G4VD11_SCHMA Loading...

glutaminyl-peptide cyclotransferase

AlphaFold DB , UniProt , Accession G4VD11, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 337 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	33.1	Very low	33	Very low	233 Å²	233	152.4 Å²	152.4	100%	1.148	82%	0.815	S	S	*	*				0	78.1	0	-74	179.7	68.5	0	0	106.9
2	V	31.2	Very low	33.2	Very low	135 Å²	135	149.8 Å²	149.8	82%	0.818	80%	0.8	S	S	*	*				52.4	92.8	94.5	-170.5	0	0	0	0	112.1
3	Y	33.2	Very low	33.4	Very low	218 Å²	218	151.8 Å²	151.8	86%	0.855	80%	0.798	S	S	*	*			trans	-159.6	95.6	142.5	-91.1	-72.8	0	0	0	107.2
4	L	28.7	Very low	33.6	Very low	180 Å²	180	149.7 Å²	149.7	94%	0.942	79%	0.787	S	S	*	*			trans	-141.4	94	164.8	-125.4	117.7	0	0	0	105.4
5	E	34.3	Very low	33.7	Very low	159 Å²	159	145.1 Å²	145.1	74%	0.743	77%	0.767	S	S	*	*			trans	-122	123.4	179.3	-99.1	-175.3	172.4	0	0	109.8
6	I	31	Very low	33.8	Very low	143 Å²	143	146.8 Å²	146.8	73%	0.733	76%	0.761	S	S	*	*			trans	77.6	75	145.8	-47.8	160.5	0	0	0	116.1
7	I	33.8	Very low	34	Very low	178 Å²	178	140.9 Å²	140.9	91%	0.913	74%	0.736	S	S	*	*			trans	-134.6	71.7	145.3	-51.8	178.7	0	0	0	107.9
8	A	31.2	Very low	34.2	Very low	84 Å²	84	138.1 Å²	138.1	69%	0.694	73%	0.725	S	S	*	*			trans	-161.4	82	173.6	0	0	0	0	0	110.4
9	N	36.9	Very low	34.2	Very low	143 Å²	143	133.4 Å²	133.4	77%	0.765	71%	0.708	S	S	*	*	S	Bend	trans	-160	-8.2	160.1	-91.8	-31.5	0	0	0	114.2
10	G	35.8	Very low	34.5	Very low	57 Å²	57	129 Å²	129	59%	0.588	69%	0.688	S	S	*	*	S	Bend	trans	-87.7	-16	176	0	0	0	0	0	116.1
11	L	34.1	Very low	34.7	Very low	146 Å²	146	124.3 Å²	124.3	76%	0.764	66%	0.662	S	S	*	*	S	Bend	trans	-92	-20.7	-175.4	-108.2	90	0	0	0	114.5
12	L	35	Very low	34.9	Very low	121 Å²	121	118.9 Å²	118.9	63%	0.634	64%	0.642	S	S	*	*	H	α-helix	trans	-77.2	-26	-176.8	-111.3	101.8	0	0	0	113.6	T15	L12-T15 PolarHBondContact O-OG1 3.18Å
13	F	35.7	Very low	35	Very low	177 Å²	177	115.4 Å²	115.4	78%	0.776	62%	0.623	S	S	*	*	H	α-helix	trans	-77.5	-26.9	174.5	-93.3	-88.5	0	0	0	112.8	S17	F13-S17 PolarHBondContact O-N 3Å
14	L	36.3	Very low	35	Very low	122 Å²	122	108 Å²	108	64%	0.639	60%	0.604	S	S	*	*	H	α-helix	trans	-74.5	-28.2	176.2	-101	109.8	0	0	0	113.2	V18	L14-V18 WeakPolarHBondContact O-CG2 3.32Å; L14-V18 PolarHBondContact O-N 2.67Å
15	T	34.9	Very low	35.3	Very low	80 Å²	80	105 Å²	105	49%	0.491	58%	0.583	S	S	.	*	H	α-helix	trans	-81	-30.9	179.8	52.9	0	0	0	0	112.7	L12 A19	L12-T15 PolarHBondContact O-OG1 3.18Å; T15-A19 WeakPolarHBondContact O-CB 3.16Å; T15-A19 PolarHBondContact O-N 3.37Å; T15-A19 VanDerWaalsContact O-N 3.09Å
16	Y	35.2	Very low	35.1	Very low	172 Å²	172	102.1 Å²	102.1	68%	0.675	58%	0.577	S	S	*	*	H	α-helix	trans	-75.6	-35.8	176	-95.3	-89.1	0	0	0	113.4	C20	Y16-C20 PolarHBondContact O-N 3.43Å; Y16-C20 PolarHBondContact O-SG 3.4Å; Y16-C20 VanDerWaalsContact O-SG 3.37Å
17	S	38.3	Very low	35.2	Very low	47 Å²	47	104.8 Å²	104.8	33%	0.329	58%	0.583	S	S	.	*	H	α-helix	trans	-71.1	-32.3	177.4	176.8	0	0	0	0	112.5	F13 F21	F13-S17 PolarHBondContact O-N 3Å; S17-F21 WeakPolarHBondContact O-CD2 3.15Å
18	V	36.4	Very low	35.2	Very low	90 Å²	90	99.1 Å²	99.1	55%	0.545	57%	0.569	S	S	.	*	H	α-helix	trans	-85.5	-33.7	178.1	179	0	0	0	0	112.3	L14 C20 F21	L14-V18 WeakPolarHBondContact O-CG2 3.32Å; L14-V18 PolarHBondContact O-N 2.67Å; V18-C20 VanDerWaalsContact C-N 3.3Å; V18-C20 PolarHBondContact O-N 3.46Å; V18-F21 PolarHBondContact O-N 3.09Å; V18-F21 VanDerWaalsContact O-N 3.11Å
19	A	35.5	Very low	35.4	Very low	49 Å²	49	103.3 Å²	103.3	41%	0.405	58%	0.579	S	S	.	*	H	α-helix	trans	-67.3	-26.7	179.3	0	0	0	0	0	113.9	T15 F21 S23	T15-A19 WeakPolarHBondContact O-CB 3.16Å; T15-A19 PolarHBondContact O-N 3.37Å; T15-A19 VanDerWaalsContact O-N 3.09Å; A19-F21 VanDerWaalsContact C-N 3.27Å; A19-F21 PolarHBondContact O-N 3.49Å; A19-S23 PolarHBondContact O-OG 3.35Å
20	C	38.8	Very low	35.3	Very low	45 Å²	45	102 Å²	102	30%	0.304	57%	0.571	S	S	.	*	H	α-helix	trans	-72.8	-17.5	173.8	-69.8	0	0	0	0	113.4	Y16 V18 F25	Y16-C20 PolarHBondContact O-N 3.43Å; Y16-C20 PolarHBondContact O-SG 3.4Å; Y16-C20 VanDerWaalsContact O-SG 3.37Å; V18-C20 VanDerWaalsContact C-N 3.3Å; V18-C20 PolarHBondContact O-N 3.46Å; C20-F25 HydrophobicContact CB-CE2 4.35Å; C20-F25 VanDerWaalsContact SG-CE2 3.6Å
21	F	39	Very low	35.4	Very low	32 Å²	32	104.4 Å²	104.4	14%	0.14	57%	0.569	C	S	.	*	H	α-helix	trans	-96.8	-10.2	-175.6	-84.1	-98.6	0	0	0	114	S17 V18 A19 M244 E247 L248 R251	S17-F21 WeakPolarHBondContact O-CD2 3.15Å; V18-F21 PolarHBondContact O-N 3.09Å; V18-F21 VanDerWaalsContact O-N 3.11Å; A19-F21 VanDerWaalsContact C-N 3.27Å; A19-F21 PolarHBondContact O-N 3.49Å; F21-M244 HydrophobicContact CE2-CG 4.39Å; F21-M244 HydrophobicContact CZ-CG 3.93Å; F21-E247 HydrophobicContact CD1-CG 3.44Å; F21-E247 VanDerWaalsContact CD1-CG 3.44Å; F21-E247 HydrophobicContact CE1-CB 4.28Å; F21-E247 HydrophobicContact CE1-CG 3.46Å; F21-E247 VanDerWaalsContact CE1-CG 3.46Å; F21-E247 HydrophobicContact CG-CG 4.44Å; F21-E247 HydrophobicContact CZ-CG 4.43Å; F21-L248 HydrophobicContact CE1-CD2 4.23Å; F21-L248 HydrophobicContact CZ-CD2 4.4Å; F21-R251 VanDerWaalsContact CD1-CZ 3.49Å; F21-R251 PolarHBondContact O-NH2 2.92Å
22	T	37.5	Very low	35.7	Very low	119 Å²	119	101.6 Å²	101.6	73%	0.73	55%	0.552	S	S	*	*	H	α-helix	trans	-127.5	0.5	-177.6	60.2	0	0	0	0	115.2
23	S	33.5	Very low	35.9	Very low	61 Å²	61	100 Å²	100	43%	0.427	55%	0.549	S	S	.	.	S	Bend	trans	-130.7	131.4	176.2	73.4	0	0	0	0	111	A19 F25	A19-S23 PolarHBondContact O-OG 3.35Å; S23-F25 PolarHBondContact O-N 3.04Å
24	S	33.1	Very low	36.4	Very low	63 Å²	63	96.6 Å²	96.6	44%	0.441	54%	0.536	S	S	.	.			trans	-50.6	124.1	158.1	-49.2	0	0	0	0	106.7	T26	S24-T26 PolarHBondContact O-N 2.79Å
25	F	35.9	Very low	36.9	Very low	116 Å²	116	93 Å²	93	51%	0.509	52%	0.517	S	S	.	.			trans	-51.5	103.9	177.3	-110.1	-91.1	0	0	0	109.2	C20 S23	C20-F25 HydrophobicContact CB-CE2 4.35Å; C20-F25 VanDerWaalsContact SG-CE2 3.6Å; S23-F25 PolarHBondContact O-N 3.04Å
26	T	29.4	Very low	37.9	Very low	99 Å²	99	91.2 Å²	91.2	61%	0.607	51%	0.508	S	S	*	.			trans	-94.5	96.7	176.6	43.2	0	0	0	0	108.1	S24	S24-T26 PolarHBondContact O-N 2.79Å
27	K	32.8	Very low	39	Very low	200 Å²	200	84 Å²	84	87%	0.87	48%	0.482	S	S	*	.	S	Bend	trans	-113.1	90.4	160.6	-147.3	177.5	-173.8	-179.8	0	107.2
28	G	34.9	Very low	40.2	Very low	59 Å²	59	85.3 Å²	85.3	61%	0.608	49%	0.485	S	S	*	.	S	Bend	trans	73.4	82.7	-178.6	0	0	0	0	0	114	I30	G28-I30 PolarHBondContact O-N 3.11Å
29	N	34.4	Very low	41.5	Very low	171 Å²	171	84.3 Å²	84.3	91%	0.914	47%	0.472	S	S	*	.	S	Bend	trans	42.8	12.3	164.4	-75.9	-6	0	0	0	120.3
30	I	35.9	Very low	43	Very low	117 Å²	117	83 Å²	83	60%	0.6	46%	0.458	S	S	*	.			trans	-116.8	104.3	176.9	-58.4	172.4	0	0	0	107.3	G28 Q32	G28-I30 PolarHBondContact O-N 3.11Å; I30-Q32 HydrophobicContact CG2-CG 4.31Å; I30-Q32 PolarHBondContact O-N 2.95Å
31	I	37.7	Very low	44.3	Very low	107 Å²	107	80.9 Å²	80.9	55%	0.549	44%	0.444	S	S	.	.			trans	-63.7	116.2	164.4	-64.9	170.9	0	0	0	105.8	P33	I31-P33 WeakPolarHBondContact O-CD 3.39Å
32	Q	40.2	Very low	45.5	Very low	87 Å²	87	83.3 Å²	83.3	41%	0.407	46%	0.461	S	S	.	.			trans	-91.8	93.8	169.1	-69.6	-160.4	-19.1	0	0	108.5	I30 E34 L35	I30-Q32 HydrophobicContact CG2-CG 4.31Å; I30-Q32 PolarHBondContact O-N 2.95Å; Q32-E34 PolarHBondContact O-N 3.16Å; Q32-E34 VanDerWaalsContact O-N 3.08Å; Q32-L35 HydrophobicContact CB-CD1 3.95Å; Q32-L35 HydrophobicContact CB-CG 3.99Å; Q32-L35 PolarHBondContact O-N 3.08Å; Q32-L35 VanDerWaalsContact O-N 3.14Å
33	P	39.4	Very low	46.9	Very low	88 Å²	88	83 Å²	83	57%	0.571	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-60.5	-19.8	-177.2	24	-34.2	0	0	0	113.2	I31 L35 S36 Y39	I31-P33 WeakPolarHBondContact O-CD 3.39Å; P33-L35 PolarHBondContact O-N 3.4Å; P33-S36 PolarHBondContact O-N 3.11Å; P33-S36 PolarHBondContact O-OG 2.82Å; P33-Y39 WeakPolarHBondContact O-CB 3.29Å
34	E	44.4	Very low	48.5	Very low	104 Å²	104	80.4 Å²	80.4	49%	0.486	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-65.8	-13.3	177.9	-61.1	174.6	177	0	0	113.6	Q32 Y39	Q32-E34 PolarHBondContact O-N 3.16Å; Q32-E34 VanDerWaalsContact O-N 3.08Å; E34-Y39 HydrophobicContact CB-CD1 4.39Å; E34-Y39 HydrophobicContact CB-CE1 4.37Å; E34-Y39 WeakPolarHBondContact O-CD1 3.48Å
35	L	47.3	Very low	49.9	Very low	47 Å²	47	86.4 Å²	86.4	25%	0.246	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	-101.4	-4.9	-176.7	-56	-173.6	0	0	0	114.4	Q32 P33 L336	Q32-L35 HydrophobicContact CB-CD1 3.95Å; Q32-L35 HydrophobicContact CB-CG 3.99Å; Q32-L35 PolarHBondContact O-N 3.08Å; Q32-L35 VanDerWaalsContact O-N 3.14Å; P33-L35 PolarHBondContact O-N 3.4Å; L35-L336 HydrophobicContact CD1-CD1 4.19Å; L35-L336 HydrophobicContact CD1-CD2 3.93Å; L35-L336 HydrophobicContact CD2-CB 3.56Å; L35-L336 HydrophobicContact CD2-CD1 3.85Å; L35-L336 HydrophobicContact CD2-CD2 3.2Å; L35-L336 HydrophobicContact CD2-CG 3.64Å; L35-L336 HydrophobicContact CG-CD2 4.13Å
36	S	57	Low	51	Low	43 Å²	43	85.9 Å²	85.9	30%	0.301	45%	0.452	S	S	.	.	S	Bend	trans	-70.6	138.8	175.7	71.6	0	0	0	0	109	P33 D38 Y39 L40	P33-S36 PolarHBondContact O-N 3.11Å; P33-S36 PolarHBondContact O-OG 2.82Å; S36-D38 PolarHBondContact O-N 3.4Å; S36-D38 VanDerWaalsContact O-N 3.08Å; S36-Y39 WeakPolarHBondContact O-CB 3.49Å; S36-Y39 PolarHBondContact O-N 3.02Å; S36-Y39 PolarHBondContact OG-N 3.15Å; S36-L40 PolarHBondContact O-N 3.13Å
37	P	57.3	Low	52.8	Low	20 Å²	20	85.8 Å²	85.8	13%	0.13	44%	0.44	C	S	.	.	H	α-helix	trans	-48.7	-34.5	167.5	-33.4	41.1	0	0	0	111.8	Y39 L40 F41	P37-Y39 PolarHBondContact O-N 2.66Å; P37-L40 WeakPolarHBondContact O-CB 3.45Å; P37-L40 PolarHBondContact O-N 2.67Å; P37-L40 VanDerWaalsContact O-N 3.16Å; P37-F41 HydrophobicContact CB-CD2 4.24Å; P37-F41 HydrophobicContact CB-CE2 3.52Å; P37-F41 HydrophobicContact CB-CZ 4.01Å; P37-F41 WeakPolarHBondContact O-CB 3.34Å; P37-F41 WeakPolarHBondContact O-CD2 3Å; P37-F41 WeakPolarHBondContact O-CE2 3Å; P37-F41 WeakPolarHBondContact O-CG 3.2Å; P37-F41 PolarHBondContact O-N 3.26Å
38	D	63.7	Low	55	Low	75 Å²	75	81 Å²	81	40%	0.401	43%	0.432	S	S	.	.	H	α-helix	trans	-58.4	-42.5	175.2	-55.6	-11.4	0	0	0	113.3	S36 F41 T42 F255	S36-D38 PolarHBondContact O-N 3.4Å; S36-D38 VanDerWaalsContact O-N 3.08Å; D38-F41 WeakPolarHBondContact O-CB 3.25Å; D38-F41 PolarHBondContact O-N 2.93Å; D38-T42 WeakPolarHBondContact O-CG2 3.47Å; D38-T42 PolarHBondContact O-N 2.75Å; D38-T42 VanDerWaalsContact O-N 3.15Å; D38-F255 HydrophobicContact CB-CE2 4.46Å; D38-F255 HydrophobicContact CB-CZ 3.87Å; D38-F255 VanDerWaalsContact CG-CZ 3.49Å; D38-F255 VanDerWaalsContact OD1-CE2 3.23Å; D38-F255 WeakPolarHBondContact OD1-CE2 3.48Å; D38-F255 VanDerWaalsContact OD1-CZ 3.27Å; D38-F255 WeakPolarHBondContact OD1-CZ 3.5Å
39	Y	63.8	Low	57.7	Low	68 Å²	68	78.3 Å²	78.3	27%	0.267	40%	0.404	S	S	.	.	H	α-helix	trans	-64.6	-44.4	174.6	-177.2	-99	0	0	0	111.3	P33 E34 S36 P37 F41 T42 R43	P33-Y39 WeakPolarHBondContact O-CB 3.29Å; E34-Y39 HydrophobicContact CB-CD1 4.39Å; E34-Y39 HydrophobicContact CB-CE1 4.37Å; E34-Y39 WeakPolarHBondContact O-CD1 3.48Å; S36-Y39 WeakPolarHBondContact O-CB 3.49Å; S36-Y39 PolarHBondContact O-N 3.02Å; S36-Y39 PolarHBondContact OG-N 3.15Å; P37-Y39 PolarHBondContact O-N 2.66Å; Y39-F41 VanDerWaalsContact C-N 3.29Å; Y39-F41 PolarHBondContact O-N 3.1Å; Y39-T42 PolarHBondContact O-N 3.38Å; Y39-T42 VanDerWaalsContact O-N 3.14Å; Y39-T42 PolarHBondContact O-OG1 2.96Å; Y39-R43 HydrophobicContact CE1-CG 4.37Å; Y39-R43 PolarHBondContact O-N 3.3Å; Y39-R43 PolarHBondContact OH-NE 3.18Å; Y39-R43 PolarHBondContact OH-NH2 3.22Å
40	L	66.3	Low	60.5	Low	21 Å²	21	73.3 Å²	73.3	11%	0.11	37%	0.374	C	S	.	.	H	α-helix	trans	-60.9	-40.5	176.9	179.8	50.2	0	0	0	111.5	S36 P37 T42 R43 L44 L327 L337	S36-L40 PolarHBondContact O-N 3.13Å; P37-L40 WeakPolarHBondContact O-CB 3.45Å; P37-L40 PolarHBondContact O-N 2.67Å; P37-L40 VanDerWaalsContact O-N 3.16Å; L40-T42 VanDerWaalsContact C-N 3.32Å; L40-T42 PolarHBondContact O-N 2.88Å; L40-R43 PolarHBondContact O-N 2.8Å; L40-R43 VanDerWaalsContact O-N 3.17Å; L40-L44 HydrophobicContact CD1-CG 4.43Å; L40-L44 WeakPolarHBondContact O-CG 3.46Å; L40-L44 PolarHBondContact O-N 3.45Å; L40-L327 HydrophobicContact CD2-CD1 3.03Å; L40-L327 HydrophobicContact CG-CD1 3.76Å; L40-L337 HydrophobicContact CD1-CD1 3.48Å; L40-L337 VanDerWaalsContact CD1-CD1 3.48Å; L40-L337 HydrophobicContact CD1-CG 4.25Å
41	F	68	Low	63.2	Low	1 Å²	1	72.2 Å²	72.2	0%	0.004	37%	0.369	C	S	.	.	H	α-helix	trans	-58.4	-39.8	174.4	-70.3	-36.2	0	0	0	112.8	P37 D38 Y39 R43 L44 R45 R251 M252 F255 L257 L327	P37-F41 HydrophobicContact CB-CD2 4.24Å; P37-F41 HydrophobicContact CB-CE2 3.52Å; P37-F41 HydrophobicContact CB-CZ 4.01Å; P37-F41 WeakPolarHBondContact O-CB 3.34Å; P37-F41 WeakPolarHBondContact O-CD2 3Å; P37-F41 WeakPolarHBondContact O-CE2 3Å; P37-F41 WeakPolarHBondContact O-CG 3.2Å; P37-F41 PolarHBondContact O-N 3.26Å; D38-F41 WeakPolarHBondContact O-CB 3.25Å; D38-F41 PolarHBondContact O-N 2.93Å; Y39-F41 VanDerWaalsContact C-N 3.29Å; Y39-F41 PolarHBondContact O-N 3.1Å; F41-R43 PolarHBondContact O-N 3.26Å; F41-L44 HydrophobicContact CD1-CD1 4.3Å; F41-L44 PolarHBondContact O-N 3.32Å; F41-R45 PolarHBondContact O-N 2.85Å; F41-R251 HydrophobicContact CE2-CB 3.46Å; F41-R251 VanDerWaalsContact CE2-CB 3.46Å; F41-R251 HydrophobicContact CE2-CG 4.3Å; F41-R251 HydrophobicContact CZ-CB 3.49Å; F41-R251 VanDerWaalsContact CZ-CB 3.49Å; F41-M252 HydrophobicContact CD1-CG 3.77Å; F41-M252 HydrophobicContact CE1-CB 4.27Å; F41-M252 HydrophobicContact CE1-CG 3.16Å; F41-M252 HydrophobicContact CE1-SD 4.25Å; F41-M252 HydrophobicContact CZ-CG 3.98Å; F41-F255 HydrophobicContact CB-CB 4.38Å; F41-F255 HydrophobicContact CB-CD2 4.19Å; F41-F255 HydrophobicContact CB-CG 4.13Å; F41-F255 AromaticContact CD2-CD2 3.43Å; F41-F255 HydrophobicContact CD2-CD2 3.43Å; F41-F255 VanDerWaalsContact CD2-CD2 3.43Å; F41-F255 AromaticContact CD2-CE2 3.6Å; F41-F255 HydrophobicContact CD2-CE2 3.6Å; F41-F255 HydrophobicContact CD2-CG 4.22Å; F41-F255 HydrophobicContact CD2-CZ 4.47Å; F41-F255 HydrophobicContact CE2-CD2 4.13Å; F41-F255 HydrophobicContact CE2-CE2 4.21Å; F41-F255 AromaticContact CG-CD2 3.97Å; F41-F255 HydrophobicContact CG-CD2 3.97Å; F41-F255 HydrophobicContact CG-CE2 4.48Å; F41-F255 HydrophobicContact CG-CG 4.35Å; F41-L257 HydrophobicContact CB-CD1 3.4Å; F41-L257 VanDerWaalsContact CB-CD1 3.4Å; F41-L257 HydrophobicContact CD1-CD1 3.34Å; F41-L257 HydrophobicContact CE1-CD1 4.41Å; F41-L257 HydrophobicContact CG-CD1 3.64Å; F41-L257 WeakPolarHBondContact O-CD1 3.29Å; F41-L327 HydrophobicContact CD1-CD2 4.37Å; F41-L327 HydrophobicContact CE1-CD2 3.34Å; F41-L327 HydrophobicContact CZ-CD2 3.82Å
42	T	62.2	Low	65.9	Low	83 Å²	83	68.6 Å²	68.6	51%	0.509	35%	0.354	S	S	.	.	H	α-helix	trans	-64.9	-38.7	175.6	65.6	0	0	0	0	113.3	D38 Y39 L40 R45	D38-T42 WeakPolarHBondContact O-CG2 3.47Å; D38-T42 PolarHBondContact O-N 2.75Å; D38-T42 VanDerWaalsContact O-N 3.15Å; Y39-T42 PolarHBondContact O-N 3.38Å; Y39-T42 VanDerWaalsContact O-N 3.14Å; Y39-T42 PolarHBondContact O-OG1 2.96Å; L40-T42 VanDerWaalsContact C-N 3.32Å; L40-T42 PolarHBondContact O-N 2.88Å; T42-R45 WeakPolarHBondContact O-CB 3.1Å; T42-R45 PolarHBondContact O-N 2.63Å
43	R	68.5	Low	68.7	Low	112 Å²	112	64.4 Å²	64.4	42%	0.423	33%	0.334	S	S	.	.	H	α-helix	trans	-71.1	-32.2	177.3	-69.7	-149.5	-172	175.5	3.1	112.8	Y39 L40 F41 R45 S46 L337	Y39-R43 HydrophobicContact CE1-CG 4.37Å; Y39-R43 PolarHBondContact O-N 3.3Å; Y39-R43 PolarHBondContact OH-NE 3.18Å; Y39-R43 PolarHBondContact OH-NH2 3.22Å; L40-R43 PolarHBondContact O-N 2.8Å; L40-R43 VanDerWaalsContact O-N 3.17Å; F41-R43 PolarHBondContact O-N 3.26Å; R43-R45 VanDerWaalsContact C-N 3.27Å; R43-R45 PolarHBondContact O-N 3.39Å; R43-S46 PolarHBondContact O-OG 3.37Å; R43-L337 HydrophobicContact CG-CD1 4.48Å
44	L	67.2	Low	71.4	Confident	8 Å²	8	63.3 Å²	63.3	4%	0.042	32%	0.321	C	S	.	.	H	α-helix	trans	-64.8	-33.4	176.5	-72.3	177.5	0	0	0	112.1	L40 F41 S46 R47 M252 L257 L323	L40-L44 HydrophobicContact CD1-CG 4.43Å; L40-L44 WeakPolarHBondContact O-CG 3.46Å; L40-L44 PolarHBondContact O-N 3.45Å; F41-L44 HydrophobicContact CD1-CD1 4.3Å; F41-L44 PolarHBondContact O-N 3.32Å; L44-S46 PolarHBondContact O-N 3.49Å; L44-S46 VanDerWaalsContact O-N 3.16Å; L44-R47 PolarHBondContact O-N 3.45Å; L44-R47 VanDerWaalsContact O-N 3.09Å; L44-M252 HydrophobicContact CD1-CE 4.18Å; L44-L257 HydrophobicContact CB-CD1 4.4Å; L44-L323 HydrophobicContact CD2-CD2 3.93Å
45	R	61.5	Low	73.9	Confident	189 Å²	189	67.2 Å²	67.2	71%	0.713	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-29.8	-177.7	-158.8	175.2	-171.2	-176.5	2.7	114.2	F41 T42 R43 L257	F41-R45 PolarHBondContact O-N 2.85Å; T42-R45 WeakPolarHBondContact O-CB 3.1Å; T42-R45 PolarHBondContact O-N 2.63Å; R43-R45 VanDerWaalsContact C-N 3.27Å; R43-R45 PolarHBondContact O-N 3.39Å; R45-L257 HydrophobicContact CB-CD2 3.71Å; R45-L257 HydrophobicContact CG-CD2 3.9Å
46	S	59.4	Low	76.4	Confident	105 Å²	105	65.2 Å²	65.2	73%	0.734	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-2.3	-179.2	60.1	0	0	0	0	114	R43 L44 S48	R43-S46 PolarHBondContact O-OG 3.37Å; L44-S46 PolarHBondContact O-N 3.49Å; L44-S46 VanDerWaalsContact O-N 3.16Å; S46-S48 PolarHBondContact O-N 3.38Å
47	R	67	Low	78.4	Confident	96 Å²	96	63.2 Å²	63.2	36%	0.362	31%	0.307	S	S	.	.			trans	-88.3	101.3	-170	-149.3	-180	-172.4	174.6	2.8	111.2	L44 V49 M154 E326	L44-R47 PolarHBondContact O-N 3.45Å; L44-R47 VanDerWaalsContact O-N 3.09Å; R47-V49 HydrophobicContact CB-CG1 4.34Å; R47-V49 HydrophobicContact CG-CG1 3.76Å; R47-V49 PolarHBondContact O-N 3Å; R47-V49 VanDerWaalsContact O-N 3.13Å; R47-M154 VanDerWaalsContact NH2-CA 3.3Å; R47-M154 PolarHBondContact NH2-O 3.33Å; R47-E326 IonicContact NH1-OE1 2.99Å; R47-E326 PolarHBondContact NH1-OE1 2.68Å
48	S	80.2	Confident	80.3	Confident	99 Å²	99	66.4 Å²	66.4	69%	0.692	32%	0.323	S	S	*	.			trans	-76.8	96.6	169.1	-173.5	0	0	0	0	110.4	S46	S46-S48 PolarHBondContact O-N 3.38Å
49	V	91	Very high	82	Confident	4 Å²	4	66.6 Å²	66.6	2%	0.024	32%	0.322	C	S	.	.			trans	-99.9	-19.2	179.7	-63.2	0	0	0	0	113.8	R47 N51 S52 L53 M154 V319 L322 L323	R47-V49 HydrophobicContact CB-CG1 4.34Å; R47-V49 HydrophobicContact CG-CG1 3.76Å; R47-V49 PolarHBondContact O-N 3Å; R47-V49 VanDerWaalsContact O-N 3.13Å; V49-N51 PolarHBondContact O-N 3.34Å; V49-S52 PolarHBondContact O-N 3.18Å; V49-S52 VanDerWaalsContact O-N 3.17Å; V49-S52 PolarHBondContact O-OG 3.4Å; V49-L53 PolarHBondContact O-N 3.1Å; V49-M154 HydrophobicContact CG1-CE 4.41Å; V49-M154 HydrophobicContact CG1-SD 4.09Å; V49-V319 HydrophobicContact CG2-CG1 3.71Å; V49-V319 HydrophobicContact CG2-CG2 4.19Å; V49-L322 HydrophobicContact CB-CD2 4.23Å; V49-L322 HydrophobicContact CG2-CD2 3.89Å; V49-L323 HydrophobicContact CG2-CD2 4.29Å
50	K	92.7	Very high	83.7	Confident	66 Å²	66	63.4 Å²	63.4	29%	0.287	31%	0.309	S	S	.	.	H	α-helix	trans	-51.3	-56.6	-174.6	-179.9	178.4	171.4	172.8	0	112.5	S52 L53 E54 W315 V319	K50-S52 PolarHBondContact O-N 3.25Å; K50-L53 WeakPolarHBondContact O-CB 3.32Å; K50-L53 PolarHBondContact O-N 3.3Å; K50-E54 WeakPolarHBondContact O-CB 3.47Å; K50-E54 PolarHBondContact O-N 2.87Å; K50-W315 HydrophobicContact CD-CB 4.02Å; K50-W315 HydrophobicContact CD-CG 4.36Å; K50-W315 VanDerWaalsContact CE-CG 3.45Å; K50-W315 HydrophobicContact CG-CB 4.42Å; K50-W315 HydrophobicContact CG-CD2 4.49Å; K50-W315 HydrophobicContact CG-CE3 4.26Å; K50-V319 HydrophobicContact CB-CG2 4.06Å
51	N	93.6	Very high	85.2	Confident	93 Å²	93	63.4 Å²	63.4	50%	0.497	31%	0.309	S	S	.	.	H	α-helix	trans	-60.2	-35.6	-175.5	-64.4	-1.1	0	0	0	112.6	V49 R55	V49-N51 PolarHBondContact O-N 3.34Å; N51-R55 VanDerWaalsContact O-CG 3.31Å; N51-R55 WeakPolarHBondContact O-CG 3.25Å; N51-R55 PolarHBondContact O-N 3.08Å; N51-R55 VanDerWaalsContact O-N 3.16Å
52	S	94.2	Very high	86.7	Confident	31 Å²	31	65.6 Å²	65.6	22%	0.217	32%	0.32	C	S	.	.	H	α-helix	trans	-76	-34.6	177.1	57.9	0	0	0	0	112.9	V49 K50 I56 K150	V49-S52 PolarHBondContact O-N 3.18Å; V49-S52 VanDerWaalsContact O-N 3.17Å; V49-S52 PolarHBondContact O-OG 3.4Å; K50-S52 PolarHBondContact O-N 3.25Å; S52-I56 WeakPolarHBondContact O-CD1 3.39Å; S52-I56 WeakPolarHBondContact O-CG1 3.29Å; S52-I56 PolarHBondContact O-N 3.35Å; S52-K150 WeakPolarHBondContact OG-CE 3.4Å; S52-K150 PolarHBondContact OG-NZ 2.8Å
53	L	97.3	Very high	88.4	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-64.4	-44.8	172.4	179.6	64.8	0	0	0	110.2	V49 K50 R55 I56 F57 M143 I147 K150 W315 V319 L322	V49-L53 PolarHBondContact O-N 3.1Å; K50-L53 WeakPolarHBondContact O-CB 3.32Å; K50-L53 PolarHBondContact O-N 3.3Å; L53-R55 VanDerWaalsContact C-N 3.34Å; L53-R55 PolarHBondContact O-N 3.35Å; L53-I56 WeakPolarHBondContact O-CB 3.19Å; L53-I56 PolarHBondContact O-N 3.04Å; L53-I56 VanDerWaalsContact O-N 3.12Å; L53-F57 WeakPolarHBondContact O-CB 3.4Å; L53-F57 PolarHBondContact O-N 3.06Å; L53-M143 HydrophobicContact CD1-SD 4.42Å; L53-M143 HydrophobicContact CD2-SD 4.2Å; L53-M143 HydrophobicContact CG-SD 4.41Å; L53-I147 HydrophobicContact CD1-CG1 4.46Å; L53-K150 HydrophobicContact CB-CG 4.48Å; L53-K150 HydrophobicContact CD1-CB 3.89Å; L53-K150 HydrophobicContact CD1-CG 4.28Å; L53-W315 HydrophobicContact CD2-CZ3 4.35Å; L53-W315 HydrophobicContact CG-CZ3 4.25Å; L53-V319 HydrophobicContact CD2-CG2 4.33Å; L53-L322 HydrophobicContact CD1-CD2 4.45Å; L53-L322 HydrophobicContact CD2-CD2 4.14Å
54	E	97.4	Very high	89.8	Confident	65 Å²	65	59.4 Å²	59.4	30%	0.304	29%	0.292	S	S	.	.	H	α-helix	trans	-60.8	-39.5	178.3	-178	171.5	-171.4	0	0	112.9	K50 I56 F57 N58 W315	K50-E54 WeakPolarHBondContact O-CB 3.47Å; K50-E54 PolarHBondContact O-N 2.87Å; E54-I56 VanDerWaalsContact C-N 3.35Å; E54-I56 PolarHBondContact O-N 3.22Å; E54-F57 PolarHBondContact O-N 3.13Å; E54-N58 WeakPolarHBondContact O-CB 3.46Å; E54-N58 PolarHBondContact O-N 2.9Å; E54-N58 PolarHBondContact O-ND2 3.2Å; E54-W315 VanDerWaalsContact CA-CH2 3.44Å; E54-W315 HydrophobicContact CB-CE3 4.44Å; E54-W315 HydrophobicContact CB-CH2 3.51Å; E54-W315 HydrophobicContact CB-CZ2 4.01Å; E54-W315 HydrophobicContact CB-CZ3 3.73Å; E54-W315 HydrophobicContact CG-CH2 3.62Å; E54-W315 HydrophobicContact CG-CZ2 3.65Å; E54-W315 HydrophobicContact CG-CZ3 4.31Å
55	R	97.6	Very high	91.3	Very high	185 Å²	185	59.9 Å²	59.9	70%	0.698	29%	0.294	S	S	*	.	H	α-helix	trans	-62	-40.4	173.4	-74	174.2	-167.7	174.9	2.4	112.8	N51 L53	N51-R55 VanDerWaalsContact O-CG 3.31Å; N51-R55 WeakPolarHBondContact O-CG 3.25Å; N51-R55 PolarHBondContact O-N 3.08Å; N51-R55 VanDerWaalsContact O-N 3.16Å; L53-R55 VanDerWaalsContact C-N 3.34Å; L53-R55 PolarHBondContact O-N 3.35Å
56	I	98.5	Very high	93	Very high	6 Å²	6	51.4 Å²	51.4	3%	0.031	26%	0.264	C	S	.	.	H	α-helix	trans	-66.3	-48	176.6	-60.5	161.3	0	0	0	109.3	S52 L53 E54 N58 E59 I60 F77 Y81 L149 K150	S52-I56 WeakPolarHBondContact O-CD1 3.39Å; S52-I56 WeakPolarHBondContact O-CG1 3.29Å; S52-I56 PolarHBondContact O-N 3.35Å; L53-I56 WeakPolarHBondContact O-CB 3.19Å; L53-I56 PolarHBondContact O-N 3.04Å; L53-I56 VanDerWaalsContact O-N 3.12Å; E54-I56 VanDerWaalsContact C-N 3.35Å; E54-I56 PolarHBondContact O-N 3.22Å; I56-N58 VanDerWaalsContact C-N 3.31Å; I56-N58 PolarHBondContact O-N 3Å; I56-E59 PolarHBondContact O-N 3.09Å; I56-E59 VanDerWaalsContact O-N 3.1Å; I56-I60 HydrophobicContact CG2-CD1 4.08Å; I56-I60 PolarHBondContact O-N 3.1Å; I56-F77 HydrophobicContact CG2-CE1 4.07Å; I56-F77 HydrophobicContact CG2-CZ 4.24Å; I56-Y81 HydrophobicContact CD1-CE2 4.04Å; I56-Y81 WeakPolarHBondContact CD1-OH 3.26Å; I56-Y81 HydrophobicContact CG1-CE2 3.69Å; I56-L149 HydrophobicContact CD1-CB 4.48Å; I56-L149 HydrophobicContact CG2-CB 4.01Å; I56-L149 HydrophobicContact CG2-CD1 3.72Å; I56-K150 HydrophobicContact CD1-CB 3.83Å; I56-K150 HydrophobicContact CD1-CD 3.92Å; I56-K150 HydrophobicContact CD1-CG 4.43Å
57	F	98.7	Very high	94.8	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-55.3	-44.5	179.5	176.2	-99.9	0	0	0	112.4	L53 E54 E59 I60 N61 A142 M143 S146 A310 I313 W315	L53-F57 WeakPolarHBondContact O-CB 3.4Å; L53-F57 PolarHBondContact O-N 3.06Å; E54-F57 PolarHBondContact O-N 3.13Å; F57-E59 PolarHBondContact O-N 3.13Å; F57-I60 PolarHBondContact O-N 2.84Å; F57-I60 VanDerWaalsContact O-N 3.13Å; F57-N61 HydrophobicContact CD1-CB 4.11Å; F57-N61 HydrophobicContact CD2-CB 4.21Å; F57-N61 HydrophobicContact CE1-CB 3.77Å; F57-N61 WeakPolarHBondContact CE1-ND2 3.21Å; F57-N61 HydrophobicContact CE2-CB 3.87Å; F57-N61 HydrophobicContact CG-CB 4.33Å; F57-N61 HydrophobicContact CZ-CB 3.64Å; F57-N61 VanDerWaalsContact CZ-ND2 3.32Å; F57-N61 WeakPolarHBondContact CZ-ND2 3.38Å; F57-N61 WeakPolarHBondContact O-CB 3.46Å; F57-N61 PolarHBondContact O-N 2.99Å; F57-A142 HydrophobicContact CD2-CB 4.38Å; F57-A142 HydrophobicContact CE2-CB 4.04Å; F57-M143 HydrophobicContact CD2-CB 4.33Å; F57-M143 HydrophobicContact CD2-CE 3.67Å; F57-M143 HydrophobicContact CD2-SD 4.46Å; F57-M143 HydrophobicContact CE2-CB 4.26Å; F57-M143 HydrophobicContact CE2-CE 3.99Å; F57-M143 HydrophobicContact CG-CE 4.11Å; F57-S146 WeakPolarHBondContact CA-OG 3.49Å; F57-S146 PolarHBondContact N-OG 3.35Å; F57-A310 HydrophobicContact CE1-CB 3.98Å; F57-A310 HydrophobicContact CZ-CB 4.44Å; F57-I313 HydrophobicContact CE1-CG1 4.26Å; F57-I313 HydrophobicContact CE2-CD1 4.18Å; F57-I313 HydrophobicContact CE2-CG1 4.1Å; F57-I313 HydrophobicContact CZ-CD1 4.18Å; F57-I313 HydrophobicContact CZ-CG1 3.64Å; F57-W315 HydrophobicContact CB-CH2 4.08Å; F57-W315 AromaticContact CD1-CH2 3.83Å; F57-W315 HydrophobicContact CD1-CH2 3.83Å; F57-W315 HydrophobicContact CD1-CZ2 4.2Å; F57-W315 HydrophobicContact CG-CH2 4.05Å
58	N	98.4	Very high	96.3	Very high	88 Å²	88	47 Å²	47	47%	0.471	26%	0.256	S	S	.	.	H	α-helix	trans	-65.9	-23.4	-179.2	-69.6	-22.3	0	0	0	114.1	E54 I56	E54-N58 WeakPolarHBondContact O-CB 3.46Å; E54-N58 PolarHBondContact O-N 2.9Å; E54-N58 PolarHBondContact O-ND2 3.2Å; I56-N58 VanDerWaalsContact C-N 3.31Å; I56-N58 PolarHBondContact O-N 3Å
59	E	98.6	Very high	97.1	Very high	79 Å²	79	47.7 Å²	47.7	37%	0.369	26%	0.258	S	S	.	.	H	α-helix	trans	-79.3	-29.4	174.7	-66.3	-64	159.2	0	0	112.4	I56 F57 K73 F77	I56-E59 PolarHBondContact O-N 3.09Å; I56-E59 VanDerWaalsContact O-N 3.1Å; F57-E59 PolarHBondContact O-N 3.13Å; E59-K73 IonicContact OE2-NZ 2.63Å; E59-F77 HydrophobicContact CB-CD1 3.97Å; E59-F77 HydrophobicContact CB-CD2 3.78Å; E59-F77 HydrophobicContact CB-CE1 3.77Å; E59-F77 HydrophobicContact CB-CE2 3.58Å; E59-F77 HydrophobicContact CB-CG 3.97Å; E59-F77 HydrophobicContact CB-CZ 3.57Å; E59-F77 HydrophobicContact CG-CD2 4.01Å; E59-F77 HydrophobicContact CG-CE2 3.56Å; E59-F77 HydrophobicContact CG-CZ 3.87Å
60	I	98.7	Very high	97.5	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-91.9	-34.3	-177.7	-58.7	-178.7	0	0	0	112.1	I56 F57 I62 R64 V74 F77 A142 C145 L149	I56-I60 HydrophobicContact CG2-CD1 4.08Å; I56-I60 PolarHBondContact O-N 3.1Å; F57-I60 PolarHBondContact O-N 2.84Å; F57-I60 VanDerWaalsContact O-N 3.13Å; I60-I62 PolarHBondContact O-N 2.8Å; I60-R64 PolarHBondContact O-NH1 2.76Å; I60-V74 HydrophobicContact CG1-CG1 4.43Å; I60-V74 HydrophobicContact CG2-CG1 3.96Å; I60-F77 HydrophobicContact CD1-CD1 4.28Å; I60-F77 HydrophobicContact CD1-CE1 3.99Å; I60-F77 HydrophobicContact CG1-CD1 3.78Å; I60-F77 HydrophobicContact CG1-CE1 3.72Å; I60-A142 HydrophobicContact CG2-CB 3.92Å; I60-C145 HydrophobicContact CD1-CB 3.62Å; I60-C145 HydrophobicContact CG2-CB 4.14Å; I60-L149 HydrophobicContact CD1-CD1 3.84Å
61	N	98.7	Very high	97.8	Very high	22 Å²	22	45.3 Å²	45.3	12%	0.118	25%	0.252	C	S	.	.			trans	-77.3	60.3	-171.5	-168.6	49.1	0	0	0	113.1	F57 S138 A142	F57-N61 HydrophobicContact CD1-CB 4.11Å; F57-N61 HydrophobicContact CD2-CB 4.21Å; F57-N61 HydrophobicContact CE1-CB 3.77Å; F57-N61 WeakPolarHBondContact CE1-ND2 3.21Å; F57-N61 HydrophobicContact CE2-CB 3.87Å; F57-N61 HydrophobicContact CG-CB 4.33Å; F57-N61 HydrophobicContact CZ-CB 3.64Å; F57-N61 VanDerWaalsContact CZ-ND2 3.32Å; F57-N61 WeakPolarHBondContact CZ-ND2 3.38Å; F57-N61 WeakPolarHBondContact O-CB 3.46Å; F57-N61 PolarHBondContact O-N 2.99Å; N61-S138 PolarHBondContact ND2-OG 3.05Å; N61-S138 VanDerWaalsContact ND2-OG 3.1Å; N61-S138 WeakPolarHBondContact OD1-CA 3.37Å; N61-S138 WeakPolarHBondContact OD1-CB 2.78Å; N61-S138 PolarHBondContact OD1-OG 3.39Å; N61-A142 HydrophobicContact CB-CB 4.22Å
62	I	98.6	Very high	98	Very high	46 Å²	46	44.1 Å²	44.1	24%	0.236	25%	0.245	C	C	.	.	S	Bend	trans	-127.4	165.4	174.1	63.1	173.8	0	0	0	108.9	I60 R64 K73 V74	I60-I62 PolarHBondContact O-N 2.8Å; I62-R64 WeakPolarHBondContact O-CG 3.4Å; I62-R64 PolarHBondContact O-N 3.36Å; I62-R64 PolarHBondContact O-NH1 2.92Å; I62-K73 HydrophobicContact CD1-CB 4.44Å; I62-K73 HydrophobicContact CD1-CD 3.93Å; I62-K73 HydrophobicContact CD1-CG 4.48Å; I62-V74 HydrophobicContact CD1-CG2 3.93Å; I62-V74 HydrophobicContact CG1-CG2 3.81Å
63	I	98.6	Very high	98.2	Very high	66 Å²	66	47.4 Å²	47.4	34%	0.338	26%	0.255	S	S	.	.			trans	-63.6	123.3	171.2	-56.5	176.6	0	0	0	108.4	N65 G70 V136	I63-N65 WeakPolarHBondContact CG2-OD1 3.32Å; I63-G70 WeakPolarHBondContact O-CA 3.16Å; I63-V136 HydrophobicContact CG1-CG1 3.96Å
64	R	98.6	Very high	98.3	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.255	C	S	.	.			trans	-143.1	44	-169.3	60.9	-171.6	-171.7	-78.2	-16.5	112	I60 I62 H71 V74 Y127 E128 S129 V136 G137 D140	I60-R64 PolarHBondContact O-NH1 2.76Å; I62-R64 WeakPolarHBondContact O-CG 3.4Å; I62-R64 PolarHBondContact O-N 3.36Å; I62-R64 PolarHBondContact O-NH1 2.92Å; R64-H71 HydrophobicContact CB-CB 4.47Å; R64-H71 PolarHBondContact O-CD2 3.37Å; R64-V74 HydrophobicContact CB-CG2 4.14Å; R64-Y127 WeakPolarHBondContact CD-O 3.26Å; R64-Y127 PolarHBondContact NE-O 3.32Å; R64-E128 PolarHBondContact NE-O 3.13Å; R64-E128 PolarHBondContact NH2-O 2.67Å; R64-E128 VanDerWaalsContact NH2-O 3.12Å; R64-E128 WeakPolarHBondContact O-CA 3.4Å; R64-S129 PolarHBondContact N-OG 2.99Å; R64-S129 PolarHBondContact O-N 2.85Å; R64-V136 PolarHBondContact NH1-O 2.76Å; R64-G137 PolarHBondContact NH2-O 2.66Å; R64-D140 PolarHBondContact NH2-O 3.04Å
65	N	97.1	Very high	98.4	Very high	17 Å²	17	46 Å²	46	9%	0.091	25%	0.247	C	C	.	.			trans	-62.1	145.6	175	-47.2	114.8	0	0	0	111.2	I63 G67 T68 H71 S129 K130 L131	I63-N65 WeakPolarHBondContact CG2-OD1 3.32Å; N65-G67 PolarHBondContact O-N 2.87Å; N65-T68 HydrophobicContact CB-CG2 3.87Å; N65-T68 PolarHBondContact N-OG1 2.73Å; N65-T68 WeakPolarHBondContact O-CB 3.32Å; N65-T68 WeakPolarHBondContact O-CG2 3.38Å; N65-T68 PolarHBondContact O-N 2.96Å; N65-T68 PolarHBondContact O-OG1 3.21Å; N65-H71 WeakPolarHBondContact O-CB 3.48Å; N65-S129 PolarHBondContact N-OG 3.01Å; N65-S129 PolarHBondContact ND2-O 2.88Å; N65-S129 PolarHBondContact ND2-OG 2.9Å; N65-K130 PolarHBondContact ND2-O 3.2Å; N65-L131 HydrophobicContact CB-CD1 4.1Å; N65-L131 WeakPolarHBondContact ND2-CA 3.08Å; N65-L131 PolarHBondContact ND2-N 3.4Å
66	V	98.4	Very high	98.4	Very high	11 Å²	11	42.1 Å²	42.1	7%	0.067	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46	121.7	-180	-176.6	0	0	0	0	111.9	K103 F105 E128 F180	V66-K103 HydrophobicContact CG1-CB 4.34Å; V66-F105 HydrophobicContact CB-CE1 4.49Å; V66-F105 HydrophobicContact CG1-CD1 3.84Å; V66-F105 HydrophobicContact CG1-CE1 3.86Å; V66-F105 HydrophobicContact CG2-CD1 4.23Å; V66-F105 HydrophobicContact CG2-CE1 4.05Å; V66-E128 HydrophobicContact CG2-CB 4.06Å; V66-E128 HydrophobicContact CG2-CG 4.09Å; V66-F180 HydrophobicContact CB-CE1 4.23Å; V66-F180 HydrophobicContact CB-CZ 4.01Å; V66-F180 HydrophobicContact CG1-CZ 4.37Å; V66-F180 HydrophobicContact CG2-CZ 4.05Å
67	G	97	Very high	98.4	Very high	64 Å²	64	43.9 Å²	43.9	66%	0.66	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.1	4.5	177.1	0	0	0	0	0	115.9	N65 H71	N65-G67 PolarHBondContact O-N 2.87Å; G67-H71 PolarHBondContact N-ND1 3.32Å
68	T	97.5	Very high	98.4	Very high	44 Å²	44	43.9 Å²	43.9	27%	0.27	25%	0.245	S	C	.	.	S	Bend	trans	-84.7	161.8	173.9	63.2	0	0	0	0	112.5	N65 G70 H71 L72	N65-T68 HydrophobicContact CB-CG2 3.87Å; N65-T68 PolarHBondContact N-OG1 2.73Å; N65-T68 WeakPolarHBondContact O-CB 3.32Å; N65-T68 WeakPolarHBondContact O-CG2 3.38Å; N65-T68 PolarHBondContact O-N 2.96Å; N65-T68 PolarHBondContact O-OG1 3.21Å; T68-G70 PolarHBondContact O-N 3.41Å; T68-H71 WeakPolarHBondContact O-CB 3.26Å; T68-H71 PolarHBondContact O-N 3.28Å; T68-H71 VanDerWaalsContact O-N 3.17Å; T68-H71 PolarHBondContact OG1-N 3.34Å; T68-L72 PolarHBondContact O-N 3.18Å; T68-L72 VanDerWaalsContact O-N 3.15Å
69	P	98.2	Very high	98.5	Very high	114 Å²	114	41.3 Å²	41.3	74%	0.74	23%	0.23	S	C	*	.	H	α-helix	trans	-58	-32.5	172.1	-27	35.9	0	0	0	114.2	L72 K73	P69-L72 PolarHBondContact O-N 2.97Å; P69-K73 WeakPolarHBondContact O-CB 3.39Å; P69-K73 PolarHBondContact O-N 3.25Å
70	G	98.6	Very high	98.4	Very high	15 Å²	15	41.3 Å²	41.3	16%	0.155	23%	0.232	C	C	.	.	H	α-helix	trans	-67.9	-38.7	176.2	0	0	0	0	0	112.6	I63 T68 K73 V74	I63-G70 WeakPolarHBondContact O-CA 3.16Å; T68-G70 PolarHBondContact O-N 3.41Å; G70-K73 PolarHBondContact O-N 3.2Å; G70-V74 WeakPolarHBondContact O-CG2 3.5Å; G70-V74 PolarHBondContact O-N 2.98Å
71	H	98.7	Very high	98.4	Very high	5 Å²	5	42 Å²	42	2%	0.023	24%	0.235	C	C	.	.	H	α-helix	trans	-61.5	-45.3	173.4	178.8	-111.4	0	0	0	112.5	R64 N65 G67 T68 V74 R75 Y127 D175	R64-H71 HydrophobicContact CB-CB 4.47Å; R64-H71 PolarHBondContact O-CD2 3.37Å; N65-H71 WeakPolarHBondContact O-CB 3.48Å; G67-H71 PolarHBondContact N-ND1 3.32Å; T68-H71 WeakPolarHBondContact O-CB 3.26Å; T68-H71 PolarHBondContact O-N 3.28Å; T68-H71 VanDerWaalsContact O-N 3.17Å; T68-H71 PolarHBondContact OG1-N 3.34Å; H71-V74 PolarHBondContact O-N 3.08Å; H71-R75 WeakPolarHBondContact O-CB 3.33Å; H71-R75 PolarHBondContact O-N 3.3Å; H71-Y127 AromaticContact CD2-CE2 3.32Å; H71-Y127 WeakPolarHBondContact CD2-CE2 2.78Å; H71-Y127 AromaticContact CD2-CZ 3.82Å; H71-Y127 AromaticContact CE1-CZ 3.98Å; H71-Y127 PolarHBondContact CE1-OH 3.44Å; H71-Y127 AromaticContact NE2-CE2 3.37Å; H71-Y127 WeakPolarHBondContact NE2-CE2 3.37Å; H71-Y127 AromaticContact NE2-CZ 3.32Å; H71-Y127 VanDerWaalsContact NE2-CZ 3.32Å; H71-Y127 PolarHBondContact NE2-OH 3.11Å; H71-D175 IonicContact CD2-OD1 3.83Å; H71-D175 IonicContact CE1-OD1 2.93Å; H71-D175 PolarHBondContact CE1-OD1 2.83Å; H71-D175 IonicContact CE1-OD2 3.57Å; H71-D175 PolarHBondContact CE1-OD2 3.33Å; H71-D175 IonicContact NE2-OD1 3.74Å; H71-D175 PolarHBondContact NE2-OD1 3.38Å; H71-D175 IonicContact NE2-OD2 3.05Å; H71-D175 PolarHBondContact NE2-OD2 2.76Å; H71-D175 VanDerWaalsContact NE2-OD2 3.12Å
72	L	98.7	Very high	98.3	Very high	69 Å²	69	41 Å²	41	36%	0.361	23%	0.23	S	C	.	.	H	α-helix	trans	-57.9	-49.4	171.6	174.1	63.2	0	0	0	111.6	T68 P69 V74 R75 E76	T68-L72 PolarHBondContact O-N 3.18Å; T68-L72 VanDerWaalsContact O-N 3.15Å; P69-L72 PolarHBondContact O-N 2.97Å; L72-V74 VanDerWaalsContact C-N 3.35Å; L72-V74 PolarHBondContact O-N 3.28Å; L72-R75 PolarHBondContact O-N 2.79Å; L72-E76 HydrophobicContact CD1-CG 4.01Å; L72-E76 WeakPolarHBondContact CD1-OE1 3.32Å; L72-E76 HydrophobicContact CG-CG 4.46Å; L72-E76 WeakPolarHBondContact O-CG 3.49Å; L72-E76 PolarHBondContact O-N 3.38Å
73	K	98.8	Very high	98.2	Very high	99 Å²	99	42.3 Å²	42.3	43%	0.43	24%	0.237	S	C	.	.	H	α-helix	trans	-58.4	-44.9	-179	-178	-177.4	173.4	-163.8	0	112	E59 I62 P69 G70 F77	E59-K73 IonicContact OE2-NZ 2.63Å; I62-K73 HydrophobicContact CD1-CB 4.44Å; I62-K73 HydrophobicContact CD1-CD 3.93Å; I62-K73 HydrophobicContact CD1-CG 4.48Å; P69-K73 WeakPolarHBondContact O-CB 3.39Å; P69-K73 PolarHBondContact O-N 3.25Å; G70-K73 PolarHBondContact O-N 3.2Å; K73-F77 WeakPolarHBondContact O-CB 3.34Å; K73-F77 PolarHBondContact O-N 3.14Å
74	V	98.9	Very high	98.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-66.9	-42.4	179.4	172.5	0	0	0	0	111.2	I60 I62 R64 G70 H71 L72 F77 I78 Y127	I60-V74 HydrophobicContact CG1-CG1 4.43Å; I60-V74 HydrophobicContact CG2-CG1 3.96Å; I62-V74 HydrophobicContact CD1-CG2 3.93Å; I62-V74 HydrophobicContact CG1-CG2 3.81Å; R64-V74 HydrophobicContact CB-CG2 4.14Å; G70-V74 WeakPolarHBondContact O-CG2 3.5Å; G70-V74 PolarHBondContact O-N 2.98Å; H71-V74 PolarHBondContact O-N 3.08Å; L72-V74 VanDerWaalsContact C-N 3.35Å; L72-V74 PolarHBondContact O-N 3.28Å; V74-F77 PolarHBondContact O-N 3.08Å; V74-I78 HydrophobicContact CG1-CD1 3.82Å; V74-I78 HydrophobicContact CG1-CG1 4.4Å; V74-I78 WeakPolarHBondContact O-CG1 3.37Å; V74-I78 PolarHBondContact O-N 3.36Å; V74-Y127 HydrophobicContact CG1-CD2 4Å
75	R	98.8	Very high	97.9	Very high	36 Å²	36	49 Å²	49	14%	0.136	26%	0.262	C	S	.	.	H	α-helix	trans	-58.5	-50.2	175.3	177.3	-179.8	68.3	-175	-0.3	111.8	H71 L72 F77 I78 Q79 L91 H106 I108 Y127	H71-R75 WeakPolarHBondContact O-CB 3.33Å; H71-R75 PolarHBondContact O-N 3.3Å; L72-R75 PolarHBondContact O-N 2.79Å; R75-F77 VanDerWaalsContact C-N 3.32Å; R75-F77 PolarHBondContact O-N 3.27Å; R75-I78 PolarHBondContact O-N 3.39Å; R75-Q79 WeakPolarHBondContact O-CG 3.38Å; R75-Q79 PolarHBondContact O-N 3.48Å; R75-L91 HydrophobicContact CG-CD2 4.28Å; R75-H106 PolarHBondContact NH1-CD2 2.9Å; R75-H106 PolarHBondContact NH1-CE1 3.32Å; R75-H106 PolarHBondContact NH1-ND1 2.79Å; R75-H106 PolarHBondContact NH1-NE2 2.74Å; R75-I108 HydrophobicContact CB-CD1 4.08Å; R75-I108 HydrophobicContact CG-CD1 3.71Å; R75-I108 HydrophobicContact CG-CG1 4.03Å; R75-Y127 HydrophobicContact CB-CE2 4.09Å
76	E	98.7	Very high	97.7	Very high	104 Å²	104	50.3 Å²	50.3	49%	0.486	28%	0.279	S	S	.	.	H	α-helix	trans	-60.4	-43.1	177.5	-72.5	178	164.2	0	0	111.2	L72 I78 Q79 D80	L72-E76 HydrophobicContact CD1-CG 4.01Å; L72-E76 WeakPolarHBondContact CD1-OE1 3.32Å; L72-E76 HydrophobicContact CG-CG 4.46Å; L72-E76 WeakPolarHBondContact O-CG 3.49Å; L72-E76 PolarHBondContact O-N 3.38Å; E76-I78 PolarHBondContact O-N 3.18Å; E76-Q79 PolarHBondContact O-N 3.24Å; E76-D80 VanDerWaalsContact O-CB 3.26Å; E76-D80 WeakPolarHBondContact O-CB 3.43Å; E76-D80 PolarHBondContact O-N 3.41Å
77	F	98.8	Very high	97.5	Very high	42 Å²	42	50.1 Å²	50.1	18%	0.184	28%	0.277	C	S	.	.	H	α-helix	trans	-58.6	-48.2	175.9	171.9	-101.6	0	0	0	112.3	I56 E59 I60 K73 V74 R75 D80 Y81 L149	I56-F77 HydrophobicContact CG2-CE1 4.07Å; I56-F77 HydrophobicContact CG2-CZ 4.24Å; E59-F77 HydrophobicContact CB-CD1 3.97Å; E59-F77 HydrophobicContact CB-CD2 3.78Å; E59-F77 HydrophobicContact CB-CE1 3.77Å; E59-F77 HydrophobicContact CB-CE2 3.58Å; E59-F77 HydrophobicContact CB-CG 3.97Å; E59-F77 HydrophobicContact CB-CZ 3.57Å; E59-F77 HydrophobicContact CG-CD2 4.01Å; E59-F77 HydrophobicContact CG-CE2 3.56Å; E59-F77 HydrophobicContact CG-CZ 3.87Å; I60-F77 HydrophobicContact CD1-CD1 4.28Å; I60-F77 HydrophobicContact CD1-CE1 3.99Å; I60-F77 HydrophobicContact CG1-CD1 3.78Å; I60-F77 HydrophobicContact CG1-CE1 3.72Å; K73-F77 WeakPolarHBondContact O-CB 3.34Å; K73-F77 PolarHBondContact O-N 3.14Å; V74-F77 PolarHBondContact O-N 3.08Å; R75-F77 VanDerWaalsContact C-N 3.32Å; R75-F77 PolarHBondContact O-N 3.27Å; F77-D80 PolarHBondContact O-N 3.47Å; F77-Y81 HydrophobicContact CE1-CD2 4.44Å; F77-Y81 HydrophobicContact CE2-CD2 4.2Å; F77-Y81 AromaticContact CZ-CD2 3.79Å; F77-Y81 HydrophobicContact CZ-CD2 3.79Å; F77-Y81 HydrophobicContact CZ-CE2 4.44Å; F77-Y81 WeakPolarHBondContact O-CB 3.27Å; F77-Y81 PolarHBondContact O-N 3.33Å; F77-L149 HydrophobicContact CD1-CD1 4.49Å; F77-L149 HydrophobicContact CE1-CD1 3.88Å
78	I	98.8	Very high	97.5	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-59.2	-49.6	178	-70.2	165.7	0	0	0	110	V74 R75 E76 Y81 L82 I108 Y127 L149 F173	V74-I78 HydrophobicContact CG1-CD1 3.82Å; V74-I78 HydrophobicContact CG1-CG1 4.4Å; V74-I78 WeakPolarHBondContact O-CG1 3.37Å; V74-I78 PolarHBondContact O-N 3.36Å; R75-I78 PolarHBondContact O-N 3.39Å; E76-I78 PolarHBondContact O-N 3.18Å; I78-Y81 PolarHBondContact O-N 2.72Å; I78-L82 HydrophobicContact CG2-CD1 4.14Å; I78-L82 WeakPolarHBondContact O-CG 3.34Å; I78-L82 PolarHBondContact O-N 2.92Å; I78-L82 VanDerWaalsContact O-N 3.08Å; I78-I108 HydrophobicContact CB-CD1 3.9Å; I78-I108 HydrophobicContact CD1-CD1 3.85Å; I78-I108 HydrophobicContact CG1-CD1 4.48Å; I78-I108 HydrophobicContact CG2-CD1 3.82Å; I78-I108 HydrophobicContact CG2-CG2 4.1Å; I78-Y127 HydrophobicContact CD1-CG 4.26Å; I78-L149 HydrophobicContact CG1-CD1 4.26Å; I78-L149 HydrophobicContact CG2-CD2 4.37Å; I78-F173 HydrophobicContact CD1-CB 4.44Å; I78-F173 HydrophobicContact CD1-CD1 3.9Å; I78-F173 HydrophobicContact CD1-CE1 4.36Å; I78-F173 HydrophobicContact CD1-CG 4.15Å; I78-F173 HydrophobicContact CG2-CD1 4.4Å; I78-F173 HydrophobicContact CG2-CD2 3.7Å; I78-F173 HydrophobicContact CG2-CE1 4.37Å; I78-F173 HydrophobicContact CG2-CE2 3.69Å; I78-F173 HydrophobicContact CG2-CG 4.08Å; I78-F173 HydrophobicContact CG2-CZ 4.03Å
79	Q	98.6	Very high	97.5	Very high	35 Å²	35	50.1 Å²	50.1	16%	0.164	26%	0.259	C	S	.	.	H	α-helix	trans	-60.6	-49.6	179.9	-70.6	-176.4	-98.1	0	0	111.7	R75 E76 Y81 L82 N83 I108	R75-Q79 WeakPolarHBondContact O-CG 3.38Å; R75-Q79 PolarHBondContact O-N 3.48Å; E76-Q79 PolarHBondContact O-N 3.24Å; Q79-Y81 VanDerWaalsContact C-N 3.3Å; Q79-Y81 PolarHBondContact O-N 3.17Å; Q79-L82 PolarHBondContact O-N 3.22Å; Q79-N83 WeakPolarHBondContact O-CB 3.47Å; Q79-N83 PolarHBondContact O-N 3.08Å; Q79-N83 PolarHBondContact O-ND2 2.69Å; Q79-I108 HydrophobicContact CG-CG2 3.84Å
80	D	98.4	Very high	97.5	Very high	78 Å²	78	48.5 Å²	48.5	42%	0.417	24%	0.244	S	C	.	.	H	α-helix	trans	-58.5	-42.6	176.9	-100.7	23.1	0	0	0	112.5	E76 F77 L82 N83 K84	E76-D80 VanDerWaalsContact O-CB 3.26Å; E76-D80 WeakPolarHBondContact O-CB 3.43Å; E76-D80 PolarHBondContact O-N 3.41Å; F77-D80 PolarHBondContact O-N 3.47Å; D80-L82 VanDerWaalsContact C-N 3.33Å; D80-L82 PolarHBondContact O-N 3.41Å; D80-N83 PolarHBondContact O-N 2.9Å; D80-K84 VanDerWaalsContact O-CB 3.31Å; D80-K84 WeakPolarHBondContact O-CB 3.27Å; D80-K84 WeakPolarHBondContact O-CD 3.38Å; D80-K84 VanDerWaalsContact O-CG 3.23Å; D80-K84 WeakPolarHBondContact O-CG 3.49Å; D80-K84 PolarHBondContact O-N 2.99Å; D80-K84 IonicContact OD2-NZ 3.78Å; D80-K84 PolarHBondContact OD2-NZ 2.91Å
81	Y	97.9	Very high	97.5	Very high	16 Å²	16	50.8 Å²	50.8	6%	0.063	25%	0.252	C	S	.	.	H	α-helix	trans	-61.2	-45.6	-179.3	-170.8	-79.7	0	0	0	110.6	I56 F77 I78 Q79 R85 L149 D153	I56-Y81 HydrophobicContact CD1-CE2 4.04Å; I56-Y81 WeakPolarHBondContact CD1-OH 3.26Å; I56-Y81 HydrophobicContact CG1-CE2 3.69Å; F77-Y81 HydrophobicContact CE1-CD2 4.44Å; F77-Y81 HydrophobicContact CE2-CD2 4.2Å; F77-Y81 AromaticContact CZ-CD2 3.79Å; F77-Y81 HydrophobicContact CZ-CD2 3.79Å; F77-Y81 HydrophobicContact CZ-CE2 4.44Å; F77-Y81 WeakPolarHBondContact O-CB 3.27Å; F77-Y81 PolarHBondContact O-N 3.33Å; I78-Y81 PolarHBondContact O-N 2.72Å; Q79-Y81 VanDerWaalsContact C-N 3.3Å; Q79-Y81 PolarHBondContact O-N 3.17Å; Y81-R85 VanDerWaalsContact CG-NH1 3.33Å; Y81-R85 VanDerWaalsContact O-CD 3.26Å; Y81-R85 WeakPolarHBondContact O-CD 3.23Å; Y81-R85 PolarHBondContact O-NH1 3.38Å; Y81-R85 PolarHBondContact OH-NH2 2.77Å; Y81-R85 VanDerWaalsContact OH-NH2 3.16Å; Y81-L149 HydrophobicContact CD1-CB 3.98Å; Y81-L149 HydrophobicContact CD1-CD1 4.25Å; Y81-L149 HydrophobicContact CD1-CD2 3.72Å; Y81-L149 HydrophobicContact CD1-CG 4.2Å; Y81-L149 HydrophobicContact CE1-CB 3.69Å; Y81-L149 HydrophobicContact CE1-CD2 4.26Å; Y81-L149 HydrophobicContact CE1-CG 4.42Å; Y81-L149 WeakPolarHBondContact CE1-O 3.37Å; Y81-L149 HydrophobicContact CG-CD1 4.22Å; Y81-L149 HydrophobicContact CG-CD2 4.31Å; Y81-D153 PolarHBondContact OH-OD1 3.06Å; Y81-D153 PolarHBondContact OH-OD2 2.92Å
82	L	97.5	Very high	97.5	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-67.7	-48.1	177.4	-67.2	177.1	0	0	0	111.8	I78 Q79 D80 K84 R85 G86 W87 T89 L149 V152 L171 F173	I78-L82 HydrophobicContact CG2-CD1 4.14Å; I78-L82 WeakPolarHBondContact O-CG 3.34Å; I78-L82 PolarHBondContact O-N 2.92Å; I78-L82 VanDerWaalsContact O-N 3.08Å; Q79-L82 PolarHBondContact O-N 3.22Å; D80-L82 VanDerWaalsContact C-N 3.33Å; D80-L82 PolarHBondContact O-N 3.41Å; L82-K84 VanDerWaalsContact C-N 3.34Å; L82-K84 PolarHBondContact O-N 3.27Å; L82-R85 CarbonylContact O-C 3.53Å; L82-R85 WeakPolarHBondContact O-CA 3.49Å; L82-R85 WeakPolarHBondContact O-CB 3.38Å; L82-R85 PolarHBondContact O-N 2.96Å; L82-G86 PolarHBondContact O-N 3.08Å; L82-W87 HydrophobicContact CB-CB 4Å; L82-W87 WeakPolarHBondContact O-CB 3.42Å; L82-W87 PolarHBondContact O-N 2.85Å; L82-W87 VanDerWaalsContact O-N 3.16Å; L82-T89 HydrophobicContact CB-CG2 3.66Å; L82-T89 HydrophobicContact CD1-CG2 3.67Å; L82-T89 HydrophobicContact CG-CG2 4.31Å; L82-L149 HydrophobicContact CD2-CD2 3.82Å; L82-L149 HydrophobicContact CG-CD2 4.03Å; L82-V152 HydrophobicContact CD2-CB 4.44Å; L82-V152 HydrophobicContact CD2-CG1 4.17Å; L82-V152 HydrophobicContact CD2-CG2 3.93Å; L82-L171 HydrophobicContact CD1-CD1 4.21Å; L82-L171 HydrophobicContact CD2-CD1 3.48Å; L82-L171 VanDerWaalsContact CD2-CD1 3.48Å; L82-F173 HydrophobicContact CD1-CE2 4.21Å
83	N	96.5	Very high	97.5	Very high	73 Å²	73	50.8 Å²	50.8	39%	0.39	26%	0.255	S	S	.	.	H	α-helix	trans	-59.1	-43.5	-179.5	-68.3	-21	0	0	0	111.7	Q79 D80 R85 G86 W87 T89	Q79-N83 WeakPolarHBondContact O-CB 3.47Å; Q79-N83 PolarHBondContact O-N 3.08Å; Q79-N83 PolarHBondContact O-ND2 2.69Å; D80-N83 PolarHBondContact O-N 2.9Å; N83-R85 PolarHBondContact O-N 3.13Å; N83-G86 PolarHBondContact O-N 2.88Å; N83-W87 WeakPolarHBondContact CA-O 3.14Å; N83-W87 PolarHBondContact OD1-O 3.37Å; N83-T89 PolarHBondContact ND2-OG1 2.75Å; N83-T89 PolarHBondContact OD1-OG1 3.37Å
84	K	95.3	Very high	97.5	Very high	154 Å²	154	47 Å²	47	67%	0.67	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-15.1	175.6	-74.2	165.9	-175.6	149.7	0	113.5	D80 L82	D80-K84 VanDerWaalsContact O-CB 3.31Å; D80-K84 WeakPolarHBondContact O-CB 3.27Å; D80-K84 WeakPolarHBondContact O-CD 3.38Å; D80-K84 VanDerWaalsContact O-CG 3.23Å; D80-K84 WeakPolarHBondContact O-CG 3.49Å; D80-K84 PolarHBondContact O-N 2.99Å; D80-K84 IonicContact OD2-NZ 3.78Å; D80-K84 PolarHBondContact OD2-NZ 2.91Å; L82-K84 VanDerWaalsContact C-N 3.34Å; L82-K84 PolarHBondContact O-N 3.27Å
85	R	94	Very high	97.4	Very high	54 Å²	54	53.7 Å²	53.7	20%	0.204	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	3.2	176.4	-70.7	159.4	179.5	74.8	5.8	112.9	Y81 L82 N83 V152 D153 N156	Y81-R85 VanDerWaalsContact CG-NH1 3.33Å; Y81-R85 VanDerWaalsContact O-CD 3.26Å; Y81-R85 WeakPolarHBondContact O-CD 3.23Å; Y81-R85 PolarHBondContact O-NH1 3.38Å; Y81-R85 PolarHBondContact OH-NH2 2.77Å; Y81-R85 VanDerWaalsContact OH-NH2 3.16Å; L82-R85 CarbonylContact O-C 3.53Å; L82-R85 WeakPolarHBondContact O-CA 3.49Å; L82-R85 WeakPolarHBondContact O-CB 3.38Å; L82-R85 PolarHBondContact O-N 2.96Å; N83-R85 PolarHBondContact O-N 3.13Å; R85-V152 HydrophobicContact CB-CG1 4.38Å; R85-D153 IonicContact CZ-OD1 3.84Å; R85-D153 IonicContact NE-OD1 3.78Å; R85-D153 PolarHBondContact NE-OD1 3.41Å; R85-D153 IonicContact NH2-OD1 3.11Å; R85-D153 PolarHBondContact NH2-OD1 3.23Å; R85-D153 IonicContact NH2-OD2 3.9Å; R85-N156 PolarHBondContact O-ND2 3.27Å; R85-N156 PolarHBondContact O-OD1 2.76Å; R85-N156 VanDerWaalsContact O-OD1 3.14Å
86	G	92.6	Very high	97.4	Very high	43 Å²	43	54.5 Å²	54.5	44%	0.443	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.8	29.5	179	0	0	0	0	0	113.4	L82 N83	L82-G86 PolarHBondContact O-N 3.08Å; N83-G86 PolarHBondContact O-N 2.88Å
87	W	95.1	Very high	97.3	Very high	7 Å²	7	55.7 Å²	55.7	3%	0.027	29%	0.285	C	S	.	.			trans	-94.4	151.3	164.8	-71.3	62.8	0	0	0	109.3	L82 N83 Y111 R112 V152 N156 I159 L169 L171	L82-W87 HydrophobicContact CB-CB 4Å; L82-W87 WeakPolarHBondContact O-CB 3.42Å; L82-W87 PolarHBondContact O-N 2.85Å; L82-W87 VanDerWaalsContact O-N 3.16Å; N83-W87 WeakPolarHBondContact CA-O 3.14Å; N83-W87 PolarHBondContact OD1-O 3.37Å; W87-Y111 VanDerWaalsContact CE3-C 3.46Å; W87-R112 HydrophobicContact CB-CG 4.49Å; W87-R112 HydrophobicContact CD2-CG 3.62Å; W87-R112 HydrophobicContact CE3-CG 3.91Å; W87-R112 HydrophobicContact CG-CG 3.91Å; W87-R112 HydrophobicContact CH2-CG 4.5Å; W87-R112 HydrophobicContact CZ2-CG 4.28Å; W87-R112 HydrophobicContact CZ3-CG 4.33Å; W87-V152 HydrophobicContact CD2-CG1 4.4Å; W87-V152 HydrophobicContact CG-CG1 4.44Å; W87-V152 HydrophobicContact CZ2-CG1 4.25Å; W87-V152 HydrophobicContact CZ2-CG2 4.38Å; W87-V152 VanDerWaalsContact NE1-CG1 3.35Å; W87-N156 PolarHBondContact NE1-OD1 2.64Å; W87-I159 HydrophobicContact CZ2-CD1 3.9Å; W87-L169 HydrophobicContact CH2-CB 3.95Å; W87-L169 HydrophobicContact CH2-CD2 3.8Å; W87-L169 HydrophobicContact CH2-CG 3.79Å; W87-L169 HydrophobicContact CZ2-CD2 4.28Å; W87-L169 WeakPolarHBondContact CZ3-O 3.46Å; W87-L171 HydrophobicContact CE3-CD1 4.03Å; W87-L171 HydrophobicContact CE3-CG 4.34Å; W87-L171 HydrophobicContact CH2-CD1 4.38Å; W87-L171 HydrophobicContact CH2-CD2 4.47Å; W87-L171 HydrophobicContact CH2-CG 4.31Å; W87-L171 HydrophobicContact CZ3-CD1 3.92Å; W87-L171 HydrophobicContact CZ3-CD2 4.42Å; W87-L171 HydrophobicContact CZ3-CG 3.81Å
88	E	96.7	Very high	97.3	Very high	86 Å²	86	54.5 Å²	54.5	40%	0.402	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	150.8	168.3	-67.3	169.4	-100.2	0	0	108.9	G110 Y111 S113	E88-G110 WeakPolarHBondContact O-CA 3.29Å; E88-Y111 HydrophobicContact CB-CD2 4.16Å; E88-Y111 HydrophobicContact CB-CE1 4.19Å; E88-Y111 HydrophobicContact CB-CE2 3.8Å; E88-Y111 HydrophobicContact CG-CE2 4.46Å; E88-Y111 PolarHBondContact N-O 3.41Å; E88-Y111 PolarHBondContact O-N 3.07Å; E88-S113 WeakPolarHBondContact OE1-CB 3.44Å; E88-S113 PolarHBondContact OE1-N 3.18Å; E88-S113 PolarHBondContact OE1-OG 2.92Å
89	T	98	Very high	97.2	Very high	23 Å²	23	58.7 Å²	58.7	14%	0.141	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	125.9	178.6	52.8	0	0	0	0	110.9	L82 N83 I109	L82-T89 HydrophobicContact CB-CG2 3.66Å; L82-T89 HydrophobicContact CD1-CG2 3.67Å; L82-T89 HydrophobicContact CG-CG2 4.31Å; N83-T89 PolarHBondContact ND2-OG1 2.75Å; N83-T89 PolarHBondContact OD1-OG1 3.37Å; T89-I109 WeakPolarHBondContact CA-O 3.47Å
90	D	97.7	Very high	97	Very high	80 Å²	80	60.5 Å²	60.5	43%	0.428	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	148.3	172.4	-73.6	-29.3	0	0	0	110.3	I109 Y111	D90-I109 HydrophobicContact CB-CB 4.5Å; D90-I109 PolarHBondContact N-O 3.27Å; D90-I109 PolarHBondContact O-N 3.28Å; D90-Y111 HydrophobicContact CB-CE1 4.19Å; D90-Y111 WeakPolarHBondContact OD2-CE1 3.34Å; D90-Y111 VanDerWaalsContact OD2-CZ 3.29Å; D90-Y111 PolarHBondContact OD2-OH 2.93Å
91	L	98.6	Very high	97	Very high	63 Å²	63	58.5 Å²	58.5	33%	0.33	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	122.9	170.9	-65.4	-178.4	0	0	0	110.2	R75 T93 N107 I108	R75-L91 HydrophobicContact CG-CD2 4.28Å; L91-T93 PolarHBondContact O-N 3.08Å; L91-N107 WeakPolarHBondContact CA-O 3.4Å; L91-I108 HydrophobicContact CD2-CB 4.31Å; L91-I108 HydrophobicContact CD2-CG1 3.91Å; L91-I108 HydrophobicContact CD2-CG2 4.3Å
92	D	98.6	Very high	97	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.005	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	89.4	164.2	-179.2	47.7	0	0	0	108.8	H106 N107 I109 H194 L195 K198	D92-H106 WeakPolarHBondContact O-CA 3.28Å; D92-N107 HydrophobicContact CB-CB 4.06Å; D92-N107 PolarHBondContact N-O 2.58Å; D92-N107 PolarHBondContact O-N 2.97Å; D92-N107 VanDerWaalsContact O-N 3.08Å; D92-N107 PolarHBondContact OD2-ND2 2.89Å; D92-I109 HydrophobicContact CB-CD1 4.14Å; D92-H194 IonicContact OD1-CE1 3.4Å; D92-H194 PolarHBondContact OD1-CE1 2.93Å; D92-H194 VanDerWaalsContact OD1-CE1 3.23Å; D92-H194 IonicContact OD1-ND1 2.76Å; D92-H194 PolarHBondContact OD1-ND1 3.07Å; D92-H194 IonicContact OD2-CE1 3.82Å; D92-H194 PolarHBondContact OD2-CE1 2.81Å; D92-H194 IonicContact OD2-CG 3.49Å; D92-H194 IonicContact OD2-ND1 3.23Å; D92-H194 PolarHBondContact OD2-ND1 2.79Å; D92-L195 HydrophobicContact CB-CD1 4.07Å; D92-L195 WeakPolarHBondContact OD2-CD1 3.21Å; D92-K198 WeakPolarHBondContact OD1-CD 3.48Å; D92-K198 WeakPolarHBondContact OD1-CE 3.49Å; D92-K198 IonicContact OD1-NZ 3.96Å; D92-K198 PolarHBondContact OD1-NZ 3Å
93	T	98.7	Very high	97	Very high	72 Å²	72	64.8 Å²	64.8	44%	0.442	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	130.9	-177.3	-59.8	0	0	0	0	111.5	L91 T104 F105 H106	L91-T93 PolarHBondContact O-N 3.08Å; T93-T104 HydrophobicContact CG2-CG2 3.81Å; T93-F105 VanDerWaalsContact CA-O 3.28Å; T93-F105 WeakPolarHBondContact CA-O 3.45Å; T93-H106 WeakPolarHBondContact CG2-CE1 3.34Å; T93-H106 VanDerWaalsContact CG2-ND1 3.26Å; T93-H106 WeakPolarHBondContact CG2-ND1 3.42Å; T93-H106 PolarHBondContact OG1-ND1 2.89Å
94	F	98.7	Very high	97.1	Very high	20 Å²	20	63.6 Å²	63.6	9%	0.088	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	161.5	177.1	65.1	-80.3	0	0	0	111.6	E96 T104 F105 Y190 H194	F94-E96 HydrophobicContact CD2-CB 4.36Å; F94-E96 HydrophobicContact CE2-CB 4.23Å; F94-T104 CarbonylContact O-C 3.59Å; F94-T104 WeakPolarHBondContact O-CA 3.44Å; F94-F105 HydrophobicContact CD1-CB 4.18Å; F94-F105 HydrophobicContact CD2-CD2 4.28Å; F94-F105 HydrophobicContact CE1-CB 3.59Å; F94-F105 HydrophobicContact CE1-CG 4.48Å; F94-F105 HydrophobicContact CE2-CB 4.01Å; F94-F105 AromaticContact CE2-CD2 3.7Å; F94-F105 HydrophobicContact CE2-CD2 3.7Å; F94-F105 HydrophobicContact CE2-CG 4.11Å; F94-F105 HydrophobicContact CZ-CB 3.48Å; F94-F105 VanDerWaalsContact CZ-CB 3.48Å; F94-F105 AromaticContact CZ-CD2 3.98Å; F94-F105 HydrophobicContact CZ-CD2 3.98Å; F94-F105 AromaticContact CZ-CG 3.89Å; F94-F105 HydrophobicContact CZ-CG 3.89Å; F94-F105 PolarHBondContact N-O 3.47Å; F94-F105 VanDerWaalsContact N-O 3.08Å; F94-F105 PolarHBondContact O-N 3.11Å; F94-Y190 WeakPolarHBondContact CZ-O 3.49Å; F94-H194 HydrophobicContact CD1-CB 4Å; F94-H194 AromaticContact CD1-CD2 3.83Å; F94-H194 AromaticContact CD1-CE1 3.63Å; F94-H194 AromaticContact CD1-CG 3.44Å; F94-H194 VanDerWaalsContact CD1-CG 3.44Å; F94-H194 AromaticContact CD1-ND1 3.32Å; F94-H194 VanDerWaalsContact CD1-ND1 3.32Å; F94-H194 WeakPolarHBondContact CD1-ND1 3.12Å; F94-H194 AromaticContact CD1-NE2 3.99Å; F94-H194 HydrophobicContact CD2-CB 4.15Å; F94-H194 AromaticContact CD2-CD2 3.65Å; F94-H194 AromaticContact CD2-CG 3.84Å; F94-H194 HydrophobicContact CE1-CB 3.58Å; F94-H194 AromaticContact CE1-CG 3.58Å; F94-H194 AromaticContact CE1-ND1 3.68Å; F94-H194 HydrophobicContact CE2-CB 3.75Å; F94-H194 AromaticContact CE2-CG 3.96Å; F94-H194 HydrophobicContact CG-CB 4.27Å; F94-H194 AromaticContact CG-CD2 3.48Å; F94-H194 VanDerWaalsContact CG-CD2 3.48Å; F94-H194 WeakPolarHBondContact CG-CD2 3.4Å; F94-H194 AromaticContact CG-CE1 3.79Å; F94-H194 AromaticContact CG-CG 3.59Å; F94-H194 AromaticContact CG-ND1 3.79Å; F94-H194 AromaticContact CG-NE2 3.66Å; F94-H194 HydrophobicContact CZ-CB 3.45Å; F94-H194 VanDerWaalsContact CZ-CB 3.45Å; F94-H194 AromaticContact CZ-CG 3.84Å
95	E	98.4	Very high	97.3	Very high	140 Å²	140	56.2 Å²	56.2	65%	0.654	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.5	138.7	172.2	-64.3	-172	148.3	0	0	110.2	V102 K103 T104	E95-V102 HydrophobicContact CB-CG1 4.14Å; E95-K103 VanDerWaalsContact CA-O 3.3Å; E95-K103 WeakPolarHBondContact CA-O 3.48Å; E95-T104 HydrophobicContact CG-CG2 4.14Å; E95-T104 PolarHBondContact OE1-OG1 3.43Å
96	E	98	Very high	97.5	Very high	53 Å²	53	55 Å²	55	25%	0.248	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	147.7	175.4	-168.8	165.7	155	0	0	110.1	F94 K103 F105 Y190 R193	F94-E96 HydrophobicContact CD2-CB 4.36Å; F94-E96 HydrophobicContact CE2-CB 4.23Å; E96-K103 PolarHBondContact N-O 2.93Å; E96-K103 PolarHBondContact O-N 3.21Å; E96-F105 HydrophobicContact CB-CD2 4.41Å; E96-F105 HydrophobicContact CB-CE2 4Å; E96-Y190 HydrophobicContact CB-CD1 4.36Å; E96-Y190 HydrophobicContact CG-CD1 4.15Å; E96-Y190 HydrophobicContact CG-CE1 4.42Å; E96-R193 IonicContact OE1-CZ 3.12Å; E96-R193 IonicContact OE1-NH1 2.67Å; E96-R193 PolarHBondContact OE1-NH1 2.68Å; E96-R193 IonicContact OE1-NH2 3.83Å; E96-R193 PolarHBondContact OE1-NH2 2.92Å; E96-R193 VanDerWaalsContact OE1-NH2 3.17Å
97	N	97.2	Very high	97.8	Very high	129 Å²	129	53 Å²	53	69%	0.69	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.3	128.3	171.9	-70.9	-58.4	0	0	0	109.1	V102	N97-V102 WeakPolarHBondContact OD1-CG2 3.47Å
98	T	97.4	Very high	98	Very high	18 Å²	18	52.7 Å²	52.7	11%	0.11	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	170.1	173.2	79.3	0	0	0	0	109.9	V100 G101 K103 F105 F180 Y190	T98-V100 PolarHBondContact O-N 2.85Å; T98-V100 VanDerWaalsContact O-N 3.1Å; T98-V100 VanDerWaalsContact OG1-CG2 3.23Å; T98-V100 WeakPolarHBondContact OG1-CG2 3.44Å; T98-V100 PolarHBondContact OG1-N 2.79Å; T98-V100 VanDerWaalsContact OG1-N 3.15Å; T98-G101 WeakPolarHBondContact CB-O 3.46Å; T98-G101 PolarHBondContact N-O 3.48Å; T98-G101 PolarHBondContact O-N 3.42Å; T98-G101 PolarHBondContact OG1-N 2.98Å; T98-G101 PolarHBondContact OG1-O 3.17Å; T98-K103 HydrophobicContact CG2-CB 3.87Å; T98-K103 HydrophobicContact CG2-CG 3.65Å; T98-F105 HydrophobicContact CG2-CE2 4.18Å; T98-F105 HydrophobicContact CG2-CZ 3.82Å; T98-F180 HydrophobicContact CG2-CD2 3.94Å; T98-F180 HydrophobicContact CG2-CE2 3.59Å; T98-F180 HydrophobicContact CG2-CZ 4.15Å; T98-Y190 HydrophobicContact CG2-CD1 4.49Å; T98-Y190 HydrophobicContact CG2-CE1 3.76Å
99	V	96.4	Very high	98.1	Very high	87 Å²	87	49.1 Å²	49.1	53%	0.527	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-14.4	173.6	-62.8	0	0	0	0	113.8	F180 N181 D187	V99-F180 HydrophobicContact CG2-CB 3.79Å; V99-N181 HydrophobicContact CG2-CB 3.76Å; V99-D187 HydrophobicContact CG1-CB 4.4Å
100	V	96.2	Very high	98.1	Very high	73 Å²	73	48 Å²	48	44%	0.442	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	18.3	176.3	-61.8	0	0	0	0	113.1	T98 F180	T98-V100 PolarHBondContact O-N 2.85Å; T98-V100 VanDerWaalsContact O-N 3.1Å; T98-V100 VanDerWaalsContact OG1-CG2 3.23Å; T98-V100 WeakPolarHBondContact OG1-CG2 3.44Å; T98-V100 PolarHBondContact OG1-N 2.79Å; T98-V100 VanDerWaalsContact OG1-N 3.15Å; V100-F180 HydrophobicContact CG1-CB 4.35Å; V100-F180 HydrophobicContact CG2-CB 4.07Å; V100-F180 HydrophobicContact CG2-CD1 3.53Å; V100-F180 HydrophobicContact CG2-CE1 4.17Å; V100-F180 HydrophobicContact CG2-CG 3.87Å
101	G	96.8	Very high	98	Very high	36 Å²	36	45.9 Å²	45.9	37%	0.371	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	102.9	-176.3	-179.3	0	0	0	0	0	113.6	T98 K103	T98-G101 WeakPolarHBondContact CB-O 3.46Å; T98-G101 PolarHBondContact N-O 3.48Å; T98-G101 PolarHBondContact O-N 3.42Å; T98-G101 PolarHBondContact OG1-N 2.98Å; T98-G101 PolarHBondContact OG1-O 3.17Å; G101-K103 PolarHBondContact O-N 3.46Å
102	V	97.8	Very high	97.5	Very high	84 Å²	84	45.1 Å²	45.1	51%	0.509	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	133.4	179.1	-178.6	0	0	0	0	109.9	E95 N97	E95-V102 HydrophobicContact CB-CG1 4.14Å; N97-V102 WeakPolarHBondContact OD1-CG2 3.47Å
103	K	98.4	Very high	96.7	Very high	64 Å²	64	48.7 Å²	48.7	28%	0.278	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	148.6	173.3	-64.8	-63.7	-175.5	179.2	0	110	V66 E95 E96 T98 G101 F105 F180	V66-K103 HydrophobicContact CG1-CB 4.34Å; E95-K103 VanDerWaalsContact CA-O 3.3Å; E95-K103 WeakPolarHBondContact CA-O 3.48Å; E96-K103 PolarHBondContact N-O 2.93Å; E96-K103 PolarHBondContact O-N 3.21Å; T98-K103 HydrophobicContact CG2-CB 3.87Å; T98-K103 HydrophobicContact CG2-CG 3.65Å; G101-K103 PolarHBondContact O-N 3.46Å; K103-F105 HydrophobicContact CB-CD2 4.4Å; K103-F105 HydrophobicContact CB-CE1 4.49Å; K103-F105 HydrophobicContact CB-CE2 3.68Å; K103-F105 HydrophobicContact CB-CZ 3.74Å; K103-F180 HydrophobicContact CB-CZ 4.43Å; K103-F180 HydrophobicContact CD-CE1 4.5Å; K103-F180 HydrophobicContact CG-CE1 4.12Å; K103-F180 HydrophobicContact CG-CZ 3.86Å
104	T	98.6	Very high	96.1	Very high	48 Å²	48	47.7 Å²	47.7	29%	0.294	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	126.6	170.2	-43.3	0	0	0	0	108.4	T93 F94 E95	T93-T104 HydrophobicContact CG2-CG2 3.81Å; F94-T104 CarbonylContact O-C 3.59Å; F94-T104 WeakPolarHBondContact O-CA 3.44Å; E95-T104 HydrophobicContact CG-CG2 4.14Å; E95-T104 PolarHBondContact OE1-OG1 3.43Å
105	F	98.8	Very high	95.4	Very high	0 Å²	0	53 Å²	53	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	154.4	179.9	-58.6	-91	0	0	0	110.2	V66 T93 F94 E96 T98 K103 D175 F180 Y190	V66-F105 HydrophobicContact CB-CE1 4.49Å; V66-F105 HydrophobicContact CG1-CD1 3.84Å; V66-F105 HydrophobicContact CG1-CE1 3.86Å; V66-F105 HydrophobicContact CG2-CD1 4.23Å; V66-F105 HydrophobicContact CG2-CE1 4.05Å; T93-F105 VanDerWaalsContact CA-O 3.28Å; T93-F105 WeakPolarHBondContact CA-O 3.45Å; F94-F105 HydrophobicContact CD1-CB 4.18Å; F94-F105 HydrophobicContact CD2-CD2 4.28Å; F94-F105 HydrophobicContact CE1-CB 3.59Å; F94-F105 HydrophobicContact CE1-CG 4.48Å; F94-F105 HydrophobicContact CE2-CB 4.01Å; F94-F105 AromaticContact CE2-CD2 3.7Å; F94-F105 HydrophobicContact CE2-CD2 3.7Å; F94-F105 HydrophobicContact CE2-CG 4.11Å; F94-F105 HydrophobicContact CZ-CB 3.48Å; F94-F105 VanDerWaalsContact CZ-CB 3.48Å; F94-F105 AromaticContact CZ-CD2 3.98Å; F94-F105 HydrophobicContact CZ-CD2 3.98Å; F94-F105 AromaticContact CZ-CG 3.89Å; F94-F105 HydrophobicContact CZ-CG 3.89Å; F94-F105 PolarHBondContact N-O 3.47Å; F94-F105 VanDerWaalsContact N-O 3.08Å; F94-F105 PolarHBondContact O-N 3.11Å; E96-F105 HydrophobicContact CB-CD2 4.41Å; E96-F105 HydrophobicContact CB-CE2 4Å; T98-F105 HydrophobicContact CG2-CE2 4.18Å; T98-F105 HydrophobicContact CG2-CZ 3.82Å; K103-F105 HydrophobicContact CB-CD2 4.4Å; K103-F105 HydrophobicContact CB-CE1 4.49Å; K103-F105 HydrophobicContact CB-CE2 3.68Å; K103-F105 HydrophobicContact CB-CZ 3.74Å; F105-D175 VanDerWaalsContact CA-OD2 3.29Å; F105-D175 WeakPolarHBondContact CA-OD2 3.33Å; F105-D175 HydrophobicContact CB-CB 4.29Å; F105-F180 AromaticContact CE1-CE2 3.89Å; F105-F180 HydrophobicContact CE1-CE2 3.89Å; F105-F180 AromaticContact CE1-CZ 3.85Å; F105-F180 HydrophobicContact CE1-CZ 3.85Å; F105-F180 AromaticContact CZ-CE2 3.71Å; F105-F180 HydrophobicContact CZ-CE2 3.71Å; F105-F180 AromaticContact CZ-CZ 3.88Å; F105-F180 HydrophobicContact CZ-CZ 3.88Å; F105-Y190 HydrophobicContact CE1-CD1 4.39Å; F105-Y190 HydrophobicContact CE1-CD2 4.08Å; F105-Y190 AromaticContact CE1-CG 3.82Å; F105-Y190 HydrophobicContact CE1-CG 3.82Å; F105-Y190 AromaticContact CE2-CD1 3.93Å; F105-Y190 HydrophobicContact CE2-CD1 3.93Å; F105-Y190 HydrophobicContact CE2-CG 4.13Å; F105-Y190 AromaticContact CZ-CD1 3.65Å; F105-Y190 HydrophobicContact CZ-CD1 3.65Å; F105-Y190 HydrophobicContact CZ-CD2 4.02Å; F105-Y190 HydrophobicContact CZ-CE1 4.19Å; F105-Y190 AromaticContact CZ-CG 3.55Å; F105-Y190 HydrophobicContact CZ-CG 3.55Å
106	H	98.8	Very high	94.9	Very high	29 Å²	29	51.8 Å²	51.8	13%	0.134	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	84.1	-173	-53.9	-90.4	0	0	0	112.1	R75 D92 T93 I108 Y127 D175	R75-H106 PolarHBondContact NH1-CD2 2.9Å; R75-H106 PolarHBondContact NH1-CE1 3.32Å; R75-H106 PolarHBondContact NH1-ND1 2.79Å; R75-H106 PolarHBondContact NH1-NE2 2.74Å; D92-H106 WeakPolarHBondContact O-CA 3.28Å; T93-H106 WeakPolarHBondContact CG2-CE1 3.34Å; T93-H106 VanDerWaalsContact CG2-ND1 3.26Å; T93-H106 WeakPolarHBondContact CG2-ND1 3.42Å; T93-H106 PolarHBondContact OG1-ND1 2.89Å; H106-I108 PolarHBondContact O-N 2.93Å; H106-Y127 WeakPolarHBondContact O-CE1 3.28Å; H106-Y127 PolarHBondContact O-OH 3.49Å; H106-D175 PolarHBondContact N-OD2 3.14Å
107	N	98.9	Very high	94.6	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	137.9	171	-51	-59.8	0	0	0	109.6	L91 D92 F173 F174 D175 G191	L91-N107 WeakPolarHBondContact CA-O 3.4Å; D92-N107 HydrophobicContact CB-CB 4.06Å; D92-N107 PolarHBondContact N-O 2.58Å; D92-N107 PolarHBondContact O-N 2.97Å; D92-N107 VanDerWaalsContact O-N 3.08Å; D92-N107 PolarHBondContact OD2-ND2 2.89Å; N107-F173 WeakPolarHBondContact CA-O 3.06Å; N107-F174 WeakPolarHBondContact OD1-CA 3.24Å; N107-D175 PolarHBondContact OD1-N 3.37Å; N107-G191 PolarHBondContact ND2-O 3.16Å; N107-G191 WeakPolarHBondContact OD1-CA 3.15Å
108	I	98.9	Very high	94.3	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	121.2	177.3	-44.5	169.7	0	0	0	108.4	R75 I78 Q79 L91 H106 Y127 I172 F173	R75-I108 HydrophobicContact CB-CD1 4.08Å; R75-I108 HydrophobicContact CG-CD1 3.71Å; R75-I108 HydrophobicContact CG-CG1 4.03Å; I78-I108 HydrophobicContact CB-CD1 3.9Å; I78-I108 HydrophobicContact CD1-CD1 3.85Å; I78-I108 HydrophobicContact CG1-CD1 4.48Å; I78-I108 HydrophobicContact CG2-CD1 3.82Å; I78-I108 HydrophobicContact CG2-CG2 4.1Å; Q79-I108 HydrophobicContact CG-CG2 3.84Å; L91-I108 HydrophobicContact CD2-CB 4.31Å; L91-I108 HydrophobicContact CD2-CG1 3.91Å; L91-I108 HydrophobicContact CD2-CG2 4.3Å; H106-I108 PolarHBondContact O-N 2.93Å; I108-Y127 HydrophobicContact CD1-CD1 4.16Å; I108-Y127 HydrophobicContact CD1-CE1 4.08Å; I108-Y127 HydrophobicContact CD1-CG 4.5Å; I108-Y127 HydrophobicContact CG1-CD1 4.45Å; I108-Y127 HydrophobicContact CG1-CE1 4.1Å; I108-I172 WeakPolarHBondContact O-CA 3.39Å; I108-F173 HydrophobicContact CB-CB 4.06Å; I108-F173 HydrophobicContact CB-CD2 4.26Å; I108-F173 HydrophobicContact CD1-CB 4.21Å; I108-F173 HydrophobicContact CG1-CB 4.36Å; I108-F173 PolarHBondContact N-O 3.39Å; I108-F173 PolarHBondContact O-N 3.47Å
109	I	98.7	Very high	94.1	Very high	12 Å²	12	49.7 Å²	49.7	6%	0.062	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	111.2	179.4	-57.5	154	0	0	0	108	T89 D90 D92 Y111 L171 L195 W199	T89-I109 WeakPolarHBondContact CA-O 3.47Å; D90-I109 HydrophobicContact CB-CB 4.5Å; D90-I109 PolarHBondContact N-O 3.27Å; D90-I109 PolarHBondContact O-N 3.28Å; D92-I109 HydrophobicContact CB-CD1 4.14Å; I109-Y111 HydrophobicContact CG2-CD1 4.14Å; I109-L171 CarbonylContact C-O 3.56Å; I109-L171 WeakPolarHBondContact CA-O 3.36Å; I109-L195 HydrophobicContact CD1-CD1 3.94Å; I109-L195 HydrophobicContact CD1-CD2 4.45Å; I109-L195 HydrophobicContact CG1-CD2 4.41Å; I109-W199 HydrophobicContact CD1-CZ2 3.93Å; I109-W199 HydrophobicContact CG1-CZ2 4.26Å; I109-W199 HydrophobicContact CG2-CH2 4.48Å; I109-W199 HydrophobicContact CG2-CZ2 4.14Å
110	G	98.1	Very high	94.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	130.3	175.3	0	0	0	0	0	111.3	E88 K170 L171	E88-G110 WeakPolarHBondContact O-CA 3.29Å; G110-K170 CarbonylContact O-C 3.37Å; G110-K170 WeakPolarHBondContact O-CA 3.28Å; G110-L171 PolarHBondContact N-O 2.94Å; G110-L171 PolarHBondContact O-N 3.03Å
111	Y	95.1	Very high	94.2	Very high	35 Å²	35	43.2 Å²	43.2	14%	0.137	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	173.4	178.9	61.5	-84.2	0	0	0	112.9	W87 E88 D90 I109	W87-Y111 VanDerWaalsContact CE3-C 3.46Å; E88-Y111 HydrophobicContact CB-CD2 4.16Å; E88-Y111 HydrophobicContact CB-CE1 4.19Å; E88-Y111 HydrophobicContact CB-CE2 3.8Å; E88-Y111 HydrophobicContact CG-CE2 4.46Å; E88-Y111 PolarHBondContact N-O 3.41Å; E88-Y111 PolarHBondContact O-N 3.07Å; D90-Y111 HydrophobicContact CB-CE1 4.19Å; D90-Y111 WeakPolarHBondContact OD2-CE1 3.34Å; D90-Y111 VanDerWaalsContact OD2-CZ 3.29Å; D90-Y111 PolarHBondContact OD2-OH 2.93Å; I109-Y111 HydrophobicContact CG2-CD1 4.14Å
112	R	88.7	Confident	94.3	Very high	47 Å²	47	41.6 Å²	41.6	18%	0.177	23%	0.226	C	C	.	.			trans	-125.5	123.6	165.8	-63.5	-172.6	66.1	-142.9	-17.1	108.5	W87 D114 K160	W87-R112 HydrophobicContact CB-CG 4.49Å; W87-R112 HydrophobicContact CD2-CG 3.62Å; W87-R112 HydrophobicContact CE3-CG 3.91Å; W87-R112 HydrophobicContact CG-CG 3.91Å; W87-R112 HydrophobicContact CH2-CG 4.5Å; W87-R112 HydrophobicContact CZ2-CG 4.28Å; W87-R112 HydrophobicContact CZ3-CG 4.33Å; R112-D114 PolarHBondContact O-N 3.08Å; R112-K160 VanDerWaalsContact NH2-CE 3.27Å
113	S	82.3	Confident	94.3	Very high	75 Å²	75	37.6 Å²	37.6	52%	0.524	20%	0.202	S	C	.	.			trans	-68.5	122.8	174.2	-62.2	0	0	0	0	110.4	E88	E88-S113 WeakPolarHBondContact OE1-CB 3.44Å; E88-S113 PolarHBondContact OE1-N 3.18Å; E88-S113 PolarHBondContact OE1-OG 2.92Å
114	D	85.8	Confident	94.3	Very high	51 Å²	51	34.5 Å²	34.5	27%	0.273	19%	0.189	S	C	.	.			trans	-144.8	121.3	167.5	-170.6	-36.8	0	0	0	107	R112 N116 Y117	R112-D114 PolarHBondContact O-N 3.08Å; D114-N116 PolarHBondContact O-N 2.88Å; D114-N116 VanDerWaalsContact O-N 3.13Å; D114-N116 VanDerWaalsContact OD1-CB 3.29Å; D114-N116 WeakPolarHBondContact OD1-CB 3.46Å; D114-N116 PolarHBondContact OD1-N 2.87Å; D114-N116 PolarHBondContact OD1-ND2 3.31Å; D114-Y117 HydrophobicContact CB-CD1 3.91Å; D114-Y117 HydrophobicContact CB-CD2 3.53Å; D114-Y117 HydrophobicContact CB-CE1 3.72Å; D114-Y117 HydrophobicContact CB-CE2 3.36Å; D114-Y117 HydrophobicContact CB-CG 3.81Å; D114-Y117 VanDerWaalsContact CB-CZ 3.47Å; D114-Y117 PolarHBondContact O-N 3.39Å
115	P	84.9	Confident	94.3	Very high	133 Å²	133	32.2 Å²	32.2	86%	0.864	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-15.6	-178.8	27.5	-35.8	0	0	0	113.2	Y117	P115-Y117 VanDerWaalsContact C-N 3.29Å
116	N	87.1	Confident	94.3	Very high	114 Å²	114	32.3 Å²	32.3	61%	0.61	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-8.4	176.2	-55.7	-63.8	0	0	0	112.8	D114 T118	D114-N116 PolarHBondContact O-N 2.88Å; D114-N116 VanDerWaalsContact O-N 3.13Å; D114-N116 VanDerWaalsContact OD1-CB 3.29Å; D114-N116 WeakPolarHBondContact OD1-CB 3.46Å; D114-N116 PolarHBondContact OD1-N 2.87Å; D114-N116 PolarHBondContact OD1-ND2 3.31Å; N116-T118 PolarHBondContact O-N 2.82Å
117	Y	90.8	Very high	94.4	Very high	26 Å²	26	30.9 Å²	30.9	10%	0.102	17%	0.169	C	C	.	.			trans	-79.2	115.7	-179.9	-62.4	-16.1	0	0	0	111.6	D114 P115 Y120 D166	D114-Y117 HydrophobicContact CB-CD1 3.91Å; D114-Y117 HydrophobicContact CB-CD2 3.53Å; D114-Y117 HydrophobicContact CB-CE1 3.72Å; D114-Y117 HydrophobicContact CB-CE2 3.36Å; D114-Y117 HydrophobicContact CB-CG 3.81Å; D114-Y117 VanDerWaalsContact CB-CZ 3.47Å; D114-Y117 PolarHBondContact O-N 3.39Å; P115-Y117 VanDerWaalsContact C-N 3.29Å; Y117-Y120 AromaticContact CD2-CE1 3.85Å; Y117-Y120 HydrophobicContact CD2-CE1 3.85Å; Y117-Y120 HydrophobicContact CG-CE1 4.39Å; Y117-D166 CarbonylContact C-O 3.57Å; Y117-D166 WeakPolarHBondContact CA-O 3.29Å
118	T	91.4	Very high	94.3	Very high	70 Å²	70	31 Å²	31	43%	0.429	17%	0.169	S	C	.	.			trans	-94.3	-33.1	-179.5	59	0	0	0	0	111.8	N116 D166	N116-T118 PolarHBondContact O-N 2.82Å; T118-D166 HydrophobicContact CG2-CB 4.4Å; T118-D166 PolarHBondContact N-O 3.16Å; T118-D166 VanDerWaalsContact OG1-CG 3.31Å; T118-D166 PolarHBondContact OG1-OD2 3.43Å
119	K	94.4	Very high	94.3	Very high	60 Å²	60	31.1 Å²	31.1	26%	0.261	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	173.8	177.7	-61.7	-64.7	-169.2	-170.9	0	110.9	I167 G168 S213 K214 D216	K119-I167 HydrophobicContact CB-CG1 4.28Å; K119-I167 HydrophobicContact CB-CG2 4.5Å; K119-I167 CarbonylContact O-C 3.52Å; K119-I167 WeakPolarHBondContact O-CA 3.2Å; K119-G168 PolarHBondContact O-N 3.39Å; K119-S213 PolarHBondContact NZ-O 2.95Å; K119-K214 CarbonylContact C-O 3.48Å; K119-K214 WeakPolarHBondContact CA-O 2.94Å; K119-D216 HydrophobicContact CB-CB 4Å
120	Y	96.3	Very high	94.3	Very high	24 Å²	24	31.6 Å²	31.6	9%	0.094	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	131.6	177.6	-63.9	-83.9	0	0	0	112	Y117 G168 K170 K214 D216	Y117-Y120 AromaticContact CD2-CE1 3.85Å; Y117-Y120 HydrophobicContact CD2-CE1 3.85Å; Y117-Y120 HydrophobicContact CG-CE1 4.39Å; Y120-G168 WeakPolarHBondContact CA-O 3.39Å; Y120-K170 HydrophobicContact CD1-CB 4.39Å; Y120-K170 HydrophobicContact CD1-CD 3.83Å; Y120-K170 HydrophobicContact CD1-CG 3.5Å; Y120-K170 HydrophobicContact CD2-CD 4Å; Y120-K170 HydrophobicContact CE1-CD 4.2Å; Y120-K170 HydrophobicContact CE1-CG 3.99Å; Y120-K170 HydrophobicContact CE2-CD 4.38Å; Y120-K170 HydrophobicContact CG-CD 3.71Å; Y120-K170 HydrophobicContact CG-CG 3.82Å; Y120-K170 VanDerWaalsContact CZ-CE 3.48Å; Y120-K214 HydrophobicContact CD2-CB 4.1Å; Y120-K214 HydrophobicContact CE2-CB 4.48Å; Y120-K214 HydrophobicContact CE2-CD 4.34Å; Y120-K214 PolarHBondContact N-O 2.86Å; Y120-D216 PolarHBondContact O-N 3.23Å
121	L	97.1	Very high	94.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	129.8	153.7	176.5	65.1	0	0	0	107.5	I167 G168 L169 K170 L217 V219 F328 V329 Y332 L333	L121-I167 HydrophobicContact CB-CG2 4.28Å; L121-G168 PolarHBondContact N-O 3.38Å; L121-L169 HydrophobicContact CB-CD1 4.36Å; L121-L169 HydrophobicContact CD2-CD1 4.2Å; L121-L169 HydrophobicContact CG-CD1 4.19Å; L121-L169 WeakPolarHBondContact O-CA 3.12Å; L121-K170 PolarHBondContact O-N 2.73Å; L121-L217 HydrophobicContact CD1-CB 3.84Å; L121-L217 HydrophobicContact CD1-CD2 3.8Å; L121-L217 HydrophobicContact CD1-CG 4.1Å; L121-V219 HydrophobicContact CD1-CG2 3.72Å; L121-F328 HydrophobicContact CD1-CE1 4.42Å; L121-V329 HydrophobicContact CD2-CB 4.4Å; L121-V329 HydrophobicContact CD2-CG1 4.12Å; L121-V329 HydrophobicContact CD2-CG2 4.15Å; L121-Y332 HydrophobicContact CB-CD1 4.12Å; L121-Y332 HydrophobicContact CB-CE1 4.2Å; L121-Y332 HydrophobicContact CD1-CD1 4.11Å; L121-Y332 HydrophobicContact CD1-CE1 4.09Å; L121-Y332 HydrophobicContact CD1-CG 4.44Å; L121-Y332 HydrophobicContact CD2-CD1 3.89Å; L121-Y332 HydrophobicContact CD2-CG 4.12Å; L121-Y332 HydrophobicContact CG-CD1 4.27Å; L121-L333 HydrophobicContact CB-CD2 3.94Å; L121-L333 HydrophobicContact CD2-CD1 4.33Å; L121-L333 HydrophobicContact CD2-CD2 4.19Å; L121-L333 HydrophobicContact CD2-CG 4.07Å
122	I	98.4	Very high	94.3	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	129.5	175.4	-68.9	164.3	0	0	0	109.4	A124 K170 I172 W199 I215 L217 L218 V219	I122-A124 HydrophobicContact CG2-CB 4.2Å; I122-K170 VanDerWaalsContact CA-O 3.3Å; I122-K170 WeakPolarHBondContact CA-O 3.49Å; I122-K170 HydrophobicContact CG1-CB 3.69Å; I122-I172 HydrophobicContact CD1-CD1 4.08Å; I122-I172 HydrophobicContact CG2-CB 4.37Å; I122-I172 HydrophobicContact CG2-CD1 3.75Å; I122-I172 HydrophobicContact CG2-CG1 3.79Å; I122-W199 HydrophobicContact CD1-CH2 4.32Å; I122-W199 HydrophobicContact CD1-CZ3 3.83Å; I122-I215 HydrophobicContact CD1-CB 4.22Å; I122-I215 HydrophobicContact CD1-CD1 3.77Å; I122-I215 HydrophobicContact CD1-CG1 3.56Å; I122-I215 HydrophobicContact CD1-CG2 3.83Å; I122-L217 PolarHBondContact N-O 3.36Å; I122-L218 HydrophobicContact CB-CD1 3.93Å; I122-L218 HydrophobicContact CG2-CD1 3.46Å; I122-L218 VanDerWaalsContact CG2-CD1 3.46Å; I122-V219 PolarHBondContact O-N 3.31Å
123	L	98.8	Very high	94.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	131.5	159.6	-56.8	-177.8	0	0	0	108.5	I148 I151 L169 K170 L171 I172 V219 V329	L123-I148 HydrophobicContact CB-CD1 4.09Å; L123-I148 HydrophobicContact CB-CG1 4.15Å; L123-I148 HydrophobicContact CB-CG2 4.24Å; L123-I151 HydrophobicContact CD1-CD1 3.95Å; L123-I151 HydrophobicContact CD1-CG2 4.1Å; L123-L169 HydrophobicContact CD1-CD1 4.5Å; L123-L169 HydrophobicContact CG-CD1 4.12Å; L123-K170 PolarHBondContact N-O 2.76Å; L123-L171 HydrophobicContact CB-CD2 4.14Å; L123-L171 HydrophobicContact CD1-CD2 4.37Å; L123-L171 HydrophobicContact CG-CD2 4.49Å; L123-L171 CarbonylContact O-C 3.35Å; L123-L171 VanDerWaalsContact O-CA 3.27Å; L123-L171 WeakPolarHBondContact O-CA 3.29Å; L123-I172 PolarHBondContact O-N 3.37Å; L123-V219 CarbonylContact C-O 3.47Å; L123-V219 WeakPolarHBondContact CA-O 3.25Å; L123-V219 HydrophobicContact CD2-CB 3.77Å; L123-V219 HydrophobicContact CD2-CG1 4.17Å; L123-V219 HydrophobicContact CD2-CG2 4.13Å; L123-V329 HydrophobicContact CD1-CG2 3.99Å; L123-V329 HydrophobicContact CD2-CG2 3.87Å; L123-V329 HydrophobicContact CG-CG2 4.35Å
124	A	98.9	Very high	95.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	155.9	-179.6	0	0	0	0	0	113.4	I122 I172 F174 L218 V219 L220 L221	I122-A124 HydrophobicContact CG2-CB 4.2Å; A124-I172 WeakPolarHBondContact CA-O 3.21Å; A124-I172 HydrophobicContact CB-CB 4.06Å; A124-F174 HydrophobicContact CB-CD2 4.24Å; A124-F174 HydrophobicContact CB-CE2 3.63Å; A124-F174 HydrophobicContact CB-CZ 4.44Å; A124-L218 HydrophobicContact CB-CD1 3.71Å; A124-V219 PolarHBondContact N-O 2.96Å; A124-L220 HydrophobicContact CB-CD1 4.03Å; A124-L220 WeakPolarHBondContact O-CA 3.47Å; A124-L221 PolarHBondContact O-N 3.33Å
125	C	98.9	Very high	95.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	169.4	164.7	63.9	0	0	0	0	107.9	P144 C145 I148 I172 F173 F174 L221	C125-P144 HydrophobicContact CB-CB 3.7Å; C125-C145 VanDerWaalsContact SG-CA 3.57Å; C125-C145 PolarHBondContact SG-SG 3.14Å; C125-I148 HydrophobicContact CB-CD1 4.14Å; C125-I172 PolarHBondContact N-O 3.03Å; C125-F173 CarbonylContact O-C 3.44Å; C125-F173 VanDerWaalsContact O-CA 3.25Å; C125-F173 WeakPolarHBondContact O-CA 3.37Å; C125-F174 PolarHBondContact O-N 3.17Å; C125-L221 WeakPolarHBondContact CB-O 3.2Å
126	H	98.9	Very high	96.5	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	149.3	167.2	75.9	117.7	0	0	0	110.5	E128 D140 S141 C145 F174 E177 D222	H126-E128 IonicContact CE1-OE1 2.68Å; H126-E128 IonicContact CG-OE1 2.69Å; H126-E128 IonicContact CG-OE2 3.42Å; H126-E128 VanDerWaalsContact ND1-CD 3.35Å; H126-E128 IonicContact ND1-OE1 3.26Å; H126-E128 PolarHBondContact ND1-OE1 3Å; H126-E128 IonicContact ND1-OE2 3.68Å; H126-D140 IonicContact CE1-OD1 3.54Å; H126-D140 PolarHBondContact CE1-OD1 3.19Å; H126-D140 IonicContact NE2-OD1 2.87Å; H126-D140 PolarHBondContact NE2-OD1 2.92Å; H126-D140 VanDerWaalsContact NE2-OD1 3.11Å; H126-S141 WeakPolarHBondContact CD2-CB 3.37Å; H126-S141 PolarHBondContact CD2-OG 3.15Å; H126-S141 VanDerWaalsContact CD2-OG 3.27Å; H126-S141 WeakPolarHBondContact NE2-CB 3Å; H126-S141 PolarHBondContact NE2-N 3.24Å; H126-S141 PolarHBondContact NE2-OG 3.26Å; H126-S141 VanDerWaalsContact O-CB 3.32Å; H126-S141 WeakPolarHBondContact O-CB 3.42Å; H126-C145 PolarHBondContact O-SG 2.67Å; H126-C145 VanDerWaalsContact O-SG 3.37Å; H126-F174 CarbonylContact C-O 3.52Å; H126-F174 WeakPolarHBondContact CA-O 3.48Å; H126-F174 HydrophobicContact CB-CB 4.29Å; H126-E177 HydrophobicContact CB-CB 3.44Å; H126-E177 VanDerWaalsContact CB-CB 3.44Å; H126-E177 HydrophobicContact CB-CG 4.08Å; H126-D222 IonicContact CD2-OD1 3.19Å; H126-D222 IonicContact NE2-OD1 2.81Å
127	Y	98.9	Very high	97	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.156	C	C	.	.			trans	-114.2	-10.9	-178.7	82.5	-89.5	0	0	0	114.2	R64 H71 V74 R75 I78 H106 I108 F173 F174 D175	R64-Y127 WeakPolarHBondContact CD-O 3.26Å; R64-Y127 PolarHBondContact NE-O 3.32Å; H71-Y127 AromaticContact CD2-CE2 3.32Å; H71-Y127 WeakPolarHBondContact CD2-CE2 2.78Å; H71-Y127 AromaticContact CD2-CZ 3.82Å; H71-Y127 AromaticContact CE1-CZ 3.98Å; H71-Y127 PolarHBondContact CE1-OH 3.44Å; H71-Y127 AromaticContact NE2-CE2 3.37Å; H71-Y127 WeakPolarHBondContact NE2-CE2 3.37Å; H71-Y127 AromaticContact NE2-CZ 3.32Å; H71-Y127 VanDerWaalsContact NE2-CZ 3.32Å; H71-Y127 PolarHBondContact NE2-OH 3.11Å; V74-Y127 HydrophobicContact CG1-CD2 4Å; R75-Y127 HydrophobicContact CB-CE2 4.09Å; I78-Y127 HydrophobicContact CD1-CG 4.26Å; H106-Y127 WeakPolarHBondContact O-CE1 3.28Å; H106-Y127 PolarHBondContact O-OH 3.49Å; I108-Y127 HydrophobicContact CD1-CD1 4.16Å; I108-Y127 HydrophobicContact CD1-CE1 4.08Å; I108-Y127 HydrophobicContact CD1-CG 4.5Å; I108-Y127 HydrophobicContact CG1-CD1 4.45Å; I108-Y127 HydrophobicContact CG1-CE1 4.1Å; Y127-F173 HydrophobicContact CD1-CB 3.93Å; Y127-F173 HydrophobicContact CG-CB 4.41Å; Y127-F174 WeakPolarHBondContact CD1-O 3.43Å; Y127-F174 PolarHBondContact N-O 3.43Å; Y127-D175 HydrophobicContact CD1-CB 4.49Å; Y127-D175 HydrophobicContact CE1-CB 3.63Å; Y127-D175 PolarHBondContact OH-OD2 2.69Å
128	E	98.8	Very high	97.4	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.009	15%	0.152	C	C	.	.	S	Bend	trans	-70.5	174.6	170	84.3	-65	166.1	0	0	110.9	R64 V66 H126 G176 E177 E178	R64-E128 PolarHBondContact NE-O 3.13Å; R64-E128 PolarHBondContact NH2-O 2.67Å; R64-E128 VanDerWaalsContact NH2-O 3.12Å; R64-E128 WeakPolarHBondContact O-CA 3.4Å; V66-E128 HydrophobicContact CG2-CB 4.06Å; V66-E128 HydrophobicContact CG2-CG 4.09Å; H126-E128 IonicContact CE1-OE1 2.68Å; H126-E128 IonicContact CG-OE1 2.69Å; H126-E128 IonicContact CG-OE2 3.42Å; H126-E128 VanDerWaalsContact ND1-CD 3.35Å; H126-E128 IonicContact ND1-OE1 3.26Å; H126-E128 PolarHBondContact ND1-OE1 3Å; H126-E128 IonicContact ND1-OE2 3.68Å; E128-G176 PolarHBondContact OE2-N 2.84Å; E128-E177 WeakPolarHBondContact OE1-CA 3.37Å; E128-E177 VanDerWaalsContact OE1-CB 3.25Å; E128-E177 WeakPolarHBondContact OE1-CB 3.48Å; E128-E177 PolarHBondContact OE1-N 2.87Å; E128-E178 PolarHBondContact OE1-N 3.29Å
129	S	98.6	Very high	97.8	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.014	13%	0.131	C	C	.	.			trans	-122.2	145	166.6	61.3	0	0	0	0	108.1	R64 N65	R64-S129 PolarHBondContact N-OG 2.99Å; R64-S129 PolarHBondContact O-N 2.85Å; N65-S129 PolarHBondContact N-OG 3.01Å; N65-S129 PolarHBondContact ND2-O 2.88Å; N65-S129 PolarHBondContact ND2-OG 2.9Å
130	K	98.1	Very high	98	Very high	22 Å²	22	21.6 Å²	21.6	10%	0.096	12%	0.119	C	C	.	.			trans	-51.2	141.5	177	-159.6	168.6	-171.5	62.4	0	113.6	N65 L132 F135 E178 A179	N65-K130 PolarHBondContact ND2-O 3.2Å; K130-L132 HydrophobicContact CB-CD1 4.41Å; K130-L132 HydrophobicContact CB-CG 4.32Å; K130-L132 HydrophobicContact CD-CD1 3.87Å; K130-L132 HydrophobicContact CD-CG 4.05Å; K130-L132 HydrophobicContact CG-CD1 4.29Å; K130-L132 HydrophobicContact CG-CG 4.03Å; K130-L132 PolarHBondContact O-N 3.23Å; K130-F135 HydrophobicContact CB-CD1 3.78Å; K130-F135 HydrophobicContact CB-CE1 3.67Å; K130-E178 HydrophobicContact CB-CB 4.39Å; K130-E178 HydrophobicContact CB-CG 3.94Å; K130-E178 WeakPolarHBondContact CB-OE1 3.21Å; K130-E178 WeakPolarHBondContact CD-OE2 3.47Å; K130-E178 HydrophobicContact CG-CB 4.23Å; K130-E178 HydrophobicContact CG-CG 4.17Å; K130-E178 IonicContact NZ-OE2 2.95Å; K130-E178 PolarHBondContact NZ-OE2 3.33Å; K130-A179 PolarHBondContact NZ-O 2.98Å
131	L	96.9	Very high	98.1	Very high	82 Å²	82	20.5 Å²	20.5	43%	0.429	11%	0.114	S	C	.	.	S	Bend	trans	-70.3	73.2	175	-171.9	63.6	0	0	0	111.7	N65 F180	N65-L131 HydrophobicContact CB-CD1 4.1Å; N65-L131 WeakPolarHBondContact ND2-CA 3.08Å; N65-L131 PolarHBondContact ND2-N 3.4Å; L131-F180 HydrophobicContact CD2-CD1 4.1Å
132	L	95.8	Very high	98.2	Very high	57 Å²	57	20.5 Å²	20.5	30%	0.298	11%	0.114	S	C	.	.			trans	-125.2	142.5	174.6	-68.2	177.5	0	0	0	110	K130 N134 F135 H304	K130-L132 HydrophobicContact CB-CD1 4.41Å; K130-L132 HydrophobicContact CB-CG 4.32Å; K130-L132 HydrophobicContact CD-CD1 3.87Å; K130-L132 HydrophobicContact CD-CG 4.05Å; K130-L132 HydrophobicContact CG-CD1 4.29Å; K130-L132 HydrophobicContact CG-CG 4.03Å; K130-L132 PolarHBondContact O-N 3.23Å; L132-N134 PolarHBondContact O-N 2.76Å; L132-F135 HydrophobicContact CB-CB 3.56Å; L132-F135 HydrophobicContact CB-CG 4.11Å; L132-F135 HydrophobicContact CD1-CD2 4.36Å; L132-F135 HydrophobicContact CD1-CG 4.3Å; L132-F135 WeakPolarHBondContact O-CB 3.23Å; L132-F135 PolarHBondContact O-N 3.49Å; L132-H304 HydrophobicContact CD1-CB 4.14Å
133	P	95.1	Very high	98.2	Very high	105 Å²	105	20.4 Å²	20.4	68%	0.682	11%	0.114	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	124.7	178.8	-25.1	34.2	0	0	0	112.4	F135 I306	P133-F135 PolarHBondContact O-N 2.67Å; P133-I306 WeakPolarHBondContact O-CG2 3.5Å
134	N	96.2	Very high	98.2	Very high	130 Å²	130	20.4 Å²	20.4	70%	0.695	11%	0.114	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.9	22.5	179.4	-52.7	-51.1	0	0	0	115.2	L132 I306	L132-N134 PolarHBondContact O-N 2.76Å; N134-I306 HydrophobicContact CB-CG2 4.49Å
135	F	98.3	Very high	98.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.114	C	C	.	.			trans	-87.5	123.7	178.3	-178.1	-105.4	0	0	0	111.2	K130 L132 P133 G137 D140 T305 D308	K130-F135 HydrophobicContact CB-CD1 3.78Å; K130-F135 HydrophobicContact CB-CE1 3.67Å; L132-F135 HydrophobicContact CB-CB 3.56Å; L132-F135 HydrophobicContact CB-CG 4.11Å; L132-F135 HydrophobicContact CD1-CD2 4.36Å; L132-F135 HydrophobicContact CD1-CG 4.3Å; L132-F135 WeakPolarHBondContact O-CB 3.23Å; L132-F135 PolarHBondContact O-N 3.49Å; P133-F135 PolarHBondContact O-N 2.67Å; F135-G137 VanDerWaalsContact CZ-CA 3.5Å; F135-D140 HydrophobicContact CZ-CB 4.33Å; F135-T305 VanDerWaalsContact CD2-O 3.3Å; F135-T305 WeakPolarHBondContact CD2-O 3.26Å; F135-T305 WeakPolarHBondContact CE2-O 3.38Å; F135-D308 HydrophobicContact CE2-CB 3.92Å
136	V	98.3	Very high	98.2	Very high	27 Å²	27	20.4 Å²	20.4	16%	0.164	11%	0.114	C	C	.	.			trans	-99.3	-26.5	176.4	-62.1	0	0	0	0	112.5	I63 R64 D308 N309	I63-V136 HydrophobicContact CG1-CG1 3.96Å; R64-V136 PolarHBondContact NH1-O 2.76Å; V136-D308 WeakPolarHBondContact CG2-O 3.31Å; V136-N309 HydrophobicContact CG2-CB 3.93Å
137	G	98.5	Very high	98.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.114	C	C	.	.			trans	60.8	65	-178	0	0	0	0	0	111.8	R64 F135 D140 A142 D308	R64-G137 PolarHBondContact NH2-O 2.66Å; F135-G137 VanDerWaalsContact CZ-CA 3.5Å; G137-D140 CarbonylContact C-O 3.58Å; G137-D140 VanDerWaalsContact CA-O 3.24Å; G137-D140 WeakPolarHBondContact CA-O 2.9Å; G137-D140 CarbonylContact O-C 3.58Å; G137-D140 VanDerWaalsContact O-C 3.29Å; G137-D140 PolarHBondContact O-N 3.41Å; G137-A142 WeakPolarHBondContact O-CB 3.09Å; G137-A142 PolarHBondContact O-N 3.04Å; G137-D308 WeakPolarHBondContact CA-OD2 3.41Å; G137-D308 PolarHBondContact N-O 2.68Å
138	S	98.8	Very high	98.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.114	C	C	.	.	I	π-helix	trans	-68.8	-41.8	-179.2	-75.7	0	0	0	0	112.3	N61 D140 M143 D308 N309 A310	N61-S138 PolarHBondContact ND2-OG 3.05Å; N61-S138 VanDerWaalsContact ND2-OG 3.1Å; N61-S138 WeakPolarHBondContact OD1-CA 3.37Å; N61-S138 WeakPolarHBondContact OD1-CB 2.78Å; N61-S138 PolarHBondContact OD1-OG 3.39Å; S138-D140 VanDerWaalsContact C-N 3.32Å; S138-M143 WeakPolarHBondContact O-CB 3.37Å; S138-M143 PolarHBondContact O-N 2.99Å; S138-D308 WeakPolarHBondContact CA-OD1 3.26Å; S138-D308 WeakPolarHBondContact CB-OD1 3.15Å; S138-D308 PolarHBondContact N-O 3.26Å; S138-D308 PolarHBondContact N-OD1 2.96Å; S138-D308 VanDerWaalsContact N-OD1 3.15Å; S138-D308 PolarHBondContact N-OD2 3.17Å; S138-N309 VanDerWaalsContact CB-C 3.49Å; S138-N309 WeakPolarHBondContact OG-CA 3.49Å; S138-N309 PolarHBondContact OG-O 3.04Å; S138-A310 PolarHBondContact OG-N 3.08Å; S138-A310 VanDerWaalsContact OG-N 3.12Å
139	T	98.8	Very high	98.2	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.113	C	C	.	.	I	π-helix	trans	-80.5	-19.5	169	61.2	0	0	0	0	112.9	P144 L223 L224 A226 D308 I312 I313	T139-P144 WeakPolarHBondContact O-CD 3.32Å; T139-L223 CarbonylContact O-C 3.29Å; T139-L223 WeakPolarHBondContact O-CA 3.47Å; T139-L223 PolarHBondContact O-N 3.49Å; T139-L224 VanDerWaalsContact CA-O 3.24Å; T139-L224 WeakPolarHBondContact CA-O 3.35Å; T139-L224 WeakPolarHBondContact CB-O 3.5Å; T139-L224 PolarHBondContact O-N 3.23Å; T139-A226 HydrophobicContact CG2-CB 4.27Å; T139-D308 PolarHBondContact N-OD1 2.91Å; T139-D308 PolarHBondContact N-OD2 3.42Å; T139-D308 VanDerWaalsContact OG1-CG 3.27Å; T139-D308 PolarHBondContact OG1-OD1 3.44Å; T139-D308 PolarHBondContact OG1-OD2 3.36Å; T139-I312 HydrophobicContact CG2-CD1 3.69Å; T139-I313 HydrophobicContact CG2-CD1 4.21Å
140	D	98.8	Very high	98.1	Very high	1 Å²	1	21 Å²	21	1%	0.005	12%	0.117	C	C	.	.	I	π-helix	trans	-128.3	78.1	-159	-175.1	-6	0	0	0	112.1	R64 H126 F135 G137 S138 L223 H304 D308	R64-D140 PolarHBondContact NH2-O 3.04Å; H126-D140 IonicContact CE1-OD1 3.54Å; H126-D140 PolarHBondContact CE1-OD1 3.19Å; H126-D140 IonicContact NE2-OD1 2.87Å; H126-D140 PolarHBondContact NE2-OD1 2.92Å; H126-D140 VanDerWaalsContact NE2-OD1 3.11Å; F135-D140 HydrophobicContact CZ-CB 4.33Å; G137-D140 CarbonylContact C-O 3.58Å; G137-D140 VanDerWaalsContact CA-O 3.24Å; G137-D140 WeakPolarHBondContact CA-O 2.9Å; G137-D140 CarbonylContact O-C 3.58Å; G137-D140 VanDerWaalsContact O-C 3.29Å; G137-D140 PolarHBondContact O-N 3.41Å; S138-D140 VanDerWaalsContact C-N 3.32Å; D140-L223 HydrophobicContact CB-CD2 3.54Å; D140-L223 VanDerWaalsContact CG-CD2 3.43Å; D140-H304 IonicContact OD2-CD2 3.57Å; D140-H304 PolarHBondContact OD2-CD2 3.27Å; D140-H304 IonicContact OD2-NE2 3.49Å; D140-D308 VanDerWaalsContact CB-OD2 3.32Å; D140-D308 WeakPolarHBondContact CB-OD2 3.4Å; D140-D308 PolarHBondContact N-OD2 3.46Å
141	S	98.8	Very high	98	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.112	C	C	.	.	I	π-helix	cis	-120.1	44.7	-13	-94	0	0	0	0	111.9	H126 M143 P144 C145 D222	H126-S141 WeakPolarHBondContact CD2-CB 3.37Å; H126-S141 PolarHBondContact CD2-OG 3.15Å; H126-S141 VanDerWaalsContact CD2-OG 3.27Å; H126-S141 WeakPolarHBondContact NE2-CB 3Å; H126-S141 PolarHBondContact NE2-N 3.24Å; H126-S141 PolarHBondContact NE2-OG 3.26Å; H126-S141 VanDerWaalsContact O-CB 3.32Å; H126-S141 WeakPolarHBondContact O-CB 3.42Å; S141-M143 PolarHBondContact O-N 2.94Å; S141-P144 WeakPolarHBondContact O-CD 3.32Å; S141-P144 WeakPolarHBondContact OG-CG 3.47Å; S141-C145 PolarHBondContact O-N 2.88Å; S141-C145 PolarHBondContact O-SG 2.93Å; S141-D222 PolarHBondContact OG-OD1 2.93Å
142	A	98.9	Very high	97.9	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.092	C	C	.	.	I	π-helix	trans	-60.6	-42	-179.7	0	0	0	0	0	112.8	F57 I60 N61 G137 S146	F57-A142 HydrophobicContact CD2-CB 4.38Å; F57-A142 HydrophobicContact CE2-CB 4.04Å; I60-A142 HydrophobicContact CG2-CB 3.92Å; N61-A142 HydrophobicContact CB-CB 4.22Å; G137-A142 WeakPolarHBondContact O-CB 3.09Å; G137-A142 PolarHBondContact O-N 3.04Å; A142-S146 WeakPolarHBondContact O-CB 3.41Å; A142-S146 PolarHBondContact O-N 3.48Å; A142-S146 PolarHBondContact O-OG 3.42Å
143	M	98.8	Very high	97.6	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-69	-47.2	176	-179.4	59.7	68.7	0	0	112.5	L53 F57 S138 S141 C145 S146 I147 L224 I313 W315	L53-M143 HydrophobicContact CD1-SD 4.42Å; L53-M143 HydrophobicContact CD2-SD 4.2Å; L53-M143 HydrophobicContact CG-SD 4.41Å; F57-M143 HydrophobicContact CD2-CB 4.33Å; F57-M143 HydrophobicContact CD2-CE 3.67Å; F57-M143 HydrophobicContact CD2-SD 4.46Å; F57-M143 HydrophobicContact CE2-CB 4.26Å; F57-M143 HydrophobicContact CE2-CE 3.99Å; F57-M143 HydrophobicContact CG-CE 4.11Å; S138-M143 WeakPolarHBondContact O-CB 3.37Å; S138-M143 PolarHBondContact O-N 2.99Å; S141-M143 PolarHBondContact O-N 2.94Å; M143-C145 VanDerWaalsContact C-N 3.34Å; M143-C145 PolarHBondContact O-N 2.93Å; M143-S146 CarbonylContact O-C 3.55Å; M143-S146 WeakPolarHBondContact O-CA 3.44Å; M143-S146 WeakPolarHBondContact O-CB 3.5Å; M143-S146 PolarHBondContact O-N 2.88Å; M143-I147 HydrophobicContact CG-CD1 4.06Å; M143-I147 HydrophobicContact CG-CG1 4.4Å; M143-I147 WeakPolarHBondContact O-CG1 3.33Å; M143-I147 PolarHBondContact O-N 2.79Å; M143-I147 HydrophobicContact SD-CD1 4.4Å; M143-I147 HydrophobicContact SD-CG1 4.19Å; M143-L224 WeakPolarHBondContact CB-O 3.28Å; M143-I313 HydrophobicContact CB-CD1 4.3Å; M143-I313 HydrophobicContact CE-CD1 4.02Å; M143-I313 HydrophobicContact CE-CG1 4.28Å; M143-I313 HydrophobicContact CE-CG2 3.44Å; M143-I313 VanDerWaalsContact CE-CG2 3.44Å; M143-W315 HydrophobicContact CE-CH2 4.16Å; M143-W315 HydrophobicContact CE-CZ3 3.94Å
144	P	98.9	Very high	97.4	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-48.4	-49.1	167.5	-33.6	36.8	0	0	0	114.4	C125 T139 S141 S146 I147 I148 L221 L224	C125-P144 HydrophobicContact CB-CB 3.7Å; T139-P144 WeakPolarHBondContact O-CD 3.32Å; S141-P144 WeakPolarHBondContact O-CD 3.32Å; S141-P144 WeakPolarHBondContact OG-CG 3.47Å; P144-S146 VanDerWaalsContact C-N 3.25Å; P144-S146 PolarHBondContact O-N 2.85Å; P144-I147 PolarHBondContact O-N 2.85Å; P144-I148 WeakPolarHBondContact O-CG1 3.13Å; P144-I148 PolarHBondContact O-N 3.43Å; P144-L221 HydrophobicContact CB-CB 3.84Å; P144-L221 HydrophobicContact CG-CB 4.45Å; P144-L224 HydrophobicContact CG-CB 4.03Å; P144-L224 HydrophobicContact CG-CG 4.32Å
145	C	98.9	Very high	97	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-55.5	-44.8	175.5	-69.3	0	0	0	0	111.3	I60 C125 H126 S141 M143 I148 L149 F173	I60-C145 HydrophobicContact CD1-CB 3.62Å; I60-C145 HydrophobicContact CG2-CB 4.14Å; C125-C145 VanDerWaalsContact SG-CA 3.57Å; C125-C145 PolarHBondContact SG-SG 3.14Å; H126-C145 PolarHBondContact O-SG 2.67Å; H126-C145 VanDerWaalsContact O-SG 3.37Å; S141-C145 PolarHBondContact O-N 2.88Å; S141-C145 PolarHBondContact O-SG 2.93Å; M143-C145 VanDerWaalsContact C-N 3.34Å; M143-C145 PolarHBondContact O-N 2.93Å; C145-I148 PolarHBondContact O-N 3.33Å; C145-L149 WeakPolarHBondContact O-CG 3.34Å; C145-L149 PolarHBondContact O-N 2.93Å; C145-F173 HydrophobicContact CB-CD1 4.3Å; C145-F173 HydrophobicContact CB-CE1 4.12Å
146	S	98.8	Very high	96.1	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-66	-39.4	-179	-56.7	0	0	0	0	112.8	F57 A142 M143 P144 K150	F57-S146 WeakPolarHBondContact CA-OG 3.49Å; F57-S146 PolarHBondContact N-OG 3.35Å; A142-S146 WeakPolarHBondContact O-CB 3.41Å; A142-S146 PolarHBondContact O-N 3.48Å; A142-S146 PolarHBondContact O-OG 3.42Å; M143-S146 CarbonylContact O-C 3.55Å; M143-S146 WeakPolarHBondContact O-CA 3.44Å; M143-S146 WeakPolarHBondContact O-CB 3.5Å; M143-S146 PolarHBondContact O-N 2.88Å; P144-S146 VanDerWaalsContact C-N 3.25Å; P144-S146 PolarHBondContact O-N 2.85Å; S146-K150 VanDerWaalsContact O-CB 3.23Å; S146-K150 WeakPolarHBondContact O-CB 3.48Å; S146-K150 PolarHBondContact O-N 3.18Å
147	I	98.7	Very high	94.9	Very high	0 Å²	0	14 Å²	14	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-61.2	-49.4	175.2	-72.1	170	0	0	0	109.8	L53 M143 P144 L149 K150 I151 L221 L224 L322 I325	L53-I147 HydrophobicContact CD1-CG1 4.46Å; M143-I147 HydrophobicContact CG-CD1 4.06Å; M143-I147 HydrophobicContact CG-CG1 4.4Å; M143-I147 WeakPolarHBondContact O-CG1 3.33Å; M143-I147 PolarHBondContact O-N 2.79Å; M143-I147 HydrophobicContact SD-CD1 4.4Å; M143-I147 HydrophobicContact SD-CG1 4.19Å; P144-I147 PolarHBondContact O-N 2.85Å; I147-L149 PolarHBondContact O-N 3Å; I147-K150 PolarHBondContact O-N 3.35Å; I147-K150 VanDerWaalsContact O-N 3.11Å; I147-I151 HydrophobicContact CG2-CD1 3.89Å; I147-I151 HydrophobicContact CG2-CG1 4.47Å; I147-I151 WeakPolarHBondContact O-CG1 3.41Å; I147-I151 PolarHBondContact O-N 2.81Å; I147-L221 HydrophobicContact CB-CD2 4.23Å; I147-L221 HydrophobicContact CG2-CD2 3.77Å; I147-L224 HydrophobicContact CD1-CD1 4.32Å; I147-L322 HydrophobicContact CG1-CB 4.42Å; I147-L322 HydrophobicContact CG2-CB 4.43Å; I147-L322 HydrophobicContact CG2-CD1 4.07Å; I147-I325 HydrophobicContact CG2-CD1 4.23Å
148	I	98.7	Very high	93.6	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-59.6	-50.3	-179.6	-66.7	178.3	0	0	0	110.9	L123 C125 P144 C145 K150 I151 V152 L171 F173 L221	L123-I148 HydrophobicContact CB-CD1 4.09Å; L123-I148 HydrophobicContact CB-CG1 4.15Å; L123-I148 HydrophobicContact CB-CG2 4.24Å; C125-I148 HydrophobicContact CB-CD1 4.14Å; P144-I148 WeakPolarHBondContact O-CG1 3.13Å; P144-I148 PolarHBondContact O-N 3.43Å; C145-I148 PolarHBondContact O-N 3.33Å; I148-K150 PolarHBondContact O-N 3.05Å; I148-I151 WeakPolarHBondContact O-CB 3.17Å; I148-I151 PolarHBondContact O-N 2.57Å; I148-I151 VanDerWaalsContact O-N 3.16Å; I148-V152 PolarHBondContact O-N 3.18Å; I148-V152 VanDerWaalsContact O-N 3.1Å; I148-L171 HydrophobicContact CG2-CB 4.39Å; I148-L171 HydrophobicContact CG2-CD1 4.34Å; I148-L171 HydrophobicContact CG2-CD2 3.76Å; I148-L171 HydrophobicContact CG2-CG 4.38Å; I148-F173 HydrophobicContact CB-CE1 4.32Å; I148-F173 HydrophobicContact CB-CZ 4.2Å; I148-F173 HydrophobicContact CG2-CE1 4.28Å; I148-F173 HydrophobicContact CG2-CE2 4.45Å; I148-F173 HydrophobicContact CG2-CZ 3.71Å; I148-L221 HydrophobicContact CG1-CD2 4.09Å
149	L	98.4	Very high	92.3	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-60.1	-37.1	176.7	-68.7	-178.2	0	0	0	111.8	I56 I60 F77 I78 Y81 L82 C145 I147 V152 D153 F173	I56-L149 HydrophobicContact CD1-CB 4.48Å; I56-L149 HydrophobicContact CG2-CB 4.01Å; I56-L149 HydrophobicContact CG2-CD1 3.72Å; I60-L149 HydrophobicContact CD1-CD1 3.84Å; F77-L149 HydrophobicContact CD1-CD1 4.49Å; F77-L149 HydrophobicContact CE1-CD1 3.88Å; I78-L149 HydrophobicContact CG1-CD1 4.26Å; I78-L149 HydrophobicContact CG2-CD2 4.37Å; Y81-L149 HydrophobicContact CD1-CB 3.98Å; Y81-L149 HydrophobicContact CD1-CD1 4.25Å; Y81-L149 HydrophobicContact CD1-CD2 3.72Å; Y81-L149 HydrophobicContact CD1-CG 4.2Å; Y81-L149 HydrophobicContact CE1-CB 3.69Å; Y81-L149 HydrophobicContact CE1-CD2 4.26Å; Y81-L149 HydrophobicContact CE1-CG 4.42Å; Y81-L149 WeakPolarHBondContact CE1-O 3.37Å; Y81-L149 HydrophobicContact CG-CD1 4.22Å; Y81-L149 HydrophobicContact CG-CD2 4.31Å; L82-L149 HydrophobicContact CD2-CD2 3.82Å; L82-L149 HydrophobicContact CG-CD2 4.03Å; C145-L149 WeakPolarHBondContact O-CG 3.34Å; C145-L149 PolarHBondContact O-N 2.93Å; I147-L149 PolarHBondContact O-N 3Å; L149-V152 WeakPolarHBondContact O-CB 3.43Å; L149-V152 PolarHBondContact O-N 2.99Å; L149-D153 PolarHBondContact O-N 3.1Å; L149-D153 VanDerWaalsContact O-N 3.16Å; L149-F173 HydrophobicContact CD2-CE1 4.48Å; L149-F173 HydrophobicContact CD2-CE2 4.43Å; L149-F173 HydrophobicContact CD2-CZ 3.74Å; L149-F173 HydrophobicContact CG-CE1 4.39Å; L149-F173 HydrophobicContact CG-CZ 4.07Å
150	K	97.2	Very high	91	Very high	18 Å²	18	20.8 Å²	20.8	8%	0.078	9%	0.093	C	C	.	.	H	α-helix	trans	-70.6	-33.2	178.2	-173.3	60.2	-160.4	169.5	0	113	S52 L53 I56 S146 I147 I148 V152 D153 M154 L322	S52-K150 WeakPolarHBondContact OG-CE 3.4Å; S52-K150 PolarHBondContact OG-NZ 2.8Å; L53-K150 HydrophobicContact CB-CG 4.48Å; L53-K150 HydrophobicContact CD1-CB 3.89Å; L53-K150 HydrophobicContact CD1-CG 4.28Å; I56-K150 HydrophobicContact CD1-CB 3.83Å; I56-K150 HydrophobicContact CD1-CD 3.92Å; I56-K150 HydrophobicContact CD1-CG 4.43Å; S146-K150 VanDerWaalsContact O-CB 3.23Å; S146-K150 WeakPolarHBondContact O-CB 3.48Å; S146-K150 PolarHBondContact O-N 3.18Å; I147-K150 PolarHBondContact O-N 3.35Å; I147-K150 VanDerWaalsContact O-N 3.11Å; I148-K150 PolarHBondContact O-N 3.05Å; K150-V152 VanDerWaalsContact C-N 3.31Å; K150-D153 HydrophobicContact CD-CB 4.13Å; K150-D153 IonicContact NZ-OD2 2.67Å; K150-D153 PolarHBondContact NZ-OD2 2.93Å; K150-D153 WeakPolarHBondContact O-CB 3.15Å; K150-D153 PolarHBondContact O-N 2.82Å; K150-M154 HydrophobicContact CG-SD 4.03Å; K150-M154 WeakPolarHBondContact O-CB 3.41Å; K150-M154 VanDerWaalsContact O-CG 3.25Å; K150-M154 WeakPolarHBondContact O-CG 3.49Å; K150-M154 PolarHBondContact O-N 2.91Å; K150-L322 HydrophobicContact CB-CD1 3.89Å; K150-L322 HydrophobicContact CB-CD2 4.21Å; K150-L322 HydrophobicContact CG-CD1 3.88Å; K150-L322 HydrophobicContact CG-CD2 3.49Å; K150-L322 VanDerWaalsContact CG-CD2 3.49Å; K150-L322 HydrophobicContact CG-CG 4.34Å
151	I	95.9	Very high	89.4	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-61.3	-42.7	170.8	-69.7	167.5	0	0	0	109.8	L123 I147 I148 D153 M154 L155 L322 I325 E326	L123-I151 HydrophobicContact CD1-CD1 3.95Å; L123-I151 HydrophobicContact CD1-CG2 4.1Å; I147-I151 HydrophobicContact CG2-CD1 3.89Å; I147-I151 HydrophobicContact CG2-CG1 4.47Å; I147-I151 WeakPolarHBondContact O-CG1 3.41Å; I147-I151 PolarHBondContact O-N 2.81Å; I148-I151 WeakPolarHBondContact O-CB 3.17Å; I148-I151 PolarHBondContact O-N 2.57Å; I148-I151 VanDerWaalsContact O-N 3.16Å; I151-D153 VanDerWaalsContact C-N 3.35Å; I151-D153 PolarHBondContact O-N 2.83Å; I151-M154 PolarHBondContact O-N 3.42Å; I151-L155 HydrophobicContact CG2-CD1 3.45Å; I151-L155 VanDerWaalsContact CG2-CD1 3.45Å; I151-L155 HydrophobicContact CG2-CG 3.9Å; I151-L155 WeakPolarHBondContact O-CB 3.12Å; I151-L155 VanDerWaalsContact O-CG 3.29Å; I151-L155 WeakPolarHBondContact O-CG 3.44Å; I151-L155 PolarHBondContact O-N 2.89Å; I151-L322 HydrophobicContact CD1-CD1 4.45Å; I151-L322 HydrophobicContact CG1-CD1 3.66Å; I151-I325 HydrophobicContact CD1-CB 4Å; I151-I325 HydrophobicContact CD1-CG2 3.5Å; I151-E326 HydrophobicContact CG1-CB 4.14Å
152	V	94.1	Very high	88	Confident	1 Å²	1	25.8 Å²	25.8	1%	0.006	13%	0.128	C	C	.	.	H	α-helix	trans	-56.1	-49.8	175.7	177.3	0	0	0	0	111.1	L82 R85 W87 I148 L149 K150 M154 L155 N156 L171	L82-V152 HydrophobicContact CD2-CB 4.44Å; L82-V152 HydrophobicContact CD2-CG1 4.17Å; L82-V152 HydrophobicContact CD2-CG2 3.93Å; R85-V152 HydrophobicContact CB-CG1 4.38Å; W87-V152 HydrophobicContact CD2-CG1 4.4Å; W87-V152 HydrophobicContact CG-CG1 4.44Å; W87-V152 HydrophobicContact CZ2-CG1 4.25Å; W87-V152 HydrophobicContact CZ2-CG2 4.38Å; W87-V152 VanDerWaalsContact NE1-CG1 3.35Å; I148-V152 PolarHBondContact O-N 3.18Å; I148-V152 VanDerWaalsContact O-N 3.1Å; L149-V152 WeakPolarHBondContact O-CB 3.43Å; L149-V152 PolarHBondContact O-N 2.99Å; K150-V152 VanDerWaalsContact C-N 3.31Å; V152-M154 VanDerWaalsContact C-N 3.27Å; V152-M154 PolarHBondContact O-N 3.06Å; V152-L155 PolarHBondContact O-N 2.84Å; V152-N156 WeakPolarHBondContact O-CA 3.06Å; V152-N156 WeakPolarHBondContact O-CB 3.31Å; V152-N156 PolarHBondContact O-N 3.4Å; V152-L171 HydrophobicContact CG2-CD1 3.35Å; V152-L171 HydrophobicContact CG2-CD2 4.27Å; V152-L171 HydrophobicContact CG2-CG 4.43Å
153	D	91.2	Very high	86.9	Confident	52 Å²	52	27.4 Å²	27.4	28%	0.278	14%	0.135	S	C	.	.	H	α-helix	trans	-49.9	-48.8	172.4	-111.7	3.5	0	0	0	112.1	Y81 R85 L149 K150 I151	Y81-D153 PolarHBondContact OH-OD1 3.06Å; Y81-D153 PolarHBondContact OH-OD2 2.92Å; R85-D153 IonicContact CZ-OD1 3.84Å; R85-D153 IonicContact NE-OD1 3.78Å; R85-D153 PolarHBondContact NE-OD1 3.41Å; R85-D153 IonicContact NH2-OD1 3.11Å; R85-D153 PolarHBondContact NH2-OD1 3.23Å; R85-D153 IonicContact NH2-OD2 3.9Å; L149-D153 PolarHBondContact O-N 3.1Å; L149-D153 VanDerWaalsContact O-N 3.16Å; K150-D153 HydrophobicContact CD-CB 4.13Å; K150-D153 IonicContact NZ-OD2 2.67Å; K150-D153 PolarHBondContact NZ-OD2 2.93Å; K150-D153 WeakPolarHBondContact O-CB 3.15Å; K150-D153 PolarHBondContact O-N 2.82Å; I151-D153 VanDerWaalsContact C-N 3.35Å; I151-D153 PolarHBondContact O-N 2.83Å
154	M	90.3	Very high	85.7	Confident	9 Å²	9	34.4 Å²	34.4	4%	0.044	17%	0.166	C	C	.	.	H	α-helix	trans	-73.9	-27.8	-172	-72.8	171.6	60.8	0	0	113.3	R47 V49 K150 I151 V152 L322 L323 E326 R330	R47-M154 VanDerWaalsContact NH2-CA 3.3Å; R47-M154 PolarHBondContact NH2-O 3.33Å; V49-M154 HydrophobicContact CG1-CE 4.41Å; V49-M154 HydrophobicContact CG1-SD 4.09Å; K150-M154 HydrophobicContact CG-SD 4.03Å; K150-M154 WeakPolarHBondContact O-CB 3.41Å; K150-M154 VanDerWaalsContact O-CG 3.25Å; K150-M154 WeakPolarHBondContact O-CG 3.49Å; K150-M154 PolarHBondContact O-N 2.91Å; I151-M154 PolarHBondContact O-N 3.42Å; V152-M154 VanDerWaalsContact C-N 3.27Å; V152-M154 PolarHBondContact O-N 3.06Å; M154-L322 HydrophobicContact SD-CD1 4.04Å; M154-L322 HydrophobicContact SD-CD2 4.09Å; M154-L322 HydrophobicContact SD-CG 4.13Å; M154-L323 HydrophobicContact CE-CD2 3.57Å; M154-E326 HydrophobicContact CB-CG 4.13Å; M154-E326 HydrophobicContact CE-CB 4.01Å; M154-E326 HydrophobicContact CE-CG 3.68Å; M154-E326 HydrophobicContact SD-CG 4.49Å; M154-R330 PolarHBondContact O-NH2 3.45Å
155	L	88	Confident	84.9	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-98.8	-15.2	-177.6	-63.2	-174.4	0	0	0	113.9	I151 V152 Y157 G158 I159 L169 E326 V329 R330 I335	I151-L155 HydrophobicContact CG2-CD1 3.45Å; I151-L155 VanDerWaalsContact CG2-CD1 3.45Å; I151-L155 HydrophobicContact CG2-CG 3.9Å; I151-L155 WeakPolarHBondContact O-CB 3.12Å; I151-L155 VanDerWaalsContact O-CG 3.29Å; I151-L155 WeakPolarHBondContact O-CG 3.44Å; I151-L155 PolarHBondContact O-N 2.89Å; V152-L155 PolarHBondContact O-N 2.84Å; L155-Y157 VanDerWaalsContact C-N 3.27Å; L155-Y157 PolarHBondContact O-N 3.23Å; L155-G158 PolarHBondContact O-N 2.76Å; L155-I159 HydrophobicContact CB-CD1 3.66Å; L155-I159 HydrophobicContact CB-CG1 3.96Å; L155-I159 HydrophobicContact CD1-CD1 4.26Å; L155-I159 PolarHBondContact O-N 2.73Å; L155-L169 HydrophobicContact CD1-CD2 4.13Å; L155-E326 HydrophobicContact CD2-CG 3.91Å; L155-E326 HydrophobicContact CG-CG 4.29Å; L155-V329 HydrophobicContact CD1-CB 4.14Å; L155-V329 HydrophobicContact CD1-CG1 3.41Å; L155-V329 VanDerWaalsContact CD1-CG1 3.41Å; L155-R330 HydrophobicContact CD2-CG 3.56Å; L155-R330 VanDerWaalsContact CD2-CZ 3.48Å; L155-I335 HydrophobicContact CD1-CD1 4.46Å; L155-I335 HydrophobicContact CD2-CD1 4.49Å
156	N	79.8	Confident	84.5	Confident	33 Å²	33	39.1 Å²	39.1	18%	0.176	19%	0.192	C	C	.	.	H	α-helix	trans	-54.2	-39.6	-163.8	-157.6	30.1	0	0	0	114.4	R85 W87 V152	R85-N156 PolarHBondContact O-ND2 3.27Å; R85-N156 PolarHBondContact O-OD1 2.76Å; R85-N156 VanDerWaalsContact O-OD1 3.14Å; W87-N156 PolarHBondContact NE1-OD1 2.64Å; V152-N156 WeakPolarHBondContact O-CA 3.06Å; V152-N156 WeakPolarHBondContact O-CB 3.31Å; V152-N156 PolarHBondContact O-N 3.4Å
157	Y	72.3	Confident	84.2	Confident	180 Å²	180	40.3 Å²	40.3	71%	0.706	20%	0.198	S	C	*	.	H	α-helix	trans	-73.6	-45.4	174.9	-174.1	-96.8	0	0	0	112.3	L155 I159 K160 A161	L155-Y157 VanDerWaalsContact C-N 3.27Å; L155-Y157 PolarHBondContact O-N 3.23Å; Y157-I159 PolarHBondContact O-N 3.02Å; Y157-K160 PolarHBondContact O-N 3.16Å; Y157-A161 HydrophobicContact CE1-CB 4.11Å; Y157-A161 PolarHBondContact O-N 2.91Å; Y157-A161 VanDerWaalsContact O-N 3.11Å
158	G	71.1	Confident	83.9	Confident	7 Å²	7	40.3 Å²	40.3	7%	0.072	20%	0.198	C	C	.	.	H	α-helix	trans	-62.9	-39.1	-177.3	0	0	0	0	0	113.4	L155 K160 A161 L162 K163	L155-G158 PolarHBondContact O-N 2.76Å; G158-K160 VanDerWaalsContact C-N 3.27Å; G158-K160 PolarHBondContact O-N 3.26Å; G158-A161 PolarHBondContact O-N 3.37Å; G158-L162 PolarHBondContact O-N 3.26Å; G158-K163 PolarHBondContact O-N 2.91Å
159	I	72.2	Confident	83.8	Confident	10 Å²	10	40.5 Å²	40.5	5%	0.051	20%	0.199	C	C	.	.	H	α-helix	trans	-61.8	-36.9	177.1	-66.1	169.3	0	0	0	110.9	W87 L155 Y157 K163 L169 I335	W87-I159 HydrophobicContact CZ2-CD1 3.9Å; L155-I159 HydrophobicContact CB-CD1 3.66Å; L155-I159 HydrophobicContact CB-CG1 3.96Å; L155-I159 HydrophobicContact CD1-CD1 4.26Å; L155-I159 PolarHBondContact O-N 2.73Å; Y157-I159 PolarHBondContact O-N 3.02Å; I159-K163 HydrophobicContact CG2-CD 4.25Å; I159-K163 WeakPolarHBondContact O-CB 3.15Å; I159-L169 HydrophobicContact CD1-CD2 3.93Å; I159-I335 HydrophobicContact CG1-CD1 3.7Å
160	K	71.2	Confident	83.7	Confident	125 Å²	125	41.3 Å²	41.3	54%	0.543	20%	0.202	S	C	.	.	H	α-helix	trans	-73.8	-44.3	179.5	-71.7	-173.8	-178.4	-178.8	0	112.7	R112 Y157 G158	R112-K160 VanDerWaalsContact NH2-CE 3.27Å; Y157-K160 PolarHBondContact O-N 3.16Å; G158-K160 VanDerWaalsContact C-N 3.27Å; G158-K160 PolarHBondContact O-N 3.26Å
161	A	65.2	Low	83.8	Confident	57 Å²	57	40.4 Å²	40.4	47%	0.471	20%	0.199	S	C	.	.	H	α-helix	trans	-97.3	-28	-163.9	0	0	0	0	0	113.8	Y157 G158	Y157-A161 HydrophobicContact CE1-CB 4.11Å; Y157-A161 PolarHBondContact O-N 2.91Å; Y157-A161 VanDerWaalsContact O-N 3.11Å; G158-A161 PolarHBondContact O-N 3.37Å
162	L	69.3	Low	83.9	Confident	50 Å²	50	40.4 Å²	40.4	26%	0.262	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-135.2	0	-158	-60.5	173.7	0	0	0	114.4	G158 L336 L337	G158-L162 PolarHBondContact O-N 3.26Å; L162-L336 HydrophobicContact CB-CB 4.19Å; L162-L336 WeakPolarHBondContact CB-O 3.08Å; L162-L336 WeakPolarHBondContact CD1-O 3.12Å; L162-L336 PolarHBondContact O-N 2.98Å; L162-L337 VanDerWaalsContact CD1-OXT 3.24Å; L162-L337 WeakPolarHBondContact CD1-OXT 3.36Å
163	K	76.4	Confident	84.1	Confident	33 Å²	33	40.4 Å²	40.4	14%	0.143	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-73.5	127	178	-177.6	171.7	174.6	-82.5	0	110.6	G158 I159 S165 I167 I335	G158-K163 PolarHBondContact O-N 2.91Å; I159-K163 HydrophobicContact CG2-CD 4.25Å; I159-K163 WeakPolarHBondContact O-CB 3.15Å; K163-S165 PolarHBondContact NZ-O 2.95Å; K163-I167 WeakPolarHBondContact CE-O 3.27Å; K163-I167 PolarHBondContact NZ-O 3.22Å; K163-I335 HydrophobicContact CB-CG1 4.2Å; K163-I335 HydrophobicContact CG-CG1 4.25Å
164	K	73.3	Confident	84.5	Confident	148 Å²	148	37.9 Å²	37.9	64%	0.643	19%	0.185	S	C	*	.			trans	-108.5	-10.8	179.2	-68.5	-175.5	175.2	171.9	0	114.6	L336	K164-L336 HydrophobicContact CD-CD1 3.73Å; K164-L336 HydrophobicContact CD-CG 4.46Å; K164-L336 HydrophobicContact CG-CD1 4.43Å
165	S	81.8	Confident	84.9	Confident	15 Å²	15	37.5 Å²	37.5	11%	0.105	18%	0.183	C	C	.	.			trans	-82.9	146.9	179.8	-178.1	0	0	0	0	112	K163 I167 L333	K163-S165 PolarHBondContact NZ-O 2.95Å; S165-I167 WeakPolarHBondContact OG-CB 3.39Å; S165-I167 PolarHBondContact OG-N 2.85Å; S165-L333 VanDerWaalsContact CB-O 3.26Å; S165-L333 WeakPolarHBondContact CB-O 3.32Å
166	D	89.6	Confident	85.4	Confident	84 Å²	84	37.5 Å²	37.5	45%	0.449	18%	0.183	S	C	.	.	S	Bend	trans	-80.8	0.7	167.5	66.7	-30.1	0	0	0	112.5	Y117 T118	Y117-D166 CarbonylContact C-O 3.57Å; Y117-D166 WeakPolarHBondContact CA-O 3.29Å; T118-D166 HydrophobicContact CG2-CB 4.4Å; T118-D166 PolarHBondContact N-O 3.16Å; T118-D166 VanDerWaalsContact OG1-CG 3.31Å; T118-D166 PolarHBondContact OG1-OD2 3.43Å
167	I	93.1	Very high	86.3	Confident	24 Å²	24	36.4 Å²	36.4	12%	0.123	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	116.2	172.3	-58	165.5	0	0	0	108.8	K119 L121 K163 S165 D216 Y332 L333	K119-I167 HydrophobicContact CB-CG1 4.28Å; K119-I167 HydrophobicContact CB-CG2 4.5Å; K119-I167 CarbonylContact O-C 3.52Å; K119-I167 WeakPolarHBondContact O-CA 3.2Å; L121-I167 HydrophobicContact CB-CG2 4.28Å; K163-I167 WeakPolarHBondContact CE-O 3.27Å; K163-I167 PolarHBondContact NZ-O 3.22Å; S165-I167 WeakPolarHBondContact OG-CB 3.39Å; S165-I167 PolarHBondContact OG-N 2.85Å; I167-D216 WeakPolarHBondContact CD1-OD2 3.17Å; I167-D216 HydrophobicContact CG2-CB 4.3Å; I167-Y332 HydrophobicContact CD1-CE1 4.24Å; I167-Y332 HydrophobicContact CG2-CE1 4.44Å; I167-L333 HydrophobicContact CB-CD2 4.11Å; I167-L333 HydrophobicContact CG2-CD2 3.81Å; I167-L333 WeakPolarHBondContact O-CD2 3.3Å
168	G	93.7	Very high	87.6	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	174.6	173.9	0	0	0	0	0	113.6	K119 Y120 L121	K119-G168 PolarHBondContact O-N 3.39Å; Y120-G168 WeakPolarHBondContact CA-O 3.39Å; L121-G168 PolarHBondContact N-O 3.38Å
169	L	95	Very high	88.8	Confident	5 Å²	5	28 Å²	28	3%	0.026	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	128.6	169	-176.9	60.8	0	0	0	108.9	W87 L121 L123 L155 I159 L171 V329 L333	W87-L169 HydrophobicContact CH2-CB 3.95Å; W87-L169 HydrophobicContact CH2-CD2 3.8Å; W87-L169 HydrophobicContact CH2-CG 3.79Å; W87-L169 HydrophobicContact CZ2-CD2 4.28Å; W87-L169 WeakPolarHBondContact CZ3-O 3.46Å; L121-L169 HydrophobicContact CB-CD1 4.36Å; L121-L169 HydrophobicContact CD2-CD1 4.2Å; L121-L169 HydrophobicContact CG-CD1 4.19Å; L121-L169 WeakPolarHBondContact O-CA 3.12Å; L123-L169 HydrophobicContact CD1-CD1 4.5Å; L123-L169 HydrophobicContact CG-CD1 4.12Å; L155-L169 HydrophobicContact CD1-CD2 4.13Å; I159-L169 HydrophobicContact CD1-CD2 3.93Å; L169-L171 HydrophobicContact CG-CD2 4.3Å; L169-V329 HydrophobicContact CD1-CG1 4.29Å; L169-V329 HydrophobicContact CD2-CG1 4.11Å; L169-L333 HydrophobicContact CB-CD1 3.87Å; L169-L333 HydrophobicContact CD1-CD1 4.32Å; L169-L333 HydrophobicContact CD2-CD1 4.4Å; L169-L333 HydrophobicContact CG-CD1 4.42Å
170	K	96.9	Very high	90	Very high	16 Å²	16	28.8 Å²	28.8	7%	0.07	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	155	171.1	-82.1	-172.5	179.9	-158.5	0	109.9	G110 Y120 L121 I122 L123 E211	G110-K170 CarbonylContact O-C 3.37Å; G110-K170 WeakPolarHBondContact O-CA 3.28Å; Y120-K170 HydrophobicContact CD1-CB 4.39Å; Y120-K170 HydrophobicContact CD1-CD 3.83Å; Y120-K170 HydrophobicContact CD1-CG 3.5Å; Y120-K170 HydrophobicContact CD2-CD 4Å; Y120-K170 HydrophobicContact CE1-CD 4.2Å; Y120-K170 HydrophobicContact CE1-CG 3.99Å; Y120-K170 HydrophobicContact CE2-CD 4.38Å; Y120-K170 HydrophobicContact CG-CD 3.71Å; Y120-K170 HydrophobicContact CG-CG 3.82Å; Y120-K170 VanDerWaalsContact CZ-CE 3.48Å; L121-K170 PolarHBondContact O-N 2.73Å; I122-K170 VanDerWaalsContact CA-O 3.3Å; I122-K170 WeakPolarHBondContact CA-O 3.49Å; I122-K170 HydrophobicContact CG1-CB 3.69Å; L123-K170 PolarHBondContact N-O 2.76Å; K170-E211 IonicContact NZ-OE1 3.92Å; K170-E211 PolarHBondContact NZ-OE1 2.77Å
171	L	98.7	Very high	91.2	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	137	178.9	-45.2	173.5	0	0	0	107.7	L82 W87 I109 G110 L123 I148 V152 L169 F173	L82-L171 HydrophobicContact CD1-CD1 4.21Å; L82-L171 HydrophobicContact CD2-CD1 3.48Å; L82-L171 VanDerWaalsContact CD2-CD1 3.48Å; W87-L171 HydrophobicContact CE3-CD1 4.03Å; W87-L171 HydrophobicContact CE3-CG 4.34Å; W87-L171 HydrophobicContact CH2-CD1 4.38Å; W87-L171 HydrophobicContact CH2-CD2 4.47Å; W87-L171 HydrophobicContact CH2-CG 4.31Å; W87-L171 HydrophobicContact CZ3-CD1 3.92Å; W87-L171 HydrophobicContact CZ3-CD2 4.42Å; W87-L171 HydrophobicContact CZ3-CG 3.81Å; I109-L171 CarbonylContact C-O 3.56Å; I109-L171 WeakPolarHBondContact CA-O 3.36Å; G110-L171 PolarHBondContact N-O 2.94Å; G110-L171 PolarHBondContact O-N 3.03Å; L123-L171 HydrophobicContact CB-CD2 4.14Å; L123-L171 HydrophobicContact CD1-CD2 4.37Å; L123-L171 HydrophobicContact CG-CD2 4.49Å; L123-L171 CarbonylContact O-C 3.35Å; L123-L171 VanDerWaalsContact O-CA 3.27Å; L123-L171 WeakPolarHBondContact O-CA 3.29Å; I148-L171 HydrophobicContact CG2-CB 4.39Å; I148-L171 HydrophobicContact CG2-CD1 4.34Å; I148-L171 HydrophobicContact CG2-CD2 3.76Å; I148-L171 HydrophobicContact CG2-CG 4.38Å; V152-L171 HydrophobicContact CG2-CD1 3.35Å; V152-L171 HydrophobicContact CG2-CD2 4.27Å; V152-L171 HydrophobicContact CG2-CG 4.43Å; L169-L171 HydrophobicContact CG-CD2 4.3Å; L171-F173 HydrophobicContact CB-CE2 3.98Å
172	I	98.9	Very high	92.6	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	125.7	172.7	-55.5	176.3	0	0	0	108.8	I108 I122 L123 A124 C125 F174 L195 W199	I108-I172 WeakPolarHBondContact O-CA 3.39Å; I122-I172 HydrophobicContact CD1-CD1 4.08Å; I122-I172 HydrophobicContact CG2-CB 4.37Å; I122-I172 HydrophobicContact CG2-CD1 3.75Å; I122-I172 HydrophobicContact CG2-CG1 3.79Å; L123-I172 PolarHBondContact O-N 3.37Å; A124-I172 WeakPolarHBondContact CA-O 3.21Å; A124-I172 HydrophobicContact CB-CB 4.06Å; C125-I172 PolarHBondContact N-O 3.03Å; I172-F174 HydrophobicContact CB-CE2 4.43Å; I172-F174 HydrophobicContact CB-CZ 4.26Å; I172-F174 HydrophobicContact CD1-CZ 4.25Å; I172-F174 HydrophobicContact CG2-CD1 3.62Å; I172-F174 HydrophobicContact CG2-CD2 4.14Å; I172-F174 HydrophobicContact CG2-CE1 3.46Å; I172-F174 VanDerWaalsContact CG2-CE1 3.46Å; I172-F174 HydrophobicContact CG2-CE2 4Å; I172-F174 HydrophobicContact CG2-CG 3.97Å; I172-F174 HydrophobicContact CG2-CZ 3.65Å; I172-L195 HydrophobicContact CD1-CD2 3.89Å; I172-L195 HydrophobicContact CG2-CD2 3.88Å; I172-W199 HydrophobicContact CD1-CH2 3.53Å; I172-W199 HydrophobicContact CD1-CZ3 3.7Å; I172-W199 HydrophobicContact CG1-CH2 4.24Å
173	F	98.9	Very high	93.9	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	100.5	168	-56.4	-98.1	0	0	0	106.4	I78 L82 N107 I108 C125 Y127 C145 I148 L149 L171	I78-F173 HydrophobicContact CD1-CB 4.44Å; I78-F173 HydrophobicContact CD1-CD1 3.9Å; I78-F173 HydrophobicContact CD1-CE1 4.36Å; I78-F173 HydrophobicContact CD1-CG 4.15Å; I78-F173 HydrophobicContact CG2-CD1 4.4Å; I78-F173 HydrophobicContact CG2-CD2 3.7Å; I78-F173 HydrophobicContact CG2-CE1 4.37Å; I78-F173 HydrophobicContact CG2-CE2 3.69Å; I78-F173 HydrophobicContact CG2-CG 4.08Å; I78-F173 HydrophobicContact CG2-CZ 4.03Å; L82-F173 HydrophobicContact CD1-CE2 4.21Å; N107-F173 WeakPolarHBondContact CA-O 3.06Å; I108-F173 HydrophobicContact CB-CB 4.06Å; I108-F173 HydrophobicContact CB-CD2 4.26Å; I108-F173 HydrophobicContact CD1-CB 4.21Å; I108-F173 HydrophobicContact CG1-CB 4.36Å; I108-F173 PolarHBondContact N-O 3.39Å; I108-F173 PolarHBondContact O-N 3.47Å; C125-F173 CarbonylContact O-C 3.44Å; C125-F173 VanDerWaalsContact O-CA 3.25Å; C125-F173 WeakPolarHBondContact O-CA 3.37Å; Y127-F173 HydrophobicContact CD1-CB 3.93Å; Y127-F173 HydrophobicContact CG-CB 4.41Å; C145-F173 HydrophobicContact CB-CD1 4.3Å; C145-F173 HydrophobicContact CB-CE1 4.12Å; I148-F173 HydrophobicContact CB-CE1 4.32Å; I148-F173 HydrophobicContact CB-CZ 4.2Å; I148-F173 HydrophobicContact CG2-CE1 4.28Å; I148-F173 HydrophobicContact CG2-CE2 4.45Å; I148-F173 HydrophobicContact CG2-CZ 3.71Å; L149-F173 HydrophobicContact CD2-CE1 4.48Å; L149-F173 HydrophobicContact CD2-CE2 4.43Å; L149-F173 HydrophobicContact CD2-CZ 3.74Å; L149-F173 HydrophobicContact CG-CE1 4.39Å; L149-F173 HydrophobicContact CG-CZ 4.07Å; L171-F173 HydrophobicContact CB-CE2 3.98Å
174	F	99	Very high	94.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	148.2	-178.6	-65.9	-69.4	0	0	0	110.9	N107 A124 C125 H126 Y127 I172 L195 L220 D280 F284	N107-F174 WeakPolarHBondContact OD1-CA 3.24Å; A124-F174 HydrophobicContact CB-CD2 4.24Å; A124-F174 HydrophobicContact CB-CE2 3.63Å; A124-F174 HydrophobicContact CB-CZ 4.44Å; C125-F174 PolarHBondContact O-N 3.17Å; H126-F174 CarbonylContact C-O 3.52Å; H126-F174 WeakPolarHBondContact CA-O 3.48Å; H126-F174 HydrophobicContact CB-CB 4.29Å; Y127-F174 WeakPolarHBondContact CD1-O 3.43Å; Y127-F174 PolarHBondContact N-O 3.43Å; I172-F174 HydrophobicContact CB-CE2 4.43Å; I172-F174 HydrophobicContact CB-CZ 4.26Å; I172-F174 HydrophobicContact CD1-CZ 4.25Å; I172-F174 HydrophobicContact CG2-CD1 3.62Å; I172-F174 HydrophobicContact CG2-CD2 4.14Å; I172-F174 HydrophobicContact CG2-CE1 3.46Å; I172-F174 VanDerWaalsContact CG2-CE1 3.46Å; I172-F174 HydrophobicContact CG2-CE2 4Å; I172-F174 HydrophobicContact CG2-CG 3.97Å; I172-F174 HydrophobicContact CG2-CZ 3.65Å; F174-L195 HydrophobicContact CD1-CD2 4.48Å; F174-L195 HydrophobicContact CE1-CB 4.46Å; F174-L195 HydrophobicContact CE1-CD2 3.85Å; F174-L220 HydrophobicContact CE2-CD1 4.44Å; F174-D280 WeakPolarHBondContact CB-OD2 3.15Å; F174-D280 HydrophobicContact CD2-CB 3.59Å; F174-D280 WeakPolarHBondContact CD2-OD2 3.28Å; F174-D280 HydrophobicContact CE2-CB 3.77Å; F174-D280 HydrophobicContact CG-CB 4.22Å; F174-D280 WeakPolarHBondContact CG-OD2 3.42Å; F174-F284 AromaticContact CE1-CE2 3.72Å; F174-F284 HydrophobicContact CE1-CE2 3.72Å; F174-F284 AromaticContact CE1-CZ 3.79Å; F174-F284 HydrophobicContact CE1-CZ 3.79Å; F174-F284 HydrophobicContact CZ-CD2 4.47Å; F174-F284 AromaticContact CZ-CE2 3.44Å; F174-F284 HydrophobicContact CZ-CE2 3.44Å; F174-F284 VanDerWaalsContact CZ-CE2 3.44Å; F174-F284 AromaticContact CZ-CZ 3.68Å; F174-F284 HydrophobicContact CZ-CZ 3.68Å
175	D	98.8	Very high	95.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.183	C	C	.	.	S	Bend	trans	-112.8	131.3	174.1	-163.7	7.3	0	0	0	110.6	H71 F105 H106 N107 Y127 G191	H71-D175 IonicContact CD2-OD1 3.83Å; H71-D175 IonicContact CE1-OD1 2.93Å; H71-D175 PolarHBondContact CE1-OD1 2.83Å; H71-D175 IonicContact CE1-OD2 3.57Å; H71-D175 PolarHBondContact CE1-OD2 3.33Å; H71-D175 IonicContact NE2-OD1 3.74Å; H71-D175 PolarHBondContact NE2-OD1 3.38Å; H71-D175 IonicContact NE2-OD2 3.05Å; H71-D175 PolarHBondContact NE2-OD2 2.76Å; H71-D175 VanDerWaalsContact NE2-OD2 3.12Å; F105-D175 VanDerWaalsContact CA-OD2 3.29Å; F105-D175 WeakPolarHBondContact CA-OD2 3.33Å; F105-D175 HydrophobicContact CB-CB 4.29Å; H106-D175 PolarHBondContact N-OD2 3.14Å; N107-D175 PolarHBondContact OD1-N 3.37Å; Y127-D175 HydrophobicContact CD1-CB 4.49Å; Y127-D175 HydrophobicContact CE1-CB 3.63Å; Y127-D175 PolarHBondContact OH-OD2 2.69Å; D175-G191 WeakPolarHBondContact O-CA 3.36Å; D175-G191 PolarHBondContact O-N 3.21Å
176	G	98.6	Very high	96.4	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.01	21%	0.209	C	C	.	.			trans	69.5	47	178.3	0	0	0	0	0	113	E128 L189 Y190	E128-G176 PolarHBondContact OE2-N 2.84Å; G176-L189 CarbonylContact O-C 3.59Å; G176-L189 PolarHBondContact O-N 2.94Å; G176-Y190 WeakPolarHBondContact O-CB 3.47Å; G176-Y190 WeakPolarHBondContact O-CD2 3.31Å; G176-Y190 PolarHBondContact O-N 3.29Å
177	E	98.8	Very high	96.8	Very high	10 Å²	10	36.7 Å²	36.7	5%	0.047	19%	0.188	C	C	.	.			trans	-58.7	-44.9	159.7	-176.4	-72.6	152.8	0	0	108.9	H126 E128 W183 S188 L189	H126-E177 HydrophobicContact CB-CB 3.44Å; H126-E177 VanDerWaalsContact CB-CB 3.44Å; H126-E177 HydrophobicContact CB-CG 4.08Å; E128-E177 WeakPolarHBondContact OE1-CA 3.37Å; E128-E177 VanDerWaalsContact OE1-CB 3.25Å; E128-E177 WeakPolarHBondContact OE1-CB 3.48Å; E128-E177 PolarHBondContact OE1-N 2.87Å; E177-W183 WeakPolarHBondContact OE1-CH2 3.4Å; E177-W183 WeakPolarHBondContact OE1-CZ3 3.24Å; E177-S188 CarbonylContact O-C 3.55Å; E177-S188 WeakPolarHBondContact O-CA 3.48Å; E177-L189 HydrophobicContact CG-CD2 3.89Å; E177-L189 PolarHBondContact O-N 2.93Å
178	E	98.4	Very high	97	Very high	9 Å²	9	35.7 Å²	35.7	4%	0.042	18%	0.183	C	C	.	.	S	Bend	trans	-71.7	142.3	-169.3	-75.8	-75.6	-147.3	0	0	114.1	E128 K130 H304	E128-E178 PolarHBondContact OE1-N 3.29Å; K130-E178 HydrophobicContact CB-CB 4.39Å; K130-E178 HydrophobicContact CB-CG 3.94Å; K130-E178 WeakPolarHBondContact CB-OE1 3.21Å; K130-E178 WeakPolarHBondContact CD-OE2 3.47Å; K130-E178 HydrophobicContact CG-CB 4.23Å; K130-E178 HydrophobicContact CG-CG 4.17Å; K130-E178 IonicContact NZ-OE2 2.95Å; K130-E178 PolarHBondContact NZ-OE2 3.33Å; E178-H304 IonicContact OE1-CD2 3.76Å; E178-H304 IonicContact OE1-NE2 3.12Å; E178-H304 PolarHBondContact OE1-NE2 3.4Å; E178-H304 IonicContact OE2-CE1 2.7Å; E178-H304 IonicContact OE2-NE2 3.08Å
179	A	97.8	Very high	97.3	Very high	2 Å²	2	36.3 Å²	36.3	2%	0.017	19%	0.186	C	C	.	.			trans	-64.8	137.7	166.5	0	0	0	0	0	111.4	K130 W183 D187	K130-A179 PolarHBondContact NZ-O 2.98Å; A179-W183 HydrophobicContact CB-CB 4.29Å; A179-W183 HydrophobicContact CB-CE3 4.31Å; A179-D187 WeakPolarHBondContact CA-O 3.46Å; A179-D187 WeakPolarHBondContact CB-O 3.32Å
180	F	97.6	Very high	97.4	Very high	25 Å²	25	36.1 Å²	36.1	11%	0.11	19%	0.185	C	C	.	.	S	Bend	trans	-75.7	-28.1	173.2	-73.1	-87.7	0	0	0	112.5	V66 T98 V99 V100 K103 F105 L131 D187 Y190	V66-F180 HydrophobicContact CB-CE1 4.23Å; V66-F180 HydrophobicContact CB-CZ 4.01Å; V66-F180 HydrophobicContact CG1-CZ 4.37Å; V66-F180 HydrophobicContact CG2-CZ 4.05Å; T98-F180 HydrophobicContact CG2-CD2 3.94Å; T98-F180 HydrophobicContact CG2-CE2 3.59Å; T98-F180 HydrophobicContact CG2-CZ 4.15Å; V99-F180 HydrophobicContact CG2-CB 3.79Å; V100-F180 HydrophobicContact CG1-CB 4.35Å; V100-F180 HydrophobicContact CG2-CB 4.07Å; V100-F180 HydrophobicContact CG2-CD1 3.53Å; V100-F180 HydrophobicContact CG2-CE1 4.17Å; V100-F180 HydrophobicContact CG2-CG 3.87Å; K103-F180 HydrophobicContact CB-CZ 4.43Å; K103-F180 HydrophobicContact CD-CE1 4.5Å; K103-F180 HydrophobicContact CG-CE1 4.12Å; K103-F180 HydrophobicContact CG-CZ 3.86Å; F105-F180 AromaticContact CE1-CE2 3.89Å; F105-F180 HydrophobicContact CE1-CE2 3.89Å; F105-F180 AromaticContact CE1-CZ 3.85Å; F105-F180 HydrophobicContact CE1-CZ 3.85Å; F105-F180 AromaticContact CZ-CE2 3.71Å; F105-F180 HydrophobicContact CZ-CE2 3.71Å; F105-F180 AromaticContact CZ-CZ 3.88Å; F105-F180 HydrophobicContact CZ-CZ 3.88Å; L131-F180 HydrophobicContact CD2-CD1 4.1Å; F180-D187 PolarHBondContact N-OD1 3.05Å; F180-D187 PolarHBondContact N-OD2 3.08Å; F180-Y190 HydrophobicContact CD2-CD2 4.48Å; F180-Y190 AromaticContact CD2-CE2 3.58Å; F180-Y190 HydrophobicContact CD2-CE2 3.58Å; F180-Y190 AromaticContact CD2-CZ 3.76Å; F180-Y190 HydrophobicContact CE2-CD2 4.03Å; F180-Y190 AromaticContact CE2-CE2 3.53Å; F180-Y190 HydrophobicContact CE2-CE2 3.53Å; F180-Y190 AromaticContact CE2-CZ 3.82Å
181	N	95.1	Very high	97.5	Very high	129 Å²	129	35.4 Å²	35.4	69%	0.69	18%	0.182	S	C	*	.	S	Bend	trans	-131.2	-72.8	176	-176.8	31.7	0	0	0	111.9	V99 D187	V99-N181 HydrophobicContact CG2-CB 3.76Å; N181-D187 PolarHBondContact N-OD2 2.86Å
182	Q	94.8	Very high	97.5	Very high	142 Å²	142	35.4 Å²	35.4	66%	0.664	18%	0.182	S	C	*	.	S	Bend	trans	-130.7	129.6	-178.2	-177.8	176.4	2.9	0	0	108.8	T184 D187	Q182-T184 PolarHBondContact O-N 3.38Å; Q182-T184 VanDerWaalsContact O-N 3.1Å; Q182-D187 PolarHBondContact N-OD2 2.85Å
183	W	96.8	Very high	97.5	Very high	99 Å²	99	38.5 Å²	38.5	38%	0.375	19%	0.194	S	C	.	.			trans	-54.8	117.5	177.7	-172.3	-81.2	0	0	0	111.3	E177 A179 S188 L189	E177-W183 WeakPolarHBondContact OE1-CH2 3.4Å; E177-W183 WeakPolarHBondContact OE1-CZ3 3.24Å; A179-W183 HydrophobicContact CB-CB 4.29Å; A179-W183 HydrophobicContact CB-CE3 4.31Å; W183-S188 VanDerWaalsContact CE3-CB 3.49Å; W183-S188 VanDerWaalsContact CZ3-CB 3.49Å; W183-L189 HydrophobicContact CH2-CD1 4.43Å; W183-L189 HydrophobicContact CH2-CD2 3.53Å; W183-L189 HydrophobicContact CH2-CG 3.81Å; W183-L189 HydrophobicContact CZ2-CD1 4.14Å; W183-L189 HydrophobicContact CZ2-CD2 4.08Å; W183-L189 HydrophobicContact CZ2-CG 3.92Å; W183-L189 HydrophobicContact CZ3-CD2 4.47Å
184	T	96.1	Very high	97.5	Very high	55 Å²	55	41.1 Å²	41.1	34%	0.337	21%	0.206	S	C	.	.	B	Isolated β-bridge	trans	-147.8	164.1	174.6	61.9	0	0	0	0	108.4	Q182 T186 D187 S188	Q182-T184 PolarHBondContact O-N 3.38Å; Q182-T184 VanDerWaalsContact O-N 3.1Å; T184-T186 PolarHBondContact O-N 3.33Å; T184-T186 PolarHBondContact OG1-OG1 2.89Å; T184-D187 CarbonylContact O-C 3.47Å; T184-D187 PolarHBondContact O-N 3.08Å; T184-D187 WeakPolarHBondContact OG1-CB 3.38Å; T184-D187 PolarHBondContact OG1-N 2.95Å; T184-D187 VanDerWaalsContact OG1-N 3.07Å; T184-S188 PolarHBondContact O-N 3.31Å; T184-S188 PolarHBondContact O-OG 2.92Å
185	D	92.6	Very high	97.5	Very high	147 Å²	147	41.1 Å²	41.1	79%	0.786	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-19.3	178.8	-57.2	-15.8	0	0	0	114.2
186	T	95.3	Very high	97.5	Very high	104 Å²	104	41.1 Å²	41.1	64%	0.638	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.2	-14.2	177.9	57.1	0	0	0	0	114.3	T184	T184-T186 PolarHBondContact O-N 3.33Å; T184-T186 PolarHBondContact OG1-OG1 2.89Å
187	D	97.9	Very high	97.5	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.016	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-121.2	58.3	177	-172.7	32	0	0	0	109.8	V99 A179 F180 N181 Q182 T184 Y190	V99-D187 HydrophobicContact CG1-CB 4.4Å; A179-D187 WeakPolarHBondContact CA-O 3.46Å; A179-D187 WeakPolarHBondContact CB-O 3.32Å; F180-D187 PolarHBondContact N-OD1 3.05Å; F180-D187 PolarHBondContact N-OD2 3.08Å; N181-D187 PolarHBondContact N-OD2 2.86Å; Q182-D187 PolarHBondContact N-OD2 2.85Å; T184-D187 CarbonylContact O-C 3.47Å; T184-D187 PolarHBondContact O-N 3.08Å; T184-D187 WeakPolarHBondContact OG1-CB 3.38Å; T184-D187 PolarHBondContact OG1-N 2.95Å; T184-D187 VanDerWaalsContact OG1-N 3.07Å; D187-Y190 WeakPolarHBondContact CA-OH 3.47Å; D187-Y190 PolarHBondContact OD1-OH 2.95Å
188	S	98.2	Very high	97.4	Very high	3 Å²	3	51.9 Å²	51.9	2%	0.021	25%	0.252	C	S	.	.	S	Bend	trans	-173.4	169.8	169.2	62.3	0	0	0	0	109.8	E177 W183 T184 Y190 R193	E177-S188 CarbonylContact O-C 3.55Å; E177-S188 WeakPolarHBondContact O-CA 3.48Å; W183-S188 VanDerWaalsContact CE3-CB 3.49Å; W183-S188 VanDerWaalsContact CZ3-CB 3.49Å; T184-S188 PolarHBondContact O-N 3.31Å; T184-S188 PolarHBondContact O-OG 2.92Å; S188-Y190 PolarHBondContact O-N 3.08Å; S188-R193 PolarHBondContact O-NE 3.33Å; S188-R193 PolarHBondContact O-NH2 3.45Å
189	L	98.5	Very high	97.3	Very high	13 Å²	13	52.2 Å²	52.2	7%	0.068	25%	0.253	C	S	.	.			trans	54.5	33.3	167.1	-54.5	-171.7	0	0	0	113.5	G176 E177 W183 G191 S192 R193 D279 M282 P283	G176-L189 CarbonylContact O-C 3.59Å; G176-L189 PolarHBondContact O-N 2.94Å; E177-L189 HydrophobicContact CG-CD2 3.89Å; E177-L189 PolarHBondContact O-N 2.93Å; W183-L189 HydrophobicContact CH2-CD1 4.43Å; W183-L189 HydrophobicContact CH2-CD2 3.53Å; W183-L189 HydrophobicContact CH2-CG 3.81Å; W183-L189 HydrophobicContact CZ2-CD1 4.14Å; W183-L189 HydrophobicContact CZ2-CD2 4.08Å; W183-L189 HydrophobicContact CZ2-CG 3.92Å; W183-L189 HydrophobicContact CZ3-CD2 4.47Å; L189-G191 PolarHBondContact O-N 2.77Å; L189-S192 WeakPolarHBondContact CB-OG 3.41Å; L189-S192 PolarHBondContact O-OG 3.4Å; L189-R193 HydrophobicContact CB-CG 4.01Å; L189-R193 WeakPolarHBondContact O-CB 3.37Å; L189-R193 WeakPolarHBondContact O-CG 3.45Å; L189-R193 PolarHBondContact O-N 2.9Å; L189-R193 PolarHBondContact O-NE 2.94Å; L189-D279 WeakPolarHBondContact CD1-O 3.39Å; L189-D279 VanDerWaalsContact CD2-C 3.47Å; L189-M282 HydrophobicContact CD1-CB 4.42Å; L189-P283 HydrophobicContact CD1-CG 4.4Å
190	Y	98.7	Very high	97.2	Very high	1 Å²	1	55.7 Å²	55.7	0%	0.004	27%	0.271	C	S	.	.	H	α-helix	trans	-56.9	-54.1	-175.3	-66.8	-91.9	0	0	0	110.1	F94 E96 T98 F105 G176 F180 D187 S188 H194	F94-Y190 WeakPolarHBondContact CZ-O 3.49Å; E96-Y190 HydrophobicContact CB-CD1 4.36Å; E96-Y190 HydrophobicContact CG-CD1 4.15Å; E96-Y190 HydrophobicContact CG-CE1 4.42Å; T98-Y190 HydrophobicContact CG2-CD1 4.49Å; T98-Y190 HydrophobicContact CG2-CE1 3.76Å; F105-Y190 HydrophobicContact CE1-CD1 4.39Å; F105-Y190 HydrophobicContact CE1-CD2 4.08Å; F105-Y190 AromaticContact CE1-CG 3.82Å; F105-Y190 HydrophobicContact CE1-CG 3.82Å; F105-Y190 AromaticContact CE2-CD1 3.93Å; F105-Y190 HydrophobicContact CE2-CD1 3.93Å; F105-Y190 HydrophobicContact CE2-CG 4.13Å; F105-Y190 AromaticContact CZ-CD1 3.65Å; F105-Y190 HydrophobicContact CZ-CD1 3.65Å; F105-Y190 HydrophobicContact CZ-CD2 4.02Å; F105-Y190 HydrophobicContact CZ-CE1 4.19Å; F105-Y190 AromaticContact CZ-CG 3.55Å; F105-Y190 HydrophobicContact CZ-CG 3.55Å; G176-Y190 WeakPolarHBondContact O-CB 3.47Å; G176-Y190 WeakPolarHBondContact O-CD2 3.31Å; G176-Y190 PolarHBondContact O-N 3.29Å; F180-Y190 HydrophobicContact CD2-CD2 4.48Å; F180-Y190 AromaticContact CD2-CE2 3.58Å; F180-Y190 HydrophobicContact CD2-CE2 3.58Å; F180-Y190 AromaticContact CD2-CZ 3.76Å; F180-Y190 HydrophobicContact CE2-CD2 4.03Å; F180-Y190 AromaticContact CE2-CE2 3.53Å; F180-Y190 HydrophobicContact CE2-CE2 3.53Å; F180-Y190 AromaticContact CE2-CZ 3.82Å; D187-Y190 WeakPolarHBondContact CA-OH 3.47Å; D187-Y190 PolarHBondContact OD1-OH 2.95Å; S188-Y190 PolarHBondContact O-N 3.08Å; Y190-H194 WeakPolarHBondContact O-CB 3.22Å; Y190-H194 PolarHBondContact O-N 2.87Å; Y190-H194 VanDerWaalsContact O-N 3.08Å
191	G	98.8	Very high	97	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-61.1	-51.8	-179.6	0	0	0	0	0	113.8	N107 D175 L189 H194 L195	N107-G191 PolarHBondContact ND2-O 3.16Å; N107-G191 WeakPolarHBondContact OD1-CA 3.15Å; D175-G191 WeakPolarHBondContact O-CA 3.36Å; D175-G191 PolarHBondContact O-N 3.21Å; L189-G191 PolarHBondContact O-N 2.77Å; G191-H194 PolarHBondContact O-N 2.94Å; G191-L195 WeakPolarHBondContact O-CB 3.34Å; G191-L195 PolarHBondContact O-N 2.93Å
192	S	98.8	Very high	96.6	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-69.2	-40.1	-178	51.9	0	0	0	0	113.1	L189 H194 L195 A196 D280	L189-S192 WeakPolarHBondContact CB-OG 3.41Å; L189-S192 PolarHBondContact O-OG 3.4Å; S192-H194 VanDerWaalsContact C-N 3.34Å; S192-H194 PolarHBondContact O-N 2.98Å; S192-L195 PolarHBondContact O-N 2.9Å; S192-A196 WeakPolarHBondContact O-CB 3.44Å; S192-A196 PolarHBondContact O-N 2.86Å; S192-D280 VanDerWaalsContact CB-O 3.31Å; S192-D280 WeakPolarHBondContact CB-O 3.3Å; S192-D280 WeakPolarHBondContact CB-OD1 3.28Å; S192-D280 PolarHBondContact OG-OD1 3.36Å
193	R	98.5	Very high	95.9	Very high	66 Å²	66	52.8 Å²	52.8	25%	0.249	27%	0.274	C	S	.	.	H	α-helix	trans	-58.3	-46.9	172.5	-75.2	-174.8	-65.6	112.2	-4.3	110.8	E96 S188 L189 K197 P283	E96-R193 IonicContact OE1-CZ 3.12Å; E96-R193 IonicContact OE1-NH1 2.67Å; E96-R193 PolarHBondContact OE1-NH1 2.68Å; E96-R193 IonicContact OE1-NH2 3.83Å; E96-R193 PolarHBondContact OE1-NH2 2.92Å; E96-R193 VanDerWaalsContact OE1-NH2 3.17Å; S188-R193 PolarHBondContact O-NE 3.33Å; S188-R193 PolarHBondContact O-NH2 3.45Å; L189-R193 HydrophobicContact CB-CG 4.01Å; L189-R193 WeakPolarHBondContact O-CB 3.37Å; L189-R193 WeakPolarHBondContact O-CG 3.45Å; L189-R193 PolarHBondContact O-N 2.9Å; L189-R193 PolarHBondContact O-NE 2.94Å; R193-K197 WeakPolarHBondContact O-CB 3.37Å; R193-K197 PolarHBondContact O-N 2.92Å; R193-P283 HydrophobicContact CB-CG 4.38Å; R193-P283 HydrophobicContact CG-CB 4.41Å; R193-P283 HydrophobicContact CG-CG 3.71Å
194	H	98.7	Very high	94.7	Very high	54 Å²	54	51.6 Å²	51.6	25%	0.25	27%	0.272	C	S	.	.	H	α-helix	trans	-62	-52.1	178.5	-179.6	-91.3	0	0	0	111.6	D92 F94 Y190 G191 S192 K197 K198	D92-H194 IonicContact OD1-CE1 3.4Å; D92-H194 PolarHBondContact OD1-CE1 2.93Å; D92-H194 VanDerWaalsContact OD1-CE1 3.23Å; D92-H194 IonicContact OD1-ND1 2.76Å; D92-H194 PolarHBondContact OD1-ND1 3.07Å; D92-H194 IonicContact OD2-CE1 3.82Å; D92-H194 PolarHBondContact OD2-CE1 2.81Å; D92-H194 IonicContact OD2-CG 3.49Å; D92-H194 IonicContact OD2-ND1 3.23Å; D92-H194 PolarHBondContact OD2-ND1 2.79Å; F94-H194 HydrophobicContact CD1-CB 4Å; F94-H194 AromaticContact CD1-CD2 3.83Å; F94-H194 AromaticContact CD1-CE1 3.63Å; F94-H194 AromaticContact CD1-CG 3.44Å; F94-H194 VanDerWaalsContact CD1-CG 3.44Å; F94-H194 AromaticContact CD1-ND1 3.32Å; F94-H194 VanDerWaalsContact CD1-ND1 3.32Å; F94-H194 WeakPolarHBondContact CD1-ND1 3.12Å; F94-H194 AromaticContact CD1-NE2 3.99Å; F94-H194 HydrophobicContact CD2-CB 4.15Å; F94-H194 AromaticContact CD2-CD2 3.65Å; F94-H194 AromaticContact CD2-CG 3.84Å; F94-H194 HydrophobicContact CE1-CB 3.58Å; F94-H194 AromaticContact CE1-CG 3.58Å; F94-H194 AromaticContact CE1-ND1 3.68Å; F94-H194 HydrophobicContact CE2-CB 3.75Å; F94-H194 AromaticContact CE2-CG 3.96Å; F94-H194 HydrophobicContact CG-CB 4.27Å; F94-H194 AromaticContact CG-CD2 3.48Å; F94-H194 VanDerWaalsContact CG-CD2 3.48Å; F94-H194 WeakPolarHBondContact CG-CD2 3.4Å; F94-H194 AromaticContact CG-CE1 3.79Å; F94-H194 AromaticContact CG-CG 3.59Å; F94-H194 AromaticContact CG-ND1 3.79Å; F94-H194 AromaticContact CG-NE2 3.66Å; F94-H194 HydrophobicContact CZ-CB 3.45Å; F94-H194 VanDerWaalsContact CZ-CB 3.45Å; F94-H194 AromaticContact CZ-CG 3.84Å; Y190-H194 WeakPolarHBondContact O-CB 3.22Å; Y190-H194 PolarHBondContact O-N 2.87Å; Y190-H194 VanDerWaalsContact O-N 3.08Å; G191-H194 PolarHBondContact O-N 2.94Å; S192-H194 VanDerWaalsContact C-N 3.34Å; S192-H194 PolarHBondContact O-N 2.98Å; H194-K197 PolarHBondContact O-N 2.87Å; H194-K198 WeakPolarHBondContact O-CB 3.35Å; H194-K198 PolarHBondContact O-N 2.86Å
195	L	98.6	Very high	93.1	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-65.5	-44.8	-175	-170.8	61.7	0	0	0	112	D92 I109 I172 F174 G191 S192 K197 K198 W199 F284	D92-L195 HydrophobicContact CB-CD1 4.07Å; D92-L195 WeakPolarHBondContact OD2-CD1 3.21Å; I109-L195 HydrophobicContact CD1-CD1 3.94Å; I109-L195 HydrophobicContact CD1-CD2 4.45Å; I109-L195 HydrophobicContact CG1-CD2 4.41Å; I172-L195 HydrophobicContact CD1-CD2 3.89Å; I172-L195 HydrophobicContact CG2-CD2 3.88Å; F174-L195 HydrophobicContact CD1-CD2 4.48Å; F174-L195 HydrophobicContact CE1-CB 4.46Å; F174-L195 HydrophobicContact CE1-CD2 3.85Å; G191-L195 WeakPolarHBondContact O-CB 3.34Å; G191-L195 PolarHBondContact O-N 2.93Å; S192-L195 PolarHBondContact O-N 2.9Å; L195-K197 VanDerWaalsContact C-N 3.3Å; L195-K197 PolarHBondContact O-N 3.47Å; L195-K198 PolarHBondContact O-N 2.89Å; L195-W199 HydrophobicContact CD1-CD2 4.1Å; L195-W199 HydrophobicContact CD1-CG 4.22Å; L195-W199 HydrophobicContact CD1-CZ2 4.16Å; L195-W199 HydrophobicContact CD2-CH2 4.39Å; L195-W199 HydrophobicContact CD2-CZ2 4.27Å; L195-W199 HydrophobicContact CG-CD2 4.13Å; L195-W199 HydrophobicContact CG-CG 4.45Å; L195-W199 HydrophobicContact CG-CZ2 4.45Å; L195-W199 WeakPolarHBondContact O-CB 3.34Å; L195-W199 PolarHBondContact O-N 2.93Å; L195-F284 HydrophobicContact CB-CZ 4.5Å; L195-F284 HydrophobicContact CD2-CZ 4.47Å
196	A	98.5	Very high	91.8	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-60.8	-39.4	177.5	0	0	0	0	0	111.7	S192 N200 P283 F284 K287	S192-A196 WeakPolarHBondContact O-CB 3.44Å; S192-A196 PolarHBondContact O-N 2.86Å; A196-N200 VanDerWaalsContact O-CB 3.25Å; A196-N200 WeakPolarHBondContact O-CB 3.41Å; A196-N200 PolarHBondContact O-N 3.37Å; A196-N200 VanDerWaalsContact O-N 3.13Å; A196-P283 HydrophobicContact CB-CB 3.68Å; A196-F284 HydrophobicContact CB-CD1 4.1Å; A196-F284 HydrophobicContact CB-CD2 4.08Å; A196-F284 HydrophobicContact CB-CE1 4.01Å; A196-F284 HydrophobicContact CB-CE2 3.98Å; A196-F284 HydrophobicContact CB-CG 4.14Å; A196-F284 HydrophobicContact CB-CZ 3.94Å; A196-K287 HydrophobicContact CB-CD 4.31Å
197	K	97.8	Very high	90.6	Very high	153 Å²	153	55.1 Å²	55.1	67%	0.665	29%	0.287	S	S	*	.	H	α-helix	trans	-65.8	-48.4	174.3	-177.9	-179.1	177.7	-177.6	0	111.5	R193 H194 L195 N200 S201	R193-K197 WeakPolarHBondContact O-CB 3.37Å; R193-K197 PolarHBondContact O-N 2.92Å; H194-K197 PolarHBondContact O-N 2.87Å; L195-K197 VanDerWaalsContact C-N 3.3Å; L195-K197 PolarHBondContact O-N 3.47Å; K197-N200 PolarHBondContact O-N 3.14Å; K197-S201 PolarHBondContact O-N 3.36Å; K197-S201 PolarHBondContact O-OG 3.16Å
198	K	97.8	Very high	89.7	Confident	84 Å²	84	63 Å²	63	37%	0.365	33%	0.329	S	S	.	.	H	α-helix	trans	-58.2	-52.1	179.4	176.6	175.6	172.1	175.4	0	111.3	D92 H194 L195 N200 S201 T202	D92-K198 WeakPolarHBondContact OD1-CD 3.48Å; D92-K198 WeakPolarHBondContact OD1-CE 3.49Å; D92-K198 IonicContact OD1-NZ 3.96Å; D92-K198 PolarHBondContact OD1-NZ 3Å; H194-K198 WeakPolarHBondContact O-CB 3.35Å; H194-K198 PolarHBondContact O-N 2.86Å; L195-K198 PolarHBondContact O-N 2.89Å; K198-N200 VanDerWaalsContact C-N 3.3Å; K198-N200 PolarHBondContact O-N 3.35Å; K198-S201 PolarHBondContact O-N 3.07Å; K198-S201 VanDerWaalsContact O-N 3.08Å; K198-S201 PolarHBondContact O-OG 3.1Å; K198-T202 PolarHBondContact O-N 3.31Å; K198-T202 PolarHBondContact O-OG1 3.22Å
199	W	97.2	Very high	89.1	Confident	16 Å²	16	67 Å²	67	6%	0.061	35%	0.347	C	S	.	.	H	α-helix	trans	-66.8	-29.1	-178.8	-79.2	5.9	0	0	0	113.6	I109 I122 I172 L195 S201 T210 E211 L212 I215 F284	I109-W199 HydrophobicContact CD1-CZ2 3.93Å; I109-W199 HydrophobicContact CG1-CZ2 4.26Å; I109-W199 HydrophobicContact CG2-CH2 4.48Å; I109-W199 HydrophobicContact CG2-CZ2 4.14Å; I122-W199 HydrophobicContact CD1-CH2 4.32Å; I122-W199 HydrophobicContact CD1-CZ3 3.83Å; I172-W199 HydrophobicContact CD1-CH2 3.53Å; I172-W199 HydrophobicContact CD1-CZ3 3.7Å; I172-W199 HydrophobicContact CG1-CH2 4.24Å; L195-W199 HydrophobicContact CD1-CD2 4.1Å; L195-W199 HydrophobicContact CD1-CG 4.22Å; L195-W199 HydrophobicContact CD1-CZ2 4.16Å; L195-W199 HydrophobicContact CD2-CH2 4.39Å; L195-W199 HydrophobicContact CD2-CZ2 4.27Å; L195-W199 HydrophobicContact CG-CD2 4.13Å; L195-W199 HydrophobicContact CG-CG 4.45Å; L195-W199 HydrophobicContact CG-CZ2 4.45Å; L195-W199 WeakPolarHBondContact O-CB 3.34Å; L195-W199 PolarHBondContact O-N 2.93Å; W199-S201 VanDerWaalsContact C-N 3.3Å; W199-T210 WeakPolarHBondContact O-CB 3.33Å; W199-E211 HydrophobicContact CB-CB 3.94Å; W199-E211 HydrophobicContact CB-CG 4.21Å; W199-E211 HydrophobicContact CD2-CB 4.31Å; W199-E211 HydrophobicContact CD2-CG 3.59Å; W199-E211 HydrophobicContact CE3-CG 4.18Å; W199-E211 HydrophobicContact CG-CB 3.84Å; W199-E211 HydrophobicContact CG-CG 3.6Å; W199-E211 HydrophobicContact CZ2-CG 4.37Å; W199-E211 PolarHBondContact O-N 3.33Å; W199-L212 HydrophobicContact CB-CB 4.12Å; W199-L212 PolarHBondContact O-N 3.27Å; W199-L212 VanDerWaalsContact O-N 3.09Å; W199-I215 HydrophobicContact CE3-CD1 3.95Å; W199-I215 HydrophobicContact CZ3-CD1 3.95Å; W199-I215 HydrophobicContact CZ3-CG1 4.36Å; W199-F284 HydrophobicContact CE3-CE1 4.33Å
200	N	95.6	Very high	88.8	Confident	75 Å²	75	67.4 Å²	67.4	40%	0.401	35%	0.35	S	S	.	.	H	α-helix	trans	-71.8	-24.8	173	-168.1	53.4	0	0	0	113	A196 K197 K198 T210 L212 K287	A196-N200 VanDerWaalsContact O-CB 3.25Å; A196-N200 WeakPolarHBondContact O-CB 3.41Å; A196-N200 PolarHBondContact O-N 3.37Å; A196-N200 VanDerWaalsContact O-N 3.13Å; K197-N200 PolarHBondContact O-N 3.14Å; K198-N200 VanDerWaalsContact C-N 3.3Å; K198-N200 PolarHBondContact O-N 3.35Å; N200-T210 WeakPolarHBondContact O-CG2 3.45Å; N200-L212 HydrophobicContact CB-CB 4.31Å; N200-L212 HydrophobicContact CB-CD2 4.22Å; N200-K287 HydrophobicContact CB-CD 3.94Å
201	S	92.8	Very high	88.6	Confident	88 Å²	88	68.3 Å²	68.3	62%	0.615	35%	0.354	S	S	*	.	H	α-helix	trans	-95.7	-13.8	178.4	66.7	0	0	0	0	114.4	K197 K198 W199 T203	K197-S201 PolarHBondContact O-N 3.36Å; K197-S201 PolarHBondContact O-OG 3.16Å; K198-S201 PolarHBondContact O-N 3.07Å; K198-S201 VanDerWaalsContact O-N 3.08Å; K198-S201 PolarHBondContact O-OG 3.1Å; W199-S201 VanDerWaalsContact C-N 3.3Å; S201-T203 PolarHBondContact O-N 3.48Å
202	T	86.9	Confident	88.4	Confident	62 Å²	62	68.8 Å²	68.8	38%	0.38	36%	0.357	S	S	.	.			trans	-87.5	98.1	-176.6	-57	0	0	0	0	109.6	K198 T210 E211	K198-T202 PolarHBondContact O-N 3.31Å; K198-T202 PolarHBondContact O-OG1 3.22Å; T202-T210 CarbonylContact O-C 3.55Å; T202-T210 VanDerWaalsContact O-CA 3.29Å; T202-T210 WeakPolarHBondContact O-CA 3.41Å; T202-E211 PolarHBondContact O-N 3.01Å
203	T	78.7	Confident	88.2	Confident	85 Å²	85	70.7 Å²	70.7	52%	0.521	37%	0.37	S	S	.	.	B	Isolated β-bridge	trans	-91	140.7	178.1	55.7	0	0	0	0	112	S201 T210	S201-T203 PolarHBondContact O-N 3.48Å; T203-T210 HydrophobicContact CG2-CG2 4.18Å
204	F	71.6	Confident	88	Confident	74 Å²	74	69 Å²	69	33%	0.325	37%	0.365	S	S	.	.			trans	-76.7	129.1	168.9	-71.5	-82.8	0	0	0	110.2	S206 S207 E209 E211 K214	F204-S206 PolarHBondContact O-N 3.16Å; F204-S207 PolarHBondContact O-N 3.35Å; F204-E209 PolarHBondContact N-O 3.4Å; F204-E209 VanDerWaalsContact N-O 3.16Å; F204-E211 HydrophobicContact CE2-CB 4.48Å; F204-E211 WeakPolarHBondContact CE2-OE2 3.09Å; F204-E211 WeakPolarHBondContact CZ-OE2 3.35Å; F204-K214 HydrophobicContact CE2-CD 3.84Å; F204-K214 HydrophobicContact CZ-CD 4.36Å
205	K	62.4	Low	87.9	Confident	222 Å²	222	67.1 Å²	67.1	97%	0.965	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-20	-171.1	-68.9	-176.7	179.1	178.4	0	115.7
206	S	67.3	Low	87.8	Confident	120 Å²	120	69.5 Å²	69.5	84%	0.839	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-8.6	-177.1	52.9	0	0	0	0	114.9	F204	F204-S206 PolarHBondContact O-N 3.16Å
207	S	69.5	Low	87.8	Confident	39 Å²	39	69.6 Å²	69.6	27%	0.273	37%	0.369	S	S	.	.	S	Bend	trans	-144.3	150.2	179.8	58.3	0	0	0	0	110.8	F204 E209	F204-S207 PolarHBondContact O-N 3.35Å; S207-E209 PolarHBondContact O-N 3.23Å; S207-E209 WeakPolarHBondContact OG-CB 3.43Å; S207-E209 PolarHBondContact OG-OE2 3.04Å
208	N	77.7	Confident	87.8	Confident	168 Å²	168	62.3 Å²	62.3	90%	0.898	34%	0.338	S	S	*	.	S	Bend	trans	-70.5	14.5	170	-71.8	-20.7	0	0	0	112.5
209	E	86.7	Confident	87.9	Confident	86 Å²	86	58.3 Å²	58.3	40%	0.402	32%	0.32	S	S	.	.			trans	-81.3	131.7	178	-64.6	-179.4	147.4	0	0	109.9	F204 S207 S213	F204-E209 PolarHBondContact N-O 3.4Å; F204-E209 VanDerWaalsContact N-O 3.16Å; S207-E209 PolarHBondContact O-N 3.23Å; S207-E209 WeakPolarHBondContact OG-CB 3.43Å; S207-E209 PolarHBondContact OG-OE2 3.04Å; E209-S213 WeakPolarHBondContact CB-OG 3.45Å
210	T	93.1	Very high	87.9	Confident	22 Å²	22	57.5 Å²	57.5	14%	0.135	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-92.1	159.6	174.5	65.4	0	0	0	0	109.4	W199 N200 T202 T203 L212 S213	W199-T210 WeakPolarHBondContact O-CB 3.33Å; N200-T210 WeakPolarHBondContact O-CG2 3.45Å; T202-T210 CarbonylContact O-C 3.55Å; T202-T210 VanDerWaalsContact O-CA 3.29Å; T202-T210 WeakPolarHBondContact O-CA 3.41Å; T203-T210 HydrophobicContact CG2-CG2 4.18Å; T210-L212 PolarHBondContact O-N 3.11Å; T210-S213 PolarHBondContact N-OG 2.91Å; T210-S213 VanDerWaalsContact N-OG 3.08Å; T210-S213 WeakPolarHBondContact O-CB 3.33Å; T210-S213 PolarHBondContact O-N 3.43Å; T210-S213 PolarHBondContact O-OG 3.28Å; T210-S213 PolarHBondContact OG1-N 3.05Å; T210-S213 VanDerWaalsContact OG1-N 3.11Å
211	E	93.5	Very high	88.1	Confident	21 Å²	21	54 Å²	54	10%	0.098	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-35.9	172.1	-173.8	60.3	-162.7	0	0	111.4	K170 W199 T202 F204 S213 K214	K170-E211 IonicContact NZ-OE1 3.92Å; K170-E211 PolarHBondContact NZ-OE1 2.77Å; W199-E211 HydrophobicContact CB-CB 3.94Å; W199-E211 HydrophobicContact CB-CG 4.21Å; W199-E211 HydrophobicContact CD2-CB 4.31Å; W199-E211 HydrophobicContact CD2-CG 3.59Å; W199-E211 HydrophobicContact CE3-CG 4.18Å; W199-E211 HydrophobicContact CG-CB 3.84Å; W199-E211 HydrophobicContact CG-CG 3.6Å; W199-E211 HydrophobicContact CZ2-CG 4.37Å; W199-E211 PolarHBondContact O-N 3.33Å; T202-E211 PolarHBondContact O-N 3.01Å; F204-E211 HydrophobicContact CE2-CB 4.48Å; F204-E211 WeakPolarHBondContact CE2-OE2 3.09Å; F204-E211 WeakPolarHBondContact CZ-OE2 3.35Å; E211-S213 VanDerWaalsContact C-N 3.31Å; E211-S213 PolarHBondContact O-N 3.38Å; E211-K214 WeakPolarHBondContact O-CB 3.32Å; E211-K214 PolarHBondContact O-N 3.19Å; E211-K214 VanDerWaalsContact O-N 3.13Å
212	L	95.7	Very high	88.4	Confident	9 Å²	9	50.1 Å²	50.1	5%	0.047	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-60.9	-39.8	174.8	-170.5	101.8	0	0	0	111.9	W199 N200 T210 K214 I215 F284 K287 V289	W199-L212 HydrophobicContact CB-CB 4.12Å; W199-L212 PolarHBondContact O-N 3.27Å; W199-L212 VanDerWaalsContact O-N 3.09Å; N200-L212 HydrophobicContact CB-CB 4.31Å; N200-L212 HydrophobicContact CB-CD2 4.22Å; T210-L212 PolarHBondContact O-N 3.11Å; L212-K214 PolarHBondContact O-N 3.04Å; L212-K214 VanDerWaalsContact O-N 3.15Å; L212-I215 HydrophobicContact CD1-CD1 4.4Å; L212-I215 WeakPolarHBondContact O-CB 3.14Å; L212-I215 VanDerWaalsContact O-CG1 3.32Å; L212-I215 WeakPolarHBondContact O-CG1 3.25Å; L212-I215 PolarHBondContact O-N 3.11Å; L212-I215 VanDerWaalsContact O-N 3.1Å; L212-F284 HydrophobicContact CD1-CD1 3.84Å; L212-F284 HydrophobicContact CD1-CE1 4.25Å; L212-K287 HydrophobicContact CD1-CD 4.23Å; L212-K287 HydrophobicContact CD2-CB 3.52Å; L212-K287 HydrophobicContact CD2-CD 4.19Å; L212-K287 HydrophobicContact CD2-CG 4.46Å; L212-V289 HydrophobicContact CD1-CG2 3.91Å; L212-V289 HydrophobicContact CD2-CG2 4Å; L212-V289 HydrophobicContact CG-CG2 3.76Å
213	S	94.2	Very high	88.9	Confident	40 Å²	40	47.3 Å²	47.3	28%	0.28	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-65.9	-15.9	179.4	75.9	0	0	0	0	113.5	K119 E209 T210 E211 I215	K119-S213 PolarHBondContact NZ-O 2.95Å; E209-S213 WeakPolarHBondContact CB-OG 3.45Å; T210-S213 PolarHBondContact N-OG 2.91Å; T210-S213 VanDerWaalsContact N-OG 3.08Å; T210-S213 WeakPolarHBondContact O-CB 3.33Å; T210-S213 PolarHBondContact O-N 3.43Å; T210-S213 PolarHBondContact O-OG 3.28Å; T210-S213 PolarHBondContact OG1-N 3.05Å; T210-S213 VanDerWaalsContact OG1-N 3.11Å; E211-S213 VanDerWaalsContact C-N 3.31Å; E211-S213 PolarHBondContact O-N 3.38Å; S213-I215 VanDerWaalsContact C-N 3.3Å
214	K	94.2	Very high	89.9	Confident	32 Å²	32	43.3 Å²	43.3	14%	0.139	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-81.7	-5.5	175.5	-65.9	-173.6	172.9	176.9	0	113.5	K119 Y120 F204 E211 L212 D216	K119-K214 CarbonylContact C-O 3.48Å; K119-K214 WeakPolarHBondContact CA-O 2.94Å; Y120-K214 HydrophobicContact CD2-CB 4.1Å; Y120-K214 HydrophobicContact CE2-CB 4.48Å; Y120-K214 HydrophobicContact CE2-CD 4.34Å; Y120-K214 PolarHBondContact N-O 2.86Å; F204-K214 HydrophobicContact CE2-CD 3.84Å; F204-K214 HydrophobicContact CZ-CD 4.36Å; E211-K214 WeakPolarHBondContact O-CB 3.32Å; E211-K214 PolarHBondContact O-N 3.19Å; E211-K214 VanDerWaalsContact O-N 3.13Å; L212-K214 PolarHBondContact O-N 3.04Å; L212-K214 VanDerWaalsContact O-N 3.15Å; K214-D216 PolarHBondContact O-N 3.14Å
215	I	96.4	Very high	91.1	Very high	13 Å²	13	39.8 Å²	39.8	7%	0.067	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	116.4	175	-51.7	178.4	0	0	0	108.8	I122 W199 L212 S213 L218 F284 V289	I122-I215 HydrophobicContact CD1-CB 4.22Å; I122-I215 HydrophobicContact CD1-CD1 3.77Å; I122-I215 HydrophobicContact CD1-CG1 3.56Å; I122-I215 HydrophobicContact CD1-CG2 3.83Å; W199-I215 HydrophobicContact CE3-CD1 3.95Å; W199-I215 HydrophobicContact CZ3-CD1 3.95Å; W199-I215 HydrophobicContact CZ3-CG1 4.36Å; L212-I215 HydrophobicContact CD1-CD1 4.4Å; L212-I215 WeakPolarHBondContact O-CB 3.14Å; L212-I215 VanDerWaalsContact O-CG1 3.32Å; L212-I215 WeakPolarHBondContact O-CG1 3.25Å; L212-I215 PolarHBondContact O-N 3.11Å; L212-I215 VanDerWaalsContact O-N 3.1Å; S213-I215 VanDerWaalsContact C-N 3.3Å; I215-L218 HydrophobicContact CG2-CB 4.3Å; I215-F284 HydrophobicContact CD1-CD1 3.82Å; I215-F284 HydrophobicContact CD1-CE1 3.96Å; I215-V289 HydrophobicContact CB-CG1 3.97Å; I215-V289 HydrophobicContact CD1-CG1 4.2Å; I215-V289 HydrophobicContact CD1-CG2 4.2Å; I215-V289 HydrophobicContact CG2-CG1 3.49Å; I215-V289 VanDerWaalsContact CG2-CG1 3.49Å
216	D	96.4	Very high	92.8	Very high	51 Å²	51	30.1 Å²	30.1	27%	0.273	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	-44.6	173.7	-150.9	53.4	0	0	0	110.7	K119 Y120 I167 K214 P290 Y332	K119-D216 HydrophobicContact CB-CB 4Å; Y120-D216 PolarHBondContact O-N 3.23Å; I167-D216 WeakPolarHBondContact CD1-OD2 3.17Å; I167-D216 HydrophobicContact CG2-CB 4.3Å; K214-D216 PolarHBondContact O-N 3.14Å; D216-P290 WeakPolarHBondContact O-CG 3.23Å; D216-Y332 PolarHBondContact OD2-OH 3.24Å
217	L	97.9	Very high	94	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	134.1	176.7	179	71.9	0	0	0	109.5	L121 I122 V219 D238 S241 P290 L292 F328 Y332	L121-L217 HydrophobicContact CD1-CB 3.84Å; L121-L217 HydrophobicContact CD1-CD2 3.8Å; L121-L217 HydrophobicContact CD1-CG 4.1Å; I122-L217 PolarHBondContact N-O 3.36Å; L217-V219 HydrophobicContact CD2-CG2 3.73Å; L217-V219 HydrophobicContact CG-CG2 4.01Å; L217-D238 HydrophobicContact CD1-CB 4.01Å; L217-S241 WeakPolarHBondContact CD2-OG 3.43Å; L217-P290 HydrophobicContact CD1-CB 4.12Å; L217-L292 HydrophobicContact CD1-CB 4.19Å; L217-L292 HydrophobicContact CD2-CB 4.37Å; L217-F328 HydrophobicContact CD2-CE1 4.05Å; L217-F328 HydrophobicContact CD2-CZ 3.7Å; L217-Y332 HydrophobicContact CB-CE2 4.45Å; L217-Y332 WeakPolarHBondContact CB-OH 3.48Å; L217-Y332 HydrophobicContact CD2-CD2 4.35Å; L217-Y332 HydrophobicContact CD2-CE2 3.74Å
218	L	98.6	Very high	95	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	110.4	168.2	173.6	62.9	0	0	0	109.5	I122 A124 I215 H281 F284 V289 P290 V291 L292	I122-L218 HydrophobicContact CB-CD1 3.93Å; I122-L218 HydrophobicContact CG2-CD1 3.46Å; I122-L218 VanDerWaalsContact CG2-CD1 3.46Å; A124-L218 HydrophobicContact CB-CD1 3.71Å; I215-L218 HydrophobicContact CG2-CB 4.3Å; L218-H281 HydrophobicContact CD2-CB 4.43Å; L218-F284 HydrophobicContact CD2-CB 3.87Å; L218-F284 HydrophobicContact CD2-CD1 4.25Å; L218-F284 HydrophobicContact CD2-CD2 3.79Å; L218-F284 HydrophobicContact CD2-CE2 4.38Å; L218-F284 HydrophobicContact CD2-CG 3.72Å; L218-V289 HydrophobicContact CB-CG1 4.05Å; L218-P290 PolarHBondContact N-O 3.35Å; L218-V291 HydrophobicContact CB-CG2 4.04Å; L218-V291 HydrophobicContact CD2-CG2 4.15Å; L218-V291 HydrophobicContact CG-CG2 4.36Å; L218-V291 CarbonylContact O-C 3.58Å; L218-V291 VanDerWaalsContact O-CA 3.28Å; L218-V291 WeakPolarHBondContact O-CA 3.18Å; L218-L292 PolarHBondContact O-N 3Å
219	V	98.7	Very high	95.8	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	104.7	173.6	-171.5	0	0	0	0	108.5	L121 I122 L123 A124 L217 L221 L292 L294 F328	L121-V219 HydrophobicContact CD1-CG2 3.72Å; I122-V219 PolarHBondContact O-N 3.31Å; L123-V219 CarbonylContact C-O 3.47Å; L123-V219 WeakPolarHBondContact CA-O 3.25Å; L123-V219 HydrophobicContact CD2-CB 3.77Å; L123-V219 HydrophobicContact CD2-CG1 4.17Å; L123-V219 HydrophobicContact CD2-CG2 4.13Å; A124-V219 PolarHBondContact N-O 2.96Å; L217-V219 HydrophobicContact CD2-CG2 3.73Å; L217-V219 HydrophobicContact CG-CG2 4.01Å; V219-L221 HydrophobicContact CG1-CD1 3.96Å; V219-L292 CarbonylContact C-O 3.55Å; V219-L292 VanDerWaalsContact CA-O 3.29Å; V219-L292 WeakPolarHBondContact CA-O 3.44Å; V219-L292 HydrophobicContact CG1-CB 4.39Å; V219-L292 HydrophobicContact CG1-CD2 4.04Å; V219-L292 HydrophobicContact CG1-CG 4.25Å; V219-L292 HydrophobicContact CG2-CB 4.26Å; V219-L292 HydrophobicContact CG2-CD2 4.2Å; V219-L294 HydrophobicContact CG1-CD1 3.73Å; V219-L294 HydrophobicContact CG1-CG 4.08Å; V219-F328 HydrophobicContact CG2-CE1 3.91Å
220	L	98.8	Very high	96.2	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	125.7	-180	-177.6	60.1	0	0	0	109.8	A124 F174 D279 D280 H281 L292 L294	A124-L220 HydrophobicContact CB-CD1 4.03Å; A124-L220 WeakPolarHBondContact O-CA 3.47Å; F174-L220 HydrophobicContact CE2-CD1 4.44Å; L220-D279 HydrophobicContact CD2-CB 4.35Å; L220-D279 WeakPolarHBondContact CD2-OD2 3.18Å; L220-D280 HydrophobicContact CD1-CB 4.19Å; L220-D280 HydrophobicContact CD2-CB 3.97Å; L220-H281 HydrophobicContact CD2-CB 3.62Å; L220-H281 VanDerWaalsContact CD2-N 3.31Å; L220-L292 PolarHBondContact N-O 3.33Å; L220-L294 WeakPolarHBondContact O-CA 3.41Å; L220-L294 WeakPolarHBondContact O-CB 3.32Å; L220-L294 PolarHBondContact O-N 3.29Å
221	L	98.9	Very high	96.3	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	125	176.6	-72.4	68.4	0	0	0	108.4	A124 C125 P144 I147 I148 V219 L224 L294 I325	A124-L221 PolarHBondContact O-N 3.33Å; C125-L221 WeakPolarHBondContact CB-O 3.2Å; P144-L221 HydrophobicContact CB-CB 3.84Å; P144-L221 HydrophobicContact CG-CB 4.45Å; I147-L221 HydrophobicContact CB-CD2 4.23Å; I147-L221 HydrophobicContact CG2-CD2 3.77Å; I148-L221 HydrophobicContact CG1-CD2 4.09Å; V219-L221 HydrophobicContact CG1-CD1 3.96Å; L221-L224 HydrophobicContact CB-CD1 3.99Å; L221-L224 HydrophobicContact CD2-CD1 4.09Å; L221-L224 HydrophobicContact CG-CD1 4.02Å; L221-L294 HydrophobicContact CD1-CD1 4.22Å; L221-L294 HydrophobicContact CG-CB 4.49Å; L221-L294 HydrophobicContact CG-CD1 4.23Å; L221-I325 HydrophobicContact CD2-CD1 3.75Å; L221-I325 HydrophobicContact CG-CD1 4.17Å
222	D	98.8	Very high	96.4	Very high	8 Å²	8	20 Å²	20	4%	0.043	10%	0.103	C	C	.	.			trans	-147.3	150.3	178	-171	25	0	0	0	111.6	H126 S141 L224 L294 I295 P296	H126-D222 IonicContact CD2-OD1 3.19Å; H126-D222 IonicContact NE2-OD1 2.81Å; S141-D222 PolarHBondContact OG-OD1 2.93Å; D222-L224 WeakPolarHBondContact O-CG 3.32Å; D222-L224 PolarHBondContact O-N 2.89Å; D222-L224 VanDerWaalsContact O-N 3.14Å; D222-L294 PolarHBondContact N-O 3.35Å; D222-I295 HydrophobicContact CB-CB 4.35Å; D222-I295 HydrophobicContact CB-CD1 4.15Å; D222-I295 HydrophobicContact CB-CG1 4.13Å; D222-I295 VanDerWaalsContact OD2-CD1 3.28Å; D222-I295 WeakPolarHBondContact OD2-CD1 3.17Å; D222-P296 WeakPolarHBondContact O-CD 3.2Å
223	L	98.7	Very high	96.4	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.01	11%	0.109	C	C	.	.	S	Bend	trans	51.5	35	178.8	-49.5	-173.4	0	0	0	115	T139 D140 I295 P296 F299 P300 W303	T139-L223 CarbonylContact O-C 3.29Å; T139-L223 WeakPolarHBondContact O-CA 3.47Å; T139-L223 PolarHBondContact O-N 3.49Å; D140-L223 HydrophobicContact CB-CD2 3.54Å; D140-L223 VanDerWaalsContact CG-CD2 3.43Å; L223-I295 HydrophobicContact CB-CG1 4.22Å; L223-I295 HydrophobicContact CD1-CD1 3.95Å; L223-I295 HydrophobicContact CD1-CG1 4.15Å; L223-I295 HydrophobicContact CG-CD1 4.13Å; L223-I295 HydrophobicContact CG-CG1 4.14Å; L223-P296 HydrophobicContact CB-CG 4.06Å; L223-P296 WeakPolarHBondContact O-CG 3.44Å; L223-F299 HydrophobicContact CD1-CB 3.97Å; L223-F299 HydrophobicContact CD1-CD1 3.7Å; L223-F299 HydrophobicContact CD1-CD2 3.72Å; L223-F299 HydrophobicContact CD1-CE1 4.03Å; L223-F299 HydrophobicContact CD1-CE2 4.04Å; L223-F299 HydrophobicContact CD1-CG 3.54Å; L223-F299 HydrophobicContact CD1-CZ 4.19Å; L223-P300 HydrophobicContact CB-CG 4.16Å; L223-P300 WeakPolarHBondContact O-CG 3.35Å; L223-W303 HydrophobicContact CD1-CG 4.28Å
224	L	98.5	Very high	96.5	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.005	10%	0.096	C	C	.	.			trans	-92.5	149	-179.6	-56.8	-176.5	0	0	0	112.3	T139 M143 P144 I147 L221 D222 I231 L294 L321 I325	T139-L224 VanDerWaalsContact CA-O 3.24Å; T139-L224 WeakPolarHBondContact CA-O 3.35Å; T139-L224 WeakPolarHBondContact CB-O 3.5Å; T139-L224 PolarHBondContact O-N 3.23Å; M143-L224 WeakPolarHBondContact CB-O 3.28Å; P144-L224 HydrophobicContact CG-CB 4.03Å; P144-L224 HydrophobicContact CG-CG 4.32Å; I147-L224 HydrophobicContact CD1-CD1 4.32Å; L221-L224 HydrophobicContact CB-CD1 3.99Å; L221-L224 HydrophobicContact CD2-CD1 4.09Å; L221-L224 HydrophobicContact CG-CD1 4.02Å; D222-L224 WeakPolarHBondContact O-CG 3.32Å; D222-L224 PolarHBondContact O-N 2.89Å; D222-L224 VanDerWaalsContact O-N 3.14Å; L224-I231 HydrophobicContact CD2-CD1 3.93Å; L224-L294 WeakPolarHBondContact CD2-O 3.47Å; L224-L321 HydrophobicContact CB-CD1 4.44Å; L224-L321 HydrophobicContact CD1-CD1 4.49Å; L224-L321 HydrophobicContact CD2-CD1 4.15Å; L224-I325 HydrophobicContact CD1-CD1 4.42Å
225	G	97.7	Very high	96.4	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.01	11%	0.112	C	C	.	.			trans	122.1	-17.8	172.9	0	0	0	0	0	114.5	I313 D314	G225-I313 WeakPolarHBondContact O-CA 3.18Å; G225-D314 PolarHBondContact O-N 2.78Å
226	A	96.6	Very high	96.1	Very high	19 Å²	19	22.5 Å²	22.5	16%	0.157	12%	0.115	C	C	.	.	S	Bend	trans	-67.2	158.2	168.8	0	0	0	0	0	111.4	T139 Q228 P229 P300 T317	T139-A226 HydrophobicContact CG2-CB 4.27Å; A226-Q228 PolarHBondContact O-N 3.43Å; A226-P229 WeakPolarHBondContact O-CD 3.49Å; A226-P300 HydrophobicContact CB-CB 3.94Å; A226-P300 HydrophobicContact CB-CG 4Å; A226-T317 WeakPolarHBondContact O-CG2 3.45Å
227	K	93.8	Very high	95.7	Very high	102 Å²	102	20.6 Å²	20.6	44%	0.443	10%	0.104	S	C	.	.	S	Bend	trans	-65.1	129.4	-179.9	-171.2	165.4	-170.4	170.2	0	112.3	E263 D314	K227-E263 WeakPolarHBondContact CE-OE2 3.45Å; K227-E263 IonicContact NZ-OE1 3.16Å; K227-E263 PolarHBondContact NZ-OE1 2.89Å; K227-E263 IonicContact NZ-OE2 2.87Å; K227-E263 PolarHBondContact NZ-OE2 2.68Å; K227-D314 HydrophobicContact CB-CB 3.78Å; K227-D314 WeakPolarHBondContact CD-OD2 3.33Å; K227-D314 HydrophobicContact CG-CB 4.25Å; K227-D314 WeakPolarHBondContact CG-OD2 3.4Å
228	Q	89.9	Confident	95.2	Very high	58 Å²	58	23.5 Å²	23.5	27%	0.271	12%	0.12	S	C	.	.	S	Bend	trans	50	58.5	170.9	-64.9	178.3	-4.9	0	0	114.7	A226 N264 T317	A226-Q228 PolarHBondContact O-N 3.43Å; Q228-N264 PolarHBondContact OE1-ND2 3.24Å; Q228-T317 PolarHBondContact N-OG1 3.09Å
229	P	94.8	Very high	94.3	Very high	16 Å²	16	30.9 Å²	30.9	10%	0.104	15%	0.152	C	C	.	.			trans	-63.2	152.1	175	27.4	-32.8	0	0	0	110.6	A226 Y268 P296 T317 L321	A226-P229 WeakPolarHBondContact O-CD 3.49Å; P229-Y268 HydrophobicContact CG-CD1 4.07Å; P229-P296 HydrophobicContact CB-CB 3.71Å; P229-P296 HydrophobicContact CB-CG 4.48Å; P229-T317 HydrophobicContact CG-CG2 4.02Å; P229-L321 HydrophobicContact CG-CD1 4.02Å
230	H	94.8	Very high	93.9	Very high	66 Å²	66	32.3 Å²	32.3	31%	0.306	17%	0.167	S	C	.	.			trans	-111.2	114.3	165.2	179.4	60.2	0	0	0	108.4	Y268 P296 L297	H230-Y268 CarbonylContact C-O 3.5Å; H230-Y268 WeakPolarHBondContact CA-O 3.38Å; H230-P296 CarbonylContact O-C 3.59Å; H230-P296 VanDerWaalsContact O-CA 3.24Å; H230-P296 WeakPolarHBondContact O-CA 3.49Å; H230-L297 PolarHBondContact O-N 2.95Å
231	I	96.5	Very high	93.6	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	108.2	179.1	-60.3	171.3	0	0	0	107.1	L224 F242 Y268 F269 G270 L294 P296 L321	L224-I231 HydrophobicContact CD2-CD1 3.93Å; I231-F242 HydrophobicContact CG2-CE2 4.38Å; I231-Y268 PolarHBondContact N-O 3.16Å; I231-F269 HydrophobicContact CB-CD1 3.85Å; I231-F269 HydrophobicContact CB-CE1 4.14Å; I231-F269 HydrophobicContact CD1-CD1 4.28Å; I231-F269 HydrophobicContact CD1-CE1 3.69Å; I231-F269 HydrophobicContact CD1-CZ 4.49Å; I231-F269 HydrophobicContact CG1-CE1 4.49Å; I231-F269 HydrophobicContact CG2-CD1 3.99Å; I231-F269 HydrophobicContact CG2-CE1 4.18Å; I231-F269 WeakPolarHBondContact O-CA 3.39Å; I231-G270 PolarHBondContact O-N 3.24Å; I231-G270 VanDerWaalsContact O-N 3.08Å; I231-L294 HydrophobicContact CG2-CD2 4.47Å; I231-P296 HydrophobicContact CG1-CB 4.44Å; I231-L321 HydrophobicContact CD1-CD2 4.41Å
232	P	95.5	Very high	93.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	167.9	-179.9	36.6	-37.8	0	0	0	111.2	Y234 F242 H271 V273 L297	P232-Y234 HydrophobicContact CG-CE1 3.95Å; P232-Y234 HydrophobicContact CG-CE2 3.82Å; P232-Y234 VanDerWaalsContact CG-CZ 3.48Å; P232-Y234 WeakPolarHBondContact CG-OH 3.39Å; P232-F242 VanDerWaalsContact C-CZ 3.42Å; P232-F242 VanDerWaalsContact O-CE2 3.23Å; P232-F242 WeakPolarHBondContact O-CE2 3.14Å; P232-F242 WeakPolarHBondContact O-CZ 3.46Å; P232-H271 VanDerWaalsContact CA-O 3.26Å; P232-H271 WeakPolarHBondContact CA-O 3.25Å; P232-H271 WeakPolarHBondContact CB-O 3.5Å; P232-V273 HydrophobicContact CB-CB 4.38Å; P232-V273 HydrophobicContact CB-CG1 3.62Å; P232-V273 HydrophobicContact CB-CG2 3.96Å; P232-V273 HydrophobicContact CG-CG1 4.08Å; P232-V273 HydrophobicContact CG-CG2 3.91Å; P232-L297 HydrophobicContact CG-CB 3.86Å; P232-L297 HydrophobicContact CG-CD2 3.92Å
233	K	95.3	Very high	93.2	Very high	37 Å²	37	36.2 Å²	36.2	16%	0.161	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	120	166.9	-173.2	175.8	-174	160.9	0	110.6	E237 K239 F242 N243 H271 A272 V273	K233-E237 VanDerWaalsContact CA-OE2 3.32Å; K233-E237 WeakPolarHBondContact CA-OE2 3.46Å; K233-K239 PolarHBondContact NZ-O 3.35Å; K233-F242 HydrophobicContact CB-CD1 3.74Å; K233-F242 HydrophobicContact CB-CD2 4.27Å; K233-F242 HydrophobicContact CB-CE1 3.61Å; K233-F242 HydrophobicContact CB-CE2 4.18Å; K233-F242 HydrophobicContact CB-CG 4.07Å; K233-F242 HydrophobicContact CB-CZ 3.86Å; K233-F242 HydrophobicContact CD-CB 4.38Å; K233-F242 HydrophobicContact CD-CD1 3.95Å; K233-F242 HydrophobicContact CD-CG 4.24Å; K233-F242 HydrophobicContact CG-CB 4.33Å; K233-F242 HydrophobicContact CG-CD1 3.93Å; K233-F242 HydrophobicContact CG-CD2 4.33Å; K233-F242 HydrophobicContact CG-CE1 4.32Å; K233-F242 HydrophobicContact CG-CG 3.93Å; K233-N243 PolarHBondContact NZ-OD1 3.38Å; K233-H271 PolarHBondContact N-O 3.44Å; K233-A272 HydrophobicContact CB-CB 4.06Å; K233-A272 CarbonylContact O-C 3.45Å; K233-A272 VanDerWaalsContact O-CA 3.27Å; K233-A272 WeakPolarHBondContact O-CA 3.32Å; K233-V273 PolarHBondContact O-N 3.06Å
234	Y	95.4	Very high	92.9	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.016	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-86.5	155.1	178.1	-65.5	-80	0	0	0	112.1	P232 Y236 E237 V273 I277 H293 I295	P232-Y234 HydrophobicContact CG-CE1 3.95Å; P232-Y234 HydrophobicContact CG-CE2 3.82Å; P232-Y234 VanDerWaalsContact CG-CZ 3.48Å; P232-Y234 WeakPolarHBondContact CG-OH 3.39Å; Y234-Y236 VanDerWaalsContact C-N 3.28Å; Y234-Y236 WeakPolarHBondContact CB-OH 3.23Å; Y234-Y236 HydrophobicContact CD1-CE1 4.5Å; Y234-Y236 WeakPolarHBondContact CD1-OH 3.32Å; Y234-Y236 HydrophobicContact CG-CE1 4.37Å; Y234-Y236 HydrophobicContact CG-CE2 4.13Å; Y234-Y236 AromaticContact CG-CZ 3.69Å; Y234-Y236 VanDerWaalsContact CG-OH 3.23Å; Y234-Y236 PolarHBondContact O-N 2.89Å; Y234-E237 PolarHBondContact N-OE2 3.03Å; Y234-E237 PolarHBondContact O-N 2.62Å; Y234-V273 HydrophobicContact CD1-CG2 3.55Å; Y234-V273 HydrophobicContact CE1-CG2 3.73Å; Y234-V273 HydrophobicContact CG-CG2 4.3Å; Y234-I277 HydrophobicContact CD1-CD1 4.48Å; Y234-I277 HydrophobicContact CE1-CD1 3.42Å; Y234-I277 VanDerWaalsContact CE1-CD1 3.42Å; Y234-I277 HydrophobicContact CE1-CG1 3.98Å; Y234-I277 VanDerWaalsContact CZ-CD1 3.5Å; Y234-I277 WeakPolarHBondContact OH-CD1 3.5Å; Y234-H293 HydrophobicContact CD2-CB 4.19Å; Y234-I295 HydrophobicContact CE2-CG2 3.62Å; Y234-I295 VanDerWaalsContact OH-CG2 3.29Å; Y234-I295 WeakPolarHBondContact OH-CG2 3.18Å; Y234-I295 PolarHBondContact OH-O 2.82Å
235	P	92.7	Very high	92.6	Very high	74 Å²	74	37.5 Å²	37.5	48%	0.481	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-21.3	-173	25.8	-35.1	0	0	0	114.7	Y275 Q276	P235-Y275 WeakPolarHBondContact CD-O 3.34Å; P235-Q276 HydrophobicContact CG-CG 4.17Å
236	Y	90.2	Very high	92.4	Very high	32 Å²	32	40.5 Å²	40.5	13%	0.125	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-6	179.7	46.4	-107.9	0	0	0	113.8	Y234 Q276 H281 V285 V291 H293	Y234-Y236 VanDerWaalsContact C-N 3.28Å; Y234-Y236 WeakPolarHBondContact CB-OH 3.23Å; Y234-Y236 HydrophobicContact CD1-CE1 4.5Å; Y234-Y236 WeakPolarHBondContact CD1-OH 3.32Å; Y234-Y236 HydrophobicContact CG-CE1 4.37Å; Y234-Y236 HydrophobicContact CG-CE2 4.13Å; Y234-Y236 AromaticContact CG-CZ 3.69Å; Y234-Y236 VanDerWaalsContact CG-OH 3.23Å; Y234-Y236 PolarHBondContact O-N 2.89Å; Y236-Q276 HydrophobicContact CD1-CB 4.4Å; Y236-Q276 HydrophobicContact CD1-CG 3.92Å; Y236-Q276 HydrophobicContact CE1-CB 4.01Å; Y236-Q276 HydrophobicContact CE1-CG 4Å; Y236-H281 AromaticContact CD2-CD2 3.96Å; Y236-H281 AromaticContact CE1-NE2 3.62Å; Y236-H281 AromaticContact CE2-CD2 3.6Å; Y236-H281 AromaticContact CE2-NE2 3.39Å; Y236-H281 WeakPolarHBondContact CE2-NE2 3.45Å; Y236-H281 AromaticContact CZ-CD2 3.87Å; Y236-H281 AromaticContact CZ-NE2 3.14Å; Y236-H281 PolarHBondContact OH-NE2 2.78Å; Y236-V285 HydrophobicContact CD2-CG2 4.49Å; Y236-V291 HydrophobicContact CD2-CG1 4.37Å; Y236-V291 HydrophobicContact CE2-CG1 4.42Å; Y236-H293 HydrophobicContact CE2-CB 3.79Å; Y236-H293 AromaticContact CE2-ND1 3.93Å; Y236-H293 AromaticContact CZ-ND1 3.72Å; Y236-H293 PolarHBondContact OH-ND1 3.46Å
237	E	87.2	Confident	92.2	Very high	11 Å²	11	41.7 Å²	41.7	5%	0.051	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-76.5	152.1	-173.4	-70	179.5	134.4	0	0	113.6	K233 Y234 K239 F242 V291 H293	K233-E237 VanDerWaalsContact CA-OE2 3.32Å; K233-E237 WeakPolarHBondContact CA-OE2 3.46Å; Y234-E237 PolarHBondContact N-OE2 3.03Å; Y234-E237 PolarHBondContact O-N 2.62Å; E237-K239 PolarHBondContact O-N 2.9Å; E237-F242 WeakPolarHBondContact OE2-CD2 3.31Å; E237-V291 CarbonylContact C-O 3.6Å; E237-V291 WeakPolarHBondContact CA-O 3.48Å; E237-V291 WeakPolarHBondContact CB-O 3.23Å; E237-H293 HydrophobicContact CG-CB 4.5Å; E237-H293 WeakPolarHBondContact OE1-CA 3.24Å; E237-H293 PolarHBondContact OE1-N 2.86Å
238	D	87.3	Confident	92.1	Very high	62 Å²	62	36.9 Å²	36.9	33%	0.332	19%	0.191	S	C	.	.			trans	-62	120.2	166.7	176.2	57.1	0	0	0	110.7	L217 G240 S241 F242 P290 V291	L217-D238 HydrophobicContact CD1-CB 4.01Å; D238-G240 VanDerWaalsContact C-N 3.29Å; D238-G240 PolarHBondContact O-N 3.15Å; D238-G240 PolarHBondContact OD2-N 3.24Å; D238-S241 PolarHBondContact O-N 3.18Å; D238-S241 VanDerWaalsContact OD2-CB 3.25Å; D238-S241 WeakPolarHBondContact OD2-CB 3.43Å; D238-S241 PolarHBondContact OD2-N 3.29Å; D238-S241 PolarHBondContact OD2-OG 3.06Å; D238-F242 PolarHBondContact O-N 3.38Å; D238-P290 HydrophobicContact CB-CB 4.33Å; D238-V291 PolarHBondContact N-O 2.87Å
239	K	80.2	Confident	92.3	Very high	154 Å²	154	34.2 Å²	34.2	67%	0.67	18%	0.178	S	C	*	.	H	α-helix	trans	-66.2	-32.8	-173.1	-67.8	-176.3	-177.7	176	0	112.5	K233 E237 N243	K233-K239 PolarHBondContact NZ-O 3.35Å; E237-K239 PolarHBondContact O-N 2.9Å; K239-N243 PolarHBondContact O-N 3.07Å; K239-N243 PolarHBondContact O-ND2 3.47Å; K239-N243 PolarHBondContact O-OD1 2.99Å
240	G	90.5	Very high	92.1	Very high	30 Å²	30	39.8 Å²	39.8	31%	0.309	20%	0.197	S	C	.	.	H	α-helix	trans	-71.3	-44.2	-178.1	0	0	0	0	0	111.8	D238 N243 M244	D238-G240 VanDerWaalsContact C-N 3.29Å; D238-G240 PolarHBondContact O-N 3.15Å; D238-G240 PolarHBondContact OD2-N 3.24Å; G240-N243 PolarHBondContact O-N 3.04Å; G240-M244 PolarHBondContact O-N 2.85Å
241	S	93.1	Very high	91.9	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.021	19%	0.189	C	C	.	.	H	α-helix	trans	-65.3	-44.1	-176.3	-59.1	0	0	0	0	112.4	L217 D238 N243 M244 L245 F328	L217-S241 WeakPolarHBondContact CD2-OG 3.43Å; D238-S241 PolarHBondContact O-N 3.18Å; D238-S241 VanDerWaalsContact OD2-CB 3.25Å; D238-S241 WeakPolarHBondContact OD2-CB 3.43Å; D238-S241 PolarHBondContact OD2-N 3.29Å; D238-S241 PolarHBondContact OD2-OG 3.06Å; S241-N243 PolarHBondContact O-N 3.34Å; S241-M244 WeakPolarHBondContact O-CB 3.41Å; S241-M244 PolarHBondContact O-N 3.43Å; S241-L245 PolarHBondContact O-N 2.63Å; S241-F328 WeakPolarHBondContact O-CE2 3.38Å
242	F	94.7	Very high	91.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-64.8	-41	176.3	-165	-88.3	0	0	0	112.4	I231 P232 K233 E237 D238 M244 L245 I246 F269 L292	I231-F242 HydrophobicContact CG2-CE2 4.38Å; P232-F242 VanDerWaalsContact C-CZ 3.42Å; P232-F242 VanDerWaalsContact O-CE2 3.23Å; P232-F242 WeakPolarHBondContact O-CE2 3.14Å; P232-F242 WeakPolarHBondContact O-CZ 3.46Å; K233-F242 HydrophobicContact CB-CD1 3.74Å; K233-F242 HydrophobicContact CB-CD2 4.27Å; K233-F242 HydrophobicContact CB-CE1 3.61Å; K233-F242 HydrophobicContact CB-CE2 4.18Å; K233-F242 HydrophobicContact CB-CG 4.07Å; K233-F242 HydrophobicContact CB-CZ 3.86Å; K233-F242 HydrophobicContact CD-CB 4.38Å; K233-F242 HydrophobicContact CD-CD1 3.95Å; K233-F242 HydrophobicContact CD-CG 4.24Å; K233-F242 HydrophobicContact CG-CB 4.33Å; K233-F242 HydrophobicContact CG-CD1 3.93Å; K233-F242 HydrophobicContact CG-CD2 4.33Å; K233-F242 HydrophobicContact CG-CE1 4.32Å; K233-F242 HydrophobicContact CG-CG 3.93Å; E237-F242 WeakPolarHBondContact OE2-CD2 3.31Å; D238-F242 PolarHBondContact O-N 3.38Å; F242-M244 VanDerWaalsContact C-N 3.28Å; F242-M244 PolarHBondContact O-N 3.1Å; F242-L245 PolarHBondContact O-N 2.99Å; F242-I246 HydrophobicContact CD1-CD1 3.67Å; F242-I246 HydrophobicContact CD1-CG1 4.16Å; F242-I246 HydrophobicContact CE1-CD1 3.58Å; F242-I246 HydrophobicContact CE1-CG1 3.97Å; F242-I246 PolarHBondContact O-N 3.07Å; F242-I246 VanDerWaalsContact O-N 3.17Å; F242-F269 HydrophobicContact CE1-CB 4.37Å; F242-F269 HydrophobicContact CE2-CD1 4.48Å; F242-F269 HydrophobicContact CZ-CB 4.08Å; F242-L292 HydrophobicContact CB-CD1 4.07Å; F242-L292 HydrophobicContact CD2-CD1 3.75Å; F242-L292 HydrophobicContact CG-CD1 4.4Å
243	N	93.1	Very high	91.1	Very high	87 Å²	87	39.6 Å²	39.6	47%	0.465	19%	0.194	S	C	.	.	H	α-helix	trans	-64.7	-34.1	177.6	-71.7	-1.5	0	0	0	111.8	K233 K239 G240 S241 I246 E247	K233-N243 PolarHBondContact NZ-OD1 3.38Å; K239-N243 PolarHBondContact O-N 3.07Å; K239-N243 PolarHBondContact O-ND2 3.47Å; K239-N243 PolarHBondContact O-OD1 2.99Å; G240-N243 PolarHBondContact O-N 3.04Å; S241-N243 PolarHBondContact O-N 3.34Å; N243-I246 PolarHBondContact O-N 3.08Å; N243-E247 PolarHBondContact O-N 3.49Å; N243-E247 VanDerWaalsContact O-N 3.08Å
244	M	92.9	Very high	90.7	Very high	30 Å²	30	41.5 Å²	41.5	15%	0.148	21%	0.212	C	C	.	.	H	α-helix	trans	-60.3	-45.9	173.3	-172.2	-175.1	-65.3	0	0	111	F21 G240 S241 F242 I246 E247 L248 F328 N331	F21-M244 HydrophobicContact CE2-CG 4.39Å; F21-M244 HydrophobicContact CZ-CG 3.93Å; G240-M244 PolarHBondContact O-N 2.85Å; S241-M244 WeakPolarHBondContact O-CB 3.41Å; S241-M244 PolarHBondContact O-N 3.43Å; F242-M244 VanDerWaalsContact C-N 3.28Å; F242-M244 PolarHBondContact O-N 3.1Å; M244-I246 PolarHBondContact O-N 3.12Å; M244-E247 PolarHBondContact O-N 3.17Å; M244-L248 HydrophobicContact CG-CD1 4.15Å; M244-L248 HydrophobicContact CG-CG 4.38Å; M244-L248 VanDerWaalsContact O-CG 3.26Å; M244-L248 WeakPolarHBondContact O-CG 3.33Å; M244-L248 PolarHBondContact O-N 3.15Å; M244-F328 HydrophobicContact CB-CD2 4.3Å; M244-F328 HydrophobicContact CB-CE2 4.18Å; M244-F328 HydrophobicContact CG-CD2 4.14Å; M244-F328 HydrophobicContact CG-CE2 4.36Å; M244-F328 HydrophobicContact SD-CD2 3.73Å; M244-F328 HydrophobicContact SD-CE2 3.8Å; M244-N331 HydrophobicContact SD-CB 3.92Å
245	L	93	Very high	90.1	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-60.3	-43.7	176.8	-82.2	177.1	0	0	0	113	S241 F242 E247 L248 E249 F269 L292 L294 F328	S241-L245 PolarHBondContact O-N 2.63Å; F242-L245 PolarHBondContact O-N 2.99Å; L245-E247 VanDerWaalsContact C-N 3.31Å; L245-E247 PolarHBondContact O-N 2.95Å; L245-L248 PolarHBondContact O-N 3.01Å; L245-E249 WeakPolarHBondContact O-CB 3.36Å; L245-E249 PolarHBondContact O-N 3.37Å; L245-F269 HydrophobicContact CB-CD2 4.06Å; L245-F269 HydrophobicContact CB-CE2 4.13Å; L245-F269 HydrophobicContact CB-CG 4.29Å; L245-F269 HydrophobicContact CB-CZ 4.46Å; L245-F269 HydrophobicContact CD1-CD1 4.33Å; L245-F269 HydrophobicContact CD1-CE1 3.92Å; L245-F269 HydrophobicContact CD1-CE2 4.47Å; L245-F269 HydrophobicContact CD1-CZ 3.99Å; L245-F269 HydrophobicContact CD2-CE2 4.16Å; L245-F269 HydrophobicContact CD2-CZ 4.17Å; L245-F269 HydrophobicContact CG-CZ 4.47Å; L245-L292 HydrophobicContact CD1-CD1 4.21Å; L245-L292 HydrophobicContact CD1-CD2 3.71Å; L245-L292 HydrophobicContact CD1-CG 4.35Å; L245-L292 HydrophobicContact CG-CD2 4.44Å; L245-L294 HydrophobicContact CD1-CD1 4.45Å; L245-L294 HydrophobicContact CD1-CD2 3.58Å; L245-F328 HydrophobicContact CD2-CB 3.71Å; L245-F328 HydrophobicContact CD2-CD2 3.96Å; L245-F328 HydrophobicContact CD2-CG 4.01Å; L245-F328 HydrophobicContact CG-CD2 3.82Å; L245-F328 HydrophobicContact CG-CE2 4.41Å; L245-F328 HydrophobicContact CG-CG 4.3Å
246	I	93.4	Very high	89.7	Confident	64 Å²	64	47.3 Å²	47.3	33%	0.328	24%	0.236	S	C	.	.	H	α-helix	trans	-57.3	-46.2	175.1	-69.1	167.2	0	0	0	110.6	F242 N243 M244 E249 R250 F269	F242-I246 HydrophobicContact CD1-CD1 3.67Å; F242-I246 HydrophobicContact CD1-CG1 4.16Å; F242-I246 HydrophobicContact CE1-CD1 3.58Å; F242-I246 HydrophobicContact CE1-CG1 3.97Å; F242-I246 PolarHBondContact O-N 3.07Å; F242-I246 VanDerWaalsContact O-N 3.17Å; N243-I246 PolarHBondContact O-N 3.08Å; M244-I246 PolarHBondContact O-N 3.12Å; I246-E249 PolarHBondContact O-N 3.28Å; I246-R250 WeakPolarHBondContact O-CB 3.26Å; I246-R250 PolarHBondContact O-N 3.17Å; I246-F269 HydrophobicContact CG1-CB 3.88Å
247	E	92.3	Very high	89.5	Confident	44 Å²	44	46.7 Å²	46.7	21%	0.206	23%	0.234	C	C	.	.	H	α-helix	trans	-67.6	-39.9	-178.6	175.5	59.1	-169.8	0	0	112	F21 N243 M244 L245 R250 R251	F21-E247 HydrophobicContact CD1-CG 3.44Å; F21-E247 VanDerWaalsContact CD1-CG 3.44Å; F21-E247 HydrophobicContact CE1-CB 4.28Å; F21-E247 HydrophobicContact CE1-CG 3.46Å; F21-E247 VanDerWaalsContact CE1-CG 3.46Å; F21-E247 HydrophobicContact CG-CG 4.44Å; F21-E247 HydrophobicContact CZ-CG 4.43Å; N243-E247 PolarHBondContact O-N 3.49Å; N243-E247 VanDerWaalsContact O-N 3.08Å; M244-E247 PolarHBondContact O-N 3.17Å; L245-E247 VanDerWaalsContact C-N 3.31Å; L245-E247 PolarHBondContact O-N 2.95Å; E247-R250 VanDerWaalsContact CD-NH2 3.29Å; E247-R250 PolarHBondContact O-N 3.45Å; E247-R250 IonicContact OE1-CZ 3.66Å; E247-R250 IonicContact OE1-NE 3.83Å; E247-R250 IonicContact OE1-NH2 2.69Å; E247-R250 PolarHBondContact OE1-NH2 3.06Å; E247-R250 IonicContact OE2-CZ 3.36Å; E247-R250 IonicContact OE2-NE 2.75Å; E247-R250 PolarHBondContact OE2-NE 2.95Å; E247-R250 IonicContact OE2-NH2 3.13Å; E247-R250 PolarHBondContact OE2-NH2 3.48Å; E247-R250 VanDerWaalsContact OE2-NH2 3.13Å; E247-R251 WeakPolarHBondContact O-CG 3.38Å; E247-R251 PolarHBondContact O-N 3.3Å; E247-R251 IonicContact OE1-CZ 3.35Å; E247-R251 IonicContact OE1-NE 2.72Å; E247-R251 PolarHBondContact OE1-NE 3.08Å; E247-R251 IonicContact OE1-NH2 3.1Å; E247-R251 PolarHBondContact OE1-NH2 2.81Å; E247-R251 VanDerWaalsContact OE1-NH2 3.1Å
248	L	92.3	Very high	89.5	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-62.8	-44.3	174.2	-68.3	177.4	0	0	0	111.4	F21 M244 L245 R251 M252 L324 L327 F328	F21-L248 HydrophobicContact CE1-CD2 4.23Å; F21-L248 HydrophobicContact CZ-CD2 4.4Å; M244-L248 HydrophobicContact CG-CD1 4.15Å; M244-L248 HydrophobicContact CG-CG 4.38Å; M244-L248 VanDerWaalsContact O-CG 3.26Å; M244-L248 WeakPolarHBondContact O-CG 3.33Å; M244-L248 PolarHBondContact O-N 3.15Å; L245-L248 PolarHBondContact O-N 3.01Å; L248-R251 PolarHBondContact O-N 2.85Å; L248-M252 WeakPolarHBondContact O-CB 3.42Å; L248-M252 WeakPolarHBondContact O-CG 3.49Å; L248-M252 PolarHBondContact O-N 3.46Å; L248-L324 HydrophobicContact CB-CD2 4.47Å; L248-L327 HydrophobicContact CB-CD2 4.15Å; L248-L327 HydrophobicContact CD1-CB 4.43Å; L248-L327 HydrophobicContact CD1-CD2 4.36Å; L248-L327 HydrophobicContact CD1-CG 3.94Å; L248-L327 HydrophobicContact CD2-CD1 4.48Å; L248-L327 HydrophobicContact CD2-CD2 3.72Å; L248-L327 HydrophobicContact CD2-CG 3.77Å; L248-L327 HydrophobicContact CG-CD2 4.27Å; L248-L327 HydrophobicContact CG-CG 4.3Å; L248-F328 HydrophobicContact CD1-CB 3.99Å
249	E	93	Very high	89.2	Confident	3 Å²	3	48.5 Å²	48.5	1%	0.014	24%	0.239	C	C	.	.	H	α-helix	trans	-59.1	-49.7	174.6	176.8	171	-157.5	0	0	111.7	L245 I246 R251 M252 R253 L258 P267 Y268 F269 L324	L245-E249 WeakPolarHBondContact O-CB 3.36Å; L245-E249 PolarHBondContact O-N 3.37Å; I246-E249 PolarHBondContact O-N 3.28Å; E249-R251 VanDerWaalsContact C-N 3.27Å; E249-R251 PolarHBondContact O-N 3.49Å; E249-M252 PolarHBondContact O-N 2.63Å; E249-R253 HydrophobicContact CG-CG 4.4Å; E249-R253 WeakPolarHBondContact O-CB 3.15Å; E249-R253 WeakPolarHBondContact O-CG 3.34Å; E249-R253 PolarHBondContact O-N 3.12Å; E249-R253 IonicContact OE1-CZ 2.76Å; E249-R253 IonicContact OE1-NE 3.16Å; E249-R253 PolarHBondContact OE1-NE 3.07Å; E249-R253 IonicContact OE1-NH2 2.73Å; E249-R253 PolarHBondContact OE1-NH2 3.26Å; E249-L258 HydrophobicContact CG-CD1 4.06Å; E249-P267 WeakPolarHBondContact OE1-CA 3.31Å; E249-Y268 VanDerWaalsContact OE1-CD2 3.31Å; E249-Y268 WeakPolarHBondContact OE1-CD2 3.42Å; E249-Y268 PolarHBondContact OE1-N 2.72Å; E249-Y268 PolarHBondContact OE2-N 2.87Å; E249-F269 HydrophobicContact CB-CD2 4.14Å; E249-F269 VanDerWaalsContact OE2-CD2 3.31Å; E249-F269 WeakPolarHBondContact OE2-CD2 3.37Å; E249-F269 PolarHBondContact OE2-N 3.03Å; E249-L324 VanDerWaalsContact CA-CD2 3.49Å; E249-L324 HydrophobicContact CB-CD2 3.86Å
250	R	91.3	Very high	88.8	Confident	133 Å²	133	41.7 Å²	41.7	50%	0.502	21%	0.211	S	C	.	.	H	α-helix	trans	-55.6	-44.6	178.2	-170.8	-167.6	67.5	73.6	-0.1	111.1	I246 E247 S254	I246-R250 WeakPolarHBondContact O-CB 3.26Å; I246-R250 PolarHBondContact O-N 3.17Å; E247-R250 VanDerWaalsContact CD-NH2 3.29Å; E247-R250 PolarHBondContact O-N 3.45Å; E247-R250 IonicContact OE1-CZ 3.66Å; E247-R250 IonicContact OE1-NE 3.83Å; E247-R250 IonicContact OE1-NH2 2.69Å; E247-R250 PolarHBondContact OE1-NH2 3.06Å; E247-R250 IonicContact OE2-CZ 3.36Å; E247-R250 IonicContact OE2-NE 2.75Å; E247-R250 PolarHBondContact OE2-NE 2.95Å; E247-R250 IonicContact OE2-NH2 3.13Å; E247-R250 PolarHBondContact OE2-NH2 3.48Å; E247-R250 VanDerWaalsContact OE2-NH2 3.13Å; R250-S254 PolarHBondContact O-N 3.35Å; R250-S254 VanDerWaalsContact O-N 3.11Å
251	R	89.4	Confident	87.4	Confident	32 Å²	32	41.2 Å²	41.2	12%	0.121	20%	0.203	C	C	.	.	H	α-helix	trans	-66.5	-50.1	177.4	-70.7	-178.4	-177	-148.1	-7.3	111.8	F21 F41 E247 L248 E249 R253 S254 F255	F21-R251 VanDerWaalsContact CD1-CZ 3.49Å; F21-R251 PolarHBondContact O-NH2 2.92Å; F41-R251 HydrophobicContact CE2-CB 3.46Å; F41-R251 VanDerWaalsContact CE2-CB 3.46Å; F41-R251 HydrophobicContact CE2-CG 4.3Å; F41-R251 HydrophobicContact CZ-CB 3.49Å; F41-R251 VanDerWaalsContact CZ-CB 3.49Å; E247-R251 WeakPolarHBondContact O-CG 3.38Å; E247-R251 PolarHBondContact O-N 3.3Å; E247-R251 IonicContact OE1-CZ 3.35Å; E247-R251 IonicContact OE1-NE 2.72Å; E247-R251 PolarHBondContact OE1-NE 3.08Å; E247-R251 IonicContact OE1-NH2 3.1Å; E247-R251 PolarHBondContact OE1-NH2 2.81Å; E247-R251 VanDerWaalsContact OE1-NH2 3.1Å; L248-R251 PolarHBondContact O-N 2.85Å; E249-R251 VanDerWaalsContact C-N 3.27Å; E249-R251 PolarHBondContact O-N 3.49Å; R251-R253 PolarHBondContact O-N 2.67Å; R251-S254 PolarHBondContact O-N 2.7Å; R251-S254 PolarHBondContact O-OG 3.3Å; R251-F255 VanDerWaalsContact O-CD2 3.32Å; R251-F255 WeakPolarHBondContact O-CD2 3.23Å; R251-F255 PolarHBondContact O-N 2.84Å; R251-F255 VanDerWaalsContact O-N 3.13Å
252	M	88.7	Confident	85.6	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-55.9	-39.8	178.3	-75	-172.7	75.5	0	0	112.6	F41 L44 L248 E249 F255 N256 L257 L258 L323 L324 L327	F41-M252 HydrophobicContact CD1-CG 3.77Å; F41-M252 HydrophobicContact CE1-CB 4.27Å; F41-M252 HydrophobicContact CE1-CG 3.16Å; F41-M252 HydrophobicContact CE1-SD 4.25Å; F41-M252 HydrophobicContact CZ-CG 3.98Å; L44-M252 HydrophobicContact CD1-CE 4.18Å; L248-M252 WeakPolarHBondContact O-CB 3.42Å; L248-M252 WeakPolarHBondContact O-CG 3.49Å; L248-M252 PolarHBondContact O-N 3.46Å; E249-M252 PolarHBondContact O-N 2.63Å; M252-F255 PolarHBondContact O-N 3.05Å; M252-N256 PolarHBondContact O-N 3.41Å; M252-L257 HydrophobicContact CB-CB 4.36Å; M252-L257 HydrophobicContact CE-CB 4.12Å; M252-L257 PolarHBondContact O-N 3.12Å; M252-L258 HydrophobicContact CB-CD1 4.31Å; M252-L258 HydrophobicContact CB-CD2 3.82Å; M252-L258 HydrophobicContact CB-CG 3.87Å; M252-L258 HydrophobicContact CE-CD2 3.49Å; M252-L258 VanDerWaalsContact CE-CD2 3.49Å; M252-L258 HydrophobicContact CG-CD2 4.47Å; M252-L258 HydrophobicContact SD-CD2 3.98Å; M252-L323 HydrophobicContact CE-CB 3.73Å; M252-L323 HydrophobicContact CE-CD1 4.3Å; M252-L324 HydrophobicContact CG-CD2 4.3Å; M252-L324 HydrophobicContact SD-CD2 3.38Å; M252-L324 WeakPolarHBondContact SD-CD2 3.36Å; M252-L324 HydrophobicContact SD-CG 3.76Å; M252-L327 HydrophobicContact CG-CD2 4.12Å; M252-L327 HydrophobicContact SD-CD2 3.86Å
253	R	88	Confident	84	Confident	31 Å²	31	51.1 Å²	51.1	12%	0.117	26%	0.261	C	S	.	.	H	α-helix	trans	-63	-45.1	173.8	-72.2	178	-179.3	-91	-6.4	112	E249 R251 F255 N256 L258 K266	E249-R253 HydrophobicContact CG-CG 4.4Å; E249-R253 WeakPolarHBondContact O-CB 3.15Å; E249-R253 WeakPolarHBondContact O-CG 3.34Å; E249-R253 PolarHBondContact O-N 3.12Å; E249-R253 IonicContact OE1-CZ 2.76Å; E249-R253 IonicContact OE1-NE 3.16Å; E249-R253 PolarHBondContact OE1-NE 3.07Å; E249-R253 IonicContact OE1-NH2 2.73Å; E249-R253 PolarHBondContact OE1-NH2 3.26Å; R251-R253 PolarHBondContact O-N 2.67Å; R253-F255 PolarHBondContact O-N 2.91Å; R253-N256 PolarHBondContact O-N 3.21Å; R253-L258 HydrophobicContact CG-CD1 3.51Å; R253-L258 HydrophobicContact CG-CG 4.17Å; R253-K266 PolarHBondContact NH1-O 3.5Å; R253-K266 PolarHBondContact NH2-O 3.39Å
254	S	85.7	Confident	82.7	Confident	77 Å²	77	51.5 Å²	51.5	54%	0.538	26%	0.263	S	S	.	.	H	α-helix	trans	-61.7	-25.6	178	72.2	0	0	0	0	113.8	R250 R251	R250-S254 PolarHBondContact O-N 3.35Å; R250-S254 VanDerWaalsContact O-N 3.11Å; R251-S254 PolarHBondContact O-N 2.7Å; R251-S254 PolarHBondContact O-OG 3.3Å
255	F	83.9	Confident	81.6	Confident	75 Å²	75	55.7 Å²	55.7	33%	0.329	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	5.6	173.9	-75.1	-80.4	0	0	0	114.3	D38 F41 R251 M252 R253 L257	D38-F255 HydrophobicContact CB-CE2 4.46Å; D38-F255 HydrophobicContact CB-CZ 3.87Å; D38-F255 VanDerWaalsContact CG-CZ 3.49Å; D38-F255 VanDerWaalsContact OD1-CE2 3.23Å; D38-F255 WeakPolarHBondContact OD1-CE2 3.48Å; D38-F255 VanDerWaalsContact OD1-CZ 3.27Å; D38-F255 WeakPolarHBondContact OD1-CZ 3.5Å; F41-F255 HydrophobicContact CB-CB 4.38Å; F41-F255 HydrophobicContact CB-CD2 4.19Å; F41-F255 HydrophobicContact CB-CG 4.13Å; F41-F255 AromaticContact CD2-CD2 3.43Å; F41-F255 HydrophobicContact CD2-CD2 3.43Å; F41-F255 VanDerWaalsContact CD2-CD2 3.43Å; F41-F255 AromaticContact CD2-CE2 3.6Å; F41-F255 HydrophobicContact CD2-CE2 3.6Å; F41-F255 HydrophobicContact CD2-CG 4.22Å; F41-F255 HydrophobicContact CD2-CZ 4.47Å; F41-F255 HydrophobicContact CE2-CD2 4.13Å; F41-F255 HydrophobicContact CE2-CE2 4.21Å; F41-F255 AromaticContact CG-CD2 3.97Å; F41-F255 HydrophobicContact CG-CD2 3.97Å; F41-F255 HydrophobicContact CG-CE2 4.48Å; F41-F255 HydrophobicContact CG-CG 4.35Å; R251-F255 VanDerWaalsContact O-CD2 3.32Å; R251-F255 WeakPolarHBondContact O-CD2 3.23Å; R251-F255 PolarHBondContact O-N 2.84Å; R251-F255 VanDerWaalsContact O-N 3.13Å; M252-F255 PolarHBondContact O-N 3.05Å; R253-F255 PolarHBondContact O-N 2.91Å; F255-L257 VanDerWaalsContact C-N 3.29Å; F255-L257 HydrophobicContact CB-CD1 4Å; F255-L257 HydrophobicContact CB-CG 3.82Å; F255-L257 PolarHBondContact O-N 2.99Å
256	N	83.9	Confident	81.2	Confident	125 Å²	125	62.8 Å²	62.8	67%	0.668	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	43.2	-175.8	-61.3	-56.9	0	0	0	113.1	M252 R253	M252-N256 PolarHBondContact O-N 3.41Å; R253-N256 PolarHBondContact O-N 3.21Å
257	L	85.3	Confident	81.2	Confident	18 Å²	18	63.1 Å²	63.1	9%	0.094	32%	0.322	C	S	.	.			trans	-96.6	-16.5	-179.7	-63.1	-179.6	0	0	0	114.2	F41 L44 R45 M252 F255	F41-L257 HydrophobicContact CB-CD1 3.4Å; F41-L257 VanDerWaalsContact CB-CD1 3.4Å; F41-L257 HydrophobicContact CD1-CD1 3.34Å; F41-L257 HydrophobicContact CE1-CD1 4.41Å; F41-L257 HydrophobicContact CG-CD1 3.64Å; F41-L257 WeakPolarHBondContact O-CD1 3.29Å; L44-L257 HydrophobicContact CB-CD1 4.4Å; R45-L257 HydrophobicContact CB-CD2 3.71Å; R45-L257 HydrophobicContact CG-CD2 3.9Å; M252-L257 HydrophobicContact CB-CB 4.36Å; M252-L257 HydrophobicContact CE-CB 4.12Å; M252-L257 PolarHBondContact O-N 3.12Å; F255-L257 VanDerWaalsContact C-N 3.29Å; F255-L257 HydrophobicContact CB-CD1 4Å; F255-L257 HydrophobicContact CB-CG 3.82Å; F255-L257 PolarHBondContact O-N 2.99Å
258	L	86.6	Confident	81.3	Confident	6 Å²	6	61.1 Å²	61.1	3%	0.031	31%	0.313	C	S	.	.			trans	-90	125.3	175.4	-55.2	-170.9	0	0	0	108.5	E249 M252 R253 S261 Y268 D320 L324	E249-L258 HydrophobicContact CG-CD1 4.06Å; M252-L258 HydrophobicContact CB-CD1 4.31Å; M252-L258 HydrophobicContact CB-CD2 3.82Å; M252-L258 HydrophobicContact CB-CG 3.87Å; M252-L258 HydrophobicContact CE-CD2 3.49Å; M252-L258 VanDerWaalsContact CE-CD2 3.49Å; M252-L258 HydrophobicContact CG-CD2 4.47Å; M252-L258 HydrophobicContact SD-CD2 3.98Å; R253-L258 HydrophobicContact CG-CD1 3.51Å; R253-L258 HydrophobicContact CG-CG 4.17Å; L258-S261 PolarHBondContact O-OG 3.16Å; L258-Y268 HydrophobicContact CD1-CE2 4.23Å; L258-D320 WeakPolarHBondContact CA-OD1 3.34Å; L258-D320 WeakPolarHBondContact CA-OD2 3.49Å; L258-D320 WeakPolarHBondContact CB-OD2 3.47Å; L258-D320 HydrophobicContact CD2-CB 4Å; L258-L324 HydrophobicContact CD1-CD1 4.2Å; L258-L324 HydrophobicContact CD2-CD1 4.16Å; L258-L324 HydrophobicContact CD2-CG 4.25Å
259	K	81	Confident	81.4	Confident	105 Å²	105	61.3 Å²	61.3	46%	0.457	31%	0.314	S	S	.	.	S	Bend	trans	-78	-39	-177.1	-66.1	-178.3	-179.2	-179.2	0	111.8	S261 S262 D316 D320	K259-S261 PolarHBondContact O-N 3.24Å; K259-S262 PolarHBondContact O-OG 2.81Å; K259-S262 VanDerWaalsContact O-OG 3.06Å; K259-D316 HydrophobicContact CB-CB 3.84Å; K259-D316 HydrophobicContact CD-CB 4.43Å; K259-D316 WeakPolarHBondContact CD-OD1 3.47Å; K259-D316 IonicContact NZ-OD1 3.97Å; K259-D320 VanDerWaalsContact N-CG 3.3Å; K259-D320 PolarHBondContact N-OD1 3.36Å; K259-D320 PolarHBondContact N-OD2 3.38Å
260	S	73.4	Confident	81.2	Confident	12 Å²	12	62.1 Å²	62.1	8%	0.084	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-75.9	-9.5	-175.7	123.9	0	0	0	0	112.7	S262 Y268 D320	S260-S262 PolarHBondContact O-N 3.05Å; S260-Y268 WeakPolarHBondContact CB-OH 3.23Å; S260-Y268 PolarHBondContact OG-OH 3.43Å; S260-D320 WeakPolarHBondContact CB-OD2 3.37Å; S260-D320 PolarHBondContact N-OD2 2.6Å
261	S	60.9	Low	81	Confident	20 Å²	20	63.2 Å²	63.2	14%	0.14	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-66	-19.6	178.7	63.6	0	0	0	0	113.3	L258 K259 E263 N265	L258-S261 PolarHBondContact O-OG 3.16Å; K259-S261 PolarHBondContact O-N 3.24Å; S261-E263 VanDerWaalsContact C-N 3.34Å; S261-E263 PolarHBondContact O-N 3.42Å; S261-N265 WeakPolarHBondContact O-CA 3.33Å; S261-N265 PolarHBondContact O-N 3.4Å; S261-N265 VanDerWaalsContact O-N 3.08Å
262	S	55.5	Low	81.1	Confident	103 Å²	103	64.9 Å²	64.9	72%	0.72	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-66.7	-27.4	-174.5	56.5	0	0	0	0	114.6	K259 S260	K259-S262 PolarHBondContact O-OG 2.81Å; K259-S262 VanDerWaalsContact O-OG 3.06Å; S260-S262 PolarHBondContact O-N 3.05Å
263	E	60.9	Low	81.4	Confident	108 Å²	108	66 Å²	66	51%	0.505	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-30.4	-171.7	-70.8	-174.8	179.9	0	0	114.6	K227 S261	K227-E263 WeakPolarHBondContact CE-OE2 3.45Å; K227-E263 IonicContact NZ-OE1 3.16Å; K227-E263 PolarHBondContact NZ-OE1 2.89Å; K227-E263 IonicContact NZ-OE2 2.87Å; K227-E263 PolarHBondContact NZ-OE2 2.68Å; S261-E263 VanDerWaalsContact C-N 3.34Å; S261-E263 PolarHBondContact O-N 3.42Å
264	N	64.7	Low	81.5	Confident	95 Å²	95	73.2 Å²	73.2	51%	0.508	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.6	-5.4	-175.7	-78.9	-42.3	0	0	0	114.9	Q228 K266	Q228-N264 PolarHBondContact OE1-ND2 3.24Å; N264-K266 HydrophobicContact CB-CG 4.37Å; N264-K266 PolarHBondContact O-N 3.32Å
265	N	70.4	Confident	81.5	Confident	117 Å²	117	75.1 Å²	75.1	63%	0.626	39%	0.392	S	S	*	.			trans	47.5	20.2	-175	-157.4	29	0	0	0	116.1	S261	S261-N265 WeakPolarHBondContact O-CA 3.33Å; S261-N265 PolarHBondContact O-N 3.4Å; S261-N265 VanDerWaalsContact O-N 3.08Å
266	K	85.5	Confident	81.8	Confident	151 Å²	151	77.3 Å²	77.3	66%	0.657	40%	0.403	S	S	*	.			trans	-78.5	132.8	176.3	-70.7	-178.7	-179	179.8	0	109.6	R253 N264	R253-K266 PolarHBondContact NH1-O 3.5Å; R253-K266 PolarHBondContact NH2-O 3.39Å; N264-K266 HydrophobicContact CB-CG 4.37Å; N264-K266 PolarHBondContact O-N 3.32Å
267	P	91.7	Very high	82.3	Confident	70 Å²	70	72.3 Å²	72.3	46%	0.455	38%	0.376	S	S	.	.			trans	-67.6	147.6	173.2	30.2	-34.2	0	0	0	110.4	E249	E249-P267 WeakPolarHBondContact OE1-CA 3.31Å
268	Y	94.9	Very high	82.8	Confident	2 Å²	2	73.3 Å²	73.3	1%	0.008	39%	0.391	C	S	.	.	S	Bend	trans	-71.2	-47.1	171.5	-57.3	-60.7	0	0	0	109.8	P229 H230 I231 E249 L258 S260 T317 D320 L321 L324	P229-Y268 HydrophobicContact CG-CD1 4.07Å; H230-Y268 CarbonylContact C-O 3.5Å; H230-Y268 WeakPolarHBondContact CA-O 3.38Å; I231-Y268 PolarHBondContact N-O 3.16Å; E249-Y268 VanDerWaalsContact OE1-CD2 3.31Å; E249-Y268 WeakPolarHBondContact OE1-CD2 3.42Å; E249-Y268 PolarHBondContact OE1-N 2.72Å; E249-Y268 PolarHBondContact OE2-N 2.87Å; L258-Y268 HydrophobicContact CD1-CE2 4.23Å; S260-Y268 WeakPolarHBondContact CB-OH 3.23Å; S260-Y268 PolarHBondContact OG-OH 3.43Å; Y268-T317 HydrophobicContact CE1-CG2 3.9Å; Y268-D320 HydrophobicContact CE2-CB 3.84Å; Y268-D320 WeakPolarHBondContact OH-CB 3.35Å; Y268-D320 PolarHBondContact OH-OD2 2.94Å; Y268-L321 HydrophobicContact CD2-CD2 4.05Å; Y268-L321 HydrophobicContact CE2-CD2 4.48Å; Y268-L321 HydrophobicContact CG-CD2 4.1Å; Y268-L324 HydrophobicContact CD2-CD1 3.78Å; Y268-L324 HydrophobicContact CE2-CD1 4.03Å
269	F	95	Very high	83.3	Confident	4 Å²	4	73.1 Å²	73.1	2%	0.018	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	131.3	-177.3	-52.4	-68.9	0	0	0	110.6	I231 F242 L245 I246 E249 L294 L321 L324	I231-F269 HydrophobicContact CB-CD1 3.85Å; I231-F269 HydrophobicContact CB-CE1 4.14Å; I231-F269 HydrophobicContact CD1-CD1 4.28Å; I231-F269 HydrophobicContact CD1-CE1 3.69Å; I231-F269 HydrophobicContact CD1-CZ 4.49Å; I231-F269 HydrophobicContact CG1-CE1 4.49Å; I231-F269 HydrophobicContact CG2-CD1 3.99Å; I231-F269 HydrophobicContact CG2-CE1 4.18Å; I231-F269 WeakPolarHBondContact O-CA 3.39Å; F242-F269 HydrophobicContact CE1-CB 4.37Å; F242-F269 HydrophobicContact CE2-CD1 4.48Å; F242-F269 HydrophobicContact CZ-CB 4.08Å; L245-F269 HydrophobicContact CB-CD2 4.06Å; L245-F269 HydrophobicContact CB-CE2 4.13Å; L245-F269 HydrophobicContact CB-CG 4.29Å; L245-F269 HydrophobicContact CB-CZ 4.46Å; L245-F269 HydrophobicContact CD1-CD1 4.33Å; L245-F269 HydrophobicContact CD1-CE1 3.92Å; L245-F269 HydrophobicContact CD1-CE2 4.47Å; L245-F269 HydrophobicContact CD1-CZ 3.99Å; L245-F269 HydrophobicContact CD2-CE2 4.16Å; L245-F269 HydrophobicContact CD2-CZ 4.17Å; L245-F269 HydrophobicContact CG-CZ 4.47Å; I246-F269 HydrophobicContact CG1-CB 3.88Å; E249-F269 HydrophobicContact CB-CD2 4.14Å; E249-F269 VanDerWaalsContact OE2-CD2 3.31Å; E249-F269 WeakPolarHBondContact OE2-CD2 3.37Å; E249-F269 PolarHBondContact OE2-N 3.03Å; F269-L294 HydrophobicContact CE1-CD2 4.08Å; F269-L321 HydrophobicContact CZ-CD2 4.19Å; F269-L324 HydrophobicContact CE2-CB 4.44Å; F269-L324 HydrophobicContact CE2-CD1 4.04Å
270	G	89	Confident	84.2	Confident	20 Å²	20	68.1 Å²	68.1	21%	0.206	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	-137.7	-176.9	0	0	0	0	0	116	I231	I231-G270 PolarHBondContact O-N 3.24Å; I231-G270 VanDerWaalsContact O-N 3.08Å
271	H	86.7	Confident	85.3	Confident	157 Å²	157	67.5 Å²	67.5	73%	0.727	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-50.1	141.3	-162	-65.9	-74.1	0	0	0	113.6	P232 K233	P232-H271 VanDerWaalsContact CA-O 3.26Å; P232-H271 WeakPolarHBondContact CA-O 3.25Å; P232-H271 WeakPolarHBondContact CB-O 3.5Å; K233-H271 PolarHBondContact N-O 3.44Å
272	A	92.3	Very high	87.1	Confident	67 Å²	67	68 Å²	68	55%	0.554	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.3	147.1	174.4	0	0	0	0	0	111.1	K233	K233-A272 HydrophobicContact CB-CB 4.06Å; K233-A272 CarbonylContact O-C 3.45Å; K233-A272 VanDerWaalsContact O-CA 3.27Å; K233-A272 WeakPolarHBondContact O-CA 3.32Å
273	V	93.3	Very high	89.1	Confident	23 Å²	23	63.4 Å²	63.4	14%	0.139	33%	0.332	C	S	.	.			trans	-117.8	163.2	174.1	-66.3	0	0	0	0	110.6	P232 K233 Y234 Y275 L297	P232-V273 HydrophobicContact CB-CB 4.38Å; P232-V273 HydrophobicContact CB-CG1 3.62Å; P232-V273 HydrophobicContact CB-CG2 3.96Å; P232-V273 HydrophobicContact CG-CG1 4.08Å; P232-V273 HydrophobicContact CG-CG2 3.91Å; K233-V273 PolarHBondContact O-N 3.06Å; Y234-V273 HydrophobicContact CD1-CG2 3.55Å; Y234-V273 HydrophobicContact CE1-CG2 3.73Å; Y234-V273 HydrophobicContact CG-CG2 4.3Å; V273-Y275 HydrophobicContact CB-CD1 4.15Å; V273-Y275 HydrophobicContact CB-CE1 3.93Å; V273-Y275 HydrophobicContact CG1-CE1 4.17Å; V273-L297 HydrophobicContact CG1-CD2 3.71Å
274	H	90.5	Very high	90.9	Very high	183 Å²	183	58.2 Å²	58.2	85%	0.847	31%	0.308	S	S	*	.	S	Bend	trans	-108.5	2.4	-175	-64.7	-54.6	0	0	0	114.4
275	Y	86.4	Confident	92.4	Very high	117 Å²	117	55.6 Å²	55.6	46%	0.459	30%	0.295	S	S	.	.			trans	-111.8	164.6	179.8	51.9	-91.3	0	0	0	111.6	P235 V273 L297	P235-Y275 WeakPolarHBondContact CD-O 3.34Å; V273-Y275 HydrophobicContact CB-CD1 4.15Å; V273-Y275 HydrophobicContact CB-CE1 3.93Å; V273-Y275 HydrophobicContact CG1-CE1 4.17Å; Y275-L297 HydrophobicContact CE1-CD2 4.22Å; Y275-L297 HydrophobicContact CE2-CD1 3.77Å; Y275-L297 HydrophobicContact CE2-CD2 3.9Å; Y275-L297 HydrophobicContact CE2-CG 4.4Å; Y275-L297 WeakPolarHBondContact OH-CD1 3.26Å; Y275-L297 WeakPolarHBondContact OH-CD2 2.98Å; Y275-L297 VanDerWaalsContact OH-CG 3.26Å; Y275-L297 WeakPolarHBondContact OH-CG 3.15Å
276	Q	89.9	Confident	93.6	Very high	120 Å²	120	56.8 Å²	56.8	56%	0.561	30%	0.297	S	S	*	.			trans	-107.9	157.1	177.9	-59	-177.3	-10.2	0	0	109.7	P235 Y236	P235-Q276 HydrophobicContact CG-CG 4.17Å; Y236-Q276 HydrophobicContact CD1-CB 4.4Å; Y236-Q276 HydrophobicContact CD1-CG 3.92Å; Y236-Q276 HydrophobicContact CE1-CB 4.01Å; Y236-Q276 HydrophobicContact CE1-CG 4Å
277	I	94.1	Very high	94.1	Very high	20 Å²	20	53 Å²	53	10%	0.103	28%	0.28	C	S	.	.			trans	-120.4	131.4	175.1	-66.3	174.1	0	0	0	105.7	Y234 D279 H281 I295 F299	Y234-I277 HydrophobicContact CD1-CD1 4.48Å; Y234-I277 HydrophobicContact CE1-CD1 3.42Å; Y234-I277 VanDerWaalsContact CE1-CD1 3.42Å; Y234-I277 HydrophobicContact CE1-CG1 3.98Å; Y234-I277 VanDerWaalsContact CZ-CD1 3.5Å; Y234-I277 WeakPolarHBondContact OH-CD1 3.5Å; I277-D279 HydrophobicContact CG2-CB 4.45Å; I277-D279 PolarHBondContact O-N 2.84Å; I277-H281 PolarHBondContact O-CE1 2.95Å; I277-I295 HydrophobicContact CD1-CD1 4.45Å; I277-I295 HydrophobicContact CD1-CG2 3.72Å; I277-I295 HydrophobicContact CG2-CD1 4.15Å; I277-F299 HydrophobicContact CD1-CE1 3.8Å; I277-F299 HydrophobicContact CD1-CZ 4.08Å; I277-F299 HydrophobicContact CG2-CZ 3.97Å
278	G	95.5	Very high	94.3	Very high	40 Å²	40	52.7 Å²	52.7	41%	0.412	29%	0.291	S	S	.	.			trans	-75.4	119.9	170.3	0	0	0	0	0	108.9
279	D	98.3	Very high	94.3	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	29%	0.293	C	S	.	.	S	Bend	trans	-163.4	174.8	179.4	-175.4	7.4	0	0	0	107.4	L189 L220 I277 H281 M282 H293	L189-D279 WeakPolarHBondContact CD1-O 3.39Å; L189-D279 VanDerWaalsContact CD2-C 3.47Å; L220-D279 HydrophobicContact CD2-CB 4.35Å; L220-D279 WeakPolarHBondContact CD2-OD2 3.18Å; I277-D279 HydrophobicContact CG2-CB 4.45Å; I277-D279 PolarHBondContact O-N 2.84Å; D279-H281 PolarHBondContact O-N 2.75Å; D279-M282 WeakPolarHBondContact O-CB 3.13Å; D279-M282 WeakPolarHBondContact O-CG 3.39Å; D279-M282 PolarHBondContact O-N 3.36Å; D279-H293 IonicContact OD2-CD2 3.47Å; D279-H293 IonicContact OD2-CE1 2.58Å; D279-H293 PolarHBondContact OD2-CE1 3.47Å; D279-H293 IonicContact OD2-NE2 2.96Å; D279-H293 PolarHBondContact OD2-NE2 2.67Å
280	D	98.8	Very high	94.4	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-17.6	-171.1	-83.5	-33.2	0	0	0	115.4	F174 S192 L220 P283 F284	F174-D280 WeakPolarHBondContact CB-OD2 3.15Å; F174-D280 HydrophobicContact CD2-CB 3.59Å; F174-D280 WeakPolarHBondContact CD2-OD2 3.28Å; F174-D280 HydrophobicContact CE2-CB 3.77Å; F174-D280 HydrophobicContact CG-CB 4.22Å; F174-D280 WeakPolarHBondContact CG-OD2 3.42Å; S192-D280 VanDerWaalsContact CB-O 3.31Å; S192-D280 WeakPolarHBondContact CB-O 3.3Å; S192-D280 WeakPolarHBondContact CB-OD1 3.28Å; S192-D280 PolarHBondContact OG-OD1 3.36Å; L220-D280 HydrophobicContact CD1-CB 4.19Å; L220-D280 HydrophobicContact CD2-CB 3.97Å; D280-P283 WeakPolarHBondContact O-CD 3.33Å; D280-F284 VanDerWaalsContact O-CD2 3.28Å; D280-F284 WeakPolarHBondContact O-CD2 3.4Å
281	H	98.1	Very high	94.8	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-26.5	175.3	66.6	-68.9	0	0	0	112.6	L218 L220 Y236 I277 D279 F284 V285 V291 H293	L218-H281 HydrophobicContact CD2-CB 4.43Å; L220-H281 HydrophobicContact CD2-CB 3.62Å; L220-H281 VanDerWaalsContact CD2-N 3.31Å; Y236-H281 AromaticContact CD2-CD2 3.96Å; Y236-H281 AromaticContact CE1-NE2 3.62Å; Y236-H281 AromaticContact CE2-CD2 3.6Å; Y236-H281 AromaticContact CE2-NE2 3.39Å; Y236-H281 WeakPolarHBondContact CE2-NE2 3.45Å; Y236-H281 AromaticContact CZ-CD2 3.87Å; Y236-H281 AromaticContact CZ-NE2 3.14Å; Y236-H281 PolarHBondContact OH-NE2 2.78Å; I277-H281 PolarHBondContact O-CE1 2.95Å; D279-H281 PolarHBondContact O-N 2.75Å; H281-F284 WeakPolarHBondContact O-CA 3.24Å; H281-F284 WeakPolarHBondContact O-CB 3.32Å; H281-F284 PolarHBondContact O-N 3.25Å; H281-V285 PolarHBondContact O-N 3.25Å; H281-V291 HydrophobicContact CB-CG1 3.77Å; H281-V291 HydrophobicContact CB-CG2 4Å; H281-H293 AromaticContact CE1-CE1 3.21Å; H281-H293 PolarHBondContact CE1-CE1 2.64Å; H281-H293 AromaticContact CE1-ND1 3.14Å; H281-H293 PolarHBondContact CE1-ND1 2.98Å; H281-H293 AromaticContact ND1-CE1 3.46Å; H281-H293 PolarHBondContact ND1-CE1 2.79Å; H281-H293 AromaticContact ND1-ND1 3.49Å; H281-H293 PolarHBondContact ND1-ND1 3.35Å; H281-H293 AromaticContact NE2-ND1 3.54Å
282	M	97.4	Very high	95.4	Very high	31 Å²	31	47 Å²	47	15%	0.153	26%	0.264	C	S	.	.	H	α-helix	trans	-57.7	-46.6	-171.9	-70.6	-61.3	-64.2	0	0	113.1	L189 D279 F284 V285 E286	L189-M282 HydrophobicContact CD1-CB 4.42Å; D279-M282 WeakPolarHBondContact O-CB 3.13Å; D279-M282 WeakPolarHBondContact O-CG 3.39Å; D279-M282 PolarHBondContact O-N 3.36Å; M282-F284 PolarHBondContact O-N 2.85Å; M282-F284 VanDerWaalsContact O-N 3.08Å; M282-V285 PolarHBondContact O-N 2.81Å; M282-E286 WeakPolarHBondContact O-CG 3.36Å; M282-E286 PolarHBondContact O-N 3.38Å
283	P	97.9	Very high	95.6	Very high	5 Å²	5	43.8 Å²	43.8	3%	0.032	24%	0.238	C	C	.	.	H	α-helix	trans	-60.5	-21.8	176.2	-26	36.8	0	0	0	114.8	L189 R193 A196 D280 K287	L189-P283 HydrophobicContact CD1-CG 4.4Å; R193-P283 HydrophobicContact CB-CG 4.38Å; R193-P283 HydrophobicContact CG-CB 4.41Å; R193-P283 HydrophobicContact CG-CG 3.71Å; A196-P283 HydrophobicContact CB-CB 3.68Å; D280-P283 WeakPolarHBondContact O-CD 3.33Å; P283-K287 WeakPolarHBondContact O-CD 3.45Å; P283-K287 PolarHBondContact O-NZ 2.91Å
284	F	98.1	Very high	95.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-88.9	-43	176.6	-64.4	-95.7	0	0	0	111.5	F174 L195 A196 W199 L212 I215 L218 D280 H281 M282 E286 K287 G288 V289	F174-F284 AromaticContact CE1-CE2 3.72Å; F174-F284 HydrophobicContact CE1-CE2 3.72Å; F174-F284 AromaticContact CE1-CZ 3.79Å; F174-F284 HydrophobicContact CE1-CZ 3.79Å; F174-F284 HydrophobicContact CZ-CD2 4.47Å; F174-F284 AromaticContact CZ-CE2 3.44Å; F174-F284 HydrophobicContact CZ-CE2 3.44Å; F174-F284 VanDerWaalsContact CZ-CE2 3.44Å; F174-F284 AromaticContact CZ-CZ 3.68Å; F174-F284 HydrophobicContact CZ-CZ 3.68Å; L195-F284 HydrophobicContact CB-CZ 4.5Å; L195-F284 HydrophobicContact CD2-CZ 4.47Å; A196-F284 HydrophobicContact CB-CD1 4.1Å; A196-F284 HydrophobicContact CB-CD2 4.08Å; A196-F284 HydrophobicContact CB-CE1 4.01Å; A196-F284 HydrophobicContact CB-CE2 3.98Å; A196-F284 HydrophobicContact CB-CG 4.14Å; A196-F284 HydrophobicContact CB-CZ 3.94Å; W199-F284 HydrophobicContact CE3-CE1 4.33Å; L212-F284 HydrophobicContact CD1-CD1 3.84Å; L212-F284 HydrophobicContact CD1-CE1 4.25Å; I215-F284 HydrophobicContact CD1-CD1 3.82Å; I215-F284 HydrophobicContact CD1-CE1 3.96Å; L218-F284 HydrophobicContact CD2-CB 3.87Å; L218-F284 HydrophobicContact CD2-CD1 4.25Å; L218-F284 HydrophobicContact CD2-CD2 3.79Å; L218-F284 HydrophobicContact CD2-CE2 4.38Å; L218-F284 HydrophobicContact CD2-CG 3.72Å; D280-F284 VanDerWaalsContact O-CD2 3.28Å; D280-F284 WeakPolarHBondContact O-CD2 3.4Å; H281-F284 WeakPolarHBondContact O-CA 3.24Å; H281-F284 WeakPolarHBondContact O-CB 3.32Å; H281-F284 PolarHBondContact O-N 3.25Å; M282-F284 PolarHBondContact O-N 2.85Å; M282-F284 VanDerWaalsContact O-N 3.08Å; F284-E286 VanDerWaalsContact C-N 3.29Å; F284-E286 PolarHBondContact O-N 3.24Å; F284-K287 CarbonylContact O-C 3.56Å; F284-K287 WeakPolarHBondContact O-CA 3.46Å; F284-K287 PolarHBondContact O-N 3.13Å; F284-G288 PolarHBondContact O-N 2.9Å; F284-V289 HydrophobicContact CB-CB 3.88Å; F284-V289 HydrophobicContact CB-CG1 4.23Å; F284-V289 HydrophobicContact CB-CG2 4.05Å; F284-V289 HydrophobicContact CD1-CG2 4.33Å; F284-V289 WeakPolarHBondContact O-CB 3.17Å; F284-V289 PolarHBondContact O-N 2.88Å; F284-V289 VanDerWaalsContact O-N 3.1Å
285	V	96.3	Very high	96.2	Very high	39 Å²	39	34.1 Å²	34.1	24%	0.236	19%	0.191	C	C	.	.	H	α-helix	trans	-55.8	-45.3	173.8	171.2	0	0	0	0	110.8	Y236 H281 M282 K287 G288 V291	Y236-V285 HydrophobicContact CD2-CG2 4.49Å; H281-V285 PolarHBondContact O-N 3.25Å; M282-V285 PolarHBondContact O-N 2.81Å; V285-K287 PolarHBondContact O-N 3.31Å; V285-G288 PolarHBondContact O-N 2.82Å; V285-V291 HydrophobicContact CG2-CB 4.07Å; V285-V291 HydrophobicContact CG2-CG2 3.66Å
286	E	95.8	Very high	96.7	Very high	142 Å²	142	28.7 Å²	28.7	66%	0.664	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-21.1	177.3	-73.2	172.6	-179.7	0	0	113.7	M282 F284	M282-E286 WeakPolarHBondContact O-CG 3.36Å; M282-E286 PolarHBondContact O-N 3.38Å; F284-E286 VanDerWaalsContact C-N 3.29Å; F284-E286 PolarHBondContact O-N 3.24Å
287	K	95.7	Very high	97	Very high	71 Å²	71	24.4 Å²	24.4	31%	0.309	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	12.7	178.9	-60.3	174	-174.3	56.2	0	112.5	A196 N200 L212 P283 F284 V285	A196-K287 HydrophobicContact CB-CD 4.31Å; N200-K287 HydrophobicContact CB-CD 3.94Å; L212-K287 HydrophobicContact CD1-CD 4.23Å; L212-K287 HydrophobicContact CD2-CB 3.52Å; L212-K287 HydrophobicContact CD2-CD 4.19Å; L212-K287 HydrophobicContact CD2-CG 4.46Å; P283-K287 WeakPolarHBondContact O-CD 3.45Å; P283-K287 PolarHBondContact O-NZ 2.91Å; F284-K287 CarbonylContact O-C 3.56Å; F284-K287 WeakPolarHBondContact O-CA 3.46Å; F284-K287 PolarHBondContact O-N 3.13Å; V285-K287 PolarHBondContact O-N 3.31Å
288	G	95.4	Very high	97.1	Very high	65 Å²	65	28.8 Å²	28.8	67%	0.67	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.6	15.2	173.3	0	0	0	0	0	115.2	F284 V285 P290	F284-G288 PolarHBondContact O-N 2.9Å; V285-G288 PolarHBondContact O-N 2.82Å; G288-P290 WeakPolarHBondContact O-CD 3.07Å
289	V	96.8	Very high	97.2	Very high	10 Å²	10	29.7 Å²	29.7	6%	0.061	17%	0.174	C	C	.	.			trans	-74.4	127.5	176.6	176.7	0	0	0	0	109.8	L212 I215 L218 F284	L212-V289 HydrophobicContact CD1-CG2 3.91Å; L212-V289 HydrophobicContact CD2-CG2 4Å; L212-V289 HydrophobicContact CG-CG2 3.76Å; I215-V289 HydrophobicContact CB-CG1 3.97Å; I215-V289 HydrophobicContact CD1-CG1 4.2Å; I215-V289 HydrophobicContact CD1-CG2 4.2Å; I215-V289 HydrophobicContact CG2-CG1 3.49Å; I215-V289 VanDerWaalsContact CG2-CG1 3.49Å; L218-V289 HydrophobicContact CB-CG1 4.05Å; F284-V289 HydrophobicContact CB-CB 3.88Å; F284-V289 HydrophobicContact CB-CG1 4.23Å; F284-V289 HydrophobicContact CB-CG2 4.05Å; F284-V289 HydrophobicContact CD1-CG2 4.33Å; F284-V289 WeakPolarHBondContact O-CB 3.17Å; F284-V289 PolarHBondContact O-N 2.88Å; F284-V289 VanDerWaalsContact O-N 3.1Å
290	P	97	Very high	97.1	Very high	52 Å²	52	30.4 Å²	30.4	34%	0.338	18%	0.178	S	C	.	.			trans	-62.9	134.7	171.1	-21.5	34.1	0	0	0	111.1	D216 L217 L218 D238 G288	D216-P290 WeakPolarHBondContact O-CG 3.23Å; L217-P290 HydrophobicContact CD1-CB 4.12Å; L218-P290 PolarHBondContact N-O 3.35Å; D238-P290 HydrophobicContact CB-CB 4.33Å; G288-P290 WeakPolarHBondContact O-CD 3.07Å
291	V	97.5	Very high	97.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	147.7	-176	164.5	0	0	0	0	111.3	L218 Y236 E237 D238 H281 V285 H293	L218-V291 HydrophobicContact CB-CG2 4.04Å; L218-V291 HydrophobicContact CD2-CG2 4.15Å; L218-V291 HydrophobicContact CG-CG2 4.36Å; L218-V291 CarbonylContact O-C 3.58Å; L218-V291 VanDerWaalsContact O-CA 3.28Å; L218-V291 WeakPolarHBondContact O-CA 3.18Å; Y236-V291 HydrophobicContact CD2-CG1 4.37Å; Y236-V291 HydrophobicContact CE2-CG1 4.42Å; E237-V291 CarbonylContact C-O 3.6Å; E237-V291 WeakPolarHBondContact CA-O 3.48Å; E237-V291 WeakPolarHBondContact CB-O 3.23Å; D238-V291 PolarHBondContact N-O 2.87Å; H281-V291 HydrophobicContact CB-CG1 3.77Å; H281-V291 HydrophobicContact CB-CG2 4Å; V285-V291 HydrophobicContact CG2-CB 4.07Å; V285-V291 HydrophobicContact CG2-CG2 3.66Å; V291-H293 HydrophobicContact CG1-CB 4.05Å
292	L	97.5	Very high	97.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	112.4	163	174.3	62.4	0	0	0	107.2	L217 L218 V219 L220 F242 L245 L294 F328	L217-L292 HydrophobicContact CD1-CB 4.19Å; L217-L292 HydrophobicContact CD2-CB 4.37Å; L218-L292 PolarHBondContact O-N 3Å; V219-L292 CarbonylContact C-O 3.55Å; V219-L292 VanDerWaalsContact CA-O 3.29Å; V219-L292 WeakPolarHBondContact CA-O 3.44Å; V219-L292 HydrophobicContact CG1-CB 4.39Å; V219-L292 HydrophobicContact CG1-CD2 4.04Å; V219-L292 HydrophobicContact CG1-CG 4.25Å; V219-L292 HydrophobicContact CG2-CB 4.26Å; V219-L292 HydrophobicContact CG2-CD2 4.2Å; L220-L292 PolarHBondContact N-O 3.33Å; F242-L292 HydrophobicContact CB-CD1 4.07Å; F242-L292 HydrophobicContact CD2-CD1 3.75Å; F242-L292 HydrophobicContact CG-CD1 4.4Å; L245-L292 HydrophobicContact CD1-CD1 4.21Å; L245-L292 HydrophobicContact CD1-CD2 3.71Å; L245-L292 HydrophobicContact CD1-CG 4.35Å; L245-L292 HydrophobicContact CG-CD2 4.44Å; L292-L294 HydrophobicContact CD1-CD2 3.96Å; L292-L294 HydrophobicContact CD2-CD2 4.26Å; L292-L294 HydrophobicContact CG-CD2 3.78Å; L292-L294 HydrophobicContact CG-CG 4.32Å; L292-F328 HydrophobicContact CD2-CE1 4.1Å; L292-F328 HydrophobicContact CD2-CE2 4.05Å; L292-F328 HydrophobicContact CD2-CZ 3.74Å
293	H	97.9	Very high	97.1	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	98.9	-169.6	-171.9	-172.6	0	0	0	110.5	Y234 Y236 E237 D279 H281 V291 I295	Y234-H293 HydrophobicContact CD2-CB 4.19Å; Y236-H293 HydrophobicContact CE2-CB 3.79Å; Y236-H293 AromaticContact CE2-ND1 3.93Å; Y236-H293 AromaticContact CZ-ND1 3.72Å; Y236-H293 PolarHBondContact OH-ND1 3.46Å; E237-H293 HydrophobicContact CG-CB 4.5Å; E237-H293 WeakPolarHBondContact OE1-CA 3.24Å; E237-H293 PolarHBondContact OE1-N 2.86Å; D279-H293 IonicContact OD2-CD2 3.47Å; D279-H293 IonicContact OD2-CE1 2.58Å; D279-H293 PolarHBondContact OD2-CE1 3.47Å; D279-H293 IonicContact OD2-NE2 2.96Å; D279-H293 PolarHBondContact OD2-NE2 2.67Å; H281-H293 AromaticContact CE1-CE1 3.21Å; H281-H293 PolarHBondContact CE1-CE1 2.64Å; H281-H293 AromaticContact CE1-ND1 3.14Å; H281-H293 PolarHBondContact CE1-ND1 2.98Å; H281-H293 AromaticContact ND1-CE1 3.46Å; H281-H293 PolarHBondContact ND1-CE1 2.79Å; H281-H293 AromaticContact ND1-ND1 3.49Å; H281-H293 PolarHBondContact ND1-ND1 3.35Å; H281-H293 AromaticContact NE2-ND1 3.54Å; V291-H293 HydrophobicContact CG1-CB 4.05Å; H293-I295 VanDerWaalsContact C-N 3.28Å; H293-I295 WeakPolarHBondContact CE1-CG2 3.33Å; H293-I295 WeakPolarHBondContact NE2-CB 3.34Å; H293-I295 WeakPolarHBondContact NE2-CG2 3.41Å; H293-I295 PolarHBondContact O-N 3.21Å; H293-I295 VanDerWaalsContact O-N 3.07Å
294	L	98.2	Very high	97.1	Very high	2 Å²	2	47 Å²	47	1%	0.01	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	67	-177.3	-52.1	-174.1	0	0	0	110.4	V219 L220 L221 D222 L224 I231 L245 F269 L292 I325	V219-L294 HydrophobicContact CG1-CD1 3.73Å; V219-L294 HydrophobicContact CG1-CG 4.08Å; L220-L294 WeakPolarHBondContact O-CA 3.41Å; L220-L294 WeakPolarHBondContact O-CB 3.32Å; L220-L294 PolarHBondContact O-N 3.29Å; L221-L294 HydrophobicContact CD1-CD1 4.22Å; L221-L294 HydrophobicContact CG-CB 4.49Å; L221-L294 HydrophobicContact CG-CD1 4.23Å; D222-L294 PolarHBondContact N-O 3.35Å; L224-L294 WeakPolarHBondContact CD2-O 3.47Å; I231-L294 HydrophobicContact CG2-CD2 4.47Å; L245-L294 HydrophobicContact CD1-CD1 4.45Å; L245-L294 HydrophobicContact CD1-CD2 3.58Å; F269-L294 HydrophobicContact CE1-CD2 4.08Å; L292-L294 HydrophobicContact CD1-CD2 3.96Å; L292-L294 HydrophobicContact CD2-CD2 4.26Å; L292-L294 HydrophobicContact CG-CD2 3.78Å; L292-L294 HydrophobicContact CG-CG 4.32Å; L294-I325 HydrophobicContact CD1-CD1 3.78Å; L294-I325 HydrophobicContact CD1-CG1 3.87Å
295	I	98.2	Very high	97.1	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	27%	0.266	C	S	.	.			trans	-119	130.7	173.4	-164.7	177.7	0	0	0	110.3	D222 L223 Y234 I277 H293 F299	D222-I295 HydrophobicContact CB-CB 4.35Å; D222-I295 HydrophobicContact CB-CD1 4.15Å; D222-I295 HydrophobicContact CB-CG1 4.13Å; D222-I295 VanDerWaalsContact OD2-CD1 3.28Å; D222-I295 WeakPolarHBondContact OD2-CD1 3.17Å; L223-I295 HydrophobicContact CB-CG1 4.22Å; L223-I295 HydrophobicContact CD1-CD1 3.95Å; L223-I295 HydrophobicContact CD1-CG1 4.15Å; L223-I295 HydrophobicContact CG-CD1 4.13Å; L223-I295 HydrophobicContact CG-CG1 4.14Å; Y234-I295 HydrophobicContact CE2-CG2 3.62Å; Y234-I295 VanDerWaalsContact OH-CG2 3.29Å; Y234-I295 WeakPolarHBondContact OH-CG2 3.18Å; Y234-I295 PolarHBondContact OH-O 2.82Å; I277-I295 HydrophobicContact CD1-CD1 4.45Å; I277-I295 HydrophobicContact CD1-CG2 3.72Å; I277-I295 HydrophobicContact CG2-CD1 4.15Å; H293-I295 VanDerWaalsContact C-N 3.28Å; H293-I295 WeakPolarHBondContact CE1-CG2 3.33Å; H293-I295 WeakPolarHBondContact NE2-CB 3.34Å; H293-I295 WeakPolarHBondContact NE2-CG2 3.41Å; H293-I295 PolarHBondContact O-N 3.21Å; H293-I295 VanDerWaalsContact O-N 3.07Å; I295-F299 HydrophobicContact CD1-CD1 4.39Å; I295-F299 HydrophobicContact CD1-CE1 3.54Å; I295-F299 HydrophobicContact CD1-CZ 3.76Å; I295-F299 HydrophobicContact CG1-CD1 4.49Å; I295-F299 HydrophobicContact CG1-CE1 3.96Å
296	P	97.3	Very high	97.2	Very high	4 Å²	4	53.5 Å²	53.5	3%	0.026	28%	0.283	C	S	.	.			trans	-70	160.7	-179.8	29.8	-37.3	0	0	0	112.8	D222 L223 P229 H230 I231 F299 P300	D222-P296 WeakPolarHBondContact O-CD 3.2Å; L223-P296 HydrophobicContact CB-CG 4.06Å; L223-P296 WeakPolarHBondContact O-CG 3.44Å; P229-P296 HydrophobicContact CB-CB 3.71Å; P229-P296 HydrophobicContact CB-CG 4.48Å; H230-P296 CarbonylContact O-C 3.59Å; H230-P296 VanDerWaalsContact O-CA 3.24Å; H230-P296 WeakPolarHBondContact O-CA 3.49Å; I231-P296 HydrophobicContact CG1-CB 4.44Å; P296-F299 VanDerWaalsContact O-CD1 3.23Å; P296-F299 WeakPolarHBondContact O-CD1 3.35Å; P296-P300 HydrophobicContact CG-CG 4.44Å
297	L	95.1	Very high	97.3	Very high	30 Å²	30	48.6 Å²	48.6	16%	0.157	27%	0.267	C	S	.	.	S	Bend	trans	-146.1	124.4	173.4	-179.4	76.7	0	0	0	110.7	H230 P232 V273 Y275	H230-L297 PolarHBondContact O-N 2.95Å; P232-L297 HydrophobicContact CG-CB 3.86Å; P232-L297 HydrophobicContact CG-CD2 3.92Å; V273-L297 HydrophobicContact CG1-CD2 3.71Å; Y275-L297 HydrophobicContact CE1-CD2 4.22Å; Y275-L297 HydrophobicContact CE2-CD1 3.77Å; Y275-L297 HydrophobicContact CE2-CD2 3.9Å; Y275-L297 HydrophobicContact CE2-CG 4.4Å; Y275-L297 WeakPolarHBondContact OH-CD1 3.26Å; Y275-L297 WeakPolarHBondContact OH-CD2 2.98Å; Y275-L297 VanDerWaalsContact OH-CG 3.26Å; Y275-L297 WeakPolarHBondContact OH-CG 3.15Å
298	P	95.7	Very high	97.4	Very high	112 Å²	112	45.2 Å²	45.2	73%	0.727	25%	0.253	S	S	*	.	S	Bend	cis	-61.9	160.5	-5.7	29.8	-36.8	0	0	0	111.9
299	F	97.7	Very high	97.6	Very high	58 Å²	58	44.3 Å²	44.3	25%	0.254	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-56.5	155.7	171.3	-65.6	-8.5	0	0	0	111.1	L223 I277 I295 P296 K301 W303	L223-F299 HydrophobicContact CD1-CB 3.97Å; L223-F299 HydrophobicContact CD1-CD1 3.7Å; L223-F299 HydrophobicContact CD1-CD2 3.72Å; L223-F299 HydrophobicContact CD1-CE1 4.03Å; L223-F299 HydrophobicContact CD1-CE2 4.04Å; L223-F299 HydrophobicContact CD1-CG 3.54Å; L223-F299 HydrophobicContact CD1-CZ 4.19Å; I277-F299 HydrophobicContact CD1-CE1 3.8Å; I277-F299 HydrophobicContact CD1-CZ 4.08Å; I277-F299 HydrophobicContact CG2-CZ 3.97Å; I295-F299 HydrophobicContact CD1-CD1 4.39Å; I295-F299 HydrophobicContact CD1-CE1 3.54Å; I295-F299 HydrophobicContact CD1-CZ 3.76Å; I295-F299 HydrophobicContact CG1-CD1 4.49Å; I295-F299 HydrophobicContact CG1-CE1 3.96Å; P296-F299 VanDerWaalsContact O-CD1 3.23Å; P296-F299 WeakPolarHBondContact O-CD1 3.35Å; F299-K301 PolarHBondContact O-N 3.26Å; F299-W303 HydrophobicContact CB-CB 4.22Å; F299-W303 HydrophobicContact CB-CG 4.32Å; F299-W303 AromaticContact CD2-CD2 3.74Å; F299-W303 HydrophobicContact CD2-CD2 3.74Å; F299-W303 AromaticContact CD2-CE2 3.78Å; F299-W303 HydrophobicContact CD2-CE3 4.07Å; F299-W303 HydrophobicContact CD2-CG 4.12Å; F299-W303 HydrophobicContact CD2-CH2 4.41Å; F299-W303 HydrophobicContact CD2-CZ2 4.1Å; F299-W303 HydrophobicContact CD2-CZ3 4.4Å; F299-W303 HydrophobicContact CE2-CD2 4.46Å; F299-W303 HydrophobicContact CE2-CH2 4.37Å; F299-W303 AromaticContact CE2-CZ2 3.99Å; F299-W303 HydrophobicContact CE2-CZ2 3.99Å
300	P	97.8	Very high	97.6	Very high	16 Å²	16	46 Å²	46	10%	0.104	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-49.5	136.8	172.3	-26.9	35.9	0	0	0	110.6	L223 A226 P296 V302 W303	L223-P300 HydrophobicContact CB-CG 4.16Å; L223-P300 WeakPolarHBondContact O-CG 3.35Å; A226-P300 HydrophobicContact CB-CB 3.94Å; A226-P300 HydrophobicContact CB-CG 4Å; P296-P300 HydrophobicContact CG-CG 4.44Å; P300-V302 HydrophobicContact CB-CG2 3.96Å; P300-V302 PolarHBondContact O-N 2.98Å; P300-W303 VanDerWaalsContact O-CB 3.23Å; P300-W303 WeakPolarHBondContact O-CB 3.4Å; P300-W303 PolarHBondContact O-N 3.5Å
301	K	97.7	Very high	97.7	Very high	214 Å²	214	49.4 Å²	49.4	93%	0.93	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-16.9	-178.1	-67.5	-177.8	178.6	178.8	0	114.1	F299	F299-K301 PolarHBondContact O-N 3.26Å
302	V	97.8	Very high	97.7	Very high	24 Å²	24	51.7 Å²	51.7	15%	0.145	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-3.2	-179.5	-63.9	0	0	0	0	113.6	P300 H304 T305 A307 D308 I312	P300-V302 HydrophobicContact CB-CG2 3.96Å; P300-V302 PolarHBondContact O-N 2.98Å; V302-H304 PolarHBondContact O-N 2.93Å; V302-T305 WeakPolarHBondContact CA-OG1 3.21Å; V302-T305 WeakPolarHBondContact O-CB 3.42Å; V302-T305 PolarHBondContact O-N 2.87Å; V302-T305 PolarHBondContact O-OG1 3.19Å; V302-A307 HydrophobicContact CB-CB 4.12Å; V302-A307 HydrophobicContact CG1-CB 3.69Å; V302-D308 HydrophobicContact CB-CB 4.13Å; V302-D308 HydrophobicContact CG2-CB 3.83Å; V302-I312 HydrophobicContact CG1-CG2 4.25Å; V302-I312 HydrophobicContact CG2-CG1 4.13Å
303	W	98.3	Very high	97.7	Very high	99 Å²	99	52.3 Å²	52.3	38%	0.375	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	130.5	-177.7	178.2	66.9	0	0	0	111.5	L223 F299 P300 T305	L223-W303 HydrophobicContact CD1-CG 4.28Å; F299-W303 HydrophobicContact CB-CB 4.22Å; F299-W303 HydrophobicContact CB-CG 4.32Å; F299-W303 AromaticContact CD2-CD2 3.74Å; F299-W303 HydrophobicContact CD2-CD2 3.74Å; F299-W303 AromaticContact CD2-CE2 3.78Å; F299-W303 HydrophobicContact CD2-CE3 4.07Å; F299-W303 HydrophobicContact CD2-CG 4.12Å; F299-W303 HydrophobicContact CD2-CH2 4.41Å; F299-W303 HydrophobicContact CD2-CZ2 4.1Å; F299-W303 HydrophobicContact CD2-CZ3 4.4Å; F299-W303 HydrophobicContact CE2-CD2 4.46Å; F299-W303 HydrophobicContact CE2-CH2 4.37Å; F299-W303 AromaticContact CE2-CZ2 3.99Å; F299-W303 HydrophobicContact CE2-CZ2 3.99Å; P300-W303 VanDerWaalsContact O-CB 3.23Å; P300-W303 WeakPolarHBondContact O-CB 3.4Å; P300-W303 PolarHBondContact O-N 3.5Å; W303-T305 PolarHBondContact O-N 3.15Å
304	H	97.8	Very high	97.6	Very high	48 Å²	48	53.7 Å²	53.7	22%	0.222	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	31.9	-174.2	-64	176.8	0	0	0	115.4	L132 D140 E178 V302	L132-H304 HydrophobicContact CD1-CB 4.14Å; D140-H304 IonicContact OD2-CD2 3.57Å; D140-H304 PolarHBondContact OD2-CD2 3.27Å; D140-H304 IonicContact OD2-NE2 3.49Å; E178-H304 IonicContact OE1-CD2 3.76Å; E178-H304 IonicContact OE1-NE2 3.12Å; E178-H304 PolarHBondContact OE1-NE2 3.4Å; E178-H304 IonicContact OE2-CE1 2.7Å; E178-H304 IonicContact OE2-NE2 3.08Å; V302-H304 PolarHBondContact O-N 2.93Å
305	T	98.1	Very high	97.4	Very high	57 Å²	57	55.5 Å²	55.5	35%	0.35	30%	0.297	S	S	.	.	S	Bend	trans	-125.2	157.3	171.3	77.6	0	0	0	0	111	F135 V302 W303 A307 D308	F135-T305 VanDerWaalsContact CD2-O 3.3Å; F135-T305 WeakPolarHBondContact CD2-O 3.26Å; F135-T305 WeakPolarHBondContact CE2-O 3.38Å; V302-T305 WeakPolarHBondContact CA-OG1 3.21Å; V302-T305 WeakPolarHBondContact O-CB 3.42Å; V302-T305 PolarHBondContact O-N 2.87Å; V302-T305 PolarHBondContact O-OG1 3.19Å; W303-T305 PolarHBondContact O-N 3.15Å; T305-A307 PolarHBondContact O-N 3.49Å; T305-A307 WeakPolarHBondContact OG1-CB 2.86Å; T305-A307 PolarHBondContact OG1-N 3.39Å; T305-D308 PolarHBondContact O-N 2.68Å
306	I	97.7	Very high	97.1	Very high	118 Å²	118	58.7 Å²	58.7	61%	0.605	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-12.4	172.8	63.2	170.3	0	0	0	113.7	P133 N134 D308 N309	P133-I306 WeakPolarHBondContact O-CG2 3.5Å; N134-I306 HydrophobicContact CB-CG2 4.49Å; I306-D308 VanDerWaalsContact C-N 3.27Å; I306-N309 PolarHBondContact O-ND2 2.95Å
307	A	98.2	Very high	97	Very high	39 Å²	39	58.5 Å²	58.5	32%	0.322	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-13	174.1	0	0	0	0	0	112.7	V302 T305 N309 I312	V302-A307 HydrophobicContact CB-CB 4.12Å; V302-A307 HydrophobicContact CG1-CB 3.69Å; T305-A307 PolarHBondContact O-N 3.49Å; T305-A307 WeakPolarHBondContact OG1-CB 2.86Å; T305-A307 PolarHBondContact OG1-N 3.39Å; A307-N309 PolarHBondContact O-N 3.32Å; A307-N309 PolarHBondContact O-ND2 3.28Å; A307-I312 WeakPolarHBondContact O-CG1 3.47Å; A307-I312 WeakPolarHBondContact O-CG2 3.42Å
308	D	98.6	Very high	97	Very high	0 Å²	0	57 Å²	57	0%	0	31%	0.305	C	S	.	.			trans	-76.6	78.7	168.4	-172.2	9.9	0	0	0	109.9	F135 V136 G137 S138 T139 D140 V302 T305 I306	F135-D308 HydrophobicContact CE2-CB 3.92Å; V136-D308 WeakPolarHBondContact CG2-O 3.31Å; G137-D308 WeakPolarHBondContact CA-OD2 3.41Å; G137-D308 PolarHBondContact N-O 2.68Å; S138-D308 WeakPolarHBondContact CA-OD1 3.26Å; S138-D308 WeakPolarHBondContact CB-OD1 3.15Å; S138-D308 PolarHBondContact N-O 3.26Å; S138-D308 PolarHBondContact N-OD1 2.96Å; S138-D308 VanDerWaalsContact N-OD1 3.15Å; S138-D308 PolarHBondContact N-OD2 3.17Å; T139-D308 PolarHBondContact N-OD1 2.91Å; T139-D308 PolarHBondContact N-OD2 3.42Å; T139-D308 VanDerWaalsContact OG1-CG 3.27Å; T139-D308 PolarHBondContact OG1-OD1 3.44Å; T139-D308 PolarHBondContact OG1-OD2 3.36Å; D140-D308 VanDerWaalsContact CB-OD2 3.32Å; D140-D308 WeakPolarHBondContact CB-OD2 3.4Å; D140-D308 PolarHBondContact N-OD2 3.46Å; V302-D308 HydrophobicContact CB-CB 4.13Å; V302-D308 HydrophobicContact CG2-CB 3.83Å; T305-D308 PolarHBondContact O-N 2.68Å; I306-D308 VanDerWaalsContact C-N 3.27Å
309	N	98.5	Very high	96.9	Very high	46 Å²	46	51.9 Å²	51.9	25%	0.246	27%	0.271	C	S	.	.	S	Bend	trans	-138.6	178.2	-176.3	64.8	55.9	0	0	0	111.1	V136 S138 I306 A307 T311 I312	V136-N309 HydrophobicContact CG2-CB 3.93Å; S138-N309 VanDerWaalsContact CB-C 3.49Å; S138-N309 WeakPolarHBondContact OG-CA 3.49Å; S138-N309 PolarHBondContact OG-O 3.04Å; I306-N309 PolarHBondContact O-ND2 2.95Å; A307-N309 PolarHBondContact O-N 3.32Å; A307-N309 PolarHBondContact O-ND2 3.28Å; N309-T311 PolarHBondContact O-N 3.44Å; N309-T311 WeakPolarHBondContact OD1-CB 3.5Å; N309-T311 PolarHBondContact OD1-N 2.91Å; N309-T311 PolarHBondContact OD1-OG1 2.77Å; N309-I312 WeakPolarHBondContact O-CD1 3.34Å; N309-I312 WeakPolarHBondContact O-CG1 3.33Å; N309-I312 PolarHBondContact O-N 3.32Å; N309-I312 VanDerWaalsContact O-N 3.16Å
310	A	98.2	Very high	96.7	Very high	46 Å²	46	49.1 Å²	49.1	38%	0.38	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-56.6	-24.2	-173.2	0	0	0	0	0	114.5	F57 S138 I312 I313	F57-A310 HydrophobicContact CE1-CB 3.98Å; F57-A310 HydrophobicContact CZ-CB 4.44Å; S138-A310 PolarHBondContact OG-N 3.08Å; S138-A310 VanDerWaalsContact OG-N 3.12Å; A310-I312 VanDerWaalsContact C-N 3.3Å; A310-I312 PolarHBondContact O-N 3.43Å; A310-I313 PolarHBondContact O-N 2.73Å
311	T	97.8	Very high	96.7	Very high	123 Å²	123	48.4 Å²	48.4	76%	0.755	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-72.8	-20.4	-176	69.2	0	0	0	0	113.9	N309	N309-T311 PolarHBondContact O-N 3.44Å; N309-T311 WeakPolarHBondContact OD1-CB 3.5Å; N309-T311 PolarHBondContact OD1-N 2.91Å; N309-T311 PolarHBondContact OD1-OG1 2.77Å
312	I	97.2	Very high	96.6	Very high	49 Å²	49	38.2 Å²	38.2	25%	0.251	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-93	-5.3	179.9	61.2	56.8	0	0	0	113.6	T139 V302 A307 N309 A310 D314	T139-I312 HydrophobicContact CG2-CD1 3.69Å; V302-I312 HydrophobicContact CG1-CG2 4.25Å; V302-I312 HydrophobicContact CG2-CG1 4.13Å; A307-I312 WeakPolarHBondContact O-CG1 3.47Å; A307-I312 WeakPolarHBondContact O-CG2 3.42Å; N309-I312 WeakPolarHBondContact O-CD1 3.34Å; N309-I312 WeakPolarHBondContact O-CG1 3.33Å; N309-I312 PolarHBondContact O-N 3.32Å; N309-I312 VanDerWaalsContact O-N 3.16Å; A310-I312 VanDerWaalsContact C-N 3.3Å; A310-I312 PolarHBondContact O-N 3.43Å; I312-D314 PolarHBondContact O-N 2.96Å
313	I	98	Very high	96.4	Very high	12 Å²	12	37.5 Å²	37.5	6%	0.062	21%	0.205	C	C	.	.			trans	-69.1	116.3	-179.8	-66.7	-59.6	0	0	0	109.3	F57 T139 M143 G225 A310 W315	F57-I313 HydrophobicContact CE1-CG1 4.26Å; F57-I313 HydrophobicContact CE2-CD1 4.18Å; F57-I313 HydrophobicContact CE2-CG1 4.1Å; F57-I313 HydrophobicContact CZ-CD1 4.18Å; F57-I313 HydrophobicContact CZ-CG1 3.64Å; T139-I313 HydrophobicContact CG2-CD1 4.21Å; M143-I313 HydrophobicContact CB-CD1 4.3Å; M143-I313 HydrophobicContact CE-CD1 4.02Å; M143-I313 HydrophobicContact CE-CG1 4.28Å; M143-I313 HydrophobicContact CE-CG2 3.44Å; M143-I313 VanDerWaalsContact CE-CG2 3.44Å; G225-I313 WeakPolarHBondContact O-CA 3.18Å; A310-I313 PolarHBondContact O-N 2.73Å; I313-W315 HydrophobicContact CG2-CD2 3.99Å; I313-W315 HydrophobicContact CG2-CE3 4.28Å; I313-W315 HydrophobicContact CG2-CG 4.38Å; I313-W315 HydrophobicContact CG2-CH2 4.33Å; I313-W315 HydrophobicContact CG2-CZ2 4.09Å; I313-W315 HydrophobicContact CG2-CZ3 4.44Å; I313-W315 PolarHBondContact O-N 3.4Å
314	D	95.9	Very high	96.2	Very high	30 Å²	30	32.8 Å²	32.8	16%	0.16	19%	0.188	C	C	.	.			trans	-86.3	100.8	170.2	-170.8	-85	0	0	0	108.5	G225 K227 I312 D316 T317 S318	G225-D314 PolarHBondContact O-N 2.78Å; K227-D314 HydrophobicContact CB-CB 3.78Å; K227-D314 WeakPolarHBondContact CD-OD2 3.33Å; K227-D314 HydrophobicContact CG-CB 4.25Å; K227-D314 WeakPolarHBondContact CG-OD2 3.4Å; I312-D314 PolarHBondContact O-N 2.96Å; D314-D316 VanDerWaalsContact C-N 3.27Å; D314-D316 PolarHBondContact O-N 3.28Å; D314-T317 PolarHBondContact O-N 3.29Å; D314-T317 WeakPolarHBondContact OD1-CB 3.32Å; D314-T317 PolarHBondContact OD1-N 2.67Å; D314-T317 PolarHBondContact OD1-OG1 2.79Å; D314-S318 WeakPolarHBondContact O-CB 3.48Å; D314-S318 PolarHBondContact O-N 3.41Å; D314-S318 PolarHBondContact O-OG 3.37Å
315	W	94.2	Very high	96.2	Very high	40 Å²	40	30.6 Å²	30.6	15%	0.152	18%	0.178	C	C	.	.	H	α-helix	trans	-63.3	-31.9	-175.2	-73.4	103	0	0	0	113.6	K50 L53 E54 F57 M143 I313 V319	K50-W315 HydrophobicContact CD-CB 4.02Å; K50-W315 HydrophobicContact CD-CG 4.36Å; K50-W315 VanDerWaalsContact CE-CG 3.45Å; K50-W315 HydrophobicContact CG-CB 4.42Å; K50-W315 HydrophobicContact CG-CD2 4.49Å; K50-W315 HydrophobicContact CG-CE3 4.26Å; L53-W315 HydrophobicContact CD2-CZ3 4.35Å; L53-W315 HydrophobicContact CG-CZ3 4.25Å; E54-W315 VanDerWaalsContact CA-CH2 3.44Å; E54-W315 HydrophobicContact CB-CE3 4.44Å; E54-W315 HydrophobicContact CB-CH2 3.51Å; E54-W315 HydrophobicContact CB-CZ2 4.01Å; E54-W315 HydrophobicContact CB-CZ3 3.73Å; E54-W315 HydrophobicContact CG-CH2 3.62Å; E54-W315 HydrophobicContact CG-CZ2 3.65Å; E54-W315 HydrophobicContact CG-CZ3 4.31Å; F57-W315 HydrophobicContact CB-CH2 4.08Å; F57-W315 AromaticContact CD1-CH2 3.83Å; F57-W315 HydrophobicContact CD1-CH2 3.83Å; F57-W315 HydrophobicContact CD1-CZ2 4.2Å; F57-W315 HydrophobicContact CG-CH2 4.05Å; M143-W315 HydrophobicContact CE-CH2 4.16Å; M143-W315 HydrophobicContact CE-CZ3 3.94Å; I313-W315 HydrophobicContact CG2-CD2 3.99Å; I313-W315 HydrophobicContact CG2-CE3 4.28Å; I313-W315 HydrophobicContact CG2-CG 4.38Å; I313-W315 HydrophobicContact CG2-CH2 4.33Å; I313-W315 HydrophobicContact CG2-CZ2 4.09Å; I313-W315 HydrophobicContact CG2-CZ3 4.44Å; I313-W315 PolarHBondContact O-N 3.4Å; W315-V319 WeakPolarHBondContact O-CB 3.41Å; W315-V319 WeakPolarHBondContact O-CG2 3.48Å; W315-V319 PolarHBondContact O-N 3.1Å
316	D	92.3	Very high	96	Very high	67 Å²	67	27.9 Å²	27.9	36%	0.358	16%	0.161	S	C	.	.	H	α-helix	trans	-71.5	-45.2	179.2	-75.7	-22.4	0	0	0	110.3	K259 D314 S318 V319 D320	K259-D316 HydrophobicContact CB-CB 3.84Å; K259-D316 HydrophobicContact CD-CB 4.43Å; K259-D316 WeakPolarHBondContact CD-OD1 3.47Å; K259-D316 IonicContact NZ-OD1 3.97Å; D314-D316 VanDerWaalsContact C-N 3.27Å; D314-D316 PolarHBondContact O-N 3.28Å; D316-S318 PolarHBondContact O-N 3.13Å; D316-V319 PolarHBondContact O-N 3.33Å; D316-D320 WeakPolarHBondContact O-CB 3.3Å; D316-D320 PolarHBondContact O-N 3.45Å
317	T	94.3	Very high	95.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-59.1	-45.5	171.5	-59.7	0	0	0	0	111.8	A226 Q228 P229 Y268 D314 V319 D320 L321	A226-T317 WeakPolarHBondContact O-CG2 3.45Å; Q228-T317 PolarHBondContact N-OG1 3.09Å; P229-T317 HydrophobicContact CG-CG2 4.02Å; Y268-T317 HydrophobicContact CE1-CG2 3.9Å; D314-T317 PolarHBondContact O-N 3.29Å; D314-T317 WeakPolarHBondContact OD1-CB 3.32Å; D314-T317 PolarHBondContact OD1-N 2.67Å; D314-T317 PolarHBondContact OD1-OG1 2.79Å; T317-V319 VanDerWaalsContact C-N 3.32Å; T317-V319 PolarHBondContact O-N 2.77Å; T317-D320 PolarHBondContact O-N 3.15Å; T317-L321 HydrophobicContact CG2-CD1 4.17Å; T317-L321 HydrophobicContact CG2-CG 4.47Å; T317-L321 WeakPolarHBondContact O-CG 3.1Å; T317-L321 PolarHBondContact O-N 3.35Å
318	S	95.8	Very high	95.5	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-63.5	-39.4	-179.2	-57.1	0	0	0	0	111.9	D314 D316 L322	D314-S318 WeakPolarHBondContact O-CB 3.48Å; D314-S318 PolarHBondContact O-N 3.41Å; D314-S318 PolarHBondContact O-OG 3.37Å; D316-S318 PolarHBondContact O-N 3.13Å; S318-L322 VanDerWaalsContact O-CB 3.32Å; S318-L322 WeakPolarHBondContact O-CB 3.46Å; S318-L322 PolarHBondContact O-N 3.33Å
319	V	94.2	Very high	95.3	Very high	4 Å²	4	20.5 Å²	20.5	2%	0.024	12%	0.117	C	C	.	.	H	α-helix	trans	-68.3	-42.7	174.3	167.5	0	0	0	0	111	V49 K50 L53 W315 D316 T317 L321 L322 L323	V49-V319 HydrophobicContact CG2-CG1 3.71Å; V49-V319 HydrophobicContact CG2-CG2 4.19Å; K50-V319 HydrophobicContact CB-CG2 4.06Å; L53-V319 HydrophobicContact CD2-CG2 4.33Å; W315-V319 WeakPolarHBondContact O-CB 3.41Å; W315-V319 WeakPolarHBondContact O-CG2 3.48Å; W315-V319 PolarHBondContact O-N 3.1Å; D316-V319 PolarHBondContact O-N 3.33Å; T317-V319 VanDerWaalsContact C-N 3.32Å; T317-V319 PolarHBondContact O-N 2.77Å; V319-L321 PolarHBondContact O-N 2.89Å; V319-L322 WeakPolarHBondContact O-CB 3.49Å; V319-L322 PolarHBondContact O-N 3.27Å; V319-L323 HydrophobicContact CG1-CD1 4.26Å; V319-L323 HydrophobicContact CG1-CG 4.35Å; V319-L323 VanDerWaalsContact O-CG 3.31Å; V319-L323 WeakPolarHBondContact O-CG 3.31Å; V319-L323 PolarHBondContact O-N 3.4Å
320	D	93.6	Very high	94.9	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-59.6	-47.8	178.3	-73.8	-7.1	0	0	0	111.2	L258 K259 S260 Y268 D316 T317 L323 L324	L258-D320 WeakPolarHBondContact CA-OD1 3.34Å; L258-D320 WeakPolarHBondContact CA-OD2 3.49Å; L258-D320 WeakPolarHBondContact CB-OD2 3.47Å; L258-D320 HydrophobicContact CD2-CB 4Å; K259-D320 VanDerWaalsContact N-CG 3.3Å; K259-D320 PolarHBondContact N-OD1 3.36Å; K259-D320 PolarHBondContact N-OD2 3.38Å; S260-D320 WeakPolarHBondContact CB-OD2 3.37Å; S260-D320 PolarHBondContact N-OD2 2.6Å; Y268-D320 HydrophobicContact CE2-CB 3.84Å; Y268-D320 WeakPolarHBondContact OH-CB 3.35Å; Y268-D320 PolarHBondContact OH-OD2 2.94Å; D316-D320 WeakPolarHBondContact O-CB 3.3Å; D316-D320 PolarHBondContact O-N 3.45Å; T317-D320 PolarHBondContact O-N 3.15Å; D320-L323 PolarHBondContact O-N 3.16Å; D320-L324 WeakPolarHBondContact O-CB 3.38Å; D320-L324 WeakPolarHBondContact O-CD1 3.21Å; D320-L324 WeakPolarHBondContact O-CG 3.34Å; D320-L324 PolarHBondContact O-N 3.06Å
321	L	96.1	Very high	94.5	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-63.4	-43.1	175.8	-68.7	176.4	0	0	0	112.5	L224 P229 I231 Y268 F269 T317 V319 L323 L324 I325	L224-L321 HydrophobicContact CB-CD1 4.44Å; L224-L321 HydrophobicContact CD1-CD1 4.49Å; L224-L321 HydrophobicContact CD2-CD1 4.15Å; P229-L321 HydrophobicContact CG-CD1 4.02Å; I231-L321 HydrophobicContact CD1-CD2 4.41Å; Y268-L321 HydrophobicContact CD2-CD2 4.05Å; Y268-L321 HydrophobicContact CE2-CD2 4.48Å; Y268-L321 HydrophobicContact CG-CD2 4.1Å; F269-L321 HydrophobicContact CZ-CD2 4.19Å; T317-L321 HydrophobicContact CG2-CD1 4.17Å; T317-L321 HydrophobicContact CG2-CG 4.47Å; T317-L321 WeakPolarHBondContact O-CG 3.1Å; T317-L321 PolarHBondContact O-N 3.35Å; V319-L321 PolarHBondContact O-N 2.89Å; L321-L323 VanDerWaalsContact C-N 3.3Å; L321-L323 PolarHBondContact O-N 3.47Å; L321-L324 PolarHBondContact O-N 3.12Å; L321-I325 WeakPolarHBondContact O-CB 3.49Å; L321-I325 WeakPolarHBondContact O-CG1 3.42Å; L321-I325 PolarHBondContact O-N 3.17Å
322	L	96.2	Very high	94.2	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-54	-47.9	173.5	164.5	65.3	0	0	0	111.5	V49 L53 I147 K150 I151 M154 S318 V319 E326	V49-L322 HydrophobicContact CB-CD2 4.23Å; V49-L322 HydrophobicContact CG2-CD2 3.89Å; L53-L322 HydrophobicContact CD1-CD2 4.45Å; L53-L322 HydrophobicContact CD2-CD2 4.14Å; I147-L322 HydrophobicContact CG1-CB 4.42Å; I147-L322 HydrophobicContact CG2-CB 4.43Å; I147-L322 HydrophobicContact CG2-CD1 4.07Å; K150-L322 HydrophobicContact CB-CD1 3.89Å; K150-L322 HydrophobicContact CB-CD2 4.21Å; K150-L322 HydrophobicContact CG-CD1 3.88Å; K150-L322 HydrophobicContact CG-CD2 3.49Å; K150-L322 VanDerWaalsContact CG-CD2 3.49Å; K150-L322 HydrophobicContact CG-CG 4.34Å; I151-L322 HydrophobicContact CD1-CD1 4.45Å; I151-L322 HydrophobicContact CG1-CD1 3.66Å; M154-L322 HydrophobicContact SD-CD1 4.04Å; M154-L322 HydrophobicContact SD-CD2 4.09Å; M154-L322 HydrophobicContact SD-CG 4.13Å; S318-L322 VanDerWaalsContact O-CB 3.32Å; S318-L322 WeakPolarHBondContact O-CB 3.46Å; S318-L322 PolarHBondContact O-N 3.33Å; V319-L322 WeakPolarHBondContact O-CB 3.49Å; V319-L322 PolarHBondContact O-N 3.27Å; L322-E326 VanDerWaalsContact O-CB 3.28Å; L322-E326 WeakPolarHBondContact O-CB 3.42Å; L322-E326 PolarHBondContact O-N 3Å
323	L	93.4	Very high	93.9	Very high	9 Å²	9	12.2 Å²	12.2	5%	0.047	6%	0.059	C	C	.	.	H	α-helix	trans	-68.6	-38.7	-178.8	-65.6	-173.6	0	0	0	111.9	L44 V49 M154 M252 V319 D320 L321 L327	L44-L323 HydrophobicContact CD2-CD2 3.93Å; V49-L323 HydrophobicContact CG2-CD2 4.29Å; M154-L323 HydrophobicContact CE-CD2 3.57Å; M252-L323 HydrophobicContact CE-CB 3.73Å; M252-L323 HydrophobicContact CE-CD1 4.3Å; V319-L323 HydrophobicContact CG1-CD1 4.26Å; V319-L323 HydrophobicContact CG1-CG 4.35Å; V319-L323 VanDerWaalsContact O-CG 3.31Å; V319-L323 WeakPolarHBondContact O-CG 3.31Å; V319-L323 PolarHBondContact O-N 3.4Å; D320-L323 PolarHBondContact O-N 3.16Å; L321-L323 VanDerWaalsContact C-N 3.3Å; L321-L323 PolarHBondContact O-N 3.47Å; L323-L327 WeakPolarHBondContact O-CB 3.44Å; L323-L327 PolarHBondContact O-N 3.47Å
324	L	94.5	Very high	93.3	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-62.6	-46	176.1	-77.1	161	0	0	0	111.9	L248 E249 M252 L258 Y268 F269 D320 L321 L327 F328	L248-L324 HydrophobicContact CB-CD2 4.47Å; E249-L324 VanDerWaalsContact CA-CD2 3.49Å; E249-L324 HydrophobicContact CB-CD2 3.86Å; M252-L324 HydrophobicContact CG-CD2 4.3Å; M252-L324 HydrophobicContact SD-CD2 3.38Å; M252-L324 WeakPolarHBondContact SD-CD2 3.36Å; M252-L324 HydrophobicContact SD-CG 3.76Å; L258-L324 HydrophobicContact CD1-CD1 4.2Å; L258-L324 HydrophobicContact CD2-CD1 4.16Å; L258-L324 HydrophobicContact CD2-CG 4.25Å; Y268-L324 HydrophobicContact CD2-CD1 3.78Å; Y268-L324 HydrophobicContact CE2-CD1 4.03Å; F269-L324 HydrophobicContact CE2-CB 4.44Å; F269-L324 HydrophobicContact CE2-CD1 4.04Å; D320-L324 WeakPolarHBondContact O-CB 3.38Å; D320-L324 WeakPolarHBondContact O-CD1 3.21Å; D320-L324 WeakPolarHBondContact O-CG 3.34Å; D320-L324 PolarHBondContact O-N 3.06Å; L321-L324 PolarHBondContact O-N 3.12Å; L324-L327 PolarHBondContact O-N 2.96Å; L324-F328 WeakPolarHBondContact O-CB 3.42Å; L324-F328 PolarHBondContact O-N 3.2Å
325	I	96.6	Very high	92.6	Very high	2 Å²	2	15 Å²	15	1%	0.01	7%	0.071	C	C	.	.	H	α-helix	trans	-71.3	-39.8	-179.6	-60.3	165.9	0	0	0	110.3	I147 I151 L221 L224 L294 L321 L327 F328 V329	I147-I325 HydrophobicContact CG2-CD1 4.23Å; I151-I325 HydrophobicContact CD1-CB 4Å; I151-I325 HydrophobicContact CD1-CG2 3.5Å; L221-I325 HydrophobicContact CD2-CD1 3.75Å; L221-I325 HydrophobicContact CG-CD1 4.17Å; L224-I325 HydrophobicContact CD1-CD1 4.42Å; L294-I325 HydrophobicContact CD1-CD1 3.78Å; L294-I325 HydrophobicContact CD1-CG1 3.87Å; L321-I325 WeakPolarHBondContact O-CB 3.49Å; L321-I325 WeakPolarHBondContact O-CG1 3.42Å; L321-I325 PolarHBondContact O-N 3.17Å; I325-L327 VanDerWaalsContact C-N 3.3Å; I325-L327 PolarHBondContact O-N 2.92Å; I325-F328 WeakPolarHBondContact O-CB 3.08Å; I325-F328 PolarHBondContact O-N 2.96Å; I325-V329 VanDerWaalsContact O-CG2 3.28Å; I325-V329 WeakPolarHBondContact O-CG2 3.46Å; I325-V329 PolarHBondContact O-N 2.94Å
326	E	94.4	Very high	91.2	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-58.9	-44	173.7	-170.1	-106.6	-156.5	0	0	111.6	R47 I151 M154 L155 L322 V329 R330	R47-E326 IonicContact NH1-OE1 2.99Å; R47-E326 PolarHBondContact NH1-OE1 2.68Å; I151-E326 HydrophobicContact CG1-CB 4.14Å; M154-E326 HydrophobicContact CB-CG 4.13Å; M154-E326 HydrophobicContact CE-CB 4.01Å; M154-E326 HydrophobicContact CE-CG 3.68Å; M154-E326 HydrophobicContact SD-CG 4.49Å; L155-E326 HydrophobicContact CD2-CG 3.91Å; L155-E326 HydrophobicContact CG-CG 4.29Å; L322-E326 VanDerWaalsContact O-CB 3.28Å; L322-E326 WeakPolarHBondContact O-CB 3.42Å; L322-E326 PolarHBondContact O-N 3Å; E326-V329 PolarHBondContact O-N 3.16Å; E326-R330 WeakPolarHBondContact O-CG 3.5Å; E326-R330 PolarHBondContact O-N 2.93Å; E326-R330 IonicContact OE1-CZ 3.55Å; E326-R330 IonicContact OE1-NE 2.84Å; E326-R330 PolarHBondContact OE1-NE 3.41Å; E326-R330 IonicContact OE1-NH2 3.17Å; E326-R330 PolarHBondContact OE1-NH2 3.27Å; E326-R330 IonicContact OE2-NE 3.18Å; E326-R330 PolarHBondContact OE2-NE 3.36Å; E326-R330 VanDerWaalsContact OE2-NE 3.16Å
327	L	92	Very high	89.6	Confident	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-66.3	-39	178.6	179.6	60.7	0	0	0	112.3	L40 F41 L248 M252 L323 L324 I325 R330 N331	L40-L327 HydrophobicContact CD2-CD1 3.03Å; L40-L327 HydrophobicContact CG-CD1 3.76Å; F41-L327 HydrophobicContact CD1-CD2 4.37Å; F41-L327 HydrophobicContact CE1-CD2 3.34Å; F41-L327 HydrophobicContact CZ-CD2 3.82Å; L248-L327 HydrophobicContact CB-CD2 4.15Å; L248-L327 HydrophobicContact CD1-CB 4.43Å; L248-L327 HydrophobicContact CD1-CD2 4.36Å; L248-L327 HydrophobicContact CD1-CG 3.94Å; L248-L327 HydrophobicContact CD2-CD1 4.48Å; L248-L327 HydrophobicContact CD2-CD2 3.72Å; L248-L327 HydrophobicContact CD2-CG 3.77Å; L248-L327 HydrophobicContact CG-CD2 4.27Å; L248-L327 HydrophobicContact CG-CG 4.3Å; M252-L327 HydrophobicContact CG-CD2 4.12Å; M252-L327 HydrophobicContact SD-CD2 3.86Å; L323-L327 WeakPolarHBondContact O-CB 3.44Å; L323-L327 PolarHBondContact O-N 3.47Å; L324-L327 PolarHBondContact O-N 2.96Å; I325-L327 VanDerWaalsContact C-N 3.3Å; I325-L327 PolarHBondContact O-N 2.92Å; L327-R330 PolarHBondContact O-N 3.12Å; L327-N331 WeakPolarHBondContact CD1-ND2 3.2Å; L327-N331 WeakPolarHBondContact O-CB 3.46Å; L327-N331 PolarHBondContact O-N 3.17Å; L327-N331 PolarHBondContact O-ND2 3.28Å
328	F	94.3	Very high	89.3	Confident	1 Å²	1	15.1 Å²	15.1	0%	0.004	7%	0.073	C	C	.	.	H	α-helix	trans	-57.5	-50.7	171.4	174.2	-91.9	0	0	0	110.6	L121 L217 V219 S241 M244 L245 L248 L292 L324 I325 R330 N331 Y332	L121-F328 HydrophobicContact CD1-CE1 4.42Å; L217-F328 HydrophobicContact CD2-CE1 4.05Å; L217-F328 HydrophobicContact CD2-CZ 3.7Å; V219-F328 HydrophobicContact CG2-CE1 3.91Å; S241-F328 WeakPolarHBondContact O-CE2 3.38Å; M244-F328 HydrophobicContact CB-CD2 4.3Å; M244-F328 HydrophobicContact CB-CE2 4.18Å; M244-F328 HydrophobicContact CG-CD2 4.14Å; M244-F328 HydrophobicContact CG-CE2 4.36Å; M244-F328 HydrophobicContact SD-CD2 3.73Å; M244-F328 HydrophobicContact SD-CE2 3.8Å; L245-F328 HydrophobicContact CD2-CB 3.71Å; L245-F328 HydrophobicContact CD2-CD2 3.96Å; L245-F328 HydrophobicContact CD2-CG 4.01Å; L245-F328 HydrophobicContact CG-CD2 3.82Å; L245-F328 HydrophobicContact CG-CE2 4.41Å; L245-F328 HydrophobicContact CG-CG 4.3Å; L248-F328 HydrophobicContact CD1-CB 3.99Å; L292-F328 HydrophobicContact CD2-CE1 4.1Å; L292-F328 HydrophobicContact CD2-CE2 4.05Å; L292-F328 HydrophobicContact CD2-CZ 3.74Å; L324-F328 WeakPolarHBondContact O-CB 3.42Å; L324-F328 PolarHBondContact O-N 3.2Å; I325-F328 WeakPolarHBondContact O-CB 3.08Å; I325-F328 PolarHBondContact O-N 2.96Å; F328-R330 VanDerWaalsContact C-N 3.33Å; F328-R330 PolarHBondContact O-N 2.84Å; F328-N331 PolarHBondContact O-N 2.99Å; F328-Y332 HydrophobicContact CE1-CD2 4.17Å; F328-Y332 HydrophobicContact CE2-CD2 4.41Å; F328-Y332 AromaticContact CZ-CD2 3.76Å; F328-Y332 HydrophobicContact CZ-CD2 3.76Å; F328-Y332 HydrophobicContact CZ-CE2 4.31Å; F328-Y332 WeakPolarHBondContact O-CB 3.37Å; F328-Y332 PolarHBondContact O-N 3.25Å
329	V	93.9	Very high	89	Confident	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-60.1	-42.6	178.8	175.9	0	0	0	0	111.4	L121 L123 L155 L169 I325 E326 Y332 L333	L121-V329 HydrophobicContact CD2-CB 4.4Å; L121-V329 HydrophobicContact CD2-CG1 4.12Å; L121-V329 HydrophobicContact CD2-CG2 4.15Å; L123-V329 HydrophobicContact CD1-CG2 3.99Å; L123-V329 HydrophobicContact CD2-CG2 3.87Å; L123-V329 HydrophobicContact CG-CG2 4.35Å; L155-V329 HydrophobicContact CD1-CB 4.14Å; L155-V329 HydrophobicContact CD1-CG1 3.41Å; L155-V329 VanDerWaalsContact CD1-CG1 3.41Å; L169-V329 HydrophobicContact CD1-CG1 4.29Å; L169-V329 HydrophobicContact CD2-CG1 4.11Å; I325-V329 VanDerWaalsContact O-CG2 3.28Å; I325-V329 WeakPolarHBondContact O-CG2 3.46Å; I325-V329 PolarHBondContact O-N 2.94Å; E326-V329 PolarHBondContact O-N 3.16Å; V329-Y332 PolarHBondContact O-N 3.22Å; V329-L333 HydrophobicContact CG1-CD1 3.66Å; V329-L333 HydrophobicContact CG1-CG 4.29Å; V329-L333 WeakPolarHBondContact O-CB 3.19Å; V329-L333 WeakPolarHBondContact O-CG 3.44Å; V329-L333 PolarHBondContact O-N 3.21Å
330	R	90.9	Very high	88.7	Confident	11 Å²	11	16.5 Å²	16.5	4%	0.042	8%	0.08	C	C	.	.	H	α-helix	trans	-60.8	-45.3	175.8	-73.7	-175.7	-179.7	-78.4	-7.8	112.6	M154 L155 E326 L327 F328 H334 I335	M154-R330 PolarHBondContact O-NH2 3.45Å; L155-R330 HydrophobicContact CD2-CG 3.56Å; L155-R330 VanDerWaalsContact CD2-CZ 3.48Å; E326-R330 WeakPolarHBondContact O-CG 3.5Å; E326-R330 PolarHBondContact O-N 2.93Å; E326-R330 IonicContact OE1-CZ 3.55Å; E326-R330 IonicContact OE1-NE 2.84Å; E326-R330 PolarHBondContact OE1-NE 3.41Å; E326-R330 IonicContact OE1-NH2 3.17Å; E326-R330 PolarHBondContact OE1-NH2 3.27Å; E326-R330 IonicContact OE2-NE 3.18Å; E326-R330 PolarHBondContact OE2-NE 3.36Å; E326-R330 VanDerWaalsContact OE2-NE 3.16Å; L327-R330 PolarHBondContact O-N 3.12Å; F328-R330 VanDerWaalsContact C-N 3.33Å; F328-R330 PolarHBondContact O-N 2.84Å; R330-H334 WeakPolarHBondContact O-CA 3.39Å; R330-H334 PolarHBondContact O-N 3.1Å; R330-H334 VanDerWaalsContact O-N 3.08Å; R330-I335 HydrophobicContact CG-CB 4.45Å; R330-I335 PolarHBondContact O-N 2.65Å
331	N	89.2	Confident	88.4	Confident	41 Å²	41	17.5 Å²	17.5	22%	0.219	8%	0.084	C	C	.	.	H	α-helix	trans	-64.6	-47.4	178.6	-86.6	-98	0	0	0	110.4	M244 L327 F328 L333 H334	M244-N331 HydrophobicContact SD-CB 3.92Å; L327-N331 WeakPolarHBondContact CD1-ND2 3.2Å; L327-N331 WeakPolarHBondContact O-CB 3.46Å; L327-N331 PolarHBondContact O-N 3.17Å; L327-N331 PolarHBondContact O-ND2 3.28Å; F328-N331 PolarHBondContact O-N 2.99Å; N331-L333 VanDerWaalsContact C-N 3.34Å; N331-L333 PolarHBondContact O-N 3.22Å; N331-H334 PolarHBondContact O-CD2 3.23Å; N331-H334 PolarHBondContact O-N 2.93Å
332	Y	91.3	Very high	87.9	Confident	38 Å²	38	18.5 Å²	18.5	15%	0.149	9%	0.089	C	C	.	.	H	α-helix	trans	-61.4	-41.7	-179	-159.4	-83.1	0	0	0	112.4	L121 I167 D216 L217 F328 V329	L121-Y332 HydrophobicContact CB-CD1 4.12Å; L121-Y332 HydrophobicContact CB-CE1 4.2Å; L121-Y332 HydrophobicContact CD1-CD1 4.11Å; L121-Y332 HydrophobicContact CD1-CE1 4.09Å; L121-Y332 HydrophobicContact CD1-CG 4.44Å; L121-Y332 HydrophobicContact CD2-CD1 3.89Å; L121-Y332 HydrophobicContact CD2-CG 4.12Å; L121-Y332 HydrophobicContact CG-CD1 4.27Å; I167-Y332 HydrophobicContact CD1-CE1 4.24Å; I167-Y332 HydrophobicContact CG2-CE1 4.44Å; D216-Y332 PolarHBondContact OD2-OH 3.24Å; L217-Y332 HydrophobicContact CB-CE2 4.45Å; L217-Y332 WeakPolarHBondContact CB-OH 3.48Å; L217-Y332 HydrophobicContact CD2-CD2 4.35Å; L217-Y332 HydrophobicContact CD2-CE2 3.74Å; F328-Y332 HydrophobicContact CE1-CD2 4.17Å; F328-Y332 HydrophobicContact CE2-CD2 4.41Å; F328-Y332 AromaticContact CZ-CD2 3.76Å; F328-Y332 HydrophobicContact CZ-CD2 3.76Å; F328-Y332 HydrophobicContact CZ-CE2 4.31Å; F328-Y332 WeakPolarHBondContact O-CB 3.37Å; F328-Y332 PolarHBondContact O-N 3.25Å; V329-Y332 PolarHBondContact O-N 3.22Å
333	L	90.1	Very high	87.4	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	3.1	-177	-60.8	-178.5	0	0	0	114.1	L121 S165 I167 L169 V329 N331 I335	L121-L333 HydrophobicContact CB-CD2 3.94Å; L121-L333 HydrophobicContact CD2-CD1 4.33Å; L121-L333 HydrophobicContact CD2-CD2 4.19Å; L121-L333 HydrophobicContact CD2-CG 4.07Å; S165-L333 VanDerWaalsContact CB-O 3.26Å; S165-L333 WeakPolarHBondContact CB-O 3.32Å; I167-L333 HydrophobicContact CB-CD2 4.11Å; I167-L333 HydrophobicContact CG2-CD2 3.81Å; I167-L333 WeakPolarHBondContact O-CD2 3.3Å; L169-L333 HydrophobicContact CB-CD1 3.87Å; L169-L333 HydrophobicContact CD1-CD1 4.32Å; L169-L333 HydrophobicContact CD2-CD1 4.4Å; L169-L333 HydrophobicContact CG-CD1 4.42Å; V329-L333 HydrophobicContact CG1-CD1 3.66Å; V329-L333 HydrophobicContact CG1-CG 4.29Å; V329-L333 WeakPolarHBondContact O-CB 3.19Å; V329-L333 WeakPolarHBondContact O-CG 3.44Å; V329-L333 PolarHBondContact O-N 3.21Å; N331-L333 VanDerWaalsContact C-N 3.34Å; N331-L333 PolarHBondContact O-N 3.22Å; L333-I335 HydrophobicContact CB-CD1 3.82Å; L333-I335 HydrophobicContact CB-CG1 3.79Å; L333-I335 HydrophobicContact CD1-CD1 3.96Å; L333-I335 PolarHBondContact O-N 3.04Å
334	H	87	Confident	87	Confident	91 Å²	91	20.5 Å²	20.5	42%	0.421	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	44.8	-174.1	-53.5	154.1	0	0	0	112.7	R330 N331 L336	R330-H334 WeakPolarHBondContact O-CA 3.39Å; R330-H334 PolarHBondContact O-N 3.1Å; R330-H334 VanDerWaalsContact O-N 3.08Å; N331-H334 PolarHBondContact O-CD2 3.23Å; N331-H334 PolarHBondContact O-N 2.93Å; H334-L336 PolarHBondContact O-N 3.42Å
335	I	80.8	Confident	86.4	Confident	11 Å²	11	22.1 Å²	22.1	6%	0.056	11%	0.106	C	C	.	.	B	Isolated β-bridge	trans	-82.7	106.7	177.7	-61.6	167.1	0	0	0	108.1	L155 I159 K163 R330 L333	L155-I335 HydrophobicContact CD1-CD1 4.46Å; L155-I335 HydrophobicContact CD2-CD1 4.49Å; I159-I335 HydrophobicContact CG1-CD1 3.7Å; K163-I335 HydrophobicContact CB-CG1 4.2Å; K163-I335 HydrophobicContact CG-CG1 4.25Å; R330-I335 HydrophobicContact CG-CB 4.45Å; R330-I335 PolarHBondContact O-N 2.65Å; L333-I335 HydrophobicContact CB-CD1 3.82Å; L333-I335 HydrophobicContact CB-CG1 3.79Å; L333-I335 HydrophobicContact CD1-CD1 3.96Å; L333-I335 PolarHBondContact O-N 3.04Å
336	L	64.7	Low	85.5	Confident	32 Å²	32	23.8 Å²	23.8	17%	0.168	11%	0.114	C	C	.	.			trans	-73.5	159	174.2	-44.7	-178.1	0	0	0	109.9	L35 L162 K164 H334	L35-L336 HydrophobicContact CD1-CD1 4.19Å; L35-L336 HydrophobicContact CD1-CD2 3.93Å; L35-L336 HydrophobicContact CD2-CB 3.56Å; L35-L336 HydrophobicContact CD2-CD1 3.85Å; L35-L336 HydrophobicContact CD2-CD2 3.2Å; L35-L336 HydrophobicContact CD2-CG 3.64Å; L35-L336 HydrophobicContact CG-CD2 4.13Å; L162-L336 HydrophobicContact CB-CB 4.19Å; L162-L336 WeakPolarHBondContact CB-O 3.08Å; L162-L336 WeakPolarHBondContact CD1-O 3.12Å; L162-L336 PolarHBondContact O-N 2.98Å; K164-L336 HydrophobicContact CD-CD1 3.73Å; K164-L336 HydrophobicContact CD-CG 4.46Å; K164-L336 HydrophobicContact CG-CD1 4.43Å; H334-L336 PolarHBondContact O-N 3.42Å
337	L	57.7	Low	84.7	Confident	60 Å²	60	25.9 Å²	25.9	31%	0.314	13%	0.125	S	C	.	.			trans	-96.5	0	177.6	-93	-177.5	0	0	0	113.5	L40 R43 L162	L40-L337 HydrophobicContact CD1-CD1 3.48Å; L40-L337 VanDerWaalsContact CD1-CD1 3.48Å; L40-L337 HydrophobicContact CD1-CG 4.25Å; R43-L337 HydrophobicContact CG-CD1 4.48Å; L162-L337 VanDerWaalsContact CD1-OXT 3.24Å; L162-L337 WeakPolarHBondContact CD1-OXT 3.36Å

Retrieved 337 of 337 residues in 79.1 ms (Link to these results)

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