G4VGB5_SCHMA Loading...

DUF5746 domain-containing protein

AlphaFold DB , UniProt , Accession G4VGB5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 258 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	39.6	Very low	41.1	Very low	206 Å²	206	160.4 Å²	160.4	100%	1.015	83%	0.834	S	S	*	*				0	125.3	0	-95	-170.5	-173.5	0	0	106.6
2	K	37.1	Very low	41.3	Very low	169 Å²	169	163.3 Å²	163.3	74%	0.735	84%	0.84	S	S	*	*				80.6	137.8	118.5	-64.9	173.8	-179.3	172.9	0	114.3
3	H	34.6	Very low	41.8	Very low	172 Å²	172	165.2 Å²	165.2	80%	0.796	84%	0.843	S	S	*	*			trans	-11.2	136	147.1	-71.3	-88.7	0	0	0	115.7
4	L	35.1	Very low	41.9	Very low	165 Å²	165	163.9 Å²	163.9	86%	0.864	84%	0.839	S	S	*	*				-154.2	128.3	123	-141.8	81.5	0	0	0	111
5	V	39.4	Very low	42.3	Very low	122 Å²	122	161.4 Å²	161.4	74%	0.739	83%	0.828	S	S	*	*			trans	-71.1	138.2	167.2	171.1	0	0	0	0	108.5
6	V	49.5	Very low	43.1	Very low	123 Å²	123	161.1 Å²	161.1	75%	0.745	83%	0.829	S	S	*	*			trans	-134.8	113.9	158.8	-179.9	0	0	0	0	107.1	V8	V6-V8 HydrophobicContact CG1-CG2 4.05Å
7	A	39.7	Very low	43.7	Very low	90 Å²	90	159.6 Å²	159.6	74%	0.744	82%	0.823	S	S	*	*			trans	-88.4	139.9	164.3	0	0	0	0	0	108
8	V	49.2	Very low	44.1	Very low	130 Å²	130	156.3 Å²	156.3	79%	0.788	81%	0.807	S	S	*	*			trans	-134.7	120.1	165.1	178.4	0	0	0	0	106	V6	V6-V8 HydrophobicContact CG1-CG2 4.05Å
9	E	43.7	Very low	44.6	Very low	193 Å²	193	153.6 Å²	153.6	90%	0.902	80%	0.798	S	S	*	*			trans	-68.7	150.7	176.3	-83.8	165.4	133.4	0	0	112
10	E	40.4	Very low	45	Very low	191 Å²	191	149.9 Å²	149.9	89%	0.893	79%	0.791	S	S	*	*			trans	-76.4	135.5	171.7	-69.9	169.1	145	0	0	110.9
11	E	44.3	Very low	45.4	Very low	203 Å²	203	147.6 Å²	147.6	95%	0.949	78%	0.779	S	S	*	*			trans	-138.7	136.7	145.5	-87.5	-170.5	162.2	0	0	109
12	E	42.7	Very low	46	Very low	195 Å²	195	143.5 Å²	143.5	91%	0.911	76%	0.76	S	S	*	*			trans	-106.9	124.2	-167.1	-170	-179.2	-153.3	0	0	108
13	E	48.3	Very low	47	Very low	189 Å²	189	142.8 Å²	142.8	88%	0.883	76%	0.76	S	S	*	*			trans	-156	120.1	162.8	-123.4	176.7	-165.7	0	0	112.6
14	D	42.6	Very low	48	Very low	146 Å²	146	137.2 Å²	137.2	78%	0.781	74%	0.74	S	S	*	*			trans	17.1	120.2	155.5	-81	-29.8	0	0	0	119.6
15	N	49.1	Very low	49	Very low	127 Å²	127	133.3 Å²	133.3	68%	0.679	72%	0.719	S	S	*	*			trans	-164	123.1	131.6	-98	-39.9	0	0	0	113.7	D17	N15-D17 PolarHBondContact O-N 3.12Å; N15-D17 VanDerWaalsContact O-N 3.12Å
16	N	55.1	Low	49.8	Very low	157 Å²	157	132.2 Å²	132.2	84%	0.84	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	23.2	-172.2	-130	-12.6	0	0	0	113.6
17	D	53.1	Low	50.1	Low	135 Å²	135	132.9 Å²	132.9	72%	0.722	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	-4.7	-179.7	-72.7	-33.1	0	0	0	112.9	N15 V19	N15-D17 PolarHBondContact O-N 3.12Å; N15-D17 VanDerWaalsContact O-N 3.12Å; D17-V19 VanDerWaalsContact C-N 3.34Å; D17-V19 PolarHBondContact O-N 3.35Å
18	D	50.5	Low	50.9	Low	100 Å²	100	133.8 Å²	133.8	54%	0.535	70%	0.697	S	S	.	*	H	α-helix	trans	-77.8	-10.1	-173.3	-69.4	-26.4	0	0	0	115	D21 L22	D18-D21 PolarHBondContact O-N 3.12Å; D18-L22 WeakPolarHBondContact O-CD1 3.36Å; D18-L22 PolarHBondContact O-N 3.46Å; D18-L22 VanDerWaalsContact O-N 3.12Å
19	V	53.9	Low	51.1	Low	106 Å²	106	135.6 Å²	135.6	64%	0.642	69%	0.69	S	S	*	*	H	α-helix	trans	-73.9	-31	-173.6	-175.4	0	0	0	0	112.2	D17	D17-V19 VanDerWaalsContact C-N 3.34Å; D17-V19 PolarHBondContact O-N 3.35Å
20	A	52.1	Low	51.7	Low	79 Å²	79	134.9 Å²	134.9	65%	0.653	68%	0.68	S	S	*	*	H	α-helix	trans	-76	-31.5	176.7	0	0	0	0	0	112.5
21	D	53.9	Low	52.5	Low	101 Å²	101	130.6 Å²	130.6	54%	0.54	66%	0.661	S	S	.	*	H	α-helix	trans	-74.5	-31	175.3	-101.1	-19.7	0	0	0	112.1	D18 E23 S24 I25	D18-D21 PolarHBondContact O-N 3.12Å; D21-E23 PolarHBondContact O-N 2.97Å; D21-S24 PolarHBondContact O-N 3.11Å; D21-S24 PolarHBondContact O-OG 3.34Å; D21-S24 VanDerWaalsContact O-OG 3.11Å; D21-I25 WeakPolarHBondContact O-CB 3.4Å; D21-I25 WeakPolarHBondContact O-CD1 3.14Å; D21-I25 WeakPolarHBondContact O-CG1 3.3Å; D21-I25 PolarHBondContact O-N 3.41Å
22	L	52.5	Low	53.4	Low	120 Å²	120	124.3 Å²	124.3	63%	0.628	64%	0.64	S	S	*	*	H	α-helix	trans	-64.4	-35	175.9	-107.7	110.1	0	0	0	113.7	D18 N26	D18-L22 WeakPolarHBondContact O-CD1 3.36Å; D18-L22 PolarHBondContact O-N 3.46Å; D18-L22 VanDerWaalsContact O-N 3.12Å; L22-N26 VanDerWaalsContact O-CB 3.3Å; L22-N26 WeakPolarHBondContact O-CB 3.36Å; L22-N26 PolarHBondContact O-N 3.05Å
23	E	58.2	Low	54.1	Low	155 Å²	155	122.1 Å²	122.1	72%	0.724	63%	0.628	S	S	*	*	H	α-helix	trans	-72.9	-36.3	175.8	-87	-168.7	153.3	0	0	112.7	D21 N26 Q27	D21-E23 PolarHBondContact O-N 2.97Å; E23-N26 PolarHBondContact O-N 3.44Å; E23-Q27 PolarHBondContact O-N 2.97Å
24	S	55.7	Low	54.7	Low	54 Å²	54	118.2 Å²	118.2	38%	0.378	61%	0.613	S	S	.	*	H	α-helix	trans	-67.9	-39.8	176.9	89.9	0	0	0	0	111.4	D21 N28	D21-S24 PolarHBondContact O-N 3.11Å; D21-S24 PolarHBondContact O-OG 3.34Å; D21-S24 VanDerWaalsContact O-OG 3.11Å; S24-N28 PolarHBondContact O-N 3.26Å; S24-N28 VanDerWaalsContact O-N 3.16Å
25	I	55.9	Low	55.4	Low	84 Å²	84	115.9 Å²	115.9	43%	0.431	60%	0.6	S	S	.	*	H	α-helix	trans	-64.7	-44.6	174.6	-68.6	166.8	0	0	0	110	D21 Q27 N28 Y29	D21-I25 WeakPolarHBondContact O-CB 3.4Å; D21-I25 WeakPolarHBondContact O-CD1 3.14Å; D21-I25 WeakPolarHBondContact O-CG1 3.3Å; D21-I25 PolarHBondContact O-N 3.41Å; I25-Q27 PolarHBondContact O-N 3.07Å; I25-N28 PolarHBondContact O-N 3.17Å; I25-Y29 HydrophobicContact CG2-CD2 3.6Å; I25-Y29 HydrophobicContact CG2-CE2 3.56Å; I25-Y29 VanDerWaalsContact O-CD2 3.24Å; I25-Y29 WeakPolarHBondContact O-CD2 3.44Å; I25-Y29 PolarHBondContact O-N 3.16Å
26	N	55.3	Low	55.9	Low	99 Å²	99	113.8 Å²	113.8	53%	0.529	59%	0.592	S	S	.	*	H	α-helix	trans	-67.1	-33.3	-178.7	-156	-5.9	0	0	0	113.1	L22 E23 R30	L22-N26 VanDerWaalsContact O-CB 3.3Å; L22-N26 WeakPolarHBondContact O-CB 3.36Å; L22-N26 PolarHBondContact O-N 3.05Å; E23-N26 PolarHBondContact O-N 3.44Å; N26-R30 PolarHBondContact O-N 3.4Å; N26-R30 VanDerWaalsContact O-N 3.07Å
27	Q	56.2	Low	56	Low	137 Å²	137	110.2 Å²	110.2	64%	0.64	57%	0.572	S	S	*	*	H	α-helix	trans	-68.9	-42.2	172.1	-77.1	-164.7	-1.9	0	0	112.6	E23 I25 Y29 R30 I31	E23-Q27 PolarHBondContact O-N 2.97Å; I25-Q27 PolarHBondContact O-N 3.07Å; Q27-Y29 VanDerWaalsContact C-N 3.33Å; Q27-Y29 PolarHBondContact O-N 3.06Å; Q27-R30 PolarHBondContact O-N 3.03Å; Q27-I31 WeakPolarHBondContact O-CG1 3.24Å; Q27-I31 PolarHBondContact O-N 3.26Å
28	N	56.8	Low	56.3	Low	109 Å²	109	108.6 Å²	108.6	58%	0.583	56%	0.563	S	S	*	*	H	α-helix	trans	-64.2	-36.4	176.3	-89.4	-23.5	0	0	0	112.7	S24 I25 S32	S24-N28 PolarHBondContact O-N 3.26Å; S24-N28 VanDerWaalsContact O-N 3.16Å; I25-N28 PolarHBondContact O-N 3.17Å; N28-S32 WeakPolarHBondContact O-CB 3.34Å; N28-S32 PolarHBondContact O-N 2.94Å; N28-S32 VanDerWaalsContact O-N 3.13Å; N28-S32 PolarHBondContact O-OG 3.42Å; N28-S32 VanDerWaalsContact O-OG 3.04Å
29	Y	53.7	Low	56.6	Low	167 Å²	167	107.9 Å²	107.9	66%	0.655	56%	0.562	S	S	*	*	H	α-helix	trans	-67.1	-38	172.4	-87.2	-76	0	0	0	112.3	I25 Q27 F33	I25-Y29 HydrophobicContact CG2-CD2 3.6Å; I25-Y29 HydrophobicContact CG2-CE2 3.56Å; I25-Y29 VanDerWaalsContact O-CD2 3.24Å; I25-Y29 WeakPolarHBondContact O-CD2 3.44Å; I25-Y29 PolarHBondContact O-N 3.16Å; Q27-Y29 VanDerWaalsContact C-N 3.33Å; Q27-Y29 PolarHBondContact O-N 3.06Å; Y29-F33 WeakPolarHBondContact O-CB 3.46Å; Y29-F33 PolarHBondContact O-N 3.34Å
30	R	56.4	Low	56.7	Low	179 Å²	179	109.2 Å²	109.2	68%	0.675	56%	0.559	S	S	*	*	H	α-helix	trans	-65.7	-42.1	176.7	-84.4	-172.9	173.4	-159.1	0.4	113.3	N26 Q27 F33 L34	N26-R30 PolarHBondContact O-N 3.4Å; N26-R30 VanDerWaalsContact O-N 3.07Å; Q27-R30 PolarHBondContact O-N 3.03Å; R30-F33 PolarHBondContact O-N 3.4Å; R30-L34 WeakPolarHBondContact O-CB 3.4Å; R30-L34 PolarHBondContact O-N 3.05Å
31	I	57.3	Low	56.9	Low	100 Å²	100	112.8 Å²	112.8	51%	0.513	56%	0.56	S	S	.	*	H	α-helix	trans	-65.5	-46.1	178.1	-63.7	170.3	0	0	0	109.8	Q27 F33 L34 D35	Q27-I31 WeakPolarHBondContact O-CG1 3.24Å; Q27-I31 PolarHBondContact O-N 3.26Å; I31-F33 VanDerWaalsContact C-N 3.32Å; I31-F33 PolarHBondContact O-N 3.13Å; I31-L34 PolarHBondContact O-N 3.04Å; I31-D35 PolarHBondContact O-N 2.86Å
32	S	61.2	Low	57	Low	71 Å²	71	111.6 Å²	111.6	50%	0.497	56%	0.557	S	S	.	*	H	α-helix	trans	-60.7	-38.7	176.3	-64.2	0	0	0	0	112.6	N28 V36	N28-S32 WeakPolarHBondContact O-CB 3.34Å; N28-S32 PolarHBondContact O-N 2.94Å; N28-S32 VanDerWaalsContact O-N 3.13Å; N28-S32 PolarHBondContact O-OG 3.42Å; N28-S32 VanDerWaalsContact O-OG 3.04Å; S32-V36 WeakPolarHBondContact O-CB 3.4Å; S32-V36 WeakPolarHBondContact O-CG2 3.49Å; S32-V36 PolarHBondContact O-N 3.46Å
33	F	59	Low	57.2	Low	149 Å²	149	112 Å²	112	65%	0.654	55%	0.554	S	S	*	*	H	α-helix	trans	-71.9	-35.5	179.5	-146.8	-95.9	0	0	0	112.7	Y29 R30 I31 L37	Y29-F33 WeakPolarHBondContact O-CB 3.46Å; Y29-F33 PolarHBondContact O-N 3.34Å; R30-F33 PolarHBondContact O-N 3.4Å; I31-F33 VanDerWaalsContact C-N 3.32Å; I31-F33 PolarHBondContact O-N 3.13Å; F33-L37 HydrophobicContact CD1-CD1 3.68Å; F33-L37 HydrophobicContact CE1-CD1 3.82Å; F33-L37 WeakPolarHBondContact O-CB 3.19Å; F33-L37 PolarHBondContact O-N 3.49Å
34	L	59.5	Low	57.2	Low	108 Å²	108	113.6 Å²	113.6	57%	0.565	55%	0.553	S	S	*	*	H	α-helix	trans	-67.1	-41.7	174.4	-100.2	149.5	0	0	0	112	R30 I31 L37 L38	R30-L34 WeakPolarHBondContact O-CB 3.4Å; R30-L34 PolarHBondContact O-N 3.05Å; I31-L34 PolarHBondContact O-N 3.04Å; L34-L37 PolarHBondContact O-N 2.95Å; L34-L38 WeakPolarHBondContact O-CB 3.31Å; L34-L38 PolarHBondContact O-N 3.02Å
35	D	58.6	Low	57.5	Low	96 Å²	96	116 Å²	116	51%	0.513	56%	0.561	S	S	.	*	H	α-helix	trans	-66.7	-38.8	175.6	-78.7	-26.5	0	0	0	112.1	I31 L37 L38 T39	I31-D35 PolarHBondContact O-N 2.86Å; D35-L37 VanDerWaalsContact C-N 3.35Å; D35-L37 PolarHBondContact O-N 3.25Å; D35-L38 PolarHBondContact O-N 3.01Å; D35-T39 WeakPolarHBondContact O-CB 3.39Å; D35-T39 VanDerWaalsContact O-CG2 3.29Å; D35-T39 WeakPolarHBondContact O-CG2 3.45Å; D35-T39 PolarHBondContact O-N 3.13Å; D35-T39 PolarHBondContact O-OG1 3.44Å
36	V	59.1	Low	58	Low	84 Å²	84	119.6 Å²	119.6	51%	0.509	57%	0.574	S	S	.	*	H	α-helix	trans	-65.9	-36.5	173.1	173	0	0	0	0	111.3	S32 T39 K40	S32-V36 WeakPolarHBondContact O-CB 3.4Å; S32-V36 WeakPolarHBondContact O-CG2 3.49Å; S32-V36 PolarHBondContact O-N 3.46Å; V36-T39 WeakPolarHBondContact CA-OG1 3.36Å; V36-T39 PolarHBondContact O-OG1 3.04Å; V36-K40 VanDerWaalsContact O-CB 3.31Å; V36-K40 WeakPolarHBondContact O-CB 3.39Å; V36-K40 PolarHBondContact O-N 3.47Å
37	L	58.2	Low	58.5	Low	82 Å²	82	119.4 Å²	119.4	43%	0.429	57%	0.569	S	S	.	*	H	α-helix	trans	-71.8	-38.9	176	-98.4	155.1	0	0	0	113.2	F33 L34 D35 K40 K41	F33-L37 HydrophobicContact CD1-CD1 3.68Å; F33-L37 HydrophobicContact CE1-CD1 3.82Å; F33-L37 WeakPolarHBondContact O-CB 3.19Å; F33-L37 PolarHBondContact O-N 3.49Å; L34-L37 PolarHBondContact O-N 2.95Å; D35-L37 VanDerWaalsContact C-N 3.35Å; D35-L37 PolarHBondContact O-N 3.25Å; L37-K40 PolarHBondContact O-N 3.07Å; L37-K41 PolarHBondContact O-N 3Å
38	L	58.3	Low	59.2	Low	100 Å²	100	115.3 Å²	115.3	52%	0.524	56%	0.559	S	S	.	*	H	α-helix	trans	-67.8	-42.4	176.6	-93	154.8	0	0	0	111.7	L34 D35 K41 T42	L34-L38 WeakPolarHBondContact O-CB 3.31Å; L34-L38 PolarHBondContact O-N 3.02Å; D35-L38 PolarHBondContact O-N 3.01Å; L38-K41 PolarHBondContact O-N 2.94Å; L38-T42 WeakPolarHBondContact O-CG2 3.29Å; L38-T42 PolarHBondContact O-N 2.75Å; L38-T42 PolarHBondContact O-OG1 3.39Å
39	T	56.7	Low	59.9	Low	85 Å²	85	117.4 Å²	117.4	52%	0.521	56%	0.56	S	S	.	*	H	α-helix	trans	-65.3	-39	174.3	50.7	0	0	0	0	111.8	D35 V36 T42 F43	D35-T39 WeakPolarHBondContact O-CB 3.39Å; D35-T39 VanDerWaalsContact O-CG2 3.29Å; D35-T39 WeakPolarHBondContact O-CG2 3.45Å; D35-T39 PolarHBondContact O-N 3.13Å; D35-T39 PolarHBondContact O-OG1 3.44Å; V36-T39 WeakPolarHBondContact CA-OG1 3.36Å; V36-T39 PolarHBondContact O-OG1 3.04Å; T39-T42 WeakPolarHBondContact CA-OG1 3.44Å; T39-T42 PolarHBondContact O-OG1 3.07Å; T39-F43 VanDerWaalsContact O-CB 3.23Å; T39-F43 WeakPolarHBondContact O-CB 3.43Å; T39-F43 PolarHBondContact O-N 3.03Å
40	K	55.8	Low	61	Low	134 Å²	134	112.2 Å²	112.2	58%	0.583	55%	0.548	S	S	*	.	H	α-helix	trans	-67.7	-37.3	177	-140.9	170.1	-169.2	173.1	0	113	V36 L37 R44	V36-K40 VanDerWaalsContact O-CB 3.31Å; V36-K40 WeakPolarHBondContact O-CB 3.39Å; V36-K40 PolarHBondContact O-N 3.47Å; L37-K40 PolarHBondContact O-N 3.07Å; K40-R44 WeakPolarHBondContact O-CG 3.44Å; K40-R44 PolarHBondContact O-N 2.94Å; K40-R44 VanDerWaalsContact O-N 3.13Å
41	K	55.7	Low	62.2	Low	155 Å²	155	108.3 Å²	108.3	67%	0.674	54%	0.539	S	S	*	.	H	α-helix	trans	-69.2	-44	175.8	-81.4	-175.7	177.8	178.4	0	112.2	L37 L38 F43 R44 L45	L37-K41 PolarHBondContact O-N 3Å; L38-K41 PolarHBondContact O-N 2.94Å; K41-F43 VanDerWaalsContact C-N 3.34Å; K41-R44 PolarHBondContact O-N 3.03Å; K41-L45 PolarHBondContact O-N 2.93Å
42	T	57	Low	63.1	Low	76 Å²	76	107 Å²	107	47%	0.466	54%	0.538	S	S	.	.	H	α-helix	trans	-67.2	-35.3	177.4	52.5	0	0	0	0	112	L38 T39 L45 K46	L38-T42 WeakPolarHBondContact O-CG2 3.29Å; L38-T42 PolarHBondContact O-N 2.75Å; L38-T42 PolarHBondContact O-OG1 3.39Å; T39-T42 WeakPolarHBondContact CA-OG1 3.44Å; T39-T42 PolarHBondContact O-OG1 3.07Å; T42-L45 PolarHBondContact O-N 3.2Å; T42-K46 WeakPolarHBondContact O-CG 3.44Å; T42-K46 PolarHBondContact O-N 3.43Å
43	F	56.7	Low	63.9	Low	129 Å²	129	106.7 Å²	106.7	57%	0.566	54%	0.535	S	S	*	.	H	α-helix	trans	-65.7	-42.5	174.6	-167.2	-98.8	0	0	0	112.6	T39 K41 L45 K46 H47	T39-F43 VanDerWaalsContact O-CB 3.23Å; T39-F43 WeakPolarHBondContact O-CB 3.43Å; T39-F43 PolarHBondContact O-N 3.03Å; K41-F43 VanDerWaalsContact C-N 3.34Å; F43-L45 PolarHBondContact O-N 3.48Å; F43-K46 PolarHBondContact O-N 3.04Å; F43-H47 AromaticContact CD1-CD2 3.77Å; F43-H47 AromaticContact CE1-CD2 3.28Å; F43-H47 WeakPolarHBondContact CE1-CD2 3.44Å; F43-H47 AromaticContact CE1-NE2 3.44Å; F43-H47 WeakPolarHBondContact CE1-NE2 3.28Å; F43-H47 AromaticContact CZ-CD2 3.53Å; F43-H47 AromaticContact CZ-NE2 3.33Å; F43-H47 VanDerWaalsContact CZ-NE2 3.33Å; F43-H47 WeakPolarHBondContact CZ-NE2 3.18Å; F43-H47 PolarHBondContact O-N 3.47Å
44	R	58.7	Low	65	Low	187 Å²	187	107.5 Å²	107.5	71%	0.706	53%	0.534	S	S	*	.	H	α-helix	trans	-65.7	-36.7	175.5	-75.8	-168.6	177.8	-161.7	0.2	112.7	K40 K41 H47 A48	K40-R44 WeakPolarHBondContact O-CG 3.44Å; K40-R44 PolarHBondContact O-N 2.94Å; K40-R44 VanDerWaalsContact O-N 3.13Å; K41-R44 PolarHBondContact O-N 3.03Å; R44-H47 PolarHBondContact O-N 2.96Å; R44-A48 WeakPolarHBondContact O-CB 3.42Å; R44-A48 PolarHBondContact O-N 3.5Å
45	L	61.1	Low	66.1	Low	106 Å²	106	106.9 Å²	106.9	56%	0.555	53%	0.531	S	S	*	.	H	α-helix	trans	-66.9	-45.5	177.6	-150.7	81.1	0	0	0	111.2	K41 T42 F43 H47 A48 Y49	K41-L45 PolarHBondContact O-N 2.93Å; T42-L45 PolarHBondContact O-N 3.2Å; F43-L45 PolarHBondContact O-N 3.48Å; L45-H47 VanDerWaalsContact C-N 3.34Å; L45-H47 PolarHBondContact O-N 3.06Å; L45-A48 PolarHBondContact O-N 3.42Å; L45-Y49 HydrophobicContact CD2-CE2 3.88Å; L45-Y49 HydrophobicContact CG-CD2 4.11Å; L45-Y49 HydrophobicContact CG-CE2 3.76Å; L45-Y49 WeakPolarHBondContact O-CD2 3.33Å; L45-Y49 PolarHBondContact O-N 3.31Å
46	K	66.1	Low	67.2	Low	158 Å²	158	106.1 Å²	106.1	69%	0.687	53%	0.529	S	S	*	.	H	α-helix	trans	-61.2	-40.3	175.5	-72.6	-178.6	178.9	-176.7	0	112.5	T42 F43 S50	T42-K46 WeakPolarHBondContact O-CG 3.44Å; T42-K46 PolarHBondContact O-N 3.43Å; F43-K46 PolarHBondContact O-N 3.04Å; K46-S50 WeakPolarHBondContact O-CB 3.23Å; K46-S50 PolarHBondContact O-N 3.27Å
47	H	66.3	Low	68.3	Low	96 Å²	96	105.8 Å²	105.8	44%	0.444	53%	0.527	S	S	.	.	H	α-helix	trans	-65	-41	174.3	-100.2	-78.6	0	0	0	112.7	F43 R44 L45 S50 I51	F43-H47 AromaticContact CD1-CD2 3.77Å; F43-H47 AromaticContact CE1-CD2 3.28Å; F43-H47 WeakPolarHBondContact CE1-CD2 3.44Å; F43-H47 AromaticContact CE1-NE2 3.44Å; F43-H47 WeakPolarHBondContact CE1-NE2 3.28Å; F43-H47 AromaticContact CZ-CD2 3.53Å; F43-H47 AromaticContact CZ-NE2 3.33Å; F43-H47 VanDerWaalsContact CZ-NE2 3.33Å; F43-H47 WeakPolarHBondContact CZ-NE2 3.18Å; F43-H47 PolarHBondContact O-N 3.47Å; R44-H47 PolarHBondContact O-N 2.96Å; L45-H47 VanDerWaalsContact C-N 3.34Å; L45-H47 PolarHBondContact O-N 3.06Å; H47-S50 PolarHBondContact O-N 2.95Å; H47-I51 WeakPolarHBondContact O-CD1 3.22Å; H47-I51 VanDerWaalsContact O-CG1 3.22Å; H47-I51 WeakPolarHBondContact O-CG1 3.4Å; H47-I51 PolarHBondContact O-N 2.94Å
48	A	71.3	Confident	69.5	Low	50 Å²	50	106.8 Å²	106.8	41%	0.413	53%	0.532	S	S	.	.	H	α-helix	trans	-62.4	-45.6	176.7	0	0	0	0	0	111.8	R44 L45 I51 C52	R44-A48 WeakPolarHBondContact O-CB 3.42Å; R44-A48 PolarHBondContact O-N 3.5Å; L45-A48 PolarHBondContact O-N 3.42Å; A48-I51 PolarHBondContact O-N 3.3Å; A48-C52 PolarHBondContact O-N 3.4Å; A48-C52 PolarHBondContact O-SG 3.45Å
49	Y	72.1	Confident	70.8	Confident	154 Å²	154	106.8 Å²	106.8	60%	0.604	53%	0.531	S	S	*	.	H	α-helix	trans	-62.9	-42.4	176.2	-80.8	-70.6	0	0	0	112.6	L45 I51 C52 C53	L45-Y49 HydrophobicContact CD2-CE2 3.88Å; L45-Y49 HydrophobicContact CG-CD2 4.11Å; L45-Y49 HydrophobicContact CG-CE2 3.76Å; L45-Y49 WeakPolarHBondContact O-CD2 3.33Å; L45-Y49 PolarHBondContact O-N 3.31Å; Y49-I51 PolarHBondContact O-N 3.49Å; Y49-C52 PolarHBondContact O-N 3Å; Y49-C53 PolarHBondContact O-N 3.49Å; Y49-C53 PolarHBondContact O-SG 3.45Å
50	S	76.6	Confident	71.9	Confident	58 Å²	58	108.7 Å²	108.7	41%	0.406	53%	0.533	S	S	.	.	H	α-helix	trans	-59.5	-46.7	175.6	-177.8	0	0	0	0	111.5	K46 H47 C52 C53 W54	K46-S50 WeakPolarHBondContact O-CB 3.23Å; K46-S50 PolarHBondContact O-N 3.27Å; H47-S50 PolarHBondContact O-N 2.95Å; S50-C52 PolarHBondContact O-N 3.45Å; S50-C53 PolarHBondContact O-N 3.36Å; S50-W54 PolarHBondContact O-N 3.49Å
51	I	80.3	Confident	73.2	Confident	97 Å²	97	106.5 Å²	106.5	50%	0.497	53%	0.531	S	S	.	.	H	α-helix	trans	-61.8	-42.9	177.2	-67.2	163.6	0	0	0	111	H47 A48 Y49 C53 W54 L55	H47-I51 WeakPolarHBondContact O-CD1 3.22Å; H47-I51 VanDerWaalsContact O-CG1 3.22Å; H47-I51 WeakPolarHBondContact O-CG1 3.4Å; H47-I51 PolarHBondContact O-N 2.94Å; A48-I51 PolarHBondContact O-N 3.3Å; Y49-I51 PolarHBondContact O-N 3.49Å; I51-C53 PolarHBondContact O-N 3.48Å; I51-W54 PolarHBondContact O-N 3.33Å; I51-L55 HydrophobicContact CG2-CD1 4.27Å; I51-L55 WeakPolarHBondContact O-CG 3.45Å; I51-L55 PolarHBondContact O-N 2.98Å
52	C	77.8	Confident	74.5	Confident	72 Å²	72	101.3 Å²	101.3	49%	0.486	52%	0.517	S	S	.	.	H	α-helix	trans	-61.2	-42.8	176.1	-71.6	0	0	0	0	112.4	A48 Y49 S50 W54 L55 V56	A48-C52 PolarHBondContact O-N 3.4Å; A48-C52 PolarHBondContact O-SG 3.45Å; Y49-C52 PolarHBondContact O-N 3Å; S50-C52 PolarHBondContact O-N 3.45Å; C52-W54 PolarHBondContact O-N 3Å; C52-L55 PolarHBondContact O-N 2.91Å; C52-V56 WeakPolarHBondContact O-CG2 3.2Å; C52-V56 PolarHBondContact O-N 3.5Å; C52-V56 VanDerWaalsContact O-N 3.07Å
53	C	77.5	Confident	75.7	Confident	64 Å²	64	102.2 Å²	102.2	43%	0.432	52%	0.517	S	S	.	.	H	α-helix	trans	-61.6	-44	175.6	-74	0	0	0	0	111.7	Y49 S50 I51 L55 V56 V57	Y49-C53 PolarHBondContact O-N 3.49Å; Y49-C53 PolarHBondContact O-SG 3.45Å; S50-C53 PolarHBondContact O-N 3.36Å; I51-C53 PolarHBondContact O-N 3.48Å; C53-L55 VanDerWaalsContact C-N 3.35Å; C53-L55 PolarHBondContact O-N 3.26Å; C53-V56 PolarHBondContact O-N 3.46Å; C53-V57 WeakPolarHBondContact O-CG2 3.42Å; C53-V57 PolarHBondContact O-N 3.07Å
54	W	81	Confident	76.6	Confident	167 Å²	167	98.1 Å²	98.1	63%	0.633	51%	0.507	S	S	*	.	H	α-helix	trans	-63.5	-38.5	176.1	-81.1	105.5	0	0	0	112.7	S50 I51 C52 V56 V57 I58	S50-W54 PolarHBondContact O-N 3.49Å; I51-W54 PolarHBondContact O-N 3.33Å; C52-W54 PolarHBondContact O-N 3Å; W54-V56 PolarHBondContact O-N 3.31Å; W54-V57 PolarHBondContact O-N 3.27Å; W54-I58 WeakPolarHBondContact O-CB 3.43Å; W54-I58 VanDerWaalsContact O-CG1 3.22Å; W54-I58 WeakPolarHBondContact O-CG1 3.22Å; W54-I58 PolarHBondContact O-N 3.02Å
55	L	83.4	Confident	77.5	Confident	94 Å²	94	96.8 Å²	96.8	49%	0.492	50%	0.503	S	S	.	.	H	α-helix	trans	-62	-42.4	174.7	-73.9	173.6	0	0	0	112	I51 C52 C53 V57 I58 I59	I51-L55 HydrophobicContact CG2-CD1 4.27Å; I51-L55 WeakPolarHBondContact O-CG 3.45Å; I51-L55 PolarHBondContact O-N 2.98Å; C52-L55 PolarHBondContact O-N 2.91Å; C53-L55 VanDerWaalsContact C-N 3.35Å; C53-L55 PolarHBondContact O-N 3.26Å; L55-V57 PolarHBondContact O-N 2.93Å; L55-I58 PolarHBondContact O-N 3.29Å; L55-I59 WeakPolarHBondContact O-CB 3.46Å; L55-I59 WeakPolarHBondContact O-CD1 3.39Å; L55-I59 WeakPolarHBondContact O-CG1 3.42Å; L55-I59 PolarHBondContact O-N 3.06Å
56	V	82.6	Confident	78.3	Confident	81 Å²	81	96.5 Å²	96.5	49%	0.491	50%	0.502	S	S	.	.	H	α-helix	trans	-62.6	-43.4	176.5	174.3	0	0	0	0	111	C52 C53 W54 I59 F60	C52-V56 WeakPolarHBondContact O-CG2 3.2Å; C52-V56 PolarHBondContact O-N 3.5Å; C52-V56 VanDerWaalsContact O-N 3.07Å; C53-V56 PolarHBondContact O-N 3.46Å; W54-V56 PolarHBondContact O-N 3.31Å; V56-I59 PolarHBondContact O-N 3.1Å; V56-F60 WeakPolarHBondContact O-CB 3.44Å; V56-F60 PolarHBondContact O-N 2.93Å
57	V	81.6	Confident	78.6	Confident	77 Å²	77	93 Å²	93	47%	0.467	49%	0.494	S	S	.	.	H	α-helix	trans	-63.6	-44.6	177.1	175.3	0	0	0	0	111.2	C53 W54 L55 F60 V61	C53-V57 WeakPolarHBondContact O-CG2 3.42Å; C53-V57 PolarHBondContact O-N 3.07Å; W54-V57 PolarHBondContact O-N 3.27Å; L55-V57 PolarHBondContact O-N 2.93Å; V57-F60 PolarHBondContact O-N 3.3Å; V57-V61 HydrophobicContact CG1-CG2 4.39Å; V57-V61 WeakPolarHBondContact O-CG2 3.37Å; V57-V61 PolarHBondContact O-N 3.33Å
58	I	83.8	Confident	78.5	Confident	103 Å²	103	94.9 Å²	94.9	53%	0.528	50%	0.501	S	S	.	.	H	α-helix	trans	-62.9	-44.4	178.4	-69.4	165.4	0	0	0	111	W54 L55 F60 V61 A62	W54-I58 WeakPolarHBondContact O-CB 3.43Å; W54-I58 VanDerWaalsContact O-CG1 3.22Å; W54-I58 WeakPolarHBondContact O-CG1 3.22Å; W54-I58 PolarHBondContact O-N 3.02Å; L55-I58 PolarHBondContact O-N 3.29Å; I58-F60 VanDerWaalsContact C-N 3.31Å; I58-F60 PolarHBondContact O-N 3.37Å; I58-V61 PolarHBondContact O-N 2.88Å; I58-A62 WeakPolarHBondContact O-CB 3.28Å; I58-A62 PolarHBondContact O-N 3.46Å
59	I	84.3	Confident	78.2	Confident	99 Å²	99	94.6 Å²	94.6	51%	0.508	49%	0.494	S	S	.	.	H	α-helix	trans	-60.5	-43.4	176.1	-69.5	164.9	0	0	0	110.2	L55 V56 A62 I63	L55-I59 WeakPolarHBondContact O-CB 3.46Å; L55-I59 WeakPolarHBondContact O-CD1 3.39Å; L55-I59 WeakPolarHBondContact O-CG1 3.42Å; L55-I59 PolarHBondContact O-N 3.06Å; V56-I59 PolarHBondContact O-N 3.1Å; I59-A62 PolarHBondContact O-N 2.9Å; I59-I63 HydrophobicContact CG2-CD1 3.77Å; I59-I63 HydrophobicContact CG2-CG1 4.45Å; I59-I63 VanDerWaalsContact O-CG1 3.28Å; I59-I63 WeakPolarHBondContact O-CG1 3.34Å; I59-I63 PolarHBondContact O-N 3.24Å
60	F	81	Confident	77.5	Confident	125 Å²	125	92.2 Å²	92.2	55%	0.548	49%	0.492	S	S	.	.	H	α-helix	trans	-63.8	-45.8	178.6	-171.3	-95.9	0	0	0	112.2	V56 V57 I58 A62 I63 A64 F246	V56-F60 WeakPolarHBondContact O-CB 3.44Å; V56-F60 PolarHBondContact O-N 2.93Å; V57-F60 PolarHBondContact O-N 3.3Å; I58-F60 VanDerWaalsContact C-N 3.31Å; I58-F60 PolarHBondContact O-N 3.37Å; F60-A62 VanDerWaalsContact C-N 3.32Å; F60-A62 PolarHBondContact O-N 2.95Å; F60-I63 PolarHBondContact O-N 3.36Å; F60-A64 WeakPolarHBondContact O-CB 3.32Å; F60-A64 PolarHBondContact O-N 3.27Å; F60-F246 HydrophobicContact CE2-CZ 4.06Å
61	V	82.8	Confident	76.3	Confident	89 Å²	89	98.2 Å²	98.2	54%	0.539	51%	0.507	S	S	.	.	H	α-helix	trans	-62.3	-40.5	176.3	173.7	0	0	0	0	110.8	V57 I58 A64 Y65	V57-V61 HydrophobicContact CG1-CG2 4.39Å; V57-V61 WeakPolarHBondContact O-CG2 3.37Å; V57-V61 PolarHBondContact O-N 3.33Å; I58-V61 PolarHBondContact O-N 2.88Å; V61-A64 PolarHBondContact O-N 2.71Å; V61-Y65 VanDerWaalsContact O-CB 3.29Å; V61-Y65 WeakPolarHBondContact O-CB 3.38Å; V61-Y65 PolarHBondContact O-N 3.34Å
62	A	83.1	Confident	74.8	Confident	46 Å²	46	97.6 Å²	97.6	38%	0.38	50%	0.504	S	S	.	.	H	α-helix	trans	-63.2	-43.7	176.1	0	0	0	0	0	112.2	I58 I59 F60 Y65 L66	I58-A62 WeakPolarHBondContact O-CB 3.28Å; I58-A62 PolarHBondContact O-N 3.46Å; I59-A62 PolarHBondContact O-N 2.9Å; F60-A62 VanDerWaalsContact C-N 3.32Å; F60-A62 PolarHBondContact O-N 2.95Å; A62-Y65 PolarHBondContact O-N 3.44Å; A62-L66 WeakPolarHBondContact O-CB 3.48Å; A62-L66 WeakPolarHBondContact O-CG 3.34Å; A62-L66 PolarHBondContact O-N 3.12Å
63	I	81.4	Confident	73.4	Confident	94 Å²	94	101.9 Å²	101.9	48%	0.482	52%	0.515	S	S	.	.	H	α-helix	trans	-64.8	-43.7	175.7	-67.1	166.9	0	0	0	110.7	I59 F60 Y65 L66 T67	I59-I63 HydrophobicContact CG2-CD1 3.77Å; I59-I63 HydrophobicContact CG2-CG1 4.45Å; I59-I63 VanDerWaalsContact O-CG1 3.28Å; I59-I63 WeakPolarHBondContact O-CG1 3.34Å; I59-I63 PolarHBondContact O-N 3.24Å; F60-I63 PolarHBondContact O-N 3.36Å; I63-Y65 VanDerWaalsContact C-N 3.32Å; I63-Y65 PolarHBondContact O-N 2.9Å; I63-L66 PolarHBondContact O-N 3.41Å; I63-T67 HydrophobicContact CG2-CG2 4.46Å; I63-T67 WeakPolarHBondContact O-CB 3.38Å; I63-T67 WeakPolarHBondContact O-CG2 3.27Å; I63-T67 PolarHBondContact O-N 3.37Å; I63-T67 PolarHBondContact O-OG1 2.89Å
64	A	76.8	Confident	72	Confident	43 Å²	43	106.2 Å²	106.2	36%	0.355	53%	0.528	S	S	.	.	H	α-helix	trans	-63.3	-39.2	176.8	0	0	0	0	0	111.7	F60 V61 T67 K68	F60-A64 WeakPolarHBondContact O-CB 3.32Å; F60-A64 PolarHBondContact O-N 3.27Å; V61-A64 PolarHBondContact O-N 2.71Å; A64-T67 WeakPolarHBondContact CA-OG1 3.42Å; A64-T67 PolarHBondContact O-OG1 3.1Å; A64-K68 WeakPolarHBondContact O-CB 3.37Å; A64-K68 PolarHBondContact O-N 3.46Å
65	Y	77.5	Confident	70.3	Confident	159 Å²	159	102 Å²	102	62%	0.624	52%	0.524	S	S	*	.	H	α-helix	trans	-69.4	-41.6	175.9	-166.4	-94.9	0	0	0	112	V61 A62 I63 K68 T69	V61-Y65 VanDerWaalsContact O-CB 3.29Å; V61-Y65 WeakPolarHBondContact O-CB 3.38Å; V61-Y65 PolarHBondContact O-N 3.34Å; A62-Y65 PolarHBondContact O-N 3.44Å; I63-Y65 VanDerWaalsContact C-N 3.32Å; I63-Y65 PolarHBondContact O-N 2.9Å; Y65-K68 PolarHBondContact O-N 3.47Å; Y65-T69 HydrophobicContact CD1-CG2 3.75Å; Y65-T69 HydrophobicContact CE1-CG2 3.39Å; Y65-T69 HydrophobicContact CE2-CG2 4.5Å; Y65-T69 HydrophobicContact CG-CG2 4.44Å; Y65-T69 WeakPolarHBondContact O-CB 3.34Å; Y65-T69 WeakPolarHBondContact O-CG2 3.41Å; Y65-T69 PolarHBondContact O-N 3.35Å; Y65-T69 PolarHBondContact O-OG1 2.95Å
66	L	76.2	Confident	68.5	Low	100 Å²	100	103.9 Å²	103.9	52%	0.524	54%	0.535	S	S	.	.	H	α-helix	trans	-61.8	-43.9	174.3	-82.7	162.5	0	0	0	111.9	A62 I63 T69 N70	A62-L66 WeakPolarHBondContact O-CB 3.48Å; A62-L66 WeakPolarHBondContact O-CG 3.34Å; A62-L66 PolarHBondContact O-N 3.12Å; I63-L66 PolarHBondContact O-N 3.41Å; L66-T69 WeakPolarHBondContact CA-OG1 3.35Å; L66-T69 PolarHBondContact O-OG1 3.36Å; L66-T69 VanDerWaalsContact O-OG1 3.07Å; L66-N70 VanDerWaalsContact O-CB 3.27Å; L66-N70 WeakPolarHBondContact O-CB 3.29Å; L66-N70 PolarHBondContact O-N 3.13Å; L66-N70 PolarHBondContact O-ND2 3.28Å
67	T	72.5	Confident	66.5	Low	85 Å²	85	105.1 Å²	105.1	52%	0.521	54%	0.538	S	S	.	.	H	α-helix	trans	-65.3	-41.4	176.7	50.7	0	0	0	0	111.5	I63 A64 Y71	I63-T67 HydrophobicContact CG2-CG2 4.46Å; I63-T67 WeakPolarHBondContact O-CB 3.38Å; I63-T67 WeakPolarHBondContact O-CG2 3.27Å; I63-T67 PolarHBondContact O-N 3.37Å; I63-T67 PolarHBondContact O-OG1 2.89Å; A64-T67 WeakPolarHBondContact CA-OG1 3.42Å; A64-T67 PolarHBondContact O-OG1 3.1Å; T67-Y71 WeakPolarHBondContact O-CB 3.34Å; T67-Y71 PolarHBondContact O-N 3.01Å
68	K	66.1	Low	64.4	Low	135 Å²	135	106.6 Å²	106.6	59%	0.587	55%	0.55	S	S	*	.	H	α-helix	trans	-66.9	-43.3	176.1	-170.8	178.8	-178.6	-179.5	0	113	A64 Y65 Y71 L72	A64-K68 WeakPolarHBondContact O-CB 3.37Å; A64-K68 PolarHBondContact O-N 3.46Å; Y65-K68 PolarHBondContact O-N 3.47Å; K68-Y71 WeakPolarHBondContact O-CB 3.39Å; K68-Y71 PolarHBondContact O-N 2.81Å; K68-L72 HydrophobicContact CG-CD1 4.1Å; K68-L72 WeakPolarHBondContact O-CG 3.35Å; K68-L72 PolarHBondContact O-N 2.88Å
69	T	63.5	Low	62.5	Low	45 Å²	45	109.3 Å²	109.3	28%	0.276	56%	0.564	S	S	.	*	H	α-helix	trans	-68.1	-39.1	178.5	48.4	0	0	0	0	111.7	Y65 L66 Y71 L72 K73	Y65-T69 HydrophobicContact CD1-CG2 3.75Å; Y65-T69 HydrophobicContact CE1-CG2 3.39Å; Y65-T69 HydrophobicContact CE2-CG2 4.5Å; Y65-T69 HydrophobicContact CG-CG2 4.44Å; Y65-T69 WeakPolarHBondContact O-CB 3.34Å; Y65-T69 WeakPolarHBondContact O-CG2 3.41Å; Y65-T69 PolarHBondContact O-N 3.35Å; Y65-T69 PolarHBondContact O-OG1 2.95Å; L66-T69 WeakPolarHBondContact CA-OG1 3.35Å; L66-T69 PolarHBondContact O-OG1 3.36Å; L66-T69 VanDerWaalsContact O-OG1 3.07Å; T69-Y71 VanDerWaalsContact C-N 3.29Å; T69-Y71 PolarHBondContact O-N 3.07Å; T69-L72 PolarHBondContact O-N 3.35Å; T69-K73 VanDerWaalsContact O-CB 3.23Å; T69-K73 WeakPolarHBondContact O-CB 3.2Å; T69-K73 PolarHBondContact O-N 2.85Å
70	N	58.1	Low	60.5	Low	104 Å²	104	109.9 Å²	109.9	56%	0.556	57%	0.571	S	S	*	*	H	α-helix	trans	-62.8	-38.3	171.6	-74	-33.8	0	0	0	111.6	L66 H74	L66-N70 VanDerWaalsContact O-CB 3.27Å; L66-N70 WeakPolarHBondContact O-CB 3.29Å; L66-N70 PolarHBondContact O-N 3.13Å; L66-N70 PolarHBondContact O-ND2 3.28Å; N70-H74 PolarHBondContact O-N 2.81Å
71	Y	50.4	Low	59.2	Low	184 Å²	184	109.9 Å²	109.9	72%	0.722	57%	0.571	S	S	*	*	H	α-helix	trans	-65.1	-44.8	174.8	-164.8	-90.1	0	0	0	112.3	T67 K68 T69 H74 S75	T67-Y71 WeakPolarHBondContact O-CB 3.34Å; T67-Y71 PolarHBondContact O-N 3.01Å; K68-Y71 WeakPolarHBondContact O-CB 3.39Å; K68-Y71 PolarHBondContact O-N 2.81Å; T69-Y71 VanDerWaalsContact C-N 3.29Å; T69-Y71 PolarHBondContact O-N 3.07Å; Y71-H74 PolarHBondContact O-N 3.35Å; Y71-S75 PolarHBondContact O-N 2.88Å
72	L	49.1	Very low	58	Low	83 Å²	83	112.3 Å²	112.3	44%	0.435	58%	0.577	S	S	.	*	H	α-helix	trans	-71.1	-37.3	179.1	-74.5	168.7	0	0	0	112.9	K68 T69 H74 S75 N76	K68-L72 HydrophobicContact CG-CD1 4.1Å; K68-L72 WeakPolarHBondContact O-CG 3.35Å; K68-L72 PolarHBondContact O-N 2.88Å; T69-L72 PolarHBondContact O-N 3.35Å; L72-H74 PolarHBondContact O-N 2.87Å; L72-S75 WeakPolarHBondContact O-CB 3.35Å; L72-S75 PolarHBondContact O-N 3.38Å; L72-N76 PolarHBondContact O-N 2.94Å
73	K	48.5	Very low	57.2	Low	163 Å²	163	113.6 Å²	113.6	71%	0.709	58%	0.58	S	S	*	*	H	α-helix	trans	-65.8	-26.4	175.3	-163.4	174.3	-175.8	179.9	0	111.7	T69	T69-K73 VanDerWaalsContact O-CB 3.23Å; T69-K73 WeakPolarHBondContact O-CB 3.2Å; T69-K73 PolarHBondContact O-N 2.85Å
74	H	48.1	Very low	56.7	Low	154 Å²	154	110.9 Å²	110.9	71%	0.713	57%	0.565	S	S	*	*	H	α-helix	trans	-77.7	-20	170.1	-128.8	63.3	0	0	0	113.5	N70 Y71 L72	N70-H74 PolarHBondContact O-N 2.81Å; Y71-H74 PolarHBondContact O-N 3.35Å; L72-H74 PolarHBondContact O-N 2.87Å
75	S	45.9	Very low	56.8	Low	78 Å²	78	110.5 Å²	110.5	55%	0.545	56%	0.556	S	S	.	*	H	α-helix	trans	-89.3	-24.7	-176.8	-173.7	0	0	0	0	114.5	Y71 L72	Y71-S75 PolarHBondContact O-N 2.88Å; L72-S75 WeakPolarHBondContact O-CB 3.35Å; L72-S75 PolarHBondContact O-N 3.38Å
76	N	46.1	Very low	56.8	Low	134 Å²	134	103 Å²	103	72%	0.717	53%	0.527	S	S	*	.	S	Bend	trans	-95.8	3.2	-173.3	-80.6	-13.5	0	0	0	115	L72	L72-N76 PolarHBondContact O-N 2.94Å
77	N	39.6	Very low	56.7	Low	107 Å²	107	99.7 Å²	99.7	57%	0.572	51%	0.508	S	S	*	.	S	Bend	trans	-75.9	139.6	168	-73	-21.3	0	0	0	108.8	I79	N77-I79 PolarHBondContact O-N 3.46Å
78	P	38.1	Very low	56.7	Low	109 Å²	109	97.4 Å²	97.4	71%	0.708	49%	0.493	S	S	*	.			trans	-51.1	132	169.9	23.2	-32.2	0	0	0	107.7	V80	P78-V80 PolarHBondContact O-N 2.83Å
79	I	43.4	Very low	56.6	Low	159 Å²	159	91.2 Å²	91.2	82%	0.815	47%	0.467	S	S	*	.			trans	-68	73.3	177.1	-51	171.3	0	0	0	107.3	N77 K81	N77-I79 PolarHBondContact O-N 3.46Å; I79-K81 VanDerWaalsContact C-N 3.32Å; I79-K81 HydrophobicContact CG2-CG 4.5Å; I79-K81 PolarHBondContact O-N 3.41Å; I79-K81 VanDerWaalsContact O-N 3.08Å
80	V	43.4	Very low	56.3	Low	111 Å²	111	90.1 Å²	90.1	67%	0.673	46%	0.459	S	S	*	.			trans	-60.3	109.8	149.1	-176	0	0	0	0	102.2	P78 Q82	P78-V80 PolarHBondContact O-N 2.83Å; V80-Q82 PolarHBondContact O-N 3Å
81	K	53.7	Low	56.4	Low	126 Å²	126	86.1 Å²	86.1	55%	0.548	44%	0.438	S	S	.	.			trans	-54.9	90.1	174.7	-90	-177.2	175.1	-178.6	0	107	I79 T83 I168	I79-K81 VanDerWaalsContact C-N 3.32Å; I79-K81 HydrophobicContact CG2-CG 4.5Å; I79-K81 PolarHBondContact O-N 3.41Å; I79-K81 VanDerWaalsContact O-N 3.08Å; K81-T83 PolarHBondContact O-N 3.09Å; K81-I168 HydrophobicContact CD-CB 4.15Å; K81-I168 VanDerWaalsContact CD-O 3.3Å; K81-I168 WeakPolarHBondContact CD-O 3.48Å; K81-I168 WeakPolarHBondContact CE-O 3.46Å; K81-I168 PolarHBondContact NZ-O 3.43Å
82	Q	56.3	Low	56.5	Low	139 Å²	139	80.3 Å²	80.3	65%	0.65	42%	0.415	S	S	*	.			trans	-62.7	130.3	176.4	-74.4	-174.2	-9.4	0	0	105.5	V80 Q84	V80-Q82 PolarHBondContact O-N 3Å; Q82-Q84 PolarHBondContact O-N 3.49Å
83	T	66	Low	56.6	Low	73 Å²	73	78.6 Å²	78.6	45%	0.448	41%	0.413	S	S	.	.			trans	-55.8	109.5	174.4	46.4	0	0	0	0	107.4	K81 H85	K81-T83 PolarHBondContact O-N 3.09Å; T83-H85 PolarHBondContact O-CD2 2.94Å; T83-H85 VanDerWaalsContact O-CD2 3.26Å
84	Q	72.4	Confident	56.6	Low	38 Å²	38	72.5 Å²	72.5	18%	0.178	39%	0.391	C	S	.	.			trans	-72.9	142	-179.3	-69.5	-177.6	-20.2	0	0	108.8	Q82 C165 Y170 D171 G172	Q82-Q84 PolarHBondContact O-N 3.49Å; Q84-C165 HydrophobicContact CB-CB 4.22Å; Q84-C165 VanDerWaalsContact O-CB 3.3Å; Q84-C165 WeakPolarHBondContact O-CB 3.29Å; Q84-C165 PolarHBondContact O-N 2.97Å; Q84-C165 PolarHBondContact O-SG 3.37Å; Q84-Y170 PolarHBondContact OE1-O 3.29Å; Q84-Y170 VanDerWaalsContact OE1-O 3.11Å; Q84-D171 PolarHBondContact NE2-O 3.43Å; Q84-D171 PolarHBondContact OE1-O 2.91Å; Q84-G172 VanDerWaalsContact OE1-CA 3.27Å
85	H	77.6	Confident	56.7	Low	35 Å²	35	69.1 Å²	69.1	16%	0.162	38%	0.378	C	S	.	.	B	Isolated β-bridge	trans	-109.6	132.3	170.9	-67.1	-104.1	0	0	0	109.6	T83 Y162 G163 N231 F232	T83-H85 PolarHBondContact O-CD2 2.94Å; T83-H85 VanDerWaalsContact O-CD2 3.26Å; H85-Y162 PolarHBondContact ND1-O 3.17Å; H85-G163 CarbonylContact C-O 3.47Å; H85-G163 VanDerWaalsContact CA-O 3.25Å; H85-G163 WeakPolarHBondContact CA-O 3.17Å; H85-N231 HydrophobicContact CB-CB 4.41Å; H85-N231 PolarHBondContact N-OD1 3.37Å; H85-N231 CarbonylContact O-C 3.48Å; H85-N231 VanDerWaalsContact O-CA 3.31Å; H85-N231 WeakPolarHBondContact O-CA 3.31Å; H85-F232 HydrophobicContact CB-CD2 4.02Å; H85-F232 HydrophobicContact CB-CE1 4.13Å; H85-F232 HydrophobicContact CB-CE2 3.44Å; H85-F232 VanDerWaalsContact CB-CE2 3.44Å; H85-F232 HydrophobicContact CB-CZ 3.52Å; H85-F232 PolarHBondContact O-N 3.18Å
86	C	78.6	Confident	56.5	Low	0 Å²	0	68 Å²	68	0%	0	37%	0.37	C	S	.	.			trans	-129	152.4	178	-63.7	0	0	0	0	110	V88 G163 C165 C173	C86-V88 PolarHBondContact O-N 3.33Å; C86-G163 PolarHBondContact N-O 3.01Å; C86-G163 WeakPolarHBondContact O-CA 3.35Å; C86-C165 PolarHBondContact SG-SG 2.04Å; C86-C173 WeakPolarHBondContact CA-SG 3.3Å; C86-C173 HydrophobicContact CB-CB 3.75Å; C86-C173 WeakPolarHBondContact CB-SG 3.34Å; C86-C173 WeakPolarHBondContact SG-CA 3.23Å; C86-C173 WeakPolarHBondContact SG-CB 3.43Å; C86-C173 CovalentContact SG-SG 2.02Å; C86-C173 PolarHBondContact SG-SG 3.47Å
87	Y	73.6	Confident	56.3	Low	32 Å²	32	69.1 Å²	69.1	13%	0.125	37%	0.371	C	S	.	.			trans	-65.1	126.4	163.1	-70.4	-76.7	0	0	0	108.6	I153 I157 Y162 R199 T200 F232 N234 H235	Y87-I153 HydrophobicContact CE1-CG2 3.72Å; Y87-I157 HydrophobicContact CE1-CD1 3.84Å; Y87-I157 HydrophobicContact CE1-CG1 4.2Å; Y87-I157 WeakPolarHBondContact OH-CD1 3.44Å; Y87-Y162 HydrophobicContact CD1-CE1 4.24Å; Y87-R199 CarbonylContact O-C 3.55Å; Y87-R199 VanDerWaalsContact O-C 3.24Å; Y87-R199 WeakPolarHBondContact O-CB 3.49Å; Y87-T200 PolarHBondContact O-N 3.19Å; Y87-F232 HydrophobicContact CD1-CD1 4.13Å; Y87-F232 HydrophobicContact CD2-CB 4.04Å; Y87-F232 AromaticContact CD2-CD1 3.91Å; Y87-F232 HydrophobicContact CD2-CD1 3.91Å; Y87-F232 HydrophobicContact CD2-CG 4.48Å; Y87-F232 HydrophobicContact CE1-CD1 4.09Å; Y87-F232 HydrophobicContact CE2-CB 3.54Å; Y87-F232 AromaticContact CE2-CD1 3.86Å; Y87-F232 HydrophobicContact CE2-CD1 3.86Å; Y87-F232 HydrophobicContact CE2-CG 4.11Å; Y87-F232 WeakPolarHBondContact CE2-O 3.35Å; Y87-F232 HydrophobicContact CG-CD1 4.06Å; Y87-F232 AromaticContact CZ-CD1 3.95Å; Y87-N234 WeakPolarHBondContact CB-OD1 3.28Å; Y87-N234 WeakPolarHBondContact CD2-OD1 3.37Å; Y87-N234 PolarHBondContact N-OD1 2.96Å; Y87-N234 PolarHBondContact O-ND2 2.82Å; Y87-H235 HydrophobicContact CD2-CB 4.32Å; Y87-H235 HydrophobicContact CE2-CB 3.8Å
88	V	71.3	Confident	56.1	Low	37 Å²	37	67.7 Å²	67.7	22%	0.224	37%	0.369	C	S	.	.			trans	-112.3	106.3	174.5	-179.5	0	0	0	0	107.1	C86 V117 Y162 R199	C86-V88 PolarHBondContact O-N 3.33Å; V88-V117 WeakPolarHBondContact CG1-O 3.5Å; V88-Y162 PolarHBondContact O-OH 2.94Å; V88-R199 WeakPolarHBondContact CA-O 3.42Å
89	C	65.8	Low	55.7	Low	5 Å²	5	68.1 Å²	68.1	3%	0.034	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	141.4	-176.5	59.5	0	0	0	0	112.9	C144 S198 R199	C89-C144 HydrophobicContact CB-CB 3.49Å; C89-C144 VanDerWaalsContact CB-CB 3.49Å; C89-C144 WeakPolarHBondContact CB-SG 2.69Å; C89-S198 CarbonylContact O-C 3.43Å; C89-S198 WeakPolarHBondContact O-CA 3.33Å; C89-R199 PolarHBondContact N-O 3.12Å; C89-R199 PolarHBondContact O-N 3.39Å; C89-R199 WeakPolarHBondContact SG-CB 3.45Å; C89-R199 WeakPolarHBondContact SG-CD 3.28Å; C89-R199 WeakPolarHBondContact SG-CG 3.48Å; C89-R199 PolarHBondContact SG-NH1 2.97Å
90	D	57.3	Low	55.2	Low	21 Å²	21	64.2 Å²	64.2	11%	0.112	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	122.9	166.1	-64.9	-51.1	0	0	0	109.9	P116 V117 S198	D90-P116 WeakPolarHBondContact OD2-CA 3.21Å; D90-V117 PolarHBondContact OD2-N 3.08Å; D90-S198 VanDerWaalsContact OD1-CA 3.27Å; D90-S198 WeakPolarHBondContact OD1-CA 3.25Å; D90-S198 WeakPolarHBondContact OD1-CB 3.39Å; D90-S198 PolarHBondContact OD1-OG 2.97Å
91	N	59.6	Low	54.7	Low	20 Å²	20	64.5 Å²	64.5	11%	0.107	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	133.8	170.4	-67.5	-69.5	0	0	0	110.2	C144 S145 V196 V197	N91-C144 VanDerWaalsContact CG-C 3.4Å; N91-C144 VanDerWaalsContact CG-CB 3.42Å; N91-C144 WeakPolarHBondContact ND2-CB 3.21Å; N91-C144 PolarHBondContact ND2-O 2.96Å; N91-C144 WeakPolarHBondContact OD1-CA 3.5Å; N91-C144 WeakPolarHBondContact OD1-CB 3.46Å; N91-C144 PolarHBondContact OD1-O 2.82Å; N91-S145 WeakPolarHBondContact OD1-CA 3.48Å; N91-S145 PolarHBondContact OD1-N 3.24Å; N91-V196 CarbonylContact O-C 3.52Å; N91-V196 WeakPolarHBondContact O-CA 3.17Å; N91-V196 WeakPolarHBondContact O-CG1 3.35Å; N91-V197 HydrophobicContact CB-CB 4.3Å; N91-V197 PolarHBondContact N-O 3.5Å; N91-V197 PolarHBondContact O-N 3.35Å
92	Y	51.7	Low	54	Low	62 Å²	62	69.2 Å²	69.2	24%	0.243	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	119.7	168.9	-174.5	-90.3	0	0	0	109.1	P103 L109 A194 V196	Y92-P103 HydrophobicContact CD1-CB 3.9Å; Y92-P103 HydrophobicContact CD1-CG 4.27Å; Y92-P103 HydrophobicContact CE1-CB 4.28Å; Y92-L109 WeakPolarHBondContact OH-CD1 3.42Å; Y92-A194 HydrophobicContact CE2-CB 3.98Å; Y92-A194 VanDerWaalsContact OH-CB 3.31Å; Y92-A194 WeakPolarHBondContact OH-CB 3.08Å; Y92-V196 HydrophobicContact CD2-CG2 3.54Å; Y92-V196 HydrophobicContact CE2-CG2 3.83Å
93	A	52.1	Low	53	Low	48 Å²	48	66 Å²	66	40%	0.397	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	111	170.6	0	0	0	0	0	109.2	A194 V195	A93-A194 CarbonylContact O-C 3.58Å; A93-A194 VanDerWaalsContact O-CA 3.28Å; A93-A194 WeakPolarHBondContact O-CA 3.19Å; A93-V195 PolarHBondContact N-O 3.43Å; A93-V195 PolarHBondContact O-N 3.34Å
94	S	48.3	Very low	51.4	Low	34 Å²	34	63.9 Å²	63.9	24%	0.238	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	131.8	164.4	49.5	0	0	0	0	109.5
95	L	49.8	Very low	49.8	Very low	83 Å²	83	68.6 Å²	68.6	44%	0.435	40%	0.399	S	S	.	.			trans	-107	25	-176.8	-67.3	169.6	0	0	0	112.7	E97 L192 S193 V195	L95-E97 PolarHBondContact O-N 3.47Å; L95-L192 HydrophobicContact CD1-CB 4.49Å; L95-L192 HydrophobicContact CD1-CD2 3.4Å; L95-L192 VanDerWaalsContact CD1-CD2 3.4Å; L95-L192 HydrophobicContact CD1-CG 3.77Å; L95-S193 PolarHBondContact N-O 3.12Å; L95-V195 HydrophobicContact CD1-CG2 4.05Å
96	S	42.4	Very low	47.5	Very low	55 Å²	55	70.6 Å²	70.6	39%	0.385	43%	0.428	S	S	.	.			trans	-69.7	119.8	174.7	60.7	0	0	0	0	110.6	S98	S96-S98 PolarHBondContact O-N 3.15Å; S96-S98 VanDerWaalsContact O-N 3.13Å
97	E	40.6	Very low	45.2	Very low	157 Å²	157	72 Å²	72	73%	0.734	44%	0.437	S	S	*	.	S	Bend	trans	-64.8	-5.5	179.5	-82.6	168.2	140.8	0	0	115.1	L95 S99 R184	L95-E97 PolarHBondContact O-N 3.47Å; E97-S99 PolarHBondContact O-N 3.21Å; E97-R184 IonicContact OE2-CZ 3.3Å; E97-R184 VanDerWaalsContact OE2-CZ 3.3Å; E97-R184 IonicContact OE2-NH1 2.83Å; E97-R184 PolarHBondContact OE2-NH1 3.12Å; E97-R184 IonicContact OE2-NH2 3.37Å; E97-R184 PolarHBondContact OE2-NH2 2.98Å
98	S	35.5	Very low	43.1	Very low	77 Å²	77	73 Å²	73	54%	0.538	46%	0.457	S	S	.	.	S	Bend	trans	-84.8	99.7	170	60.1	0	0	0	0	109.7	S96	S96-S98 PolarHBondContact O-N 3.15Å; S96-S98 VanDerWaalsContact O-N 3.13Å
99	S	30.6	Very low	41.4	Very low	118 Å²	118	72.9 Å²	72.9	83%	0.825	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	17.8	110.9	151.2	47.8	0	0	0	0	117.2	E97 F101	E97-S99 PolarHBondContact O-N 3.21Å; S99-F101 PolarHBondContact O-N 3.2Å
100	G	32	Very low	39.9	Very low	78 Å²	78	74.6 Å²	74.6	80%	0.804	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.3	12.8	150.1	0	0	0	0	0	118.2	R102	G100-R102 VanDerWaalsContact C-N 3.33Å; G100-R102 PolarHBondContact O-N 3.36Å
101	F	34	Very low	38.8	Very low	117 Å²	117	84.9 Å²	84.9	51%	0.513	51%	0.507	S	S	.	.			trans	-72.6	86.7	176.3	-136.5	-101.6	0	0	0	111.5	S99 T107	S99-F101 PolarHBondContact O-N 3.2Å; F101-T107 HydrophobicContact CD1-CG2 4.3Å; F101-T107 HydrophobicContact CE1-CG2 3.32Å; F101-T107 HydrophobicContact CZ-CG2 3.74Å
102	R	38	Very low	37.7	Very low	225 Å²	225	90.9 Å²	90.9	85%	0.849	53%	0.532	S	S	*	.			trans	-65.3	126.1	161.2	-78.9	-179.2	167.9	177.9	-1.8	107.1	G100 G104	G100-R102 VanDerWaalsContact C-N 3.33Å; G100-R102 PolarHBondContact O-N 3.36Å; R102-G104 VanDerWaalsContact C-N 3.28Å; R102-G104 PolarHBondContact O-N 3.34Å
103	P	34.9	Very low	36.7	Very low	72 Å²	72	90.4 Å²	90.4	47%	0.468	55%	0.546	S	S	.	.			trans	-64	94.6	173	24.7	-30.1	0	0	0	108.5	Y92	Y92-P103 HydrophobicContact CD1-CB 3.9Å; Y92-P103 HydrophobicContact CD1-CG 4.27Å; Y92-P103 HydrophobicContact CE1-CB 4.28Å
104	G	33.8	Very low	35.6	Very low	28 Å²	28	89.7 Å²	89.7	29%	0.289	54%	0.544	S	S	.	.			trans	-80.9	154.5	173.1	0	0	0	0	0	110.6	R102 G106 T107	R102-G104 VanDerWaalsContact C-N 3.28Å; R102-G104 PolarHBondContact O-N 3.34Å; G104-G106 PolarHBondContact O-N 3Å; G104-T107 PolarHBondContact O-N 3.07Å; G104-T107 PolarHBondContact O-OG1 2.99Å
105	P	37.5	Very low	35	Very low	137 Å²	137	94.9 Å²	94.9	89%	0.89	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.7	-16.9	-179.6	23	-33	0	0	0	114.2
106	G	30.7	Very low	34.2	Very low	76 Å²	76	94.5 Å²	94.5	78%	0.784	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.5	0.9	178.4	0	0	0	0	0	115.5	G104 G108	G104-G106 PolarHBondContact O-N 3Å; G106-G108 PolarHBondContact O-N 3.45Å
107	T	30.2	Very low	33.8	Very low	29 Å²	29	94.2 Å²	94.2	18%	0.178	56%	0.56	C	S	.	*	S	Bend	trans	-78.5	115.7	174.1	64.2	0	0	0	0	106.7	F101 G104 L109 A110	F101-T107 HydrophobicContact CD1-CG2 4.3Å; F101-T107 HydrophobicContact CE1-CG2 3.32Å; F101-T107 HydrophobicContact CZ-CG2 3.74Å; G104-T107 PolarHBondContact O-N 3.07Å; G104-T107 PolarHBondContact O-OG1 2.99Å; T107-L109 PolarHBondContact O-N 2.82Å; T107-A110 WeakPolarHBondContact O-CB 3.41Å; T107-A110 PolarHBondContact O-N 3.46Å
108	G	30.1	Very low	33.5	Very low	53 Å²	53	91.6 Å²	91.6	55%	0.546	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-56.7	7.1	-176.4	0	0	0	0	0	116.2	G106 W111	G106-G108 PolarHBondContact O-N 3.45Å; G108-W111 WeakPolarHBondContact O-CB 3.31Å
109	L	34.4	Very low	33.1	Very low	36 Å²	36	90.2 Å²	90.2	19%	0.188	55%	0.553	C	S	.	*	T	Hydrogen-bonded Turn	trans	-79.8	-19.9	165.5	-71.3	154.8	0	0	0	112.6	Y92 T107 W111 F112	Y92-L109 WeakPolarHBondContact OH-CD1 3.42Å; T107-L109 PolarHBondContact O-N 2.82Å; L109-W111 PolarHBondContact O-N 3.34Å; L109-F112 PolarHBondContact O-N 2.87Å
110	A	35.4	Very low	32.9	Very low	41 Å²	41	86.1 Å²	86.1	34%	0.339	53%	0.529	S	S	.	.	G	3₁₀ helix	trans	-65.1	-18.3	167.2	0	0	0	0	0	112.6	T107 F112 G113	T107-A110 WeakPolarHBondContact O-CB 3.41Å; T107-A110 PolarHBondContact O-N 3.46Å; A110-F112 PolarHBondContact O-N 2.99Å; A110-G113 PolarHBondContact O-N 3.25Å
111	W	34.2	Very low	32.7	Very low	236 Å²	236	94.3 Å²	94.3	89%	0.894	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-70.5	-20.3	171.5	-134.9	-28.3	0	0	0	112.6	G108 L109	G108-W111 WeakPolarHBondContact O-CB 3.31Å; L109-W111 PolarHBondContact O-N 3.34Å
112	F	35.7	Very low	32.4	Very low	147 Å²	147	95.6 Å²	95.6	65%	0.645	55%	0.553	S	S	*	*	G	3₁₀ helix	trans	-94.4	14.5	172.8	-69.5	-76.6	0	0	0	113.5	L109 A110 M221	L109-F112 PolarHBondContact O-N 2.87Å; A110-F112 PolarHBondContact O-N 2.99Å; F112-M221 HydrophobicContact CD1-CE 4.14Å; F112-M221 HydrophobicContact CE1-CE 4.04Å; F112-M221 HydrophobicContact CZ-CE 4.4Å
113	G	30.1	Very low	32	Very low	52 Å²	52	90.3 Å²	90.3	54%	0.536	55%	0.551	S	S	.	*			trans	83.9	26.1	138.9	0	0	0	0	0	119.6	A110 K115	A110-G113 PolarHBondContact O-N 3.25Å; G113-K115 VanDerWaalsContact C-N 3.32Å; G113-K115 PolarHBondContact O-N 2.95Å; G113-K115 VanDerWaalsContact O-N 3.14Å
114	G	30.6	Very low	31.8	Very low	33 Å²	33	95.2 Å²	95.2	34%	0.34	57%	0.57	S	S	.	*			trans	-81.6	74.2	165.4	0	0	0	0	0	111.5
115	K	34.7	Very low	31.5	Very low	142 Å²	142	98.7 Å²	98.7	62%	0.617	59%	0.589	S	S	*	*			trans	-119	137.1	174.4	-70.5	-175.6	-178.7	178.7	0	108.6	G113 V117	G113-K115 VanDerWaalsContact C-N 3.32Å; G113-K115 PolarHBondContact O-N 2.95Å; G113-K115 VanDerWaalsContact O-N 3.14Å; K115-V117 PolarHBondContact O-N 3.48Å; K115-V117 VanDerWaalsContact O-N 3.13Å
116	P	32.8	Very low	31.3	Very low	75 Å²	75	97.6 Å²	97.6	49%	0.487	59%	0.585	S	S	.	*			trans	-47	116.7	-169.2	19.7	-33.2	0	0	0	111.8	D90 V118	D90-P116 WeakPolarHBondContact OD2-CA 3.21Å; P116-V118 PolarHBondContact O-N 2.98Å
117	V	33.8	Very low	31.5	Very low	50 Å²	50	100.4 Å²	100.4	30%	0.303	58%	0.582	S	S	.	*			trans	-69.3	83.1	171.5	-171.1	0	0	0	0	108.9	V88 D90 K115 G119	V88-V117 WeakPolarHBondContact CG1-O 3.5Å; D90-V117 PolarHBondContact OD2-N 3.08Å; K115-V117 PolarHBondContact O-N 3.48Å; K115-V117 VanDerWaalsContact O-N 3.13Å; V117-G119 VanDerWaalsContact C-N 3.33Å; V117-G119 PolarHBondContact O-N 3.21Å; V117-G119 VanDerWaalsContact O-N 3.14Å
118	V	33.9	Very low	31.8	Very low	101 Å²	101	102 Å²	102	61%	0.612	60%	0.604	S	S	*	*			trans	-76.8	94.3	162.9	-174.6	0	0	0	0	105.8	P116 L131	P116-V118 PolarHBondContact O-N 2.98Å; V118-L131 HydrophobicContact CG2-CD2 4.2Å
119	G	27.7	Very low	32	Very low	49 Å²	49	106.6 Å²	106.6	51%	0.505	62%	0.616	S	S	.	*	S	Bend	trans	39.5	99.3	166.4	0	0	0	0	0	116.5	V117	V117-G119 VanDerWaalsContact C-N 3.33Å; V117-G119 PolarHBondContact O-N 3.21Å; V117-G119 VanDerWaalsContact O-N 3.14Å
120	G	26.5	Very low	32.2	Very low	31 Å²	31	113.2 Å²	113.2	32%	0.32	65%	0.646	S	S	.	*	S	Bend	trans	54.1	105	159.6	0	0	0	0	0	115.7
121	W	27.3	Very low	32.6	Very low	251 Å²	251	114.4 Å²	114.4	95%	0.951	65%	0.647	S	S	*	*	S	Bend	trans	74.4	122.5	175.9	-58.1	67.5	0	0	0	113.9	S123	W121-S123 PolarHBondContact O-N 3.06Å
122	T	28.3	Very low	33.2	Very low	144 Å²	144	113.9 Å²	113.9	88%	0.883	65%	0.645	S	S	*	*			trans	-53.9	104.4	-175.2	49	0	0	0	0	112.9
123	S	28.7	Very low	33.8	Very low	113 Å²	113	110.4 Å²	110.4	79%	0.79	65%	0.65	S	S	*	*			trans	-102.8	108.8	162.8	169.8	0	0	0	0	109.1	W121 S125	W121-S123 PolarHBondContact O-N 3.06Å; S123-S125 PolarHBondContact O-N 3.34Å
124	M	31.3	Very low	34.7	Very low	176 Å²	176	111 Å²	111	87%	0.867	66%	0.657	S	S	*	*			trans	-64.7	109.8	171.2	-76.9	166	52.6	0	0	109.5
125	S	28.2	Very low	35.5	Very low	100 Å²	100	111.2 Å²	111.2	70%	0.699	65%	0.65	S	S	*	*			trans	-103.8	106.2	158.8	-174.7	0	0	0	0	109.3	S123 N127	S123-S125 PolarHBondContact O-N 3.34Å; S125-N127 VanDerWaalsContact C-N 3.25Å
126	S	33	Very low	36.3	Very low	114 Å²	114	107.9 Å²	107.9	80%	0.797	64%	0.641	S	S	*	*			trans	-80.5	0.5	176.4	60.9	0	0	0	0	113.4
127	N	35.1	Very low	36.9	Very low	135 Å²	135	108.2 Å²	108.2	72%	0.722	65%	0.646	S	S	*	*			trans	-100	96.4	178	-82	-3.9	0	0	0	109.9	S125 N129	S125-N127 VanDerWaalsContact C-N 3.25Å; N127-N129 PolarHBondContact O-N 3.22Å
128	G	35.8	Very low	37.6	Very low	63 Å²	63	110.6 Å²	110.6	65%	0.649	66%	0.656	S	S	*	*			trans	-61.5	102	162.5	0	0	0	0	0	108.8
129	N	35.1	Very low	38.5	Very low	149 Å²	149	109.8 Å²	109.8	80%	0.797	65%	0.645	S	S	*	*	S	Bend	trans	173.7	116.2	142.4	-84.2	-19.7	0	0	0	107.4	N127	N127-N129 PolarHBondContact O-N 3.22Å
130	Q	38.9	Very low	39.6	Very low	175 Å²	175	109.4 Å²	109.4	82%	0.818	63%	0.632	S	S	*	*			trans	77	92.8	173.5	-49.9	-175.5	-6.2	0	0	116.1
131	L	43	Very low	40.7	Very low	67 Å²	67	110.5 Å²	110.5	35%	0.351	63%	0.634	S	S	.	*	B	Isolated β-bridge	trans	-79.5	141.6	159.7	-81.4	148.4	0	0	0	108.8	V118 G133 G134 I140	V118-L131 HydrophobicContact CG2-CD2 4.2Å; L131-G133 PolarHBondContact O-N 3.37Å; L131-G134 PolarHBondContact O-N 3.42Å; L131-I140 HydrophobicContact CB-CD1 3.86Å; L131-I140 HydrophobicContact CD1-CD1 3.63Å; L131-I140 HydrophobicContact CG-CD1 4.36Å
132	R	46.1	Very low	41.8	Very low	224 Å²	224	106.3 Å²	106.3	85%	0.845	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-35.6	105.7	175	-101.6	178.3	161.1	-160.9	-2.1	110.4	E166	R132-E166 IonicContact NH1-OE1 2.78Å; R132-E166 PolarHBondContact NH1-OE1 3.33Å
133	G	49.7	Very low	42.8	Very low	74 Å²	74	100.7 Å²	100.7	76%	0.763	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	124.3	3	-178	0	0	0	0	0	116.2	L131 L135	L131-G133 PolarHBondContact O-N 3.37Å; G133-L135 PolarHBondContact O-N 2.68Å
134	G	47.5	Very low	44	Very low	65 Å²	65	95.6 Å²	95.6	67%	0.67	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	77	3.5	171.6	0	0	0	0	0	115.2	L131	L131-G134 PolarHBondContact O-N 3.42Å
135	L	49.3	Very low	45	Very low	38 Å²	38	89.2 Å²	89.2	20%	0.199	52%	0.52	C	S	.	.	B	Isolated β-bridge	trans	-92.8	136.3	175.9	-68	174.5	0	0	0	111.6	G133 Q139 I140 L143 L156	G133-L135 PolarHBondContact O-N 2.68Å; L135-Q139 HydrophobicContact CB-CB 4.26Å; L135-Q139 HydrophobicContact CD2-CB 3.95Å; L135-Q139 HydrophobicContact CD2-CG 4.41Å; L135-I140 HydrophobicContact CB-CD1 4.23Å; L135-I140 HydrophobicContact CB-CG1 3.83Å; L135-I140 HydrophobicContact CD1-CG1 4.23Å; L135-L143 HydrophobicContact CD1-CD1 3.54Å; L135-L156 HydrophobicContact CD1-CD1 3.91Å; L135-L156 HydrophobicContact CD1-CD2 3.38Å; L135-L156 HydrophobicContact CD1-CG 4.28Å; L135-L156 HydrophobicContact CG-CD2 4.23Å
136	T	49.8	Very low	46	Very low	71 Å²	71	90.7 Å²	90.7	44%	0.436	52%	0.515	S	S	.	.			trans	-66.5	151.9	169	60.2	0	0	0	0	110.5	L138 Q139 I140	T136-L138 PolarHBondContact O-N 2.96Å; T136-L138 VanDerWaalsContact O-N 3.08Å; T136-Q139 WeakPolarHBondContact O-CB 3.3Å; T136-Q139 PolarHBondContact O-N 2.95Å; T136-Q139 VanDerWaalsContact OG1-CG 3.29Å; T136-Q139 WeakPolarHBondContact OG1-CG 3.19Å; T136-Q139 PolarHBondContact OG1-N 3.12Å; T136-Q139 PolarHBondContact OG1-OE1 3.22Å; T136-I140 PolarHBondContact O-N 3.2Å
137	S	46.4	Very low	46.8	Very low	83 Å²	83	96.8 Å²	96.8	58%	0.58	52%	0.521	S	S	*	.	H	α-helix	trans	-54.4	-28.7	174.5	54.9	0	0	0	0	112.9	S141	S137-S141 WeakPolarHBondContact O-CB 3.26Å; S137-S141 PolarHBondContact O-N 3.02Å; S137-S141 PolarHBondContact O-OG 3.34Å
138	L	49	Very low	47.4	Very low	99 Å²	99	91.9 Å²	91.9	52%	0.518	50%	0.496	S	S	.	.	H	α-helix	trans	-72.7	-39.1	174.6	-162.9	78.7	0	0	0	112.6	T136 S141 R142	T136-L138 PolarHBondContact O-N 2.96Å; T136-L138 VanDerWaalsContact O-N 3.08Å; L138-S141 WeakPolarHBondContact CA-OG 3.32Å; L138-S141 PolarHBondContact O-OG 3.21Å; L138-R142 WeakPolarHBondContact O-CB 3.25Å; L138-R142 WeakPolarHBondContact O-CG 3.44Å; L138-R142 PolarHBondContact O-N 3.09Å
139	Q	52.7	Low	47.9	Very low	84 Å²	84	94.6 Å²	94.6	39%	0.393	50%	0.496	S	S	.	.	H	α-helix	trans	-67.6	-43.9	174.8	-75.8	163.7	-42.9	0	0	110.6	L135 T136 R142 L143	L135-Q139 HydrophobicContact CB-CB 4.26Å; L135-Q139 HydrophobicContact CD2-CB 3.95Å; L135-Q139 HydrophobicContact CD2-CG 4.41Å; T136-Q139 WeakPolarHBondContact O-CB 3.3Å; T136-Q139 PolarHBondContact O-N 2.95Å; T136-Q139 VanDerWaalsContact OG1-CG 3.29Å; T136-Q139 WeakPolarHBondContact OG1-CG 3.19Å; T136-Q139 PolarHBondContact OG1-N 3.12Å; T136-Q139 PolarHBondContact OG1-OE1 3.22Å; Q139-R142 WeakPolarHBondContact O-CB 3.29Å; Q139-R142 PolarHBondContact O-N 3.28Å; Q139-L143 WeakPolarHBondContact O-CB 3.45Å; Q139-L143 VanDerWaalsContact O-CD1 3.24Å; Q139-L143 WeakPolarHBondContact O-CD1 3.24Å; Q139-L143 WeakPolarHBondContact O-CG 3.49Å; Q139-L143 PolarHBondContact O-N 2.95Å
140	I	50.8	Low	48.6	Very low	42 Å²	42	97 Å²	97	22%	0.215	49%	0.494	C	S	.	.	H	α-helix	trans	-57.9	-54.6	175.6	-64.7	168.9	0	0	0	109.5	L131 L135 T136 R142 L143 C144	L131-I140 HydrophobicContact CB-CD1 3.86Å; L131-I140 HydrophobicContact CD1-CD1 3.63Å; L131-I140 HydrophobicContact CG-CD1 4.36Å; L135-I140 HydrophobicContact CB-CD1 4.23Å; L135-I140 HydrophobicContact CB-CG1 3.83Å; L135-I140 HydrophobicContact CD1-CG1 4.23Å; T136-I140 PolarHBondContact O-N 3.2Å; I140-R142 PolarHBondContact O-N 3.28Å; I140-L143 WeakPolarHBondContact O-CA 3.49Å; I140-L143 WeakPolarHBondContact O-CB 3.37Å; I140-L143 PolarHBondContact O-N 3.5Å; I140-C144 VanDerWaalsContact C-SG 3.59Å; I140-C144 PolarHBondContact O-N 2.94Å; I140-C144 PolarHBondContact O-SG 3.27Å
141	S	48.8	Very low	49	Very low	54 Å²	54	91.9 Å²	91.9	38%	0.378	48%	0.477	S	S	.	.	H	α-helix	trans	-60.6	-31.8	179.3	61.2	0	0	0	0	113.7	S137 L138 C144	S137-S141 WeakPolarHBondContact O-CB 3.26Å; S137-S141 PolarHBondContact O-N 3.02Å; S137-S141 PolarHBondContact O-OG 3.34Å; L138-S141 WeakPolarHBondContact CA-OG 3.32Å; L138-S141 PolarHBondContact O-OG 3.21Å; S141-C144 WeakPolarHBondContact O-CB 3.49Å
142	R	50.7	Low	49.3	Very low	162 Å²	162	90.5 Å²	90.5	61%	0.611	48%	0.475	S	S	*	.	H	α-helix	trans	-62.8	-56.5	169.1	-79	176.8	-177.7	175.9	1.8	110.1	L138 Q139 I140 C144 S145 V148	L138-R142 WeakPolarHBondContact O-CB 3.25Å; L138-R142 WeakPolarHBondContact O-CG 3.44Å; L138-R142 PolarHBondContact O-N 3.09Å; Q139-R142 WeakPolarHBondContact O-CB 3.29Å; Q139-R142 PolarHBondContact O-N 3.28Å; I140-R142 PolarHBondContact O-N 3.28Å; R142-C144 PolarHBondContact O-N 3.23Å; R142-C144 VanDerWaalsContact O-N 3.17Å; R142-S145 WeakPolarHBondContact O-CA 2.96Å; R142-S145 WeakPolarHBondContact O-CB 3.49Å; R142-S145 PolarHBondContact O-N 2.98Å; R142-S145 PolarHBondContact O-OG 3.32Å; R142-V148 VanDerWaalsContact C-CG2 3.44Å; R142-V148 WeakPolarHBondContact O-CG2 3.32Å
143	L	49.5	Very low	49.6	Very low	27 Å²	27	81.5 Å²	81.5	14%	0.141	44%	0.444	C	S	.	.	H	α-helix	trans	-53.7	-33.8	-179	-70.2	155.9	0	0	0	113.7	L135 Q139 I140 S145 V148 A152 I153 L156	L135-L143 HydrophobicContact CD1-CD1 3.54Å; Q139-L143 WeakPolarHBondContact O-CB 3.45Å; Q139-L143 VanDerWaalsContact O-CD1 3.24Å; Q139-L143 WeakPolarHBondContact O-CD1 3.24Å; Q139-L143 WeakPolarHBondContact O-CG 3.49Å; Q139-L143 PolarHBondContact O-N 2.95Å; I140-L143 WeakPolarHBondContact O-CA 3.49Å; I140-L143 WeakPolarHBondContact O-CB 3.37Å; I140-L143 PolarHBondContact O-N 3.5Å; L143-S145 PolarHBondContact O-N 2.8Å; L143-V148 HydrophobicContact CD2-CG1 4.39Å; L143-A152 HydrophobicContact CD2-CB 4.31Å; L143-I153 HydrophobicContact CD2-CG1 4.09Å; L143-L156 HydrophobicContact CD1-CD1 3.19Å; L143-L156 HydrophobicContact CD2-CD1 3.29Å; L143-L156 HydrophobicContact CG-CD1 3.82Å
144	C	54.4	Low	49.8	Very low	6 Å²	6	84.5 Å²	84.5	4%	0.041	44%	0.436	C	S	.	.	H	α-helix	trans	-60.2	-36.9	173.5	-58.7	0	0	0	0	111.3	C89 N91 I140 S141 R142 R199	C89-C144 HydrophobicContact CB-CB 3.49Å; C89-C144 VanDerWaalsContact CB-CB 3.49Å; C89-C144 WeakPolarHBondContact CB-SG 2.69Å; N91-C144 VanDerWaalsContact CG-C 3.4Å; N91-C144 VanDerWaalsContact CG-CB 3.42Å; N91-C144 WeakPolarHBondContact ND2-CB 3.21Å; N91-C144 PolarHBondContact ND2-O 2.96Å; N91-C144 WeakPolarHBondContact OD1-CA 3.5Å; N91-C144 WeakPolarHBondContact OD1-CB 3.46Å; N91-C144 PolarHBondContact OD1-O 2.82Å; I140-C144 VanDerWaalsContact C-SG 3.59Å; I140-C144 PolarHBondContact O-N 2.94Å; I140-C144 PolarHBondContact O-SG 3.27Å; S141-C144 WeakPolarHBondContact O-CB 3.49Å; R142-C144 PolarHBondContact O-N 3.23Å; R142-C144 VanDerWaalsContact O-N 3.17Å; C144-R199 PolarHBondContact O-NH1 2.92Å
145	S	51.7	Low	50.2	Low	42 Å²	42	87.7 Å²	87.7	29%	0.294	44%	0.437	S	S	.	.	S	Bend	trans	-67	142.5	-166.7	75.3	0	0	0	0	112.2	N91 R142 L143 R147 V148	N91-S145 WeakPolarHBondContact OD1-CA 3.48Å; N91-S145 PolarHBondContact OD1-N 3.24Å; R142-S145 WeakPolarHBondContact O-CA 2.96Å; R142-S145 WeakPolarHBondContact O-CB 3.49Å; R142-S145 PolarHBondContact O-N 2.98Å; R142-S145 PolarHBondContact O-OG 3.32Å; L143-S145 PolarHBondContact O-N 2.8Å; S145-R147 PolarHBondContact O-N 3.2Å; S145-V148 VanDerWaalsContact O-CG2 3.26Å; S145-V148 WeakPolarHBondContact O-CG2 3.33Å; S145-V148 PolarHBondContact O-N 3.37Å; S145-V148 WeakPolarHBondContact OG-CG2 3.42Å
146	E	49.4	Very low	50.4	Low	130 Å²	130	87.5 Å²	87.5	61%	0.607	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-9.9	-176.5	-62.9	-173.3	156.3	0	0	113.3
147	R	48.4	Very low	50.7	Low	242 Å²	242	86.4 Å²	86.4	91%	0.913	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	0.5	-177.7	-70.3	-170.5	-175.5	144.1	-0	114.7	S145 N149	S145-R147 PolarHBondContact O-N 3.2Å; R147-N149 PolarHBondContact O-N 3.19Å
148	V	48.2	Very low	51.1	Low	32 Å²	32	87.4 Å²	87.4	19%	0.194	43%	0.426	C	S	.	.	S	Bend	trans	-71.5	137.1	-175.9	-166.6	0	0	0	0	110	R142 L143 S145 R150 A152 I153	R142-V148 VanDerWaalsContact C-CG2 3.44Å; R142-V148 WeakPolarHBondContact O-CG2 3.32Å; L143-V148 HydrophobicContact CD2-CG1 4.39Å; S145-V148 VanDerWaalsContact O-CG2 3.26Å; S145-V148 WeakPolarHBondContact O-CG2 3.33Å; S145-V148 PolarHBondContact O-N 3.37Å; S145-V148 WeakPolarHBondContact OG-CG2 3.42Å; V148-R150 PolarHBondContact O-N 3.26Å; V148-R150 VanDerWaalsContact O-N 3.08Å; V148-A152 HydrophobicContact CG1-CB 4.33Å; V148-I153 HydrophobicContact CB-CD1 4.15Å; V148-I153 HydrophobicContact CB-CG1 4.46Å; V148-I153 HydrophobicContact CG1-CG1 4.4Å
149	N	46.1	Very low	51.6	Low	121 Å²	121	85.1 Å²	85.1	65%	0.647	42%	0.418	S	S	*	.			trans	-52	116.2	171	-164.1	-9.2	0	0	0	109.4	R147 S151 A152	R147-N149 PolarHBondContact O-N 3.19Å; N149-S151 VanDerWaalsContact CG-OG 3.24Å; N149-S151 PolarHBondContact O-N 3.28Å; N149-S151 PolarHBondContact OD1-OG 3.08Å; N149-S151 VanDerWaalsContact OD1-OG 3.07Å; N149-A152 PolarHBondContact O-N 2.66Å
150	R	49.4	Very low	51.9	Low	200 Å²	200	89.3 Å²	89.3	76%	0.755	44%	0.437	S	S	*	.	H	α-helix	trans	-57	-23	-170	-67.9	-179.4	178	179.1	0.1	113.3	V148 I153 K154	V148-R150 PolarHBondContact O-N 3.26Å; V148-R150 VanDerWaalsContact O-N 3.08Å; R150-I153 PolarHBondContact O-N 2.81Å; R150-K154 PolarHBondContact O-N 2.99Å
151	S	47.8	Very low	52.5	Low	67 Å²	67	93.4 Å²	93.4	47%	0.469	46%	0.46	S	S	.	.	H	α-helix	trans	-63.9	-38.3	175.6	43.9	0	0	0	0	113.5	N149 I153 K154 L155	N149-S151 VanDerWaalsContact CG-OG 3.24Å; N149-S151 PolarHBondContact O-N 3.28Å; N149-S151 PolarHBondContact OD1-OG 3.08Å; N149-S151 VanDerWaalsContact OD1-OG 3.07Å; S151-I153 VanDerWaalsContact C-N 3.34Å; S151-I153 PolarHBondContact O-N 2.9Å; S151-K154 PolarHBondContact O-N 3.31Å; S151-L155 PolarHBondContact O-N 2.64Å
152	A	49.2	Very low	53.4	Low	38 Å²	38	93.3 Å²	93.3	31%	0.314	45%	0.451	S	S	.	.	H	α-helix	trans	-70	-33.3	178.9	0	0	0	0	0	112.1	L143 V148 N149	L143-A152 HydrophobicContact CD2-CB 4.31Å; V148-A152 HydrophobicContact CG1-CB 4.33Å; N149-A152 PolarHBondContact O-N 2.66Å
153	I	53.7	Low	54.2	Low	35 Å²	35	85.9 Å²	85.9	18%	0.179	43%	0.426	C	S	.	.	H	α-helix	trans	-68.9	-38.2	175.8	-66	175.2	0	0	0	110.5	Y87 L143 V148 R150 S151 L155 L156 I157	Y87-I153 HydrophobicContact CE1-CG2 3.72Å; L143-I153 HydrophobicContact CD2-CG1 4.09Å; V148-I153 HydrophobicContact CB-CD1 4.15Å; V148-I153 HydrophobicContact CB-CG1 4.46Å; V148-I153 HydrophobicContact CG1-CG1 4.4Å; R150-I153 PolarHBondContact O-N 2.81Å; S151-I153 VanDerWaalsContact C-N 3.34Å; S151-I153 PolarHBondContact O-N 2.9Å; I153-L155 PolarHBondContact O-N 3.26Å; I153-L156 PolarHBondContact O-N 2.93Å; I153-L156 VanDerWaalsContact O-N 3.12Å; I153-I157 HydrophobicContact CG2-CD1 3.74Å; I153-I157 HydrophobicContact CG2-CG1 4.22Å; I153-I157 WeakPolarHBondContact O-CG1 3.02Å; I153-I157 PolarHBondContact O-N 3.46Å
154	K	54.2	Low	55.5	Low	137 Å²	137	88.9 Å²	88.9	60%	0.596	44%	0.437	S	S	*	.	H	α-helix	trans	-60.2	-45.4	178.3	-168.7	179.4	178.6	-174	0	112.1	R150 S151 L156 I157 D158	R150-K154 PolarHBondContact O-N 2.99Å; S151-K154 PolarHBondContact O-N 3.31Å; K154-L156 PolarHBondContact O-N 3.23Å; K154-L156 VanDerWaalsContact O-N 3.12Å; K154-I157 PolarHBondContact O-N 2.88Å; K154-I157 VanDerWaalsContact O-N 3.15Å; K154-D158 VanDerWaalsContact O-CG 3.24Å; K154-D158 PolarHBondContact O-N 2.8Å
155	L	54.8	Low	56.5	Low	132 Å²	132	89 Å²	89	69%	0.691	44%	0.438	S	S	*	.	H	α-helix	trans	-59.6	-25.2	177	-70.4	169.2	0	0	0	113.4	S151 I153	S151-L155 PolarHBondContact O-N 2.64Å; I153-L155 PolarHBondContact O-N 3.26Å
156	L	54.3	Low	57.4	Low	34 Å²	34	93.9 Å²	93.9	18%	0.178	46%	0.456	C	S	.	.	H	α-helix	trans	-90.6	-32.7	177.6	-77.2	155	0	0	0	113.3	L135 L143 I153 K154 D158 S159 Y162	L135-L156 HydrophobicContact CD1-CD1 3.91Å; L135-L156 HydrophobicContact CD1-CD2 3.38Å; L135-L156 HydrophobicContact CD1-CG 4.28Å; L135-L156 HydrophobicContact CG-CD2 4.23Å; L143-L156 HydrophobicContact CD1-CD1 3.19Å; L143-L156 HydrophobicContact CD2-CD1 3.29Å; L143-L156 HydrophobicContact CG-CD1 3.82Å; I153-L156 PolarHBondContact O-N 2.93Å; I153-L156 VanDerWaalsContact O-N 3.12Å; K154-L156 PolarHBondContact O-N 3.23Å; K154-L156 VanDerWaalsContact O-N 3.12Å; L156-D158 PolarHBondContact O-N 3.24Å; L156-S159 WeakPolarHBondContact O-CB 3.15Å; L156-S159 PolarHBondContact O-N 2.72Å; L156-S159 PolarHBondContact O-OG 2.97Å; L156-Y162 WeakPolarHBondContact O-CB 3.06Å
157	I	55.7	Low	58.4	Low	47 Å²	47	90.9 Å²	90.9	24%	0.241	45%	0.445	C	S	.	.	H	α-helix	trans	-60.4	-33.7	168.1	-68.5	166.3	0	0	0	110.2	Y87 I153 K154 S159 F232	Y87-I157 HydrophobicContact CE1-CD1 3.84Å; Y87-I157 HydrophobicContact CE1-CG1 4.2Å; Y87-I157 WeakPolarHBondContact OH-CD1 3.44Å; I153-I157 HydrophobicContact CG2-CD1 3.74Å; I153-I157 HydrophobicContact CG2-CG1 4.22Å; I153-I157 WeakPolarHBondContact O-CG1 3.02Å; I153-I157 PolarHBondContact O-N 3.46Å; K154-I157 PolarHBondContact O-N 2.88Å; K154-I157 VanDerWaalsContact O-N 3.15Å; I157-S159 PolarHBondContact O-N 2.99Å; I157-F232 HydrophobicContact CB-CZ 4.39Å; I157-F232 HydrophobicContact CG1-CE1 4.16Å; I157-F232 HydrophobicContact CG1-CZ 4.19Å; I157-F232 HydrophobicContact CG2-CD2 4.2Å; I157-F232 HydrophobicContact CG2-CE2 3.62Å; I157-F232 HydrophobicContact CG2-CZ 3.82Å
158	D	54.1	Low	59.4	Low	105 Å²	105	85 Å²	85	56%	0.561	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-9.3	175.7	-63.9	-20.8	0	0	0	112.7	K154 L156 E160	K154-D158 VanDerWaalsContact O-CG 3.24Å; K154-D158 PolarHBondContact O-N 2.8Å; L156-D158 PolarHBondContact O-N 3.24Å; D158-E160 PolarHBondContact O-N 3.2Å
159	S	60.3	Low	60.6	Low	51 Å²	51	88.3 Å²	88.3	36%	0.357	45%	0.446	S	S	.	.	S	Bend	trans	-75.8	120.4	168.4	74.6	0	0	0	0	109.9	L156 I157 N161 Y162	L156-S159 WeakPolarHBondContact O-CB 3.15Å; L156-S159 PolarHBondContact O-N 2.72Å; L156-S159 PolarHBondContact O-OG 2.97Å; I157-S159 PolarHBondContact O-N 2.99Å; S159-N161 PolarHBondContact O-N 3.03Å; S159-Y162 PolarHBondContact O-N 2.86Å; S159-Y162 VanDerWaalsContact OG-CB 3.25Å; S159-Y162 WeakPolarHBondContact OG-CB 3.32Å
160	E	59.3	Low	62	Low	172 Å²	172	84.6 Å²	84.6	80%	0.804	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-20.8	-170.8	-70.9	-176.2	153.7	0	0	114.8	D158	D158-E160 PolarHBondContact O-N 3.2Å
161	N	63.7	Low	63.3	Low	127 Å²	127	77.5 Å²	77.5	68%	0.679	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	-9.8	-175.8	-64.1	-48	0	0	0	114.4	S159 G163	S159-N161 PolarHBondContact O-N 3.03Å; N161-G163 PolarHBondContact O-N 3.4Å
162	Y	65.9	Low	65	Low	52 Å²	52	74.3 Å²	74.3	20%	0.204	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	130.1	-176.8	-178.1	-103.4	0	0	0	111.5	H85 Y87 V88 L156 S159 K164 F232	H85-Y162 PolarHBondContact ND1-O 3.17Å; Y87-Y162 HydrophobicContact CD1-CE1 4.24Å; V88-Y162 PolarHBondContact O-OH 2.94Å; L156-Y162 WeakPolarHBondContact O-CB 3.06Å; S159-Y162 PolarHBondContact O-N 2.86Å; S159-Y162 VanDerWaalsContact OG-CB 3.25Å; S159-Y162 WeakPolarHBondContact OG-CB 3.32Å; Y162-K164 PolarHBondContact O-N 2.67Å; Y162-F232 HydrophobicContact CD1-CE1 4.1Å; Y162-F232 HydrophobicContact CD1-CZ 4.47Å; Y162-F232 HydrophobicContact CE1-CE1 4.24Å
163	G	68.7	Low	66.6	Low	7 Å²	7	72.5 Å²	72.5	7%	0.072	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.7	1.5	177	0	0	0	0	0	115.1	H85 C86 N161 C165	H85-G163 CarbonylContact C-O 3.47Å; H85-G163 VanDerWaalsContact CA-O 3.25Å; H85-G163 WeakPolarHBondContact CA-O 3.17Å; C86-G163 PolarHBondContact N-O 3.01Å; C86-G163 WeakPolarHBondContact O-CA 3.35Å; N161-G163 PolarHBondContact O-N 3.4Å; G163-C165 PolarHBondContact O-N 2.89Å
164	K	75.8	Confident	68.1	Low	89 Å²	89	70.9 Å²	70.9	39%	0.387	36%	0.356	S	S	.	.	B	Isolated β-bridge	trans	-63.3	121	-179.8	-170.5	176.9	-176.9	176.1	0	110.3	Y162 E166	Y162-K164 PolarHBondContact O-N 2.67Å; K164-E166 PolarHBondContact O-N 2.78Å; K164-E166 VanDerWaalsContact O-N 3.12Å
165	C	76.6	Confident	69.5	Low	9 Å²	9	66 Å²	66	6%	0.061	33%	0.334	C	S	.	.			trans	-76.1	97.9	174.5	-59.7	0	0	0	0	108.6	Q84 C86 G163 N167 Y170 C201	Q84-C165 HydrophobicContact CB-CB 4.22Å; Q84-C165 VanDerWaalsContact O-CB 3.3Å; Q84-C165 WeakPolarHBondContact O-CB 3.29Å; Q84-C165 PolarHBondContact O-N 2.97Å; Q84-C165 PolarHBondContact O-SG 3.37Å; C86-C165 PolarHBondContact SG-SG 2.04Å; G163-C165 PolarHBondContact O-N 2.89Å; C165-N167 PolarHBondContact O-N 2.95Å; C165-Y170 HydrophobicContact CB-CD2 3.82Å; C165-Y170 HydrophobicContact CB-CG 4.36Å; C165-C201 WeakPolarHBondContact CA-SG 3.3Å; C165-C201 HydrophobicContact CB-CB 3.78Å; C165-C201 WeakPolarHBondContact CB-SG 3.35Å; C165-C201 WeakPolarHBondContact SG-CB 3.12Å; C165-C201 CovalentContact SG-SG 2.03Å; C165-C201 PolarHBondContact SG-SG 2.8Å
166	E	70.8	Confident	70.7	Confident	144 Å²	144	62 Å²	62	67%	0.673	31%	0.313	S	S	*	.			trans	-64.8	-27.9	-176.5	-66.2	-175.5	163.3	0	0	112.7	R132 K164	R132-E166 IonicContact NH1-OE1 2.78Å; R132-E166 PolarHBondContact NH1-OE1 3.33Å; K164-E166 PolarHBondContact O-N 2.78Å; K164-E166 VanDerWaalsContact O-N 3.12Å
167	N	70.5	Confident	71.9	Confident	68 Å²	68	61.5 Å²	61.5	36%	0.364	31%	0.311	S	S	.	.	S	Bend	trans	-86	124.9	-179.8	-165.7	-25.6	0	0	0	111.4	C165 N169 Y170	C165-N167 PolarHBondContact O-N 2.95Å; N167-N169 PolarHBondContact O-N 3.37Å; N167-N169 VanDerWaalsContact O-N 3.08Å; N167-N169 WeakPolarHBondContact OD1-CB 3.41Å; N167-N169 PolarHBondContact OD1-N 2.91Å; N167-Y170 HydrophobicContact CB-CD2 3.48Å; N167-Y170 VanDerWaalsContact CB-CD2 3.48Å; N167-Y170 HydrophobicContact CB-CE2 3.38Å; N167-Y170 HydrophobicContact CB-CG 4.23Å; N167-Y170 WeakPolarHBondContact O-CD2 3.43Å; N167-Y170 PolarHBondContact O-N 3.29Å; N167-Y170 VanDerWaalsContact O-N 3.11Å
168	I	67.7	Low	72.9	Confident	119 Å²	119	60.4 Å²	60.4	61%	0.61	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-19.1	174.2	58.5	166.4	0	0	0	113.6	K81 Y170	K81-I168 HydrophobicContact CD-CB 4.15Å; K81-I168 VanDerWaalsContact CD-O 3.3Å; K81-I168 WeakPolarHBondContact CD-O 3.48Å; K81-I168 WeakPolarHBondContact CE-O 3.46Å; K81-I168 PolarHBondContact NZ-O 3.43Å; I168-Y170 VanDerWaalsContact C-N 3.32Å
169	N	73.8	Confident	73.9	Confident	100 Å²	100	59.7 Å²	59.7	54%	0.535	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-10.2	-179.4	-64.8	-17.9	0	0	0	113.2	N167 D171 A203	N167-N169 PolarHBondContact O-N 3.37Å; N167-N169 VanDerWaalsContact O-N 3.08Å; N167-N169 WeakPolarHBondContact OD1-CB 3.41Å; N167-N169 PolarHBondContact OD1-N 2.91Å; N169-D171 PolarHBondContact O-N 2.66Å; N169-A203 WeakPolarHBondContact O-CB 3.27Å
170	Y	75.3	Confident	74.3	Confident	44 Å²	44	58.2 Å²	58.2	17%	0.173	29%	0.289	C	S	.	.			trans	-74.4	115.9	172.8	-62.7	-43.3	0	0	0	109.5	Q84 C165 N167 I168 C201 A202	Q84-Y170 PolarHBondContact OE1-O 3.29Å; Q84-Y170 VanDerWaalsContact OE1-O 3.11Å; C165-Y170 HydrophobicContact CB-CD2 3.82Å; C165-Y170 HydrophobicContact CB-CG 4.36Å; N167-Y170 HydrophobicContact CB-CD2 3.48Å; N167-Y170 VanDerWaalsContact CB-CD2 3.48Å; N167-Y170 HydrophobicContact CB-CE2 3.38Å; N167-Y170 HydrophobicContact CB-CG 4.23Å; N167-Y170 WeakPolarHBondContact O-CD2 3.43Å; N167-Y170 PolarHBondContact O-N 3.29Å; N167-Y170 VanDerWaalsContact O-N 3.11Å; I168-Y170 VanDerWaalsContact C-N 3.32Å; Y170-C201 HydrophobicContact CD1-CB 4.18Å; Y170-C201 HydrophobicContact CD2-CB 3.51Å; Y170-C201 HydrophobicContact CE1-CB 4.45Å; Y170-C201 HydrophobicContact CE2-CB 3.81Å; Y170-C201 HydrophobicContact CG-CB 3.7Å; Y170-A202 VanDerWaalsContact CD1-C 3.47Å
171	D	78.4	Confident	74.9	Confident	50 Å²	50	54.1 Å²	54.1	27%	0.267	27%	0.266	S	S	.	.			trans	-106.9	-0.2	176.3	77.4	-43.4	0	0	0	112.3	Q84 N169 A203 I204 R229	Q84-D171 PolarHBondContact NE2-O 3.43Å; Q84-D171 PolarHBondContact OE1-O 2.91Å; N169-D171 PolarHBondContact O-N 2.66Å; D171-A203 WeakPolarHBondContact OD1-CA 3.45Å; D171-I204 WeakPolarHBondContact OD1-CG1 3.37Å; D171-I204 PolarHBondContact OD1-N 2.76Å; D171-R229 IonicContact OD2-CZ 2.88Å; D171-R229 IonicContact OD2-NE 2.8Å; D171-R229 PolarHBondContact OD2-NE 2.88Å; D171-R229 IonicContact OD2-NH2 3.53Å; D171-R229 PolarHBondContact OD2-NH2 2.79Å
172	G	82.8	Confident	75.1	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.2	-163.8	168	0	0	0	0	0	115.3	Q84 A202 C228	Q84-G172 VanDerWaalsContact OE1-CA 3.27Å; G172-A202 CarbonylContact C-O 3.52Å; G172-A202 PolarHBondContact N-O 3.5Å; G172-A202 PolarHBondContact O-N 2.97Å; G172-C228 CarbonylContact C-O 3.24Å; G172-C228 VanDerWaalsContact CA-O 3.27Å; G172-C228 WeakPolarHBondContact CA-O 3.27Å
173	C	83.5	Confident	75.1	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	147.4	175.5	-49.3	0	0	0	0	110.5	C86 Y227 C228 N234	C86-C173 WeakPolarHBondContact CA-SG 3.3Å; C86-C173 HydrophobicContact CB-CB 3.75Å; C86-C173 WeakPolarHBondContact CB-SG 3.34Å; C86-C173 WeakPolarHBondContact SG-CA 3.23Å; C86-C173 WeakPolarHBondContact SG-CB 3.43Å; C86-C173 CovalentContact SG-SG 2.02Å; C86-C173 PolarHBondContact SG-SG 3.47Å; C173-Y227 WeakPolarHBondContact O-CA 3.16Å; C173-C228 PolarHBondContact N-O 3.08Å; C173-C228 PolarHBondContact O-N 3.04Å; C173-N234 HydrophobicContact CB-CB 3.69Å
174	A	83.5	Confident	74.9	Confident	2 Å²	2	61.3 Å²	61.3	2%	0.017	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	146.7	170.4	0	0	0	0	0	111.5	R199 T200 A202 C226 Y227 N234	A174-R199 WeakPolarHBondContact O-CA 3.32Å; A174-T200 HydrophobicContact CB-CG2 4.18Å; A174-T200 PolarHBondContact N-O 3.37Å; A174-T200 PolarHBondContact O-N 2.8Å; A174-T200 VanDerWaalsContact O-N 3.08Å; A174-A202 HydrophobicContact CB-CB 3.56Å; A174-C226 CarbonylContact C-O 3.55Å; A174-C226 VanDerWaalsContact CA-O 3.3Å; A174-C226 WeakPolarHBondContact CA-O 3.42Å; A174-Y227 HydrophobicContact CB-CD1 3.97Å; A174-Y227 HydrophobicContact CB-CE1 3.91Å; A174-N234 PolarHBondContact O-ND2 3.13Å; A174-N234 VanDerWaalsContact O-ND2 3.16Å
175	K	84	Confident	74.2	Confident	33 Å²	33	63 Å²	63	14%	0.143	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	118.6	163.6	177.6	-178	-179.1	-177.1	0	108.6	V177 V197 S198 R199 I225 C226 N234	K175-V177 HydrophobicContact CD-CG2 4.48Å; K175-V177 HydrophobicContact CG-CG2 4.28Å; K175-V197 HydrophobicContact CG-CG1 4.37Å; K175-S198 CarbonylContact C-O 3.58Å; K175-S198 WeakPolarHBondContact CA-O 3.49Å; K175-R199 HydrophobicContact CB-CG 4.45Å; K175-R199 HydrophobicContact CG-CG 4.23Å; K175-I225 CarbonylContact O-C 3.5Å; K175-C226 HydrophobicContact CB-CB 4.35Å; K175-C226 PolarHBondContact N-O 3.21Å; K175-C226 PolarHBondContact O-N 3.22Å; K175-N234 HydrophobicContact CB-CB 4.27Å
176	I	80	Confident	73.3	Confident	49 Å²	49	71.5 Å²	71.5	25%	0.251	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	122.1	179.9	-54.2	166.8	0	0	0	108.1	V197 S198 T224 I225	I176-V197 CarbonylContact O-C 3.59Å; I176-V197 WeakPolarHBondContact O-CA 3.4Å; I176-S198 PolarHBondContact N-O 2.87Å; I176-S198 PolarHBondContact O-N 2.97Å; I176-T224 CarbonylContact C-O 3.5Å; I176-T224 WeakPolarHBondContact CA-O 3.33Å; I176-I225 HydrophobicContact CG1-CG1 4.27Å; I176-I225 HydrophobicContact CG1-CG2 4.19Å; I176-I225 HydrophobicContact CG2-CG1 4.22Å
177	V	79.7	Confident	72.8	Confident	23 Å²	23	70.2 Å²	70.2	14%	0.139	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	111.6	175.8	-177.7	0	0	0	0	108.4	K175 K179 V195 V196 V197 R223 T224	K175-V177 HydrophobicContact CD-CG2 4.48Å; K175-V177 HydrophobicContact CG-CG2 4.28Å; V177-K179 HydrophobicContact CG1-CG 4.39Å; V177-V195 HydrophobicContact CG1-CG1 4.21Å; V177-V196 CarbonylContact C-O 3.51Å; V177-V196 WeakPolarHBondContact CA-O 3.44Å; V177-V197 HydrophobicContact CG1-CG2 4.34Å; V177-V197 HydrophobicContact CG2-CG1 4.35Å; V177-V197 HydrophobicContact CG2-CG2 4.27Å; V177-R223 CarbonylContact O-C 3.52Å; V177-R223 VanDerWaalsContact O-CA 3.3Å; V177-R223 WeakPolarHBondContact O-CA 3.06Å; V177-T224 PolarHBondContact N-O 3.11Å; V177-T224 PolarHBondContact O-N 3.08Å
178	T	76.6	Confident	72.5	Confident	24 Å²	24	69.8 Å²	69.8	15%	0.147	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	123.1	175.3	-57.8	0	0	0	0	109.6	V195 V196 R222 R223	T178-V195 CarbonylContact O-C 3.47Å; T178-V195 WeakPolarHBondContact O-CA 3.45Å; T178-V196 PolarHBondContact N-O 2.81Å; T178-V196 PolarHBondContact O-N 3.08Å; T178-R222 CarbonylContact C-O 3.57Å; T178-R223 HydrophobicContact CG2-CG 3.86Å
179	K	75.1	Confident	72.4	Confident	91 Å²	91	68.5 Å²	68.5	40%	0.396	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	127	173.7	-63.4	-176.2	-178.9	-179.9	0	108.5	V177 L192 V195 M221 R222	V177-K179 HydrophobicContact CG1-CG 4.39Å; K179-L192 HydrophobicContact CB-CD1 3.83Å; K179-L192 HydrophobicContact CD-CD1 4.48Å; K179-L192 HydrophobicContact CG-CD1 4.32Å; K179-V195 HydrophobicContact CG-CG1 4.4Å; K179-V195 HydrophobicContact CG-CG2 4.31Å; K179-M221 CarbonylContact O-C 3.58Å; K179-M221 WeakPolarHBondContact O-CA 3.07Å; K179-R222 PolarHBondContact N-O 3.48Å; K179-R222 PolarHBondContact O-N 2.99Å
180	S	69.6	Low	72	Confident	20 Å²	20	67.2 Å²	67.2	14%	0.14	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	132.3	174.9	62.2	0	0	0	0	110	S193 A194	S180-S193 PolarHBondContact O-N 3.11Å; S180-A194 PolarHBondContact N-O 2.95Å; S180-A194 PolarHBondContact O-N 2.76Å; S180-A194 WeakPolarHBondContact OG-CB 2.91Å; S180-A194 PolarHBondContact OG-N 3.01Å; S180-A194 PolarHBondContact OG-O 3.16Å
181	W	70.5	Confident	71.7	Confident	86 Å²	86	66.7 Å²	66.7	33%	0.326	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	138.2	178.5	-62.6	79.4	0	0	0	109.2	P190 S191 L192 G220	W181-P190 HydrophobicContact CB-CB 4.22Å; W181-P190 HydrophobicContact CE3-CB 4.1Å; W181-S191 CarbonylContact C-O 3.6Å; W181-S191 WeakPolarHBondContact CA-O 3.45Å; W181-L192 HydrophobicContact CD2-CB 4.31Å; W181-L192 HydrophobicContact CD2-CD1 4.15Å; W181-L192 HydrophobicContact CE3-CB 4.04Å; W181-L192 VanDerWaalsContact CE3-N 3.35Å; W181-L192 HydrophobicContact CH2-CB 4.07Å; W181-L192 HydrophobicContact CZ2-CB 4.33Å; W181-L192 HydrophobicContact CZ2-CD1 3.97Å; W181-L192 HydrophobicContact CZ3-CB 3.91Å; W181-G220 WeakPolarHBondContact CB-O 3Å; W181-G220 VanDerWaalsContact CD1-O 3.26Å; W181-G220 PolarHBondContact N-O 2.88Å
182	R	68.7	Low	71.2	Confident	142 Å²	142	66.3 Å²	66.3	54%	0.536	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	138.2	173.4	-70	-176	175.6	171.3	-5.7	108.7	R184 S191 S193	R182-R184 PolarHBondContact O-N 3.12Å; R182-S191 PolarHBondContact N-O 2.02Å; R182-S191 PolarHBondContact O-N 3.34Å; R182-S193 WeakPolarHBondContact CD-OG 3.03Å
183	V	66.1	Low	70.4	Confident	102 Å²	102	67.3 Å²	67.3	62%	0.618	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	122.3	173.3	-177.6	0	0	0	0	107.7
184	R	63.1	Low	69.5	Low	93 Å²	93	67.4 Å²	67.4	35%	0.351	37%	0.365	S	S	.	.			trans	-77.1	129.3	170.8	-72.8	-172	-177	-175.3	3.2	108.1	E97 R182 Q186 L187 G188 S191	E97-R184 IonicContact OE2-CZ 3.3Å; E97-R184 VanDerWaalsContact OE2-CZ 3.3Å; E97-R184 IonicContact OE2-NH1 2.83Å; E97-R184 PolarHBondContact OE2-NH1 3.12Å; E97-R184 IonicContact OE2-NH2 3.37Å; E97-R184 PolarHBondContact OE2-NH2 2.98Å; R182-R184 PolarHBondContact O-N 3.12Å; R184-Q186 PolarHBondContact O-N 3.22Å; R184-Q186 VanDerWaalsContact O-N 3.08Å; R184-L187 HydrophobicContact CB-CB 4.49Å; R184-L187 PolarHBondContact O-N 3.08Å; R184-L187 VanDerWaalsContact O-N 3.13Å; R184-G188 PolarHBondContact O-N 3.04Å; R184-S191 PolarHBondContact NE-OG 3.31Å
185	S	61	Low	68.8	Low	124 Å²	124	68.7 Å²	68.7	87%	0.867	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-27.6	-178	48.9	0	0	0	0	113.7
186	Q	58.9	Low	68.3	Low	187 Å²	187	68.3 Å²	68.3	87%	0.874	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-15.3	-177.3	-68	178.2	-19.2	0	0	114.7	R184	R184-Q186 PolarHBondContact O-N 3.22Å; R184-Q186 VanDerWaalsContact O-N 3.08Å
187	L	60.1	Low	68	Low	117 Å²	117	66.5 Å²	66.5	61%	0.613	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.1	-21.3	-172.9	-73.4	162.5	0	0	0	113.3	R184 V189	R184-L187 HydrophobicContact CB-CB 4.49Å; R184-L187 PolarHBondContact O-N 3.08Å; R184-L187 VanDerWaalsContact O-N 3.13Å; L187-V189 HydrophobicContact CB-CB 4.45Å; L187-V189 WeakPolarHBondContact O-CG2 3.01Å; L187-V189 PolarHBondContact O-N 2.03Å
188	G	63.2	Low	67.8	Low	60 Å²	60	66.1 Å²	66.1	62%	0.619	36%	0.363	S	S	*	.			trans	64.4	-3.8	-172.4	0	0	0	0	0	114.4	R184	R184-G188 PolarHBondContact O-N 3.04Å
189	V	66.5	Low	67.8	Low	91 Å²	91	65.6 Å²	65.6	55%	0.552	36%	0.359	S	S	*	.	S	Bend	trans	-97.8	137.4	-179.1	-179.6	0	0	0	0	109.6	L187 S191	L187-V189 HydrophobicContact CB-CB 4.45Å; L187-V189 WeakPolarHBondContact O-CG2 3.01Å; L187-V189 PolarHBondContact O-N 2.03Å; V189-S191 PolarHBondContact O-N 3.41Å
190	P	65.9	Low	68	Low	73 Å²	73	62.3 Å²	62.3	47%	0.474	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	122.9	171.7	25.7	-34.2	0	0	0	110.7	W181	W181-P190 HydrophobicContact CB-CB 4.22Å; W181-P190 HydrophobicContact CE3-CB 4.1Å
191	S	67.6	Low	68.7	Low	34 Å²	34	61.8 Å²	61.8	24%	0.238	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	137.2	173.8	-175.7	0	0	0	0	109.9	W181 R182 R184 V189 S193	W181-S191 CarbonylContact C-O 3.6Å; W181-S191 WeakPolarHBondContact CA-O 3.45Å; R182-S191 PolarHBondContact N-O 2.02Å; R182-S191 PolarHBondContact O-N 3.34Å; R184-S191 PolarHBondContact NE-OG 3.31Å; V189-S191 PolarHBondContact O-N 3.41Å; S191-S193 PolarHBondContact O-N 3.5Å
192	L	67.7	Low	69.3	Low	42 Å²	42	58.3 Å²	58.3	22%	0.22	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	113.4	178.5	-177	68.6	0	0	0	109.2	L95 K179 W181 V195	L95-L192 HydrophobicContact CD1-CB 4.49Å; L95-L192 HydrophobicContact CD1-CD2 3.4Å; L95-L192 VanDerWaalsContact CD1-CD2 3.4Å; L95-L192 HydrophobicContact CD1-CG 3.77Å; K179-L192 HydrophobicContact CB-CD1 3.83Å; K179-L192 HydrophobicContact CD-CD1 4.48Å; K179-L192 HydrophobicContact CG-CD1 4.32Å; W181-L192 HydrophobicContact CD2-CB 4.31Å; W181-L192 HydrophobicContact CD2-CD1 4.15Å; W181-L192 HydrophobicContact CE3-CB 4.04Å; W181-L192 VanDerWaalsContact CE3-N 3.35Å; W181-L192 HydrophobicContact CH2-CB 4.07Å; W181-L192 HydrophobicContact CZ2-CB 4.33Å; W181-L192 HydrophobicContact CZ2-CD1 3.97Å; W181-L192 HydrophobicContact CZ3-CB 3.91Å; L192-V195 HydrophobicContact CD1-CG2 4.15Å; L192-V195 HydrophobicContact CD2-CG2 3.77Å; L192-V195 HydrophobicContact CG-CG2 4.19Å
193	S	68	Low	70	Confident	21 Å²	21	54 Å²	54	15%	0.147	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-39.9	-175.5	-173.9	0	0	0	0	112.5	L95 S180 R182 S191	L95-S193 PolarHBondContact N-O 3.12Å; S180-S193 PolarHBondContact O-N 3.11Å; R182-S193 WeakPolarHBondContact CD-OG 3.03Å; S191-S193 PolarHBondContact O-N 3.5Å
194	A	64.2	Low	70.7	Confident	1 Å²	1	50 Å²	50	1%	0.008	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	149.7	179.9	0	0	0	0	0	112.3	Y92 A93 S180	Y92-A194 HydrophobicContact CE2-CB 3.98Å; Y92-A194 VanDerWaalsContact OH-CB 3.31Å; Y92-A194 WeakPolarHBondContact OH-CB 3.08Å; A93-A194 CarbonylContact O-C 3.58Å; A93-A194 VanDerWaalsContact O-CA 3.28Å; A93-A194 WeakPolarHBondContact O-CA 3.19Å; S180-A194 PolarHBondContact N-O 2.95Å; S180-A194 PolarHBondContact O-N 2.76Å; S180-A194 WeakPolarHBondContact OG-CB 2.91Å; S180-A194 PolarHBondContact OG-N 3.01Å; S180-A194 PolarHBondContact OG-O 3.16Å
195	V	68.9	Low	71.5	Confident	29 Å²	29	48 Å²	48	18%	0.176	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	126.6	171.3	-175.5	0	0	0	0	108.6	A93 L95 V177 T178 K179 L192 V197	A93-V195 PolarHBondContact N-O 3.43Å; A93-V195 PolarHBondContact O-N 3.34Å; L95-V195 HydrophobicContact CD1-CG2 4.05Å; V177-V195 HydrophobicContact CG1-CG1 4.21Å; T178-V195 CarbonylContact O-C 3.47Å; T178-V195 WeakPolarHBondContact O-CA 3.45Å; K179-V195 HydrophobicContact CG-CG1 4.4Å; K179-V195 HydrophobicContact CG-CG2 4.31Å; L192-V195 HydrophobicContact CD1-CG2 4.15Å; L192-V195 HydrophobicContact CD2-CG2 3.77Å; L192-V195 HydrophobicContact CG-CG2 4.19Å; V195-V197 HydrophobicContact CG1-CG2 4.2Å
196	V	72	Confident	72	Confident	25 Å²	25	51.7 Å²	51.7	15%	0.152	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	122.9	175	-168.3	0	0	0	0	108.4	N91 Y92 V177 T178	N91-V196 CarbonylContact O-C 3.52Å; N91-V196 WeakPolarHBondContact O-CA 3.17Å; N91-V196 WeakPolarHBondContact O-CG1 3.35Å; Y92-V196 HydrophobicContact CD2-CG2 3.54Å; Y92-V196 HydrophobicContact CE2-CG2 3.83Å; V177-V196 CarbonylContact C-O 3.51Å; V177-V196 WeakPolarHBondContact CA-O 3.44Å; T178-V196 PolarHBondContact N-O 2.81Å; T178-V196 PolarHBondContact O-N 3.08Å
197	V	74.1	Confident	72.5	Confident	11 Å²	11	46.8 Å²	46.8	7%	0.067	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	109.4	174.6	-177.9	0	0	0	0	108.1	N91 K175 I176 V177 V195	N91-V197 HydrophobicContact CB-CB 4.3Å; N91-V197 PolarHBondContact N-O 3.5Å; N91-V197 PolarHBondContact O-N 3.35Å; K175-V197 HydrophobicContact CG-CG1 4.37Å; I176-V197 CarbonylContact O-C 3.59Å; I176-V197 WeakPolarHBondContact O-CA 3.4Å; V177-V197 HydrophobicContact CG1-CG2 4.34Å; V177-V197 HydrophobicContact CG2-CG1 4.35Å; V177-V197 HydrophobicContact CG2-CG2 4.27Å; V195-V197 HydrophobicContact CG1-CG2 4.2Å
198	S	74.8	Confident	73	Confident	16 Å²	16	47.2 Å²	47.2	11%	0.112	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	141	173.8	-176.3	0	0	0	0	110.1	C89 D90 K175 I176	C89-S198 CarbonylContact O-C 3.43Å; C89-S198 WeakPolarHBondContact O-CA 3.33Å; D90-S198 VanDerWaalsContact OD1-CA 3.27Å; D90-S198 WeakPolarHBondContact OD1-CA 3.25Å; D90-S198 WeakPolarHBondContact OD1-CB 3.39Å; D90-S198 PolarHBondContact OD1-OG 2.97Å; K175-S198 CarbonylContact C-O 3.58Å; K175-S198 WeakPolarHBondContact CA-O 3.49Å; I176-S198 PolarHBondContact N-O 2.87Å; I176-S198 PolarHBondContact O-N 2.97Å
199	R	78	Confident	73.5	Confident	13 Å²	13	46.2 Å²	46.2	5%	0.049	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	134.5	174	-60.1	-170.2	-178.5	91.7	-6	108.4	Y87 V88 C89 C144 A174 K175 N234	Y87-R199 CarbonylContact O-C 3.55Å; Y87-R199 VanDerWaalsContact O-C 3.24Å; Y87-R199 WeakPolarHBondContact O-CB 3.49Å; V88-R199 WeakPolarHBondContact CA-O 3.42Å; C89-R199 PolarHBondContact N-O 3.12Å; C89-R199 PolarHBondContact O-N 3.39Å; C89-R199 WeakPolarHBondContact SG-CB 3.45Å; C89-R199 WeakPolarHBondContact SG-CD 3.28Å; C89-R199 WeakPolarHBondContact SG-CG 3.48Å; C89-R199 PolarHBondContact SG-NH1 2.97Å; C144-R199 PolarHBondContact O-NH1 2.92Å; A174-R199 WeakPolarHBondContact O-CA 3.32Å; K175-R199 HydrophobicContact CB-CG 4.45Å; K175-R199 HydrophobicContact CG-CG 4.23Å; R199-N234 WeakPolarHBondContact CB-ND2 3.12Å; R199-N234 WeakPolarHBondContact CD-O 3.41Å; R199-N234 PolarHBondContact NE-O 2.75Å
200	T	79.7	Confident	74.3	Confident	21 Å²	21	45.8 Å²	45.8	13%	0.129	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	163.7	-176.1	-177.8	0	0	0	0	111.1	Y87 A174	Y87-T200 PolarHBondContact O-N 3.19Å; A174-T200 HydrophobicContact CB-CG2 4.18Å; A174-T200 PolarHBondContact N-O 3.37Å; A174-T200 PolarHBondContact O-N 2.8Å; A174-T200 VanDerWaalsContact O-N 3.08Å
201	C	83.7	Confident	74.9	Confident	10 Å²	10	43.6 Å²	43.6	7%	0.068	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	139.5	157.8	-57.5	0	0	0	0	109.5	C165 Y170	C165-C201 WeakPolarHBondContact CA-SG 3.3Å; C165-C201 HydrophobicContact CB-CB 3.78Å; C165-C201 WeakPolarHBondContact CB-SG 3.35Å; C165-C201 WeakPolarHBondContact SG-CB 3.12Å; C165-C201 CovalentContact SG-SG 2.03Å; C165-C201 PolarHBondContact SG-SG 2.8Å; Y170-C201 HydrophobicContact CD1-CB 4.18Å; Y170-C201 HydrophobicContact CD2-CB 3.51Å; Y170-C201 HydrophobicContact CE1-CB 4.45Å; Y170-C201 HydrophobicContact CE2-CB 3.81Å; Y170-C201 HydrophobicContact CG-CB 3.7Å
202	A	83.3	Confident	75.8	Confident	13 Å²	13	46 Å²	46	11%	0.107	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	146	178.9	0	0	0	0	0	111.1	Y170 G172 A174 Y227	Y170-A202 VanDerWaalsContact CD1-C 3.47Å; G172-A202 CarbonylContact C-O 3.52Å; G172-A202 PolarHBondContact N-O 3.5Å; G172-A202 PolarHBondContact O-N 2.97Å; A174-A202 HydrophobicContact CB-CB 3.56Å; A202-Y227 HydrophobicContact CB-CD1 4.31Å; A202-Y227 HydrophobicContact CB-CE1 4.01Å
203	A	83.5	Confident	76.4	Confident	52 Å²	52	47.2 Å²	47.2	43%	0.43	30%	0.295	S	S	.	.			trans	-83.6	121.3	163.5	0	0	0	0	0	106.4	N169 D171 P205	N169-A203 WeakPolarHBondContact O-CB 3.27Å; D171-A203 WeakPolarHBondContact OD1-CA 3.45Å; A203-P205 VanDerWaalsContact O-CD 3.31Å; A203-P205 WeakPolarHBondContact O-CD 3.45Å
204	I	80.9	Confident	77	Confident	16 Å²	16	52.6 Å²	52.6	8%	0.082	32%	0.323	C	S	.	.			trans	-72.3	113.7	179.7	-60.4	175.9	0	0	0	106.8	D171 Y208 V210 Y227 R229	D171-I204 WeakPolarHBondContact OD1-CG1 3.37Å; D171-I204 PolarHBondContact OD1-N 2.76Å; I204-Y208 WeakPolarHBondContact CG2-O 3.4Å; I204-V210 HydrophobicContact CD1-CG2 4.16Å; I204-Y227 HydrophobicContact CG1-CD1 4.11Å; I204-Y227 HydrophobicContact CG1-CG 4.25Å; I204-Y227 HydrophobicContact CG2-CG 4.47Å; I204-R229 HydrophobicContact CD1-CG 3.82Å
205	P	79.3	Confident	77.4	Confident	52 Å²	52	55.2 Å²	55.2	34%	0.338	34%	0.341	S	S	.	.			trans	-65.2	141.6	-174.4	21.1	-25.7	0	0	0	110.6	A203 G207 Y208	A203-P205 VanDerWaalsContact O-CD 3.31Å; A203-P205 WeakPolarHBondContact O-CD 3.45Å; P205-G207 PolarHBondContact O-N 2.77Å; P205-G207 VanDerWaalsContact O-N 3.13Å; P205-Y208 HydrophobicContact CB-CD2 4.35Å; P205-Y208 HydrophobicContact CG-CD2 3.75Å; P205-Y208 HydrophobicContact CG-CG 4.03Å; P205-Y208 PolarHBondContact O-N 2.82Å
206	E	71.2	Confident	77.5	Confident	202 Å²	202	59.9 Å²	59.9	94%	0.944	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	118.3	175.1	-62.5	-178.6	179.8	0	0	109
207	G	70.9	Confident	77	Confident	83 Å²	83	59.8 Å²	59.8	86%	0.856	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	109.2	-18.9	-173	0	0	0	0	0	114.6	P205	P205-G207 PolarHBondContact O-N 2.77Å; P205-G207 VanDerWaalsContact O-N 3.13Å
208	Y	69.4	Low	76.3	Confident	126 Å²	126	62.3 Å²	62.3	49%	0.494	40%	0.401	S	S	.	.			trans	-101.3	125.3	167.9	-72.4	-100.7	0	0	0	109.5	I204 P205 F213	I204-Y208 WeakPolarHBondContact CG2-O 3.4Å; P205-Y208 HydrophobicContact CB-CD2 4.35Å; P205-Y208 HydrophobicContact CG-CD2 3.75Å; P205-Y208 HydrophobicContact CG-CG 4.03Å; P205-Y208 PolarHBondContact O-N 2.82Å; Y208-F213 HydrophobicContact CD1-CB 4.39Å; Y208-F213 AromaticContact CD1-CD1 3.69Å; Y208-F213 HydrophobicContact CD1-CD1 3.69Å; Y208-F213 AromaticContact CD1-CD2 3.77Å; Y208-F213 HydrophobicContact CD1-CD2 3.77Å; Y208-F213 AromaticContact CD1-CE1 3.83Å; Y208-F213 HydrophobicContact CD1-CE1 3.83Å; Y208-F213 AromaticContact CD1-CE2 3.93Å; Y208-F213 HydrophobicContact CD1-CE2 3.93Å; Y208-F213 AromaticContact CD1-CG 3.65Å; Y208-F213 HydrophobicContact CD1-CG 3.65Å; Y208-F213 AromaticContact CD1-CZ 3.95Å; Y208-F213 HydrophobicContact CD1-CZ 3.95Å; Y208-F213 HydrophobicContact CE1-CB 4.24Å; Y208-F213 AromaticContact CE1-CD1 3.94Å; Y208-F213 HydrophobicContact CE1-CD1 3.94Å; Y208-F213 HydrophobicContact CE1-CD2 4.45Å; Y208-F213 HydrophobicContact CE1-CE1 4.45Å; Y208-F213 AromaticContact CE1-CG 3.93Å; Y208-F213 HydrophobicContact CE1-CG 3.93Å
209	G	74.8	Confident	75.8	Confident	39 Å²	39	66 Å²	66	40%	0.402	43%	0.433	S	S	.	.			trans	-78.5	178.6	173	0	0	0	0	0	112.9	G211 F213	G209-G211 PolarHBondContact O-N 2.98Å; G209-F213 VanDerWaalsContact O-CE2 3.27Å; G209-F213 WeakPolarHBondContact O-CE2 3.3Å; G209-F213 WeakPolarHBondContact O-CZ 3.41Å
210	V	81.4	Confident	75.2	Confident	82 Å²	82	67.4 Å²	67.4	50%	0.497	45%	0.451	S	S	.	.	S	Bend	trans	-65.7	128.1	159.7	167.6	0	0	0	0	108.1	I204 R229	I204-V210 HydrophobicContact CD1-CG2 4.16Å; V210-R229 HydrophobicContact CG2-CG 3.86Å
211	G	80.3	Confident	74.6	Confident	27 Å²	27	68 Å²	68	28%	0.278	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	149.7	-179.9	-173.5	0	0	0	0	0	112.8	G209 F213 C226 Y227	G209-G211 PolarHBondContact O-N 2.98Å; G211-F213 WeakPolarHBondContact O-CE2 3.27Å; G211-C226 CarbonylContact O-C 3.55Å; G211-C226 VanDerWaalsContact O-CA 3.22Å; G211-C226 WeakPolarHBondContact O-CA 3.47Å; G211-Y227 PolarHBondContact N-O 2.76Å; G211-Y227 PolarHBondContact O-N 2.74Å
212	C	84.9	Confident	74.1	Confident	85 Å²	85	75.4 Å²	75.4	57%	0.574	48%	0.48	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.2	129.1	179.2	-65.3	0	0	0	0	111.3	T224 I225 C226	C212-T224 HydrophobicContact CB-CG2 4.16Å; C212-I225 CarbonylContact C-O 3.52Å; C212-I225 WeakPolarHBondContact CA-O 3.07Å; C212-C226 HydrophobicContact CB-CB 4.1Å; C212-C226 WeakPolarHBondContact CB-SG 2.96Å; C212-C226 WeakPolarHBondContact SG-CB 3.09Å; C212-C226 CovalentContact SG-SG 2.04Å; C212-C226 PolarHBondContact SG-SG 2.56Å
213	F	81.2	Confident	73.8	Confident	67 Å²	67	79.7 Å²	79.7	29%	0.294	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	127.9	-177.6	-55	-86.1	0	0	0	109	Y208 G209 G211 T224 I225 Y227	Y208-F213 HydrophobicContact CD1-CB 4.39Å; Y208-F213 AromaticContact CD1-CD1 3.69Å; Y208-F213 HydrophobicContact CD1-CD1 3.69Å; Y208-F213 AromaticContact CD1-CD2 3.77Å; Y208-F213 HydrophobicContact CD1-CD2 3.77Å; Y208-F213 AromaticContact CD1-CE1 3.83Å; Y208-F213 HydrophobicContact CD1-CE1 3.83Å; Y208-F213 AromaticContact CD1-CE2 3.93Å; Y208-F213 HydrophobicContact CD1-CE2 3.93Å; Y208-F213 AromaticContact CD1-CG 3.65Å; Y208-F213 HydrophobicContact CD1-CG 3.65Å; Y208-F213 AromaticContact CD1-CZ 3.95Å; Y208-F213 HydrophobicContact CD1-CZ 3.95Å; Y208-F213 HydrophobicContact CE1-CB 4.24Å; Y208-F213 AromaticContact CE1-CD1 3.94Å; Y208-F213 HydrophobicContact CE1-CD1 3.94Å; Y208-F213 HydrophobicContact CE1-CD2 4.45Å; Y208-F213 HydrophobicContact CE1-CE1 4.45Å; Y208-F213 AromaticContact CE1-CG 3.93Å; Y208-F213 HydrophobicContact CE1-CG 3.93Å; G209-F213 VanDerWaalsContact O-CE2 3.27Å; G209-F213 WeakPolarHBondContact O-CE2 3.3Å; G209-F213 WeakPolarHBondContact O-CZ 3.41Å; G211-F213 WeakPolarHBondContact O-CE2 3.27Å; F213-T224 CarbonylContact O-C 3.57Å; F213-T224 VanDerWaalsContact O-CA 3.32Å; F213-T224 WeakPolarHBondContact O-CA 3.4Å; F213-I225 PolarHBondContact N-O 3.13Å; F213-I225 PolarHBondContact O-N 2.87Å; F213-Y227 HydrophobicContact CD2-CD2 4.02Å; F213-Y227 HydrophobicContact CD2-CE2 4.36Å; F213-Y227 AromaticContact CE2-CD2 3.9Å; F213-Y227 HydrophobicContact CE2-CD2 3.9Å
214	N	81.1	Confident	73.7	Confident	135 Å²	135	79 Å²	79	72%	0.722	48%	0.484	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91	134.5	175.1	-64.9	-45.2	0	0	0	109.3	R223 T224	N214-R223 CarbonylContact C-O 3.51Å; N214-R223 WeakPolarHBondContact CA-O 3.35Å; N214-T224 WeakPolarHBondContact OD1-CB 3.33Å; N214-T224 WeakPolarHBondContact OD1-CG2 3.37Å; N214-T224 PolarHBondContact OD1-OG1 2.72Å
215	S	71.8	Confident	73.7	Confident	56 Å²	56	80.3 Å²	80.3	39%	0.392	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	133.3	172.3	171.9	0	0	0	0	108.2	R223	S215-R223 PolarHBondContact N-O 2.91Å; S215-R223 PolarHBondContact O-N 3.14Å
216	V	70.8	Confident	73.9	Confident	126 Å²	126	79.1 Å²	79.1	76%	0.764	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.1	124.3	169.8	-69.7	0	0	0	0	107.9
217	G	61.6	Low	74.5	Confident	24 Å²	24	71.3 Å²	71.3	25%	0.247	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	159.1	169.4	0	0	0	0	0	110.2	M221	G217-M221 WeakPolarHBondContact CA-O 3.22Å; G217-M221 PolarHBondContact N-O 3.3Å
218	G	61	Low	75.1	Confident	63 Å²	63	68.4 Å²	68.4	65%	0.649	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	161.7	167.2	0	0	0	0	0	112.1	G220 M221	G218-G220 PolarHBondContact O-N 2.85Å; G218-M221 PolarHBondContact O-N 3.46Å
219	A	63.6	Low	75.8	Confident	93 Å²	93	69 Å²	69	77%	0.769	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.7	38.9	175.1	0	0	0	0	0	115.8	M221	A219-M221 VanDerWaalsContact C-N 3.27Å; A219-M221 PolarHBondContact O-N 2.04Å
220	G	65.2	Low	76	Confident	43 Å²	43	69 Å²	69	44%	0.443	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.8	18.6	175	0	0	0	0	0	114	W181 G218	W181-G220 WeakPolarHBondContact CB-O 3Å; W181-G220 VanDerWaalsContact CD1-O 3.26Å; W181-G220 PolarHBondContact N-O 2.88Å; G218-G220 PolarHBondContact O-N 2.85Å
221	M	68	Low	76	Confident	35 Å²	35	69.4 Å²	69.4	17%	0.172	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	134.8	175.1	-62.5	-168.6	-172.9	0	0	111	F112 K179 G217 G218 A219	F112-M221 HydrophobicContact CD1-CE 4.14Å; F112-M221 HydrophobicContact CE1-CE 4.04Å; F112-M221 HydrophobicContact CZ-CE 4.4Å; K179-M221 CarbonylContact O-C 3.58Å; K179-M221 WeakPolarHBondContact O-CA 3.07Å; G217-M221 WeakPolarHBondContact CA-O 3.22Å; G217-M221 PolarHBondContact N-O 3.3Å; G218-M221 PolarHBondContact O-N 3.46Å; A219-M221 VanDerWaalsContact C-N 3.27Å; A219-M221 PolarHBondContact O-N 2.04Å
222	R	71.9	Confident	75.8	Confident	164 Å²	164	69.9 Å²	69.9	62%	0.619	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.3	123.6	171.7	-67.3	-173.8	176.6	174.9	-0.3	109.2	T178 K179	T178-R222 CarbonylContact C-O 3.57Å; K179-R222 PolarHBondContact N-O 3.48Å; K179-R222 PolarHBondContact O-N 2.99Å
223	R	76.6	Confident	75.6	Confident	104 Å²	104	67.8 Å²	67.8	39%	0.392	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	137.8	178.5	-63.6	-173.1	178.5	141.1	0.4	109.6	V177 T178 N214 S215	V177-R223 CarbonylContact O-C 3.52Å; V177-R223 VanDerWaalsContact O-CA 3.3Å; V177-R223 WeakPolarHBondContact O-CA 3.06Å; T178-R223 HydrophobicContact CG2-CG 3.86Å; N214-R223 CarbonylContact C-O 3.51Å; N214-R223 WeakPolarHBondContact CA-O 3.35Å; S215-R223 PolarHBondContact N-O 2.91Å; S215-R223 PolarHBondContact O-N 3.14Å
224	T	81.4	Confident	75.5	Confident	37 Å²	37	64.8 Å²	64.8	23%	0.227	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	120	170.4	-57	0	0	0	0	107.7	I176 V177 C212 F213 N214	I176-T224 CarbonylContact C-O 3.5Å; I176-T224 WeakPolarHBondContact CA-O 3.33Å; V177-T224 PolarHBondContact N-O 3.11Å; V177-T224 PolarHBondContact O-N 3.08Å; C212-T224 HydrophobicContact CB-CG2 4.16Å; F213-T224 CarbonylContact O-C 3.57Å; F213-T224 VanDerWaalsContact O-CA 3.32Å; F213-T224 WeakPolarHBondContact O-CA 3.4Å; N214-T224 WeakPolarHBondContact OD1-CB 3.33Å; N214-T224 WeakPolarHBondContact OD1-CG2 3.37Å; N214-T224 PolarHBondContact OD1-OG1 2.72Å
225	I	81.3	Confident	75.2	Confident	44 Å²	44	61.6 Å²	61.6	23%	0.226	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	120.6	179.4	-55.3	174.5	0	0	0	107.5	K175 I176 C212 F213 Y227	K175-I225 CarbonylContact O-C 3.5Å; I176-I225 HydrophobicContact CG1-CG1 4.27Å; I176-I225 HydrophobicContact CG1-CG2 4.19Å; I176-I225 HydrophobicContact CG2-CG1 4.22Å; C212-I225 CarbonylContact C-O 3.52Å; C212-I225 WeakPolarHBondContact CA-O 3.07Å; F213-I225 PolarHBondContact N-O 3.13Å; F213-I225 PolarHBondContact O-N 2.87Å; I225-Y227 HydrophobicContact CG2-CD2 4.33Å; I225-Y227 HydrophobicContact CG2-CE1 4.14Å; I225-Y227 HydrophobicContact CG2-CE2 3.72Å
226	C	84	Confident	74.7	Confident	26 Å²	26	60.9 Å²	60.9	18%	0.176	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	122.4	176.5	-57.5	0	0	0	0	110.2	A174 K175 G211 C212	A174-C226 CarbonylContact C-O 3.55Å; A174-C226 VanDerWaalsContact CA-O 3.3Å; A174-C226 WeakPolarHBondContact CA-O 3.42Å; K175-C226 HydrophobicContact CB-CB 4.35Å; K175-C226 PolarHBondContact N-O 3.21Å; K175-C226 PolarHBondContact O-N 3.22Å; G211-C226 CarbonylContact O-C 3.55Å; G211-C226 VanDerWaalsContact O-CA 3.22Å; G211-C226 WeakPolarHBondContact O-CA 3.47Å; C212-C226 HydrophobicContact CB-CB 4.1Å; C212-C226 WeakPolarHBondContact CB-SG 2.96Å; C212-C226 WeakPolarHBondContact SG-CB 3.09Å; C212-C226 CovalentContact SG-SG 2.04Å; C212-C226 PolarHBondContact SG-SG 2.56Å
227	Y	82.7	Confident	74	Confident	38 Å²	38	58.9 Å²	58.9	15%	0.149	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	141.8	171.5	-63.7	-69.6	0	0	0	110.3	C173 A174 A202 I204 G211 F213 I225	C173-Y227 WeakPolarHBondContact O-CA 3.16Å; A174-Y227 HydrophobicContact CB-CD1 3.97Å; A174-Y227 HydrophobicContact CB-CE1 3.91Å; A202-Y227 HydrophobicContact CB-CD1 4.31Å; A202-Y227 HydrophobicContact CB-CE1 4.01Å; I204-Y227 HydrophobicContact CG1-CD1 4.11Å; I204-Y227 HydrophobicContact CG1-CG 4.25Å; I204-Y227 HydrophobicContact CG2-CG 4.47Å; G211-Y227 PolarHBondContact N-O 2.76Å; G211-Y227 PolarHBondContact O-N 2.74Å; F213-Y227 HydrophobicContact CD2-CD2 4.02Å; F213-Y227 HydrophobicContact CD2-CE2 4.36Å; F213-Y227 AromaticContact CE2-CD2 3.9Å; F213-Y227 HydrophobicContact CE2-CD2 3.9Å; I225-Y227 HydrophobicContact CG2-CD2 4.33Å; I225-Y227 HydrophobicContact CG2-CE1 4.14Å; I225-Y227 HydrophobicContact CG2-CE2 3.72Å
228	C	84.3	Confident	73.4	Confident	22 Å²	22	66 Å²	66	15%	0.149	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	159	174.6	63.2	0	0	0	0	110.9	G172 C173 C233 N234	G172-C228 CarbonylContact C-O 3.24Å; G172-C228 VanDerWaalsContact CA-O 3.27Å; G172-C228 WeakPolarHBondContact CA-O 3.27Å; C173-C228 PolarHBondContact N-O 3.08Å; C173-C228 PolarHBondContact O-N 3.04Å; C228-C233 HydrophobicContact CB-CB 3.71Å; C228-C233 WeakPolarHBondContact CB-SG 3.47Å; C228-C233 PolarHBondContact O-SG 2.91Å; C228-C233 VanDerWaalsContact O-SG 3.33Å; C228-C233 WeakPolarHBondContact SG-CB 3.42Å; C228-C233 PolarHBondContact SG-O 2.78Å; C228-C233 CovalentContact SG-SG 2.04Å; C228-C233 PolarHBondContact SG-SG 2.77Å; C228-N234 PolarHBondContact SG-N 2.79Å
229	R	84.7	Confident	72.7	Confident	140 Å²	140	68.1 Å²	68.1	53%	0.528	37%	0.367	S	S	.	.			trans	-112.8	149.2	175.1	-65.5	-170.8	171.4	107.8	2.9	110.3	D171 I204 V210	D171-R229 IonicContact OD2-CZ 2.88Å; D171-R229 IonicContact OD2-NE 2.8Å; D171-R229 PolarHBondContact OD2-NE 2.88Å; D171-R229 IonicContact OD2-NH2 3.53Å; D171-R229 PolarHBondContact OD2-NH2 2.79Å; I204-R229 HydrophobicContact CD1-CG 3.82Å; V210-R229 HydrophobicContact CG2-CG 3.86Å
230	G	79.4	Confident	71.9	Confident	37 Å²	37	72.7 Å²	72.7	38%	0.381	37%	0.369	S	S	.	.	S	Bend	trans	103	161.3	-179	0	0	0	0	0	113.5	F232 C233	G230-F232 PolarHBondContact O-N 3.13Å; G230-C233 WeakPolarHBondContact O-CB 3.22Å; G230-C233 PolarHBondContact O-N 2.92Å; G230-C233 PolarHBondContact O-SG 2.77Å
231	N	79.6	Confident	71.1	Confident	92 Å²	92	76 Å²	76	49%	0.492	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	129.1	-175.8	-69.9	-21.4	0	0	0	111.3	H85 C233	H85-N231 HydrophobicContact CB-CB 4.41Å; H85-N231 PolarHBondContact N-OD1 3.37Å; H85-N231 CarbonylContact O-C 3.48Å; H85-N231 VanDerWaalsContact O-CA 3.31Å; H85-N231 WeakPolarHBondContact O-CA 3.31Å; N231-C233 PolarHBondContact O-N 2.9Å; N231-C233 VanDerWaalsContact O-N 3.09Å
232	F	77.2	Confident	70.4	Confident	36 Å²	36	80 Å²	80	16%	0.158	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	24.7	176.6	-62.4	-72.2	0	0	0	114	H85 Y87 I157 Y162 G230 N234 H235	H85-F232 HydrophobicContact CB-CD2 4.02Å; H85-F232 HydrophobicContact CB-CE1 4.13Å; H85-F232 HydrophobicContact CB-CE2 3.44Å; H85-F232 VanDerWaalsContact CB-CE2 3.44Å; H85-F232 HydrophobicContact CB-CZ 3.52Å; H85-F232 PolarHBondContact O-N 3.18Å; Y87-F232 HydrophobicContact CD1-CD1 4.13Å; Y87-F232 HydrophobicContact CD2-CB 4.04Å; Y87-F232 AromaticContact CD2-CD1 3.91Å; Y87-F232 HydrophobicContact CD2-CD1 3.91Å; Y87-F232 HydrophobicContact CD2-CG 4.48Å; Y87-F232 HydrophobicContact CE1-CD1 4.09Å; Y87-F232 HydrophobicContact CE2-CB 3.54Å; Y87-F232 AromaticContact CE2-CD1 3.86Å; Y87-F232 HydrophobicContact CE2-CD1 3.86Å; Y87-F232 HydrophobicContact CE2-CG 4.11Å; Y87-F232 WeakPolarHBondContact CE2-O 3.35Å; Y87-F232 HydrophobicContact CG-CD1 4.06Å; Y87-F232 AromaticContact CZ-CD1 3.95Å; I157-F232 HydrophobicContact CB-CZ 4.39Å; I157-F232 HydrophobicContact CG1-CE1 4.16Å; I157-F232 HydrophobicContact CG1-CZ 4.19Å; I157-F232 HydrophobicContact CG2-CD2 4.2Å; I157-F232 HydrophobicContact CG2-CE2 3.62Å; I157-F232 HydrophobicContact CG2-CZ 3.82Å; Y162-F232 HydrophobicContact CD1-CE1 4.1Å; Y162-F232 HydrophobicContact CD1-CZ 4.47Å; Y162-F232 HydrophobicContact CE1-CE1 4.24Å; G230-F232 PolarHBondContact O-N 3.13Å; F232-N234 PolarHBondContact O-N 3.5Å; F232-H235 PolarHBondContact O-N 2.83Å
233	C	81.2	Confident	69.6	Low	41 Å²	41	77.8 Å²	77.8	28%	0.277	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-22.5	-176.5	67.9	0	0	0	0	113.4	C228 G230 N231 H235	C228-C233 HydrophobicContact CB-CB 3.71Å; C228-C233 WeakPolarHBondContact CB-SG 3.47Å; C228-C233 PolarHBondContact O-SG 2.91Å; C228-C233 VanDerWaalsContact O-SG 3.33Å; C228-C233 WeakPolarHBondContact SG-CB 3.42Å; C228-C233 PolarHBondContact SG-O 2.78Å; C228-C233 CovalentContact SG-SG 2.04Å; C228-C233 PolarHBondContact SG-SG 2.77Å; G230-C233 WeakPolarHBondContact O-CB 3.22Å; G230-C233 PolarHBondContact O-N 2.92Å; G230-C233 PolarHBondContact O-SG 2.77Å; N231-C233 PolarHBondContact O-N 2.9Å; N231-C233 VanDerWaalsContact O-N 3.09Å; C233-H235 PolarHBondContact O-N 3.28Å; C233-H235 VanDerWaalsContact O-N 3.08Å
234	N	78.9	Confident	68.8	Low	4 Å²	4	80 Å²	80	2%	0.021	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	16	179.6	63	-13.2	0	0	0	113.3	Y87 C173 A174 K175 R199 C228 F232	Y87-N234 WeakPolarHBondContact CB-OD1 3.28Å; Y87-N234 WeakPolarHBondContact CD2-OD1 3.37Å; Y87-N234 PolarHBondContact N-OD1 2.96Å; Y87-N234 PolarHBondContact O-ND2 2.82Å; C173-N234 HydrophobicContact CB-CB 3.69Å; A174-N234 PolarHBondContact O-ND2 3.13Å; A174-N234 VanDerWaalsContact O-ND2 3.16Å; K175-N234 HydrophobicContact CB-CB 4.27Å; R199-N234 WeakPolarHBondContact CB-ND2 3.12Å; R199-N234 WeakPolarHBondContact CD-O 3.41Å; R199-N234 PolarHBondContact NE-O 2.75Å; C228-N234 PolarHBondContact SG-N 2.79Å; F232-N234 PolarHBondContact O-N 3.5Å
235	H	73.4	Confident	67.9	Low	69 Å²	69	85.6 Å²	85.6	32%	0.319	43%	0.425	S	S	.	.	S	Bend	trans	-57.2	149.9	166.8	178.9	-100.6	0	0	0	111.8	Y87 F232 C233 V237	Y87-H235 HydrophobicContact CD2-CB 4.32Å; Y87-H235 HydrophobicContact CE2-CB 3.8Å; F232-H235 PolarHBondContact O-N 2.83Å; C233-H235 PolarHBondContact O-N 3.28Å; C233-H235 VanDerWaalsContact O-N 3.08Å; H235-V237 VanDerWaalsContact C-N 3.28Å; H235-V237 VanDerWaalsContact ND1-CG2 3.32Å; H235-V237 WeakPolarHBondContact ND1-CG2 3.37Å; H235-V237 PolarHBondContact ND1-N 2.87Å; H235-V237 PolarHBondContact O-N 3.21Å
236	S	62.9	Low	67.2	Low	40 Å²	40	88.7 Å²	88.7	28%	0.28	44%	0.437	S	S	.	.			trans	-77.3	76	170.7	49.8	0	0	0	0	110.9	K238	S236-K238 PolarHBondContact O-N 3.44Å
237	V	54.8	Low	66.6	Low	85 Å²	85	92.5 Å²	92.5	52%	0.515	46%	0.455	S	S	.	.			trans	-78.8	119.9	161	-174.7	0	0	0	0	106.7	H235 T239	H235-V237 VanDerWaalsContact C-N 3.28Å; H235-V237 VanDerWaalsContact ND1-CG2 3.32Å; H235-V237 WeakPolarHBondContact ND1-CG2 3.37Å; H235-V237 PolarHBondContact ND1-N 2.87Å; H235-V237 PolarHBondContact O-N 3.21Å; V237-T239 HydrophobicContact CB-CG2 4.16Å; V237-T239 HydrophobicContact CG1-CG2 3.91Å; V237-T239 PolarHBondContact O-N 3.19Å
238	K	50.5	Low	66.3	Low	174 Å²	174	95.5 Å²	95.5	76%	0.757	47%	0.472	S	S	*	.			trans	-66	79.2	166.3	-71.4	-177.1	179.4	179.8	0	107.8	S236 K240	S236-K238 PolarHBondContact O-N 3.44Å; K238-K240 PolarHBondContact O-N 2.84Å
239	T	45.4	Very low	65.9	Low	106 Å²	106	99.4 Å²	99.4	65%	0.65	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	8.7	-179.6	37.5	0	0	0	0	114	V237	V237-T239 HydrophobicContact CB-CG2 4.16Å; V237-T239 HydrophobicContact CG1-CG2 3.91Å; V237-T239 PolarHBondContact O-N 3.19Å
240	K	47	Very low	65.5	Low	189 Å²	189	96.7 Å²	96.7	82%	0.822	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-15.9	177.7	-87.2	-169.4	172.1	-171.2	0	115.2	K238	K238-K240 PolarHBondContact O-N 2.84Å
241	E	47.2	Very low	65.6	Low	113 Å²	113	99.1 Å²	99.1	53%	0.528	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-35.4	-175.8	-73.4	-174.7	-172.8	0	0	113.8	N243 K244 Y245	E241-N243 PolarHBondContact O-N 3.17Å; E241-K244 PolarHBondContact O-N 2.77Å; E241-Y245 HydrophobicContact CB-CD2 4.41Å; E241-Y245 HydrophobicContact CB-CE2 4.19Å; E241-Y245 WeakPolarHBondContact O-CD2 3.32Å; E241-Y245 PolarHBondContact O-N 2.75Å
242	I	54.9	Low	65.5	Low	119 Å²	119	97.6 Å²	97.6	61%	0.61	49%	0.49	S	S	*	.	H	α-helix	trans	-63.7	-40.6	-174.5	-58.7	173.3	0	0	0	111.8	K244 F246	I242-K244 VanDerWaalsContact C-N 3.3Å; I242-K244 PolarHBondContact O-N 2.74Å; I242-F246 WeakPolarHBondContact O-CB 3.3Å; I242-F246 PolarHBondContact O-N 3.27Å; I242-F246 VanDerWaalsContact O-N 3.09Å
243	N	54.7	Low	65.5	Low	118 Å²	118	99.6 Å²	99.6	63%	0.631	50%	0.502	S	S	*	.	H	α-helix	trans	-67	-28.9	176.7	-86.9	3	0	0	0	113.2	E241 I247	E241-N243 PolarHBondContact O-N 3.17Å; N243-I247 WeakPolarHBondContact O-CD1 3.37Å; N243-I247 VanDerWaalsContact O-CG1 3.28Å; N243-I247 WeakPolarHBondContact O-CG1 3.31Å; N243-I247 PolarHBondContact O-N 3.14Å
244	K	59.4	Low	65.3	Low	150 Å²	150	102.1 Å²	102.1	65%	0.652	51%	0.512	S	S	*	.	H	α-helix	trans	-75.3	-41.5	-178.8	-158	178	-177.9	-174.5	0	111.2	E241 I242 I248	E241-K244 PolarHBondContact O-N 2.77Å; I242-K244 VanDerWaalsContact C-N 3.3Å; I242-K244 PolarHBondContact O-N 2.74Å; K244-I248 HydrophobicContact CG-CD1 4.47Å; K244-I248 WeakPolarHBondContact O-CD1 3.38Å; K244-I248 VanDerWaalsContact O-CG1 3.29Å; K244-I248 WeakPolarHBondContact O-CG1 3.5Å; K244-I248 PolarHBondContact O-N 2.84Å
245	Y	63.1	Low	65.1	Low	155 Å²	155	105 Å²	105	61%	0.608	54%	0.536	S	S	*	.	H	α-helix	trans	-67.3	-37.6	174.4	-71.8	-71.9	0	0	0	112.3	E241 I247 I248 L249	E241-Y245 HydrophobicContact CB-CD2 4.41Å; E241-Y245 HydrophobicContact CB-CE2 4.19Å; E241-Y245 WeakPolarHBondContact O-CD2 3.32Å; E241-Y245 PolarHBondContact O-N 2.75Å; Y245-I247 PolarHBondContact O-N 2.78Å; Y245-I248 PolarHBondContact O-N 2.83Å; Y245-L249 WeakPolarHBondContact O-CB 3.45Å; Y245-L249 PolarHBondContact O-N 3.38Å
246	F	64.9	Low	65	Low	108 Å²	108	107.4 Å²	107.4	47%	0.474	56%	0.556	S	S	.	*	H	α-helix	trans	-63	-42.8	177.8	-165.5	-98.9	0	0	0	112.3	F60 I242 L249 L250	F60-F246 HydrophobicContact CE2-CZ 4.06Å; I242-F246 WeakPolarHBondContact O-CB 3.3Å; I242-F246 PolarHBondContact O-N 3.27Å; I242-F246 VanDerWaalsContact O-N 3.09Å; F246-L249 PolarHBondContact O-N 3.06Å; F246-L250 HydrophobicContact CD1-CD1 3.96Å; F246-L250 HydrophobicContact CE1-CD1 3.51Å; F246-L250 HydrophobicContact CZ-CD1 4.24Å; F246-L250 WeakPolarHBondContact O-CB 3.49Å; F246-L250 PolarHBondContact O-N 3.01Å
247	I	72.6	Confident	64.9	Low	107 Å²	107	109.5 Å²	109.5	55%	0.549	57%	0.571	S	S	.	*	H	α-helix	trans	-65.3	-43.8	176.7	-67.2	168.2	0	0	0	111.2	N243 Y245 L249 L250 V251	N243-I247 WeakPolarHBondContact O-CD1 3.37Å; N243-I247 VanDerWaalsContact O-CG1 3.28Å; N243-I247 WeakPolarHBondContact O-CG1 3.31Å; N243-I247 PolarHBondContact O-N 3.14Å; Y245-I247 PolarHBondContact O-N 2.78Å; I247-L249 VanDerWaalsContact C-N 3.3Å; I247-L249 PolarHBondContact O-N 2.83Å; I247-L250 PolarHBondContact O-N 2.99Å; I247-V251 HydrophobicContact CG2-CG2 4.35Å; I247-V251 VanDerWaalsContact O-CG2 3.3Å; I247-V251 WeakPolarHBondContact O-CG2 3.45Å; I247-V251 PolarHBondContact O-N 3.05Å
248	I	76.5	Confident	65	Low	101 Å²	101	116.1 Å²	116.1	52%	0.518	60%	0.596	S	S	.	*	H	α-helix	trans	-60.8	-43	177.8	-67.9	165.4	0	0	0	110.7	K244 Y245 V251 S252	K244-I248 HydrophobicContact CG-CD1 4.47Å; K244-I248 WeakPolarHBondContact O-CD1 3.38Å; K244-I248 VanDerWaalsContact O-CG1 3.29Å; K244-I248 WeakPolarHBondContact O-CG1 3.5Å; K244-I248 PolarHBondContact O-N 2.84Å; Y245-I248 PolarHBondContact O-N 2.83Å; I248-V251 PolarHBondContact O-N 3.07Å; I248-S252 WeakPolarHBondContact O-CB 3.5Å; I248-S252 PolarHBondContact O-N 3.31Å; I248-S252 PolarHBondContact O-OG 2.79Å
249	L	76	Confident	65.7	Low	104 Å²	104	113.2 Å²	113.2	55%	0.545	59%	0.588	S	S	.	*	H	α-helix	trans	-66.2	-41.5	-179.7	-156.9	144.9	0	0	0	111.2	Y245 F246 I247 S252 I253	Y245-L249 WeakPolarHBondContact O-CB 3.45Å; Y245-L249 PolarHBondContact O-N 3.38Å; F246-L249 PolarHBondContact O-N 3.06Å; I247-L249 VanDerWaalsContact C-N 3.3Å; I247-L249 PolarHBondContact O-N 2.83Å; L249-S252 WeakPolarHBondContact CA-OG 3.37Å; L249-S252 PolarHBondContact O-N 2.81Å; L249-S252 PolarHBondContact O-OG 2.85Å; L249-I253 HydrophobicContact CD2-CD1 3.64Å; L249-I253 HydrophobicContact CD2-CG1 4.45Å; L249-I253 WeakPolarHBondContact O-CG1 3.49Å; L249-I253 PolarHBondContact O-N 3.21Å; L249-I253 VanDerWaalsContact O-N 3.1Å
250	L	76.5	Confident	66.8	Low	82 Å²	82	113.6 Å²	113.6	43%	0.429	58%	0.584	S	S	.	*	H	α-helix	trans	-60.9	-46.4	173.5	-118.7	154.9	0	0	0	112.6	F246 I247 S252 I253 I254	F246-L250 HydrophobicContact CD1-CD1 3.96Å; F246-L250 HydrophobicContact CE1-CD1 3.51Å; F246-L250 HydrophobicContact CZ-CD1 4.24Å; F246-L250 WeakPolarHBondContact O-CB 3.49Å; F246-L250 PolarHBondContact O-N 3.01Å; I247-L250 PolarHBondContact O-N 2.99Å; L250-S252 VanDerWaalsContact C-N 3.33Å; L250-S252 PolarHBondContact O-N 2.84Å; L250-I253 PolarHBondContact O-N 3.26Å; L250-I254 HydrophobicContact CD2-CD1 4.03Å; L250-I254 WeakPolarHBondContact O-CG1 3.38Å; L250-I254 PolarHBondContact O-N 3.43Å; L250-I254 VanDerWaalsContact O-N 3.12Å
251	V	80.1	Confident	67.9	Low	89 Å²	89	109.4 Å²	109.4	54%	0.539	57%	0.571	S	S	.	*	H	α-helix	trans	-63.4	-40.4	177.8	172.1	0	0	0	0	111	I247 I248 I253 I254 A255	I247-V251 HydrophobicContact CG2-CG2 4.35Å; I247-V251 VanDerWaalsContact O-CG2 3.3Å; I247-V251 WeakPolarHBondContact O-CG2 3.45Å; I247-V251 PolarHBondContact O-N 3.05Å; I248-V251 PolarHBondContact O-N 3.07Å; V251-I253 PolarHBondContact O-N 2.91Å; V251-I254 PolarHBondContact O-N 3.45Å; V251-A255 WeakPolarHBondContact O-CB 3.47Å; V251-A255 PolarHBondContact O-N 3.24Å
252	S	77.8	Confident	69.1	Low	59 Å²	59	109.2 Å²	109.2	41%	0.413	57%	0.574	S	S	.	*	H	α-helix	trans	-63.8	-39.2	177.9	62.3	0	0	0	0	112.9	I248 L249 L250 A255 T256	I248-S252 WeakPolarHBondContact O-CB 3.5Å; I248-S252 PolarHBondContact O-N 3.31Å; I248-S252 PolarHBondContact O-OG 2.79Å; L249-S252 WeakPolarHBondContact CA-OG 3.37Å; L249-S252 PolarHBondContact O-N 2.81Å; L249-S252 PolarHBondContact O-OG 2.85Å; L250-S252 VanDerWaalsContact C-N 3.33Å; L250-S252 PolarHBondContact O-N 2.84Å; S252-A255 PolarHBondContact O-N 3.34Å; S252-T256 WeakPolarHBondContact O-CG2 3.35Å; S252-T256 PolarHBondContact O-N 2.67Å; S252-T256 VanDerWaalsContact O-N 3.12Å; S252-T256 PolarHBondContact O-OG1 3.45Å; S252-T256 VanDerWaalsContact O-OG1 3.1Å
253	I	76.7	Confident	70	Confident	78 Å²	78	108.6 Å²	108.6	40%	0.4	57%	0.571	S	S	.	*	H	α-helix	trans	-65.8	-44.1	177	-67.2	167.6	0	0	0	110.7	L249 L250 V251 T256 S257	L249-I253 HydrophobicContact CD2-CD1 3.64Å; L249-I253 HydrophobicContact CD2-CG1 4.45Å; L249-I253 WeakPolarHBondContact O-CG1 3.49Å; L249-I253 PolarHBondContact O-N 3.21Å; L249-I253 VanDerWaalsContact O-N 3.1Å; L250-I253 PolarHBondContact O-N 3.26Å; V251-I253 PolarHBondContact O-N 2.91Å; I253-T256 PolarHBondContact O-N 3.34Å; I253-T256 PolarHBondContact O-OG1 3.18Å; I253-S257 PolarHBondContact O-N 3.13Å
254	I	76.9	Confident	71	Confident	95 Å²	95	107.9 Å²	107.9	49%	0.487	57%	0.567	S	S	.	*	H	α-helix	trans	-63.9	-43	178.9	-64.4	165.5	0	0	0	110.7	L250 V251 T256 S257	L250-I254 HydrophobicContact CD2-CD1 4.03Å; L250-I254 WeakPolarHBondContact O-CG1 3.38Å; L250-I254 PolarHBondContact O-N 3.43Å; L250-I254 VanDerWaalsContact O-N 3.12Å; V251-I254 PolarHBondContact O-N 3.45Å; I254-T256 VanDerWaalsContact C-N 3.31Å; I254-T256 PolarHBondContact O-N 3.48Å; I254-S257 PolarHBondContact O-N 3.08Å; I254-S257 VanDerWaalsContact O-N 3.13Å
255	A	75.9	Confident	71.9	Confident	65 Å²	65	104.9 Å²	104.9	54%	0.537	56%	0.561	S	S	.	*	H	α-helix	trans	-65.9	-31.1	179.5	0	0	0	0	0	113.2	V251 S252 S257	V251-A255 WeakPolarHBondContact O-CB 3.47Å; V251-A255 PolarHBondContact O-N 3.24Å; S252-A255 PolarHBondContact O-N 3.34Å; A255-S257 VanDerWaalsContact C-N 3.3Å
256	T	71.9	Confident	72.6	Confident	118 Å²	118	101.1 Å²	101.1	72%	0.724	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	-8.7	174.9	52.4	0	0	0	0	114.1	S252 I253 I254	S252-T256 WeakPolarHBondContact O-CG2 3.35Å; S252-T256 PolarHBondContact O-N 2.67Å; S252-T256 VanDerWaalsContact O-N 3.12Å; S252-T256 PolarHBondContact O-OG1 3.45Å; S252-T256 VanDerWaalsContact O-OG1 3.1Å; I253-T256 PolarHBondContact O-N 3.34Å; I253-T256 PolarHBondContact O-OG1 3.18Å; I254-T256 VanDerWaalsContact C-N 3.31Å; I254-T256 PolarHBondContact O-N 3.48Å
257	S	60.1	Low	73.2	Confident	85 Å²	85	100.5 Å²	100.5	59%	0.594	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.9	-4.3	-178.6	-175.3	0	0	0	0	113.7	I253 I254 A255	I253-S257 PolarHBondContact O-N 3.13Å; I254-S257 PolarHBondContact O-N 3.08Å; I254-S257 VanDerWaalsContact O-N 3.13Å; A255-S257 VanDerWaalsContact C-N 3.3Å
258	Q	57.3	Low	73.2	Confident	223 Å²	223	99.9 Å²	99.9	100%	1.042	57%	0.566	S	S	*	*			trans	-98.4	0	169.7	-69.3	-171.9	-16.4	0	0	109.8

Retrieved 258 of 258 residues in 40.9 ms (Link to these results)

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