A0A087XV76_POEFO Loading...

CLPTM1 regulator of GABA type A receptor forward trafficking

AlphaFold DB , UniProt , Accession A0A087XV76, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 627 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	34.7	Very low	28.5	Very low	253 Å²	253	147.5 Å²	147.5	100%	1.246	87%	0.867	S	S	*	*				0	129.6	0	-110.6	162.4	165.9	0	0	107.2
2	A	33.6	Very low	28.1	Very low	95 Å²	95	144.8 Å²	144.8	79%	0.785	85%	0.854	S	S	*	*			trans	-100.5	148.2	-168.4	0	0	0	0	0	112.2
3	T	31.4	Very low	27.8	Very low	149 Å²	149	144.2 Å²	144.2	91%	0.914	85%	0.851	S	S	*	*			trans	-162.8	140.2	132.1	19.7	0	0	0	0	108.9
4	Q	28.8	Very low	27.4	Very low	203 Å²	203	142.1 Å²	142.1	95%	0.949	85%	0.849	S	S	*	*			trans	-96.8	152.9	-176.4	-70.7	171.5	-41.9	0	0	112
5	G	27.5	Very low	27.2	Very low	78 Å²	78	143.8 Å²	143.8	80%	0.804	85%	0.852	S	S	*	*			trans	179.7	123.5	160.2	0	0	0	0	0	111.3
6	S	25.1	Very low	27	Very low	123 Å²	123	139.4 Å²	139.4	86%	0.86	85%	0.845	S	S	*	*			trans	-174.8	141.7	154.3	-173.2	0	0	0	0	111.4
7	E	26	Very low	26.9	Very low	171 Å²	171	142.9 Å²	142.9	80%	0.799	85%	0.851	S	S	*	*			trans	-81.4	169.3	-170.6	-57.5	163.7	109.6	0	0	116.4
8	S	25	Very low	26.7	Very low	109 Å²	109	143.1 Å²	143.1	76%	0.762	85%	0.852	S	S	*	*			trans	73.9	138.1	143.5	76.3	0	0	0	0	119.1
9	T	24.6	Very low	26.5	Very low	130 Å²	130	140.9 Å²	140.9	80%	0.798	85%	0.845	S	S	*	*				-167.8	162.7	53.9	-64.1	0	0	0	0	112.8
10	K	25.5	Very low	26.4	Very low	188 Å²	188	138.6 Å²	138.6	82%	0.817	84%	0.836	S	S	*	*			trans	-63.6	160.4	-178.3	-64.4	172.6	172	173.6	0	116.1
11	P	31.1	Very low	26.3	Very low	123 Å²	123	139.1 Å²	139.1	80%	0.799	83%	0.834	S	S	*	*				-141.2	-174.9	87.7	20.7	3	0	0	0	114.9
12	T	23.7	Very low	25.6	Very low	116 Å²	116	130.9 Å²	130.9	71%	0.712	81%	0.814	S	S	*	*			cis	-172.8	126.4	-40.4	-79.8	0	0	0	0	111.7
13	V	24.1	Very low	25.1	Very low	136 Å²	136	132.8 Å²	132.8	82%	0.824	82%	0.816	S	S	*	*			trans	58.4	122.6	157	176.7	0	0	0	0	122.4
14	S	22.7	Very low	24.6	Very low	116 Å²	116	130.5 Å²	130.5	81%	0.811	81%	0.812	S	S	*	*				-169.2	152.8	115.8	-165.3	0	0	0	0	112.4
15	N	24.5	Very low	24.3	Very low	167 Å²	167	124.8 Å²	124.8	89%	0.893	80%	0.799	S	S	*	*			trans	-78.4	155.2	-176.9	-74.7	-18.1	0	0	0	113.7
16	G	23.3	Very low	24.1	Very low	73 Å²	73	125.5 Å²	125.5	75%	0.753	79%	0.788	S	S	*	*			trans	-172.4	101.6	164.3	0	0	0	0	0	111.7
17	E	25.2	Very low	24	Very low	200 Å²	200	120.1 Å²	120.1	94%	0.935	75%	0.751	S	S	*	*			trans	-67.7	129.5	167.8	-64.9	171.3	114.9	0	0	109.7
18	V	23.8	Very low	24	Very low	145 Å²	145	112.2 Å²	112.2	88%	0.879	71%	0.714	S	S	*	*			trans	-136.6	128	157.5	-174.9	0	0	0	0	110
19	S	22.5	Very low	23.9	Very low	103 Å²	103	107.3 Å²	107.3	72%	0.72	68%	0.68	S	S	*	*			trans	-57.3	160.6	-177.9	-169.9	0	0	0	0	114.9
20	S	25	Very low	23.8	Very low	94 Å²	94	101.5 Å²	101.5	66%	0.657	64%	0.644	S	S	*	*			trans	-53.9	141.5	167.2	55.5	0	0	0	0	113.4
21	N	24	Very low	23.7	Very low	150 Å²	150	94.1 Å²	94.1	80%	0.802	61%	0.614	S	S	*	*				-171.9	93.9	127.3	-95.7	-19.4	0	0	0	110.7
22	G	21.1	Very low	23.4	Very low	79 Å²	79	89.2 Å²	89.2	81%	0.814	58%	0.582	S	S	*	*			trans	-107.7	66.9	173.4	0	0	0	0	0	111.3	A24	G22-A24 VanDerWaalsContact C-N 3.29Å; G22-A24 PolarHBondContact O-N 3.07Å
23	T	22	Very low	23.4	Very low	135 Å²	135	85.1 Å²	85.1	83%	0.828	56%	0.555	S	S	*	*			trans	-71.5	82.7	177.1	10.2	0	0	0	0	110.7	A25	T23-A25 PolarHBondContact O-N 3.1Å
24	A	21.6	Very low	23.4	Very low	101 Å²	101	79.3 Å²	79.3	84%	0.835	52%	0.52	S	S	*	.			trans	-70.1	117.9	171	0	0	0	0	0	109.9	G22	G22-A24 VanDerWaalsContact C-N 3.29Å; G22-A24 PolarHBondContact O-N 3.07Å
25	A	21.6	Very low	23.6	Very low	83 Å²	83	74.7 Å²	74.7	69%	0.686	49%	0.489	S	S	*	.			trans	-92.5	122	-179.6	0	0	0	0	0	111.2	T23	T23-A25 PolarHBondContact O-N 3.1Å
26	T	23.1	Very low	23.7	Very low	93 Å²	93	70.4 Å²	70.4	57%	0.571	46%	0.464	S	S	*	.			trans	-108.2	171.4	156	41.2	0	0	0	0	109.9	W540 R584	T26-W540 VanDerWaalsContact C-CZ2 3.41Å; T26-W540 WeakPolarHBondContact O-CH2 3.37Å; T26-W540 WeakPolarHBondContact O-CZ2 3.41Å; T26-W540 WeakPolarHBondContact OG1-CZ3 3.2Å; T26-R584 VanDerWaalsContact C-NH1 3.26Å; T26-R584 PolarHBondContact O-NH1 3.46Å; T26-R584 PolarHBondContact O-NH2 3.1Å
27	T	23.1	Very low	23.8	Very low	11 Å²	11	68.9 Å²	68.9	7%	0.067	44%	0.438	C	S	.	.			trans	-126.8	116.1	-164.1	-71	0	0	0	0	110.7	Y580 L581 R584	T27-Y580 HydrophobicContact CG2-CD1 3.56Å; T27-Y580 HydrophobicContact CG2-CE1 3.89Å; T27-Y580 WeakPolarHBondContact CG2-O 3.48Å; T27-L581 VanDerWaalsContact CG2-CA 3.48Å; T27-L581 HydrophobicContact CG2-CD2 4.13Å; T27-L581 WeakPolarHBondContact O-CD2 3.34Å; T27-R584 HydrophobicContact CG2-CB 3.29Å; T27-R584 HydrophobicContact CG2-CG 4.06Å; T27-R584 WeakPolarHBondContact OG1-CB 3.27Å; T27-R584 WeakPolarHBondContact OG1-CD 3.35Å; T27-R584 PolarHBondContact OG1-NH1 3.26Å
28	D	26.6	Very low	23.8	Very low	5 Å²	5	60.7 Å²	60.7	3%	0.027	40%	0.404	C	S	.	.			trans	-138.8	131.5	166.9	-45.5	-26.2	0	0	0	105.6	L538 W540 L543 T544 F577	D28-L538 WeakPolarHBondContact O-CB 3.09Å; D28-L538 WeakPolarHBondContact O-CD1 3.11Å; D28-L538 VanDerWaalsContact O-CG 3.23Å; D28-L538 WeakPolarHBondContact O-CG 3.25Å; D28-W540 HydrophobicContact CB-CH2 3.9Å; D28-W540 HydrophobicContact CB-CZ2 4.29Å; D28-W540 HydrophobicContact CB-CZ3 4.42Å; D28-W540 WeakPolarHBondContact OD1-CH2 3.45Å; D28-W540 WeakPolarHBondContact OD2-CH2 3.47Å; D28-W540 WeakPolarHBondContact OD2-CZ3 3.19Å; D28-L543 HydrophobicContact CB-CB 3.36Å; D28-L543 HydrophobicContact CB-CD1 3.66Å; D28-L543 HydrophobicContact CB-CD2 4.36Å; D28-L543 HydrophobicContact CB-CG 3.95Å; D28-L543 WeakPolarHBondContact OD2-CB 3.3Å; D28-T544 PolarHBondContact OD2-N 3.39Å; D28-F577 HydrophobicContact CB-CE2 4.25Å; D28-F577 VanDerWaalsContact OD1-CE2 3.27Å; D28-F577 WeakPolarHBondContact OD1-CE2 3.42Å; D28-F577 VanDerWaalsContact OD1-CZ 3.27Å; D28-F577 WeakPolarHBondContact OD1-CZ 3.25Å
29	G	22.6	Very low	24	Very low	5 Å²	5	56.2 Å²	56.2	5%	0.052	37%	0.374	C	S	.	.			cis	117.9	47.2	17.8	0	0	0	0	0	109.2	T31 L543 Y580	G29-T31 PolarHBondContact O-N 3.05Å; G29-L543 VanDerWaalsContact O-CD2 3.28Å; G29-L543 WeakPolarHBondContact O-CD2 3.39Å; G29-Y580 VanDerWaalsContact CA-CZ 3.44Å; G29-Y580 VanDerWaalsContact N-CZ 3.29Å; G29-Y580 PolarHBondContact N-OH 3.05Å
30	Q	22.8	Very low	24.4	Very low	9 Å²	9	55 Å²	55	4%	0.042	36%	0.359	C	S	.	.			trans	-68.5	107.1	-170.2	-118.9	-164.5	-94.9	0	0	109.9	L538 N595 E596 F597	Q30-L538 HydrophobicContact CB-CD2 3.51Å; Q30-L538 HydrophobicContact CG-CD2 3.59Å; Q30-N595 PolarHBondContact OE1-OD1 2.87Å; Q30-E596 HydrophobicContact CB-CG 3.75Å; Q30-E596 WeakPolarHBondContact CB-OE1 3.33Å; Q30-E596 HydrophobicContact CG-CG 4.3Å; Q30-E596 PolarHBondContact NE2-O 3.45Å; Q30-F597 HydrophobicContact CB-CE2 4.46Å; Q30-F597 VanDerWaalsContact CD-N 3.32Å; Q30-F597 HydrophobicContact CG-CD1 4.36Å; Q30-F597 HydrophobicContact CG-CD2 3.35Å; Q30-F597 HydrophobicContact CG-CE1 4.06Å; Q30-F597 HydrophobicContact CG-CE2 3.02Å; Q30-F597 HydrophobicContact CG-CG 4.01Å; Q30-F597 HydrophobicContact CG-CZ 3.38Å
31	T	22.7	Very low	24.7	Very low	32 Å²	32	51.2 Å²	51.2	20%	0.196	33%	0.333	C	S	.	.			trans	-69.4	127.1	163.9	43.7	0	0	0	0	107.9	G29 Q33 M522	G29-T31 PolarHBondContact O-N 3.05Å; T31-Q33 PolarHBondContact O-N 3.46Å; T31-Q33 VanDerWaalsContact O-N 3.09Å; T31-M522 VanDerWaalsContact CA-SD 3.54Å; T31-M522 HydrophobicContact CG2-CE 4.06Å; T31-M522 HydrophobicContact CG2-SD 4.02Å
32	V	24.6	Very low	24.8	Very low	21 Å²	21	47 Å²	47	13%	0.127	31%	0.308	C	S	.	.			trans	-52.7	113.8	167	157.2	0	0	0	0	107.8	T34 S394 M522	V32-T34 WeakPolarHBondContact CG1-OG1 3.37Å; V32-T34 PolarHBondContact O-N 3Å; V32-S394 WeakPolarHBondContact CG1-OG 3.36Å; V32-M522 HydrophobicContact CB-CE 4.33Å; V32-M522 HydrophobicContact CB-SD 3.75Å; V32-M522 PolarHBondContact N-SD 2.9Å; V32-M522 WeakPolarHBondContact O-CE 3.49Å
33	Q	24.9	Very low	25.2	Very low	29 Å²	29	48.6 Å²	48.6	14%	0.136	29%	0.294	C	S	.	.	S	Bend	trans	-81.4	38.5	-157.3	-141	-171.8	11	0	0	113.8	T31 D377 M542 F597	T31-Q33 PolarHBondContact O-N 3.46Å; T31-Q33 VanDerWaalsContact O-N 3.09Å; Q33-D377 PolarHBondContact NE2-OD1 3.16Å; Q33-D377 PolarHBondContact OE1-OD1 3.06Å; Q33-M542 PolarHBondContact NE2-SD 3.38Å; Q33-F597 HydrophobicContact CB-CE1 4.07Å; Q33-F597 HydrophobicContact CG-CE1 3.97Å; Q33-F597 HydrophobicContact CG-CZ 4.44Å
34	T	24.7	Very low	25.5	Very low	14 Å²	14	49.8 Å²	49.8	9%	0.086	29%	0.291	C	S	.	.	S	Bend	trans	-131.5	24.6	-162.8	28.2	0	0	0	0	114	V32 S394 G398	V32-T34 WeakPolarHBondContact CG1-OG1 3.37Å; V32-T34 PolarHBondContact O-N 3Å; T34-S394 WeakPolarHBondContact CG2-O 3.43Å; T34-S394 PolarHBondContact OG1-O 3.28Å; T34-G398 VanDerWaalsContact CG2-CA 3.43Å; T34-G398 VanDerWaalsContact O-CA 3.27Å; T34-G398 WeakPolarHBondContact O-CA 3.39Å
35	A	25.2	Very low	25.7	Very low	20 Å²	20	53.3 Å²	53.3	17%	0.165	29%	0.29	C	S	.	.	S	Bend	trans	-140.6	-0.9	-179.8	0	0	0	0	0	116.2	Q401	A35-Q401 VanDerWaalsContact CB-NE2 3.28Å
36	E	26.6	Very low	25.9	Very low	77 Å²	77	58.4 Å²	58.4	36%	0.36	30%	0.3	S	S	.	.			trans	-114.3	16	-168.2	-73.7	173.2	118.7	0	0	115.2	K546	E36-K546 WeakPolarHBondContact OE2-CE 3.27Å; E36-K546 IonicContact OE2-NZ 3.67Å; E36-K546 PolarHBondContact OE2-NZ 2.97Å
37	N	26.2	Very low	26.2	Very low	41 Å²	41	61 Å²	61	22%	0.219	31%	0.305	C	S	.	.	S	Bend	trans	-97.2	14.1	172.9	-91.8	-17.1	0	0	0	113.3	D429	N37-D429 PolarHBondContact ND2-OD1 3.24Å; N37-D429 VanDerWaalsContact ND2-OD1 3.13Å; N37-D429 PolarHBondContact ND2-OD2 2.76Å; N37-D429 VanDerWaalsContact ND2-OD2 3.15Å
38	A	26	Very low	26.5	Very low	27 Å²	27	62 Å²	62	22%	0.223	31%	0.314	C	S	.	.			trans	-104.2	103.1	171.2	0	0	0	0	0	109.7	D40 V405	A38-D40 VanDerWaalsContact C-N 3.26Å; A38-D40 PolarHBondContact O-N 3.05Å; A38-V405 HydrophobicContact CB-CB 4.45Å; A38-V405 HydrophobicContact CB-CG1 3.67Å; A38-V405 HydrophobicContact CB-CG2 4.41Å
39	Q	28.2	Very low	26.8	Very low	51 Å²	51	63.9 Å²	63.9	24%	0.238	33%	0.327	C	S	.	.			trans	-63.4	99.6	146.9	-73.9	-177.3	-27.1	0	0	105.2	P41 E370 V418 S421	Q39-P41 WeakPolarHBondContact O-CD 3.47Å; Q39-P41 WeakPolarHBondContact O-CG 3.47Å; Q39-E370 PolarHBondContact NE2-OE1 3.41Å; Q39-V418 HydrophobicContact CB-CG1 4.06Å; Q39-S421 PolarHBondContact OE1-OG 3.31Å
40	D	30.7	Very low	27.8	Very low	77 Å²	77	68.4 Å²	68.4	41%	0.412	35%	0.35	S	S	.	.			trans	-63.3	115.5	-169.1	-91.1	-18.2	0	0	0	112.4	A38 Y511	A38-D40 VanDerWaalsContact C-N 3.26Å; A38-D40 PolarHBondContact O-N 3.05Å; D40-Y511 VanDerWaalsContact CG-OH 3.27Å; D40-Y511 PolarHBondContact OD1-OH 3.05Å
41	P	29.9	Very low	28.7	Very low	16 Å²	16	69 Å²	69	10%	0.104	36%	0.357	C	S	.	.			trans	-113.5	95.8	179.1	8.9	17	0	0	0	109.1	Q39 I409 T414 V418	Q39-P41 WeakPolarHBondContact O-CD 3.47Å; Q39-P41 WeakPolarHBondContact O-CG 3.47Å; P41-I409 HydrophobicContact CB-CG1 4.24Å; P41-I409 VanDerWaalsContact CD-CG1 3.42Å; P41-I409 HydrophobicContact CG-CB 4.39Å; P41-I409 HydrophobicContact CG-CD1 3.38Å; P41-I409 HydrophobicContact CG-CG1 3.44Å; P41-I409 VanDerWaalsContact CG-CG1 3.44Å; P41-I409 HydrophobicContact CG-CG2 4.06Å; P41-T414 HydrophobicContact CB-CG2 4.02Å; P41-V418 HydrophobicContact CB-CB 4.44Å; P41-V418 HydrophobicContact CB-CG1 3.97Å; P41-V418 HydrophobicContact CG-CB 4.31Å; P41-V418 HydrophobicContact CG-CG1 3.5Å
42	Q	26.8	Very low	29.7	Very low	61 Å²	61	72.4 Å²	72.4	29%	0.285	37%	0.366	S	S	.	.			trans	-152.5	131.2	162	-134.8	-131.3	-13.1	0	0	117	Y408 N412	Q42-Y408 HydrophobicContact CB-CD1 4.46Å; Q42-Y408 HydrophobicContact CB-CE1 3.91Å; Q42-Y408 HydrophobicContact CG-CD1 3.9Å; Q42-Y408 HydrophobicContact CG-CE1 3.32Å; Q42-Y408 PolarHBondContact NE2-OH 3.23Å; Q42-Y408 PolarHBondContact OE1-OH 3.1Å; Q42-N412 HydrophobicContact CG-CB 4.25Å; Q42-N412 VanDerWaalsContact NE2-CG 3.26Å; Q42-N412 PolarHBondContact NE2-ND2 2.89Å; Q42-N412 VanDerWaalsContact NE2-ND2 3.17Å; Q42-N412 PolarHBondContact NE2-OD1 3.11Å
43	Q	28.9	Very low	30.7	Very low	112 Å²	112	73 Å²	73	52%	0.523	37%	0.367	S	S	.	.			trans	47	95.9	158	-70.5	-178.2	-1.5	0	0	117.4	Q45 N412	Q43-Q45 VanDerWaalsContact C-N 3.29Å; Q43-Q45 PolarHBondContact O-N 3.1Å; Q43-N412 PolarHBondContact NE2-OD1 3.39Å
44	Q	29.1	Very low	31.8	Very low	160 Å²	160	71.9 Å²	71.9	75%	0.748	36%	0.363	S	S	*	.				55.9	34.3	72.1	-143	179.4	26.5	0	0	115
45	Q	26	Very low	33.1	Very low	176 Å²	176	71.3 Å²	71.3	82%	0.822	36%	0.359	S	S	*	.	S	Bend	trans	-140.3	127.8	150.9	-113.7	169.7	1	0	0	111.7	Q43	Q43-Q45 VanDerWaalsContact C-N 3.29Å; Q43-Q45 PolarHBondContact O-N 3.1Å
46	Q	25.4	Very low	34.2	Very low	190 Å²	190	74 Å²	74	89%	0.888	37%	0.367	S	S	*	.	S	Bend	trans	61.4	100.4	-169.1	-83.9	169.6	-3.9	0	0	116.1	A48	Q46-A48 PolarHBondContact O-N 3.44Å
47	Q	30.1	Very low	35.3	Very low	147 Å²	147	71.3 Å²	71.3	69%	0.687	36%	0.36	S	S	*	.			trans	-51.9	104.3	170.5	-90.2	168.8	-33.8	0	0	112.2
48	A	27.9	Very low	36.5	Very low	31 Å²	31	71 Å²	71	26%	0.256	36%	0.359	S	S	.	.			trans	-105.6	138.5	138	0	0	0	0	0	107.4	Q46 N50 I560 K561	Q46-A48 PolarHBondContact O-N 3.44Å; A48-N50 PolarHBondContact O-N 3.38Å; A48-I560 HydrophobicContact CB-CG2 3.61Å; A48-K561 VanDerWaalsContact CB-O 3.31Å; A48-K561 WeakPolarHBondContact CB-O 3.35Å
49	P	33.4	Very low	37.7	Very low	46 Å²	46	73.8 Å²	73.8	30%	0.299	37%	0.37	S	S	.	.			trans	-69.2	119.4	-174.3	27.9	-34.8	0	0	0	110.8	A51 V54 A347	P49-A51 PolarHBondContact O-N 2.8Å; P49-V54 HydrophobicContact CB-CG2 3.85Å; P49-A347 HydrophobicContact CB-CB 3.77Å; P49-A347 HydrophobicContact CG-CB 3.74Å
50	N	44.5	Very low	38.9	Very low	100 Å²	100	76 Å²	76	54%	0.535	38%	0.379	S	S	.	.			trans	-54.6	110.8	175	-85.7	-29.8	0	0	0	110.1	A48 W52 Q53 V54	A48-N50 PolarHBondContact O-N 3.38Å; N50-W52 PolarHBondContact O-N 3.3Å; N50-Q53 HydrophobicContact CB-CB 3.93Å; N50-Q53 HydrophobicContact CB-CG 3.98Å; N50-Q53 PolarHBondContact ND2-OE1 2.84Å; N50-Q53 PolarHBondContact O-N 2.63Å; N50-V54 WeakPolarHBondContact O-CG2 3.25Å; N50-V54 PolarHBondContact O-N 2.96Å
51	A	42	Very low	39.9	Very low	22 Å²	22	74.1 Å²	74.1	18%	0.182	37%	0.366	C	S	.	.	H	α-helix	trans	-56.8	-38.4	-174.6	0	0	0	0	0	112	P49 V54 I55 T359 S363	P49-A51 PolarHBondContact O-N 2.8Å; A51-V54 PolarHBondContact O-N 3.44Å; A51-I55 WeakPolarHBondContact O-CB 3.43Å; A51-I55 WeakPolarHBondContact O-CD1 3.36Å; A51-I55 WeakPolarHBondContact O-CG1 3.41Å; A51-I55 PolarHBondContact O-N 3.19Å; A51-T359 HydrophobicContact CB-CG2 3.82Å; A51-S363 WeakPolarHBondContact CB-OG 3.24Å
52	W	41.9	Very low	41.3	Very low	102 Å²	102	77.9 Å²	77.9	39%	0.386	38%	0.384	S	S	.	.	H	α-helix	trans	-63.7	-38.3	173.6	-178.8	-125.2	0	0	0	113.8	N50 I55 K56 S367	N50-W52 PolarHBondContact O-N 3.3Å; W52-I55 HydrophobicContact CE3-CG2 4.49Å; W52-I55 PolarHBondContact O-N 2.87Å; W52-K56 WeakPolarHBondContact O-CB 3.46Å; W52-K56 PolarHBondContact O-N 2.75Å; W52-S367 WeakPolarHBondContact CZ3-OG 3.29Å
53	Q	46	Very low	42.9	Very low	33 Å²	33	80.7 Å²	80.7	15%	0.154	40%	0.396	C	S	.	.	H	α-helix	trans	-71.7	-37.4	174.9	-71.2	-176.8	-60	0	0	111.6	N50 G57 D340 N415	N50-Q53 HydrophobicContact CB-CB 3.93Å; N50-Q53 HydrophobicContact CB-CG 3.98Å; N50-Q53 PolarHBondContact ND2-OE1 2.84Å; N50-Q53 PolarHBondContact O-N 2.63Å; Q53-G57 PolarHBondContact O-N 2.67Å; Q53-D340 PolarHBondContact NE2-OD1 3Å; Q53-D340 PolarHBondContact NE2-OD2 2.86Å; Q53-N415 PolarHBondContact NE2-ND2 2.8Å
54	V	48	Very low	44.1	Very low	7 Å²	7	77.1 Å²	77.1	4%	0.042	38%	0.38	C	S	.	.	H	α-helix	trans	-60.6	-46.7	171.4	177.8	0	0	0	0	110.2	P49 N50 A51 G57 V58 V344 L356 I360	P49-V54 HydrophobicContact CB-CG2 3.85Å; N50-V54 WeakPolarHBondContact O-CG2 3.25Å; N50-V54 PolarHBondContact O-N 2.96Å; A51-V54 PolarHBondContact O-N 3.44Å; V54-G57 PolarHBondContact O-N 3.47Å; V54-V58 HydrophobicContact CG1-CG2 4.3Å; V54-V58 WeakPolarHBondContact O-CB 3.44Å; V54-V58 VanDerWaalsContact O-CG2 3.22Å; V54-V58 WeakPolarHBondContact O-CG2 3.42Å; V54-V58 PolarHBondContact O-N 3.27Å; V54-V344 HydrophobicContact CG2-CG2 4.18Å; V54-L356 HydrophobicContact CG1-CD1 4.45Å; V54-I360 HydrophobicContact CG1-CG1 4.39Å
55	I	51.8	Low	45.5	Very low	2 Å²	2	72.3 Å²	72.3	1%	0.01	36%	0.359	C	S	.	.	H	α-helix	trans	-64.7	-48.6	176.9	-71.1	159.9	0	0	0	111.6	A51 W52 G57 V58 L59 I364	A51-I55 WeakPolarHBondContact O-CB 3.43Å; A51-I55 WeakPolarHBondContact O-CD1 3.36Å; A51-I55 WeakPolarHBondContact O-CG1 3.41Å; A51-I55 PolarHBondContact O-N 3.19Å; W52-I55 HydrophobicContact CE3-CG2 4.49Å; W52-I55 PolarHBondContact O-N 2.87Å; I55-G57 PolarHBondContact O-N 2.73Å; I55-V58 CarbonylContact O-C 3.5Å; I55-V58 PolarHBondContact O-N 3.24Å; I55-V58 VanDerWaalsContact O-N 3.09Å; I55-L59 HydrophobicContact CG2-CD1 3.49Å; I55-L59 VanDerWaalsContact CG2-CD1 3.49Å; I55-L59 HydrophobicContact CG2-CG 3.85Å; I55-L59 WeakPolarHBondContact O-CB 3.39Å; I55-L59 WeakPolarHBondContact O-CG 3.4Å; I55-L59 PolarHBondContact O-N 3.03Å; I55-I364 HydrophobicContact CD1-CG1 4.43Å; I55-I364 HydrophobicContact CG1-CG1 4.48Å; I55-I364 HydrophobicContact CG2-CG1 4.24Å
56	K	49.6	Very low	47.3	Very low	77 Å²	77	71.6 Å²	71.6	34%	0.335	35%	0.349	S	S	.	.	H	α-helix	trans	-55.8	-44.7	176.1	-179.8	-174.8	171.5	-163	0	110	W52 F60 V417	W52-K56 WeakPolarHBondContact O-CB 3.46Å; W52-K56 PolarHBondContact O-N 2.75Å; K56-F60 WeakPolarHBondContact O-CB 3.41Å; K56-F60 PolarHBondContact O-N 3.49Å; K56-V417 VanDerWaalsContact NZ-CG2 3.26Å
57	G	49.7	Very low	48.9	Very low	20 Å²	20	63 Å²	63	21%	0.206	31%	0.31	C	S	.	.	H	α-helix	trans	-61.9	-44.5	173.2	0	0	0	0	0	113.4	Q53 V54 I55 R61	Q53-G57 PolarHBondContact O-N 2.67Å; V54-G57 PolarHBondContact O-N 3.47Å; I55-G57 PolarHBondContact O-N 2.73Å; G57-R61 VanDerWaalsContact O-CB 3.31Å; G57-R61 WeakPolarHBondContact O-CB 3.22Å; G57-R61 VanDerWaalsContact O-CD 3.26Å; G57-R61 WeakPolarHBondContact O-CD 3.47Å; G57-R61 WeakPolarHBondContact O-CG 3.32Å; G57-R61 PolarHBondContact O-N 3.42Å
58	V	51.1	Low	50.1	Low	34 Å²	34	57.3 Å²	57.3	21%	0.206	28%	0.284	C	S	.	.	H	α-helix	trans	-72.4	-43.1	-178.9	167.4	0	0	0	0	112.3	V54 I55 R61 I62 I360	V54-V58 HydrophobicContact CG1-CG2 4.3Å; V54-V58 WeakPolarHBondContact O-CB 3.44Å; V54-V58 VanDerWaalsContact O-CG2 3.22Å; V54-V58 WeakPolarHBondContact O-CG2 3.42Å; V54-V58 PolarHBondContact O-N 3.27Å; I55-V58 CarbonylContact O-C 3.5Å; I55-V58 PolarHBondContact O-N 3.24Å; I55-V58 VanDerWaalsContact O-N 3.09Å; V58-R61 CarbonylContact O-C 3.58Å; V58-R61 WeakPolarHBondContact O-CB 3.38Å; V58-R61 PolarHBondContact O-N 3.26Å; V58-I62 HydrophobicContact CG1-CD1 3.82Å; V58-I62 WeakPolarHBondContact O-CB 3.47Å; V58-I62 VanDerWaalsContact O-CG1 3.25Å; V58-I62 WeakPolarHBondContact O-CG1 3.44Å; V58-I62 PolarHBondContact O-N 2.79Å; V58-I360 HydrophobicContact CG2-CD1 4.45Å
59	L	51.9	Low	51.5	Low	86 Å²	86	57.5 Å²	57.5	45%	0.45	28%	0.284	S	S	.	.	H	α-helix	trans	-66.9	-39.4	174	-69.5	179.4	0	0	0	111.3	I55 I62 F63	I55-L59 HydrophobicContact CG2-CD1 3.49Å; I55-L59 VanDerWaalsContact CG2-CD1 3.49Å; I55-L59 HydrophobicContact CG2-CG 3.85Å; I55-L59 WeakPolarHBondContact O-CB 3.39Å; I55-L59 WeakPolarHBondContact O-CG 3.4Å; I55-L59 PolarHBondContact O-N 3.03Å; L59-I62 PolarHBondContact O-N 3Å; L59-F63 VanDerWaalsContact O-CB 3.27Å; L59-F63 WeakPolarHBondContact O-CB 3.41Å; L59-F63 PolarHBondContact O-N 3.08Å
60	F	51.8	Low	52.7	Low	96 Å²	96	56.7 Å²	56.7	42%	0.421	28%	0.279	S	S	.	.	H	α-helix	trans	-64.3	-41	172.1	-175.4	-109.4	0	0	0	111.5	K56 F63 I64	K56-F60 WeakPolarHBondContact O-CB 3.41Å; K56-F60 PolarHBondContact O-N 3.49Å; F60-F63 PolarHBondContact O-N 3.26Å; F60-I64 HydrophobicContact CD1-CD1 3.91Å; F60-I64 HydrophobicContact CE1-CD1 3.36Å; F60-I64 HydrophobicContact CE1-CG1 4.38Å; F60-I64 HydrophobicContact CE2-CD1 4.14Å; F60-I64 HydrophobicContact CZ-CD1 3.5Å; F60-I64 VanDerWaalsContact CZ-CD1 3.5Å; F60-I64 HydrophobicContact CZ-CG1 4.32Å; F60-I64 WeakPolarHBondContact O-CB 3.36Å; F60-I64 WeakPolarHBondContact O-CG1 3.18Å; F60-I64 PolarHBondContact O-N 2.83Å
61	R	53.3	Low	53.2	Low	38 Å²	38	59 Å²	59	14%	0.143	28%	0.281	C	S	.	.	H	α-helix	trans	-60.8	-47.8	171	-74.1	160.8	-173.9	-175.9	3	111.3	G57 V58 F63 I64 I65 Y283 V344	G57-R61 VanDerWaalsContact O-CB 3.31Å; G57-R61 WeakPolarHBondContact O-CB 3.22Å; G57-R61 VanDerWaalsContact O-CD 3.26Å; G57-R61 WeakPolarHBondContact O-CD 3.47Å; G57-R61 WeakPolarHBondContact O-CG 3.32Å; G57-R61 PolarHBondContact O-N 3.42Å; V58-R61 CarbonylContact O-C 3.58Å; V58-R61 WeakPolarHBondContact O-CB 3.38Å; V58-R61 PolarHBondContact O-N 3.26Å; R61-F63 VanDerWaalsContact C-N 3.33Å; R61-F63 PolarHBondContact O-N 3.22Å; R61-I64 PolarHBondContact O-N 3.13Å; R61-I65 VanDerWaalsContact O-CB 3.25Å; R61-I65 WeakPolarHBondContact O-CB 3.48Å; R61-I65 WeakPolarHBondContact O-CD1 3.49Å; R61-I65 WeakPolarHBondContact O-CG1 3.5Å; R61-I65 PolarHBondContact O-N 3.13Å; R61-Y283 PolarHBondContact NH2-OH 3.26Å; R61-V344 VanDerWaalsContact NH1-CG1 3.34Å
62	I	58.1	Low	53.9	Low	95 Å²	95	62.4 Å²	62.4	49%	0.487	29%	0.291	S	S	.	.	H	α-helix	trans	-61.4	-41.9	177.3	-70.6	163.3	0	0	0	110.8	V58 L59 I65 W66	V58-I62 HydrophobicContact CG1-CD1 3.82Å; V58-I62 WeakPolarHBondContact O-CB 3.47Å; V58-I62 VanDerWaalsContact O-CG1 3.25Å; V58-I62 WeakPolarHBondContact O-CG1 3.44Å; V58-I62 PolarHBondContact O-N 2.79Å; L59-I62 PolarHBondContact O-N 3Å; I62-I65 PolarHBondContact O-N 2.76Å; I62-W66 WeakPolarHBondContact O-CB 3.49Å; I62-W66 PolarHBondContact O-N 3.31Å
63	F	59.9	Low	54.6	Low	120 Å²	120	68.1 Å²	68.1	53%	0.526	31%	0.313	S	S	.	.	H	α-helix	trans	-64.2	-44.1	176	175.2	-100.5	0	0	0	112.1	L59 F60 R61 W66 A67	L59-F63 VanDerWaalsContact O-CB 3.27Å; L59-F63 WeakPolarHBondContact O-CB 3.41Å; L59-F63 PolarHBondContact O-N 3.08Å; F60-F63 PolarHBondContact O-N 3.26Å; R61-F63 VanDerWaalsContact C-N 3.33Å; R61-F63 PolarHBondContact O-N 3.22Å; F63-W66 HydrophobicContact CD2-CE3 4.22Å; F63-W66 HydrophobicContact CE2-CE3 4.2Å; F63-W66 HydrophobicContact CE2-CZ3 4.1Å; F63-W66 PolarHBondContact O-N 3.22Å; F63-A67 VanDerWaalsContact O-CB 3.26Å; F63-A67 WeakPolarHBondContact O-CB 3.45Å; F63-A67 PolarHBondContact O-N 2.89Å
64	I	55.6	Low	54.8	Low	38 Å²	38	75 Å²	75	20%	0.195	34%	0.337	C	S	.	.	H	α-helix	trans	-65.3	-43.8	175.2	-79.5	-175.5	0	0	0	111.2	F60 R61 W66 A67 I68 A319	F60-I64 HydrophobicContact CD1-CD1 3.91Å; F60-I64 HydrophobicContact CE1-CD1 3.36Å; F60-I64 HydrophobicContact CE1-CG1 4.38Å; F60-I64 HydrophobicContact CE2-CD1 4.14Å; F60-I64 HydrophobicContact CZ-CD1 3.5Å; F60-I64 VanDerWaalsContact CZ-CD1 3.5Å; F60-I64 HydrophobicContact CZ-CG1 4.32Å; F60-I64 WeakPolarHBondContact O-CB 3.36Å; F60-I64 WeakPolarHBondContact O-CG1 3.18Å; F60-I64 PolarHBondContact O-N 2.83Å; R61-I64 PolarHBondContact O-N 3.13Å; I64-W66 VanDerWaalsContact C-N 3.31Å; I64-W66 PolarHBondContact O-N 2.92Å; I64-A67 PolarHBondContact O-N 2.99Å; I64-I68 HydrophobicContact CG2-CD1 3.62Å; I64-I68 HydrophobicContact CG2-CG1 4.34Å; I64-I68 WeakPolarHBondContact O-CB 3.5Å; I64-I68 VanDerWaalsContact O-CG1 3.29Å; I64-I68 WeakPolarHBondContact O-CG1 3.46Å; I64-I68 PolarHBondContact O-N 3.06Å; I64-A319 HydrophobicContact CG2-CB 3.66Å
65	I	56.8	Low	54.8	Low	59 Å²	59	77.2 Å²	77.2	30%	0.303	36%	0.361	S	S	.	.	H	α-helix	trans	-60.2	-42.8	175.5	-72.6	167.6	0	0	0	110.4	R61 I62 S69 W312 L316	R61-I65 VanDerWaalsContact O-CB 3.25Å; R61-I65 WeakPolarHBondContact O-CB 3.48Å; R61-I65 WeakPolarHBondContact O-CD1 3.49Å; R61-I65 WeakPolarHBondContact O-CG1 3.5Å; R61-I65 PolarHBondContact O-N 3.13Å; I62-I65 PolarHBondContact O-N 2.76Å; I65-S69 WeakPolarHBondContact O-CB 3.45Å; I65-S69 PolarHBondContact O-N 2.65Å; I65-S69 PolarHBondContact O-OG 2.99Å; I65-W312 HydrophobicContact CG2-CH2 3.93Å; I65-W312 HydrophobicContact CG2-CZ2 4.21Å; I65-L316 HydrophobicContact CD1-CD2 3.68Å; I65-L316 HydrophobicContact CG1-CD2 3.48Å; I65-L316 VanDerWaalsContact CG1-CD2 3.48Å
66	W	65.1	Low	54.4	Low	161 Å²	161	83.2 Å²	83.2	61%	0.61	40%	0.401	S	S	*	.	H	α-helix	trans	-66.1	-44.4	174.4	176.4	83.3	0	0	0	111.9	I62 F63 I64 S69 S70	I62-W66 WeakPolarHBondContact O-CB 3.49Å; I62-W66 PolarHBondContact O-N 3.31Å; F63-W66 HydrophobicContact CD2-CE3 4.22Å; F63-W66 HydrophobicContact CE2-CE3 4.2Å; F63-W66 HydrophobicContact CE2-CZ3 4.1Å; F63-W66 PolarHBondContact O-N 3.22Å; I64-W66 VanDerWaalsContact C-N 3.31Å; I64-W66 PolarHBondContact O-N 2.92Å; W66-S69 WeakPolarHBondContact CA-OG 3.47Å; W66-S69 PolarHBondContact O-N 2.89Å; W66-S69 PolarHBondContact O-OG 2.93Å; W66-S70 WeakPolarHBondContact O-CB 3.31Å; W66-S70 PolarHBondContact O-N 2.71Å; W66-S70 PolarHBondContact O-OG 2.99Å
67	A	57.7	Low	54.1	Low	10 Å²	10	84.8 Å²	84.8	8%	0.083	42%	0.421	C	S	.	.	H	α-helix	trans	-63	-51.4	178.7	0	0	0	0	0	111.1	F63 I64 S70 W71	F63-A67 VanDerWaalsContact O-CB 3.26Å; F63-A67 WeakPolarHBondContact O-CB 3.45Å; F63-A67 PolarHBondContact O-N 2.89Å; I64-A67 PolarHBondContact O-N 2.99Å; A67-S70 PolarHBondContact O-N 3.37Å; A67-S70 PolarHBondContact O-OG 2.98Å; A67-W71 VanDerWaalsContact C-CE3 3.45Å; A67-W71 HydrophobicContact CB-CE3 4.05Å; A67-W71 HydrophobicContact CB-CH2 4.47Å; A67-W71 HydrophobicContact CB-CZ3 3.72Å; A67-W71 VanDerWaalsContact O-CE3 3.24Å; A67-W71 PolarHBondContact O-N 2.93Å
68	I	55.8	Low	53.8	Low	26 Å²	26	89.9 Å²	89.9	13%	0.133	45%	0.449	C	S	.	.	H	α-helix	trans	-59.6	-49.3	176.2	-66.5	172	0	0	0	110.7	I64 S70 W71 F72 A319	I64-I68 HydrophobicContact CG2-CD1 3.62Å; I64-I68 HydrophobicContact CG2-CG1 4.34Å; I64-I68 WeakPolarHBondContact O-CB 3.5Å; I64-I68 VanDerWaalsContact O-CG1 3.29Å; I64-I68 WeakPolarHBondContact O-CG1 3.46Å; I64-I68 PolarHBondContact O-N 3.06Å; I68-S70 VanDerWaalsContact C-N 3.28Å; I68-S70 PolarHBondContact O-N 2.84Å; I68-W71 WeakPolarHBondContact O-CB 3.42Å; I68-W71 PolarHBondContact O-N 2.98Å; I68-W71 VanDerWaalsContact O-N 3.09Å; I68-F72 HydrophobicContact CG2-CD2 3.89Å; I68-F72 HydrophobicContact CG2-CE2 3.98Å; I68-F72 WeakPolarHBondContact O-CD2 3.23Å; I68-F72 PolarHBondContact O-N 3.33Å; I68-A319 HydrophobicContact CD1-CB 3.61Å
69	S	56.9	Low	53.3	Low	36 Å²	36	93.9 Å²	93.9	25%	0.252	48%	0.475	S	S	.	.	H	α-helix	trans	-65.8	-29.2	177.7	62	0	0	0	0	113.1	I65 W66 R73	I65-S69 WeakPolarHBondContact O-CB 3.45Å; I65-S69 PolarHBondContact O-N 2.65Å; I65-S69 PolarHBondContact O-OG 2.99Å; W66-S69 WeakPolarHBondContact CA-OG 3.47Å; W66-S69 PolarHBondContact O-N 2.89Å; W66-S69 PolarHBondContact O-OG 2.93Å; S69-R73 WeakPolarHBondContact O-CB 3.49Å; S69-R73 VanDerWaalsContact O-CG 3.29Å; S69-R73 WeakPolarHBondContact O-CG 3.45Å; S69-R73 PolarHBondContact O-N 3.4Å
70	S	59.6	Low	52.9	Low	29 Å²	29	95 Å²	95	20%	0.203	48%	0.481	C	S	.	.	H	α-helix	trans	-70.5	-35.3	171	83.7	0	0	0	0	112.4	W66 A67 I68 R73 R74	W66-S70 WeakPolarHBondContact O-CB 3.31Å; W66-S70 PolarHBondContact O-N 2.71Å; W66-S70 PolarHBondContact O-OG 2.99Å; A67-S70 PolarHBondContact O-N 3.37Å; A67-S70 PolarHBondContact O-OG 2.98Å; I68-S70 VanDerWaalsContact C-N 3.28Å; I68-S70 PolarHBondContact O-N 2.84Å; S70-R73 PolarHBondContact O-N 3.36Å; S70-R74 WeakPolarHBondContact O-CG 3.29Å; S70-R74 PolarHBondContact O-N 2.91Å
71	W	55.1	Low	52.7	Low	149 Å²	149	96.1 Å²	96.1	56%	0.564	50%	0.499	S	S	*	.	H	α-helix	trans	-69.8	-32.3	173.6	-86.7	-55.8	0	0	0	112.8	A67 I68	A67-W71 VanDerWaalsContact C-CE3 3.45Å; A67-W71 HydrophobicContact CB-CE3 4.05Å; A67-W71 HydrophobicContact CB-CH2 4.47Å; A67-W71 HydrophobicContact CB-CZ3 3.72Å; A67-W71 VanDerWaalsContact O-CE3 3.24Å; A67-W71 PolarHBondContact O-N 2.93Å; I68-W71 WeakPolarHBondContact O-CB 3.42Å; I68-W71 PolarHBondContact O-N 2.98Å; I68-W71 VanDerWaalsContact O-N 3.09Å
72	F	56.4	Low	52.4	Low	93 Å²	93	101.3 Å²	101.3	41%	0.408	53%	0.529	S	S	.	.	H	α-helix	trans	-81.6	-23	172.2	-81.6	-80.8	0	0	0	113.8	I68 R74 W252 Q315	I68-F72 HydrophobicContact CG2-CD2 3.89Å; I68-F72 HydrophobicContact CG2-CE2 3.98Å; I68-F72 WeakPolarHBondContact O-CD2 3.23Å; I68-F72 PolarHBondContact O-N 3.33Å; F72-R74 VanDerWaalsContact C-N 3.35Å; F72-W252 HydrophobicContact CE1-CH2 4.3Å; F72-W252 HydrophobicContact CE1-CZ3 4.45Å; F72-W252 AromaticContact CZ-CH2 3.84Å; F72-W252 HydrophobicContact CZ-CH2 3.84Å; F72-W252 HydrophobicContact CZ-CZ3 4.19Å; F72-Q315 VanDerWaalsContact CE2-NE2 3.31Å
73	R	56.9	Low	51.8	Low	221 Å²	221	101.8 Å²	101.8	83%	0.834	54%	0.536	S	S	*	.	H	α-helix	trans	-74.2	-26.2	167.8	-76.2	177.6	-175.1	-141.7	3.1	112.5	S69 S70 G75	S69-R73 WeakPolarHBondContact O-CB 3.49Å; S69-R73 VanDerWaalsContact O-CG 3.29Å; S69-R73 WeakPolarHBondContact O-CG 3.45Å; S69-R73 PolarHBondContact O-N 3.4Å; S70-R73 PolarHBondContact O-N 3.36Å; R73-G75 PolarHBondContact O-N 2.97Å
74	R	49.8	Very low	51	Low	179 Å²	179	102 Å²	102	68%	0.675	55%	0.55	S	S	*	.	S	Bend	trans	-77.2	106.3	164.2	-72.8	173.8	174.9	170	-1.2	107.7	S70 F72	S70-R74 WeakPolarHBondContact O-CG 3.29Å; S70-R74 PolarHBondContact O-N 2.91Å; F72-R74 VanDerWaalsContact C-N 3.35Å
75	G	47.8	Very low	50.7	Low	53 Å²	53	105.2 Å²	105.2	55%	0.546	58%	0.582	S	S	.	*	P	Polyproline II helix	trans	-54.1	163.5	169.3	0	0	0	0	0	111.7	R73 S77	R73-G75 PolarHBondContact O-N 2.97Å; G75-S77 PolarHBondContact O-N 3.47Å
76	P	43.4	Very low	50.1	Low	128 Å²	128	105.6 Å²	105.6	83%	0.831	60%	0.601	S	S	*	*	S	Bend	trans	-49	128.6	-175.3	20.6	-33.2	0	0	0	110.7	T78	P76-T78 PolarHBondContact O-N 3.13Å
77	S	43.1	Very low	49.3	Very low	109 Å²	109	102 Å²	102	76%	0.762	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-55.5	128.7	-172.5	33.5	0	0	0	0	111	G75	G75-S77 PolarHBondContact O-N 3.47Å
78	T	43.1	Very low	49	Very low	128 Å²	128	107.1 Å²	107.1	79%	0.785	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-51.8	128.7	168.3	45.6	0	0	0	0	108.9	P76	P76-T78 PolarHBondContact O-N 3.13Å
79	P	41	Very low	49.3	Very low	118 Å²	118	114 Å²	114	77%	0.766	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-62.2	140.1	-174.6	24.2	-33.3	0	0	0	111.4
80	D	44.1	Very low	50	Low	108 Å²	108	117.8 Å²	117.8	58%	0.578	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-64.6	119.1	178.6	-170.5	-24.3	0	0	0	110	N82 T83	D80-N82 PolarHBondContact O-N 3.31Å; D80-N82 PolarHBondContact OD1-N 3.46Å; D80-T83 PolarHBondContact O-N 2.93Å; D80-T83 PolarHBondContact O-OG1 2.65Å
81	P	47	Very low	51	Low	121 Å²	121	120 Å²	120	79%	0.786	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	-7	-170.7	26	-35.2	0	0	0	114.7
82	N	46.4	Very low	52.5	Low	147 Å²	147	113.2 Å²	113.2	79%	0.786	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.2	12.3	-176.8	-74.6	-31	0	0	0	115.4	D80	D80-N82 PolarHBondContact O-N 3.31Å; D80-N82 PolarHBondContact OD1-N 3.46Å
83	T	45.5	Very low	54	Low	104 Å²	104	117.9 Å²	117.9	64%	0.638	69%	0.687	S	S	*	*	S	Bend	trans	-98.1	124.4	169.7	38.9	0	0	0	0	112.1	D80 A85	D80-T83 PolarHBondContact O-N 2.93Å; D80-T83 PolarHBondContact O-OG1 2.65Å; T83-A85 PolarHBondContact O-N 2.94Å; T83-A85 VanDerWaalsContact O-N 3.1Å
84	P	44.8	Very low	55.5	Low	125 Å²	125	108.5 Å²	108.5	81%	0.812	65%	0.653	S	S	*	*			trans	-72.2	108.2	-177.3	27.8	-33.5	0	0	0	111.4	G86	P84-G86 PolarHBondContact O-N 3.15Å
85	A	48.9	Very low	57.4	Low	106 Å²	106	101.1 Å²	101.1	88%	0.876	63%	0.627	S	S	*	*			trans	41.9	49.1	159.5	0	0	0	0	0	117	T83	T83-A85 PolarHBondContact O-N 2.94Å; T83-A85 VanDerWaalsContact O-N 3.1Å
86	G	42.7	Very low	59.4	Low	67 Å²	67	98.6 Å²	98.6	69%	0.691	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-69	135.1	158.3	0	0	0	0	0	109.9	P84	P84-G86 PolarHBondContact O-N 3.15Å
87	A	48.4	Very low	61.4	Low	86 Å²	86	96.4 Å²	96.4	71%	0.711	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-50.7	143.5	-179.8	0	0	0	0	0	111.8	R89	A87-R89 PolarHBondContact O-N 3.15Å
88	P	51.4	Low	63.4	Low	116 Å²	116	96.5 Å²	96.5	75%	0.753	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-55.3	119.2	-179.8	23.3	-33.6	0	0	0	109.2	V90	P88-V90 PolarHBondContact O-N 3.2Å
89	R	62.5	Low	65.6	Low	172 Å²	172	95.2 Å²	95.2	65%	0.649	56%	0.562	S	S	*	*			trans	-69.5	98.6	-177.4	-60.4	-170.9	-174.1	179.8	5.7	108.6	A87 V253 K254 G255	A87-R89 PolarHBondContact O-N 3.15Å; R89-V253 HydrophobicContact CB-CG1 3.51Å; R89-V253 HydrophobicContact CG-CG1 4.3Å; R89-K254 PolarHBondContact NH1-O 2.87Å; R89-G255 PolarHBondContact NH1-O 3.04Å
90	V	73.1	Confident	67.9	Low	115 Å²	115	90.6 Å²	90.6	70%	0.697	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-63.3	135.4	-177.6	-175.6	0	0	0	0	109.3	P88 S92	P88-V90 PolarHBondContact O-N 3.2Å; V90-S92 PolarHBondContact O-N 2.95Å
91	P	80.4	Confident	70.2	Confident	76 Å²	76	89.4 Å²	89.4	49%	0.494	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-58.9	121.1	169.7	22.1	-31.9	0	0	0	110.5	A251	P91-A251 HydrophobicContact CB-CB 3.92Å
92	S	85.8	Confident	72.4	Confident	6 Å²	6	83.6 Å²	83.6	4%	0.042	49%	0.487	C	S	.	.	P	Polyproline II helix	trans	-76	155.3	175.9	70.4	0	0	0	0	111.1	V90 W252 F267 G272 Y274	V90-S92 PolarHBondContact O-N 2.95Å; S92-W252 WeakPolarHBondContact CB-O 3.2Å; S92-W252 PolarHBondContact N-O 3.11Å; S92-W252 PolarHBondContact OG-O 2.91Å; S92-F267 WeakPolarHBondContact OG-CE1 3.48Å; S92-G272 WeakPolarHBondContact CB-O 3.23Å; S92-Y274 WeakPolarHBondContact OG-CD1 3.41Å
93	R	86.9	Confident	74.7	Confident	191 Å²	191	77 Å²	77	72%	0.721	45%	0.452	S	S	*	.			trans	-117.4	156	177.6	-50	-178.9	84.8	174.5	5.1	110	L95 D273 Y274	R93-L95 PolarHBondContact O-N 3.5Å; R93-D273 WeakPolarHBondContact CB-OD1 3.22Å; R93-D273 PolarHBondContact N-OD1 2.95Å; R93-D273 WeakPolarHBondContact O-CA 3.43Å; R93-D273 VanDerWaalsContact O-CB 3.29Å; R93-D273 WeakPolarHBondContact O-CB 3.26Å; R93-Y274 VanDerWaalsContact O-CD1 3.24Å; R93-Y274 WeakPolarHBondContact O-CD1 3.44Å; R93-Y274 PolarHBondContact O-N 3.23Å
94	N	89.5	Confident	77	Confident	23 Å²	23	72 Å²	72	12%	0.123	42%	0.422	C	S	.	.	B	Isolated β-bridge	trans	-68.3	127.7	172.1	-169.6	-23.5	0	0	0	109.1	F96 Y132 D248 Y274 P276	N94-F96 PolarHBondContact O-N 3.25Å; N94-F96 PolarHBondContact OD1-N 2.82Å; N94-F96 PolarHBondContact OD1-O 2.81Å; N94-Y132 PolarHBondContact ND2-OH 3.37Å; N94-D248 PolarHBondContact ND2-O 3.44Å; N94-Y274 HydrophobicContact CB-CE1 4.05Å; N94-Y274 HydrophobicContact CB-CE2 3.97Å; N94-P276 WeakPolarHBondContact OD1-CD 3.38Å; N94-P276 WeakPolarHBondContact OD1-CG 3.49Å
95	L	89	Confident	79.3	Confident	24 Å²	24	67.3 Å²	67.3	13%	0.126	39%	0.388	C	S	.	.	S	Bend	trans	-61.3	-21.8	177.3	-75.9	170.7	0	0	0	112.9	R93 K171 L187 D273 Y274 Y275	R93-L95 PolarHBondContact O-N 3.5Å; L95-K171 WeakPolarHBondContact O-CE 3.22Å; L95-K171 PolarHBondContact O-NZ 2.98Å; L95-L187 HydrophobicContact CD1-CD2 4.17Å; L95-L187 HydrophobicContact CD2-CD2 4.4Å; L95-D273 HydrophobicContact CD2-CB 3.78Å; L95-D273 HydrophobicContact CG-CB 4.01Å; L95-Y274 WeakPolarHBondContact CG-O 3.32Å; L95-Y274 PolarHBondContact N-O 3.45Å; L95-Y275 HydrophobicContact CD1-CD1 3.65Å; L95-Y275 HydrophobicContact CD1-CD2 4.16Å; L95-Y275 HydrophobicContact CD1-CE1 3.72Å; L95-Y275 HydrophobicContact CD1-CE2 4.2Å; L95-Y275 HydrophobicContact CD1-CG 3.91Å
96	F	89.5	Confident	81.5	Confident	1 Å²	1	62.3 Å²	62.3	0%	0.004	35%	0.346	C	S	.	.	S	Bend	trans	-110.7	105.9	175.1	-68.8	45.4	0	0	0	107.8	N94 T100 M102 Y132 K171 V190 P276	N94-F96 PolarHBondContact O-N 3.25Å; N94-F96 PolarHBondContact OD1-N 2.82Å; N94-F96 PolarHBondContact OD1-O 2.81Å; F96-T100 HydrophobicContact CD2-CG2 3.94Å; F96-T100 HydrophobicContact CG-CG2 4.44Å; F96-M102 HydrophobicContact CE2-CB 4.2Å; F96-Y132 HydrophobicContact CB-CD1 4.35Å; F96-Y132 HydrophobicContact CB-CG 4.49Å; F96-Y132 WeakPolarHBondContact O-CE1 3.49Å; F96-K171 HydrophobicContact CD2-CG 4.11Å; F96-K171 HydrophobicContact CE1-CG 4.11Å; F96-K171 HydrophobicContact CE2-CG 3.61Å; F96-K171 HydrophobicContact CZ-CD 4.48Å; F96-K171 HydrophobicContact CZ-CG 3.61Å; F96-V190 HydrophobicContact CE1-CG2 3.98Å; F96-V190 HydrophobicContact CZ-CG2 3.99Å; F96-P276 HydrophobicContact CB-CG 3.64Å; F96-P276 HydrophobicContact CD1-CG 3.42Å; F96-P276 VanDerWaalsContact CD1-CG 3.42Å; F96-P276 HydrophobicContact CD2-CG 4.08Å; F96-P276 HydrophobicContact CE1-CG 4.06Å; F96-P276 HydrophobicContact CG-CG 3.45Å; F96-P276 VanDerWaalsContact CG-CG 3.45Å
97	P	85.8	Confident	83.9	Confident	81 Å²	81	59.4 Å²	59.4	53%	0.526	31%	0.314	S	S	.	.			trans	-66.1	162.8	171	28.1	-33.8	0	0	0	110.6	T100	P97-T100 VanDerWaalsContact CD-OG1 3.25Å; P97-T100 WeakPolarHBondContact CD-OG1 3.18Å; P97-T100 WeakPolarHBondContact CG-OG1 3.38Å; P97-T100 VanDerWaalsContact O-CB 3.31Å; P97-T100 WeakPolarHBondContact O-CB 3.05Å; P97-T100 PolarHBondContact O-N 3.43Å; P97-T100 PolarHBondContact O-OG1 3.42Å
98	K	86.1	Confident	86	Confident	111 Å²	111	56.1 Å²	56.1	48%	0.483	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	146.3	172.1	-159.2	-165.3	166.8	-173.1	0	111.2	T100	K98-T100 PolarHBondContact O-N 3.31Å
99	D	87.9	Confident	87.9	Confident	101 Å²	101	51.9 Å²	51.9	54%	0.54	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.4	17.1	177.3	-44.4	-51.6	0	0	0	113.5	L101 V131 Y132	D99-L101 PolarHBondContact O-N 2.94Å; D99-V131 HydrophobicContact CB-CG1 4.41Å; D99-Y132 PolarHBondContact N-O 3.4Å
100	T	90.2	Very high	89.1	Confident	21 Å²	21	47.4 Å²	47.4	13%	0.129	25%	0.245	C	C	.	.			trans	-69.3	125.5	170.8	-64.1	0	0	0	0	110.6	F96 P97 K98 Y132 K171	F96-T100 HydrophobicContact CD2-CG2 3.94Å; F96-T100 HydrophobicContact CG-CG2 4.44Å; P97-T100 VanDerWaalsContact CD-OG1 3.25Å; P97-T100 WeakPolarHBondContact CD-OG1 3.18Å; P97-T100 WeakPolarHBondContact CG-OG1 3.38Å; P97-T100 VanDerWaalsContact O-CB 3.31Å; P97-T100 WeakPolarHBondContact O-CB 3.05Å; P97-T100 PolarHBondContact O-N 3.43Å; P97-T100 PolarHBondContact O-OG1 3.42Å; K98-T100 PolarHBondContact O-N 3.31Å; T100-Y132 PolarHBondContact O-N 2.72Å; T100-K171 HydrophobicContact CG2-CD 4.11Å; T100-K171 HydrophobicContact CG2-CG 3.99Å
101	L	92.8	Very high	89.7	Confident	83 Å²	83	47.1 Å²	47.1	44%	0.435	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	130.8	167.7	-65.7	179.1	0	0	0	111.3	D99 L130 V131 K171 S172	D99-L101 PolarHBondContact O-N 2.94Å; L101-L130 CarbonylContact C-O 3.6Å; L101-L130 WeakPolarHBondContact CA-O 3.41Å; L101-V131 HydrophobicContact CD2-CG2 3.97Å; L101-K171 WeakPolarHBondContact O-CA 3.32Å; L101-S172 PolarHBondContact O-N 3.4Å
102	M	93.1	Very high	89.9	Confident	0 Å²	0	50 Å²	50	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	146.7	-179.9	61.2	-175.3	173.8	0	0	112.8	F96 D129 L130 Y132 F169 T170 M245 Y306	F96-M102 HydrophobicContact CE2-CB 4.2Å; M102-D129 PolarHBondContact O-N 2.86Å; M102-L130 HydrophobicContact CE-CB 4.05Å; M102-L130 HydrophobicContact CG-CB 3.93Å; M102-L130 WeakPolarHBondContact CG-O 3.21Å; M102-L130 PolarHBondContact N-O 3.24Å; M102-L130 WeakPolarHBondContact O-CB 3.33Å; M102-L130 PolarHBondContact O-N 3.44Å; M102-Y132 HydrophobicContact CE-CD2 4.27Å; M102-Y132 HydrophobicContact SD-CD2 4.35Å; M102-F169 HydrophobicContact SD-CD1 3.97Å; M102-T170 CarbonylContact C-O 3.56Å; M102-T170 WeakPolarHBondContact CA-O 3.29Å; M102-T170 WeakPolarHBondContact CB-O 3.45Å; M102-M245 HydrophobicContact CE-CG 4.35Å; M102-M245 HydrophobicContact SD-CE 4.1Å; M102-Y306 WeakPolarHBondContact CE-OH 3.46Å
103	D	94.1	Very high	89.9	Confident	8 Å²	8	54.7 Å²	54.7	4%	0.043	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	136.6	174.6	-59.3	-38.1	0	0	0	109.3	Y105 F126 H127 R128 D129 F169 T170 S172 G173	D103-Y105 HydrophobicContact CB-CD2 4.46Å; D103-Y105 HydrophobicContact CB-CE2 3.83Å; D103-F126 HydrophobicContact CB-CE2 4.3Å; D103-H127 WeakPolarHBondContact CA-O 3.2Å; D103-R128 VanDerWaalsContact OD1-CA 3.26Å; D103-R128 WeakPolarHBondContact OD1-CA 3.44Å; D103-D129 PolarHBondContact OD1-N 2.57Å; D103-F169 WeakPolarHBondContact O-CA 3.45Å; D103-T170 PolarHBondContact N-O 2.85Å; D103-T170 PolarHBondContact O-N 3Å; D103-S172 WeakPolarHBondContact OD2-CA 3.4Å; D103-G173 PolarHBondContact OD2-N 2.84Å
104	L	93.6	Very high	89.8	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	122.7	179.1	169.2	57.6	0	0	0	109.7	I106 W125 F126 H127 L130 V167 F169 Y306	L104-I106 HydrophobicContact CD1-CD1 3.82Å; L104-I106 HydrophobicContact CD1-CG1 3.6Å; L104-I106 HydrophobicContact CD2-CD1 3.95Å; L104-I106 HydrophobicContact CG-CD1 3.99Å; L104-I106 HydrophobicContact CG-CG1 4.05Å; L104-W125 HydrophobicContact CD2-CD2 4.49Å; L104-W125 HydrophobicContact CD2-CE3 4.27Å; L104-W125 HydrophobicContact CD2-CH2 4.25Å; L104-W125 HydrophobicContact CD2-CZ2 4.47Å; L104-W125 HydrophobicContact CD2-CZ3 4.15Å; L104-F126 VanDerWaalsContact O-CA 3.31Å; L104-F126 WeakPolarHBondContact O-CA 3.29Å; L104-F126 WeakPolarHBondContact O-CD2 3.14Å; L104-H127 HydrophobicContact CB-CB 4.26Å; L104-H127 PolarHBondContact N-O 3.09Å; L104-H127 PolarHBondContact O-N 2.82Å; L104-L130 HydrophobicContact CB-CD1 3.64Å; L104-L130 HydrophobicContact CD2-CD1 4.07Å; L104-V167 HydrophobicContact CD1-CG1 3.7Å; L104-F169 HydrophobicContact CB-CD1 4.28Å; L104-F169 HydrophobicContact CB-CE1 4.07Å; L104-F169 HydrophobicContact CD1-CD1 4.13Å; L104-F169 HydrophobicContact CD1-CE1 3.65Å; L104-F169 HydrophobicContact CD1-CE2 4.09Å; L104-F169 HydrophobicContact CD1-CZ 3.63Å; L104-F169 HydrophobicContact CD2-CE1 4.32Å; L104-F169 HydrophobicContact CG-CE1 4.23Å; L104-Y306 HydrophobicContact CD2-CD2 4.16Å; L104-Y306 HydrophobicContact CD2-CG 4.41Å
105	Y	93.8	Very high	89.5	Confident	26 Å²	26	47.3 Å²	47.3	10%	0.102	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	126.1	171.4	-61.3	-102.8	0	0	0	109.6	D103 F126 Y168 P176	D103-Y105 HydrophobicContact CB-CD2 4.46Å; D103-Y105 HydrophobicContact CB-CE2 3.83Å; Y105-F126 AromaticContact CD1-CD2 3.58Å; Y105-F126 HydrophobicContact CD1-CD2 3.58Å; Y105-F126 AromaticContact CD1-CE2 3.89Å; Y105-F126 HydrophobicContact CD1-CE2 3.89Å; Y105-F126 HydrophobicContact CD1-CG 4.5Å; Y105-F126 HydrophobicContact CD2-CD2 4.31Å; Y105-F126 HydrophobicContact CD2-CE2 4.22Å; Y105-F126 AromaticContact CE1-CD2 3.52Å; Y105-F126 HydrophobicContact CE1-CD2 3.52Å; Y105-F126 AromaticContact CE1-CE2 3.36Å; Y105-F126 HydrophobicContact CE1-CE2 3.36Å; Y105-F126 HydrophobicContact CE1-CG 4.46Å; Y105-F126 HydrophobicContact CE1-CZ 4.15Å; Y105-F126 HydrophobicContact CE2-CD2 4.25Å; Y105-F126 AromaticContact CE2-CE2 3.73Å; Y105-F126 HydrophobicContact CE2-CE2 3.73Å; Y105-F126 AromaticContact CG-CD2 3.99Å; Y105-F126 HydrophobicContact CG-CD2 3.99Å; Y105-F126 HydrophobicContact CG-CE2 4.29Å; Y105-F126 AromaticContact CZ-CD2 3.88Å; Y105-F126 AromaticContact CZ-CE2 3.27Å; Y105-Y168 PolarHBondContact N-O 3.09Å; Y105-Y168 PolarHBondContact O-N 3.09Å; Y105-P176 HydrophobicContact CD1-CG 4.17Å; Y105-P176 HydrophobicContact CD2-CG 3.93Å; Y105-P176 HydrophobicContact CE1-CG 4.48Å; Y105-P176 HydrophobicContact CE2-CG 4.26Å; Y105-P176 HydrophobicContact CG-CG 3.88Å
106	I	94.1	Very high	89.2	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	121.1	178.7	-62.7	169.7	0	0	0	109.1	L104 F124 W125 I165 H166 V167 I243 L304	L104-I106 HydrophobicContact CD1-CD1 3.82Å; L104-I106 HydrophobicContact CD1-CG1 3.6Å; L104-I106 HydrophobicContact CD2-CD1 3.95Å; L104-I106 HydrophobicContact CG-CD1 3.99Å; L104-I106 HydrophobicContact CG-CG1 4.05Å; I106-F124 HydrophobicContact CG2-CB 4.25Å; I106-F124 PolarHBondContact O-N 2.79Å; I106-W125 HydrophobicContact CB-CB 4.32Å; I106-W125 HydrophobicContact CD1-CB 4.27Å; I106-W125 HydrophobicContact CD1-CD2 4.16Å; I106-W125 HydrophobicContact CD1-CE3 3.46Å; I106-W125 VanDerWaalsContact CD1-CE3 3.46Å; I106-W125 HydrophobicContact CD1-CZ3 4.16Å; I106-W125 PolarHBondContact N-O 2.88Å; I106-W125 PolarHBondContact O-N 2.92Å; I106-I165 HydrophobicContact CG2-CD1 3.65Å; I106-I165 HydrophobicContact CG2-CG1 3.71Å; I106-H166 WeakPolarHBondContact CA-O 3.43Å; I106-V167 HydrophobicContact CG1-CG1 4.24Å; I106-V167 HydrophobicContact CG1-CG2 4.22Å; I106-I243 HydrophobicContact CD1-CD1 3.54Å; I106-I243 HydrophobicContact CG1-CD1 4.36Å; I106-L304 HydrophobicContact CD1-CD1 3.98Å; I106-L304 HydrophobicContact CG2-CD1 3.74Å
107	Y	93.8	Very high	88.9	Confident	6 Å²	6	51.1 Å²	51.1	2%	0.024	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	146.3	175.8	-57.2	-88.9	0	0	0	110.6	F114 F117 A122 L123 H166 Y168 P176	Y107-F114 HydrophobicContact CD1-CD1 4.45Å; Y107-F114 AromaticContact CD1-CE1 3.43Å; Y107-F114 HydrophobicContact CD1-CE1 3.43Å; Y107-F114 VanDerWaalsContact CD1-CE1 3.43Å; Y107-F114 HydrophobicContact CD1-CE2 4.26Å; Y107-F114 AromaticContact CD1-CZ 3.31Å; Y107-F114 HydrophobicContact CD1-CZ 3.31Å; Y107-F114 HydrophobicContact CD2-CD1 4.01Å; Y107-F114 AromaticContact CD2-CE1 3.64Å; Y107-F114 HydrophobicContact CD2-CE1 3.64Å; Y107-F114 HydrophobicContact CD2-CZ 4.31Å; Y107-F114 AromaticContact CE1-CE1 3.77Å; Y107-F114 HydrophobicContact CE1-CE1 3.77Å; Y107-F114 AromaticContact CE1-CZ 3.89Å; Y107-F114 HydrophobicContact CE1-CZ 3.89Å; Y107-F114 AromaticContact CE2-CE1 3.97Å; Y107-F114 HydrophobicContact CE2-CE1 3.97Å; Y107-F114 AromaticContact CG-CD1 3.95Å; Y107-F114 HydrophobicContact CG-CD1 3.95Å; Y107-F114 AromaticContact CG-CE1 3.35Å; Y107-F114 HydrophobicContact CG-CE1 3.35Å; Y107-F114 HydrophobicContact CG-CE2 4.28Å; Y107-F114 AromaticContact CG-CZ 3.55Å; Y107-F114 HydrophobicContact CG-CZ 3.55Å; Y107-F117 HydrophobicContact CE2-CD1 4.01Å; Y107-F117 HydrophobicContact CE2-CE1 4.39Å; Y107-A122 CarbonylContact C-O 3.59Å; Y107-A122 WeakPolarHBondContact CA-O 3.26Å; Y107-L123 HydrophobicContact CD1-CB 4.1Å; Y107-L123 HydrophobicContact CD1-CD1 4.01Å; Y107-L123 HydrophobicContact CE1-CB 3.98Å; Y107-L123 HydrophobicContact CE1-CD1 3.63Å; Y107-L123 HydrophobicContact CE1-CG 4.37Å; Y107-L123 HydrophobicContact CE2-CD1 4.46Å; Y107-H166 PolarHBondContact N-O 2.93Å; Y107-H166 PolarHBondContact O-N 3.39Å; Y107-Y168 AromaticContact CD2-CD2 3.78Å; Y107-Y168 HydrophobicContact CD2-CD2 3.78Å; Y107-Y168 AromaticContact CD2-CE2 3.81Å; Y107-Y168 HydrophobicContact CD2-CE2 3.81Å; Y107-Y168 AromaticContact CE2-CD2 3.98Å; Y107-Y168 HydrophobicContact CE2-CD2 3.98Å; Y107-Y168 HydrophobicContact CE2-CE2 4.22Å; Y107-P176 HydrophobicContact CE2-CG 4.48Å
108	V	91.6	Very high	88.7	Confident	18 Å²	18	52.8 Å²	52.8	11%	0.109	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	128.7	173.3	177	0	0	0	0	108.3	A122 F124 L151 L163 Y164 L196	V108-A122 PolarHBondContact N-O 3.04Å; V108-F124 HydrophobicContact CG2-CB 3.99Å; V108-F124 HydrophobicContact CG2-CD2 4.32Å; V108-F124 HydrophobicContact CG2-CG 4.31Å; V108-L151 HydrophobicContact CG1-CD1 4.15Å; V108-L151 HydrophobicContact CG1-CD2 4.43Å; V108-L163 HydrophobicContact CG1-CD1 3.93Å; V108-L163 HydrophobicContact CG1-CD2 4Å; V108-L163 HydrophobicContact CG1-CG 3.96Å; V108-Y164 WeakPolarHBondContact CA-O 3.16Å; V108-L196 HydrophobicContact CG1-CD1 4.22Å; V108-L196 HydrophobicContact CG2-CD1 4.46Å
109	S	91.4	Very high	88.4	Confident	26 Å²	26	50.8 Å²	50.8	18%	0.182	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	162.7	-177	-171.6	0	0	0	0	111.2	E111 Y164	S109-E111 PolarHBondContact OG-N 3.27Å; S109-Y164 PolarHBondContact N-O 2.79Å; S109-Y164 PolarHBondContact O-N 3.46Å
110	Q	87.9	Confident	88.1	Confident	79 Å²	79	51 Å²	51	37%	0.369	27%	0.274	S	S	.	.	S	Bend	trans	-86	-14.1	170.2	-69.8	162.3	57.6	0	0	112.2	S154 V157 L163	Q110-S154 VanDerWaalsContact CD-OG 3.22Å; Q110-S154 PolarHBondContact NE2-OG 2.83Å; Q110-S154 VanDerWaalsContact NE2-OG 3.07Å; Q110-S154 PolarHBondContact OE1-OG 3.34Å; Q110-S154 VanDerWaalsContact OE1-OG 3.08Å; Q110-V157 HydrophobicContact CG-CG2 3.96Å; Q110-L163 HydrophobicContact CG-CD1 4.06Å
111	E	87	Confident	87.6	Confident	108 Å²	108	56.2 Å²	56.2	51%	0.505	30%	0.3	S	S	.	.	S	Bend	trans	-89	143.3	-179.7	-58.9	-171.3	161.1	0	0	111.5	S109 V113 Y164 H166	S109-E111 PolarHBondContact OG-N 3.27Å; E111-V113 VanDerWaalsContact C-N 3.26Å; E111-V113 PolarHBondContact O-N 2.68Å; E111-Y164 WeakPolarHBondContact O-CD2 3.49Å; E111-H166 PolarHBondContact O-CE1 3.08Å; E111-H166 PolarHBondContact O-NE2 3.41Å; E111-H166 VanDerWaalsContact O-NE2 3.13Å
112	E	84.6	Confident	87.2	Confident	136 Å²	136	52.9 Å²	52.9	64%	0.636	29%	0.285	S	S	*	.	S	Bend	trans	-68.9	-24.7	177.1	-170.4	-176.3	175.6	0	0	112.6	Y164 H166	E112-Y164 HydrophobicContact CB-CE2 4.22Å; E112-Y164 HydrophobicContact CG-CE1 4.4Å; E112-H166 PolarHBondContact O-CE1 2.84Å
113	V	85.1	Confident	87.1	Confident	106 Å²	106	55.3 Å²	55.3	64%	0.642	30%	0.298	S	S	*	.	S	Bend	trans	-122.2	115.3	178	-178.8	0	0	0	0	109.5	E111	E111-V113 VanDerWaalsContact C-N 3.26Å; E111-V113 PolarHBondContact O-N 2.68Å
114	F	85.8	Confident	87	Confident	10 Å²	10	55.6 Å²	55.6	4%	0.044	30%	0.298	C	S	.	.			trans	-80.1	125.4	-179.3	-174.5	-110	0	0	0	112.4	Y107 D116 F117 A122 H166 Y168	Y107-F114 HydrophobicContact CD1-CD1 4.45Å; Y107-F114 AromaticContact CD1-CE1 3.43Å; Y107-F114 HydrophobicContact CD1-CE1 3.43Å; Y107-F114 VanDerWaalsContact CD1-CE1 3.43Å; Y107-F114 HydrophobicContact CD1-CE2 4.26Å; Y107-F114 AromaticContact CD1-CZ 3.31Å; Y107-F114 HydrophobicContact CD1-CZ 3.31Å; Y107-F114 HydrophobicContact CD2-CD1 4.01Å; Y107-F114 AromaticContact CD2-CE1 3.64Å; Y107-F114 HydrophobicContact CD2-CE1 3.64Å; Y107-F114 HydrophobicContact CD2-CZ 4.31Å; Y107-F114 AromaticContact CE1-CE1 3.77Å; Y107-F114 HydrophobicContact CE1-CE1 3.77Å; Y107-F114 AromaticContact CE1-CZ 3.89Å; Y107-F114 HydrophobicContact CE1-CZ 3.89Å; Y107-F114 AromaticContact CE2-CE1 3.97Å; Y107-F114 HydrophobicContact CE2-CE1 3.97Å; Y107-F114 AromaticContact CG-CD1 3.95Å; Y107-F114 HydrophobicContact CG-CD1 3.95Å; Y107-F114 AromaticContact CG-CE1 3.35Å; Y107-F114 HydrophobicContact CG-CE1 3.35Å; Y107-F114 HydrophobicContact CG-CE2 4.28Å; Y107-F114 AromaticContact CG-CZ 3.55Å; Y107-F114 HydrophobicContact CG-CZ 3.55Å; F114-D116 HydrophobicContact CE2-CB 4.27Å; F114-D116 VanDerWaalsContact CZ-C 3.42Å; F114-D116 HydrophobicContact CZ-CB 4.4Å; F114-D116 VanDerWaalsContact CZ-O 3.32Å; F114-D116 WeakPolarHBondContact CZ-O 3.14Å; F114-F117 AromaticContact CD1-CD1 3.89Å; F114-F117 HydrophobicContact CD1-CD1 3.89Å; F114-F117 AromaticContact CD1-CE1 3.7Å; F114-F117 HydrophobicContact CD1-CE1 3.7Å; F114-F117 HydrophobicContact CD1-CE2 4.34Å; F114-F117 HydrophobicContact CD1-CG 4.3Å; F114-F117 AromaticContact CD1-CZ 3.93Å; F114-F117 HydrophobicContact CD1-CZ 3.93Å; F114-F117 HydrophobicContact CE1-CB 4.4Å; F114-F117 AromaticContact CE1-CD1 3.68Å; F114-F117 HydrophobicContact CE1-CD1 3.68Å; F114-F117 AromaticContact CE1-CE1 3.99Å; F114-F117 HydrophobicContact CE1-CE1 3.99Å; F114-F117 AromaticContact CE1-CG 3.95Å; F114-F117 HydrophobicContact CE1-CG 3.95Å; F114-A122 HydrophobicContact CE2-CB 4Å; F114-A122 HydrophobicContact CZ-CB 4.21Å; F114-H166 HydrophobicContact CB-CB 4.2Å; F114-Y168 HydrophobicContact CD1-CE2 4.22Å
115	S	81.8	Confident	86.9	Confident	48 Å²	48	56.3 Å²	56.3	34%	0.336	30%	0.301	S	S	.	.			trans	-117.6	-11.5	-177	67	0	0	0	0	114.6	K179	S115-K179 PolarHBondContact O-NZ 3.41Å
116	D	83.5	Confident	86.9	Confident	88 Å²	88	58.4 Å²	58.4	47%	0.471	31%	0.311	S	S	.	.			trans	-110.3	49.6	-161.8	-77.2	-8.1	0	0	0	113.7	F114 N118 N119	F114-D116 HydrophobicContact CE2-CB 4.27Å; F114-D116 VanDerWaalsContact CZ-C 3.42Å; F114-D116 HydrophobicContact CZ-CB 4.4Å; F114-D116 VanDerWaalsContact CZ-O 3.32Å; F114-D116 WeakPolarHBondContact CZ-O 3.14Å; D116-N118 PolarHBondContact O-N 2.8Å; D116-N119 HydrophobicContact CB-CB 4.49Å; D116-N119 WeakPolarHBondContact O-CB 3.37Å; D116-N119 PolarHBondContact O-N 3.05Å
117	F	82.9	Confident	86.8	Confident	17 Å²	17	60.5 Å²	60.5	8%	0.075	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-12.2	-179	-59.9	-85.6	0	0	0	116.7	Y107 F114 Y168 P176 D177	Y107-F117 HydrophobicContact CE2-CD1 4.01Å; Y107-F117 HydrophobicContact CE2-CE1 4.39Å; F114-F117 AromaticContact CD1-CD1 3.89Å; F114-F117 HydrophobicContact CD1-CD1 3.89Å; F114-F117 AromaticContact CD1-CE1 3.7Å; F114-F117 HydrophobicContact CD1-CE1 3.7Å; F114-F117 HydrophobicContact CD1-CE2 4.34Å; F114-F117 HydrophobicContact CD1-CG 4.3Å; F114-F117 AromaticContact CD1-CZ 3.93Å; F114-F117 HydrophobicContact CD1-CZ 3.93Å; F114-F117 HydrophobicContact CE1-CB 4.4Å; F114-F117 AromaticContact CE1-CD1 3.68Å; F114-F117 HydrophobicContact CE1-CD1 3.68Å; F114-F117 AromaticContact CE1-CE1 3.99Å; F114-F117 HydrophobicContact CE1-CE1 3.99Å; F114-F117 AromaticContact CE1-CG 3.95Å; F114-F117 HydrophobicContact CE1-CG 3.95Å; F117-Y168 HydrophobicContact CE1-CD2 4.43Å; F117-Y168 AromaticContact CE1-CE1 3.97Å; F117-Y168 HydrophobicContact CE1-CE1 3.97Å; F117-Y168 AromaticContact CE1-CE2 3.81Å; F117-Y168 HydrophobicContact CE1-CE2 3.81Å; F117-Y168 AromaticContact CE1-CZ 3.56Å; F117-Y168 HydrophobicContact CZ-CE1 4.12Å; F117-Y168 HydrophobicContact CZ-CE2 4.42Å; F117-Y168 AromaticContact CZ-CZ 3.76Å; F117-Y168 WeakPolarHBondContact CZ-OH 2.99Å; F117-P176 HydrophobicContact CD1-CB 4.38Å; F117-P176 HydrophobicContact CD1-CG 4.23Å; F117-P176 HydrophobicContact CE1-CB 4.1Å; F117-P176 HydrophobicContact CE1-CG 4.42Å; F117-D177 HydrophobicContact CB-CB 3.65Å; F117-D177 HydrophobicContact CD1-CB 4.26Å; F117-D177 HydrophobicContact CD2-CB 3.91Å; F117-D177 HydrophobicContact CG-CB 3.67Å
118	N	81.3	Confident	86.7	Confident	116 Å²	116	67.7 Å²	67.7	62%	0.62	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-8.4	175.7	-70.2	-25.8	0	0	0	113.2	D116 T120 R180	D116-N118 PolarHBondContact O-N 2.8Å; N118-T120 PolarHBondContact O-N 2.88Å; N118-R180 PolarHBondContact OD1-NH2 2.96Å
119	N	81.2	Confident	86.5	Confident	70 Å²	70	71 Å²	71	37%	0.374	37%	0.365	S	S	.	.			trans	-78	114.9	176.9	-173.7	-10.8	0	0	0	110.1	D116 D121 A122	D116-N119 HydrophobicContact CB-CB 4.49Å; D116-N119 WeakPolarHBondContact O-CB 3.37Å; D116-N119 PolarHBondContact O-N 3.05Å; N119-D121 VanDerWaalsContact C-N 3.32Å; N119-D121 WeakPolarHBondContact OD1-CB 3.42Å; N119-D121 PolarHBondContact OD1-N 3.42Å; N119-A122 HydrophobicContact CB-CB 4.13Å
120	T	79.9	Confident	86.5	Confident	106 Å²	106	70 Å²	70	65%	0.65	36%	0.357	S	S	*	.	S	Bend	trans	-70.4	-26.7	178	44.9	0	0	0	0	113.3	N118 L123	N118-T120 PolarHBondContact O-N 2.88Å; T120-L123 WeakPolarHBondContact O-CB 3.35Å; T120-L123 PolarHBondContact O-N 3.31Å
121	D	80.7	Confident	86.6	Confident	129 Å²	129	68.3 Å²	68.3	69%	0.69	35%	0.353	S	S	*	.	S	Bend	trans	-80.8	-32.3	-173.3	-54	-19.5	0	0	0	110.5	N119 L123	N119-D121 VanDerWaalsContact C-N 3.32Å; N119-D121 WeakPolarHBondContact OD1-CB 3.42Å; N119-D121 PolarHBondContact OD1-N 3.42Å; D121-L123 VanDerWaalsContact C-N 3.28Å; D121-L123 PolarHBondContact O-N 3.27Å
122	A	85.1	Confident	86.7	Confident	14 Å²	14	63.2 Å²	63.2	12%	0.116	33%	0.329	C	S	.	.	S	Bend	trans	-69.7	-21.8	171	0	0	0	0	0	113.1	Y107 V108 F114 N119 F124	Y107-A122 CarbonylContact C-O 3.59Å; Y107-A122 WeakPolarHBondContact CA-O 3.26Å; V108-A122 PolarHBondContact N-O 3.04Å; F114-A122 HydrophobicContact CE2-CB 4Å; F114-A122 HydrophobicContact CZ-CB 4.21Å; N119-A122 HydrophobicContact CB-CB 4.13Å; A122-F124 PolarHBondContact O-N 3.16Å
123	L	90.2	Very high	86.7	Confident	51 Å²	51	57.2 Å²	57.2	27%	0.267	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	110.4	175.4	-177.1	68.3	0	0	0	109.4	Y107 T120 D121 F126	Y107-L123 HydrophobicContact CD1-CB 4.1Å; Y107-L123 HydrophobicContact CD1-CD1 4.01Å; Y107-L123 HydrophobicContact CE1-CB 3.98Å; Y107-L123 HydrophobicContact CE1-CD1 3.63Å; Y107-L123 HydrophobicContact CE1-CG 4.37Å; Y107-L123 HydrophobicContact CE2-CD1 4.46Å; T120-L123 WeakPolarHBondContact O-CB 3.35Å; T120-L123 PolarHBondContact O-N 3.31Å; D121-L123 VanDerWaalsContact C-N 3.28Å; D121-L123 PolarHBondContact O-N 3.27Å; L123-F126 HydrophobicContact CD1-CB 4.44Å; L123-F126 HydrophobicContact CD2-CB 4.26Å
124	F	90.9	Very high	86.7	Confident	13 Å²	13	54 Å²	54	6%	0.057	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	-48.1	-179.7	-177.1	-89.2	0	0	0	111.8	I106 V108 A122 Q147 K149 L151 L302 L304	I106-F124 HydrophobicContact CG2-CB 4.25Å; I106-F124 PolarHBondContact O-N 2.79Å; V108-F124 HydrophobicContact CG2-CB 3.99Å; V108-F124 HydrophobicContact CG2-CD2 4.32Å; V108-F124 HydrophobicContact CG2-CG 4.31Å; A122-F124 PolarHBondContact O-N 3.16Å; F124-Q147 HydrophobicContact CE1-CG 4.24Å; F124-K149 HydrophobicContact CD2-CB 4.37Å; F124-K149 HydrophobicContact CD2-CD 4.12Å; F124-K149 HydrophobicContact CE2-CB 3.61Å; F124-K149 HydrophobicContact CE2-CD 4.19Å; F124-K149 HydrophobicContact CE2-CG 4.13Å; F124-K149 HydrophobicContact CZ-CB 3.79Å; F124-L151 HydrophobicContact CD2-CD2 3.73Å; F124-L151 HydrophobicContact CD2-CG 4.44Å; F124-L151 HydrophobicContact CE2-CD2 3.98Å; F124-L151 HydrophobicContact CE2-CG 4.23Å; F124-L302 HydrophobicContact CD2-CD2 4.26Å; F124-L302 HydrophobicContact CE1-CD2 4.43Å; F124-L302 HydrophobicContact CE2-CB 3.92Å; F124-L302 HydrophobicContact CE2-CD2 3.79Å; F124-L302 HydrophobicContact CE2-CG 4.13Å; F124-L302 HydrophobicContact CZ-CB 3.9Å; F124-L302 HydrophobicContact CZ-CD2 3.9Å; F124-L302 HydrophobicContact CZ-CG 3.89Å; F124-L304 HydrophobicContact CD1-CD1 3.41Å; F124-L304 VanDerWaalsContact CD1-CD1 3.41Å; F124-L304 HydrophobicContact CD1-CG 4.08Å; F124-L304 HydrophobicContact CE1-CB 4.14Å; F124-L304 HydrophobicContact CE1-CD1 3.44Å; F124-L304 VanDerWaalsContact CE1-CD1 3.44Å; F124-L304 HydrophobicContact CE1-CG 3.56Å; F124-L304 HydrophobicContact CG-CD1 4.36Å; F124-L304 HydrophobicContact CZ-CD1 4.39Å; F124-L304 HydrophobicContact CZ-CG 4.23Å
125	W	93.1	Very high	86.7	Confident	16 Å²	16	58 Å²	58	6%	0.061	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	138.5	-177.3	-178.4	26.7	0	0	0	110.4	L104 I106 H127 Q147 L304	L104-W125 HydrophobicContact CD2-CD2 4.49Å; L104-W125 HydrophobicContact CD2-CE3 4.27Å; L104-W125 HydrophobicContact CD2-CH2 4.25Å; L104-W125 HydrophobicContact CD2-CZ2 4.47Å; L104-W125 HydrophobicContact CD2-CZ3 4.15Å; I106-W125 HydrophobicContact CB-CB 4.32Å; I106-W125 HydrophobicContact CD1-CB 4.27Å; I106-W125 HydrophobicContact CD1-CD2 4.16Å; I106-W125 HydrophobicContact CD1-CE3 3.46Å; I106-W125 VanDerWaalsContact CD1-CE3 3.46Å; I106-W125 HydrophobicContact CD1-CZ3 4.16Å; I106-W125 PolarHBondContact N-O 2.88Å; I106-W125 PolarHBondContact O-N 2.92Å; W125-H127 HydrophobicContact CZ2-CB 4.45Å; W125-Q147 HydrophobicContact CB-CB 4.42Å; W125-Q147 HydrophobicContact CB-CG 4.17Å; W125-Q147 HydrophobicContact CD2-CB 3.72Å; W125-Q147 HydrophobicContact CD2-CG 4.35Å; W125-Q147 HydrophobicContact CE3-CB 4Å; W125-Q147 HydrophobicContact CG-CB 3.89Å; W125-Q147 HydrophobicContact CG-CG 3.96Å; W125-L304 HydrophobicContact CE3-CB 4.09Å; W125-L304 HydrophobicContact CZ3-CB 4.24Å
126	F	93.3	Very high	86.9	Confident	69 Å²	69	59.3 Å²	59.3	30%	0.303	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	128.1	172.7	174.3	-123.9	0	0	0	109	D103 L104 Y105 L123 R128	D103-F126 HydrophobicContact CB-CE2 4.3Å; L104-F126 VanDerWaalsContact O-CA 3.31Å; L104-F126 WeakPolarHBondContact O-CA 3.29Å; L104-F126 WeakPolarHBondContact O-CD2 3.14Å; Y105-F126 AromaticContact CD1-CD2 3.58Å; Y105-F126 HydrophobicContact CD1-CD2 3.58Å; Y105-F126 AromaticContact CD1-CE2 3.89Å; Y105-F126 HydrophobicContact CD1-CE2 3.89Å; Y105-F126 HydrophobicContact CD1-CG 4.5Å; Y105-F126 HydrophobicContact CD2-CD2 4.31Å; Y105-F126 HydrophobicContact CD2-CE2 4.22Å; Y105-F126 AromaticContact CE1-CD2 3.52Å; Y105-F126 HydrophobicContact CE1-CD2 3.52Å; Y105-F126 AromaticContact CE1-CE2 3.36Å; Y105-F126 HydrophobicContact CE1-CE2 3.36Å; Y105-F126 HydrophobicContact CE1-CG 4.46Å; Y105-F126 HydrophobicContact CE1-CZ 4.15Å; Y105-F126 HydrophobicContact CE2-CD2 4.25Å; Y105-F126 AromaticContact CE2-CE2 3.73Å; Y105-F126 HydrophobicContact CE2-CE2 3.73Å; Y105-F126 AromaticContact CG-CD2 3.99Å; Y105-F126 HydrophobicContact CG-CD2 3.99Å; Y105-F126 HydrophobicContact CG-CE2 4.29Å; Y105-F126 AromaticContact CZ-CD2 3.88Å; Y105-F126 AromaticContact CZ-CE2 3.27Å; L123-F126 HydrophobicContact CD1-CB 4.44Å; L123-F126 HydrophobicContact CD2-CB 4.26Å; F126-R128 HydrophobicContact CE1-CG 3.72Å; F126-R128 HydrophobicContact CE2-CG 4.12Å; F126-R128 HydrophobicContact CZ-CG 3.39Å
127	H	91.3	Very high	86.7	Confident	45 Å²	45	58.3 Å²	58.3	21%	0.208	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	135.8	175.3	-161.6	-66.2	0	0	0	109.3	D103 L104 W125 L130 Y145	D103-H127 WeakPolarHBondContact CA-O 3.2Å; L104-H127 HydrophobicContact CB-CB 4.26Å; L104-H127 PolarHBondContact N-O 3.09Å; L104-H127 PolarHBondContact O-N 2.82Å; W125-H127 HydrophobicContact CZ2-CB 4.45Å; H127-L130 HydrophobicContact CB-CD1 4.35Å; H127-L130 WeakPolarHBondContact ND1-CD2 3.45Å; H127-Y145 AromaticContact CE1-CE1 3.92Å; H127-Y145 AromaticContact CE1-CZ 3.92Å; H127-Y145 AromaticContact NE2-CD1 3.46Å; H127-Y145 WeakPolarHBondContact NE2-CD1 3.24Å; H127-Y145 AromaticContact NE2-CE1 3.38Å; H127-Y145 WeakPolarHBondContact NE2-CE1 3.36Å; H127-Y145 AromaticContact NE2-CG 3.96Å; H127-Y145 AromaticContact NE2-CZ 3.82Å
128	R	91.7	Very high	86.5	Confident	157 Å²	157	58.6 Å²	58.6	59%	0.592	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.8	160.9	178.1	-69.3	-172.1	-178.7	-178.8	-0.6	112.3	D103 F126 L130	D103-R128 VanDerWaalsContact OD1-CA 3.26Å; D103-R128 WeakPolarHBondContact OD1-CA 3.44Å; F126-R128 HydrophobicContact CE1-CG 3.72Å; F126-R128 HydrophobicContact CE2-CG 4.12Å; F126-R128 HydrophobicContact CZ-CG 3.39Å; R128-L130 PolarHBondContact O-N 2.83Å
129	D	88.4	Confident	86.3	Confident	87 Å²	87	62.3 Å²	62.3	47%	0.465	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	53.4	34.2	163.1	-55	-51.8	0	0	0	114.2	M102 D103 S172	M102-D129 PolarHBondContact O-N 2.86Å; D103-D129 PolarHBondContact OD1-N 2.57Å; D129-S172 PolarHBondContact OD1-OG 3.45Å
130	L	90.4	Very high	86.2	Confident	4 Å²	4	63.9 Å²	63.9	2%	0.021	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	143	167.4	-65.8	170.8	0	0	0	108.8	L101 M102 L104 H127 R128 Y145 F169 Y306	L101-L130 CarbonylContact C-O 3.6Å; L101-L130 WeakPolarHBondContact CA-O 3.41Å; M102-L130 HydrophobicContact CE-CB 4.05Å; M102-L130 HydrophobicContact CG-CB 3.93Å; M102-L130 WeakPolarHBondContact CG-O 3.21Å; M102-L130 PolarHBondContact N-O 3.24Å; M102-L130 WeakPolarHBondContact O-CB 3.33Å; M102-L130 PolarHBondContact O-N 3.44Å; L104-L130 HydrophobicContact CB-CD1 3.64Å; L104-L130 HydrophobicContact CD2-CD1 4.07Å; H127-L130 HydrophobicContact CB-CD1 4.35Å; H127-L130 WeakPolarHBondContact ND1-CD2 3.45Å; R128-L130 PolarHBondContact O-N 2.83Å; L130-Y145 HydrophobicContact CD2-CD2 3.77Å; L130-Y145 HydrophobicContact CD2-CE2 3.39Å; L130-F169 HydrophobicContact CD1-CE1 4.47Å; L130-Y306 HydrophobicContact CD1-CE1 4.4Å; L130-Y306 HydrophobicContact CD1-CE2 4.4Å; L130-Y306 HydrophobicContact CD2-CE1 4.33Å
131	V	90.8	Very high	86.2	Confident	45 Å²	45	61 Å²	61	27%	0.273	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	126.5	-179.8	-175.3	0	0	0	0	109.8	D99 L101 G133 D134	D99-V131 HydrophobicContact CB-CG1 4.41Å; L101-V131 HydrophobicContact CD2-CG2 3.97Å; V131-G133 PolarHBondContact O-N 3.34Å; V131-D134 HydrophobicContact CB-CB 3.7Å; V131-D134 HydrophobicContact CG1-CB 4.1Å; V131-D134 PolarHBondContact O-N 3.28Å
132	Y	89.1	Confident	86.3	Confident	1 Å²	1	58.1 Å²	58.1	0%	0.004	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	115.6	177	-177	-107.9	0	0	0	111.2	N94 F96 D99 T100 M102 M245 V246 D248 P276	N94-Y132 PolarHBondContact ND2-OH 3.37Å; F96-Y132 HydrophobicContact CB-CD1 4.35Å; F96-Y132 HydrophobicContact CB-CG 4.49Å; F96-Y132 WeakPolarHBondContact O-CE1 3.49Å; D99-Y132 PolarHBondContact N-O 3.4Å; T100-Y132 PolarHBondContact O-N 2.72Å; M102-Y132 HydrophobicContact CE-CD2 4.27Å; M102-Y132 HydrophobicContact SD-CD2 4.35Å; Y132-M245 HydrophobicContact CD2-CG 3.74Å; Y132-M245 HydrophobicContact CD2-SD 4.14Å; Y132-M245 HydrophobicContact CE2-CG 3.61Å; Y132-M245 HydrophobicContact CE2-SD 3.78Å; Y132-V246 WeakPolarHBondContact CE2-O 3.43Å; Y132-V246 PolarHBondContact OH-O 3.09Å; Y132-D248 PolarHBondContact OH-N 3.38Å; Y132-D248 VanDerWaalsContact OH-N 3.08Å; Y132-D248 PolarHBondContact OH-O 2.77Å; Y132-P276 HydrophobicContact CE2-CB 4.33Å
133	G	83.6	Confident	86.2	Confident	10 Å²	10	57.6 Å²	57.6	10%	0.103	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.7	17.8	-176	0	0	0	0	0	114.7	V131	V131-G133 PolarHBondContact O-N 3.34Å
134	D	86.3	Confident	86.2	Confident	38 Å²	38	56.1 Å²	56.1	20%	0.203	31%	0.311	C	S	.	.			trans	-86.1	136.6	171	178.2	20.1	0	0	0	111.9	V131 A136 T137 P308	V131-D134 HydrophobicContact CB-CB 3.7Å; V131-D134 HydrophobicContact CG1-CB 4.1Å; V131-D134 PolarHBondContact O-N 3.28Å; D134-A136 PolarHBondContact OD1-N 3.34Å; D134-T137 PolarHBondContact OD1-N 3.42Å; D134-T137 WeakPolarHBondContact OD2-CB 3.25Å; D134-T137 PolarHBondContact OD2-OG1 2.83Å; D134-P308 WeakPolarHBondContact O-CG 3.24Å
135	W	85.9	Confident	86.2	Confident	95 Å²	95	58 Å²	58	36%	0.36	32%	0.319	S	S	.	.			trans	-127.9	0	-172.6	-67.9	93.7	0	0	0	112.7	D142 G143 D247 P308	W135-D142 CarbonylContact O-C 3.39Å; W135-G143 PolarHBondContact O-N 2.89Å; W135-D247 HydrophobicContact CZ2-CB 4.13Å; W135-D247 PolarHBondContact NE1-OD2 2.85Å; W135-D247 VanDerWaalsContact NE1-OD2 3.16Å; W135-P308 HydrophobicContact CD2-CB 3.99Å; W135-P308 HydrophobicContact CD2-CG 3.83Å; W135-P308 HydrophobicContact CE3-CB 3.96Å; W135-P308 HydrophobicContact CE3-CG 3.46Å; W135-P308 VanDerWaalsContact CE3-CG 3.46Å; W135-P308 HydrophobicContact CG-CG 4.5Å; W135-P308 HydrophobicContact CH2-CB 3.86Å; W135-P308 HydrophobicContact CH2-CG 4.13Å; W135-P308 HydrophobicContact CZ2-CB 3.89Å; W135-P308 HydrophobicContact CZ2-CG 4.46Å; W135-P308 HydrophobicContact CZ3-CB 3.9Å; W135-P308 HydrophobicContact CZ3-CG 3.63Å
136	A	84.5	Confident	86.1	Confident	74 Å²	74	62.4 Å²	62.4	61%	0.612	34%	0.34	S	S	*	.	S	Bend	trans	-116.8	-22.4	-169.7	0	0	0	0	0	113.9	D134 G141	D134-A136 PolarHBondContact OD1-N 3.34Å; A136-G141 WeakPolarHBondContact O-CA 3.27Å
137	T	80.4	Confident	86.1	Confident	67 Å²	67	62.7 Å²	62.7	41%	0.411	34%	0.342	S	S	.	.			trans	-83.3	160	177.7	-45.3	0	0	0	0	111.5	D134 G143 Y145	D134-T137 PolarHBondContact OD1-N 3.42Å; D134-T137 WeakPolarHBondContact OD2-CB 3.25Å; D134-T137 PolarHBondContact OD2-OG1 2.83Å; T137-G143 CarbonylContact O-C 3.56Å; T137-G143 WeakPolarHBondContact O-CA 3.26Å; T137-G143 PolarHBondContact O-N 2.98Å; T137-Y145 WeakPolarHBondContact CG2-OH 3.44Å
138	G	77.9	Confident	86.2	Confident	24 Å²	24	66.4 Å²	66.4	25%	0.247	36%	0.355	C	S	.	.	S	Bend	trans	115	162.8	-177	0	0	0	0	0	112	S140 G141 C144	G138-S140 PolarHBondContact O-N 3.26Å; G138-G141 PolarHBondContact O-N 3.07Å; G138-G141 VanDerWaalsContact O-N 3.12Å; G138-C144 WeakPolarHBondContact CA-O 3.5Å
139	E	76.8	Confident	86.2	Confident	193 Å²	193	62.8 Å²	62.8	90%	0.902	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-27.8	-173	-64.4	-175.7	150.9	0	0	113.4
140	S	79.3	Confident	86.4	Confident	103 Å²	103	62.9 Å²	62.9	72%	0.72	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.8	3.5	178.6	-62.3	0	0	0	0	113.9	G138 D142	G138-S140 PolarHBondContact O-N 3.26Å; S140-D142 VanDerWaalsContact C-N 3.35Å
141	G	80.8	Confident	86.3	Confident	45 Å²	45	63.9 Å²	63.9	46%	0.464	35%	0.346	S	S	.	.	S	Bend	trans	68.4	28.2	-179.2	0	0	0	0	0	114.8	A136 G138	A136-G141 WeakPolarHBondContact O-CA 3.27Å; G138-G141 PolarHBondContact O-N 3.07Å; G138-G141 VanDerWaalsContact O-N 3.12Å
142	D	82.8	Confident	86.1	Confident	70 Å²	70	67.7 Å²	67.7	37%	0.374	37%	0.365	S	S	.	.	S	Bend	trans	-119	6.3	-169	62.8	-19.4	0	0	0	114.5	W135 S140 C144	W135-D142 CarbonylContact O-C 3.39Å; S140-D142 VanDerWaalsContact C-N 3.35Å; D142-C144 VanDerWaalsContact C-N 3.3Å; D142-C144 WeakPolarHBondContact OD1-CB 3.29Å; D142-C144 PolarHBondContact OD1-N 3.09Å
143	G	82.7	Confident	85.8	Confident	3 Å²	3	69 Å²	69	3%	0.031	37%	0.372	C	S	.	.	S	Bend	trans	83.3	-0.3	-173.2	0	0	0	0	0	114.1	W135 T137 P308	W135-G143 PolarHBondContact O-N 2.89Å; T137-G143 CarbonylContact O-C 3.56Å; T137-G143 WeakPolarHBondContact O-CA 3.26Å; T137-G143 PolarHBondContact O-N 2.98Å; G143-P308 WeakPolarHBondContact O-CD 3.25Å
144	C	89.6	Confident	85.8	Confident	19 Å²	19	70.2 Å²	70.2	13%	0.128	38%	0.379	C	S	.	.			trans	-101.3	145	-168	-62.2	0	0	0	0	114.2	G138 D142 Y306 C307	G138-C144 WeakPolarHBondContact CA-O 3.5Å; D142-C144 VanDerWaalsContact C-N 3.3Å; D142-C144 WeakPolarHBondContact OD1-CB 3.29Å; D142-C144 PolarHBondContact OD1-N 3.09Å; C144-Y306 CarbonylContact C-O 3.57Å; C144-Y306 WeakPolarHBondContact CA-O 3.24Å; C144-C307 HydrophobicContact CB-CB 4.26Å; C144-C307 WeakPolarHBondContact CB-SG 3.33Å; C144-C307 WeakPolarHBondContact SG-CB 3.37Å; C144-C307 CovalentContact SG-SG 2.04Å; C144-C307 PolarHBondContact SG-SG 3.48Å
145	Y	91.2	Very high	85.6	Confident	54 Å²	54	74.7 Å²	74.7	21%	0.212	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	144	173.7	-62.6	-89.3	0	0	0	110	H127 L130 T137 T305 Y306	H127-Y145 AromaticContact CE1-CE1 3.92Å; H127-Y145 AromaticContact CE1-CZ 3.92Å; H127-Y145 AromaticContact NE2-CD1 3.46Å; H127-Y145 WeakPolarHBondContact NE2-CD1 3.24Å; H127-Y145 AromaticContact NE2-CE1 3.38Å; H127-Y145 WeakPolarHBondContact NE2-CE1 3.36Å; H127-Y145 AromaticContact NE2-CG 3.96Å; H127-Y145 AromaticContact NE2-CZ 3.82Å; L130-Y145 HydrophobicContact CD2-CD2 3.77Å; L130-Y145 HydrophobicContact CD2-CE2 3.39Å; T137-Y145 WeakPolarHBondContact CG2-OH 3.44Å; Y145-T305 CarbonylContact O-C 3.57Å; Y145-T305 WeakPolarHBondContact O-CA 3.48Å; Y145-Y306 HydrophobicContact CD2-CD1 4.01Å; Y145-Y306 PolarHBondContact N-O 3.47Å; Y145-Y306 PolarHBondContact O-N 2.94Å
146	Q	92.2	Very high	85.5	Confident	107 Å²	107	77.2 Å²	77.2	50%	0.5	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	141.9	-178.9	-58.6	-168.9	21.5	0	0	111.4	L304 T305	Q146-L304 WeakPolarHBondContact CA-O 3.44Å; Q146-T305 HydrophobicContact CG-CG2 3.98Å
147	Q	92.5	Very high	85.5	Confident	75 Å²	75	73.8 Å²	73.8	35%	0.35	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	126.4	171.9	-174.4	64.7	53.8	0	0	109.5	F124 W125 R303 L304	F124-Q147 HydrophobicContact CE1-CG 4.24Å; W125-Q147 HydrophobicContact CB-CB 4.42Å; W125-Q147 HydrophobicContact CB-CG 4.17Å; W125-Q147 HydrophobicContact CD2-CB 3.72Å; W125-Q147 HydrophobicContact CD2-CG 4.35Å; W125-Q147 HydrophobicContact CE3-CB 4Å; W125-Q147 HydrophobicContact CG-CB 3.89Å; W125-Q147 HydrophobicContact CG-CG 3.96Å; Q147-R303 WeakPolarHBondContact O-CA 3.32Å; Q147-L304 PolarHBondContact N-O 2.97Å; Q147-L304 PolarHBondContact O-N 3.03Å
148	Y	94	Very high	85.7	Confident	124 Å²	124	72.4 Å²	72.4	49%	0.486	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	137	171.1	176.5	-95.3	0	0	0	109.9	E150 P301 L302 R303	Y148-E150 HydrophobicContact CE1-CG 4.3Å; Y148-E150 WeakPolarHBondContact OH-CG 3.31Å; Y148-E150 PolarHBondContact OH-OE1 2.82Å; Y148-P301 HydrophobicContact CE2-CB 3.73Å; Y148-P301 WeakPolarHBondContact OH-CB 3.31Å; Y148-L302 WeakPolarHBondContact CA-O 3.4Å; Y148-R303 HydrophobicContact CD2-CB 4.26Å
149	K	92.1	Very high	85.9	Confident	80 Å²	80	77.4 Å²	77.4	35%	0.348	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	144.3	170.2	175.5	179.7	178.5	-172.3	0	109.1	F124 L302	F124-K149 HydrophobicContact CD2-CB 4.37Å; F124-K149 HydrophobicContact CD2-CD 4.12Å; F124-K149 HydrophobicContact CE2-CB 3.61Å; F124-K149 HydrophobicContact CE2-CD 4.19Å; F124-K149 HydrophobicContact CE2-CG 4.13Å; F124-K149 HydrophobicContact CZ-CB 3.79Å; K149-L302 PolarHBondContact N-O 3.32Å; K149-L302 PolarHBondContact O-N 2.85Å; K149-L302 VanDerWaalsContact O-O 3.11Å
150	E	91.3	Very high	86.2	Confident	90 Å²	90	71.4 Å²	71.4	42%	0.421	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	132.4	170.7	-72.3	168.3	-161	0	0	109.9	Y148 L300	Y148-E150 HydrophobicContact CE1-CG 4.3Å; Y148-E150 WeakPolarHBondContact OH-CG 3.31Å; Y148-E150 PolarHBondContact OH-OE1 2.82Å; E150-L300 WeakPolarHBondContact CA-O 3.23Å
151	L	87.8	Confident	86.5	Confident	24 Å²	24	67.5 Å²	67.5	13%	0.126	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	126.6	176.5	-68.3	174.5	0	0	0	109.7	V108 F124 L163 W237 K299 L300 L302	V108-L151 HydrophobicContact CG1-CD1 4.15Å; V108-L151 HydrophobicContact CG1-CD2 4.43Å; F124-L151 HydrophobicContact CD2-CD2 3.73Å; F124-L151 HydrophobicContact CD2-CG 4.44Å; F124-L151 HydrophobicContact CE2-CD2 3.98Å; F124-L151 HydrophobicContact CE2-CG 4.23Å; L151-L163 HydrophobicContact CD1-CD2 4.34Å; L151-W237 HydrophobicContact CD1-CH2 4Å; L151-W237 HydrophobicContact CD1-CZ2 4.27Å; L151-K299 CarbonylContact O-C 3.57Å; L151-K299 VanDerWaalsContact O-CA 3.29Å; L151-K299 WeakPolarHBondContact O-CA 3.21Å; L151-L300 PolarHBondContact N-O 3.45Å; L151-L300 PolarHBondContact O-N 2.96Å; L151-L302 HydrophobicContact CD1-CB 4.06Å; L151-L302 HydrophobicContact CD1-CD2 3.76Å; L151-L302 HydrophobicContact CG-CB 4.36Å
152	D	87.1	Confident	86.9	Confident	125 Å²	125	67.1 Å²	67.1	67%	0.668	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.9	129.8	168.6	-60.1	-57	0	0	0	109.7	K299	D152-K299 WeakPolarHBondContact OD1-CE 3.46Å; D152-K299 IonicContact OD1-NZ 3.71Å
153	I	83.3	Confident	87.3	Confident	30 Å²	30	64.7 Å²	64.7	15%	0.154	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-91.7	142	-174.4	-42	173.5	0	0	0	110.4	V157 Q158 I293 L297 T298 L300	I153-V157 HydrophobicContact CG2-CB 3.59Å; I153-V157 HydrophobicContact CG2-CG1 3.7Å; I153-Q158 HydrophobicContact CG2-CG 4.1Å; I153-I293 HydrophobicContact CD1-CG2 4.48Å; I153-L297 HydrophobicContact CD1-CB 4.23Å; I153-L297 WeakPolarHBondContact CD1-O 3.21Å; I153-T298 WeakPolarHBondContact CG1-O 3.35Å; I153-T298 PolarHBondContact N-O 3.19Å; I153-L300 HydrophobicContact CD1-CD1 3.71Å; I153-L300 HydrophobicContact CD1-CD2 3.93Å; I153-L300 HydrophobicContact CD1-CG 3.42Å; I153-L300 VanDerWaalsContact CD1-CG 3.42Å; I153-L300 HydrophobicContact CG1-CD1 3.85Å; I153-L300 HydrophobicContact CG1-CG 3.71Å
154	S	83.5	Confident	87.7	Confident	35 Å²	35	66.5 Å²	66.5	25%	0.245	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-85.1	152.5	166.8	75.4	0	0	0	0	112	Q110 K156 V157 Q158	Q110-S154 VanDerWaalsContact CD-OG 3.22Å; Q110-S154 PolarHBondContact NE2-OG 2.83Å; Q110-S154 VanDerWaalsContact NE2-OG 3.07Å; Q110-S154 PolarHBondContact OE1-OG 3.34Å; Q110-S154 VanDerWaalsContact OE1-OG 3.08Å; S154-K156 PolarHBondContact O-N 2.98Å; S154-V157 PolarHBondContact O-N 3.24Å; S154-Q158 PolarHBondContact O-N 3.16Å
155	E	83	Confident	87.9	Confident	132 Å²	132	65.6 Å²	65.6	62%	0.617	32%	0.317	S	S	*	.	H	α-helix	trans	-51.7	-33.4	175.4	-169.3	-178	175.4	0	0	112.8	V157 Q158 Q159	E155-V157 PolarHBondContact O-N 2.95Å; E155-Q158 WeakPolarHBondContact O-CB 3.26Å; E155-Q158 PolarHBondContact O-N 2.89Å; E155-Q159 WeakPolarHBondContact O-CB 3.26Å; E155-Q159 WeakPolarHBondContact O-CG 3.42Å; E155-Q159 PolarHBondContact O-N 2.83Å; E155-Q159 PolarHBondContact OE1-NE2 3.49Å
156	K	84	Confident	88.1	Confident	148 Å²	148	63 Å²	63	64%	0.643	31%	0.307	S	S	*	.	H	α-helix	trans	-59.8	-41.7	174.6	-68.7	-176	177.4	179.8	0	113	S154 Q159 G161	S154-K156 PolarHBondContact O-N 2.98Å; K156-Q159 CarbonylContact O-C 3.54Å; K156-Q159 PolarHBondContact O-N 2.76Å; K156-G161 WeakPolarHBondContact O-CA 3.5Å; K156-G161 PolarHBondContact O-N 3.38Å
157	V	83.9	Confident	88.2	Confident	2 Å²	2	57.9 Å²	57.9	1%	0.012	28%	0.283	C	S	.	.	H	α-helix	trans	-76.8	-29.3	-178.7	175.2	0	0	0	0	111.1	Q110 I153 S154 E155 Q159 N160 L163 I293	Q110-V157 HydrophobicContact CG-CG2 3.96Å; I153-V157 HydrophobicContact CG2-CB 3.59Å; I153-V157 HydrophobicContact CG2-CG1 3.7Å; S154-V157 PolarHBondContact O-N 3.24Å; E155-V157 PolarHBondContact O-N 2.95Å; V157-Q159 VanDerWaalsContact C-N 3.34Å; V157-N160 PolarHBondContact O-N 2.7Å; V157-L163 HydrophobicContact CG2-CB 4.47Å; V157-L163 HydrophobicContact CG2-CD1 4.41Å; V157-I293 HydrophobicContact CG1-CD1 4.31Å
158	Q	83.8	Confident	88.2	Confident	38 Å²	38	55 Å²	55	18%	0.178	27%	0.268	C	S	.	.	H	α-helix	trans	-63.3	-41.3	167.2	-63.9	174.7	-31.4	0	0	111.1	I153 S154 E155 N160 E295 L297	I153-Q158 HydrophobicContact CG2-CG 4.1Å; S154-Q158 PolarHBondContact O-N 3.16Å; E155-Q158 WeakPolarHBondContact O-CB 3.26Å; E155-Q158 PolarHBondContact O-N 2.89Å; Q158-N160 PolarHBondContact O-N 2.91Å; Q158-E295 PolarHBondContact NE2-O 3.48Å; Q158-L297 PolarHBondContact NE2-O 2.87Å
159	Q	82.9	Confident	88.2	Confident	129 Å²	129	49 Å²	49	60%	0.603	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.6	45.9	174	-64.5	172.8	7	0	0	112.8	E155 K156 V157 G161	E155-Q159 WeakPolarHBondContact O-CB 3.26Å; E155-Q159 WeakPolarHBondContact O-CG 3.42Å; E155-Q159 PolarHBondContact O-N 2.83Å; E155-Q159 PolarHBondContact OE1-NE2 3.49Å; K156-Q159 CarbonylContact O-C 3.54Å; K156-Q159 PolarHBondContact O-N 2.76Å; V157-Q159 VanDerWaalsContact C-N 3.34Å; Q159-G161 PolarHBondContact O-N 2.81Å
160	N	83.1	Confident	88.3	Confident	67 Å²	67	45.2 Å²	45.2	36%	0.358	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	22.4	178.7	-81.7	-35.3	0	0	0	116.2	V157 Q158 F199 I233 S235	V157-N160 PolarHBondContact O-N 2.7Å; Q158-N160 PolarHBondContact O-N 2.91Å; N160-F199 HydrophobicContact CB-CE1 4.42Å; N160-F199 WeakPolarHBondContact O-CE1 3.31Å; N160-F199 WeakPolarHBondContact O-CZ 3.48Å; N160-I233 PolarHBondContact ND2-O 3.44Å; N160-S235 WeakPolarHBondContact OD1-CB 3.24Å; N160-S235 PolarHBondContact OD1-N 2.89Å
161	G	84.6	Confident	88.3	Confident	21 Å²	21	43.6 Å²	43.6	22%	0.216	22%	0.22	C	C	.	.			trans	-67	155.2	172.8	0	0	0	0	0	113.9	K156 Q159 N197	K156-G161 WeakPolarHBondContact O-CA 3.5Å; K156-G161 PolarHBondContact O-N 3.38Å; Q159-G161 PolarHBondContact O-N 2.81Å; G161-N197 PolarHBondContact O-ND2 2.76Å; G161-N197 VanDerWaalsContact O-ND2 3.1Å
162	S	89.2	Confident	88.4	Confident	36 Å²	36	44.6 Å²	44.6	25%	0.252	23%	0.229	S	C	.	.			trans	-80.5	141	174.2	53.3	0	0	0	0	112.3	Y164	S162-Y164 WeakPolarHBondContact OG-CE2 3.38Å
163	L	90.8	Very high	88.3	Confident	19 Å²	19	41.7 Å²	41.7	10%	0.099	23%	0.229	C	C	.	.			trans	-121.7	130.9	169.7	-169.2	71.6	0	0	0	109.7	V108 Q110 L151 V157 M195 L196 N197 W237	V108-L163 HydrophobicContact CG1-CD1 3.93Å; V108-L163 HydrophobicContact CG1-CD2 4Å; V108-L163 HydrophobicContact CG1-CG 3.96Å; Q110-L163 HydrophobicContact CG-CD1 4.06Å; L151-L163 HydrophobicContact CD1-CD2 4.34Å; V157-L163 HydrophobicContact CG2-CB 4.47Å; V157-L163 HydrophobicContact CG2-CD1 4.41Å; L163-M195 CarbonylContact O-C 3.43Å; L163-M195 WeakPolarHBondContact O-CA 3.07Å; L163-L196 HydrophobicContact CD2-CD1 4.03Å; L163-L196 HydrophobicContact CG-CD1 4.29Å; L163-L196 PolarHBondContact O-N 2.87Å; L163-N197 PolarHBondContact N-OD1 3.29Å; L163-W237 HydrophobicContact CD2-CH2 3.99Å; L163-W237 HydrophobicContact CD2-CZ3 3.87Å
164	Y	92.6	Very high	88.6	Confident	41 Å²	41	42.4 Å²	42.4	16%	0.161	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	146.3	-177	-63	-82.1	0	0	0	112.1	V108 S109 E111 E112 S162 T193 K194 M195	V108-Y164 WeakPolarHBondContact CA-O 3.16Å; S109-Y164 PolarHBondContact N-O 2.79Å; S109-Y164 PolarHBondContact O-N 3.46Å; E111-Y164 WeakPolarHBondContact O-CD2 3.49Å; E112-Y164 HydrophobicContact CB-CE2 4.22Å; E112-Y164 HydrophobicContact CG-CE1 4.4Å; S162-Y164 WeakPolarHBondContact OG-CE2 3.38Å; Y164-T193 HydrophobicContact CD1-CG2 4.19Å; Y164-K194 CarbonylContact C-O 3.4Å; Y164-K194 WeakPolarHBondContact CA-O 3.18Å; Y164-M195 HydrophobicContact CD1-CB 4Å; Y164-M195 HydrophobicContact CD1-CG 4.5Å; Y164-M195 HydrophobicContact CE1-CB 3.81Å; Y164-M195 HydrophobicContact CE1-CG 4.18Å
165	I	93.6	Very high	88.8	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	130	166.3	-173.3	171.2	0	0	0	109.2	I106 V167 T193 K194 L196 L241 I243 F280 L304	I106-I165 HydrophobicContact CG2-CD1 3.65Å; I106-I165 HydrophobicContact CG2-CG1 3.71Å; I165-V167 HydrophobicContact CD1-CG2 4.29Å; I165-V167 HydrophobicContact CG1-CG2 4.11Å; I165-T193 VanDerWaalsContact O-CA 3.29Å; I165-T193 WeakPolarHBondContact O-CA 3.33Å; I165-K194 HydrophobicContact CG2-CB 3.99Å; I165-K194 WeakPolarHBondContact CG2-O 3.08Å; I165-K194 PolarHBondContact N-O 3.49Å; I165-K194 PolarHBondContact O-N 3.39Å; I165-L196 HydrophobicContact CB-CD1 4.1Å; I165-L196 HydrophobicContact CB-CD2 3.81Å; I165-L196 HydrophobicContact CB-CG 3.94Å; I165-L196 HydrophobicContact CD1-CD2 4.41Å; I165-L196 HydrophobicContact CG2-CD2 3.54Å; I165-L196 HydrophobicContact CG2-CG 3.99Å; I165-L241 HydrophobicContact CD1-CD2 4.11Å; I165-L241 HydrophobicContact CG2-CD2 4.08Å; I165-I243 HydrophobicContact CD1-CD1 4.23Å; I165-F280 HydrophobicContact CG2-CE1 3.99Å; I165-F280 HydrophobicContact CG2-CZ 4.4Å; I165-L304 HydrophobicContact CD1-CD1 3.65Å; I165-L304 HydrophobicContact CD1-CD2 3.95Å; I165-L304 HydrophobicContact CD1-CG 4.49Å
166	H	94.4	Very high	89	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	115.3	175.9	-47.8	-90.2	0	0	0	108.4	I106 Y107 E111 E112 F114 Y168 H191 T193	I106-H166 WeakPolarHBondContact CA-O 3.43Å; Y107-H166 PolarHBondContact N-O 2.93Å; Y107-H166 PolarHBondContact O-N 3.39Å; E111-H166 PolarHBondContact O-CE1 3.08Å; E111-H166 PolarHBondContact O-NE2 3.41Å; E111-H166 VanDerWaalsContact O-NE2 3.13Å; E112-H166 PolarHBondContact O-CE1 2.84Å; F114-H166 HydrophobicContact CB-CB 4.2Å; H166-Y168 HydrophobicContact CB-CD2 4.45Å; H166-Y168 HydrophobicContact CB-CE2 3.71Å; H166-H191 AromaticContact ND1-NE2 3.83Å; H166-T193 WeakPolarHBondContact ND1-CG2 3.46Å
167	V	94.4	Very high	89.2	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	122.9	179.7	-176.8	0	0	0	0	108.4	L104 I106 I165 F169 S192 I243 V278 F280	L104-V167 HydrophobicContact CD1-CG1 3.7Å; I106-V167 HydrophobicContact CG1-CG1 4.24Å; I106-V167 HydrophobicContact CG1-CG2 4.22Å; I165-V167 HydrophobicContact CD1-CG2 4.29Å; I165-V167 HydrophobicContact CG1-CG2 4.11Å; V167-F169 HydrophobicContact CG1-CD2 3.94Å; V167-F169 HydrophobicContact CG1-CE2 3.42Å; V167-F169 VanDerWaalsContact CG1-CE2 3.42Å; V167-F169 HydrophobicContact CG1-CZ 4.12Å; V167-S192 PolarHBondContact N-O 3.21Å; V167-S192 PolarHBondContact O-N 2.85Å; V167-I243 HydrophobicContact CG1-CG2 4.17Å; V167-I243 HydrophobicContact CG2-CD1 3.75Å; V167-I243 HydrophobicContact CG2-CG1 4.37Å; V167-V278 HydrophobicContact CG1-CG1 4.5Å; V167-F280 HydrophobicContact CB-CE1 4.38Å; V167-F280 HydrophobicContact CB-CZ 4.18Å; V167-F280 HydrophobicContact CG2-CE1 3.46Å; V167-F280 VanDerWaalsContact CG2-CE1 3.46Å; V167-F280 HydrophobicContact CG2-CZ 3.67Å
168	Y	93.8	Very high	89.2	Confident	13 Å²	13	32 Å²	32	5%	0.051	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	130.2	173.2	-59.1	-96.5	0	0	0	109.8	Y105 Y107 F114 F117 H166 P176 T189 V190 H191	Y105-Y168 PolarHBondContact N-O 3.09Å; Y105-Y168 PolarHBondContact O-N 3.09Å; Y107-Y168 AromaticContact CD2-CD2 3.78Å; Y107-Y168 HydrophobicContact CD2-CD2 3.78Å; Y107-Y168 AromaticContact CD2-CE2 3.81Å; Y107-Y168 HydrophobicContact CD2-CE2 3.81Å; Y107-Y168 AromaticContact CE2-CD2 3.98Å; Y107-Y168 HydrophobicContact CE2-CD2 3.98Å; Y107-Y168 HydrophobicContact CE2-CE2 4.22Å; F114-Y168 HydrophobicContact CD1-CE2 4.22Å; F117-Y168 HydrophobicContact CE1-CD2 4.43Å; F117-Y168 AromaticContact CE1-CE1 3.97Å; F117-Y168 HydrophobicContact CE1-CE1 3.97Å; F117-Y168 AromaticContact CE1-CE2 3.81Å; F117-Y168 HydrophobicContact CE1-CE2 3.81Å; F117-Y168 AromaticContact CE1-CZ 3.56Å; F117-Y168 HydrophobicContact CZ-CE1 4.12Å; F117-Y168 HydrophobicContact CZ-CE2 4.42Å; F117-Y168 AromaticContact CZ-CZ 3.76Å; F117-Y168 WeakPolarHBondContact CZ-OH 2.99Å; H166-Y168 HydrophobicContact CB-CD2 4.45Å; H166-Y168 HydrophobicContact CB-CE2 3.71Å; Y168-P176 HydrophobicContact CD1-CB 3.79Å; Y168-P176 HydrophobicContact CD2-CB 4.48Å; Y168-P176 HydrophobicContact CE1-CB 4.48Å; Y168-P176 HydrophobicContact CG-CB 3.79Å; Y168-T189 HydrophobicContact CD1-CG2 4.14Å; Y168-V190 VanDerWaalsContact CA-O 3.27Å; Y168-V190 WeakPolarHBondContact CA-O 3.37Å; Y168-H191 HydrophobicContact CD1-CB 3.89Å; Y168-H191 AromaticContact CD1-CD2 3.7Å; Y168-H191 HydrophobicContact CE1-CB 3.8Å; Y168-H191 AromaticContact CE1-CD2 3.21Å; Y168-H191 WeakPolarHBondContact CE1-CD2 3.49Å; Y168-H191 AromaticContact CE1-CG 3.54Å; Y168-H191 AromaticContact CE1-NE2 3.97Å; Y168-H191 AromaticContact CE2-CD2 3.77Å; Y168-H191 AromaticContact CZ-CD2 3.24Å; Y168-H191 AromaticContact CZ-CG 3.99Å; Y168-H191 AromaticContact CZ-NE2 3.57Å; Y168-H191 PolarHBondContact OH-NE2 2.99Å
169	F	93.8	Very high	89.2	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	124.2	164.8	-68.7	-90.6	0	0	0	108.2	M102 D103 L104 L130 V167 T189 V190 I243 M245 V278 Y306	M102-F169 HydrophobicContact SD-CD1 3.97Å; D103-F169 WeakPolarHBondContact O-CA 3.45Å; L104-F169 HydrophobicContact CB-CD1 4.28Å; L104-F169 HydrophobicContact CB-CE1 4.07Å; L104-F169 HydrophobicContact CD1-CD1 4.13Å; L104-F169 HydrophobicContact CD1-CE1 3.65Å; L104-F169 HydrophobicContact CD1-CE2 4.09Å; L104-F169 HydrophobicContact CD1-CZ 3.63Å; L104-F169 HydrophobicContact CD2-CE1 4.32Å; L104-F169 HydrophobicContact CG-CE1 4.23Å; L130-F169 HydrophobicContact CD1-CE1 4.47Å; V167-F169 HydrophobicContact CG1-CD2 3.94Å; V167-F169 HydrophobicContact CG1-CE2 3.42Å; V167-F169 VanDerWaalsContact CG1-CE2 3.42Å; V167-F169 HydrophobicContact CG1-CZ 4.12Å; F169-T189 CarbonylContact O-C 3.54Å; F169-T189 WeakPolarHBondContact O-CA 3.41Å; F169-V190 HydrophobicContact CB-CB 4.29Å; F169-V190 PolarHBondContact N-O 3.31Å; F169-V190 VanDerWaalsContact N-O 3.09Å; F169-V190 PolarHBondContact O-N 2.81Å; F169-I243 HydrophobicContact CE2-CG2 4.34Å; F169-I243 HydrophobicContact CZ-CG2 4.24Å; F169-M245 HydrophobicContact CB-CE 4.15Å; F169-M245 HydrophobicContact CD1-CE 3.57Å; F169-M245 HydrophobicContact CD2-CE 3.45Å; F169-M245 VanDerWaalsContact CD2-CE 3.45Å; F169-M245 HydrophobicContact CE1-CE 3.7Å; F169-M245 HydrophobicContact CE2-CE 3.58Å; F169-M245 HydrophobicContact CG-CE 3.44Å; F169-M245 VanDerWaalsContact CG-CE 3.44Å; F169-M245 HydrophobicContact CZ-CE 3.7Å; F169-V278 HydrophobicContact CD2-CG2 3.63Å; F169-V278 HydrophobicContact CE2-CB 4.48Å; F169-V278 HydrophobicContact CE2-CG1 3.93Å; F169-V278 HydrophobicContact CE2-CG2 3.65Å; F169-Y306 AromaticContact CE1-CD2 3.94Å; F169-Y306 HydrophobicContact CE1-CD2 3.94Å; F169-Y306 AromaticContact CE1-CE2 3.48Å; F169-Y306 HydrophobicContact CE1-CE2 3.48Å; F169-Y306 VanDerWaalsContact CE1-CE2 3.48Å; F169-Y306 AromaticContact CZ-CD2 3.81Å; F169-Y306 HydrophobicContact CZ-CD2 3.81Å; F169-Y306 AromaticContact CZ-CE2 3.61Å; F169-Y306 HydrophobicContact CZ-CE2 3.61Å
170	T	93.2	Very high	89.2	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	150.4	173	54.4	0	0	0	0	110.3	M102 D103 F174 P176 A188 T189	M102-T170 CarbonylContact C-O 3.56Å; M102-T170 WeakPolarHBondContact CA-O 3.29Å; M102-T170 WeakPolarHBondContact CB-O 3.45Å; D103-T170 PolarHBondContact N-O 2.85Å; D103-T170 PolarHBondContact O-N 3Å; T170-F174 VanDerWaalsContact CB-O 3.22Å; T170-F174 WeakPolarHBondContact CB-O 3.41Å; T170-F174 PolarHBondContact OG1-O 3.34Å; T170-P176 HydrophobicContact CG2-CB 4.18Å; T170-A188 CarbonylContact C-O 3.48Å; T170-A188 WeakPolarHBondContact CA-O 3.28Å; T170-T189 HydrophobicContact CG2-CG2 3.91Å
171	K	92.1	Very high	88.8	Confident	55 Å²	55	41.5 Å²	41.5	24%	0.239	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	142.4	164.1	-62.5	-171.8	178.5	-172.5	0	108.8	L95 F96 T100 L101 G173 F174 A188	L95-K171 WeakPolarHBondContact O-CE 3.22Å; L95-K171 PolarHBondContact O-NZ 2.98Å; F96-K171 HydrophobicContact CD2-CG 4.11Å; F96-K171 HydrophobicContact CE1-CG 4.11Å; F96-K171 HydrophobicContact CE2-CG 3.61Å; F96-K171 HydrophobicContact CZ-CD 4.48Å; F96-K171 HydrophobicContact CZ-CG 3.61Å; T100-K171 HydrophobicContact CG2-CD 4.11Å; T100-K171 HydrophobicContact CG2-CG 3.99Å; L101-K171 WeakPolarHBondContact O-CA 3.32Å; K171-G173 PolarHBondContact O-N 3.12Å; K171-F174 HydrophobicContact CB-CD2 3.96Å; K171-F174 HydrophobicContact CB-CE2 4.47Å; K171-F174 WeakPolarHBondContact O-CB 3.4Å; K171-F174 WeakPolarHBondContact O-CD2 3.34Å; K171-F174 PolarHBondContact O-N 3.2Å; K171-A188 HydrophobicContact CB-CB 4.23Å; K171-A188 HydrophobicContact CD-CB 4.21Å; K171-A188 HydrophobicContact CG-CB 4.1Å; K171-A188 PolarHBondContact N-O 3.44Å
172	S	89.8	Confident	88.4	Confident	46 Å²	46	43.8 Å²	43.8	32%	0.322	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	131.3	-174.7	177.6	0	0	0	0	111.3	L101 D103 D129	L101-S172 PolarHBondContact O-N 3.4Å; D103-S172 WeakPolarHBondContact OD2-CA 3.4Å; D129-S172 PolarHBondContact OD1-OG 3.45Å
173	G	84.7	Confident	88.1	Confident	64 Å²	64	46.9 Å²	46.9	66%	0.66	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.1	-3.2	-175.3	0	0	0	0	0	116.3	D103 K171	D103-G173 PolarHBondContact OD2-N 2.84Å; K171-G173 PolarHBondContact O-N 3.12Å
174	F	89.1	Confident	87.9	Confident	45 Å²	45	49.4 Å²	49.4	20%	0.197	26%	0.263	C	S	.	.			trans	-102.5	146.6	169.2	-64.1	-78.6	0	0	0	111.8	T170 K171 Q183 R185 A188	T170-F174 VanDerWaalsContact CB-O 3.22Å; T170-F174 WeakPolarHBondContact CB-O 3.41Å; T170-F174 PolarHBondContact OG1-O 3.34Å; K171-F174 HydrophobicContact CB-CD2 3.96Å; K171-F174 HydrophobicContact CB-CE2 4.47Å; K171-F174 WeakPolarHBondContact O-CB 3.4Å; K171-F174 WeakPolarHBondContact O-CD2 3.34Å; K171-F174 PolarHBondContact O-N 3.2Å; F174-Q183 CarbonylContact C-O 3.58Å; F174-Q183 VanDerWaalsContact CA-O 3.32Å; F174-Q183 WeakPolarHBondContact CA-O 3.28Å; F174-Q183 WeakPolarHBondContact CB-O 3.4Å; F174-Q183 WeakPolarHBondContact CD1-O 3.27Å; F174-R185 HydrophobicContact CD1-CB 4.05Å; F174-R185 HydrophobicContact CD1-CG 3.81Å; F174-R185 HydrophobicContact CE1-CB 4.25Å; F174-R185 HydrophobicContact CE1-CG 3.61Å; F174-R185 VanDerWaalsContact CE1-NE 3.35Å; F174-R185 HydrophobicContact CZ-CG 4.45Å; F174-A188 HydrophobicContact CD2-CB 4.02Å; F174-A188 HydrophobicContact CE2-CB 4.45Å; F174-A188 HydrophobicContact CG-CB 4.18Å
175	H	89.1	Confident	87.6	Confident	21 Å²	21	54.8 Å²	54.8	10%	0.097	28%	0.283	C	S	.	.			trans	-107.1	143.9	-177.8	-165	-91.7	0	0	0	111.1	D177 R180 Q183 Y184	H175-D177 WeakPolarHBondContact ND1-CB 3.47Å; H175-D177 PolarHBondContact ND1-N 2.97Å; H175-D177 PolarHBondContact O-N 3.01Å; H175-R180 PolarHBondContact NE2-NH1 2.93Å; H175-Q183 HydrophobicContact CB-CB 4.02Å; H175-Q183 PolarHBondContact N-O 3.24Å; H175-Y184 WeakPolarHBondContact O-CD2 3.25Å
176	P	86.9	Confident	87.2	Confident	1 Å²	1	60 Å²	60	1%	0.006	30%	0.303	C	S	.	.	S	Bend	trans	-72.7	-25	-177.4	27.2	-35.9	0	0	0	114.8	Y105 Y107 F117 Y168 T170 P178 Y184 T189	Y105-P176 HydrophobicContact CD1-CG 4.17Å; Y105-P176 HydrophobicContact CD2-CG 3.93Å; Y105-P176 HydrophobicContact CE1-CG 4.48Å; Y105-P176 HydrophobicContact CE2-CG 4.26Å; Y105-P176 HydrophobicContact CG-CG 3.88Å; Y107-P176 HydrophobicContact CE2-CG 4.48Å; F117-P176 HydrophobicContact CD1-CB 4.38Å; F117-P176 HydrophobicContact CD1-CG 4.23Å; F117-P176 HydrophobicContact CE1-CB 4.1Å; F117-P176 HydrophobicContact CE1-CG 4.42Å; Y168-P176 HydrophobicContact CD1-CB 3.79Å; Y168-P176 HydrophobicContact CD2-CB 4.48Å; Y168-P176 HydrophobicContact CE1-CB 4.48Å; Y168-P176 HydrophobicContact CG-CB 3.79Å; T170-P176 HydrophobicContact CG2-CB 4.18Å; P176-P178 VanDerWaalsContact O-CD 3.24Å; P176-P178 WeakPolarHBondContact O-CD 3.49Å; P176-Y184 VanDerWaalsContact O-CD2 3.26Å; P176-Y184 WeakPolarHBondContact O-CD2 3.38Å; P176-Y184 VanDerWaalsContact O-CE2 3.29Å; P176-Y184 WeakPolarHBondContact O-CE2 3.29Å; P176-T189 HydrophobicContact CB-CG2 4.38Å
177	D	87.2	Confident	86.9	Confident	4 Å²	4	63.2 Å²	63.2	2%	0.021	32%	0.32	C	S	.	.			trans	-64.9	113.3	-178.8	-178.7	6.7	0	0	0	113.6	F117 H175 K179 R180 Y184	F117-D177 HydrophobicContact CB-CB 3.65Å; F117-D177 HydrophobicContact CD1-CB 4.26Å; F117-D177 HydrophobicContact CD2-CB 3.91Å; F117-D177 HydrophobicContact CG-CB 3.67Å; H175-D177 WeakPolarHBondContact ND1-CB 3.47Å; H175-D177 PolarHBondContact ND1-N 2.97Å; H175-D177 PolarHBondContact O-N 3.01Å; D177-K179 PolarHBondContact O-N 2.92Å; D177-K179 VanDerWaalsContact O-N 3.15Å; D177-K179 VanDerWaalsContact OD1-CB 3.23Å; D177-K179 WeakPolarHBondContact OD1-CB 3.46Å; D177-K179 WeakPolarHBondContact OD1-CG 3.38Å; D177-K179 PolarHBondContact OD1-N 2.92Å; D177-R180 HydrophobicContact CB-CG 4.25Å; D177-R180 PolarHBondContact O-N 2.86Å; D177-R180 WeakPolarHBondContact OD2-CG 3.18Å; D177-R180 IonicContact OD2-NE 3.87Å; D177-Y184 WeakPolarHBondContact O-CB 3.09Å
178	P	84.1	Confident	86.6	Confident	72 Å²	72	63.5 Å²	63.5	47%	0.468	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-20.1	177.6	-21.2	34.4	0	0	0	114.5	P176 R180 Y184	P176-P178 VanDerWaalsContact O-CD 3.24Å; P176-P178 WeakPolarHBondContact O-CD 3.49Å; P178-R180 VanDerWaalsContact C-N 3.32Å; P178-Y184 HydrophobicContact CB-CD1 4.4Å; P178-Y184 HydrophobicContact CB-CE1 4.33Å; P178-Y184 HydrophobicContact CG-CE2 4.16Å
179	K	84.6	Confident	86.4	Confident	140 Å²	140	63.4 Å²	63.4	61%	0.609	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-24.7	-179.8	-59.6	162.7	-179.8	164.6	0	111.5	S115 D177 K181	S115-K179 PolarHBondContact O-NZ 3.41Å; D177-K179 PolarHBondContact O-N 2.92Å; D177-K179 VanDerWaalsContact O-N 3.15Å; D177-K179 VanDerWaalsContact OD1-CB 3.23Å; D177-K179 WeakPolarHBondContact OD1-CB 3.46Å; D177-K179 WeakPolarHBondContact OD1-CG 3.38Å; D177-K179 PolarHBondContact OD1-N 2.92Å; K179-K181 PolarHBondContact O-N 3.4Å
180	R	83.1	Confident	86.3	Confident	91 Å²	91	63.9 Å²	63.9	34%	0.343	33%	0.326	S	S	.	.	S	Bend	trans	-81.7	78.9	179	-66.4	-175.6	-166.2	-167.7	2.1	112.2	N118 H175 D177 P178 G182 Q183 Y184	N118-R180 PolarHBondContact OD1-NH2 2.96Å; H175-R180 PolarHBondContact NE2-NH1 2.93Å; D177-R180 HydrophobicContact CB-CG 4.25Å; D177-R180 PolarHBondContact O-N 2.86Å; D177-R180 WeakPolarHBondContact OD2-CG 3.18Å; D177-R180 IonicContact OD2-NE 3.87Å; P178-R180 VanDerWaalsContact C-N 3.32Å; R180-G182 PolarHBondContact O-N 3.43Å; R180-Q183 HydrophobicContact CB-CB 4.31Å; R180-Q183 PolarHBondContact O-N 2.8Å; R180-Q183 VanDerWaalsContact O-N 3.13Å; R180-Y184 PolarHBondContact O-N 2.83Å; R180-Y184 VanDerWaalsContact O-N 3.13Å
181	K	73.7	Confident	86.2	Confident	202 Å²	202	67 Å²	67	88%	0.878	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	127.5	174.6	-63.6	-176.4	-179	179.8	0	110.9	K179	K179-K181 PolarHBondContact O-N 3.4Å
182	G	77.3	Confident	86.2	Confident	70 Å²	70	65.2 Å²	65.2	72%	0.722	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.7	-34.4	-178.7	0	0	0	0	0	114.7	R180	R180-G182 PolarHBondContact O-N 3.43Å
183	Q	82.4	Confident	86.3	Confident	101 Å²	101	65.3 Å²	65.3	47%	0.472	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-22.7	177.1	-68.1	178.7	-5.2	0	0	113.3	F174 H175 R180	F174-Q183 CarbonylContact C-O 3.58Å; F174-Q183 VanDerWaalsContact CA-O 3.32Å; F174-Q183 WeakPolarHBondContact CA-O 3.28Å; F174-Q183 WeakPolarHBondContact CB-O 3.4Å; F174-Q183 WeakPolarHBondContact CD1-O 3.27Å; H175-Q183 HydrophobicContact CB-CB 4.02Å; H175-Q183 PolarHBondContact N-O 3.24Å; R180-Q183 HydrophobicContact CB-CB 4.31Å; R180-Q183 PolarHBondContact O-N 2.8Å; R180-Q183 VanDerWaalsContact O-N 3.13Å
184	Y	87	Confident	86.6	Confident	71 Å²	71	64.5 Å²	64.5	28%	0.278	31%	0.312	S	S	.	.			trans	-88.4	136.9	173.5	178.1	-100.4	0	0	0	112.4	H175 P176 D177 P178 R180 R186 T189	H175-Y184 WeakPolarHBondContact O-CD2 3.25Å; P176-Y184 VanDerWaalsContact O-CD2 3.26Å; P176-Y184 WeakPolarHBondContact O-CD2 3.38Å; P176-Y184 VanDerWaalsContact O-CE2 3.29Å; P176-Y184 WeakPolarHBondContact O-CE2 3.29Å; D177-Y184 WeakPolarHBondContact O-CB 3.09Å; P178-Y184 HydrophobicContact CB-CD1 4.4Å; P178-Y184 HydrophobicContact CB-CE1 4.33Å; P178-Y184 HydrophobicContact CG-CE2 4.16Å; R180-Y184 PolarHBondContact O-N 2.83Å; R180-Y184 VanDerWaalsContact O-N 3.13Å; Y184-R186 HydrophobicContact CE1-CB 4.16Å; Y184-T189 HydrophobicContact CE2-CG2 4.26Å
185	R	86.4	Confident	86.7	Confident	155 Å²	155	65.6 Å²	65.6	59%	0.585	32%	0.318	S	S	*	.			trans	-140.9	115.5	168.4	-75.6	-167.9	-175.1	173.1	2	111.1	F174 L187 A188 T189	F174-R185 HydrophobicContact CD1-CB 4.05Å; F174-R185 HydrophobicContact CD1-CG 3.81Å; F174-R185 HydrophobicContact CE1-CB 4.25Å; F174-R185 HydrophobicContact CE1-CG 3.61Å; F174-R185 VanDerWaalsContact CE1-NE 3.35Å; F174-R185 HydrophobicContact CZ-CG 4.45Å; R185-L187 VanDerWaalsContact C-N 3.25Å; R185-L187 PolarHBondContact O-N 3.45Å; R185-L187 VanDerWaalsContact O-N 3.08Å; R185-A188 HydrophobicContact CB-CB 3.91Å; R185-A188 CarbonylContact O-C 3.54Å; R185-A188 WeakPolarHBondContact O-CA 3.25Å; R185-A188 PolarHBondContact O-N 2.89Å; R185-T189 PolarHBondContact O-N 3.37Å; R185-T189 PolarHBondContact O-OG1 2.84Å
186	R	84.6	Confident	86.7	Confident	110 Å²	110	65.6 Å²	65.6	42%	0.415	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-32.1	-178.6	-166.8	-177.6	69.3	78.5	-1.3	115.6	Y184 D268 Y275	Y184-R186 HydrophobicContact CE1-CB 4.16Å; R186-D268 IonicContact CZ-OD1 3.04Å; R186-D268 IonicContact NH1-OD1 3.06Å; R186-D268 PolarHBondContact NH1-OD1 2.82Å; R186-D268 IonicContact NH2-OD1 3.87Å; R186-D268 PolarHBondContact NH2-OD1 3.08Å; R186-D268 IonicContact NH2-OD2 3.17Å; R186-D268 PolarHBondContact NH2-OD2 3.39Å; R186-Y275 PolarHBondContact NH1-OH 2.79Å; R186-Y275 WeakPolarHBondContact O-CE1 3.42Å; R186-Y275 PolarHBondContact O-OH 2.87Å
187	L	87.3	Confident	86.8	Confident	66 Å²	66	65.7 Å²	65.7	35%	0.346	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-11.6	177.2	-63.9	177.7	0	0	0	113.6	L95 R185 D268	L95-L187 HydrophobicContact CD1-CD2 4.17Å; L95-L187 HydrophobicContact CD2-CD2 4.4Å; R185-L187 VanDerWaalsContact C-N 3.25Å; R185-L187 PolarHBondContact O-N 3.45Å; R185-L187 VanDerWaalsContact O-N 3.08Å; L187-D268 HydrophobicContact CD2-CB 4.27Å
188	A	87.6	Confident	86.7	Confident	7 Å²	7	68.5 Å²	68.5	6%	0.058	33%	0.331	C	S	.	.	S	Bend	trans	-105.5	4.3	177.7	0	0	0	0	0	112.6	T170 K171 F174 R185	T170-A188 CarbonylContact C-O 3.48Å; T170-A188 WeakPolarHBondContact CA-O 3.28Å; K171-A188 HydrophobicContact CB-CB 4.23Å; K171-A188 HydrophobicContact CD-CB 4.21Å; K171-A188 HydrophobicContact CG-CB 4.1Å; K171-A188 PolarHBondContact N-O 3.44Å; F174-A188 HydrophobicContact CD2-CB 4.02Å; F174-A188 HydrophobicContact CE2-CB 4.45Å; F174-A188 HydrophobicContact CG-CB 4.18Å; R185-A188 HydrophobicContact CB-CB 3.91Å; R185-A188 CarbonylContact O-C 3.54Å; R185-A188 WeakPolarHBondContact O-CA 3.25Å; R185-A188 PolarHBondContact O-N 2.89Å
189	T	90.1	Very high	86.7	Confident	11 Å²	11	68.7 Å²	68.7	7%	0.067	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	120.4	-179.6	-53.7	0	0	0	0	109.7	Y168 F169 T170 P176 Y184 R185 Y275	Y168-T189 HydrophobicContact CD1-CG2 4.14Å; F169-T189 CarbonylContact O-C 3.54Å; F169-T189 WeakPolarHBondContact O-CA 3.41Å; T170-T189 HydrophobicContact CG2-CG2 3.91Å; P176-T189 HydrophobicContact CB-CG2 4.38Å; Y184-T189 HydrophobicContact CE2-CG2 4.26Å; R185-T189 PolarHBondContact O-N 3.37Å; R185-T189 PolarHBondContact O-OG1 2.84Å; T189-Y275 WeakPolarHBondContact O-CE1 3.43Å
190	V	91.1	Very high	86.3	Confident	9 Å²	9	64.3 Å²	64.3	6%	0.055	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	137.7	168.4	-170.7	0	0	0	0	108.2	F96 Y168 F169 Y275 P276 V278	F96-V190 HydrophobicContact CE1-CG2 3.98Å; F96-V190 HydrophobicContact CZ-CG2 3.99Å; Y168-V190 VanDerWaalsContact CA-O 3.27Å; Y168-V190 WeakPolarHBondContact CA-O 3.37Å; F169-V190 HydrophobicContact CB-CB 4.29Å; F169-V190 PolarHBondContact N-O 3.31Å; F169-V190 VanDerWaalsContact N-O 3.09Å; F169-V190 PolarHBondContact O-N 2.81Å; V190-Y275 HydrophobicContact CG2-CD1 4.18Å; V190-P276 HydrophobicContact CG2-CB 4.23Å; V190-P276 HydrophobicContact CG2-CG 4Å; V190-V278 HydrophobicContact CG1-CG2 3.91Å
191	H	91.8	Very high	85.7	Confident	65 Å²	65	64.5 Å²	64.5	30%	0.301	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	130.1	173	175.8	-125.3	0	0	0	110.9	H166 Y168 T193 K266	H166-H191 AromaticContact ND1-NE2 3.83Å; Y168-H191 HydrophobicContact CD1-CB 3.89Å; Y168-H191 AromaticContact CD1-CD2 3.7Å; Y168-H191 HydrophobicContact CE1-CB 3.8Å; Y168-H191 AromaticContact CE1-CD2 3.21Å; Y168-H191 WeakPolarHBondContact CE1-CD2 3.49Å; Y168-H191 AromaticContact CE1-CG 3.54Å; Y168-H191 AromaticContact CE1-NE2 3.97Å; Y168-H191 AromaticContact CE2-CD2 3.77Å; Y168-H191 AromaticContact CZ-CD2 3.24Å; Y168-H191 AromaticContact CZ-CG 3.99Å; Y168-H191 AromaticContact CZ-NE2 3.57Å; Y168-H191 PolarHBondContact OH-NE2 2.99Å; H191-T193 PolarHBondContact CE1-OG1 3.08Å; H191-T193 PolarHBondContact NE2-OG1 3.35Å; H191-K266 PolarHBondContact O-NZ 3.15Å
192	S	91.5	Very high	85.3	Confident	18 Å²	18	60.3 Å²	60.3	13%	0.126	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	142.1	173.2	-148.4	0	0	0	0	110.2	V167 F280	V167-S192 PolarHBondContact N-O 3.21Å; V167-S192 PolarHBondContact O-N 2.85Å; S192-F280 WeakPolarHBondContact OG-CE2 3.46Å
193	T	92.6	Very high	84.5	Confident	48 Å²	48	60.9 Å²	60.9	29%	0.294	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	144.6	-177.5	-49.5	0	0	0	0	109.6	Y164 I165 H166 H191	Y164-T193 HydrophobicContact CD1-CG2 4.19Å; I165-T193 VanDerWaalsContact O-CA 3.29Å; I165-T193 WeakPolarHBondContact O-CA 3.33Å; H166-T193 WeakPolarHBondContact ND1-CG2 3.46Å; H191-T193 PolarHBondContact CE1-OG1 3.08Å; H191-T193 PolarHBondContact NE2-OG1 3.35Å
194	K	91.3	Very high	83.4	Confident	47 Å²	47	57.5 Å²	57.5	20%	0.204	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	146.9	173.3	178.6	167.5	-177.2	177.3	0	110.5	Y164 I165 F280 D282	Y164-K194 CarbonylContact C-O 3.4Å; Y164-K194 WeakPolarHBondContact CA-O 3.18Å; I165-K194 HydrophobicContact CG2-CB 3.99Å; I165-K194 WeakPolarHBondContact CG2-O 3.08Å; I165-K194 PolarHBondContact N-O 3.49Å; I165-K194 PolarHBondContact O-N 3.39Å; K194-F280 HydrophobicContact CB-CD1 4.21Å; K194-F280 HydrophobicContact CB-CD2 3.7Å; K194-F280 HydrophobicContact CB-CE1 4.23Å; K194-F280 HydrophobicContact CB-CE2 3.72Å; K194-F280 HydrophobicContact CB-CG 3.94Å; K194-F280 HydrophobicContact CB-CZ 3.99Å; K194-F280 HydrophobicContact CD-CB 3.32Å; K194-F280 HydrophobicContact CD-CD1 4.17Å; K194-F280 HydrophobicContact CD-CD2 4Å; K194-F280 HydrophobicContact CD-CG 3.61Å; K194-F280 HydrophobicContact CG-CD2 4.46Å; K194-F280 HydrophobicContact CG-CG 4.42Å; K194-F280 PolarHBondContact NZ-O 2.91Å; K194-D282 IonicContact NZ-OD1 2.62Å; K194-D282 IonicContact NZ-OD2 3.13Å; K194-D282 PolarHBondContact NZ-OD2 2.85Å
195	M	91.5	Very high	81.9	Confident	68 Å²	68	59.1 Å²	59.1	34%	0.335	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	127.7	168.3	-170.6	172.3	61.3	0	0	109.5	L163 Y164 N197 F199	L163-M195 CarbonylContact O-C 3.43Å; L163-M195 WeakPolarHBondContact O-CA 3.07Å; Y164-M195 HydrophobicContact CD1-CB 4Å; Y164-M195 HydrophobicContact CD1-CG 4.5Å; Y164-M195 HydrophobicContact CE1-CB 3.81Å; Y164-M195 HydrophobicContact CE1-CG 4.18Å; M195-N197 WeakPolarHBondContact CE-O 3.49Å; M195-N197 WeakPolarHBondContact CG-O 3.19Å; M195-N197 WeakPolarHBondContact CG-OD1 3.38Å; M195-F199 HydrophobicContact CE-CD2 3.92Å; M195-F199 HydrophobicContact CE-CE2 4.02Å; M195-F199 HydrophobicContact SD-CD2 4.21Å; M195-F199 HydrophobicContact SD-CE2 3.68Å
196	L	89.3	Confident	80.7	Confident	22 Å²	22	57.8 Å²	57.8	12%	0.115	26%	0.263	C	S	.	.	S	Bend	trans	-80.5	-40.8	-177	-70.5	177.8	0	0	0	112.5	V108 L163 I165 W237 L241 L302	V108-L196 HydrophobicContact CG1-CD1 4.22Å; V108-L196 HydrophobicContact CG2-CD1 4.46Å; L163-L196 HydrophobicContact CD2-CD1 4.03Å; L163-L196 HydrophobicContact CG-CD1 4.29Å; L163-L196 PolarHBondContact O-N 2.87Å; I165-L196 HydrophobicContact CB-CD1 4.1Å; I165-L196 HydrophobicContact CB-CD2 3.81Å; I165-L196 HydrophobicContact CB-CG 3.94Å; I165-L196 HydrophobicContact CD1-CD2 4.41Å; I165-L196 HydrophobicContact CG2-CD2 3.54Å; I165-L196 HydrophobicContact CG2-CG 3.99Å; L196-W237 HydrophobicContact CB-CH2 4Å; L196-W237 HydrophobicContact CB-CZ3 3.6Å; L196-W237 HydrophobicContact CD1-CH2 3.86Å; L196-W237 HydrophobicContact CD1-CZ3 4.24Å; L196-L241 HydrophobicContact CD2-CD2 3.58Å; L196-L302 HydrophobicContact CD1-CD2 4.21Å
197	N	88.3	Confident	79.6	Confident	3 Å²	3	54.7 Å²	54.7	2%	0.016	26%	0.256	C	S	.	.	S	Bend	trans	-81.5	140.7	176.8	62.6	-52.5	0	0	0	111.3	G161 L163 M195 F199 S235 H236 I293	G161-N197 PolarHBondContact O-ND2 2.76Å; G161-N197 VanDerWaalsContact O-ND2 3.1Å; L163-N197 PolarHBondContact N-OD1 3.29Å; M195-N197 WeakPolarHBondContact CE-O 3.49Å; M195-N197 WeakPolarHBondContact CG-O 3.19Å; M195-N197 WeakPolarHBondContact CG-OD1 3.38Å; N197-F199 WeakPolarHBondContact ND2-CZ 3.46Å; N197-S235 WeakPolarHBondContact CB-OG 3.33Å; N197-S235 PolarHBondContact ND2-OG 3.13Å; N197-H236 WeakPolarHBondContact CA-O 3.4Å; N197-I293 HydrophobicContact CB-CD1 4.33Å
198	K	85.3	Confident	78.5	Confident	62 Å²	62	56.3 Å²	56.3	27%	0.27	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	116.6	174.3	-172.9	175.1	-178.6	-179.7	0	108.9	K200 H236 Y290 D338	K198-K200 PolarHBondContact O-N 2.88Å; K198-H236 PolarHBondContact N-O 3.17Å; K198-H236 WeakPolarHBondContact O-CB 3.34Å; K198-H236 PolarHBondContact O-N 3.17Å; K198-Y290 HydrophobicContact CB-CD1 4.38Å; K198-Y290 HydrophobicContact CB-CE1 3.99Å; K198-D338 IonicContact NZ-OD2 2.63Å; K198-D338 PolarHBondContact NZ-OD2 2.99Å
199	F	83.5	Confident	77.7	Confident	77 Å²	77	57.3 Å²	57.3	34%	0.338	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	126.3	168.6	-62.8	-65.6	0	0	0	109.5	N160 M195 N197 I233	N160-F199 HydrophobicContact CB-CE1 4.42Å; N160-F199 WeakPolarHBondContact O-CE1 3.31Å; N160-F199 WeakPolarHBondContact O-CZ 3.48Å; M195-F199 HydrophobicContact CE-CD2 3.92Å; M195-F199 HydrophobicContact CE-CE2 4.02Å; M195-F199 HydrophobicContact SD-CD2 4.21Å; M195-F199 HydrophobicContact SD-CE2 3.68Å; N197-F199 WeakPolarHBondContact ND2-CZ 3.46Å; F199-I233 HydrophobicContact CB-CG2 3.94Å; F199-I233 HydrophobicContact CD1-CG2 4.04Å; F199-I233 HydrophobicContact CG-CG2 4.3Å
200	K	76.1	Confident	76.9	Confident	47 Å²	47	58 Å²	58	20%	0.204	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	139.5	171.3	-61.5	-172.2	-178.2	-177	0	109.3	K198 I234 H236 Q287	K198-K200 PolarHBondContact O-N 2.88Å; K200-I234 PolarHBondContact N-O 3.44Å; K200-I234 PolarHBondContact O-N 2.04Å; K200-H236 HydrophobicContact CD-CB 4.5Å; K200-Q287 PolarHBondContact NZ-O 3.34Å
201	R	71.5	Confident	75.8	Confident	95 Å²	95	62 Å²	62	36%	0.358	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	122.4	169.5	-66	178	-175.6	171.6	9.3	108.6	V231 I233 E331 E335	R201-V231 HydrophobicContact CB-CG1 3.79Å; R201-V231 HydrophobicContact CG-CG1 4.03Å; R201-I233 HydrophobicContact CG-CG1 4.34Å; R201-E331 IonicContact CZ-OE2 3.1Å; R201-E331 IonicContact NH1-OE2 2.79Å; R201-E331 IonicContact NH2-OE2 3.46Å; R201-E331 PolarHBondContact NH2-OE2 2.87Å; R201-E335 WeakPolarHBondContact CD-OE1 3.48Å
202	R	64.8	Low	74.3	Confident	114 Å²	114	63.1 Å²	63.1	43%	0.43	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	102	169.4	-167	173.3	-171	172.9	3.8	108.5	F204 M221 E232 I234	R202-F204 HydrophobicContact CG-CE1 4.43Å; R202-F204 HydrophobicContact CG-CE2 4.37Å; R202-F204 HydrophobicContact CG-CZ 4.21Å; R202-M221 PolarHBondContact NH2-SD 2.94Å; R202-E232 PolarHBondContact N-O 3.27Å; R202-E232 PolarHBondContact O-N 3.08Å; R202-E232 VanDerWaalsContact O-N 3.15Å; R202-I234 HydrophobicContact CB-CD1 4.21Å
203	K	61.5	Low	72.8	Confident	83 Å²	83	64.7 Å²	64.7	36%	0.361	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	120.9	168	-70.9	-177.2	174.6	-177.9	0	108.5	L205 V231 D332 E413	K203-L205 PolarHBondContact O-N 3.39Å; K203-V231 HydrophobicContact CG-CG2 4.33Å; K203-D332 WeakPolarHBondContact CE-OD2 3.39Å; K203-D332 IonicContact NZ-OD2 2.7Å; K203-D332 PolarHBondContact NZ-OD2 3.12Å; K203-E413 IonicContact NZ-OE2 2.67Å; K203-E413 PolarHBondContact NZ-OE2 3.02Å; K203-E413 VanDerWaalsContact NZ-OE2 3.1Å
204	F	57.4	Low	71.3	Confident	29 Å²	29	69.2 Å²	69.2	13%	0.127	34%	0.337	C	S	.	.			trans	-89.4	99.4	171.7	-70.4	-81.1	0	0	0	109.8	R202 K206 M221 R224 A225 P230 E232	R202-F204 HydrophobicContact CG-CE1 4.43Å; R202-F204 HydrophobicContact CG-CE2 4.37Å; R202-F204 HydrophobicContact CG-CZ 4.21Å; F204-K206 PolarHBondContact O-N 3.18Å; F204-K206 VanDerWaalsContact O-N 3.09Å; F204-M221 HydrophobicContact CD1-CB 4.2Å; F204-M221 HydrophobicContact CE1-CB 3.8Å; F204-M221 HydrophobicContact CE1-CG 4.02Å; F204-M221 HydrophobicContact CE1-SD 4.16Å; F204-R224 HydrophobicContact CZ-CB 4.44Å; F204-A225 HydrophobicContact CB-CB 3.65Å; F204-A225 HydrophobicContact CD1-CB 4.2Å; F204-A225 HydrophobicContact CD2-CB 3.71Å; F204-A225 HydrophobicContact CE2-CB 4.37Å; F204-A225 HydrophobicContact CG-CB 3.6Å; F204-P230 PolarHBondContact N-O 2.87Å; F204-E232 HydrophobicContact CE2-CB 3.95Å; F204-E232 WeakPolarHBondContact CE2-OE2 3.42Å
205	L	56.7	Low	69.7	Low	105 Å²	105	69 Å²	69	55%	0.55	34%	0.339	S	S	.	.			trans	-68.2	104.9	170.9	-68.3	176.6	0	0	0	109.1	K203 T207	K203-L205 PolarHBondContact O-N 3.39Å; L205-T207 VanDerWaalsContact C-N 3.27Å; L205-T207 PolarHBondContact O-N 3.13Å
206	K	59.9	Low	68	Low	127 Å²	127	75 Å²	75	55%	0.552	37%	0.367	S	S	*	.			trans	-76	77.3	173.8	-63.1	-167.8	179.3	-165.2	0	110.1	F204	F204-K206 PolarHBondContact O-N 3.18Å; F204-K206 VanDerWaalsContact O-N 3.09Å
207	T	61.7	Low	66.2	Low	45 Å²	45	75.8 Å²	75.8	28%	0.276	38%	0.376	S	S	.	.			trans	-74.7	149.7	161.2	56.4	0	0	0	0	109.4	L205 T215 E498	L205-T207 VanDerWaalsContact C-N 3.27Å; L205-T207 PolarHBondContact O-N 3.13Å; T207-T215 WeakPolarHBondContact O-CG2 3.43Å; T207-T215 PolarHBondContact O-OG1 3.14Å; T207-E498 VanDerWaalsContact CB-OE2 3.26Å; T207-E498 WeakPolarHBondContact CB-OE2 3.41Å; T207-E498 PolarHBondContact OG1-OE2 3.25Å
208	K	64.4	Low	64.5	Low	101 Å²	101	80.4 Å²	80.4	44%	0.439	40%	0.401	S	S	.	.	B	Isolated β-bridge	trans	-153.1	153.1	171.9	59	-178.3	178.8	178.7	0	109.5	L210 H499	K208-L210 PolarHBondContact O-N 2.9Å; K208-H499 PolarHBondContact N-O 3.45Å; K208-H499 PolarHBondContact O-N 2.84Å
209	N	72.1	Confident	63.2	Low	27 Å²	27	81.6 Å²	81.6	14%	0.144	42%	0.415	C	S	.	.			trans	-67.3	128	164.3	-171.4	-51.5	0	0	0	108.7	L211 T212 G213 E214 L495	N209-L211 PolarHBondContact O-N 2.98Å; N209-L211 PolarHBondContact OD1-N 2.93Å; N209-T212 WeakPolarHBondContact CB-OG1 3.22Å; N209-T212 PolarHBondContact OD1-N 3Å; N209-G213 WeakPolarHBondContact O-CA 3.41Å; N209-G213 PolarHBondContact O-N 2.91Å; N209-E214 WeakPolarHBondContact CB-O 3.02Å; N209-E214 PolarHBondContact N-O 2.87Å; N209-L495 PolarHBondContact ND2-O 3.32Å
210	L	72.3	Confident	61.9	Low	26 Å²	26	83.5 Å²	83.5	14%	0.136	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-17.9	-174.7	-67.1	179.4	0	0	0	113.6	K208 L494 H499 W502 W505	K208-L210 PolarHBondContact O-N 2.9Å; L210-L494 HydrophobicContact CB-CD1 4.09Å; L210-L494 HydrophobicContact CD1-CD1 4.04Å; L210-H499 HydrophobicContact CD1-CB 4.12Å; L210-H499 HydrophobicContact CG-CB 4.24Å; L210-W502 HydrophobicContact CD1-CD2 4.16Å; L210-W502 HydrophobicContact CD1-CE3 4.13Å; L210-W502 HydrophobicContact CD1-CZ3 4.48Å; L210-W505 HydrophobicContact CD1-CB 3.55Å; L210-W505 HydrophobicContact CD1-CG 3.93Å
211	L	68	Low	60.8	Low	94 Å²	94	84.1 Å²	84.1	49%	0.492	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-42.8	-177.7	-70.4	169.5	0	0	0	113.1	N209 L494 L495	N209-L211 PolarHBondContact O-N 2.98Å; N209-L211 PolarHBondContact OD1-N 2.93Å; L211-L494 HydrophobicContact CD1-CD2 4.19Å; L211-L494 HydrophobicContact CD1-CG 3.87Å; L211-L494 HydrophobicContact CD2-CD2 4.38Å; L211-L494 HydrophobicContact CG-CD2 4.44Å; L211-L494 HydrophobicContact CG-CG 4.12Å; L211-L495 HydrophobicContact CD1-CD2 3.56Å; L211-L495 HydrophobicContact CD1-CG 4.18Å
212	T	59.9	Low	60.2	Low	88 Å²	88	82.7 Å²	82.7	54%	0.54	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-24.1	179.6	61.2	0	0	0	0	113	N209 E214	N209-T212 WeakPolarHBondContact CB-OG1 3.22Å; N209-T212 PolarHBondContact OD1-N 3Å; T212-E214 PolarHBondContact O-N 3.42Å; T212-E214 PolarHBondContact OG1-N 2.86Å
213	G	60.3	Low	59.9	Low	50 Å²	50	84.4 Å²	84.4	52%	0.515	44%	0.439	S	S	.	.			trans	72.8	-2.2	-173.5	0	0	0	0	0	114.3	N209	N209-G213 WeakPolarHBondContact O-CA 3.41Å; N209-G213 PolarHBondContact O-N 2.91Å
214	E	60.4	Low	59.4	Low	144 Å²	144	85.2 Å²	85.2	67%	0.673	44%	0.44	S	S	*	.			trans	-83.7	154.8	174.6	-62.8	176.2	160.1	0	0	110.2	N209 T212	N209-E214 WeakPolarHBondContact CB-O 3.02Å; N209-E214 PolarHBondContact N-O 2.87Å; T212-E214 PolarHBondContact O-N 3.42Å; T212-E214 PolarHBondContact OG1-N 2.86Å
215	T	58.4	Low	59.2	Low	41 Å²	41	84.1 Å²	84.1	25%	0.252	44%	0.436	S	S	.	.			trans	-132.3	139.6	177.5	-49.2	0	0	0	0	107.2	T207 A217 E498	T207-T215 WeakPolarHBondContact O-CG2 3.43Å; T207-T215 PolarHBondContact O-OG1 3.14Å; T215-A217 HydrophobicContact CG2-CB 3.6Å; T215-A217 PolarHBondContact O-N 3.06Å; T215-A217 VanDerWaalsContact O-N 3.12Å; T215-E498 WeakPolarHBondContact CA-OE1 2.83Å; T215-E498 WeakPolarHBondContact CG2-OE1 3.04Å; T215-E498 WeakPolarHBondContact CG2-OE2 3.37Å
216	E	55.6	Low	59.2	Low	195 Å²	195	85.4 Å²	85.4	91%	0.911	44%	0.439	S	S	*	.	S	Bend	trans	-72.2	1.9	174.9	-65.7	-169	159.6	0	0	113.4	E498	E216-E498 PolarHBondContact N-OE1 3.18Å
217	A	51.5	Low	59	Low	38 Å²	38	83.2 Å²	83.2	31%	0.314	44%	0.44	S	S	.	.	S	Bend	trans	-72.9	140.9	-178.9	0	0	0	0	0	113.1	T215 M221	T215-A217 HydrophobicContact CG2-CB 3.6Å; T215-A217 PolarHBondContact O-N 3.06Å; T215-A217 VanDerWaalsContact O-N 3.12Å; A217-M221 HydrophobicContact CB-CE 4.41Å
218	D	54.1	Low	58.5	Low	101 Å²	101	87 Å²	87	54%	0.54	45%	0.454	S	S	.	.			trans	-50.9	122.2	-177.4	-153	-21.4	0	0	0	112.4	E220 M221	D218-E220 PolarHBondContact O-N 2.84Å; D218-M221 HydrophobicContact CB-CE 3.97Å; D218-M221 HydrophobicContact CB-CG 4.33Å; D218-M221 WeakPolarHBondContact O-CB 3.33Å; D218-M221 PolarHBondContact O-N 2.97Å
219	P	57	Low	58	Low	86 Å²	86	83.3 Å²	83.3	56%	0.558	45%	0.445	S	S	*	.	H	α-helix	trans	-62.4	-17.2	-171.7	21.6	-34.4	0	0	0	114.8	K223	P219-K223 PolarHBondContact O-N 2.98Å
220	E	55.5	Low	57.2	Low	117 Å²	117	86.7 Å²	86.7	55%	0.547	47%	0.469	S	S	.	.	H	α-helix	trans	-68.7	-38.7	168.8	-70.6	-154.7	166.1	0	0	113	D218 I222 K223 R224	D218-E220 PolarHBondContact O-N 2.84Å; E220-I222 VanDerWaalsContact C-N 3.31Å; E220-I222 PolarHBondContact O-N 3.48Å; E220-K223 PolarHBondContact O-N 3.05Å; E220-R224 WeakPolarHBondContact O-CG 3.07Å; E220-R224 PolarHBondContact O-N 3.2Å; E220-R224 IonicContact OE2-CZ 2.65Å; E220-R224 IonicContact OE2-NH2 3.88Å; E220-R224 PolarHBondContact OE2-NH2 3.41Å
221	M	54.3	Low	56.7	Low	60 Å²	60	88.5 Å²	88.5	30%	0.296	48%	0.48	S	S	.	.	H	α-helix	trans	-65.7	-37.6	179.5	-69.3	-159.9	-67.4	0	0	111.5	R202 F204 A217 D218 R224 A225	R202-M221 PolarHBondContact NH2-SD 2.94Å; F204-M221 HydrophobicContact CD1-CB 4.2Å; F204-M221 HydrophobicContact CE1-CB 3.8Å; F204-M221 HydrophobicContact CE1-CG 4.02Å; F204-M221 HydrophobicContact CE1-SD 4.16Å; A217-M221 HydrophobicContact CB-CE 4.41Å; D218-M221 HydrophobicContact CB-CE 3.97Å; D218-M221 HydrophobicContact CB-CG 4.33Å; D218-M221 WeakPolarHBondContact O-CB 3.33Å; D218-M221 PolarHBondContact O-N 2.97Å; M221-R224 PolarHBondContact O-N 3.26Å; M221-A225 VanDerWaalsContact O-CB 3.29Å; M221-A225 WeakPolarHBondContact O-CB 3.31Å; M221-A225 PolarHBondContact O-N 2.79Å
222	I	58.4	Low	56.7	Low	66 Å²	66	85.5 Å²	85.5	34%	0.338	46%	0.464	S	S	.	.	H	α-helix	trans	-63.3	-47.8	177.5	-58.3	175	0	0	0	110	E220 R224 A225 E226	E220-I222 VanDerWaalsContact C-N 3.31Å; E220-I222 PolarHBondContact O-N 3.48Å; I222-R224 PolarHBondContact O-N 3.36Å; I222-A225 PolarHBondContact O-N 3.27Å; I222-E226 WeakPolarHBondContact O-CG 3.45Å; I222-E226 PolarHBondContact O-N 2.67Å
223	K	57.6	Low	57.5	Low	150 Å²	150	85.5 Å²	85.5	65%	0.652	46%	0.46	S	S	*	.	H	α-helix	trans	-65.2	-36.1	177.9	-72.6	177.5	178.9	175.8	0	113.7	P219 E220 E226 S227	P219-K223 PolarHBondContact O-N 2.98Å; E220-K223 PolarHBondContact O-N 3.05Å; K223-E226 PolarHBondContact O-N 2.91Å; K223-S227 PolarHBondContact O-N 3.34Å; K223-S227 PolarHBondContact O-OG 2.71Å
224	R	52.8	Low	58.5	Low	100 Å²	100	83.9 Å²	83.9	38%	0.377	44%	0.439	S	S	.	.	H	α-helix	trans	-69.1	-42.9	175.3	-68.5	-176.6	-152.9	-169.9	8	111.5	F204 E220 M221 I222 E226 S227 H228	F204-R224 HydrophobicContact CZ-CB 4.44Å; E220-R224 WeakPolarHBondContact O-CG 3.07Å; E220-R224 PolarHBondContact O-N 3.2Å; E220-R224 IonicContact OE2-CZ 2.65Å; E220-R224 IonicContact OE2-NH2 3.88Å; E220-R224 PolarHBondContact OE2-NH2 3.41Å; M221-R224 PolarHBondContact O-N 3.26Å; I222-R224 PolarHBondContact O-N 3.36Å; R224-E226 PolarHBondContact O-N 2.85Å; R224-S227 WeakPolarHBondContact CA-OG 3.26Å; R224-S227 PolarHBondContact O-N 3.28Å; R224-S227 PolarHBondContact O-OG 3.05Å; R224-S227 VanDerWaalsContact O-OG 3.11Å; R224-H228 PolarHBondContact O-N 2.78Å
225	A	52.9	Low	59.7	Low	6 Å²	6	77 Å²	77	5%	0.05	41%	0.407	C	S	.	.	H	α-helix	trans	-65	-22	174.6	0	0	0	0	0	114.5	F204 M221 I222 G229	F204-A225 HydrophobicContact CB-CB 3.65Å; F204-A225 HydrophobicContact CD1-CB 4.2Å; F204-A225 HydrophobicContact CD2-CB 3.71Å; F204-A225 HydrophobicContact CE2-CB 4.37Å; F204-A225 HydrophobicContact CG-CB 3.6Å; M221-A225 VanDerWaalsContact O-CB 3.29Å; M221-A225 WeakPolarHBondContact O-CB 3.31Å; M221-A225 PolarHBondContact O-N 2.79Å; I222-A225 PolarHBondContact O-N 3.27Å; A225-G229 CarbonylContact O-C 3.55Å
226	E	56.1	Low	61.2	Low	132 Å²	132	76.4 Å²	76.4	62%	0.617	40%	0.401	S	S	*	.	H	α-helix	trans	-86.2	-27.9	174.2	-74.7	177.6	168.3	0	0	113.5	I222 K223 R224	I222-E226 WeakPolarHBondContact O-CG 3.45Å; I222-E226 PolarHBondContact O-N 2.67Å; K223-E226 PolarHBondContact O-N 2.91Å; R224-E226 PolarHBondContact O-N 2.85Å
227	S	55.8	Low	62.9	Low	81 Å²	81	67.1 Å²	67.1	57%	0.566	36%	0.358	S	S	*	.	H	α-helix	trans	-91.7	-37.2	-177.9	45.5	0	0	0	0	113.8	K223 R224	K223-S227 PolarHBondContact O-N 3.34Å; K223-S227 PolarHBondContact O-OG 2.71Å; R224-S227 WeakPolarHBondContact CA-OG 3.26Å; R224-S227 PolarHBondContact O-N 3.28Å; R224-S227 PolarHBondContact O-OG 3.05Å; R224-S227 VanDerWaalsContact O-OG 3.11Å
228	H	50.3	Low	64.8	Low	123 Å²	123	65.9 Å²	65.9	57%	0.569	35%	0.345	S	S	*	.	S	Bend	trans	-104.2	-2.3	-174.4	-65	74.8	0	0	0	113.7	R224 E232	R224-H228 PolarHBondContact O-N 2.78Å; H228-E232 HydrophobicContact CB-CG 4.27Å
229	G	54.3	Low	66.5	Low	25 Å²	25	62.6 Å²	62.6	26%	0.258	33%	0.33	S	S	.	.			trans	89.2	-175.8	-178	0	0	0	0	0	113.9	A225 V231	A225-G229 CarbonylContact O-C 3.55Å; G229-V231 VanDerWaalsContact C-N 3.25Å; G229-V231 PolarHBondContact O-N 3.31Å
230	P	56.6	Low	68.3	Low	98 Å²	98	60.8 Å²	60.8	64%	0.636	32%	0.315	S	S	*	.	S	Bend	trans	-72.3	-14.6	-171.6	28.9	-35.6	0	0	0	114.6	F204	F204-P230 PolarHBondContact N-O 2.87Å
231	V	60.5	Low	70	Confident	64 Å²	64	55.7 Å²	55.7	39%	0.388	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	105.9	-178.9	-174.7	0	0	0	0	108.8	R201 K203 G229	R201-V231 HydrophobicContact CB-CG1 3.79Å; R201-V231 HydrophobicContact CG-CG1 4.03Å; K203-V231 HydrophobicContact CG-CG2 4.33Å; G229-V231 VanDerWaalsContact C-N 3.25Å; G229-V231 PolarHBondContact O-N 3.31Å
232	E	68.5	Low	71.9	Confident	31 Å²	31	54.4 Å²	54.4	15%	0.145	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	127.6	174.2	-167.7	-177.1	173.4	0	0	109	R202 F204 H228 I234	R202-E232 PolarHBondContact N-O 3.27Å; R202-E232 PolarHBondContact O-N 3.08Å; R202-E232 VanDerWaalsContact O-N 3.15Å; F204-E232 HydrophobicContact CE2-CB 3.95Å; F204-E232 WeakPolarHBondContact CE2-OE2 3.42Å; H228-E232 HydrophobicContact CB-CG 4.27Å; E232-I234 HydrophobicContact CB-CG1 4.4Å; E232-I234 HydrophobicContact CG-CD1 4.2Å; E232-I234 HydrophobicContact CG-CG1 3.84Å
233	I	76.4	Confident	73.6	Confident	88 Å²	88	51.2 Å²	51.2	45%	0.451	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	118.6	172.6	-59.1	178.5	0	0	0	107.5	N160 F199 R201	N160-I233 PolarHBondContact ND2-O 3.44Å; F199-I233 HydrophobicContact CB-CG2 3.94Å; F199-I233 HydrophobicContact CD1-CG2 4.04Å; F199-I233 HydrophobicContact CG-CG2 4.3Å; R201-I233 HydrophobicContact CG-CG1 4.34Å
234	I	81.6	Confident	75.3	Confident	15 Å²	15	44.5 Å²	44.5	8%	0.077	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	125.4	-177.8	-55.6	174.3	0	0	0	109.4	K200 R202 E232 H236 P292	K200-I234 PolarHBondContact N-O 3.44Å; K200-I234 PolarHBondContact O-N 2.04Å; R202-I234 HydrophobicContact CB-CD1 4.21Å; E232-I234 HydrophobicContact CB-CG1 4.4Å; E232-I234 HydrophobicContact CG-CD1 4.2Å; E232-I234 HydrophobicContact CG-CG1 3.84Å; I234-H236 PolarHBondContact O-N 3.13Å; I234-H236 PolarHBondContact O-ND1 2.87Å; I234-P292 HydrophobicContact CG2-CB 3.64Å
235	S	86.5	Confident	77.2	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	120.8	171.8	-171.8	0	0	0	0	110.3	N160 N197 I293	N160-S235 WeakPolarHBondContact OD1-CB 3.24Å; N160-S235 PolarHBondContact OD1-N 2.89Å; N197-S235 WeakPolarHBondContact CB-OG 3.33Å; N197-S235 PolarHBondContact ND2-OG 3.13Å; S235-I293 PolarHBondContact O-N 3.32Å
236	H	88.7	Confident	79.1	Confident	28 Å²	28	39.6 Å²	39.6	13%	0.13	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	143.3	176.1	-71.6	64.5	0	0	0	111.7	N197 K198 K200 I234 Y290 Y291	N197-H236 WeakPolarHBondContact CA-O 3.4Å; K198-H236 PolarHBondContact N-O 3.17Å; K198-H236 WeakPolarHBondContact O-CB 3.34Å; K198-H236 PolarHBondContact O-N 3.17Å; K200-H236 HydrophobicContact CD-CB 4.5Å; I234-H236 PolarHBondContact O-N 3.13Å; I234-H236 PolarHBondContact O-ND1 2.87Å; H236-Y290 HydrophobicContact CB-CD1 4.08Å; H236-Y291 CarbonylContact C-O 3.56Å; H236-Y291 WeakPolarHBondContact CA-O 3.43Å
237	W	90.9	Very high	80.7	Confident	1 Å²	1	35 Å²	35	0%	0.004	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	149.2	175.8	-172.2	-105.5	0	0	0	112	L151 L163 L196 Y290 Y291 I293 L300 P301 L302	L151-W237 HydrophobicContact CD1-CH2 4Å; L151-W237 HydrophobicContact CD1-CZ2 4.27Å; L163-W237 HydrophobicContact CD2-CH2 3.99Å; L163-W237 HydrophobicContact CD2-CZ3 3.87Å; L196-W237 HydrophobicContact CB-CH2 4Å; L196-W237 HydrophobicContact CB-CZ3 3.6Å; L196-W237 HydrophobicContact CD1-CH2 3.86Å; L196-W237 HydrophobicContact CD1-CZ3 4.24Å; W237-Y290 VanDerWaalsContact O-CA 3.25Å; W237-Y290 WeakPolarHBondContact O-CA 3.43Å; W237-Y291 HydrophobicContact CB-CE2 4.11Å; W237-Y291 AromaticContact CD1-CE1 3.9Å; W237-Y291 AromaticContact CD1-CZ 3.58Å; W237-Y291 PolarHBondContact N-O 3.48Å; W237-Y291 PolarHBondContact O-N 3.26Å; W237-Y291 VanDerWaalsContact O-N 3.09Å; W237-I293 HydrophobicContact CB-CD1 4.21Å; W237-I293 HydrophobicContact CB-CG1 3.97Å; W237-I293 HydrophobicContact CE3-CD1 4.39Å; W237-L300 HydrophobicContact CB-CD2 4.17Å; W237-L300 HydrophobicContact CD2-CB 4.26Å; W237-L300 HydrophobicContact CD2-CD1 3.72Å; W237-L300 HydrophobicContact CD2-CD2 4.23Å; W237-L300 HydrophobicContact CD2-CG 4.26Å; W237-L300 HydrophobicContact CE3-CD1 3.73Å; W237-L300 HydrophobicContact CG-CD1 4.19Å; W237-L300 HydrophobicContact CG-CD2 3.85Å; W237-L300 HydrophobicContact CG-CG 4.4Å; W237-L300 HydrophobicContact CH2-CD1 4.23Å; W237-L300 HydrophobicContact CZ2-CB 3.9Å; W237-L300 HydrophobicContact CZ2-CD1 4.27Å; W237-L300 HydrophobicContact CZ3-CD1 3.98Å; W237-P301 PolarHBondContact NE1-O 3.42Å; W237-L302 HydrophobicContact CH2-CD1 4.44Å; W237-L302 HydrophobicContact CZ2-CB 4.13Å; W237-L302 HydrophobicContact CZ2-CD1 3.96Å; W237-L302 HydrophobicContact CZ2-CG 4.47Å
238	H	91.8	Very high	82.3	Confident	11 Å²	11	31.3 Å²	31.3	5%	0.051	18%	0.176	C	C	.	.			trans	-132.7	131.5	165.7	-174.9	-93.4	0	0	0	109.4	N240 N285 Y290	H238-N240 VanDerWaalsContact C-N 3.34Å; H238-N240 PolarHBondContact ND1-N 2.84Å; H238-N240 PolarHBondContact ND1-O 2.78Å; H238-N240 PolarHBondContact O-N 3Å; H238-N285 VanDerWaalsContact CE1-CB 3.48Å; H238-N285 WeakPolarHBondContact CE1-CB 3.42Å; H238-N285 PolarHBondContact CE1-ND2 3.03Å; H238-N285 PolarHBondContact CE1-OD1 3.11Å; H238-N285 VanDerWaalsContact ND1-CG 3.27Å; H238-N285 PolarHBondContact ND1-ND2 3.14Å; H238-N285 VanDerWaalsContact ND1-ND2 3.11Å; H238-Y290 HydrophobicContact CB-CD1 3.73Å; H238-Y290 HydrophobicContact CB-CD2 4.17Å; H238-Y290 HydrophobicContact CB-CE1 3.47Å; H238-Y290 VanDerWaalsContact CB-CE1 3.47Å; H238-Y290 HydrophobicContact CB-CE2 3.95Å; H238-Y290 HydrophobicContact CB-CG 4.06Å; H238-Y290 AromaticContact CD2-CD2 3.89Å; H238-Y290 AromaticContact CD2-CE2 3.87Å
239	P	90.8	Very high	83.9	Confident	33 Å²	33	30.9 Å²	30.9	21%	0.214	17%	0.174	C	C	.	.	S	Bend	trans	-73.9	-21.7	-170.9	28.9	-35.8	0	0	0	114	P301 L302 R303	P239-P301 WeakPolarHBondContact CA-O 3.25Å; P239-P301 HydrophobicContact CB-CB 4.46Å; P239-P301 HydrophobicContact CB-CG 4.24Å; P239-L302 CarbonylContact O-C 3.53Å; P239-R303 PolarHBondContact O-N 2.8Å
240	N	93.1	Very high	85.4	Confident	47 Å²	47	31.7 Å²	31.7	25%	0.251	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	135.2	-177.8	-49	-60.7	0	0	0	112.1	H238 N285 R303	H238-N240 VanDerWaalsContact C-N 3.34Å; H238-N240 PolarHBondContact ND1-N 2.84Å; H238-N240 PolarHBondContact ND1-O 2.78Å; H238-N240 PolarHBondContact O-N 3Å; N240-N285 PolarHBondContact O-ND2 3.21Å; N240-R303 WeakPolarHBondContact CA-O 3.29Å; N240-R303 VanDerWaalsContact OD1-CZ 3.29Å; N240-R303 PolarHBondContact OD1-NE 3.31Å; N240-R303 PolarHBondContact OD1-NH2 3.36Å
241	L	92.9	Very high	86.9	Confident	10 Å²	10	30.4 Å²	30.4	5%	0.052	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	127.1	166.8	174.2	65.4	0	0	0	110.2	I165 L196 F280 R303 L304 T305	I165-L241 HydrophobicContact CD1-CD2 4.11Å; I165-L241 HydrophobicContact CG2-CD2 4.08Å; L196-L241 HydrophobicContact CD2-CD2 3.58Å; L241-F280 HydrophobicContact CD1-CB 4.42Å; L241-F280 HydrophobicContact CD2-CD1 4.22Å; L241-R303 PolarHBondContact N-O 3.04Å; L241-L304 HydrophobicContact CB-CD2 3.83Å; L241-L304 HydrophobicContact CD2-CD2 4.15Å; L241-L304 HydrophobicContact CG-CD2 4.28Å; L241-L304 WeakPolarHBondContact O-CA 3.47Å; L241-T305 PolarHBondContact O-N 2.85Å; L241-T305 VanDerWaalsContact O-N 3.13Å
242	T	93.8	Very high	88.1	Confident	33 Å²	33	28.1 Å²	28.1	20%	0.202	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	126.4	176.1	-52.5	0	0	0	0	110.4	N244 N281 T305	T242-N244 VanDerWaalsContact CG2-OD1 3.28Å; T242-N244 WeakPolarHBondContact CG2-OD1 3.18Å; T242-N281 PolarHBondContact N-O 3.09Å; T242-N281 PolarHBondContact O-N 3.46Å; T242-T305 CarbonylContact C-O 3.54Å; T242-T305 WeakPolarHBondContact CA-O 3.38Å; T242-T305 HydrophobicContact CG2-CG2 4.23Å; T242-T305 WeakPolarHBondContact CG2-O 3.44Å
243	I	94.3	Very high	89	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	108.4	175.3	-61.2	163.8	0	0	0	107	I106 I165 V167 F169 V278 F280 L304 T305 Y306 C307	I106-I243 HydrophobicContact CD1-CD1 3.54Å; I106-I243 HydrophobicContact CG1-CD1 4.36Å; I165-I243 HydrophobicContact CD1-CD1 4.23Å; V167-I243 HydrophobicContact CG1-CG2 4.17Å; V167-I243 HydrophobicContact CG2-CD1 3.75Å; V167-I243 HydrophobicContact CG2-CG1 4.37Å; F169-I243 HydrophobicContact CE2-CG2 4.34Å; F169-I243 HydrophobicContact CZ-CG2 4.24Å; I243-V278 HydrophobicContact CG2-CG1 4.06Å; I243-F280 HydrophobicContact CG1-CD1 4.1Å; I243-F280 HydrophobicContact CG1-CE1 4.18Å; I243-L304 HydrophobicContact CD1-CD1 4.25Å; I243-T305 PolarHBondContact N-O 3.48Å; I243-Y306 WeakPolarHBondContact O-CA 3.38Å; I243-C307 PolarHBondContact O-N 2.9Å; I243-C307 VanDerWaalsContact O-N 3.13Å
244	N	93.7	Very high	89.2	Confident	8 Å²	8	29.7 Å²	29.7	4%	0.043	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	123.9	-178.5	-78.4	-15	0	0	0	110.8	T242 Y279 N281 C307 L309	T242-N244 VanDerWaalsContact CG2-OD1 3.28Å; T242-N244 WeakPolarHBondContact CG2-OD1 3.18Å; N244-Y279 HydrophobicContact CB-CD1 4.47Å; N244-Y279 WeakPolarHBondContact CB-O 3.46Å; N244-Y279 PolarHBondContact N-O 2.9Å; N244-Y279 PolarHBondContact O-N 2.77Å; N244-N281 WeakPolarHBondContact ND2-CB 3.31Å; N244-N281 PolarHBondContact ND2-ND2 2.77Å; N244-C307 VanDerWaalsContact CA-O 3.31Å; N244-C307 WeakPolarHBondContact CA-O 3.44Å; N244-L309 HydrophobicContact CB-CB 3.77Å; N244-L309 HydrophobicContact CB-CD2 3.8Å; N244-L309 HydrophobicContact CB-CG 4.36Å
245	M	92.3	Very high	89.2	Confident	4 Å²	4	32.2 Å²	32.2	2%	0.02	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	116.4	167.3	-179.9	60.3	74.6	0	0	108.6	M102 Y132 F169 D247 P276 V278 Y306 C307 P308 L309	M102-M245 HydrophobicContact CE-CG 4.35Å; M102-M245 HydrophobicContact SD-CE 4.1Å; Y132-M245 HydrophobicContact CD2-CG 3.74Å; Y132-M245 HydrophobicContact CD2-SD 4.14Å; Y132-M245 HydrophobicContact CE2-CG 3.61Å; Y132-M245 HydrophobicContact CE2-SD 3.78Å; F169-M245 HydrophobicContact CB-CE 4.15Å; F169-M245 HydrophobicContact CD1-CE 3.57Å; F169-M245 HydrophobicContact CD2-CE 3.45Å; F169-M245 VanDerWaalsContact CD2-CE 3.45Å; F169-M245 HydrophobicContact CE1-CE 3.7Å; F169-M245 HydrophobicContact CE2-CE 3.58Å; F169-M245 HydrophobicContact CG-CE 3.44Å; F169-M245 VanDerWaalsContact CG-CE 3.44Å; F169-M245 HydrophobicContact CZ-CE 3.7Å; M245-D247 PolarHBondContact O-N 3.34Å; M245-P276 HydrophobicContact CE-CB 4.42Å; M245-P276 HydrophobicContact SD-CB 3.73Å; M245-V278 HydrophobicContact CE-CG2 3.88Å; M245-V278 HydrophobicContact SD-CG2 4.32Å; M245-Y306 HydrophobicContact CB-CE2 3.74Å; M245-C307 PolarHBondContact N-O 2.96Å; M245-P308 CarbonylContact O-C 3.57Å; M245-P308 WeakPolarHBondContact O-CA 3.33Å; M245-L309 PolarHBondContact O-N 2.8Å
246	V	92.4	Very high	89	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	122.8	-179.4	-170.7	0	0	0	0	109.8	Y132 D248 I277 L309 W314	Y132-V246 WeakPolarHBondContact CE2-O 3.43Å; Y132-V246 PolarHBondContact OH-O 3.09Å; V246-D248 HydrophobicContact CG1-CB 4.3Å; V246-D248 PolarHBondContact O-N 3.47Å; V246-I277 HydrophobicContact CB-CB 4.01Å; V246-I277 HydrophobicContact CB-CG2 4.42Å; V246-I277 HydrophobicContact CG2-CB 4.01Å; V246-I277 HydrophobicContact CG2-CG2 3.88Å; V246-I277 WeakPolarHBondContact CG2-O 3.35Å; V246-I277 PolarHBondContact N-O 3.08Å; V246-L309 CarbonylContact C-O 3.34Å; V246-L309 VanDerWaalsContact CA-O 3.26Å; V246-L309 WeakPolarHBondContact CA-O 3.46Å; V246-L309 HydrophobicContact CG2-CD2 4.38Å; V246-W314 HydrophobicContact CG1-CB 4.02Å; V246-W314 HydrophobicContact CG1-CD2 4.24Å; V246-W314 HydrophobicContact CG1-CE3 4.14Å; V246-W314 HydrophobicContact CG1-CG 4.2Å; V246-W314 HydrophobicContact CG2-CB 3.98Å; V246-W314 HydrophobicContact CG2-CD2 4.08Å; V246-W314 HydrophobicContact CG2-CG 3.69Å
247	D	90.1	Very high	88.8	Confident	36 Å²	36	34.5 Å²	34.5	19%	0.193	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	101.5	168.6	-170.2	9.6	0	0	0	108.3	W135 M245 H249 L309	W135-D247 HydrophobicContact CZ2-CB 4.13Å; W135-D247 PolarHBondContact NE1-OD2 2.85Å; W135-D247 VanDerWaalsContact NE1-OD2 3.16Å; M245-D247 PolarHBondContact O-N 3.34Å; D247-H249 IonicContact OD1-CE1 2.67Å; D247-H249 PolarHBondContact OD1-CE1 3.36Å; D247-H249 IonicContact OD1-ND1 2.75Å; D247-H249 IonicContact OD1-NE2 3.47Å; D247-L309 PolarHBondContact N-O 2.78Å
248	D	88.2	Confident	88.3	Confident	3 Å²	3	36.5 Å²	36.5	2%	0.016	22%	0.223	C	C	.	.			trans	-135.9	129.4	-174.2	177.2	32.9	0	0	0	111.1	N94 Y132 V246 T250 W252 Y274 I277 L311	N94-D248 PolarHBondContact ND2-O 3.44Å; Y132-D248 PolarHBondContact OH-N 3.38Å; Y132-D248 VanDerWaalsContact OH-N 3.08Å; Y132-D248 PolarHBondContact OH-O 2.77Å; V246-D248 HydrophobicContact CG1-CB 4.3Å; V246-D248 PolarHBondContact O-N 3.47Å; D248-T250 WeakPolarHBondContact OD1-CB 3.31Å; D248-T250 WeakPolarHBondContact OD1-CG2 3.47Å; D248-T250 PolarHBondContact OD1-N 2.98Å; D248-T250 PolarHBondContact OD1-OG1 3.14Å; D248-W252 PolarHBondContact OD2-NE1 3.07Å; D248-Y274 VanDerWaalsContact CG-OH 3.23Å; D248-Y274 WeakPolarHBondContact OD2-CE2 3.28Å; D248-Y274 VanDerWaalsContact OD2-CZ 3.27Å; D248-Y274 PolarHBondContact OD2-OH 3.21Å; D248-I277 HydrophobicContact CB-CD1 4.37Å; D248-L311 HydrophobicContact CB-CD1 4.02Å; D248-L311 WeakPolarHBondContact OD1-CD1 3.43Å
249	H	85.1	Confident	87.7	Confident	113 Å²	113	41 Å²	41	52%	0.523	25%	0.253	S	S	.	.			trans	-129.2	14.2	178.4	-56.4	-13.4	0	0	0	111.3	D247	D247-H249 IonicContact OD1-CE1 2.67Å; D247-H249 PolarHBondContact OD1-CE1 3.36Å; D247-H249 IonicContact OD1-ND1 2.75Å; D247-H249 IonicContact OD1-NE2 3.47Å
250	T	85.9	Confident	87.1	Confident	43 Å²	43	40.5 Å²	40.5	26%	0.264	25%	0.25	S	C	.	.			trans	-76.4	140.4	-177.4	57.9	0	0	0	0	111.8	D248 W252 Y274 L311	D248-T250 WeakPolarHBondContact OD1-CB 3.31Å; D248-T250 WeakPolarHBondContact OD1-CG2 3.47Å; D248-T250 PolarHBondContact OD1-N 2.98Å; D248-T250 PolarHBondContact OD1-OG1 3.14Å; T250-W252 VanDerWaalsContact C-N 3.25Å; T250-W252 PolarHBondContact O-N 3.47Å; T250-W252 PolarHBondContact OG1-NE1 2.96Å; T250-Y274 WeakPolarHBondContact O-CE1 3.4Å; T250-Y274 PolarHBondContact O-OH 3.16Å; T250-L311 HydrophobicContact CG2-CD2 3.63Å
251	A	86.6	Confident	86.7	Confident	70 Å²	70	38.4 Å²	38.4	58%	0.579	24%	0.239	S	C	*	.			trans	-80.5	70.4	-177.7	0	0	0	0	0	110.9	P91	P91-A251 HydrophobicContact CB-CB 3.92Å
252	W	86.8	Confident	86.2	Confident	16 Å²	16	41.4 Å²	41.4	6%	0.061	26%	0.255	C	S	.	.			trans	-58.7	153.5	-179.9	-66.1	116.7	0	0	0	112	F72 S92 D248 T250 V257 L261 V265 F267 Y274 L311 W314	F72-W252 HydrophobicContact CE1-CH2 4.3Å; F72-W252 HydrophobicContact CE1-CZ3 4.45Å; F72-W252 AromaticContact CZ-CH2 3.84Å; F72-W252 HydrophobicContact CZ-CH2 3.84Å; F72-W252 HydrophobicContact CZ-CZ3 4.19Å; S92-W252 WeakPolarHBondContact CB-O 3.2Å; S92-W252 PolarHBondContact N-O 3.11Å; S92-W252 PolarHBondContact OG-O 2.91Å; D248-W252 PolarHBondContact OD2-NE1 3.07Å; T250-W252 VanDerWaalsContact C-N 3.25Å; T250-W252 PolarHBondContact O-N 3.47Å; T250-W252 PolarHBondContact OG1-NE1 2.96Å; W252-V257 HydrophobicContact CB-CG2 4.37Å; W252-V257 HydrophobicContact CD2-CG2 4.2Å; W252-V257 HydrophobicContact CE3-CB 4.37Å; W252-V257 HydrophobicContact CE3-CG1 4.15Å; W252-V257 HydrophobicContact CE3-CG2 3.87Å; W252-V257 HydrophobicContact CG-CG2 4.44Å; W252-V257 HydrophobicContact CH2-CG1 4.34Å; W252-V257 HydrophobicContact CZ3-CG1 3.99Å; W252-V257 HydrophobicContact CZ3-CG2 4.5Å; W252-L261 HydrophobicContact CH2-CD1 4.19Å; W252-V265 HydrophobicContact CG-CG1 4.33Å; W252-F267 HydrophobicContact CB-CE1 3.96Å; W252-F267 HydrophobicContact CB-CZ 3.92Å; W252-Y274 HydrophobicContact CB-CD1 4.48Å; W252-Y274 AromaticContact CD1-CE1 3.7Å; W252-Y274 AromaticContact CD1-CE2 3.74Å; W252-Y274 AromaticContact CD1-CZ 3.51Å; W252-L311 HydrophobicContact CZ2-CD1 4.32Å; W252-W314 HydrophobicContact CZ2-CZ3 4.26Å
253	V	86.4	Confident	85.7	Confident	27 Å²	27	46.7 Å²	46.7	16%	0.164	28%	0.277	C	S	.	.			trans	-124.9	130.8	171.9	172.9	0	0	0	0	108.4	R89 G255 S256	R89-V253 HydrophobicContact CB-CG1 3.51Å; R89-V253 HydrophobicContact CG-CG1 4.3Å; V253-G255 PolarHBondContact O-N 2.75Å; V253-S256 WeakPolarHBondContact CB-OG 3.41Å; V253-S256 PolarHBondContact O-N 3.01Å; V253-S256 PolarHBondContact O-OG 3.22Å
254	K	82.3	Confident	85.3	Confident	125 Å²	125	50 Å²	50	54%	0.543	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	125.4	-177.9	-171.2	174.2	-177.7	174.1	0	110.5	R89 S256 F267	R89-K254 PolarHBondContact NH1-O 2.87Å; K254-S256 VanDerWaalsContact C-N 3.34Å; K254-F267 HydrophobicContact CB-CD1 4.1Å; K254-F267 HydrophobicContact CB-CD2 4.32Å; K254-F267 HydrophobicContact CB-CE1 4.19Å; K254-F267 HydrophobicContact CB-CE2 4.43Å; K254-F267 HydrophobicContact CB-CG 4.16Å; K254-F267 HydrophobicContact CB-CZ 4.36Å; K254-F267 HydrophobicContact CD-CB 4.2Å; K254-F267 HydrophobicContact CD-CG 4.35Å; K254-F267 HydrophobicContact CG-CB 4.47Å; K254-F267 HydrophobicContact CG-CD2 4.05Å; K254-F267 HydrophobicContact CG-CE2 4.44Å; K254-F267 HydrophobicContact CG-CG 4.1Å
255	G	81.1	Confident	85.1	Confident	69 Å²	69	50 Å²	50	71%	0.711	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	17.5	-177.4	0	0	0	0	0	115.3	R89 V253	R89-G255 PolarHBondContact NH1-O 3.04Å; V253-G255 PolarHBondContact O-N 2.75Å
256	S	83.1	Confident	84.9	Confident	63 Å²	63	55.1 Å²	55.1	44%	0.441	31%	0.313	S	S	.	.			trans	-128.2	14.1	163.7	79.6	0	0	0	0	113.1	V253 K254	V253-S256 WeakPolarHBondContact CB-OG 3.41Å; V253-S256 PolarHBondContact O-N 3.01Å; V253-S256 PolarHBondContact O-OG 3.22Å; K254-S256 VanDerWaalsContact C-N 3.34Å
257	V	83.6	Confident	84.8	Confident	13 Å²	13	57 Å²	57	8%	0.079	32%	0.321	C	S	.	.	S	Bend	trans	-71.4	127.7	169.8	-175.4	0	0	0	0	107.7	W252 L261 D262 V265 F267	W252-V257 HydrophobicContact CB-CG2 4.37Å; W252-V257 HydrophobicContact CD2-CG2 4.2Å; W252-V257 HydrophobicContact CE3-CB 4.37Å; W252-V257 HydrophobicContact CE3-CG1 4.15Å; W252-V257 HydrophobicContact CE3-CG2 3.87Å; W252-V257 HydrophobicContact CG-CG2 4.44Å; W252-V257 HydrophobicContact CH2-CG1 4.34Å; W252-V257 HydrophobicContact CZ3-CG1 3.99Å; W252-V257 HydrophobicContact CZ3-CG2 4.5Å; V257-L261 HydrophobicContact CG1-CB 3.85Å; V257-D262 HydrophobicContact CB-CB 4.09Å; V257-D262 HydrophobicContact CG1-CB 4.16Å; V257-V265 HydrophobicContact CG1-CB 4.48Å; V257-V265 HydrophobicContact CG1-CG2 4.11Å; V257-V265 HydrophobicContact CG2-CB 4.47Å; V257-V265 HydrophobicContact CG2-CG1 4.42Å; V257-F267 HydrophobicContact CG2-CE2 3.87Å; V257-F267 HydrophobicContact CG2-CZ 3.62Å
258	P	80.1	Confident	84.7	Confident	43 Å²	43	55.4 Å²	55.4	28%	0.279	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-67.1	132.9	179.5	-21.1	33.1	0	0	0	111.9	L261	P258-L261 WeakPolarHBondContact O-CA 3.04Å; P258-L261 VanDerWaalsContact O-CB 3.25Å; P258-L261 WeakPolarHBondContact O-CB 3.21Å; P258-L261 PolarHBondContact O-N 3.17Å
259	P	78.4	Confident	84.4	Confident	105 Å²	105	59.5 Å²	59.5	68%	0.682	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	138.6	165.7	-23.1	34.5	0	0	0	110.8	D262	P259-D262 WeakPolarHBondContact CA-OD1 3.31Å
260	P	80.2	Confident	84.3	Confident	22 Å²	22	60.1 Å²	60.1	14%	0.143	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	cis	-90	3.2	9.3	40.2	-42.4	0	0	0	114.9	D262 Q263 A318 A322	P260-D262 VanDerWaalsContact C-OD1 3.28Å; P260-D262 PolarHBondContact O-N 3.36Å; P260-Q263 PolarHBondContact O-N 3.38Å; P260-A318 HydrophobicContact CG-CB 4.33Å; P260-A318 WeakPolarHBondContact CG-O 3.45Å; P260-A322 HydrophobicContact CB-CB 4.1Å; P260-A322 HydrophobicContact CG-CB 3.99Å
261	L	83.6	Confident	84.1	Confident	4 Å²	4	60.8 Å²	60.8	2%	0.021	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-68.1	-27.9	-170.6	-52.3	177.7	0	0	0	111.8	W252 V257 P258 Q263 Y264 V265 W314 Q315 A318	W252-L261 HydrophobicContact CH2-CD1 4.19Å; V257-L261 HydrophobicContact CG1-CB 3.85Å; P258-L261 WeakPolarHBondContact O-CA 3.04Å; P258-L261 VanDerWaalsContact O-CB 3.25Å; P258-L261 WeakPolarHBondContact O-CB 3.21Å; P258-L261 PolarHBondContact O-N 3.17Å; L261-Q263 PolarHBondContact O-N 2.87Å; L261-Y264 PolarHBondContact O-N 3.42Å; L261-Y264 VanDerWaalsContact O-N 3.07Å; L261-V265 PolarHBondContact O-N 3.33Å; L261-W314 HydrophobicContact CB-CH2 3.72Å; L261-W314 HydrophobicContact CB-CZ2 4.15Å; L261-W314 HydrophobicContact CB-CZ3 4.48Å; L261-W314 HydrophobicContact CD1-CH2 4.42Å; L261-W314 HydrophobicContact CD1-CZ3 4.4Å; L261-W314 HydrophobicContact CD2-CE3 4.44Å; L261-W314 HydrophobicContact CD2-CH2 3.78Å; L261-W314 HydrophobicContact CD2-CZ2 3.8Å; L261-W314 HydrophobicContact CD2-CZ3 4.1Å; L261-W314 HydrophobicContact CG-CH2 4.16Å; L261-Q315 HydrophobicContact CD1-CG 3.95Å; L261-Q315 HydrophobicContact CD2-CG 4.22Å; L261-A318 HydrophobicContact CD2-CB 3.66Å
262	D	81.8	Confident	83.9	Confident	72 Å²	72	59.1 Å²	59.1	39%	0.385	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-55.2	-32.3	177.4	68.2	-39.8	0	0	0	113.7	V257 P259 P260 Y264	V257-D262 HydrophobicContact CB-CB 4.09Å; V257-D262 HydrophobicContact CG1-CB 4.16Å; P259-D262 WeakPolarHBondContact CA-OD1 3.31Å; P260-D262 VanDerWaalsContact C-OD1 3.28Å; P260-D262 PolarHBondContact O-N 3.36Å; D262-Y264 PolarHBondContact O-N 3.06Å
263	Q	84	Confident	84	Confident	144 Å²	144	60.5 Å²	60.5	67%	0.673	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-67	-24.9	178.4	-59.1	-177.6	9.9	0	0	113.2	P260 L261	P260-Q263 PolarHBondContact O-N 3.38Å; L261-Q263 PolarHBondContact O-N 2.87Å
264	Y	86.1	Confident	84.2	Confident	71 Å²	71	59.2 Å²	59.2	28%	0.278	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-26	-177	-56.9	-82.9	0	0	0	113	L261 D262 K266 Y279 W314 A318	L261-Y264 PolarHBondContact O-N 3.42Å; L261-Y264 VanDerWaalsContact O-N 3.07Å; D262-Y264 PolarHBondContact O-N 3.06Å; Y264-K266 PolarHBondContact O-N 2.84Å; Y264-Y279 HydrophobicContact CD1-CD2 4.09Å; Y264-Y279 AromaticContact CE1-CD2 3.8Å; Y264-Y279 HydrophobicContact CE1-CD2 3.8Å; Y264-Y279 AromaticContact CE1-CE2 3.87Å; Y264-Y279 HydrophobicContact CE1-CE2 3.87Å; Y264-Y279 HydrophobicContact CE2-CE2 4.49Å; Y264-Y279 AromaticContact CZ-CE2 3.83Å; Y264-W314 HydrophobicContact CD2-CZ2 4.13Å; Y264-W314 HydrophobicContact CG-CZ2 4.25Å; Y264-A318 HydrophobicContact CE2-CB 4.24Å
265	V	88.7	Confident	84.7	Confident	7 Å²	7	54.6 Å²	54.6	4%	0.042	33%	0.334	C	S	.	.			trans	-83.5	97.3	-178.9	-175.6	0	0	0	0	110.8	W252 V257 L261 F267 Y274 I277 W314	W252-V265 HydrophobicContact CG-CG1 4.33Å; V257-V265 HydrophobicContact CG1-CB 4.48Å; V257-V265 HydrophobicContact CG1-CG2 4.11Å; V257-V265 HydrophobicContact CG2-CB 4.47Å; V257-V265 HydrophobicContact CG2-CG1 4.42Å; L261-V265 PolarHBondContact O-N 3.33Å; V265-F267 HydrophobicContact CB-CE2 4.3Å; V265-F267 HydrophobicContact CG1-CD2 4.32Å; V265-F267 HydrophobicContact CG1-CE1 4.35Å; V265-F267 HydrophobicContact CG1-CE2 3.67Å; V265-F267 HydrophobicContact CG1-CZ 3.69Å; V265-F267 WeakPolarHBondContact O-CD2 3.49Å; V265-Y274 HydrophobicContact CG1-CD2 4.27Å; V265-Y274 HydrophobicContact CG1-CG 4.38Å; V265-I277 HydrophobicContact CG2-CD1 3.85Å; V265-I277 HydrophobicContact CG2-CG1 4.26Å; V265-W314 HydrophobicContact CG2-CH2 4.06Å
266	K	89.1	Confident	85.2	Confident	112 Å²	112	51.5 Å²	51.5	49%	0.487	30%	0.301	S	S	.	.			trans	-88.1	115.8	177.5	-62.8	179.9	-172.8	174.6	0	110.9	H191 Y264 Y274 Y275	H191-K266 PolarHBondContact O-NZ 3.15Å; Y264-K266 PolarHBondContact O-N 2.84Å; K266-Y274 WeakPolarHBondContact O-CA 3.48Å; K266-Y275 HydrophobicContact CB-CD2 4.38Å; K266-Y275 PolarHBondContact O-N 3.11Å
267	F	89.3	Confident	85.6	Confident	39 Å²	39	48.6 Å²	48.6	17%	0.171	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-89	139.5	173.6	-61.5	-92.6	0	0	0	111.4	S92 W252 K254 V257 V265	S92-F267 WeakPolarHBondContact OG-CE1 3.48Å; W252-F267 HydrophobicContact CB-CE1 3.96Å; W252-F267 HydrophobicContact CB-CZ 3.92Å; K254-F267 HydrophobicContact CB-CD1 4.1Å; K254-F267 HydrophobicContact CB-CD2 4.32Å; K254-F267 HydrophobicContact CB-CE1 4.19Å; K254-F267 HydrophobicContact CB-CE2 4.43Å; K254-F267 HydrophobicContact CB-CG 4.16Å; K254-F267 HydrophobicContact CB-CZ 4.36Å; K254-F267 HydrophobicContact CD-CB 4.2Å; K254-F267 HydrophobicContact CD-CG 4.35Å; K254-F267 HydrophobicContact CG-CB 4.47Å; K254-F267 HydrophobicContact CG-CD2 4.05Å; K254-F267 HydrophobicContact CG-CE2 4.44Å; K254-F267 HydrophobicContact CG-CG 4.1Å; V257-F267 HydrophobicContact CG2-CE2 3.87Å; V257-F267 HydrophobicContact CG2-CZ 3.62Å; V265-F267 HydrophobicContact CB-CE2 4.3Å; V265-F267 HydrophobicContact CG1-CD2 4.32Å; V265-F267 HydrophobicContact CG1-CE1 4.35Å; V265-F267 HydrophobicContact CG1-CE2 3.67Å; V265-F267 HydrophobicContact CG1-CZ 3.69Å; V265-F267 WeakPolarHBondContact O-CD2 3.49Å
268	D	87.8	Confident	86.1	Confident	3 Å²	3	48.5 Å²	48.5	2%	0.016	28%	0.28	C	S	.	.			trans	-67.8	142.1	167.5	-176	45.6	0	0	0	111.3	R186 L187 V270 S271 G272 D273 Y275	R186-D268 IonicContact CZ-OD1 3.04Å; R186-D268 IonicContact NH1-OD1 3.06Å; R186-D268 PolarHBondContact NH1-OD1 2.82Å; R186-D268 IonicContact NH2-OD1 3.87Å; R186-D268 PolarHBondContact NH2-OD1 3.08Å; R186-D268 IonicContact NH2-OD2 3.17Å; R186-D268 PolarHBondContact NH2-OD2 3.39Å; L187-D268 HydrophobicContact CD2-CB 4.27Å; D268-V270 WeakPolarHBondContact OD2-CB 3.26Å; D268-V270 PolarHBondContact OD2-N 3.07Å; D268-S271 WeakPolarHBondContact OD2-CB 3.32Å; D268-S271 PolarHBondContact OD2-N 3.28Å; D268-S271 PolarHBondContact OD2-OG 3.46Å; D268-G272 PolarHBondContact O-N 3.17Å; D268-D273 PolarHBondContact N-O 3.01Å; D268-Y275 HydrophobicContact CB-CE2 4.26Å
269	A	82.9	Confident	86.6	Confident	89 Å²	89	46.5 Å²	46.5	74%	0.736	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-21.1	-179.1	0	0	0	0	0	113.6
270	V	82.4	Confident	87.3	Confident	125 Å²	125	42.4 Å²	42.4	76%	0.758	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.1	-51.2	-173.7	-175.2	0	0	0	0	111.3	D268	D268-V270 WeakPolarHBondContact OD2-CB 3.26Å; D268-V270 PolarHBondContact OD2-N 3.07Å
271	S	82.3	Confident	87.7	Confident	57 Å²	57	41.9 Å²	41.9	40%	0.399	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-24.4	-178.3	-59.5	0	0	0	0	113.4	D268 D273	D268-S271 WeakPolarHBondContact OD2-CB 3.32Å; D268-S271 PolarHBondContact OD2-N 3.28Å; D268-S271 PolarHBondContact OD2-OG 3.46Å; S271-D273 PolarHBondContact O-N 3.06Å; S271-D273 VanDerWaalsContact O-N 3.1Å
272	G	82.4	Confident	87.9	Confident	35 Å²	35	43.7 Å²	43.7	36%	0.361	24%	0.244	S	C	.	.			trans	75.2	-20.3	-171.2	0	0	0	0	0	114.7	S92 D268	S92-G272 WeakPolarHBondContact CB-O 3.23Å; D268-G272 PolarHBondContact O-N 3.17Å
273	D	89.2	Confident	88	Confident	46 Å²	46	40.4 Å²	40.4	25%	0.246	23%	0.227	C	C	.	.			trans	-59.7	159.2	170	-72.7	-30.4	0	0	0	113.2	R93 L95 D268 S271	R93-D273 WeakPolarHBondContact CB-OD1 3.22Å; R93-D273 PolarHBondContact N-OD1 2.95Å; R93-D273 WeakPolarHBondContact O-CA 3.43Å; R93-D273 VanDerWaalsContact O-CB 3.29Å; R93-D273 WeakPolarHBondContact O-CB 3.26Å; L95-D273 HydrophobicContact CD2-CB 3.78Å; L95-D273 HydrophobicContact CG-CB 4.01Å; D268-D273 PolarHBondContact N-O 3.01Å; S271-D273 PolarHBondContact O-N 3.06Å; S271-D273 VanDerWaalsContact O-N 3.1Å
274	Y	90.9	Very high	88.1	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-112.9	150.3	-176.4	72.4	-85	0	0	0	113.1	S92 R93 N94 L95 D248 T250 W252 V265 K266	S92-Y274 WeakPolarHBondContact OG-CD1 3.41Å; R93-Y274 VanDerWaalsContact O-CD1 3.24Å; R93-Y274 WeakPolarHBondContact O-CD1 3.44Å; R93-Y274 PolarHBondContact O-N 3.23Å; N94-Y274 HydrophobicContact CB-CE1 4.05Å; N94-Y274 HydrophobicContact CB-CE2 3.97Å; L95-Y274 WeakPolarHBondContact CG-O 3.32Å; L95-Y274 PolarHBondContact N-O 3.45Å; D248-Y274 VanDerWaalsContact CG-OH 3.23Å; D248-Y274 WeakPolarHBondContact OD2-CE2 3.28Å; D248-Y274 VanDerWaalsContact OD2-CZ 3.27Å; D248-Y274 PolarHBondContact OD2-OH 3.21Å; T250-Y274 WeakPolarHBondContact O-CE1 3.4Å; T250-Y274 PolarHBondContact O-OH 3.16Å; W252-Y274 HydrophobicContact CB-CD1 4.48Å; W252-Y274 AromaticContact CD1-CE1 3.7Å; W252-Y274 AromaticContact CD1-CE2 3.74Å; W252-Y274 AromaticContact CD1-CZ 3.51Å; V265-Y274 HydrophobicContact CG1-CD2 4.27Å; V265-Y274 HydrophobicContact CG1-CG 4.38Å; K266-Y274 WeakPolarHBondContact O-CA 3.48Å
275	Y	91.6	Very high	88.1	Confident	28 Å²	28	36.1 Å²	36.1	11%	0.11	21%	0.205	C	C	.	.			trans	-79.8	147.6	176.4	-71.4	-86.7	0	0	0	111.4	L95 R186 T189 V190 K266 D268 I277	L95-Y275 HydrophobicContact CD1-CD1 3.65Å; L95-Y275 HydrophobicContact CD1-CD2 4.16Å; L95-Y275 HydrophobicContact CD1-CE1 3.72Å; L95-Y275 HydrophobicContact CD1-CE2 4.2Å; L95-Y275 HydrophobicContact CD1-CG 3.91Å; R186-Y275 PolarHBondContact NH1-OH 2.79Å; R186-Y275 WeakPolarHBondContact O-CE1 3.42Å; R186-Y275 PolarHBondContact O-OH 2.87Å; T189-Y275 WeakPolarHBondContact O-CE1 3.43Å; V190-Y275 HydrophobicContact CG2-CD1 4.18Å; K266-Y275 HydrophobicContact CB-CD2 4.38Å; K266-Y275 PolarHBondContact O-N 3.11Å; D268-Y275 HydrophobicContact CB-CE2 4.26Å; Y275-I277 PolarHBondContact O-N 2.97Å
276	P	91.5	Very high	87.9	Confident	4 Å²	4	36.1 Å²	36.1	3%	0.026	21%	0.205	C	C	.	.			trans	-48.3	136.1	169	-28.7	33.2	0	0	0	112.7	N94 F96 Y132 V190 M245 V278	N94-P276 WeakPolarHBondContact OD1-CD 3.38Å; N94-P276 WeakPolarHBondContact OD1-CG 3.49Å; F96-P276 HydrophobicContact CB-CG 3.64Å; F96-P276 HydrophobicContact CD1-CG 3.42Å; F96-P276 VanDerWaalsContact CD1-CG 3.42Å; F96-P276 HydrophobicContact CD2-CG 4.08Å; F96-P276 HydrophobicContact CE1-CG 4.06Å; F96-P276 HydrophobicContact CG-CG 3.45Å; F96-P276 VanDerWaalsContact CG-CG 3.45Å; Y132-P276 HydrophobicContact CE2-CB 4.33Å; V190-P276 HydrophobicContact CG2-CB 4.23Å; V190-P276 HydrophobicContact CG2-CG 4Å; M245-P276 HydrophobicContact CE-CB 4.42Å; M245-P276 HydrophobicContact SD-CB 3.73Å; P276-V278 PolarHBondContact O-N 2.92Å
277	I	92	Very high	87.6	Confident	2 Å²	2	32.6 Å²	32.6	1%	0.01	19%	0.19	C	C	.	.			trans	-84.9	112.3	-174.1	-55.1	159.4	0	0	0	108.3	V246 D248 V265 Y275 W314	V246-I277 HydrophobicContact CB-CB 4.01Å; V246-I277 HydrophobicContact CB-CG2 4.42Å; V246-I277 HydrophobicContact CG2-CB 4.01Å; V246-I277 HydrophobicContact CG2-CG2 3.88Å; V246-I277 WeakPolarHBondContact CG2-O 3.35Å; V246-I277 PolarHBondContact N-O 3.08Å; D248-I277 HydrophobicContact CB-CD1 4.37Å; V265-I277 HydrophobicContact CG2-CD1 3.85Å; V265-I277 HydrophobicContact CG2-CG1 4.26Å; Y275-I277 PolarHBondContact O-N 2.97Å; I277-W314 HydrophobicContact CD1-CH2 3.81Å; I277-W314 HydrophobicContact CD1-CZ2 4.37Å; I277-W314 HydrophobicContact CD1-CZ3 3.92Å; I277-W314 HydrophobicContact CG2-CZ2 3.99Å
278	V	93	Very high	87.2	Confident	10 Å²	10	36.5 Å²	36.5	6%	0.061	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	111	174.3	179.5	0	0	0	0	108.6	V167 F169 V190 I243 M245 P276	V167-V278 HydrophobicContact CG1-CG1 4.5Å; F169-V278 HydrophobicContact CD2-CG2 3.63Å; F169-V278 HydrophobicContact CE2-CB 4.48Å; F169-V278 HydrophobicContact CE2-CG1 3.93Å; F169-V278 HydrophobicContact CE2-CG2 3.65Å; V190-V278 HydrophobicContact CG1-CG2 3.91Å; I243-V278 HydrophobicContact CG2-CG1 4.06Å; M245-V278 HydrophobicContact CE-CG2 3.88Å; M245-V278 HydrophobicContact SD-CG2 4.32Å; P276-V278 PolarHBondContact O-N 2.92Å
279	Y	92.5	Very high	87.1	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.008	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	118.3	-177.3	-175.9	-103.1	0	0	0	111.3	N244 Y264 N281 L309 W314 N321	N244-Y279 HydrophobicContact CB-CD1 4.47Å; N244-Y279 WeakPolarHBondContact CB-O 3.46Å; N244-Y279 PolarHBondContact N-O 2.9Å; N244-Y279 PolarHBondContact O-N 2.77Å; Y264-Y279 HydrophobicContact CD1-CD2 4.09Å; Y264-Y279 AromaticContact CE1-CD2 3.8Å; Y264-Y279 HydrophobicContact CE1-CD2 3.8Å; Y264-Y279 AromaticContact CE1-CE2 3.87Å; Y264-Y279 HydrophobicContact CE1-CE2 3.87Å; Y264-Y279 HydrophobicContact CE2-CE2 4.49Å; Y264-Y279 AromaticContact CZ-CE2 3.83Å; Y279-N281 HydrophobicContact CD1-CB 3.92Å; Y279-N281 HydrophobicContact CE1-CB 3.82Å; Y279-N281 PolarHBondContact O-N 3.15Å; Y279-L309 HydrophobicContact CD1-CD2 4.13Å; Y279-W314 AromaticContact CD2-CD1 3.63Å; Y279-W314 AromaticContact CD2-NE1 3.52Å; Y279-W314 AromaticContact CG-CD1 3.66Å; Y279-W314 AromaticContact CG-NE1 3.98Å; Y279-N321 PolarHBondContact OH-ND2 3.38Å
280	F	91.6	Very high	87.3	Confident	18 Å²	18	37 Å²	37	8%	0.079	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	96.1	175.3	-68.1	-77.1	0	0	0	110.9	I165 V167 S192 K194 L241 I243 D282	I165-F280 HydrophobicContact CG2-CE1 3.99Å; I165-F280 HydrophobicContact CG2-CZ 4.4Å; V167-F280 HydrophobicContact CB-CE1 4.38Å; V167-F280 HydrophobicContact CB-CZ 4.18Å; V167-F280 HydrophobicContact CG2-CE1 3.46Å; V167-F280 VanDerWaalsContact CG2-CE1 3.46Å; V167-F280 HydrophobicContact CG2-CZ 3.67Å; S192-F280 WeakPolarHBondContact OG-CE2 3.46Å; K194-F280 HydrophobicContact CB-CD1 4.21Å; K194-F280 HydrophobicContact CB-CD2 3.7Å; K194-F280 HydrophobicContact CB-CE1 4.23Å; K194-F280 HydrophobicContact CB-CE2 3.72Å; K194-F280 HydrophobicContact CB-CG 3.94Å; K194-F280 HydrophobicContact CB-CZ 3.99Å; K194-F280 HydrophobicContact CD-CB 3.32Å; K194-F280 HydrophobicContact CD-CD1 4.17Å; K194-F280 HydrophobicContact CD-CD2 4Å; K194-F280 HydrophobicContact CD-CG 3.61Å; K194-F280 HydrophobicContact CG-CD2 4.46Å; K194-F280 HydrophobicContact CG-CG 4.42Å; K194-F280 PolarHBondContact NZ-O 2.91Å; L241-F280 HydrophobicContact CD1-CB 4.42Å; L241-F280 HydrophobicContact CD2-CD1 4.22Å; I243-F280 HydrophobicContact CG1-CD1 4.1Å; I243-F280 HydrophobicContact CG1-CE1 4.18Å; F280-D282 PolarHBondContact O-N 3.1Å
281	N	89.9	Confident	87.6	Confident	11 Å²	11	34.4 Å²	34.4	6%	0.059	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	111	-177	-170.1	22.3	0	0	0	112	T242 N244 Y279 Y283	T242-N281 PolarHBondContact N-O 3.09Å; T242-N281 PolarHBondContact O-N 3.46Å; N244-N281 WeakPolarHBondContact ND2-CB 3.31Å; N244-N281 PolarHBondContact ND2-ND2 2.77Å; Y279-N281 HydrophobicContact CD1-CB 3.92Å; Y279-N281 HydrophobicContact CE1-CB 3.82Å; Y279-N281 PolarHBondContact O-N 3.15Å; N281-Y283 VanDerWaalsContact OD1-CB 3.24Å; N281-Y283 WeakPolarHBondContact OD1-CB 3.34Å; N281-Y283 PolarHBondContact OD1-N 2.89Å; N281-Y283 VanDerWaalsContact OD1-N 3.08Å
282	D	86.7	Confident	87.9	Confident	42 Å²	42	33.9 Å²	33.9	23%	0.225	17%	0.167	C	C	.	.			trans	-115.8	9.4	168.7	55.4	-1.4	0	0	0	112	K194 F280 W284 N285 N321	K194-D282 IonicContact NZ-OD1 2.62Å; K194-D282 IonicContact NZ-OD2 3.13Å; K194-D282 PolarHBondContact NZ-OD2 2.85Å; F280-D282 PolarHBondContact O-N 3.1Å; D282-W284 PolarHBondContact O-N 2.91Å; D282-W284 VanDerWaalsContact O-N 3.16Å; D282-N285 VanDerWaalsContact O-CB 3.31Å; D282-N285 WeakPolarHBondContact O-CB 3.49Å; D282-N285 PolarHBondContact O-N 3.06Å; D282-N321 PolarHBondContact OD1-ND2 2.92Å
283	Y	84.3	Confident	88	Confident	4 Å²	4	32.5 Å²	32.5	2%	0.016	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-36.6	-172.4	176.6	-95.8	0	0	0	112.6	R61 N281 Y317 Q320 K345	R61-Y283 PolarHBondContact NH2-OH 3.26Å; N281-Y283 VanDerWaalsContact OD1-CB 3.24Å; N281-Y283 WeakPolarHBondContact OD1-CB 3.34Å; N281-Y283 PolarHBondContact OD1-N 2.89Å; N281-Y283 VanDerWaalsContact OD1-N 3.08Å; Y283-Y317 AromaticContact CD1-CD1 3.87Å; Y283-Y317 HydrophobicContact CD1-CD1 3.87Å; Y283-Y317 AromaticContact CD1-CE1 3.72Å; Y283-Y317 HydrophobicContact CD1-CE1 3.72Å; Y283-Y317 HydrophobicContact CD2-CD1 4.46Å; Y283-Y317 HydrophobicContact CE1-CD1 4.47Å; Y283-Y317 HydrophobicContact CE1-CE1 4.26Å; Y283-Y317 AromaticContact CG-CD1 3.86Å; Y283-Y317 HydrophobicContact CG-CD1 3.86Å; Y283-Y317 HydrophobicContact CG-CE1 4.17Å; Y283-Q320 HydrophobicContact CD2-CB 4.23Å; Y283-Q320 HydrophobicContact CE2-CB 3.79Å; Y283-Q320 HydrophobicContact CE2-CG 4.3Å; Y283-Q320 VanDerWaalsContact CE2-OE1 3.27Å; Y283-Q320 VanDerWaalsContact CZ-OE1 3.25Å; Y283-K345 HydrophobicContact CE1-CG 4.46Å; Y283-K345 WeakPolarHBondContact O-CD 3.4Å; Y283-K345 WeakPolarHBondContact O-CE 3.48Å; Y283-K345 PolarHBondContact O-NZ 3.08Å
284	W	85.2	Confident	87.5	Confident	108 Å²	108	33.5 Å²	33.5	41%	0.409	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	4	179.3	-63.6	113.5	0	0	0	114.6	D282 L286 Y317 L349	D282-W284 PolarHBondContact O-N 2.91Å; D282-W284 VanDerWaalsContact O-N 3.16Å; W284-L286 PolarHBondContact O-N 3.07Å; W284-Y317 AromaticContact NE1-CE1 3.85Å; W284-Y317 AromaticContact NE1-CZ 3.82Å; W284-Y317 PolarHBondContact NE1-OH 3.43Å; W284-Y317 VanDerWaalsContact NE1-OH 3.17Å; W284-L349 HydrophobicContact CE3-CD1 4.07Å; W284-L349 HydrophobicContact CE3-CD2 4.24Å; W284-L349 HydrophobicContact CE3-CG 4.32Å; W284-L349 HydrophobicContact CZ3-CD1 4.35Å; W284-L349 HydrophobicContact CZ3-CD2 4.12Å; W284-L349 HydrophobicContact CZ3-CG 4.14Å
285	N	87.6	Confident	86.8	Confident	16 Å²	16	41 Å²	41	9%	0.086	19%	0.192	C	C	.	.			trans	-78.5	111.1	172.9	-62.3	-4.3	0	0	0	108.4	H238 N240 D282 Y290	H238-N285 VanDerWaalsContact CE1-CB 3.48Å; H238-N285 WeakPolarHBondContact CE1-CB 3.42Å; H238-N285 PolarHBondContact CE1-ND2 3.03Å; H238-N285 PolarHBondContact CE1-OD1 3.11Å; H238-N285 VanDerWaalsContact ND1-CG 3.27Å; H238-N285 PolarHBondContact ND1-ND2 3.14Å; H238-N285 VanDerWaalsContact ND1-ND2 3.11Å; N240-N285 PolarHBondContact O-ND2 3.21Å; D282-N285 VanDerWaalsContact O-CB 3.31Å; D282-N285 WeakPolarHBondContact O-CB 3.49Å; D282-N285 PolarHBondContact O-N 3.06Å; N285-Y290 HydrophobicContact CB-CE2 3.9Å
286	L	84.6	Confident	86.1	Confident	8 Å²	8	45.5 Å²	45.5	4%	0.042	22%	0.223	C	C	.	.			trans	-79.9	146	-176.5	-59.1	172	0	0	0	110.8	W284 K288 D289 Y290 D342 K345 V346 L349	W284-L286 PolarHBondContact O-N 3.07Å; L286-K288 HydrophobicContact CB-CG 3.96Å; L286-K288 HydrophobicContact CD1-CD 4.44Å; L286-K288 PolarHBondContact O-N 3.5Å; L286-K288 VanDerWaalsContact O-N 3.12Å; L286-D289 WeakPolarHBondContact CB-OD2 3.41Å; L286-D289 PolarHBondContact O-N 2.7Å; L286-Y290 WeakPolarHBondContact O-CD2 3.36Å; L286-D342 WeakPolarHBondContact CA-OD1 3.47Å; L286-K345 HydrophobicContact CD2-CB 3.53Å; L286-K345 HydrophobicContact CD2-CD 4.19Å; L286-V346 HydrophobicContact CD1-CG2 4.22Å; L286-V346 HydrophobicContact CD2-CG2 4.03Å; L286-L349 HydrophobicContact CD1-CD1 4.02Å; L286-L349 HydrophobicContact CD2-CD1 4.19Å; L286-L349 HydrophobicContact CG-CD1 4.4Å
287	Q	81.7	Confident	85.6	Confident	38 Å²	38	47.8 Å²	47.8	18%	0.178	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-61.3	-26	-177.8	-67.1	-52.9	-36.3	0	0	113.1	K200 D289 Y290 D342	K200-Q287 PolarHBondContact NZ-O 3.34Å; Q287-D289 VanDerWaalsContact C-N 3.33Å; Q287-Y290 PolarHBondContact O-N 3.02Å; Q287-D342 HydrophobicContact CB-CB 4.43Å; Q287-D342 WeakPolarHBondContact CB-OD2 3.18Å; Q287-D342 HydrophobicContact CG-CB 3.91Å; Q287-D342 VanDerWaalsContact N-CG 3.26Å; Q287-D342 PolarHBondContact N-OD1 3.45Å; Q287-D342 PolarHBondContact N-OD2 3.39Å
288	K	81.6	Confident	85.2	Confident	120 Å²	120	52.1 Å²	52.1	52%	0.522	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-69.6	-24.7	174.5	71.8	179.2	-167.5	174.4	0	114.1	L286 Y290 E350	L286-K288 HydrophobicContact CB-CG 3.96Å; L286-K288 HydrophobicContact CD1-CD 4.44Å; L286-K288 PolarHBondContact O-N 3.5Å; L286-K288 VanDerWaalsContact O-N 3.12Å; K288-Y290 VanDerWaalsContact C-N 3.31Å; K288-E350 IonicContact NZ-OE1 3.3Å; K288-E350 PolarHBondContact NZ-OE1 2.95Å
289	D	85.6	Confident	85	Confident	73 Å²	73	56.4 Å²	56.4	39%	0.39	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-87	-6.9	-178.5	-58	-31.7	0	0	0	111.6	L286 Q287	L286-D289 WeakPolarHBondContact CB-OD2 3.41Å; L286-D289 PolarHBondContact O-N 2.7Å; Q287-D289 VanDerWaalsContact C-N 3.33Å
290	Y	87.5	Confident	84.9	Confident	30 Å²	30	56.4 Å²	56.4	12%	0.118	28%	0.279	C	S	.	.			trans	-84.2	124.5	172.3	-78.5	-100.7	0	0	0	111	K198 H236 W237 H238 N285 L286 Q287 K288	K198-Y290 HydrophobicContact CB-CD1 4.38Å; K198-Y290 HydrophobicContact CB-CE1 3.99Å; H236-Y290 HydrophobicContact CB-CD1 4.08Å; W237-Y290 VanDerWaalsContact O-CA 3.25Å; W237-Y290 WeakPolarHBondContact O-CA 3.43Å; H238-Y290 HydrophobicContact CB-CD1 3.73Å; H238-Y290 HydrophobicContact CB-CD2 4.17Å; H238-Y290 HydrophobicContact CB-CE1 3.47Å; H238-Y290 VanDerWaalsContact CB-CE1 3.47Å; H238-Y290 HydrophobicContact CB-CE2 3.95Å; H238-Y290 HydrophobicContact CB-CG 4.06Å; H238-Y290 AromaticContact CD2-CD2 3.89Å; H238-Y290 AromaticContact CD2-CE2 3.87Å; N285-Y290 HydrophobicContact CB-CE2 3.9Å; L286-Y290 WeakPolarHBondContact O-CD2 3.36Å; Q287-Y290 PolarHBondContact O-N 3.02Å; K288-Y290 VanDerWaalsContact C-N 3.31Å
291	Y	87.9	Confident	84.9	Confident	70 Å²	70	57.2 Å²	57.2	28%	0.275	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	150.5	175.7	61.1	-92.7	0	0	0	111.7	H236 W237 L297 L300 P301	H236-Y291 CarbonylContact C-O 3.56Å; H236-Y291 WeakPolarHBondContact CA-O 3.43Å; W237-Y291 HydrophobicContact CB-CE2 4.11Å; W237-Y291 AromaticContact CD1-CE1 3.9Å; W237-Y291 AromaticContact CD1-CZ 3.58Å; W237-Y291 PolarHBondContact N-O 3.48Å; W237-Y291 PolarHBondContact O-N 3.26Å; W237-Y291 VanDerWaalsContact O-N 3.09Å; Y291-L297 HydrophobicContact CD2-CD1 4.2Å; Y291-L297 HydrophobicContact CE2-CD1 3.95Å; Y291-L300 HydrophobicContact CE2-CD2 4.09Å; Y291-P301 WeakPolarHBondContact OH-CD 3.2Å
292	P	87.8	Confident	85.1	Confident	46 Å²	46	56.7 Å²	56.7	30%	0.299	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	141.5	179.7	29.4	-36	0	0	0	111.7	I234 N294	I234-P292 HydrophobicContact CG2-CB 3.64Å; P292-N294 PolarHBondContact O-N 3.25Å
293	I	84.4	Confident	85.4	Confident	7 Å²	7	59.3 Å²	59.3	4%	0.036	29%	0.29	C	S	.	.			trans	-79.8	110.4	169.4	-56.4	-177.9	0	0	0	107.3	I153 V157 N197 S235 W237 L300	I153-I293 HydrophobicContact CD1-CG2 4.48Å; V157-I293 HydrophobicContact CG1-CD1 4.31Å; N197-I293 HydrophobicContact CB-CD1 4.33Å; S235-I293 PolarHBondContact O-N 3.32Å; W237-I293 HydrophobicContact CB-CD1 4.21Å; W237-I293 HydrophobicContact CB-CG1 3.97Å; W237-I293 HydrophobicContact CE3-CD1 4.39Å; I293-L300 HydrophobicContact CD1-CD1 4.09Å
294	N	79.5	Confident	85.9	Confident	67 Å²	67	59.1 Å²	59.1	36%	0.358	29%	0.289	S	S	.	.			trans	-102.4	158.6	177.5	-62.4	-29.2	0	0	0	110.5	P292 T296 L297	P292-N294 PolarHBondContact O-N 3.25Å; N294-T296 PolarHBondContact O-N 2.65Å; N294-T296 VanDerWaalsContact O-N 3.08Å; N294-L297 PolarHBondContact O-N 2.9Å
295	E	75.6	Confident	86.3	Confident	158 Å²	158	54.7 Å²	54.7	74%	0.738	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-27.2	175.6	-60.6	177.3	174.8	0	0	113.9	Q158	Q158-E295 PolarHBondContact NE2-O 3.48Å
296	T	78.1	Confident	86.6	Confident	122 Å²	122	54.4 Å²	54.4	75%	0.748	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-14.4	179.7	54.3	0	0	0	0	114.3	N294	N294-T296 PolarHBondContact O-N 2.65Å; N294-T296 VanDerWaalsContact O-N 3.08Å
297	L	80.9	Confident	86.9	Confident	51 Å²	51	54.9 Å²	54.9	27%	0.267	28%	0.276	S	S	.	.			trans	-85.9	115.4	178.1	-72.1	169.2	0	0	0	109.3	I153 Q158 Y291 N294	I153-L297 HydrophobicContact CD1-CB 4.23Å; I153-L297 WeakPolarHBondContact CD1-O 3.21Å; Q158-L297 PolarHBondContact NE2-O 2.87Å; Y291-L297 HydrophobicContact CD2-CD1 4.2Å; Y291-L297 HydrophobicContact CE2-CD1 3.95Å; N294-L297 PolarHBondContact O-N 2.9Å
298	T	83.8	Confident	87.4	Confident	93 Å²	93	53.6 Å²	53.6	57%	0.571	27%	0.271	S	S	*	.			trans	-99.5	-18.1	176.2	52.5	0	0	0	0	113.4	I153	I153-T298 WeakPolarHBondContact CG1-O 3.35Å; I153-T298 PolarHBondContact N-O 3.19Å
299	K	89	Confident	87.9	Confident	101 Å²	101	48.2 Å²	48.2	44%	0.439	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	142.3	-178.7	-63.6	-167.1	175.8	-157.8	0	111.9	L151 D152	L151-K299 CarbonylContact O-C 3.57Å; L151-K299 VanDerWaalsContact O-CA 3.29Å; L151-K299 WeakPolarHBondContact O-CA 3.21Å; D152-K299 WeakPolarHBondContact OD1-CE 3.46Å; D152-K299 IonicContact OD1-NZ 3.71Å
300	L	89	Confident	88.2	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	122.2	173.1	-66	170.5	0	0	0	111	E150 L151 I153 W237 Y291 I293 L302	E150-L300 WeakPolarHBondContact CA-O 3.23Å; L151-L300 PolarHBondContact N-O 3.45Å; L151-L300 PolarHBondContact O-N 2.96Å; I153-L300 HydrophobicContact CD1-CD1 3.71Å; I153-L300 HydrophobicContact CD1-CD2 3.93Å; I153-L300 HydrophobicContact CD1-CG 3.42Å; I153-L300 VanDerWaalsContact CD1-CG 3.42Å; I153-L300 HydrophobicContact CG1-CD1 3.85Å; I153-L300 HydrophobicContact CG1-CG 3.71Å; W237-L300 HydrophobicContact CB-CD2 4.17Å; W237-L300 HydrophobicContact CD2-CB 4.26Å; W237-L300 HydrophobicContact CD2-CD1 3.72Å; W237-L300 HydrophobicContact CD2-CD2 4.23Å; W237-L300 HydrophobicContact CD2-CG 4.26Å; W237-L300 HydrophobicContact CE3-CD1 3.73Å; W237-L300 HydrophobicContact CG-CD1 4.19Å; W237-L300 HydrophobicContact CG-CD2 3.85Å; W237-L300 HydrophobicContact CG-CG 4.4Å; W237-L300 HydrophobicContact CH2-CD1 4.23Å; W237-L300 HydrophobicContact CZ2-CB 3.9Å; W237-L300 HydrophobicContact CZ2-CD1 4.27Å; W237-L300 HydrophobicContact CZ3-CD1 3.98Å; Y291-L300 HydrophobicContact CE2-CD2 4.09Å; I293-L300 HydrophobicContact CD1-CD1 4.09Å; L300-L302 PolarHBondContact O-N 2.98Å
301	P	93.1	Very high	88.2	Confident	35 Å²	35	46.9 Å²	46.9	23%	0.227	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	127.7	167.6	26.2	-33.5	0	0	0	110.2	Y148 W237 P239 Y291	Y148-P301 HydrophobicContact CE2-CB 3.73Å; Y148-P301 WeakPolarHBondContact OH-CB 3.31Å; W237-P301 PolarHBondContact NE1-O 3.42Å; P239-P301 WeakPolarHBondContact CA-O 3.25Å; P239-P301 HydrophobicContact CB-CB 4.46Å; P239-P301 HydrophobicContact CB-CG 4.24Å; Y291-P301 WeakPolarHBondContact OH-CD 3.2Å
302	L	92.6	Very high	88.1	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	123.4	168.1	-173.9	59.5	0	0	0	109.7	F124 Y148 K149 L151 L196 W237 P239 L300 L304	F124-L302 HydrophobicContact CD2-CD2 4.26Å; F124-L302 HydrophobicContact CE1-CD2 4.43Å; F124-L302 HydrophobicContact CE2-CB 3.92Å; F124-L302 HydrophobicContact CE2-CD2 3.79Å; F124-L302 HydrophobicContact CE2-CG 4.13Å; F124-L302 HydrophobicContact CZ-CB 3.9Å; F124-L302 HydrophobicContact CZ-CD2 3.9Å; F124-L302 HydrophobicContact CZ-CG 3.89Å; Y148-L302 WeakPolarHBondContact CA-O 3.4Å; K149-L302 PolarHBondContact N-O 3.32Å; K149-L302 PolarHBondContact O-N 2.85Å; K149-L302 VanDerWaalsContact O-O 3.11Å; L151-L302 HydrophobicContact CD1-CB 4.06Å; L151-L302 HydrophobicContact CD1-CD2 3.76Å; L151-L302 HydrophobicContact CG-CB 4.36Å; L196-L302 HydrophobicContact CD1-CD2 4.21Å; W237-L302 HydrophobicContact CH2-CD1 4.44Å; W237-L302 HydrophobicContact CZ2-CB 4.13Å; W237-L302 HydrophobicContact CZ2-CD1 3.96Å; W237-L302 HydrophobicContact CZ2-CG 4.47Å; P239-L302 CarbonylContact O-C 3.53Å; L300-L302 PolarHBondContact O-N 2.98Å; L302-L304 HydrophobicContact CD1-CD2 3.85Å; L302-L304 HydrophobicContact CD2-CD1 4.44Å; L302-L304 HydrophobicContact CD2-CD2 3.98Å; L302-L304 HydrophobicContact CD2-CG 4.15Å; L302-L304 HydrophobicContact CG-CD2 3.87Å; L302-L304 HydrophobicContact CG-CG 4.06Å
303	R	94.3	Very high	88.1	Confident	96 Å²	96	54 Å²	54	36%	0.362	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	113	168.1	-174.2	169.3	61.8	144	-5.5	108.6	Q147 Y148 P239 N240 L241	Q147-R303 WeakPolarHBondContact O-CA 3.32Å; Y148-R303 HydrophobicContact CD2-CB 4.26Å; P239-R303 PolarHBondContact O-N 2.8Å; N240-R303 WeakPolarHBondContact CA-O 3.29Å; N240-R303 VanDerWaalsContact OD1-CZ 3.29Å; N240-R303 PolarHBondContact OD1-NE 3.31Å; N240-R303 PolarHBondContact OD1-NH2 3.36Å; L241-R303 PolarHBondContact N-O 3.04Å
304	L	94.2	Very high	88.3	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	136.8	171.4	-61.8	-172.5	0	0	0	109.9	I106 F124 W125 Q146 Q147 I165 L241 I243 L302	I106-L304 HydrophobicContact CD1-CD1 3.98Å; I106-L304 HydrophobicContact CG2-CD1 3.74Å; F124-L304 HydrophobicContact CD1-CD1 3.41Å; F124-L304 VanDerWaalsContact CD1-CD1 3.41Å; F124-L304 HydrophobicContact CD1-CG 4.08Å; F124-L304 HydrophobicContact CE1-CB 4.14Å; F124-L304 HydrophobicContact CE1-CD1 3.44Å; F124-L304 VanDerWaalsContact CE1-CD1 3.44Å; F124-L304 HydrophobicContact CE1-CG 3.56Å; F124-L304 HydrophobicContact CG-CD1 4.36Å; F124-L304 HydrophobicContact CZ-CD1 4.39Å; F124-L304 HydrophobicContact CZ-CG 4.23Å; W125-L304 HydrophobicContact CE3-CB 4.09Å; W125-L304 HydrophobicContact CZ3-CB 4.24Å; Q146-L304 WeakPolarHBondContact CA-O 3.44Å; Q147-L304 PolarHBondContact N-O 2.97Å; Q147-L304 PolarHBondContact O-N 3.03Å; I165-L304 HydrophobicContact CD1-CD1 3.65Å; I165-L304 HydrophobicContact CD1-CD2 3.95Å; I165-L304 HydrophobicContact CD1-CG 4.49Å; L241-L304 HydrophobicContact CB-CD2 3.83Å; L241-L304 HydrophobicContact CD2-CD2 4.15Å; L241-L304 HydrophobicContact CG-CD2 4.28Å; L241-L304 WeakPolarHBondContact O-CA 3.47Å; I243-L304 HydrophobicContact CD1-CD1 4.25Å; L302-L304 HydrophobicContact CD1-CD2 3.85Å; L302-L304 HydrophobicContact CD2-CD1 4.44Å; L302-L304 HydrophobicContact CD2-CD2 3.98Å; L302-L304 HydrophobicContact CD2-CG 4.15Å; L302-L304 HydrophobicContact CG-CD2 3.87Å; L302-L304 HydrophobicContact CG-CG 4.06Å
305	T	93.4	Very high	88.6	Confident	16 Å²	16	50.9 Å²	50.9	10%	0.098	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	122.2	173	-59.5	0	0	0	0	108.6	Y145 Q146 L241 T242 I243	Y145-T305 CarbonylContact O-C 3.57Å; Y145-T305 WeakPolarHBondContact O-CA 3.48Å; Q146-T305 HydrophobicContact CG-CG2 3.98Å; L241-T305 PolarHBondContact O-N 2.85Å; L241-T305 VanDerWaalsContact O-N 3.13Å; T242-T305 CarbonylContact C-O 3.54Å; T242-T305 WeakPolarHBondContact CA-O 3.38Å; T242-T305 HydrophobicContact CG2-CG2 4.23Å; T242-T305 WeakPolarHBondContact CG2-O 3.44Å; I243-T305 PolarHBondContact N-O 3.48Å
306	Y	93.2	Very high	89	Confident	10 Å²	10	45.6 Å²	45.6	4%	0.039	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	136.1	165.1	170.4	-89	0	0	0	108.9	M102 L104 L130 C144 Y145 F169 I243 M245	M102-Y306 WeakPolarHBondContact CE-OH 3.46Å; L104-Y306 HydrophobicContact CD2-CD2 4.16Å; L104-Y306 HydrophobicContact CD2-CG 4.41Å; L130-Y306 HydrophobicContact CD1-CE1 4.4Å; L130-Y306 HydrophobicContact CD1-CE2 4.4Å; L130-Y306 HydrophobicContact CD2-CE1 4.33Å; C144-Y306 CarbonylContact C-O 3.57Å; C144-Y306 WeakPolarHBondContact CA-O 3.24Å; Y145-Y306 HydrophobicContact CD2-CD1 4.01Å; Y145-Y306 PolarHBondContact N-O 3.47Å; Y145-Y306 PolarHBondContact O-N 2.94Å; F169-Y306 AromaticContact CE1-CD2 3.94Å; F169-Y306 HydrophobicContact CE1-CD2 3.94Å; F169-Y306 AromaticContact CE1-CE2 3.48Å; F169-Y306 HydrophobicContact CE1-CE2 3.48Å; F169-Y306 VanDerWaalsContact CE1-CE2 3.48Å; F169-Y306 AromaticContact CZ-CD2 3.81Å; F169-Y306 HydrophobicContact CZ-CD2 3.81Å; F169-Y306 AromaticContact CZ-CE2 3.61Å; F169-Y306 HydrophobicContact CZ-CE2 3.61Å; I243-Y306 WeakPolarHBondContact O-CA 3.38Å; M245-Y306 HydrophobicContact CB-CE2 3.74Å
307	C	92.3	Very high	89.4	Confident	18 Å²	18	41.7 Å²	41.7	12%	0.122	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	152.6	169.5	-68.3	0	0	0	0	111.3	C144 I243 N244 M245	C144-C307 HydrophobicContact CB-CB 4.26Å; C144-C307 WeakPolarHBondContact CB-SG 3.33Å; C144-C307 WeakPolarHBondContact SG-CB 3.37Å; C144-C307 CovalentContact SG-SG 2.04Å; C144-C307 PolarHBondContact SG-SG 3.48Å; I243-C307 PolarHBondContact O-N 2.9Å; I243-C307 VanDerWaalsContact O-N 3.13Å; N244-C307 VanDerWaalsContact CA-O 3.31Å; N244-C307 WeakPolarHBondContact CA-O 3.44Å; M245-C307 PolarHBondContact N-O 2.96Å
308	P	92.3	Very high	89.4	Confident	11 Å²	11	39.3 Å²	39.3	7%	0.071	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	149.9	161	33.3	-39.5	0	0	0	111	D134 W135 G143 M245	D134-P308 WeakPolarHBondContact O-CG 3.24Å; W135-P308 HydrophobicContact CD2-CB 3.99Å; W135-P308 HydrophobicContact CD2-CG 3.83Å; W135-P308 HydrophobicContact CE3-CB 3.96Å; W135-P308 HydrophobicContact CE3-CG 3.46Å; W135-P308 VanDerWaalsContact CE3-CG 3.46Å; W135-P308 HydrophobicContact CG-CG 4.5Å; W135-P308 HydrophobicContact CH2-CB 3.86Å; W135-P308 HydrophobicContact CH2-CG 4.13Å; W135-P308 HydrophobicContact CZ2-CB 3.89Å; W135-P308 HydrophobicContact CZ2-CG 4.46Å; W135-P308 HydrophobicContact CZ3-CB 3.9Å; W135-P308 HydrophobicContact CZ3-CG 3.63Å; G143-P308 WeakPolarHBondContact O-CD 3.25Å; M245-P308 CarbonylContact O-C 3.57Å; M245-P308 WeakPolarHBondContact O-CA 3.33Å
309	L	91.7	Very high	89.1	Confident	7 Å²	7	35.4 Å²	35.4	4%	0.037	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	131.6	176.5	-175.5	67.5	0	0	0	110.7	N244 M245 V246 D247 Y279 R313 W314 Y317	N244-L309 HydrophobicContact CB-CB 3.77Å; N244-L309 HydrophobicContact CB-CD2 3.8Å; N244-L309 HydrophobicContact CB-CG 4.36Å; M245-L309 PolarHBondContact O-N 2.8Å; V246-L309 CarbonylContact C-O 3.34Å; V246-L309 VanDerWaalsContact CA-O 3.26Å; V246-L309 WeakPolarHBondContact CA-O 3.46Å; V246-L309 HydrophobicContact CG2-CD2 4.38Å; D247-L309 PolarHBondContact N-O 2.78Å; Y279-L309 HydrophobicContact CD1-CD2 4.13Å; L309-R313 HydrophobicContact CD1-CB 3.55Å; L309-R313 HydrophobicContact CG-CB 4.32Å; L309-W314 HydrophobicContact CD2-CB 3.61Å; L309-W314 HydrophobicContact CD2-CG 4.33Å; L309-W314 HydrophobicContact CG-CB 4.06Å; L309-Y317 HydrophobicContact CD1-CD2 4.31Å; L309-Y317 HydrophobicContact CD1-CE2 4Å; L309-Y317 HydrophobicContact CD2-CD2 4.27Å
310	S	91.4	Very high	88.3	Confident	38 Å²	38	32.4 Å²	32.4	27%	0.266	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	146.1	179.7	61.6	0	0	0	0	110.3	W312 R313 W314	S310-W312 PolarHBondContact O-N 2.93Å; S310-W312 VanDerWaalsContact O-N 3.09Å; S310-R313 PolarHBondContact O-N 2.9Å; S310-R313 WeakPolarHBondContact OG-CG 3.29Å; S310-W314 PolarHBondContact O-N 3.4Å
311	L	88.4	Confident	87.4	Confident	36 Å²	36	34.8 Å²	34.8	19%	0.188	16%	0.162	C	C	.	.	H	α-helix	trans	-44.6	-45.4	178.1	-170.4	81.6	0	0	0	112.9	D248 T250 W252 W314 Q315	D248-L311 HydrophobicContact CB-CD1 4.02Å; D248-L311 WeakPolarHBondContact OD1-CD1 3.43Å; T250-L311 HydrophobicContact CG2-CD2 3.63Å; W252-L311 HydrophobicContact CZ2-CD1 4.32Å; L311-W314 HydrophobicContact CD1-CE3 3.8Å; L311-W314 HydrophobicContact CD1-CZ3 3.83Å; L311-W314 HydrophobicContact CG-CE3 4.49Å; L311-W314 PolarHBondContact O-N 2.99Å; L311-Q315 VanDerWaalsContact O-CG 3.26Å; L311-Q315 WeakPolarHBondContact O-CG 3.24Å; L311-Q315 PolarHBondContact O-N 2.91Å
312	W	84.9	Confident	86	Confident	124 Å²	124	34.8 Å²	34.8	47%	0.47	17%	0.165	S	C	.	.	H	α-helix	trans	-62.9	-47.4	178.8	177.4	-111.8	0	0	0	113.2	I65 S310 W314 Q315 L316	I65-W312 HydrophobicContact CG2-CH2 3.93Å; I65-W312 HydrophobicContact CG2-CZ2 4.21Å; S310-W312 PolarHBondContact O-N 2.93Å; S310-W312 VanDerWaalsContact O-N 3.09Å; W312-W314 VanDerWaalsContact C-N 3.3Å; W312-W314 PolarHBondContact O-N 3.39Å; W312-Q315 PolarHBondContact O-N 3.09Å; W312-L316 HydrophobicContact CZ2-CD2 4.24Å; W312-L316 WeakPolarHBondContact O-CG 3.22Å; W312-L316 PolarHBondContact O-N 3.19Å; W312-L316 VanDerWaalsContact O-N 3.09Å
313	R	87.9	Confident	84.3	Confident	142 Å²	142	44.6 Å²	44.6	54%	0.536	20%	0.202	S	C	.	.	H	α-helix	trans	-65	-38.1	177.8	-72.3	-179.3	174.9	-179.5	-0.3	111.1	L309 S310 L316 Y317	L309-R313 HydrophobicContact CD1-CB 3.55Å; L309-R313 HydrophobicContact CG-CB 4.32Å; S310-R313 PolarHBondContact O-N 2.9Å; S310-R313 WeakPolarHBondContact OG-CG 3.29Å; R313-L316 PolarHBondContact O-N 3.39Å; R313-Y317 VanDerWaalsContact O-CD2 3.25Å; R313-Y317 WeakPolarHBondContact O-CD2 3.31Å; R313-Y317 PolarHBondContact O-N 2.87Å; R313-Y317 VanDerWaalsContact O-N 3.08Å
314	W	89.4	Confident	82.2	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.6	-46.2	173.2	171.2	58	0	0	0	112.4	V246 W252 L261 Y264 V265 I277 Y279 L309 S310 L311 W312 L316 Y317 A318	V246-W314 HydrophobicContact CG1-CB 4.02Å; V246-W314 HydrophobicContact CG1-CD2 4.24Å; V246-W314 HydrophobicContact CG1-CE3 4.14Å; V246-W314 HydrophobicContact CG1-CG 4.2Å; V246-W314 HydrophobicContact CG2-CB 3.98Å; V246-W314 HydrophobicContact CG2-CD2 4.08Å; V246-W314 HydrophobicContact CG2-CG 3.69Å; W252-W314 HydrophobicContact CZ2-CZ3 4.26Å; L261-W314 HydrophobicContact CB-CH2 3.72Å; L261-W314 HydrophobicContact CB-CZ2 4.15Å; L261-W314 HydrophobicContact CB-CZ3 4.48Å; L261-W314 HydrophobicContact CD1-CH2 4.42Å; L261-W314 HydrophobicContact CD1-CZ3 4.4Å; L261-W314 HydrophobicContact CD2-CE3 4.44Å; L261-W314 HydrophobicContact CD2-CH2 3.78Å; L261-W314 HydrophobicContact CD2-CZ2 3.8Å; L261-W314 HydrophobicContact CD2-CZ3 4.1Å; L261-W314 HydrophobicContact CG-CH2 4.16Å; Y264-W314 HydrophobicContact CD2-CZ2 4.13Å; Y264-W314 HydrophobicContact CG-CZ2 4.25Å; V265-W314 HydrophobicContact CG2-CH2 4.06Å; I277-W314 HydrophobicContact CD1-CH2 3.81Å; I277-W314 HydrophobicContact CD1-CZ2 4.37Å; I277-W314 HydrophobicContact CD1-CZ3 3.92Å; I277-W314 HydrophobicContact CG2-CZ2 3.99Å; Y279-W314 AromaticContact CD2-CD1 3.63Å; Y279-W314 AromaticContact CD2-NE1 3.52Å; Y279-W314 AromaticContact CG-CD1 3.66Å; Y279-W314 AromaticContact CG-NE1 3.98Å; L309-W314 HydrophobicContact CD2-CB 3.61Å; L309-W314 HydrophobicContact CD2-CG 4.33Å; L309-W314 HydrophobicContact CG-CB 4.06Å; S310-W314 PolarHBondContact O-N 3.4Å; L311-W314 HydrophobicContact CD1-CE3 3.8Å; L311-W314 HydrophobicContact CD1-CZ3 3.83Å; L311-W314 HydrophobicContact CG-CE3 4.49Å; L311-W314 PolarHBondContact O-N 2.99Å; W312-W314 VanDerWaalsContact C-N 3.3Å; W312-W314 PolarHBondContact O-N 3.39Å; W314-L316 VanDerWaalsContact C-N 3.29Å; W314-L316 PolarHBondContact O-N 2.84Å; W314-Y317 PolarHBondContact O-N 2.85Å; W314-A318 VanDerWaalsContact O-CB 3.28Å; W314-A318 WeakPolarHBondContact O-CB 3.33Å; W314-A318 PolarHBondContact O-N 3.19Å
315	Q	85.6	Confident	80	Confident	9 Å²	9	46.7 Å²	46.7	4%	0.042	23%	0.229	C	C	.	.	H	α-helix	trans	-57.6	-41.6	176	-74.6	172.4	0.1	0	0	112.2	F72 L261 L311 W312 A319	F72-Q315 VanDerWaalsContact CE2-NE2 3.31Å; L261-Q315 HydrophobicContact CD1-CG 3.95Å; L261-Q315 HydrophobicContact CD2-CG 4.22Å; L311-Q315 VanDerWaalsContact O-CG 3.26Å; L311-Q315 WeakPolarHBondContact O-CG 3.24Å; L311-Q315 PolarHBondContact O-N 2.91Å; W312-Q315 PolarHBondContact O-N 3.09Å; Q315-A319 WeakPolarHBondContact O-CB 3.37Å; Q315-A319 PolarHBondContact O-N 2.96Å
316	L	83.4	Confident	77.7	Confident	47 Å²	47	52.5 Å²	52.5	25%	0.246	25%	0.249	C	C	.	.	H	α-helix	trans	-61.3	-50.4	175	-66.6	176.7	0	0	0	111.9	I65 W312 R313 W314 A319 Q320	I65-L316 HydrophobicContact CD1-CD2 3.68Å; I65-L316 HydrophobicContact CG1-CD2 3.48Å; I65-L316 VanDerWaalsContact CG1-CD2 3.48Å; W312-L316 HydrophobicContact CZ2-CD2 4.24Å; W312-L316 WeakPolarHBondContact O-CG 3.22Å; W312-L316 PolarHBondContact O-N 3.19Å; W312-L316 VanDerWaalsContact O-N 3.09Å; R313-L316 PolarHBondContact O-N 3.39Å; W314-L316 VanDerWaalsContact C-N 3.29Å; W314-L316 PolarHBondContact O-N 2.84Å; L316-A319 PolarHBondContact O-N 2.88Å; L316-Q320 VanDerWaalsContact O-CG 3.29Å; L316-Q320 WeakPolarHBondContact O-CG 3.22Å; L316-Q320 PolarHBondContact O-N 3.42Å
317	Y	85.8	Confident	75.3	Confident	40 Å²	40	58 Å²	58	16%	0.157	28%	0.279	C	S	.	.	H	α-helix	trans	-66.2	-42.7	179.9	-65.1	-41.8	0	0	0	112.5	Y283 W284 L309 R313 W314 A319 Q320 N321	Y283-Y317 AromaticContact CD1-CD1 3.87Å; Y283-Y317 HydrophobicContact CD1-CD1 3.87Å; Y283-Y317 AromaticContact CD1-CE1 3.72Å; Y283-Y317 HydrophobicContact CD1-CE1 3.72Å; Y283-Y317 HydrophobicContact CD2-CD1 4.46Å; Y283-Y317 HydrophobicContact CE1-CD1 4.47Å; Y283-Y317 HydrophobicContact CE1-CE1 4.26Å; Y283-Y317 AromaticContact CG-CD1 3.86Å; Y283-Y317 HydrophobicContact CG-CD1 3.86Å; Y283-Y317 HydrophobicContact CG-CE1 4.17Å; W284-Y317 AromaticContact NE1-CE1 3.85Å; W284-Y317 AromaticContact NE1-CZ 3.82Å; W284-Y317 PolarHBondContact NE1-OH 3.43Å; W284-Y317 VanDerWaalsContact NE1-OH 3.17Å; L309-Y317 HydrophobicContact CD1-CD2 4.31Å; L309-Y317 HydrophobicContact CD1-CE2 4Å; L309-Y317 HydrophobicContact CD2-CD2 4.27Å; R313-Y317 VanDerWaalsContact O-CD2 3.25Å; R313-Y317 WeakPolarHBondContact O-CD2 3.31Å; R313-Y317 PolarHBondContact O-N 2.87Å; R313-Y317 VanDerWaalsContact O-N 3.08Å; W314-Y317 PolarHBondContact O-N 2.85Å; Y317-A319 VanDerWaalsContact C-N 3.32Å; Y317-A319 PolarHBondContact O-N 3.3Å; Y317-Q320 PolarHBondContact O-N 3.07Å; Y317-N321 WeakPolarHBondContact O-CB 3.2Å; Y317-N321 PolarHBondContact O-N 3.25Å
318	A	82.7	Confident	73.4	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-62.8	-39	177.2	0	0	0	0	0	111.6	P260 L261 Y264 W314 Q320 A322	P260-A318 HydrophobicContact CG-CB 4.33Å; P260-A318 WeakPolarHBondContact CG-O 3.45Å; L261-A318 HydrophobicContact CD2-CB 3.66Å; Y264-A318 HydrophobicContact CE2-CB 4.24Å; W314-A318 VanDerWaalsContact O-CB 3.28Å; W314-A318 WeakPolarHBondContact O-CB 3.33Å; W314-A318 PolarHBondContact O-N 3.19Å; A318-Q320 VanDerWaalsContact C-N 3.34Å; A318-A322 WeakPolarHBondContact O-CB 3.35Å; A318-A322 PolarHBondContact O-N 3.46Å
319	A	77.1	Confident	71.6	Confident	12 Å²	12	65.4 Å²	65.4	10%	0.099	31%	0.31	C	S	.	.	H	α-helix	trans	-75.2	-19.4	177	0	0	0	0	0	114.1	I64 I68 Q315 L316 Y317	I64-A319 HydrophobicContact CG2-CB 3.66Å; I68-A319 HydrophobicContact CD1-CB 3.61Å; Q315-A319 WeakPolarHBondContact O-CB 3.37Å; Q315-A319 PolarHBondContact O-N 2.96Å; L316-A319 PolarHBondContact O-N 2.88Å; Y317-A319 VanDerWaalsContact C-N 3.32Å; Y317-A319 PolarHBondContact O-N 3.3Å
320	Q	72.5	Confident	69.7	Low	38 Å²	38	69.4 Å²	69.4	18%	0.178	34%	0.337	C	S	.	.	H	α-helix	trans	-85.1	-41	171.9	-73.6	172.5	-31.7	0	0	112.3	Y283 L316 Y317 A318 A322 Q341	Y283-Q320 HydrophobicContact CD2-CB 4.23Å; Y283-Q320 HydrophobicContact CE2-CB 3.79Å; Y283-Q320 HydrophobicContact CE2-CG 4.3Å; Y283-Q320 VanDerWaalsContact CE2-OE1 3.27Å; Y283-Q320 VanDerWaalsContact CZ-OE1 3.25Å; L316-Q320 VanDerWaalsContact O-CG 3.29Å; L316-Q320 WeakPolarHBondContact O-CG 3.22Å; L316-Q320 PolarHBondContact O-N 3.42Å; Y317-Q320 PolarHBondContact O-N 3.07Å; A318-Q320 VanDerWaalsContact C-N 3.34Å; Q320-A322 PolarHBondContact O-N 2.92Å; Q320-Q341 PolarHBondContact O-NE2 2.88Å
321	N	70.1	Confident	67.8	Low	50 Å²	50	73.1 Å²	73.1	27%	0.267	35%	0.35	S	S	.	.	H	α-helix	trans	-75.7	-7.1	172.6	-80.4	10.2	0	0	0	112.6	Y279 D282 Y317 R323	Y279-N321 PolarHBondContact OH-ND2 3.38Å; D282-N321 PolarHBondContact OD1-ND2 2.92Å; Y317-N321 WeakPolarHBondContact O-CB 3.2Å; Y317-N321 PolarHBondContact O-N 3.25Å; N321-R323 PolarHBondContact O-N 3.34Å
322	A	63.6	Low	66.1	Low	35 Å²	35	74.5 Å²	74.5	29%	0.289	36%	0.357	S	S	.	.	S	Bend	trans	-60.1	106.9	167.4	0	0	0	0	0	109.3	P260 A318 Q320 S324	P260-A322 HydrophobicContact CB-CB 4.1Å; P260-A322 HydrophobicContact CG-CB 3.99Å; A318-A322 WeakPolarHBondContact O-CB 3.35Å; A318-A322 PolarHBondContact O-N 3.46Å; Q320-A322 PolarHBondContact O-N 2.92Å; A322-S324 PolarHBondContact O-N 3.29Å
323	R	55.3	Low	64.6	Low	208 Å²	208	70.4 Å²	70.4	79%	0.785	35%	0.346	S	S	*	.			trans	-49.2	134.3	166.4	-73	179.1	173.6	164.3	-4.2	108.3	N321	N321-R323 PolarHBondContact O-N 3.34Å
324	S	51.6	Low	63.1	Low	33 Å²	33	65.7 Å²	65.7	23%	0.231	33%	0.329	C	S	.	.			trans	-55.1	139.7	-170.8	91.6	0	0	0	0	109.9	A322 W326	A322-S324 PolarHBondContact O-N 3.29Å; S324-W326 PolarHBondContact O-N 3.38Å
325	P	47.9	Very low	61.5	Low	107 Å²	107	69 Å²	69	70%	0.695	34%	0.344	S	S	*	.	S	Bend	trans	-64.3	-4.2	-175.3	26.6	-35.7	0	0	0	113.7	N327	P325-N327 PolarHBondContact O-N 3.21Å
326	W	44	Very low	59.9	Low	137 Å²	137	71.3 Å²	71.3	52%	0.519	36%	0.355	S	S	.	.			trans	-71.5	41.1	172.7	-53.4	106.7	0	0	0	113.4	S324 F328 L329 Y334	S324-W326 PolarHBondContact O-N 3.38Å; W326-F328 HydrophobicContact CE3-CD1 4.44Å; W326-F328 AromaticContact CE3-CE1 3.38Å; W326-F328 HydrophobicContact CE3-CE1 3.38Å; W326-F328 HydrophobicContact CE3-CE2 4.49Å; W326-F328 AromaticContact CE3-CZ 3.41Å; W326-F328 HydrophobicContact CE3-CZ 3.41Å; W326-F328 VanDerWaalsContact CE3-CZ 3.41Å; W326-F328 AromaticContact CZ3-CE1 3.78Å; W326-F328 HydrophobicContact CZ3-CE1 3.78Å; W326-F328 AromaticContact CZ3-CZ 3.71Å; W326-F328 HydrophobicContact CZ3-CZ 3.71Å; W326-F328 PolarHBondContact O-N 2.72Å; W326-L329 HydrophobicContact CB-CD1 3.87Å; W326-L329 HydrophobicContact CB-CG 4.24Å; W326-L329 HydrophobicContact CG-CD1 4.47Å; W326-L329 PolarHBondContact O-N 3.38Å; W326-Y334 PolarHBondContact O-OH 3.42Å
327	N	44.3	Very low	58.8	Low	125 Å²	125	70.8 Å²	70.8	67%	0.668	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	1.3	178.6	-88.5	3.1	0	0	0	115.1	P325 Y334	P325-N327 PolarHBondContact O-N 3.21Å; N327-Y334 WeakPolarHBondContact CA-OH 3.44Å
328	F	51.4	Low	57.9	Low	152 Å²	152	71.9 Å²	71.9	67%	0.667	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	-8.4	175.4	68.5	-107.1	0	0	0	113.9	W326	W326-F328 HydrophobicContact CE3-CD1 4.44Å; W326-F328 AromaticContact CE3-CE1 3.38Å; W326-F328 HydrophobicContact CE3-CE1 3.38Å; W326-F328 HydrophobicContact CE3-CE2 4.49Å; W326-F328 AromaticContact CE3-CZ 3.41Å; W326-F328 HydrophobicContact CE3-CZ 3.41Å; W326-F328 VanDerWaalsContact CE3-CZ 3.41Å; W326-F328 AromaticContact CZ3-CE1 3.78Å; W326-F328 HydrophobicContact CZ3-CE1 3.78Å; W326-F328 AromaticContact CZ3-CZ 3.71Å; W326-F328 HydrophobicContact CZ3-CZ 3.71Å; W326-F328 PolarHBondContact O-N 2.72Å
329	L	53.8	Low	57.2	Low	33 Å²	33	77.2 Å²	77.2	17%	0.173	39%	0.389	C	S	.	.	S	Bend	trans	-80.2	153.9	176.8	-67.2	177.6	0	0	0	110.9	W326 T333 Y334 F416	W326-L329 HydrophobicContact CB-CD1 3.87Å; W326-L329 HydrophobicContact CB-CG 4.24Å; W326-L329 HydrophobicContact CG-CD1 4.47Å; W326-L329 PolarHBondContact O-N 3.38Å; L329-T333 HydrophobicContact CD1-CG2 4.32Å; L329-Y334 PolarHBondContact N-OH 3.19Å; L329-Y334 PolarHBondContact O-OH 3.42Å; L329-F416 HydrophobicContact CD1-CD1 4.32Å; L329-F416 HydrophobicContact CD1-CE1 4.48Å; L329-F416 HydrophobicContact CD2-CE1 4.35Å; L329-F416 HydrophobicContact CD2-CZ 4.45Å
330	P	53	Low	56.7	Low	92 Å²	92	78.7 Å²	78.7	60%	0.597	40%	0.395	S	S	*	.			trans	-56	143.6	178.7	-24.5	34.7	0	0	0	112.2	D332 T333	P330-D332 PolarHBondContact O-N 2.8Å; P330-D332 VanDerWaalsContact O-N 3.15Å; P330-T333 VanDerWaalsContact O-CB 3.23Å; P330-T333 WeakPolarHBondContact O-CB 3.45Å; P330-T333 PolarHBondContact O-N 3.2Å; P330-T333 PolarHBondContact O-OG1 3.03Å
331	E	51.2	Low	56.6	Low	115 Å²	115	79.3 Å²	79.3	54%	0.537	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-32.3	-168.3	-168.5	169	-148.9	0	0	113.9	R201 T333 Y334	R201-E331 IonicContact CZ-OE2 3.1Å; R201-E331 IonicContact NH1-OE2 2.79Å; R201-E331 IonicContact NH2-OE2 3.46Å; R201-E331 PolarHBondContact NH2-OE2 2.87Å; E331-T333 PolarHBondContact O-N 2.96Å; E331-T333 VanDerWaalsContact O-N 3.09Å; E331-Y334 HydrophobicContact CB-CD2 4.31Å; E331-Y334 HydrophobicContact CB-CE2 4.46Å; E331-Y334 HydrophobicContact CG-CD2 4Å; E331-Y334 HydrophobicContact CG-CE2 4.48Å; E331-Y334 VanDerWaalsContact O-CD2 3.31Å; E331-Y334 WeakPolarHBondContact O-CD2 3.49Å; E331-Y334 PolarHBondContact O-N 3.14Å
332	D	52.7	Low	56.8	Low	65 Å²	65	77.2 Å²	77.2	35%	0.348	39%	0.387	S	S	.	.	H	α-helix	trans	-54.7	-25.9	173	-67.4	31.5	0	0	0	113.4	K203 P330 Y334 Q336	K203-D332 WeakPolarHBondContact CE-OD2 3.39Å; K203-D332 IonicContact NZ-OD2 2.7Å; K203-D332 PolarHBondContact NZ-OD2 3.12Å; P330-D332 PolarHBondContact O-N 2.8Å; P330-D332 VanDerWaalsContact O-N 3.15Å; D332-Y334 VanDerWaalsContact C-N 3.3Å; D332-Y334 PolarHBondContact O-N 2.93Å; D332-Q336 PolarHBondContact O-N 2.94Å
333	T	53.4	Low	57.2	Low	39 Å²	39	76.2 Å²	76.2	24%	0.239	38%	0.378	C	S	.	.	H	α-helix	trans	-68.9	-27.5	175.5	-37.8	0	0	0	0	112.3	L329 P330 E331 S337 F416	L329-T333 HydrophobicContact CD1-CG2 4.32Å; P330-T333 VanDerWaalsContact O-CB 3.23Å; P330-T333 WeakPolarHBondContact O-CB 3.45Å; P330-T333 PolarHBondContact O-N 3.2Å; P330-T333 PolarHBondContact O-OG1 3.03Å; E331-T333 PolarHBondContact O-N 2.96Å; E331-T333 VanDerWaalsContact O-N 3.09Å; T333-S337 PolarHBondContact O-N 2.83Å; T333-F416 HydrophobicContact CG2-CB 4.45Å
334	Y	55.9	Low	58	Low	43 Å²	43	66.6 Å²	66.6	17%	0.169	34%	0.342	C	S	.	.	H	α-helix	trans	-78.7	-35.2	178.7	-50.6	-61.4	0	0	0	111.9	W326 N327 L329 E331 D332 Q336 S337 D338	W326-Y334 PolarHBondContact O-OH 3.42Å; N327-Y334 WeakPolarHBondContact CA-OH 3.44Å; L329-Y334 PolarHBondContact N-OH 3.19Å; L329-Y334 PolarHBondContact O-OH 3.42Å; E331-Y334 HydrophobicContact CB-CD2 4.31Å; E331-Y334 HydrophobicContact CB-CE2 4.46Å; E331-Y334 HydrophobicContact CG-CD2 4Å; E331-Y334 HydrophobicContact CG-CE2 4.48Å; E331-Y334 VanDerWaalsContact O-CD2 3.31Å; E331-Y334 WeakPolarHBondContact O-CD2 3.49Å; E331-Y334 PolarHBondContact O-N 3.14Å; D332-Y334 VanDerWaalsContact C-N 3.3Å; D332-Y334 PolarHBondContact O-N 2.93Å; Y334-Q336 VanDerWaalsContact C-N 3.33Å; Y334-Q336 PolarHBondContact O-N 3.1Å; Y334-S337 WeakPolarHBondContact O-CA 3.4Å; Y334-S337 WeakPolarHBondContact O-CB 3.5Å; Y334-S337 PolarHBondContact O-N 3.33Å; Y334-S337 PolarHBondContact O-OG 2.99Å; Y334-D338 PolarHBondContact O-N 3.25Å; Y334-D338 VanDerWaalsContact O-N 3.11Å
335	E	55.8	Low	59.4	Low	70 Å²	70	65.7 Å²	65.7	33%	0.327	33%	0.334	S	S	.	.	H	α-helix	trans	-62.1	-41.8	175.6	-67	-170.1	145.1	0	0	110.8	R201 S337 D338 E339	R201-E335 WeakPolarHBondContact CD-OE1 3.48Å; E335-S337 VanDerWaalsContact C-N 3.27Å; E335-S337 PolarHBondContact O-N 3.12Å; E335-D338 PolarHBondContact O-N 3.16Å; E335-E339 PolarHBondContact O-N 2.84Å
336	Q	52.7	Low	60.8	Low	57 Å²	57	61.5 Å²	61.5	27%	0.266	31%	0.306	S	S	.	.	H	α-helix	trans	-60.3	-34.8	170.5	-68.7	-172.5	-13.4	0	0	113	D332 Y334 D338 E339 D340 E413	D332-Q336 PolarHBondContact O-N 2.94Å; Y334-Q336 VanDerWaalsContact C-N 3.33Å; Y334-Q336 PolarHBondContact O-N 3.1Å; Q336-D338 VanDerWaalsContact C-N 3.34Å; Q336-D338 PolarHBondContact O-N 3.46Å; Q336-E339 PolarHBondContact O-N 3.26Å; Q336-D340 WeakPolarHBondContact O-CB 3.31Å; Q336-D340 PolarHBondContact O-N 2.93Å; Q336-E413 PolarHBondContact NE2-O 2.92Å
337	S	61	Low	62.1	Low	35 Å²	35	55.1 Å²	55.1	25%	0.245	28%	0.283	C	S	.	.	H	α-helix	trans	-69.4	-31.2	178.4	82	0	0	0	0	113	T333 Y334 E335 Q341	T333-S337 PolarHBondContact O-N 2.83Å; Y334-S337 WeakPolarHBondContact O-CA 3.4Å; Y334-S337 WeakPolarHBondContact O-CB 3.5Å; Y334-S337 PolarHBondContact O-N 3.33Å; Y334-S337 PolarHBondContact O-OG 2.99Å; E335-S337 VanDerWaalsContact C-N 3.27Å; E335-S337 PolarHBondContact O-N 3.12Å; S337-Q341 WeakPolarHBondContact O-CB 3.45Å; S337-Q341 VanDerWaalsContact O-CG 3.31Å; S337-Q341 WeakPolarHBondContact O-CG 3.38Å; S337-Q341 PolarHBondContact O-N 3.2Å
338	D	66	Low	63.7	Low	63 Å²	63	52.9 Å²	52.9	34%	0.337	27%	0.27	S	S	.	.	H	α-helix	trans	-68.3	-42.8	173.7	-95.7	23.3	0	0	0	111	K198 Y334 E335 Q336 Q341 D342	K198-D338 IonicContact NZ-OD2 2.63Å; K198-D338 PolarHBondContact NZ-OD2 2.99Å; Y334-D338 PolarHBondContact O-N 3.25Å; Y334-D338 VanDerWaalsContact O-N 3.11Å; E335-D338 PolarHBondContact O-N 3.16Å; Q336-D338 VanDerWaalsContact C-N 3.34Å; Q336-D338 PolarHBondContact O-N 3.46Å; D338-Q341 PolarHBondContact O-N 3.35Å; D338-D342 WeakPolarHBondContact O-CB 3.47Å; D338-D342 PolarHBondContact O-N 3.03Å
339	E	67.1	Low	65	Low	112 Å²	112	50.3 Å²	50.3	52%	0.523	26%	0.263	S	S	.	.	H	α-helix	trans	-65.7	-44.5	174.9	-66.6	-169.6	167.4	0	0	112.2	E335 Q336 Q341 D342 S343	E335-E339 PolarHBondContact O-N 2.84Å; Q336-E339 PolarHBondContact O-N 3.26Å; E339-Q341 PolarHBondContact O-N 2.96Å; E339-D342 PolarHBondContact O-N 2.82Å; E339-S343 PolarHBondContact O-N 3.17Å
340	D	66.9	Low	66.1	Low	43 Å²	43	54.5 Å²	54.5	23%	0.23	28%	0.281	C	S	.	.	H	α-helix	trans	-56.4	-49.3	173.9	-83	-1	0	0	0	110.5	Q53 Q336 D342 S343 V344 N415	Q53-D340 PolarHBondContact NE2-OD1 3Å; Q53-D340 PolarHBondContact NE2-OD2 2.86Å; Q336-D340 WeakPolarHBondContact O-CB 3.31Å; Q336-D340 PolarHBondContact O-N 2.93Å; D340-D342 VanDerWaalsContact C-N 3.32Å; D340-D342 PolarHBondContact O-N 3.45Å; D340-S343 PolarHBondContact O-N 2.88Å; D340-S343 PolarHBondContact O-OG 3.16Å; D340-V344 PolarHBondContact O-N 2.98Å; D340-N415 PolarHBondContact OD2-ND2 2.96Å
341	Q	69.9	Low	67.1	Low	52 Å²	52	52.1 Å²	52.1	24%	0.243	27%	0.265	C	S	.	.	H	α-helix	trans	-60.1	-41.6	177	-79.6	-159.5	24.8	0	0	112.1	Q320 S337 D338 E339 V344 K345	Q320-Q341 PolarHBondContact O-NE2 2.88Å; S337-Q341 WeakPolarHBondContact O-CB 3.45Å; S337-Q341 VanDerWaalsContact O-CG 3.31Å; S337-Q341 WeakPolarHBondContact O-CG 3.38Å; S337-Q341 PolarHBondContact O-N 3.2Å; D338-Q341 PolarHBondContact O-N 3.35Å; E339-Q341 PolarHBondContact O-N 2.96Å; Q341-V344 PolarHBondContact O-N 2.88Å; Q341-K345 WeakPolarHBondContact O-CG 3.34Å; Q341-K345 PolarHBondContact O-N 3.18Å
342	D	76.1	Confident	68.5	Low	6 Å²	6	50.9 Å²	50.9	3%	0.032	26%	0.263	C	S	.	.	H	α-helix	trans	-65.5	-41.3	-179.5	-151.1	63.4	0	0	0	112.1	L286 Q287 D338 E339 D340 V344 K345 V346	L286-D342 WeakPolarHBondContact CA-OD1 3.47Å; Q287-D342 HydrophobicContact CB-CB 4.43Å; Q287-D342 WeakPolarHBondContact CB-OD2 3.18Å; Q287-D342 HydrophobicContact CG-CB 3.91Å; Q287-D342 VanDerWaalsContact N-CG 3.26Å; Q287-D342 PolarHBondContact N-OD1 3.45Å; Q287-D342 PolarHBondContact N-OD2 3.39Å; D338-D342 WeakPolarHBondContact O-CB 3.47Å; D338-D342 PolarHBondContact O-N 3.03Å; E339-D342 PolarHBondContact O-N 2.82Å; D340-D342 VanDerWaalsContact C-N 3.32Å; D340-D342 PolarHBondContact O-N 3.45Å; D342-V344 PolarHBondContact O-N 3.08Å; D342-K345 WeakPolarHBondContact O-CA 3.42Å; D342-K345 WeakPolarHBondContact O-CB 3.39Å; D342-K345 PolarHBondContact O-N 2.72Å; D342-V346 WeakPolarHBondContact O-CG2 3.22Å; D342-V346 PolarHBondContact O-N 2.99Å
343	S	71.1	Confident	69.9	Low	14 Å²	14	52.5 Å²	52.5	10%	0.098	28%	0.277	C	S	.	.	H	α-helix	trans	-56.3	-36.6	175.1	80.1	0	0	0	0	112.5	E339 D340 A347	E339-S343 PolarHBondContact O-N 3.17Å; D340-S343 PolarHBondContact O-N 2.88Å; D340-S343 PolarHBondContact O-OG 3.16Å; S343-A347 WeakPolarHBondContact O-CB 3.03Å; S343-A347 PolarHBondContact O-N 2.91Å
344	V	73	Confident	71.2	Confident	6 Å²	6	60.2 Å²	60.2	4%	0.036	30%	0.303	C	S	.	.	H	α-helix	trans	-73.2	-32.1	176	-176.3	0	0	0	0	111.6	V54 R61 D340 Q341 D342 L348	V54-V344 HydrophobicContact CG2-CG2 4.18Å; R61-V344 VanDerWaalsContact NH1-CG1 3.34Å; D340-V344 PolarHBondContact O-N 2.98Å; Q341-V344 PolarHBondContact O-N 2.88Å; D342-V344 PolarHBondContact O-N 3.08Å; V344-L348 HydrophobicContact CG1-CD1 4.08Å; V344-L348 WeakPolarHBondContact O-CB 3.07Å; V344-L348 WeakPolarHBondContact O-CD1 3.23Å; V344-L348 VanDerWaalsContact O-CG 3.28Å; V344-L348 WeakPolarHBondContact O-CG 3.41Å; V344-L348 PolarHBondContact O-N 3.37Å
345	K	79.9	Confident	72.1	Confident	14 Å²	14	61.6 Å²	61.6	6%	0.061	31%	0.312	C	S	.	.	H	α-helix	trans	-69.2	-45.9	173.8	-61.9	168.7	-167.5	177.2	0	110.9	Y283 L286 Q341 D342 A347 L348 L349	Y283-K345 HydrophobicContact CE1-CG 4.46Å; Y283-K345 WeakPolarHBondContact O-CD 3.4Å; Y283-K345 WeakPolarHBondContact O-CE 3.48Å; Y283-K345 PolarHBondContact O-NZ 3.08Å; L286-K345 HydrophobicContact CD2-CB 3.53Å; L286-K345 HydrophobicContact CD2-CD 4.19Å; Q341-K345 WeakPolarHBondContact O-CG 3.34Å; Q341-K345 PolarHBondContact O-N 3.18Å; D342-K345 WeakPolarHBondContact O-CA 3.42Å; D342-K345 WeakPolarHBondContact O-CB 3.39Å; D342-K345 PolarHBondContact O-N 2.72Å; K345-A347 VanDerWaalsContact C-N 3.32Å; K345-A347 PolarHBondContact O-N 3.27Å; K345-L348 PolarHBondContact O-N 3.38Å; K345-L349 WeakPolarHBondContact O-CB 3.35Å; K345-L349 WeakPolarHBondContact O-CG 3.27Å; K345-L349 PolarHBondContact O-N 3Å
346	V	77.8	Confident	72.8	Confident	19 Å²	19	59.1 Å²	59.1	12%	0.115	30%	0.302	C	S	.	.	H	α-helix	trans	-55.5	-48.9	172.5	175.6	0	0	0	0	109.8	L286 D342 L348 L349 E350	L286-V346 HydrophobicContact CD1-CG2 4.22Å; L286-V346 HydrophobicContact CD2-CG2 4.03Å; D342-V346 WeakPolarHBondContact O-CG2 3.22Å; D342-V346 PolarHBondContact O-N 2.99Å; V346-L348 VanDerWaalsContact C-N 3.34Å; V346-L348 PolarHBondContact O-N 3.37Å; V346-L349 PolarHBondContact O-N 2.77Å; V346-E350 HydrophobicContact CG1-CG 4.3Å; V346-E350 WeakPolarHBondContact O-CB 3.3Å; V346-E350 PolarHBondContact O-N 3.09Å
347	A	71.8	Confident	73.9	Confident	3 Å²	3	58 Å²	58	3%	0.025	31%	0.305	C	S	.	.	H	α-helix	trans	-56.8	-44.4	176.4	0	0	0	0	0	112.9	P49 S343 K345 T351	P49-A347 HydrophobicContact CB-CB 3.77Å; P49-A347 HydrophobicContact CG-CB 3.74Å; S343-A347 WeakPolarHBondContact O-CB 3.03Å; S343-A347 PolarHBondContact O-N 2.91Å; K345-A347 VanDerWaalsContact C-N 3.32Å; K345-A347 PolarHBondContact O-N 3.27Å; A347-T351 WeakPolarHBondContact O-CB 3.23Å; A347-T351 PolarHBondContact O-N 3.01Å; A347-T351 VanDerWaalsContact O-N 3.09Å; A347-T351 PolarHBondContact O-OG1 3.05Å
348	L	76.6	Confident	74.7	Confident	78 Å²	78	60.9 Å²	60.9	41%	0.408	32%	0.317	S	S	.	.	H	α-helix	trans	-69	-29.4	179.2	-78.2	163.3	0	0	0	114.1	V344 K345 V346 L356	V344-L348 HydrophobicContact CG1-CD1 4.08Å; V344-L348 WeakPolarHBondContact O-CB 3.07Å; V344-L348 WeakPolarHBondContact O-CD1 3.23Å; V344-L348 VanDerWaalsContact O-CG 3.28Å; V344-L348 WeakPolarHBondContact O-CG 3.41Å; V344-L348 PolarHBondContact O-N 3.37Å; K345-L348 PolarHBondContact O-N 3.38Å; V346-L348 VanDerWaalsContact C-N 3.34Å; V346-L348 PolarHBondContact O-N 3.37Å; L348-L356 HydrophobicContact CD2-CD2 3.57Å; L348-L356 HydrophobicContact CG-CD2 4.18Å
349	L	79.6	Confident	74.9	Confident	97 Å²	97	58.7 Å²	58.7	51%	0.508	31%	0.306	S	S	.	.	H	α-helix	trans	-90.4	-36.1	-177.9	-69.4	171.2	0	0	0	113	W284 L286 K345 V346	W284-L349 HydrophobicContact CE3-CD1 4.07Å; W284-L349 HydrophobicContact CE3-CD2 4.24Å; W284-L349 HydrophobicContact CE3-CG 4.32Å; W284-L349 HydrophobicContact CZ3-CD1 4.35Å; W284-L349 HydrophobicContact CZ3-CD2 4.12Å; W284-L349 HydrophobicContact CZ3-CG 4.14Å; L286-L349 HydrophobicContact CD1-CD1 4.02Å; L286-L349 HydrophobicContact CD2-CD1 4.19Å; L286-L349 HydrophobicContact CG-CD1 4.4Å; K345-L349 WeakPolarHBondContact O-CB 3.35Å; K345-L349 WeakPolarHBondContact O-CG 3.27Å; K345-L349 PolarHBondContact O-N 3Å; V346-L349 PolarHBondContact O-N 2.77Å
350	E	76.3	Confident	75	Confident	121 Å²	121	55.1 Å²	55.1	57%	0.565	29%	0.29	S	S	*	.	H	α-helix	trans	-101.9	-19.1	-172.1	-60.7	-176.4	-173.7	0	0	113.6	K288 V346	K288-E350 IonicContact NZ-OE1 3.3Å; K288-E350 PolarHBondContact NZ-OE1 2.95Å; V346-E350 HydrophobicContact CG1-CG 4.3Å; V346-E350 WeakPolarHBondContact O-CB 3.3Å; V346-E350 PolarHBondContact O-N 3.09Å
351	T	74.4	Confident	75.4	Confident	42 Å²	42	57.3 Å²	57.3	26%	0.258	31%	0.305	S	S	.	.	S	Bend	trans	-91.6	141.9	-179.8	-44.2	0	0	0	0	111.4	A347 L355 L356	A347-T351 WeakPolarHBondContact O-CB 3.23Å; A347-T351 PolarHBondContact O-N 3.01Å; A347-T351 VanDerWaalsContact O-N 3.09Å; A347-T351 PolarHBondContact O-OG1 3.05Å; T351-L355 HydrophobicContact CG2-CB 4.31Å; T351-L355 HydrophobicContact CG2-CD2 4.09Å; T351-L355 HydrophobicContact CG2-CG 4.37Å; T351-L356 HydrophobicContact CG2-CB 4.18Å
352	N	81.4	Confident	75.5	Confident	90 Å²	90	56.1 Å²	56.1	48%	0.481	30%	0.301	S	S	.	.			trans	-57.4	129.2	169.7	-177.5	-44.7	0	0	0	110.5	Y354 L355 L356	N352-Y354 VanDerWaalsContact C-N 3.27Å; N352-Y354 PolarHBondContact O-N 2.71Å; N352-Y354 WeakPolarHBondContact OD1-CB 3.02Å; N352-Y354 WeakPolarHBondContact OD1-CD2 3.36Å; N352-Y354 PolarHBondContact OD1-N 3.18Å; N352-L355 HydrophobicContact CB-CB 4.18Å; N352-L355 WeakPolarHBondContact O-CB 3.47Å; N352-L355 PolarHBondContact O-N 2.8Å; N352-L356 PolarHBondContact O-N 2.86Å
353	P	80.8	Confident	75	Confident	99 Å²	99	56.3 Å²	56.3	64%	0.643	30%	0.303	S	S	*	.	H	α-helix	trans	-61	-30.7	-175	23.5	-34.9	0	0	0	113.9	G357	P353-G357 PolarHBondContact O-N 3.49Å
354	Y	81.2	Confident	75.1	Confident	201 Å²	201	58.6 Å²	58.6	79%	0.788	31%	0.313	S	S	*	.	H	α-helix	trans	-69.6	-40.3	175.5	-64.3	-76	0	0	0	111.8	N352 L358	N352-Y354 VanDerWaalsContact C-N 3.27Å; N352-Y354 PolarHBondContact O-N 2.71Å; N352-Y354 WeakPolarHBondContact OD1-CB 3.02Å; N352-Y354 WeakPolarHBondContact OD1-CD2 3.36Å; N352-Y354 PolarHBondContact OD1-N 3.18Å; Y354-L358 WeakPolarHBondContact O-CB 3.48Å; Y354-L358 PolarHBondContact O-N 2.93Å
355	L	73.8	Confident	75.2	Confident	71 Å²	71	60.9 Å²	60.9	37%	0.372	33%	0.327	S	S	.	.	H	α-helix	trans	-67.1	-45.3	176.6	-175.7	65.9	0	0	0	110.6	T351 N352 G357 L358 T359 V559	T351-L355 HydrophobicContact CG2-CB 4.31Å; T351-L355 HydrophobicContact CG2-CD2 4.09Å; T351-L355 HydrophobicContact CG2-CG 4.37Å; N352-L355 HydrophobicContact CB-CB 4.18Å; N352-L355 WeakPolarHBondContact O-CB 3.47Å; N352-L355 PolarHBondContact O-N 2.8Å; L355-G357 VanDerWaalsContact C-N 3.35Å; L355-G357 PolarHBondContact O-N 3.33Å; L355-L358 PolarHBondContact O-N 3.31Å; L355-T359 PolarHBondContact O-N 3.41Å; L355-T359 PolarHBondContact O-OG1 3.07Å; L355-T359 VanDerWaalsContact O-OG1 3.08Å; L355-V559 HydrophobicContact CD1-CG1 3.83Å
356	L	72.3	Confident	74.7	Confident	19 Å²	19	62 Å²	62	10%	0.099	33%	0.333	C	S	.	.	H	α-helix	trans	-61.3	-42.3	176.6	-175.4	65.1	0	0	0	112	V54 L348 T351 N352 T359 I360	V54-L356 HydrophobicContact CG1-CD1 4.45Å; L348-L356 HydrophobicContact CD2-CD2 3.57Å; L348-L356 HydrophobicContact CG-CD2 4.18Å; T351-L356 HydrophobicContact CG2-CB 4.18Å; N352-L356 PolarHBondContact O-N 2.86Å; L356-T359 PolarHBondContact O-N 3.02Å; L356-I360 HydrophobicContact CG-CD1 4.24Å; L356-I360 WeakPolarHBondContact O-CG1 3.49Å; L356-I360 PolarHBondContact O-N 2.69Å
357	G	74.8	Confident	74	Confident	33 Å²	33	62.2 Å²	62.2	34%	0.34	34%	0.335	S	S	.	.	H	α-helix	trans	-61.3	-44.3	174.9	0	0	0	0	0	112.7	P353 L355 I360 V361	P353-G357 PolarHBondContact O-N 3.49Å; L355-G357 VanDerWaalsContact C-N 3.35Å; L355-G357 PolarHBondContact O-N 3.33Å; G357-I360 PolarHBondContact O-N 2.96Å; G357-V361 WeakPolarHBondContact O-CG2 3.48Å; G357-V361 PolarHBondContact O-N 3.46Å
358	L	77.4	Confident	74.1	Confident	95 Å²	95	66.3 Å²	66.3	50%	0.497	36%	0.356	S	S	.	.	H	α-helix	trans	-61	-47.4	174.5	-178.9	65.4	0	0	0	111.4	Y354 L355 I360 V361 V362	Y354-L358 WeakPolarHBondContact O-CB 3.48Å; Y354-L358 PolarHBondContact O-N 2.93Å; L355-L358 PolarHBondContact O-N 3.31Å; L358-I360 VanDerWaalsContact C-N 3.32Å; L358-I360 PolarHBondContact O-N 3.36Å; L358-V361 PolarHBondContact O-N 2.93Å; L358-V362 HydrophobicContact CD1-CG2 3.75Å; L358-V362 HydrophobicContact CG-CG2 4.11Å; L358-V362 WeakPolarHBondContact O-CB 3.39Å; L358-V362 WeakPolarHBondContact O-CG2 3.47Å; L358-V362 PolarHBondContact O-N 2.91Å
359	T	69.8	Low	73.8	Confident	17 Å²	17	64.8 Å²	64.8	10%	0.104	35%	0.346	C	S	.	.	H	α-helix	trans	-56.5	-44.8	177.1	-61.5	0	0	0	0	111.6	A51 L355 L356 S363 F556 I560	A51-T359 HydrophobicContact CB-CG2 3.82Å; L355-T359 PolarHBondContact O-N 3.41Å; L355-T359 PolarHBondContact O-OG1 3.07Å; L355-T359 VanDerWaalsContact O-OG1 3.08Å; L356-T359 PolarHBondContact O-N 3.02Å; T359-S363 VanDerWaalsContact O-CB 3.23Å; T359-S363 WeakPolarHBondContact O-CB 3.49Å; T359-S363 PolarHBondContact O-N 3.41Å; T359-S363 PolarHBondContact O-OG 3.25Å; T359-S363 VanDerWaalsContact O-OG 3.08Å; T359-F556 HydrophobicContact CG2-CE1 3.84Å; T359-F556 HydrophobicContact CG2-CZ 4.13Å; T359-I560 HydrophobicContact CG2-CD1 4.36Å
360	I	70.8	Confident	73	Confident	38 Å²	38	63.2 Å²	63.2	20%	0.195	34%	0.336	C	S	.	.	H	α-helix	trans	-61.7	-46.7	176.8	-68.5	164.7	0	0	0	111.2	V54 V58 L356 G357 L358 I364	V54-I360 HydrophobicContact CG1-CG1 4.39Å; V58-I360 HydrophobicContact CG2-CD1 4.45Å; L356-I360 HydrophobicContact CG-CD1 4.24Å; L356-I360 WeakPolarHBondContact O-CG1 3.49Å; L356-I360 PolarHBondContact O-N 2.69Å; G357-I360 PolarHBondContact O-N 2.96Å; L358-I360 VanDerWaalsContact C-N 3.32Å; L358-I360 PolarHBondContact O-N 3.36Å; I360-I364 HydrophobicContact CG2-CD1 3.84Å; I360-I364 WeakPolarHBondContact O-CB 3.48Å; I360-I364 WeakPolarHBondContact O-CD1 3.2Å; I360-I364 VanDerWaalsContact O-CG1 3.23Å; I360-I364 WeakPolarHBondContact O-CG1 3.44Å; I360-I364 PolarHBondContact O-N 3.07Å
361	V	75.6	Confident	72.6	Confident	88 Å²	88	63.5 Å²	63.5	53%	0.533	34%	0.336	S	S	.	.	H	α-helix	trans	-64.3	-50.5	-179.1	170.8	0	0	0	0	111.6	G357 L358 S363 I364 V365	G357-V361 WeakPolarHBondContact O-CG2 3.48Å; G357-V361 PolarHBondContact O-N 3.46Å; L358-V361 PolarHBondContact O-N 2.93Å; V361-S363 VanDerWaalsContact C-N 3.34Å; V361-S363 PolarHBondContact O-N 3.43Å; V361-I364 PolarHBondContact O-N 3.03Å; V361-V365 WeakPolarHBondContact O-CG2 3.21Å; V361-V365 PolarHBondContact O-N 2.85Å
362	V	70.9	Confident	72.4	Confident	27 Å²	27	64.3 Å²	64.3	16%	0.164	34%	0.338	C	S	.	.	H	α-helix	trans	-64.1	-41.3	-177.5	174	0	0	0	0	110.7	L358 V365 H366 I552 F556	L358-V362 HydrophobicContact CD1-CG2 3.75Å; L358-V362 HydrophobicContact CG-CG2 4.11Å; L358-V362 WeakPolarHBondContact O-CB 3.39Å; L358-V362 WeakPolarHBondContact O-CG2 3.47Å; L358-V362 PolarHBondContact O-N 2.91Å; V362-V365 WeakPolarHBondContact O-CB 3.43Å; V362-V365 PolarHBondContact O-N 3.42Å; V362-V365 VanDerWaalsContact O-N 3.16Å; V362-H366 PolarHBondContact O-N 3.1Å; V362-I552 HydrophobicContact CG1-CB 4.36Å; V362-I552 HydrophobicContact CG1-CD1 4.32Å; V362-I552 HydrophobicContact CG1-CG1 4.09Å; V362-I552 HydrophobicContact CG1-CG2 3.44Å; V362-I552 VanDerWaalsContact CG1-CG2 3.44Å; V362-F556 HydrophobicContact CB-CE2 4.17Å; V362-F556 HydrophobicContact CB-CZ 3.74Å; V362-F556 HydrophobicContact CG1-CD2 4.5Å; V362-F556 HydrophobicContact CG1-CE2 3.52Å; V362-F556 HydrophobicContact CG1-CZ 3.58Å
363	S	65.9	Low	71.6	Confident	10 Å²	10	60.4 Å²	60.4	7%	0.07	32%	0.318	C	S	.	.	H	α-helix	trans	-73.7	-26.6	178.8	-61.2	0	0	0	0	113.1	A51 T359 V361 V365 S367 F556	A51-S363 WeakPolarHBondContact CB-OG 3.24Å; T359-S363 VanDerWaalsContact O-CB 3.23Å; T359-S363 WeakPolarHBondContact O-CB 3.49Å; T359-S363 PolarHBondContact O-N 3.41Å; T359-S363 PolarHBondContact O-OG 3.25Å; T359-S363 VanDerWaalsContact O-OG 3.08Å; V361-S363 VanDerWaalsContact C-N 3.34Å; V361-S363 PolarHBondContact O-N 3.43Å; S363-V365 VanDerWaalsContact C-N 3.35Å; S363-S367 PolarHBondContact O-N 2.97Å; S363-S367 PolarHBondContact O-OG 3.27Å; S363-F556 VanDerWaalsContact OG-CE2 3.27Å; S363-F556 WeakPolarHBondContact OG-CE2 3.4Å; S363-F556 VanDerWaalsContact OG-CZ 3.23Å; S363-F556 WeakPolarHBondContact OG-CZ 3.47Å
364	I	73.2	Confident	70.9	Confident	62 Å²	62	58.9 Å²	58.9	32%	0.318	30%	0.302	S	S	.	.	H	α-helix	trans	-63.5	-42.3	166	-73.5	165.2	0	0	0	110.6	I55 I360 V361 S367 I368	I55-I364 HydrophobicContact CD1-CG1 4.43Å; I55-I364 HydrophobicContact CG1-CG1 4.48Å; I55-I364 HydrophobicContact CG2-CG1 4.24Å; I360-I364 HydrophobicContact CG2-CD1 3.84Å; I360-I364 WeakPolarHBondContact O-CB 3.48Å; I360-I364 WeakPolarHBondContact O-CD1 3.2Å; I360-I364 VanDerWaalsContact O-CG1 3.23Å; I360-I364 WeakPolarHBondContact O-CG1 3.44Å; I360-I364 PolarHBondContact O-N 3.07Å; V361-I364 PolarHBondContact O-N 3.03Å; I364-S367 PolarHBondContact O-N 2.96Å; I364-I368 HydrophobicContact CG2-CD1 3.92Å; I364-I368 VanDerWaalsContact O-CG1 3.32Å; I364-I368 WeakPolarHBondContact O-CG1 3.47Å; I364-I368 PolarHBondContact O-N 3.07Å
365	V	74.4	Confident	70.7	Confident	54 Å²	54	54.9 Å²	54.9	33%	0.327	29%	0.288	S	S	.	.	H	α-helix	trans	-63.5	-45.6	177.1	169.7	0	0	0	0	111.2	V361 V362 S363 S367 I368 F369 I552	V361-V365 WeakPolarHBondContact O-CG2 3.21Å; V361-V365 PolarHBondContact O-N 2.85Å; V362-V365 WeakPolarHBondContact O-CB 3.43Å; V362-V365 PolarHBondContact O-N 3.42Å; V362-V365 VanDerWaalsContact O-N 3.16Å; S363-V365 VanDerWaalsContact C-N 3.35Å; V365-S367 PolarHBondContact O-N 3.22Å; V365-I368 PolarHBondContact O-N 3.01Å; V365-I368 VanDerWaalsContact O-N 3.16Å; V365-F369 HydrophobicContact CG1-CD2 3.8Å; V365-F369 HydrophobicContact CG1-CE2 3.31Å; V365-F369 HydrophobicContact CG1-CZ 3.78Å; V365-F369 PolarHBondContact O-N 3.49Å; V365-I552 HydrophobicContact CG1-CD1 4.3Å
366	H	69.8	Low	70.7	Confident	37 Å²	37	53.5 Å²	53.5	17%	0.171	28%	0.281	C	S	.	.	H	α-helix	trans	-54.2	-50.9	172.8	177.3	110.5	0	0	0	111.2	V362 I368 F369 E370 I552 D553	V362-H366 PolarHBondContact O-N 3.1Å; H366-I368 VanDerWaalsContact C-N 3.26Å; H366-I368 PolarHBondContact O-N 3.49Å; H366-F369 PolarHBondContact O-N 3.47Å; H366-F369 VanDerWaalsContact O-N 3.12Å; H366-E370 WeakPolarHBondContact O-CB 3.37Å; H366-E370 PolarHBondContact O-N 2.98Å; H366-I552 HydrophobicContact CB-CG2 4.2Å; H366-D553 IonicContact CE1-OD1 3.61Å; H366-D553 PolarHBondContact CE1-OD1 3.39Å; H366-D553 IonicContact CE1-OD2 3.63Å; H366-D553 PolarHBondContact CE1-OD2 3.5Å; H366-D553 VanDerWaalsContact CE1-OD2 3.3Å; H366-D553 IonicContact ND1-OD1 2.67Å; H366-D553 PolarHBondContact ND1-OD1 3.23Å; H366-D553 IonicContact ND1-OD2 3.7Å
367	S	63.9	Low	70.7	Confident	25 Å²	25	53 Å²	53	18%	0.175	28%	0.279	C	S	.	.	H	α-helix	trans	-60.8	-32.5	178.4	-56.9	0	0	0	0	113.6	W52 S363 I364 V365 F371	W52-S367 WeakPolarHBondContact CZ3-OG 3.29Å; S363-S367 PolarHBondContact O-N 2.97Å; S363-S367 PolarHBondContact O-OG 3.27Å; I364-S367 PolarHBondContact O-N 2.96Å; V365-S367 PolarHBondContact O-N 3.22Å; S367-F371 WeakPolarHBondContact O-CB 3.46Å; S367-F371 PolarHBondContact O-N 3.14Å; S367-F371 VanDerWaalsContact O-N 3.07Å
368	I	73.9	Confident	70.6	Confident	89 Å²	89	54.3 Å²	54.3	46%	0.456	28%	0.277	S	S	.	.	H	α-helix	trans	-69.6	-44.8	175	-70.1	164.5	0	0	0	110.5	I364 V365 H366 F371 L372	I364-I368 HydrophobicContact CG2-CD1 3.92Å; I364-I368 VanDerWaalsContact O-CG1 3.32Å; I364-I368 WeakPolarHBondContact O-CG1 3.47Å; I364-I368 PolarHBondContact O-N 3.07Å; V365-I368 PolarHBondContact O-N 3.01Å; V365-I368 VanDerWaalsContact O-N 3.16Å; H366-I368 VanDerWaalsContact C-N 3.26Å; H366-I368 PolarHBondContact O-N 3.49Å; I368-F371 PolarHBondContact O-N 3.09Å; I368-L372 HydrophobicContact CG2-CD1 4Å; I368-L372 HydrophobicContact CG2-CG 4.47Å; I368-L372 WeakPolarHBondContact O-CB 3.32Å; I368-L372 VanDerWaalsContact O-CG 3.26Å; I368-L372 WeakPolarHBondContact O-CG 3.22Å; I368-L372 PolarHBondContact O-N 3.41Å
369	F	69	Low	70.4	Confident	45 Å²	45	55.4 Å²	55.4	20%	0.197	28%	0.28	C	S	.	.	H	α-helix	trans	-68	-39.7	177.9	-69.8	-28.6	0	0	0	112.5	V365 H366 L372 A373 Y545 L548 N549 I552	V365-F369 HydrophobicContact CG1-CD2 3.8Å; V365-F369 HydrophobicContact CG1-CE2 3.31Å; V365-F369 HydrophobicContact CG1-CZ 3.78Å; V365-F369 PolarHBondContact O-N 3.49Å; H366-F369 PolarHBondContact O-N 3.47Å; H366-F369 VanDerWaalsContact O-N 3.12Å; F369-L372 HydrophobicContact CD1-CD1 4.44Å; F369-L372 PolarHBondContact O-N 2.86Å; F369-A373 WeakPolarHBondContact O-CB 3.49Å; F369-A373 PolarHBondContact O-N 3.22Å; F369-Y545 HydrophobicContact CD1-CD1 4.09Å; F369-Y545 HydrophobicContact CE1-CD1 4.47Å; F369-L548 HydrophobicContact CD2-CB 4.03Å; F369-L548 HydrophobicContact CE2-CB 3.96Å; F369-L548 HydrophobicContact CE2-CD1 3.93Å; F369-L548 HydrophobicContact CZ-CD1 3.96Å; F369-N549 WeakPolarHBondContact CB-OD1 3.41Å; F369-I552 HydrophobicContact CD2-CD1 4.47Å; F369-I552 HydrophobicContact CE2-CD1 4.48Å
370	E	64.3	Low	70.4	Confident	64 Å²	64	56.1 Å²	56.1	30%	0.299	28%	0.282	S	S	.	.	H	α-helix	trans	-55.4	-51.5	170.1	-173.2	-169	-178.1	0	0	110.6	Q39 H366 L372 A373 F374 N549	Q39-E370 PolarHBondContact NE2-OE1 3.41Å; H366-E370 WeakPolarHBondContact O-CB 3.37Å; H366-E370 PolarHBondContact O-N 2.98Å; E370-L372 VanDerWaalsContact C-N 3.34Å; E370-L372 PolarHBondContact O-N 3.35Å; E370-A373 PolarHBondContact O-N 3.4Å; E370-F374 WeakPolarHBondContact O-CB 3.31Å; E370-F374 PolarHBondContact O-N 3Å; E370-N549 PolarHBondContact N-ND2 3.09Å
371	F	67.3	Low	70.5	Confident	128 Å²	128	55.1 Å²	55.1	56%	0.561	28%	0.275	S	S	*	.	H	α-helix	trans	-62	-38.2	177.1	179.5	-101.5	0	0	0	113.1	S367 I368 K375	S367-F371 WeakPolarHBondContact O-CB 3.46Å; S367-F371 PolarHBondContact O-N 3.14Å; S367-F371 VanDerWaalsContact O-N 3.07Å; I368-F371 PolarHBondContact O-N 3.09Å; F371-K375 VanDerWaalsContact O-CB 3.22Å; F371-K375 WeakPolarHBondContact O-CB 3.44Å; F371-K375 PolarHBondContact O-N 2.84Å
372	L	69.6	Low	70.4	Confident	58 Å²	58	55.6 Å²	55.6	30%	0.304	28%	0.275	S	S	.	.	H	α-helix	trans	-68.4	-39.7	176.2	-73.7	173	0	0	0	112.2	I368 F369 E370 N376 Y545	I368-L372 HydrophobicContact CG2-CD1 4Å; I368-L372 HydrophobicContact CG2-CG 4.47Å; I368-L372 WeakPolarHBondContact O-CB 3.32Å; I368-L372 VanDerWaalsContact O-CG 3.26Å; I368-L372 WeakPolarHBondContact O-CG 3.22Å; I368-L372 PolarHBondContact O-N 3.41Å; F369-L372 HydrophobicContact CD1-CD1 4.44Å; F369-L372 PolarHBondContact O-N 2.86Å; E370-L372 VanDerWaalsContact C-N 3.34Å; E370-L372 PolarHBondContact O-N 3.35Å; L372-N376 VanDerWaalsContact O-CB 3.31Å; L372-N376 WeakPolarHBondContact O-CB 3.43Å; L372-N376 PolarHBondContact O-N 2.84Å; L372-Y545 HydrophobicContact CB-CD2 3.99Å; L372-Y545 HydrophobicContact CB-CE2 4.09Å
373	A	65.3	Low	70.3	Confident	8 Å²	8	58.4 Å²	58.4	7%	0.066	30%	0.296	C	S	.	.	H	α-helix	trans	-64.7	-46.8	174.5	0	0	0	0	0	111.2	F369 E370 N376 D377 K546	F369-A373 WeakPolarHBondContact O-CB 3.49Å; F369-A373 PolarHBondContact O-N 3.22Å; E370-A373 PolarHBondContact O-N 3.4Å; A373-N376 WeakPolarHBondContact O-CB 3.48Å; A373-N376 PolarHBondContact O-N 2.8Å; A373-D377 PolarHBondContact O-N 3.34Å; A373-K546 HydrophobicContact CB-CG 4.3Å
374	F	66.9	Low	70.2	Confident	67 Å²	67	60.5 Å²	60.5	29%	0.294	30%	0.302	S	S	.	.	H	α-helix	trans	-61	-45	175.7	176.8	-98.6	0	0	0	112.7	E370 N376 D377 I378 I428	E370-F374 WeakPolarHBondContact O-CB 3.31Å; E370-F374 PolarHBondContact O-N 3Å; F374-N376 VanDerWaalsContact C-N 3.3Å; F374-N376 PolarHBondContact O-N 3.17Å; F374-D377 PolarHBondContact O-N 2.73Å; F374-I378 HydrophobicContact CD1-CD1 3.99Å; F374-I378 HydrophobicContact CE1-CD1 3.45Å; F374-I378 VanDerWaalsContact CE1-CD1 3.45Å; F374-I378 HydrophobicContact CE2-CD1 4.16Å; F374-I378 HydrophobicContact CZ-CD1 3.57Å; F374-I378 PolarHBondContact O-N 3.19Å; F374-I428 HydrophobicContact CE2-CD1 3.58Å; F374-I428 HydrophobicContact CZ-CD1 3.38Å
375	K	76.9	Confident	69.3	Low	117 Å²	117	66.5 Å²	66.5	51%	0.509	33%	0.329	S	S	.	.	H	α-helix	trans	-60.5	-41.4	173.6	-178.9	-173.8	173.8	-172.6	0	111.4	F371 Q379	F371-K375 VanDerWaalsContact O-CB 3.22Å; F371-K375 WeakPolarHBondContact O-CB 3.44Å; F371-K375 PolarHBondContact O-N 2.84Å; K375-Q379 VanDerWaalsContact O-CB 3.31Å; K375-Q379 WeakPolarHBondContact O-CB 3.5Å; K375-Q379 PolarHBondContact O-N 3.24Å
376	N	72.6	Confident	68.5	Low	43 Å²	43	66.5 Å²	66.5	23%	0.23	33%	0.331	C	S	.	.	H	α-helix	trans	-66.3	-40.4	178.4	-162.5	-99.3	0	0	0	111.6	L372 A373 F374 Q379 F380 M542	L372-N376 VanDerWaalsContact O-CB 3.31Å; L372-N376 WeakPolarHBondContact O-CB 3.43Å; L372-N376 PolarHBondContact O-N 2.84Å; A373-N376 WeakPolarHBondContact O-CB 3.48Å; A373-N376 PolarHBondContact O-N 2.8Å; F374-N376 VanDerWaalsContact C-N 3.3Å; F374-N376 PolarHBondContact O-N 3.17Å; N376-Q379 PolarHBondContact O-N 3.5Å; N376-F380 VanDerWaalsContact O-CB 3.24Å; N376-F380 WeakPolarHBondContact O-CB 3.18Å; N376-F380 PolarHBondContact O-N 3.25Å; N376-M542 HydrophobicContact CB-CG 4.29Å; N376-M542 WeakPolarHBondContact OD1-CB 3.47Å
377	D	71.7	Confident	67.8	Low	9 Å²	9	66.5 Å²	66.5	5%	0.048	33%	0.332	C	S	.	.	H	α-helix	trans	-58.7	-54.4	174.8	-173.4	41.8	0	0	0	111.6	Q33 A373 F374 Q379 F380 W381 K432	Q33-D377 PolarHBondContact NE2-OD1 3.16Å; Q33-D377 PolarHBondContact OE1-OD1 3.06Å; A373-D377 PolarHBondContact O-N 3.34Å; F374-D377 PolarHBondContact O-N 2.73Å; D377-Q379 VanDerWaalsContact C-N 3.29Å; D377-Q379 PolarHBondContact O-N 3.15Å; D377-F380 WeakPolarHBondContact O-CB 3.42Å; D377-F380 PolarHBondContact O-N 2.96Å; D377-F380 VanDerWaalsContact O-N 3.16Å; D377-W381 PolarHBondContact O-N 3.31Å; D377-W381 PolarHBondContact OD1-NE1 3.43Å; D377-K432 WeakPolarHBondContact OD2-CE 3.42Å; D377-K432 IonicContact OD2-NZ 2.98Å; D377-K432 PolarHBondContact OD2-NZ 2.76Å
378	I	73.6	Confident	67.3	Low	60 Å²	60	69.2 Å²	69.2	31%	0.308	34%	0.342	S	S	.	.	H	α-helix	trans	-58.9	-42.3	178.2	-66	173.9	0	0	0	111.3	F374 N382 I428	F374-I378 HydrophobicContact CD1-CD1 3.99Å; F374-I378 HydrophobicContact CE1-CD1 3.45Å; F374-I378 VanDerWaalsContact CE1-CD1 3.45Å; F374-I378 HydrophobicContact CE2-CD1 4.16Å; F374-I378 HydrophobicContact CZ-CD1 3.57Å; F374-I378 PolarHBondContact O-N 3.19Å; I378-N382 VanDerWaalsContact O-CB 3.24Å; I378-N382 WeakPolarHBondContact O-CB 3.5Å; I378-N382 PolarHBondContact O-N 2.7Å; I378-I428 HydrophobicContact CD1-CD1 4.28Å
379	Q	72.3	Confident	66.3	Low	118 Å²	118	66.6 Å²	66.6	55%	0.551	34%	0.337	S	S	*	.	H	α-helix	trans	-61.9	-46.2	177.4	-178.8	175.8	-9.6	0	0	111.5	K375 N376 D377 N382 S383	K375-Q379 VanDerWaalsContact O-CB 3.31Å; K375-Q379 WeakPolarHBondContact O-CB 3.5Å; K375-Q379 PolarHBondContact O-N 3.24Å; N376-Q379 PolarHBondContact O-N 3.5Å; D377-Q379 VanDerWaalsContact C-N 3.29Å; D377-Q379 PolarHBondContact O-N 3.15Å; Q379-N382 PolarHBondContact O-N 2.71Å; Q379-S383 WeakPolarHBondContact O-CB 3.33Å; Q379-S383 PolarHBondContact O-N 3.39Å; Q379-S383 PolarHBondContact O-OG 2.89Å
380	F	71.6	Confident	65.9	Low	32 Å²	32	65 Å²	65	14%	0.14	33%	0.33	C	S	.	.	H	α-helix	trans	-56.9	-53.3	177.3	162.9	-94.7	0	0	0	111.1	N376 D377 N382 S383 R384 F597	N376-F380 VanDerWaalsContact O-CB 3.24Å; N376-F380 WeakPolarHBondContact O-CB 3.18Å; N376-F380 PolarHBondContact O-N 3.25Å; D377-F380 WeakPolarHBondContact O-CB 3.42Å; D377-F380 PolarHBondContact O-N 2.96Å; D377-F380 VanDerWaalsContact O-N 3.16Å; F380-N382 VanDerWaalsContact C-N 3.31Å; F380-N382 PolarHBondContact O-N 2.86Å; F380-S383 PolarHBondContact O-N 3.33Å; F380-S383 PolarHBondContact O-OG 3.22Å; F380-R384 WeakPolarHBondContact O-CB 3.43Å; F380-F597 HydrophobicContact CE1-CB 4.48Å; F380-F597 HydrophobicContact CE1-CD1 4.34Å; F380-F597 HydrophobicContact CE2-CB 3.75Å; F380-F597 HydrophobicContact CE2-CG 4.39Å; F380-F597 HydrophobicContact CZ-CB 3.57Å; F380-F597 HydrophobicContact CZ-CD1 4.23Å; F380-F597 HydrophobicContact CZ-CG 4.14Å; F380-F597 WeakPolarHBondContact CZ-O 3.06Å
381	W	71.1	Confident	65.9	Low	16 Å²	16	63.4 Å²	63.4	6%	0.061	33%	0.327	C	S	.	.	H	α-helix	trans	-66.3	-28.1	179.3	-77.1	101.9	0	0	0	114.3	D377 L390 I395 W431 K432 V436	D377-W381 PolarHBondContact O-N 3.31Å; D377-W381 PolarHBondContact OD1-NE1 3.43Å; W381-L390 HydrophobicContact CH2-CD2 3.41Å; W381-L390 VanDerWaalsContact CH2-CD2 3.41Å; W381-L390 HydrophobicContact CH2-CG 4.41Å; W381-L390 HydrophobicContact CZ2-CD2 4.27Å; W381-L390 HydrophobicContact CZ3-CD2 3.62Å; W381-I395 HydrophobicContact CH2-CD1 3.71Å; W381-I395 HydrophobicContact CH2-CG1 4.1Å; W381-W431 HydrophobicContact CB-CH2 3.87Å; W381-W431 HydrophobicContact CB-CZ3 3.62Å; W381-W431 HydrophobicContact CG-CZ3 4.43Å; W381-K432 HydrophobicContact CD2-CB 4.46Å; W381-K432 HydrophobicContact CD2-CD 4.24Å; W381-K432 HydrophobicContact CD2-CG 3.89Å; W381-K432 HydrophobicContact CE3-CB 4.39Å; W381-K432 HydrophobicContact CE3-CG 4.28Å; W381-K432 HydrophobicContact CG-CG 4.16Å; W381-K432 HydrophobicContact CH2-CB 4.28Å; W381-K432 HydrophobicContact CZ2-CB 4.42Å; W381-K432 HydrophobicContact CZ2-CD 3.94Å; W381-K432 HydrophobicContact CZ2-CG 4.23Å; W381-K432 HydrophobicContact CZ3-CB 4.3Å; W381-V436 HydrophobicContact CH2-CG2 4.15Å; W381-V436 HydrophobicContact CZ3-CG2 3.59Å
382	N	74.8	Confident	65.9	Low	99 Å²	99	58.6 Å²	58.6	53%	0.529	31%	0.307	S	S	.	.	H	α-helix	trans	-83.5	-32.6	179.9	-163.6	36.5	0	0	0	113.2	I378 Q379 F380 W431	I378-N382 VanDerWaalsContact O-CB 3.24Å; I378-N382 WeakPolarHBondContact O-CB 3.5Å; I378-N382 PolarHBondContact O-N 2.7Å; Q379-N382 PolarHBondContact O-N 2.71Å; F380-N382 VanDerWaalsContact C-N 3.31Å; F380-N382 PolarHBondContact O-N 2.86Å; N382-W431 HydrophobicContact CB-CH2 4.25Å
383	S	68.1	Low	65.8	Low	85 Å²	85	61.8 Å²	61.8	59%	0.594	32%	0.315	S	S	*	.	H	α-helix	trans	-79.4	-13.5	-178.3	63.8	0	0	0	0	115.2	Q379 F380	Q379-S383 WeakPolarHBondContact O-CB 3.33Å; Q379-S383 PolarHBondContact O-N 3.39Å; Q379-S383 PolarHBondContact O-OG 2.89Å; F380-S383 PolarHBondContact O-N 3.33Å; F380-S383 PolarHBondContact O-OG 3.22Å
384	R	63.3	Low	65.9	Low	55 Å²	55	62.4 Å²	62.4	21%	0.208	32%	0.32	C	S	.	.			trans	-92.3	133.4	-162.8	-168.8	158	-169.1	117.5	33.9	113.9	F380 S386 F597 G598 T599	F380-R384 WeakPolarHBondContact O-CB 3.43Å; R384-S386 WeakPolarHBondContact CD-O 3.5Å; R384-S386 VanDerWaalsContact CG-O 3.31Å; R384-S386 WeakPolarHBondContact CG-O 3.41Å; R384-S386 PolarHBondContact NE-O 3.3Å; R384-S386 PolarHBondContact NH2-OG 3.04Å; R384-F597 PolarHBondContact NH1-O 3.38Å; R384-G598 VanDerWaalsContact CZ-C 3.46Å; R384-G598 VanDerWaalsContact NH1-C 3.35Å; R384-G598 PolarHBondContact NH2-O 2.83Å; R384-T599 PolarHBondContact NH1-OG1 3.12Å
385	Q	55.1	Low	66.2	Low	187 Å²	187	60 Å²	60	87%	0.874	31%	0.309	S	S	*	.			trans	-106.7	-28.6	179.3	-61.8	-66.9	-30.4	0	0	113.6
386	S	57	Low	66.2	Low	55 Å²	55	58.2 Å²	58.2	39%	0.385	31%	0.305	S	S	.	.			trans	-103.8	133.2	178	60	0	0	0	0	112	R384	R384-S386 WeakPolarHBondContact CD-O 3.5Å; R384-S386 VanDerWaalsContact CG-O 3.31Å; R384-S386 WeakPolarHBondContact CG-O 3.41Å; R384-S386 PolarHBondContact NE-O 3.3Å; R384-S386 PolarHBondContact NH2-OG 3.04Å
387	L	56.4	Low	66.4	Low	36 Å²	36	59.9 Å²	59.9	19%	0.188	31%	0.31	C	S	.	.			trans	-102.5	7.5	-179.7	-63.9	171.9	0	0	0	113.3	G389 L390 V436 K459	L387-G389 PolarHBondContact O-N 3.06Å; L387-L390 HydrophobicContact CD2-CD2 4.28Å; L387-L390 WeakPolarHBondContact O-CB 3.21Å; L387-L390 PolarHBondContact O-N 3.02Å; L387-V436 HydrophobicContact CD1-CG1 4.38Å; L387-V436 HydrophobicContact CD2-CG2 4.06Å; L387-K459 HydrophobicContact CD1-CB 4.07Å; L387-K459 HydrophobicContact CD1-CD 4.37Å
388	E	52.2	Low	66.7	Low	83 Å²	83	59.4 Å²	59.4	39%	0.388	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	129.8	-177.8	-169	174.4	179.9	0	0	110.8	M594 G598	E388-M594 HydrophobicContact CG-CG 4.48Å; E388-G598 WeakPolarHBondContact O-CA 3.13Å
389	G	53.7	Low	67.1	Low	33 Å²	33	57.3 Å²	57.3	34%	0.34	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.4	-4.3	-176.8	0	0	0	0	0	115.8	L387	L387-G389 PolarHBondContact O-N 3.06Å
390	L	60.9	Low	67.7	Low	11 Å²	11	56.2 Å²	56.2	6%	0.058	29%	0.291	C	S	.	.			trans	-103.2	109.7	-171.9	-153.7	81.1	0	0	0	112.8	W381 L387 V392 I395 V436 Y462 E596	W381-L390 HydrophobicContact CH2-CD2 3.41Å; W381-L390 VanDerWaalsContact CH2-CD2 3.41Å; W381-L390 HydrophobicContact CH2-CG 4.41Å; W381-L390 HydrophobicContact CZ2-CD2 4.27Å; W381-L390 HydrophobicContact CZ3-CD2 3.62Å; L387-L390 HydrophobicContact CD2-CD2 4.28Å; L387-L390 WeakPolarHBondContact O-CB 3.21Å; L387-L390 PolarHBondContact O-N 3.02Å; L390-V392 PolarHBondContact O-N 3.22Å; L390-I395 HydrophobicContact CD2-CD1 3.87Å; L390-I395 HydrophobicContact CG-CD1 4.06Å; L390-V436 HydrophobicContact CD2-CG2 4.4Å; L390-Y462 PolarHBondContact O-OH 2.62Å; L390-E596 VanDerWaalsContact CD1-O 3.31Å; L390-E596 WeakPolarHBondContact CD1-O 3.37Å
391	S	64	Low	68.1	Low	32 Å²	32	55.5 Å²	55.5	22%	0.224	29%	0.288	C	S	.	.			trans	-71	104.8	-175.1	-173.7	0	0	0	0	113.3	R393 S394 I395	S391-R393 PolarHBondContact O-N 3.39Å; S391-S394 VanDerWaalsContact O-CB 3.29Å; S391-S394 WeakPolarHBondContact O-CB 3.33Å; S391-S394 PolarHBondContact O-N 3.4Å; S391-I395 PolarHBondContact O-N 3.08Å
392	V	67.8	Low	68.6	Low	26 Å²	26	55 Å²	55	16%	0.158	29%	0.288	C	S	.	.	H	α-helix	trans	-53.4	-39.3	176	-170.3	0	0	0	0	112.3	L390 S394 I395 I396 V436	L390-V392 PolarHBondContact O-N 3.22Å; V392-S394 VanDerWaalsContact C-N 3.32Å; V392-S394 PolarHBondContact O-N 2.83Å; V392-I395 PolarHBondContact O-N 3.06Å; V392-I396 HydrophobicContact CG1-CD1 4.09Å; V392-I396 WeakPolarHBondContact O-CG1 3.44Å; V392-I396 PolarHBondContact O-N 3.32Å; V392-I396 VanDerWaalsContact O-N 3.1Å; V392-V436 HydrophobicContact CB-CG1 4.47Å; V392-V436 HydrophobicContact CG1-CG1 4.19Å; V392-V436 HydrophobicContact CG2-CG1 3.79Å
393	R	66.7	Low	69.2	Low	125 Å²	125	53.8 Å²	53.8	47%	0.472	28%	0.281	S	S	.	.	H	α-helix	trans	-62.6	-39.6	178	-66.5	-179	-177.4	159.6	-2.2	112.1	S391 I396 F397 D472	S391-R393 PolarHBondContact O-N 3.39Å; R393-I396 PolarHBondContact O-N 3.42Å; R393-F397 WeakPolarHBondContact O-CB 3.19Å; R393-F397 PolarHBondContact O-N 3.05Å; R393-D472 IonicContact CZ-OD1 2.76Å; R393-D472 VanDerWaalsContact CZ-OD1 3.3Å; R393-D472 IonicContact NH1-OD1 3.3Å; R393-D472 PolarHBondContact NH1-OD1 3.05Å; R393-D472 IonicContact NH2-OD1 2.71Å; R393-D472 PolarHBondContact NH2-OD1 2.96Å
394	S	67.9	Low	70.1	Confident	22 Å²	22	50 Å²	50	15%	0.154	25%	0.253	C	S	.	.	H	α-helix	trans	-64.6	-42.2	178.6	-170.6	0	0	0	0	111.6	V32 T34 S391 V392 F397 G398	V32-S394 WeakPolarHBondContact CG1-OG 3.36Å; T34-S394 WeakPolarHBondContact CG2-O 3.43Å; T34-S394 PolarHBondContact OG1-O 3.28Å; S391-S394 VanDerWaalsContact O-CB 3.29Å; S391-S394 WeakPolarHBondContact O-CB 3.33Å; S391-S394 PolarHBondContact O-N 3.4Å; V392-S394 VanDerWaalsContact C-N 3.32Å; V392-S394 PolarHBondContact O-N 2.83Å; S394-F397 WeakPolarHBondContact O-CB 3.43Å; S394-F397 PolarHBondContact O-N 3.07Å; S394-G398 PolarHBondContact O-N 3.3Å; S394-G398 VanDerWaalsContact O-N 3.13Å
395	I	73.5	Confident	71	Confident	15 Å²	15	47.6 Å²	47.6	8%	0.077	25%	0.245	C	C	.	.	H	α-helix	trans	-63	-45	177.4	-63.1	152.4	0	0	0	111.4	W381 L390 S391 V392 F397 G398 V399 K432 I433 V436	W381-I395 HydrophobicContact CH2-CD1 3.71Å; W381-I395 HydrophobicContact CH2-CG1 4.1Å; L390-I395 HydrophobicContact CD2-CD1 3.87Å; L390-I395 HydrophobicContact CG-CD1 4.06Å; S391-I395 PolarHBondContact O-N 3.08Å; V392-I395 PolarHBondContact O-N 3.06Å; I395-F397 VanDerWaalsContact C-N 3.33Å; I395-F397 PolarHBondContact O-N 3.39Å; I395-G398 PolarHBondContact O-N 3.43Å; I395-V399 PolarHBondContact O-N 3Å; I395-K432 HydrophobicContact CG2-CB 4.45Å; I395-I433 HydrophobicContact CG2-CG1 4.09Å; I395-V436 HydrophobicContact CD1-CG2 4.2Å
396	I	75.8	Confident	72.3	Confident	81 Å²	81	39.4 Å²	39.4	42%	0.415	21%	0.207	S	C	.	.	H	α-helix	trans	-62.7	-40.5	176.2	-67.2	167.8	0	0	0	111	V392 R393 G398 V399 F400 I433	V392-I396 HydrophobicContact CG1-CD1 4.09Å; V392-I396 WeakPolarHBondContact O-CG1 3.44Å; V392-I396 PolarHBondContact O-N 3.32Å; V392-I396 VanDerWaalsContact O-N 3.1Å; R393-I396 PolarHBondContact O-N 3.42Å; I396-G398 VanDerWaalsContact C-N 3.28Å; I396-G398 PolarHBondContact O-N 3.42Å; I396-V399 PolarHBondContact O-N 3.19Å; I396-F400 PolarHBondContact O-N 2.89Å; I396-F400 VanDerWaalsContact O-N 3.09Å; I396-I433 HydrophobicContact CG1-CD1 4.3Å
397	F	76.6	Confident	73.7	Confident	77 Å²	77	39.5 Å²	39.5	34%	0.338	20%	0.203	S	C	.	.	H	α-helix	trans	-61.9	-35.1	177.2	-172.4	-91.7	0	0	0	112.5	R393 S394 I395 F400 Q401 L514 T521	R393-F397 WeakPolarHBondContact O-CB 3.19Å; R393-F397 PolarHBondContact O-N 3.05Å; S394-F397 WeakPolarHBondContact O-CB 3.43Å; S394-F397 PolarHBondContact O-N 3.07Å; I395-F397 VanDerWaalsContact C-N 3.33Å; I395-F397 PolarHBondContact O-N 3.39Å; F397-F400 WeakPolarHBondContact O-CB 3.48Å; F397-F400 PolarHBondContact O-N 3.15Å; F397-Q401 PolarHBondContact O-N 3.46Å; F397-L514 HydrophobicContact CE1-CD2 4.16Å; F397-L514 HydrophobicContact CZ-CD2 3.8Å; F397-T521 HydrophobicContact CD1-CG2 4.17Å; F397-T521 HydrophobicContact CE1-CG2 3.55Å; F397-T521 HydrophobicContact CZ-CG2 4.32Å
398	G	77.6	Confident	75	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-71.6	-39.2	174.7	0	0	0	0	0	115.4	T34 S394 I395 I396 F400 Q401 S402	T34-G398 VanDerWaalsContact CG2-CA 3.43Å; T34-G398 VanDerWaalsContact O-CA 3.27Å; T34-G398 WeakPolarHBondContact O-CA 3.39Å; S394-G398 PolarHBondContact O-N 3.3Å; S394-G398 VanDerWaalsContact O-N 3.13Å; I395-G398 PolarHBondContact O-N 3.43Å; I396-G398 VanDerWaalsContact C-N 3.28Å; I396-G398 PolarHBondContact O-N 3.42Å; G398-F400 PolarHBondContact O-N 3.2Å; G398-Q401 CarbonylContact O-C 3.58Å; G398-Q401 PolarHBondContact O-N 3.2Å; G398-Q401 VanDerWaalsContact O-N 3.08Å; G398-S402 WeakPolarHBondContact O-CB 3.26Å; G398-S402 PolarHBondContact O-N 3.22Å; G398-S402 PolarHBondContact O-OG 2.96Å
399	V	82.8	Confident	76.2	Confident	16 Å²	16	34.1 Å²	34.1	10%	0.097	18%	0.177	C	C	.	.	H	α-helix	trans	-60.6	-36.3	171.7	170.1	0	0	0	0	110.4	I395 I396 L403 L426 D429 L430 I433	I395-V399 PolarHBondContact O-N 3Å; I396-V399 PolarHBondContact O-N 3.19Å; V399-L403 WeakPolarHBondContact O-CB 2.88Å; V399-L403 PolarHBondContact O-N 3.36Å; V399-L426 HydrophobicContact CG1-CD1 4.24Å; V399-D429 VanDerWaalsContact CG2-C 3.46Å; V399-D429 HydrophobicContact CG2-CB 3.66Å; V399-D429 WeakPolarHBondContact CG2-O 3.31Å; V399-L430 HydrophobicContact CG1-CD2 3.64Å; V399-L430 HydrophobicContact CG1-CG 4.15Å; V399-I433 HydrophobicContact CB-CD1 3.95Å; V399-I433 HydrophobicContact CG1-CD1 4.13Å; V399-I433 HydrophobicContact CG2-CD1 3.6Å; V399-I433 HydrophobicContact CG2-CG1 4.02Å
400	F	84.6	Confident	77.4	Confident	94 Å²	94	36.8 Å²	36.8	41%	0.412	18%	0.183	S	C	.	.	H	α-helix	trans	-64.1	-45.2	170.4	171.9	-99.8	0	0	0	112.4	I396 F397 G398 L403 V404	I396-F400 PolarHBondContact O-N 2.89Å; I396-F400 VanDerWaalsContact O-N 3.09Å; F397-F400 WeakPolarHBondContact O-CB 3.48Å; F397-F400 PolarHBondContact O-N 3.15Å; G398-F400 PolarHBondContact O-N 3.2Å; F400-L403 PolarHBondContact O-N 3.12Å; F400-V404 HydrophobicContact CD2-CG2 4.36Å; F400-V404 HydrophobicContact CE1-CG2 4.05Å; F400-V404 HydrophobicContact CE2-CG2 3.89Å; F400-V404 HydrophobicContact CZ-CG2 3.72Å; F400-V404 WeakPolarHBondContact O-CG2 3.46Å; F400-V404 PolarHBondContact O-N 3.04Å
401	Q	79.9	Confident	78.2	Confident	17 Å²	17	37.9 Å²	37.9	8%	0.079	19%	0.189	C	C	.	.	H	α-helix	trans	-61.9	-53	176	174.6	164.7	-17.9	0	0	112.4	A35 F397 G398 L403 V404 V405 L514	A35-Q401 VanDerWaalsContact CB-NE2 3.28Å; F397-Q401 PolarHBondContact O-N 3.46Å; G398-Q401 CarbonylContact O-C 3.58Å; G398-Q401 PolarHBondContact O-N 3.2Å; G398-Q401 VanDerWaalsContact O-N 3.08Å; Q401-L403 PolarHBondContact O-N 3.33Å; Q401-V404 PolarHBondContact O-N 3.38Å; Q401-V404 VanDerWaalsContact O-N 3.1Å; Q401-V405 HydrophobicContact CG-CG2 4.46Å; Q401-V405 WeakPolarHBondContact O-CG2 3.3Å; Q401-V405 PolarHBondContact O-N 3.06Å; Q401-L514 HydrophobicContact CB-CD1 4.35Å; Q401-L514 HydrophobicContact CG-CD1 4.21Å
402	S	81.3	Confident	78.5	Confident	7 Å²	7	37.3 Å²	37.3	5%	0.049	18%	0.183	C	C	.	.	H	α-helix	trans	-55.8	-34.9	175.9	-62.5	0	0	0	0	111.9	G398 L406 D429	G398-S402 WeakPolarHBondContact O-CB 3.26Å; G398-S402 PolarHBondContact O-N 3.22Å; G398-S402 PolarHBondContact O-OG 2.96Å; S402-L406 WeakPolarHBondContact O-CB 3.4Å; S402-L406 PolarHBondContact O-N 3.22Å; S402-D429 PolarHBondContact OG-OD2 3.36Å
403	L	87.9	Confident	78.3	Confident	73 Å²	73	40.9 Å²	40.9	38%	0.382	20%	0.198	S	C	.	.	H	α-helix	trans	-70.6	-45	174.9	176.6	63.7	0	0	0	112.7	V399 F400 Q401 V405 L406 L407 L426	V399-L403 WeakPolarHBondContact O-CB 2.88Å; V399-L403 PolarHBondContact O-N 3.36Å; F400-L403 PolarHBondContact O-N 3.12Å; Q401-L403 PolarHBondContact O-N 3.33Å; L403-V405 VanDerWaalsContact C-N 3.31Å; L403-V405 PolarHBondContact O-N 3.19Å; L403-L406 PolarHBondContact O-N 3.35Å; L403-L407 HydrophobicContact CD1-CD1 4.04Å; L403-L407 HydrophobicContact CD1-CG 4.22Å; L403-L407 HydrophobicContact CG-CD1 3.92Å; L403-L407 WeakPolarHBondContact O-CB 3.29Å; L403-L407 VanDerWaalsContact O-CG 3.31Å; L403-L407 WeakPolarHBondContact O-CG 3.47Å; L403-L407 PolarHBondContact O-N 2.95Å; L403-L426 HydrophobicContact CB-CD1 4.12Å; L403-L426 HydrophobicContact CB-CD2 4.43Å; L403-L426 HydrophobicContact CD1-CD2 3.97Å
404	V	86.3	Confident	78	Confident	4 Å²	4	35.9 Å²	35.9	2%	0.024	18%	0.182	C	C	.	.	H	α-helix	trans	-59.6	-44.6	175.6	167.7	0	0	0	0	110.4	F400 Q401 L407 Y408 L510 L514	F400-V404 HydrophobicContact CD2-CG2 4.36Å; F400-V404 HydrophobicContact CE1-CG2 4.05Å; F400-V404 HydrophobicContact CE2-CG2 3.89Å; F400-V404 HydrophobicContact CZ-CG2 3.72Å; F400-V404 WeakPolarHBondContact O-CG2 3.46Å; F400-V404 PolarHBondContact O-N 3.04Å; Q401-V404 PolarHBondContact O-N 3.38Å; Q401-V404 VanDerWaalsContact O-N 3.1Å; V404-L407 PolarHBondContact O-N 3.23Å; V404-Y408 WeakPolarHBondContact O-CB 3.47Å; V404-Y408 PolarHBondContact O-N 3.45Å; V404-L510 HydrophobicContact CG1-CB 3.77Å; V404-L510 HydrophobicContact CG2-CD1 4.39Å; V404-L514 HydrophobicContact CB-CD1 4.05Å; V404-L514 HydrophobicContact CG1-CD1 3.9Å; V404-L514 HydrophobicContact CG2-CD1 4.35Å
405	V	82.9	Confident	77.6	Confident	6 Å²	6	36.1 Å²	36.1	4%	0.036	18%	0.181	C	C	.	.	H	α-helix	trans	-61.8	-50.4	177	177.8	0	0	0	0	110.3	A38 Q401 L403 L407 Y408 I409 V422 Y511	A38-V405 HydrophobicContact CB-CB 4.45Å; A38-V405 HydrophobicContact CB-CG1 3.67Å; A38-V405 HydrophobicContact CB-CG2 4.41Å; Q401-V405 HydrophobicContact CG-CG2 4.46Å; Q401-V405 WeakPolarHBondContact O-CG2 3.3Å; Q401-V405 PolarHBondContact O-N 3.06Å; L403-V405 VanDerWaalsContact C-N 3.31Å; L403-V405 PolarHBondContact O-N 3.19Å; V405-L407 PolarHBondContact O-N 3.29Å; V405-Y408 WeakPolarHBondContact O-CB 3.42Å; V405-Y408 PolarHBondContact O-N 3.13Å; V405-Y408 VanDerWaalsContact O-N 3.13Å; V405-I409 HydrophobicContact CG1-CD1 3.46Å; V405-I409 VanDerWaalsContact CG1-CD1 3.46Å; V405-I409 HydrophobicContact CG1-CG1 4.18Å; V405-I409 WeakPolarHBondContact O-CB 3.42Å; V405-I409 WeakPolarHBondContact O-CD1 3.09Å; V405-I409 WeakPolarHBondContact O-CG1 3.32Å; V405-I409 PolarHBondContact O-N 3.14Å; V405-V422 HydrophobicContact CG1-CG1 4.34Å; V405-Y511 HydrophobicContact CB-CD2 4.47Å; V405-Y511 HydrophobicContact CG1-CE2 4.12Å; V405-Y511 HydrophobicContact CG2-CD2 3.93Å; V405-Y511 HydrophobicContact CG2-CE2 4.03Å
406	L	83.1	Confident	77.1	Confident	14 Å²	14	39.6 Å²	39.6	7%	0.073	20%	0.196	C	C	.	.	H	α-helix	trans	-56.1	-45.8	176.1	179.9	67.4	0	0	0	113.2	S402 L403 Y408 I409 L410 V422 F423 L426	S402-L406 WeakPolarHBondContact O-CB 3.4Å; S402-L406 PolarHBondContact O-N 3.22Å; L403-L406 PolarHBondContact O-N 3.35Å; L406-Y408 VanDerWaalsContact C-N 3.28Å; L406-Y408 PolarHBondContact O-N 3.5Å; L406-I409 WeakPolarHBondContact O-CB 3.3Å; L406-I409 PolarHBondContact O-N 3.25Å; L406-L410 HydrophobicContact CD1-CD1 4.27Å; L406-L410 HydrophobicContact CD1-CG 4.45Å; L406-L410 HydrophobicContact CG-CD1 4.05Å; L406-L410 VanDerWaalsContact O-CG 3.29Å; L406-L410 WeakPolarHBondContact O-CG 3.46Å; L406-L410 PolarHBondContact O-N 3.35Å; L406-L410 VanDerWaalsContact O-N 3.13Å; L406-V422 HydrophobicContact CB-CG1 4.28Å; L406-V422 HydrophobicContact CD1-CG1 4.46Å; L406-F423 HydrophobicContact CD1-CB 4.06Å; L406-F423 HydrophobicContact CD2-CD2 3.85Å; L406-L426 HydrophobicContact CB-CD2 4.48Å; L406-L426 HydrophobicContact CD2-CD2 3.48Å; L406-L426 VanDerWaalsContact CD2-CD2 3.48Å
407	L	85.9	Confident	76.4	Confident	57 Å²	57	38.9 Å²	38.9	30%	0.298	20%	0.195	S	C	.	.	H	α-helix	trans	-60.4	-40.5	178.4	-75.8	163.5	0	0	0	111.7	L403 V404 V405 L410 D411 L507	L403-L407 HydrophobicContact CD1-CD1 4.04Å; L403-L407 HydrophobicContact CD1-CG 4.22Å; L403-L407 HydrophobicContact CG-CD1 3.92Å; L403-L407 WeakPolarHBondContact O-CB 3.29Å; L403-L407 VanDerWaalsContact O-CG 3.31Å; L403-L407 WeakPolarHBondContact O-CG 3.47Å; L403-L407 PolarHBondContact O-N 2.95Å; V404-L407 PolarHBondContact O-N 3.23Å; V405-L407 PolarHBondContact O-N 3.29Å; L407-L410 PolarHBondContact O-N 3.34Å; L407-D411 PolarHBondContact O-N 3.38Å; L407-L507 HydrophobicContact CB-CD1 4.06Å; L407-L507 HydrophobicContact CB-CD2 3.71Å; L407-L507 HydrophobicContact CD1-CD2 4.27Å
408	Y	83.5	Confident	75.8	Confident	7 Å²	7	36.2 Å²	36.2	3%	0.027	19%	0.185	C	C	.	.	H	α-helix	trans	-66.5	-42.2	178.3	-169.5	-128.1	0	0	0	112.8	Q42 V404 V405 L406 L410 D411 N412 L507 S508 Y511	Q42-Y408 HydrophobicContact CB-CD1 4.46Å; Q42-Y408 HydrophobicContact CB-CE1 3.91Å; Q42-Y408 HydrophobicContact CG-CD1 3.9Å; Q42-Y408 HydrophobicContact CG-CE1 3.32Å; Q42-Y408 PolarHBondContact NE2-OH 3.23Å; Q42-Y408 PolarHBondContact OE1-OH 3.1Å; V404-Y408 WeakPolarHBondContact O-CB 3.47Å; V404-Y408 PolarHBondContact O-N 3.45Å; V405-Y408 WeakPolarHBondContact O-CB 3.42Å; V405-Y408 PolarHBondContact O-N 3.13Å; V405-Y408 VanDerWaalsContact O-N 3.13Å; L406-Y408 VanDerWaalsContact C-N 3.28Å; L406-Y408 PolarHBondContact O-N 3.5Å; Y408-L410 VanDerWaalsContact C-N 3.27Å; Y408-L410 PolarHBondContact O-N 3.34Å; Y408-D411 PolarHBondContact O-N 3.34Å; Y408-N412 WeakPolarHBondContact CD2-ND2 3.47Å; Y408-N412 WeakPolarHBondContact CE2-ND2 3.49Å; Y408-N412 WeakPolarHBondContact O-CB 3.33Å; Y408-N412 PolarHBondContact O-N 2.93Å; Y408-N412 VanDerWaalsContact O-N 3.11Å; Y408-N412 PolarHBondContact O-ND2 3.43Å; Y408-L507 HydrophobicContact CD2-CB 3.94Å; Y408-S508 PolarHBondContact OH-OG 3.41Å; Y408-Y511 AromaticContact CD1-CD1 3.61Å; Y408-Y511 HydrophobicContact CD1-CD1 3.61Å; Y408-Y511 AromaticContact CD1-CD2 3.38Å; Y408-Y511 HydrophobicContact CD1-CD2 3.38Å; Y408-Y511 AromaticContact CD1-CE1 3.98Å; Y408-Y511 HydrophobicContact CD1-CE1 3.98Å; Y408-Y511 AromaticContact CD1-CE2 3.76Å; Y408-Y511 HydrophobicContact CD1-CE2 3.76Å; Y408-Y511 AromaticContact CD1-CG 3.27Å; Y408-Y511 HydrophobicContact CD1-CG 3.27Å; Y408-Y511 AromaticContact CE1-CD1 3.09Å; Y408-Y511 HydrophobicContact CE1-CD1 3.09Å; Y408-Y511 AromaticContact CE1-CD2 3.84Å; Y408-Y511 HydrophobicContact CE1-CD2 3.84Å; Y408-Y511 AromaticContact CE1-CE1 3.47Å; Y408-Y511 HydrophobicContact CE1-CE1 3.47Å; Y408-Y511 VanDerWaalsContact CE1-CE1 3.47Å; Y408-Y511 HydrophobicContact CE1-CE2 4.13Å; Y408-Y511 AromaticContact CE1-CG 3.3Å; Y408-Y511 HydrophobicContact CE1-CG 3.3Å; Y408-Y511 AromaticContact CE1-CZ 3.96Å; Y408-Y511 HydrophobicContact CG-CD2 4.11Å; Y408-Y511 AromaticContact CG-CG 3.97Å; Y408-Y511 HydrophobicContact CG-CG 3.97Å; Y408-Y511 AromaticContact CZ-CD1 3.77Å
409	I	76.9	Confident	75.2	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-60.1	-38.3	177.3	-70.7	168.4	0	0	0	111.7	P41 V405 L406 T414 Q419 V422	P41-I409 HydrophobicContact CB-CG1 4.24Å; P41-I409 VanDerWaalsContact CD-CG1 3.42Å; P41-I409 HydrophobicContact CG-CB 4.39Å; P41-I409 HydrophobicContact CG-CD1 3.38Å; P41-I409 HydrophobicContact CG-CG1 3.44Å; P41-I409 VanDerWaalsContact CG-CG1 3.44Å; P41-I409 HydrophobicContact CG-CG2 4.06Å; V405-I409 HydrophobicContact CG1-CD1 3.46Å; V405-I409 VanDerWaalsContact CG1-CD1 3.46Å; V405-I409 HydrophobicContact CG1-CG1 4.18Å; V405-I409 WeakPolarHBondContact O-CB 3.42Å; V405-I409 WeakPolarHBondContact O-CD1 3.09Å; V405-I409 WeakPolarHBondContact O-CG1 3.32Å; V405-I409 PolarHBondContact O-N 3.14Å; L406-I409 WeakPolarHBondContact O-CB 3.3Å; L406-I409 PolarHBondContact O-N 3.25Å; I409-T414 WeakPolarHBondContact CG2-OG1 2.99Å; I409-T414 PolarHBondContact O-N 2.8Å; I409-T414 PolarHBondContact O-OG1 3.21Å; I409-Q419 HydrophobicContact CG2-CB 4.39Å; I409-Q419 HydrophobicContact CG2-CG 3.63Å; I409-V422 HydrophobicContact CD1-CB 3.92Å; I409-V422 HydrophobicContact CD1-CG1 3.76Å; I409-V422 HydrophobicContact CD1-CG2 3.77Å
410	L	78.6	Confident	74.7	Confident	89 Å²	89	39.8 Å²	39.8	47%	0.466	20%	0.204	S	C	.	.	H	α-helix	trans	-72.9	-42.8	177	-67.4	168.5	0	0	0	112	L406 L407 Y408 N412 E413 Q419	L406-L410 HydrophobicContact CD1-CD1 4.27Å; L406-L410 HydrophobicContact CD1-CG 4.45Å; L406-L410 HydrophobicContact CG-CD1 4.05Å; L406-L410 VanDerWaalsContact O-CG 3.29Å; L406-L410 WeakPolarHBondContact O-CG 3.46Å; L406-L410 PolarHBondContact O-N 3.35Å; L406-L410 VanDerWaalsContact O-N 3.13Å; L407-L410 PolarHBondContact O-N 3.34Å; Y408-L410 VanDerWaalsContact C-N 3.27Å; Y408-L410 PolarHBondContact O-N 3.34Å; L410-N412 PolarHBondContact O-N 3.29Å; L410-E413 PolarHBondContact O-N 2.9Å; L410-Q419 HydrophobicContact CD2-CG 4.24Å
411	D	78.4	Confident	73.8	Confident	34 Å²	34	37.2 Å²	37.2	18%	0.182	20%	0.198	C	C	.	.	H	α-helix	trans	-63.9	-22	175.8	-170.8	69.2	0	0	0	113.1	L407 Y408 K500 Y503 S504 L507	L407-D411 PolarHBondContact O-N 3.38Å; Y408-D411 PolarHBondContact O-N 3.34Å; D411-K500 PolarHBondContact O-NZ 3.29Å; D411-Y503 HydrophobicContact CB-CE1 4.32Å; D411-Y503 WeakPolarHBondContact OD1-CD1 3Å; D411-S504 WeakPolarHBondContact OD2-CB 3.03Å; D411-S504 PolarHBondContact OD2-OG 2.97Å; D411-L507 HydrophobicContact CB-CD1 3.96Å
412	N	70.2	Confident	73.4	Confident	19 Å²	19	36.5 Å²	36.5	10%	0.102	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	8.6	-179.6	-75.3	-76.8	0	0	0	115.1	Q42 Q43 Y408 L410 T414	Q42-N412 HydrophobicContact CG-CB 4.25Å; Q42-N412 VanDerWaalsContact NE2-CG 3.26Å; Q42-N412 PolarHBondContact NE2-ND2 2.89Å; Q42-N412 VanDerWaalsContact NE2-ND2 3.17Å; Q42-N412 PolarHBondContact NE2-OD1 3.11Å; Q43-N412 PolarHBondContact NE2-OD1 3.39Å; Y408-N412 WeakPolarHBondContact CD2-ND2 3.47Å; Y408-N412 WeakPolarHBondContact CE2-ND2 3.49Å; Y408-N412 WeakPolarHBondContact O-CB 3.33Å; Y408-N412 PolarHBondContact O-N 2.93Å; Y408-N412 VanDerWaalsContact O-N 3.11Å; Y408-N412 PolarHBondContact O-ND2 3.43Å; L410-N412 PolarHBondContact O-N 3.29Å; N412-T414 HydrophobicContact CB-CG2 3.89Å; N412-T414 PolarHBondContact O-N 3.08Å; N412-T414 VanDerWaalsContact O-N 3.11Å
413	E	64.3	Low	73.4	Confident	102 Å²	102	41.1 Å²	41.1	48%	0.477	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	37	177.8	-67.1	-177.4	-158.2	0	0	113.5	K203 Q336 L410	K203-E413 IonicContact NZ-OE2 2.67Å; K203-E413 PolarHBondContact NZ-OE2 3.02Å; K203-E413 VanDerWaalsContact NZ-OE2 3.1Å; Q336-E413 PolarHBondContact NE2-O 2.92Å; L410-E413 PolarHBondContact O-N 2.9Å
414	T	60.8	Low	72.8	Confident	20 Å²	20	41.6 Å²	41.6	12%	0.123	22%	0.216	C	C	.	.			trans	-71.2	169.5	-174.2	58.5	0	0	0	0	113.5	P41 I409 N412 F416 Q419	P41-T414 HydrophobicContact CB-CG2 4.02Å; I409-T414 WeakPolarHBondContact CG2-OG1 2.99Å; I409-T414 PolarHBondContact O-N 2.8Å; I409-T414 PolarHBondContact O-OG1 3.21Å; N412-T414 HydrophobicContact CB-CG2 3.89Å; N412-T414 PolarHBondContact O-N 3.08Å; N412-T414 VanDerWaalsContact O-N 3.11Å; T414-F416 PolarHBondContact O-N 2.79Å; T414-Q419 PolarHBondContact O-NE2 3.36Å
415	N	59.1	Low	72.3	Confident	27 Å²	27	41.6 Å²	41.6	14%	0.144	22%	0.217	C	C	.	.			trans	-52.9	123.8	-177.3	-170.3	-67.7	0	0	0	112.1	Q53 D340 V417 V418 Q419	Q53-N415 PolarHBondContact NE2-ND2 2.8Å; D340-N415 PolarHBondContact OD2-ND2 2.96Å; N415-V417 PolarHBondContact O-N 3.13Å; N415-V417 PolarHBondContact OD1-N 3.15Å; N415-V417 VanDerWaalsContact OD1-N 3.14Å; N415-V418 HydrophobicContact CB-CG2 4.14Å; N415-V418 PolarHBondContact O-N 2.7Å; N415-Q419 PolarHBondContact O-N 2.93Å; N415-Q419 VanDerWaalsContact O-N 3.14Å
416	F	63.2	Low	72.3	Confident	88 Å²	88	41.9 Å²	41.9	39%	0.386	22%	0.218	S	C	.	.	H	α-helix	trans	-50.4	-34.5	-176	177.5	-105.1	0	0	0	114.5	L329 T333 T414 V418 Q419 V420	L329-F416 HydrophobicContact CD1-CD1 4.32Å; L329-F416 HydrophobicContact CD1-CE1 4.48Å; L329-F416 HydrophobicContact CD2-CE1 4.35Å; L329-F416 HydrophobicContact CD2-CZ 4.45Å; T333-F416 HydrophobicContact CG2-CB 4.45Å; T414-F416 PolarHBondContact O-N 2.79Å; F416-V418 VanDerWaalsContact C-N 3.29Å; F416-V418 PolarHBondContact O-N 3.33Å; F416-Q419 WeakPolarHBondContact O-CB 3.1Å; F416-Q419 PolarHBondContact O-N 2.77Å; F416-V420 HydrophobicContact CD1-CG2 4.34Å; F416-V420 HydrophobicContact CD2-CG2 4.37Å; F416-V420 HydrophobicContact CE1-CG2 3.87Å; F416-V420 HydrophobicContact CE2-CG2 3.9Å; F416-V420 HydrophobicContact CZ-CG2 3.63Å; F416-V420 WeakPolarHBondContact O-CG2 3.27Å; F416-V420 PolarHBondContact O-N 2.87Å
417	V	59.6	Low	72.3	Confident	66 Å²	66	45.3 Å²	45.3	40%	0.4	24%	0.236	S	C	.	.	H	α-helix	trans	-68.3	-31.4	179.3	174.9	0	0	0	0	112	K56 N415 S421	K56-V417 VanDerWaalsContact NZ-CG2 3.26Å; N415-V417 PolarHBondContact O-N 3.13Å; N415-V417 PolarHBondContact OD1-N 3.15Å; N415-V417 VanDerWaalsContact OD1-N 3.14Å; V417-S421 PolarHBondContact O-N 2.99Å
418	V	64.7	Low	72.1	Confident	20 Å²	20	43.9 Å²	43.9	12%	0.121	23%	0.229	C	C	.	.	H	α-helix	trans	-81.5	-34.3	177.9	-159.8	0	0	0	0	111	Q39 P41 N415 F416 V420 S421 V422	Q39-V418 HydrophobicContact CB-CG1 4.06Å; P41-V418 HydrophobicContact CB-CB 4.44Å; P41-V418 HydrophobicContact CB-CG1 3.97Å; P41-V418 HydrophobicContact CG-CB 4.31Å; P41-V418 HydrophobicContact CG-CG1 3.5Å; N415-V418 HydrophobicContact CB-CG2 4.14Å; N415-V418 PolarHBondContact O-N 2.7Å; F416-V418 VanDerWaalsContact C-N 3.29Å; F416-V418 PolarHBondContact O-N 3.33Å; V418-V420 VanDerWaalsContact C-N 3.29Å; V418-V420 PolarHBondContact O-N 3.48Å; V418-S421 WeakPolarHBondContact CA-OG 2.95Å; V418-S421 PolarHBondContact O-N 3.03Å; V418-S421 PolarHBondContact O-OG 2.85Å; V418-S421 VanDerWaalsContact O-OG 3.09Å; V418-V422 PolarHBondContact O-N 2.63Å; V418-V422 VanDerWaalsContact O-N 3.09Å
419	Q	65.1	Low	72	Confident	37 Å²	37	43.9 Å²	43.9	17%	0.173	23%	0.229	C	C	.	.	H	α-helix	trans	-54.2	-46.7	166	-72.9	173.8	0.1	0	0	111.4	I409 L410 T414 N415 F416 F423	I409-Q419 HydrophobicContact CG2-CB 4.39Å; I409-Q419 HydrophobicContact CG2-CG 3.63Å; L410-Q419 HydrophobicContact CD2-CG 4.24Å; T414-Q419 PolarHBondContact O-NE2 3.36Å; N415-Q419 PolarHBondContact O-N 2.93Å; N415-Q419 VanDerWaalsContact O-N 3.14Å; F416-Q419 WeakPolarHBondContact O-CB 3.1Å; F416-Q419 PolarHBondContact O-N 2.77Å; Q419-F423 WeakPolarHBondContact O-CB 3.21Å; Q419-F423 PolarHBondContact O-N 2.9Å
420	V	71.8	Confident	72.3	Confident	54 Å²	54	47.5 Å²	47.5	33%	0.327	25%	0.248	S	C	.	.	H	α-helix	trans	-69.1	-39.1	179.9	171.9	0	0	0	0	112.3	F416 V418 F423 I424	F416-V420 HydrophobicContact CD1-CG2 4.34Å; F416-V420 HydrophobicContact CD2-CG2 4.37Å; F416-V420 HydrophobicContact CE1-CG2 3.87Å; F416-V420 HydrophobicContact CE2-CG2 3.9Å; F416-V420 HydrophobicContact CZ-CG2 3.63Å; F416-V420 WeakPolarHBondContact O-CG2 3.27Å; F416-V420 PolarHBondContact O-N 2.87Å; V418-V420 VanDerWaalsContact C-N 3.29Å; V418-V420 PolarHBondContact O-N 3.48Å; V420-F423 PolarHBondContact O-N 3.4Å; V420-I424 HydrophobicContact CG1-CD1 3.83Å; V420-I424 HydrophobicContact CG1-CG1 4.5Å; V420-I424 VanDerWaalsContact O-CG1 3.29Å; V420-I424 WeakPolarHBondContact O-CG1 3.24Å; V420-I424 PolarHBondContact O-N 2.77Å
421	S	67	Low	72.5	Confident	41 Å²	41	47.2 Å²	47.2	29%	0.287	24%	0.241	S	C	.	.	H	α-helix	trans	-64.8	-47.1	178.3	63.1	0	0	0	0	111.9	Q39 V417 V418 F423 I424 G425	Q39-S421 PolarHBondContact OE1-OG 3.31Å; V417-S421 PolarHBondContact O-N 2.99Å; V418-S421 WeakPolarHBondContact CA-OG 2.95Å; V418-S421 PolarHBondContact O-N 3.03Å; V418-S421 PolarHBondContact O-OG 2.85Å; V418-S421 VanDerWaalsContact O-OG 3.09Å; S421-F423 PolarHBondContact O-N 2.96Å; S421-I424 PolarHBondContact O-N 3.31Å; S421-G425 PolarHBondContact O-N 3.02Å
422	V	71.9	Confident	72.6	Confident	2 Å²	2	46 Å²	46	1%	0.012	23%	0.234	C	C	.	.	H	α-helix	trans	-68	-35.2	177.6	-179.8	0	0	0	0	111.9	V405 L406 I409 V418 I424 G425 L426	V405-V422 HydrophobicContact CG1-CG1 4.34Å; L406-V422 HydrophobicContact CB-CG1 4.28Å; L406-V422 HydrophobicContact CD1-CG1 4.46Å; I409-V422 HydrophobicContact CD1-CB 3.92Å; I409-V422 HydrophobicContact CD1-CG1 3.76Å; I409-V422 HydrophobicContact CD1-CG2 3.77Å; V418-V422 PolarHBondContact O-N 2.63Å; V418-V422 VanDerWaalsContact O-N 3.09Å; V422-I424 PolarHBondContact O-N 2.74Å; V422-G425 PolarHBondContact O-N 2.8Å; V422-L426 PolarHBondContact O-N 2.86Å
423	F	79.4	Confident	73	Confident	103 Å²	103	46.5 Å²	46.5	45%	0.452	24%	0.236	S	C	.	.	H	α-helix	trans	-60.9	-43.1	172.6	178.4	-107.7	0	0	0	112.3	L406 Q419 V420 S421 G425 L426 L427	L406-F423 HydrophobicContact CD1-CB 4.06Å; L406-F423 HydrophobicContact CD2-CD2 3.85Å; Q419-F423 WeakPolarHBondContact O-CB 3.21Å; Q419-F423 PolarHBondContact O-N 2.9Å; V420-F423 PolarHBondContact O-N 3.4Å; S421-F423 PolarHBondContact O-N 2.96Å; F423-G425 VanDerWaalsContact C-N 3.35Å; F423-L426 PolarHBondContact O-N 3.42Å; F423-L427 HydrophobicContact CD1-CD1 4.14Å; F423-L427 HydrophobicContact CE1-CD1 3.66Å; F423-L427 HydrophobicContact CE1-CG 4.28Å; F423-L427 HydrophobicContact CZ-CD1 4.05Å; F423-L427 HydrophobicContact CZ-CD2 4.35Å; F423-L427 HydrophobicContact CZ-CG 4.3Å; F423-L427 WeakPolarHBondContact O-CG 3.38Å; F423-L427 PolarHBondContact O-N 3.44Å
424	I	76.4	Confident	73.5	Confident	83 Å²	83	45.8 Å²	45.8	43%	0.426	24%	0.239	S	C	.	.	H	α-helix	trans	-65	-39.7	174.6	-68.3	165.9	0	0	0	110.8	V420 S421 V422 L426 L427 I428	V420-I424 HydrophobicContact CG1-CD1 3.83Å; V420-I424 HydrophobicContact CG1-CG1 4.5Å; V420-I424 VanDerWaalsContact O-CG1 3.29Å; V420-I424 WeakPolarHBondContact O-CG1 3.24Å; V420-I424 PolarHBondContact O-N 2.77Å; S421-I424 PolarHBondContact O-N 3.31Å; V422-I424 PolarHBondContact O-N 2.74Å; I424-L426 PolarHBondContact O-N 2.63Å; I424-L427 PolarHBondContact O-N 3.12Å; I424-I428 HydrophobicContact CG2-CD1 4Å; I424-I428 WeakPolarHBondContact O-CG1 3.4Å; I424-I428 PolarHBondContact O-N 3.06Å; I424-I428 VanDerWaalsContact O-N 3.07Å
425	G	74.9	Confident	73.9	Confident	4 Å²	4	48.4 Å²	48.4	4%	0.041	25%	0.248	C	C	.	.	H	α-helix	trans	-55.5	-49.4	172.4	0	0	0	0	0	112.5	S421 V422 F423 L427 I428 D429	S421-G425 PolarHBondContact O-N 3.02Å; V422-G425 PolarHBondContact O-N 2.8Å; F423-G425 VanDerWaalsContact C-N 3.35Å; G425-L427 VanDerWaalsContact C-N 3.34Å; G425-L427 PolarHBondContact O-N 2.99Å; G425-I428 WeakPolarHBondContact O-CB 3.46Å; G425-I428 PolarHBondContact O-N 3.43Å; G425-I428 VanDerWaalsContact O-N 3.1Å; G425-D429 PolarHBondContact O-N 3.02Å
426	L	83.4	Confident	74.2	Confident	12 Å²	12	47.4 Å²	47.4	6%	0.063	24%	0.243	C	C	.	.	H	α-helix	trans	-60.2	-39.9	176.1	179.8	64	0	0	0	112.6	V399 L403 L406 V422 F423 I424 I428 D429 L430	V399-L426 HydrophobicContact CG1-CD1 4.24Å; L403-L426 HydrophobicContact CB-CD1 4.12Å; L403-L426 HydrophobicContact CB-CD2 4.43Å; L403-L426 HydrophobicContact CD1-CD2 3.97Å; L406-L426 HydrophobicContact CB-CD2 4.48Å; L406-L426 HydrophobicContact CD2-CD2 3.48Å; L406-L426 VanDerWaalsContact CD2-CD2 3.48Å; V422-L426 PolarHBondContact O-N 2.86Å; F423-L426 PolarHBondContact O-N 3.42Å; I424-L426 PolarHBondContact O-N 2.63Å; L426-I428 VanDerWaalsContact C-N 3.29Å; L426-I428 PolarHBondContact O-N 2.9Å; L426-D429 PolarHBondContact O-N 2.92Å; L426-L430 HydrophobicContact CD1-CD1 4.47Å; L426-L430 HydrophobicContact CD1-CG 4.44Å; L426-L430 HydrophobicContact CG-CD1 4.11Å; L426-L430 WeakPolarHBondContact O-CB 3.48Å; L426-L430 VanDerWaalsContact O-CG 3.3Å; L426-L430 WeakPolarHBondContact O-CG 2.92Å; L426-L430 PolarHBondContact O-N 2.99Å
427	L	84.1	Confident	74.3	Confident	87 Å²	87	44 Å²	44	46%	0.455	23%	0.229	S	C	.	.	H	α-helix	trans	-62.6	-35.7	175.4	-70.2	177.8	0	0	0	112.4	F423 I424 G425 W431	F423-L427 HydrophobicContact CD1-CD1 4.14Å; F423-L427 HydrophobicContact CE1-CD1 3.66Å; F423-L427 HydrophobicContact CE1-CG 4.28Å; F423-L427 HydrophobicContact CZ-CD1 4.05Å; F423-L427 HydrophobicContact CZ-CD2 4.35Å; F423-L427 HydrophobicContact CZ-CG 4.3Å; F423-L427 WeakPolarHBondContact O-CG 3.38Å; F423-L427 PolarHBondContact O-N 3.44Å; I424-L427 PolarHBondContact O-N 3.12Å; G425-L427 VanDerWaalsContact C-N 3.34Å; G425-L427 PolarHBondContact O-N 2.99Å; L427-W431 WeakPolarHBondContact O-CB 3.21Å; L427-W431 PolarHBondContact O-N 3.3Å
428	I	80.5	Confident	74.3	Confident	27 Å²	27	44 Å²	44	14%	0.138	23%	0.226	C	C	.	.	H	α-helix	trans	-71.6	-41.2	176.8	-68.4	164.8	0	0	0	110.7	F374 I378 I424 G425 L426 L430 W431 K432	F374-I428 HydrophobicContact CE2-CD1 3.58Å; F374-I428 HydrophobicContact CZ-CD1 3.38Å; I378-I428 HydrophobicContact CD1-CD1 4.28Å; I424-I428 HydrophobicContact CG2-CD1 4Å; I424-I428 WeakPolarHBondContact O-CG1 3.4Å; I424-I428 PolarHBondContact O-N 3.06Å; I424-I428 VanDerWaalsContact O-N 3.07Å; G425-I428 WeakPolarHBondContact O-CB 3.46Å; G425-I428 PolarHBondContact O-N 3.43Å; G425-I428 VanDerWaalsContact O-N 3.1Å; L426-I428 VanDerWaalsContact C-N 3.29Å; L426-I428 PolarHBondContact O-N 2.9Å; I428-L430 VanDerWaalsContact C-N 3.34Å; I428-W431 WeakPolarHBondContact O-CB 3.01Å; I428-W431 PolarHBondContact O-N 3.27Å; I428-W431 VanDerWaalsContact O-N 3.14Å; I428-K432 WeakPolarHBondContact O-CG 3.35Å; I428-K432 PolarHBondContact O-N 3.16Å
429	D	81.2	Confident	73.8	Confident	7 Å²	7	46.5 Å²	46.5	4%	0.037	24%	0.242	C	C	.	.	H	α-helix	trans	-68.3	-35.2	176.8	-62.5	-33.2	0	0	0	111.7	N37 V399 S402 G425 L426 K432 I433	N37-D429 PolarHBondContact ND2-OD1 3.24Å; N37-D429 VanDerWaalsContact ND2-OD1 3.13Å; N37-D429 PolarHBondContact ND2-OD2 2.76Å; N37-D429 VanDerWaalsContact ND2-OD2 3.15Å; V399-D429 VanDerWaalsContact CG2-C 3.46Å; V399-D429 HydrophobicContact CG2-CB 3.66Å; V399-D429 WeakPolarHBondContact CG2-O 3.31Å; S402-D429 PolarHBondContact OG-OD2 3.36Å; G425-D429 PolarHBondContact O-N 3.02Å; L426-D429 PolarHBondContact O-N 2.92Å; D429-K432 WeakPolarHBondContact O-CB 3.28Å; D429-K432 PolarHBondContact O-N 2.81Å; D429-K432 WeakPolarHBondContact OD1-CE 3.44Å; D429-K432 IonicContact OD1-NZ 3.74Å; D429-K432 PolarHBondContact OD1-NZ 2.94Å; D429-I433 PolarHBondContact O-N 2.9Å
430	L	83.6	Confident	73.2	Confident	76 Å²	76	50.6 Å²	50.6	40%	0.398	26%	0.259	S	S	.	.	H	α-helix	trans	-62.8	-39.5	168.1	-74.8	167.6	0	0	0	112.2	V399 L426 I428 K432 I433 T434	V399-L430 HydrophobicContact CG1-CD2 3.64Å; V399-L430 HydrophobicContact CG1-CG 4.15Å; L426-L430 HydrophobicContact CD1-CD1 4.47Å; L426-L430 HydrophobicContact CD1-CG 4.44Å; L426-L430 HydrophobicContact CG-CD1 4.11Å; L426-L430 WeakPolarHBondContact O-CB 3.48Å; L426-L430 VanDerWaalsContact O-CG 3.3Å; L426-L430 WeakPolarHBondContact O-CG 2.92Å; L426-L430 PolarHBondContact O-N 2.99Å; I428-L430 VanDerWaalsContact C-N 3.34Å; L430-K432 VanDerWaalsContact C-N 3.35Å; L430-K432 PolarHBondContact O-N 3.13Å; L430-I433 WeakPolarHBondContact O-CB 3.23Å; L430-I433 PolarHBondContact O-N 3.32Å; L430-T434 PolarHBondContact O-N 3.37Å
431	W	83.7	Confident	72	Confident	83 Å²	83	52.8 Å²	52.8	31%	0.314	27%	0.269	S	S	.	.	H	α-helix	trans	-63	-38.4	173.8	169.9	84.6	0	0	0	112.2	W381 N382 L427 I428 I433 T434 K435	W381-W431 HydrophobicContact CB-CH2 3.87Å; W381-W431 HydrophobicContact CB-CZ3 3.62Å; W381-W431 HydrophobicContact CG-CZ3 4.43Å; N382-W431 HydrophobicContact CB-CH2 4.25Å; L427-W431 WeakPolarHBondContact O-CB 3.21Å; L427-W431 PolarHBondContact O-N 3.3Å; I428-W431 WeakPolarHBondContact O-CB 3.01Å; I428-W431 PolarHBondContact O-N 3.27Å; I428-W431 VanDerWaalsContact O-N 3.14Å; W431-I433 VanDerWaalsContact C-N 3.28Å; W431-I433 PolarHBondContact O-N 2.85Å; W431-T434 PolarHBondContact O-N 3.05Å; W431-T434 PolarHBondContact O-OG1 2.77Å; W431-K435 HydrophobicContact CZ2-CD 4.43Å; W431-K435 HydrophobicContact CZ2-CG 4.3Å; W431-K435 PolarHBondContact O-N 3.04Å
432	K	79.8	Confident	71	Confident	8 Å²	8	53.8 Å²	53.8	4%	0.035	27%	0.27	C	S	.	.	H	α-helix	trans	-55.9	-42.8	173.5	-66.3	170.5	-173.9	164.9	0	111.2	D377 W381 I395 I428 D429 L430 T434 K435 V436	D377-K432 WeakPolarHBondContact OD2-CE 3.42Å; D377-K432 IonicContact OD2-NZ 2.98Å; D377-K432 PolarHBondContact OD2-NZ 2.76Å; W381-K432 HydrophobicContact CD2-CB 4.46Å; W381-K432 HydrophobicContact CD2-CD 4.24Å; W381-K432 HydrophobicContact CD2-CG 3.89Å; W381-K432 HydrophobicContact CE3-CB 4.39Å; W381-K432 HydrophobicContact CE3-CG 4.28Å; W381-K432 HydrophobicContact CG-CG 4.16Å; W381-K432 HydrophobicContact CH2-CB 4.28Å; W381-K432 HydrophobicContact CZ2-CB 4.42Å; W381-K432 HydrophobicContact CZ2-CD 3.94Å; W381-K432 HydrophobicContact CZ2-CG 4.23Å; W381-K432 HydrophobicContact CZ3-CB 4.3Å; I395-K432 HydrophobicContact CG2-CB 4.45Å; I428-K432 WeakPolarHBondContact O-CG 3.35Å; I428-K432 PolarHBondContact O-N 3.16Å; D429-K432 WeakPolarHBondContact O-CB 3.28Å; D429-K432 PolarHBondContact O-N 2.81Å; D429-K432 WeakPolarHBondContact OD1-CE 3.44Å; D429-K432 IonicContact OD1-NZ 3.74Å; D429-K432 PolarHBondContact OD1-NZ 2.94Å; L430-K432 VanDerWaalsContact C-N 3.35Å; L430-K432 PolarHBondContact O-N 3.13Å; K432-T434 VanDerWaalsContact C-N 3.32Å; K432-T434 PolarHBondContact O-N 2.67Å; K432-K435 WeakPolarHBondContact O-CB 3.16Å; K432-K435 PolarHBondContact O-N 3.22Å; K432-K435 VanDerWaalsContact O-N 3.12Å; K432-V436 WeakPolarHBondContact O-CG2 3.47Å; K432-V436 PolarHBondContact O-N 3.09Å
433	I	77.6	Confident	69.9	Low	30 Å²	30	63.4 Å²	63.4	15%	0.154	31%	0.307	C	S	.	.	H	α-helix	trans	-57.2	-43.4	175.2	-67.6	-175	0	0	0	111.6	I395 I396 V399 D429 L430 W431 K435 V436 M437	I395-I433 HydrophobicContact CG2-CG1 4.09Å; I396-I433 HydrophobicContact CG1-CD1 4.3Å; V399-I433 HydrophobicContact CB-CD1 3.95Å; V399-I433 HydrophobicContact CG1-CD1 4.13Å; V399-I433 HydrophobicContact CG2-CD1 3.6Å; V399-I433 HydrophobicContact CG2-CG1 4.02Å; D429-I433 PolarHBondContact O-N 2.9Å; L430-I433 WeakPolarHBondContact O-CB 3.23Å; L430-I433 PolarHBondContact O-N 3.32Å; W431-I433 VanDerWaalsContact C-N 3.28Å; W431-I433 PolarHBondContact O-N 2.85Å; I433-K435 PolarHBondContact O-N 3.08Å; I433-V436 PolarHBondContact O-N 3.14Å; I433-M437 HydrophobicContact CG2-CE 3.58Å; I433-M437 PolarHBondContact O-N 3.05Å
434	T	74.8	Confident	68.5	Low	86 Å²	86	67.1 Å²	67.1	53%	0.528	33%	0.325	S	S	.	.	H	α-helix	trans	-65.5	-20.4	-179.9	71.8	0	0	0	0	114.3	L430 W431 K432	L430-T434 PolarHBondContact O-N 3.37Å; W431-T434 PolarHBondContact O-N 3.05Å; W431-T434 PolarHBondContact O-OG1 2.77Å; K432-T434 VanDerWaalsContact C-N 3.32Å; K432-T434 PolarHBondContact O-N 2.67Å
435	K	70.1	Confident	67.2	Low	75 Å²	75	68.1 Å²	68.1	33%	0.326	33%	0.331	S	S	.	.	H	α-helix	trans	-79.5	-38.4	174.7	-71.7	-76.1	-167.7	157.4	0	112	W431 K432 I433	W431-K435 HydrophobicContact CZ2-CD 4.43Å; W431-K435 HydrophobicContact CZ2-CG 4.3Å; W431-K435 PolarHBondContact O-N 3.04Å; K432-K435 WeakPolarHBondContact O-CB 3.16Å; K432-K435 PolarHBondContact O-N 3.22Å; K432-K435 VanDerWaalsContact O-N 3.12Å; I433-K435 PolarHBondContact O-N 3.08Å
436	V	66.1	Low	65.9	Low	6 Å²	6	74.3 Å²	74.3	4%	0.036	36%	0.357	C	S	.	.	H	α-helix	trans	-85.4	-32.5	-171.3	-179.5	0	0	0	0	112.8	W381 L387 L390 V392 I395 K432 I433	W381-V436 HydrophobicContact CH2-CG2 4.15Å; W381-V436 HydrophobicContact CZ3-CG2 3.59Å; L387-V436 HydrophobicContact CD1-CG1 4.38Å; L387-V436 HydrophobicContact CD2-CG2 4.06Å; L390-V436 HydrophobicContact CD2-CG2 4.4Å; V392-V436 HydrophobicContact CB-CG1 4.47Å; V392-V436 HydrophobicContact CG1-CG1 4.19Å; V392-V436 HydrophobicContact CG2-CG1 3.79Å; I395-V436 HydrophobicContact CD1-CG2 4.2Å; K432-V436 WeakPolarHBondContact O-CG2 3.47Å; K432-V436 PolarHBondContact O-N 3.09Å; I433-V436 PolarHBondContact O-N 3.14Å
437	M	64	Low	64	Low	18 Å²	18	78.6 Å²	78.6	9%	0.089	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	122.7	-170	-172	166.2	64.1	0	0	111.5	I433 V439 F456	I433-M437 HydrophobicContact CG2-CE 3.58Å; I433-M437 PolarHBondContact O-N 3.05Å; M437-V439 HydrophobicContact CE-CG2 4.01Å; M437-V439 HydrophobicContact CG-CG2 4.41Å; M437-V439 PolarHBondContact O-N 2.93Å; M437-F456 HydrophobicContact CE-CD1 3.36Å; M437-F456 HydrophobicContact CE-CE1 3.57Å; M437-F456 HydrophobicContact CE-CG 4.28Å; M437-F456 HydrophobicContact CG-CB 4.37Å; M437-F456 HydrophobicContact CG-CD1 4.22Å; M437-F456 HydrophobicContact SD-CB 3.69Å; M437-F456 HydrophobicContact SD-CD1 3.32Å; M437-F456 WeakPolarHBondContact SD-CD1 3.19Å; M437-F456 HydrophobicContact SD-CE1 4.14Å; M437-F456 HydrophobicContact SD-CG 3.72Å
438	D	59.8	Low	62.3	Low	64 Å²	64	78.9 Å²	78.9	34%	0.342	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	94.8	171.5	-85.7	-23.6	0	0	0	109	K440 K457 K459	D438-K440 VanDerWaalsContact C-N 3.35Å; D438-K440 PolarHBondContact O-N 3.07Å; D438-K457 PolarHBondContact N-O 3.33Å; D438-K459 WeakPolarHBondContact OD1-CE 2.92Å; D438-K459 IonicContact OD1-NZ 2.92Å; D438-K459 PolarHBondContact OD1-NZ 3.43Å; D438-K459 VanDerWaalsContact OD2-CE 3.26Å; D438-K459 WeakPolarHBondContact OD2-CE 3.14Å
439	V	55.1	Low	60.9	Low	73 Å²	73	80 Å²	80	44%	0.442	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	88.5	175.9	-175.4	0	0	0	0	109.6	M437 L454	M437-V439 HydrophobicContact CE-CG2 4.01Å; M437-V439 HydrophobicContact CG-CG2 4.41Å; M437-V439 PolarHBondContact O-N 2.93Å; V439-L454 HydrophobicContact CG1-CD2 3.58Å
440	K	52.6	Low	59.5	Low	124 Å²	124	86.8 Å²	86.8	54%	0.539	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	121	171.5	-68.4	-173.6	179.7	179.2	0	109.6	D438 D442 V455	D438-K440 VanDerWaalsContact C-N 3.35Å; D438-K440 PolarHBondContact O-N 3.07Å; K440-D442 PolarHBondContact O-N 3.28Å; K440-V455 PolarHBondContact O-N 3.28Å; K440-V455 VanDerWaalsContact O-N 3.09Å
441	L	45.2	Very low	57.6	Low	100 Å²	100	88.9 Å²	88.9	52%	0.524	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	92.8	179.1	-163.4	83.8	0	0	0	109	R443 P452 L454	L441-R443 PolarHBondContact O-N 3.19Å; L441-P452 HydrophobicContact CD1-CB 4.41Å; L441-P452 HydrophobicContact CD1-CG 3.99Å; L441-P452 HydrophobicContact CD2-CB 4.34Å; L441-P452 HydrophobicContact CD2-CG 3.95Å; L441-P452 HydrophobicContact CG-CB 4.07Å; L441-P452 HydrophobicContact CG-CG 3.99Å; L441-L454 HydrophobicContact CD1-CD2 3.84Å
442	D	47.4	Very low	56	Low	61 Å²	61	87.1 Å²	87.1	33%	0.326	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	101.6	-178.9	-109.6	-24.7	0	0	0	109.7	K440 E444 R453 V455	K440-D442 PolarHBondContact O-N 3.28Å; D442-E444 VanDerWaalsContact C-N 3.26Å; D442-E444 PolarHBondContact O-N 3.27Å; D442-R453 PolarHBondContact N-O 2.95Å; D442-R453 VanDerWaalsContact N-O 3.08Å; D442-R453 PolarHBondContact O-N 3.11Å; D442-V455 HydrophobicContact CB-CB 4.15Å; D442-V455 HydrophobicContact CB-CG2 3.68Å; D442-V455 WeakPolarHBondContact OD2-CG2 3.32Å
443	R	48.2	Very low	54.2	Low	205 Å²	205	92.9 Å²	92.9	77%	0.774	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.2	-10.8	-172.6	-151.1	166.3	-177.5	168.4	-1.6	113	L441	L441-R443 PolarHBondContact O-N 3.19Å
444	E	49.3	Very low	52.8	Low	180 Å²	180	95.6 Å²	95.6	84%	0.841	49%	0.493	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.7	-35.2	-176.8	-60.9	-170.8	153.6	0	0	113.3	D442	D442-E444 VanDerWaalsContact C-N 3.26Å; D442-E444 PolarHBondContact O-N 3.27Å
445	N	50.9	Low	51.4	Low	104 Å²	104	93 Å²	93	56%	0.556	48%	0.477	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.4	102.5	175.9	-90.7	-63.3	0	0	0	110.3	R453	N445-R453 WeakPolarHBondContact O-CB 3.35Å; N445-R453 PolarHBondContact O-N 3.5Å; N445-R453 VanDerWaalsContact O-N 3.15Å
446	K	47.1	Very low	50.3	Low	134 Å²	134	94.9 Å²	94.9	58%	0.583	49%	0.486	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89	134.1	178.5	-58	-177	-171.9	175.2	0	111.5	G449 L451	K446-G449 WeakPolarHBondContact CD-O 3.49Å; K446-L451 CarbonylContact C-O 3.57Å; K446-L451 VanDerWaalsContact CA-O 3.31Å; K446-L451 WeakPolarHBondContact CA-O 3.45Å
447	I	43.3	Very low	49.4	Very low	102 Å²	102	100.4 Å²	100.4	52%	0.523	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	128.9	164.5	-61.6	176.7	0	0	0	107.5	G449 L451 R453	I447-G449 PolarHBondContact O-N 2.88Å; I447-G449 VanDerWaalsContact O-N 3.1Å; I447-L451 PolarHBondContact N-O 3.34Å; I447-L451 PolarHBondContact O-N 3.06Å; I447-R453 HydrophobicContact CD1-CB 4.34Å; I447-R453 HydrophobicContact CD1-CG 3.95Å; I447-R453 HydrophobicContact CG1-CB 4.14Å; I447-R453 HydrophobicContact CG1-CG 4.14Å
448	A	47.9	Very low	48.7	Very low	93 Å²	93	103.7 Å²	103.7	77%	0.769	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	34.1	179.6	0	0	0	0	0	114.6	I450	A448-I450 PolarHBondContact O-N 3.17Å
449	G	50.5	Low	48.2	Very low	51 Å²	51	104.8 Å²	104.8	53%	0.526	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.6	-17.2	172.2	0	0	0	0	0	117.2	K446 I447	K446-G449 WeakPolarHBondContact CD-O 3.49Å; I447-G449 PolarHBondContact O-N 2.88Å; I447-G449 VanDerWaalsContact O-N 3.1Å
450	I	53.5	Low	47.8	Very low	150 Å²	150	106.6 Å²	106.6	77%	0.769	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.4	-36.3	-169.4	-60.8	168	0	0	0	112	A448	A448-I450 PolarHBondContact O-N 3.17Å
451	L	43.4	Very low	47	Very low	119 Å²	119	105.5 Å²	105.5	62%	0.623	55%	0.549	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.5	128.9	-175.7	-67	171.5	0	0	0	111.6	K446 I447	K446-L451 CarbonylContact C-O 3.57Å; K446-L451 VanDerWaalsContact CA-O 3.31Å; K446-L451 WeakPolarHBondContact CA-O 3.45Å; I447-L451 PolarHBondContact N-O 3.34Å; I447-L451 PolarHBondContact O-N 3.06Å
452	P	48.8	Very low	46.9	Very low	47 Å²	47	105.5 Å²	105.5	31%	0.305	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	138.4	172	29.6	-33.8	0	0	0	109.8	L441 L454	L441-P452 HydrophobicContact CD1-CB 4.41Å; L441-P452 HydrophobicContact CD1-CG 3.99Å; L441-P452 HydrophobicContact CD2-CB 4.34Å; L441-P452 HydrophobicContact CD2-CG 3.95Å; L441-P452 HydrophobicContact CG-CB 4.07Å; L441-P452 HydrophobicContact CG-CG 3.99Å; P452-L454 PolarHBondContact O-N 3.4Å
453	R	43.6	Very low	46.7	Very low	128 Å²	128	108.4 Å²	108.4	48%	0.483	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-72.5	120.8	-177.5	-175.7	169.7	-176.3	177.8	-0	109.7	D442 N445 I447 V455	D442-R453 PolarHBondContact N-O 2.95Å; D442-R453 VanDerWaalsContact N-O 3.08Å; D442-R453 PolarHBondContact O-N 3.11Å; N445-R453 WeakPolarHBondContact O-CB 3.35Å; N445-R453 PolarHBondContact O-N 3.5Å; N445-R453 VanDerWaalsContact O-N 3.15Å; I447-R453 HydrophobicContact CD1-CB 4.34Å; I447-R453 HydrophobicContact CD1-CG 3.95Å; I447-R453 HydrophobicContact CG1-CB 4.14Å; I447-R453 HydrophobicContact CG1-CG 4.14Å; R453-V455 HydrophobicContact CG-CG2 4Å; R453-V455 PolarHBondContact O-N 2.93Å; R453-V455 VanDerWaalsContact O-N 3.07Å
454	L	47.3	Very low	46.5	Very low	87 Å²	87	107.9 Å²	107.9	46%	0.455	57%	0.568	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-63.3	108.6	163.7	-69.6	163.8	0	0	0	107.5	V439 L441 P452 F456	V439-L454 HydrophobicContact CG1-CD2 3.58Å; L441-L454 HydrophobicContact CD1-CD2 3.84Å; P452-L454 PolarHBondContact O-N 3.4Å; L454-F456 HydrophobicContact CB-CE1 4.04Å; L454-F456 HydrophobicContact CB-CE2 4.21Å; L454-F456 HydrophobicContact CB-CZ 3.82Å; L454-F456 HydrophobicContact CD1-CZ 4.11Å
455	V	44.4	Very low	46.6	Very low	31 Å²	31	101.5 Å²	101.5	19%	0.188	54%	0.544	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	93.1	173.8	170.2	0	0	0	0	107.1	K440 D442 R453 K457	K440-V455 PolarHBondContact O-N 3.28Å; K440-V455 VanDerWaalsContact O-N 3.09Å; D442-V455 HydrophobicContact CB-CB 4.15Å; D442-V455 HydrophobicContact CB-CG2 3.68Å; D442-V455 WeakPolarHBondContact OD2-CG2 3.32Å; R453-V455 HydrophobicContact CG-CG2 4Å; R453-V455 PolarHBondContact O-N 2.93Å; R453-V455 VanDerWaalsContact O-N 3.07Å; V455-K457 HydrophobicContact CG1-CG 4.2Å; V455-K457 PolarHBondContact O-N 3.4Å; V455-K457 VanDerWaalsContact O-N 3.1Å
456	F	48.6	Very low	46.5	Very low	116 Å²	116	100 Å²	100	51%	0.509	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	106	171	-56	-57.6	0	0	0	108.7	M437 L454	M437-F456 HydrophobicContact CE-CD1 3.36Å; M437-F456 HydrophobicContact CE-CE1 3.57Å; M437-F456 HydrophobicContact CE-CG 4.28Å; M437-F456 HydrophobicContact CG-CB 4.37Å; M437-F456 HydrophobicContact CG-CD1 4.22Å; M437-F456 HydrophobicContact SD-CB 3.69Å; M437-F456 HydrophobicContact SD-CD1 3.32Å; M437-F456 WeakPolarHBondContact SD-CD1 3.19Å; M437-F456 HydrophobicContact SD-CE1 4.14Å; M437-F456 HydrophobicContact SD-CG 3.72Å; L454-F456 HydrophobicContact CB-CE1 4.04Å; L454-F456 HydrophobicContact CB-CE2 4.21Å; L454-F456 HydrophobicContact CB-CZ 3.82Å; L454-F456 HydrophobicContact CD1-CZ 4.11Å
457	K	45.9	Very low	46.8	Very low	122 Å²	122	96.2 Å²	96.2	53%	0.53	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	111.2	164.1	-77.5	179.2	178.7	176.1	0	107.2	D438 V455 K459	D438-K457 PolarHBondContact N-O 3.33Å; V455-K457 HydrophobicContact CG1-CG 4.2Å; V455-K457 PolarHBondContact O-N 3.4Å; V455-K457 VanDerWaalsContact O-N 3.1Å; K457-K459 PolarHBondContact O-N 2.76Å
458	D	50.8	Low	47.6	Very low	87 Å²	87	97 Å²	97	47%	0.465	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.8	138.5	164.8	-63.6	-32.1	0	0	0	108.3	S460	D458-S460 PolarHBondContact O-N 3.3Å
459	K	48.1	Very low	48.4	Very low	86 Å²	86	98.1 Å²	98.1	37%	0.374	52%	0.521	S	S	.	.			trans	-66	100.5	171	-82.4	-176.4	-178.9	168.1	0	108.6	L387 D438 K457 T461	L387-K459 HydrophobicContact CD1-CB 4.07Å; L387-K459 HydrophobicContact CD1-CD 4.37Å; D438-K459 WeakPolarHBondContact OD1-CE 2.92Å; D438-K459 IonicContact OD1-NZ 2.92Å; D438-K459 PolarHBondContact OD1-NZ 3.43Å; D438-K459 VanDerWaalsContact OD2-CE 3.26Å; D438-K459 WeakPolarHBondContact OD2-CE 3.14Å; K457-K459 PolarHBondContact O-N 2.76Å; K459-T461 PolarHBondContact O-N 3.09Å
460	S	46.3	Very low	48.9	Very low	111 Å²	111	99.6 Å²	99.6	78%	0.776	51%	0.511	S	S	*	.	S	Bend	trans	-76.3	84.1	-166.6	59.3	0	0	0	0	112.6	D458	D458-S460 PolarHBondContact O-N 3.3Å
461	T	37.2	Very low	49.4	Very low	102 Å²	102	93.7 Å²	93.7	63%	0.626	48%	0.481	S	S	*	.			trans	-113.8	25.7	147.7	-40.7	0	0	0	0	109.9	K459 V463	K459-T461 PolarHBondContact O-N 3.09Å; T461-V463 PolarHBondContact O-N 2.9Å
462	Y	42.1	Very low	50.6	Low	100 Å²	100	91.2 Å²	91.2	39%	0.392	47%	0.469	S	S	.	.			trans	-89.6	74.2	176.7	-108.1	-84.8	0	0	0	110.4	L390	L390-Y462 PolarHBondContact O-OH 2.62Å
463	V	42.8	Very low	51.6	Low	121 Å²	121	92.3 Å²	92.3	73%	0.733	47%	0.471	S	S	*	.			trans	-91.9	110.1	170	-173	0	0	0	0	108.7	T461 S465	T461-V463 PolarHBondContact O-N 2.9Å; V463-S465 PolarHBondContact O-N 3.47Å
464	E	45.3	Very low	52.8	Low	194 Å²	194	86.5 Å²	86.5	91%	0.907	45%	0.45	S	S	*	.			trans	22	58.8	159.6	-59.4	-172.7	132.6	0	0	118.7
465	S	50.7	Low	53.8	Low	46 Å²	46	85.6 Å²	85.6	32%	0.322	44%	0.442	S	S	.	.			trans	-79.4	137.3	167.7	67.9	0	0	0	0	111.2	V463 T467 K468	V463-S465 PolarHBondContact O-N 3.47Å; S465-T467 PolarHBondContact O-N 3.47Å; S465-K468 PolarHBondContact O-N 3.34Å
466	S	49.8	Very low	55.3	Low	72 Å²	72	93.9 Å²	93.9	50%	0.503	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-24.7	178.9	50	0	0	0	0	113.5	K468 I469 Y470	S466-K468 VanDerWaalsContact C-N 3.27Å; S466-K468 PolarHBondContact O-N 3.36Å; S466-I469 PolarHBondContact O-N 3.1Å; S466-Y470 VanDerWaalsContact O-CD2 3.31Å; S466-Y470 WeakPolarHBondContact O-CD2 3.47Å
467	T	52.2	Low	56.7	Low	56 Å²	56	95.4 Å²	95.4	34%	0.344	47%	0.474	S	S	.	.	H	α-helix	trans	-52	-39.3	173.3	-44.8	0	0	0	0	113.1	S465 I469 Y470 D471	S465-T467 PolarHBondContact O-N 3.47Å; T467-I469 VanDerWaalsContact C-N 3.32Å; T467-I469 PolarHBondContact O-N 3.25Å; T467-Y470 PolarHBondContact O-N 3.17Å; T467-D471 PolarHBondContact O-N 3.34Å
468	K	59.8	Low	58	Low	119 Å²	119	90.5 Å²	90.5	52%	0.517	45%	0.453	S	S	.	.	H	α-helix	trans	-63.6	-36.4	-176.8	-174.5	177.8	178.9	-179.9	0	112.9	S465 S466 Y470 D471 D472	S465-K468 PolarHBondContact O-N 3.34Å; S466-K468 VanDerWaalsContact C-N 3.27Å; S466-K468 PolarHBondContact O-N 3.36Å; K468-Y470 VanDerWaalsContact C-N 3.33Å; K468-D471 PolarHBondContact O-N 3.08Å; K468-D472 WeakPolarHBondContact O-CB 3.27Å; K468-D472 PolarHBondContact O-N 3.09Å
469	I	64.3	Low	59.3	Low	115 Å²	115	87.8 Å²	87.8	59%	0.59	44%	0.441	S	S	*	.	H	α-helix	trans	-67.4	-37.8	179.3	-60.4	171.7	0	0	0	110.3	S466 T467 M473	S466-I469 PolarHBondContact O-N 3.1Å; T467-I469 VanDerWaalsContact C-N 3.32Å; T467-I469 PolarHBondContact O-N 3.25Å; I469-M473 VanDerWaalsContact O-CB 3.24Å; I469-M473 WeakPolarHBondContact O-CB 3.35Å; I469-M473 PolarHBondContact O-N 3.25Å; I469-M473 VanDerWaalsContact O-N 3.11Å
470	Y	62.5	Low	60.9	Low	83 Å²	83	93.4 Å²	93.4	33%	0.325	46%	0.46	S	S	.	.	H	α-helix	trans	-73.5	-34	175.2	-63.7	-61.8	0	0	0	112.6	S466 T467 K468 M473 A474 K531 M532	S466-Y470 VanDerWaalsContact O-CD2 3.31Å; S466-Y470 WeakPolarHBondContact O-CD2 3.47Å; T467-Y470 PolarHBondContact O-N 3.17Å; K468-Y470 VanDerWaalsContact C-N 3.33Å; Y470-M473 PolarHBondContact O-N 2.77Å; Y470-A474 VanDerWaalsContact O-CB 3.26Å; Y470-A474 WeakPolarHBondContact O-CB 3.38Å; Y470-A474 PolarHBondContact O-N 3.01Å; Y470-K531 HydrophobicContact CD1-CB 4.3Å; Y470-K531 HydrophobicContact CD1-CG 4.44Å; Y470-K531 HydrophobicContact CE1-CB 4.49Å; Y470-M532 HydrophobicContact CD2-SD 4.34Å; Y470-M532 HydrophobicContact CE2-SD 4.36Å
471	D	63.9	Low	62.5	Low	26 Å²	26	92.9 Å²	92.9	14%	0.139	45%	0.448	C	S	.	.	H	α-helix	trans	-66.1	-51.9	174.3	-165.1	42.1	0	0	0	111.5	T467 K468 M473 A474 F475 I528	T467-D471 PolarHBondContact O-N 3.34Å; K468-D471 PolarHBondContact O-N 3.08Å; D471-M473 VanDerWaalsContact C-N 3.25Å; D471-M473 PolarHBondContact O-N 3.48Å; D471-A474 PolarHBondContact O-N 3.1Å; D471-A474 VanDerWaalsContact O-N 3.15Å; D471-F475 WeakPolarHBondContact O-CD2 3.23Å; D471-F475 PolarHBondContact O-N 3.22Å; D471-F475 WeakPolarHBondContact OD1-CD2 3.37Å; D471-F475 VanDerWaalsContact OD1-CE2 3.24Å; D471-F475 WeakPolarHBondContact OD1-CE2 3.16Å; D471-I528 HydrophobicContact CB-CD1 4.48Å
472	D	68.1	Low	64.6	Low	67 Å²	67	89.7 Å²	89.7	36%	0.358	43%	0.427	S	S	.	.	H	α-helix	trans	-58.3	-36.6	174.9	-81.4	-38.2	0	0	0	111.9	R393 K468 R476	R393-D472 IonicContact CZ-OD1 2.76Å; R393-D472 VanDerWaalsContact CZ-OD1 3.3Å; R393-D472 IonicContact NH1-OD1 3.3Å; R393-D472 PolarHBondContact NH1-OD1 3.05Å; R393-D472 IonicContact NH2-OD1 2.71Å; R393-D472 PolarHBondContact NH2-OD1 2.96Å; K468-D472 WeakPolarHBondContact O-CB 3.27Å; K468-D472 PolarHBondContact O-N 3.09Å; D472-R476 WeakPolarHBondContact O-CB 3.27Å; D472-R476 PolarHBondContact O-N 3.34Å; D472-R476 VanDerWaalsContact O-N 3.1Å
473	M	70.1	Confident	66.6	Low	70 Å²	70	92.6 Å²	92.6	35%	0.345	44%	0.438	S	S	.	.	H	α-helix	trans	-69.7	-44.2	175.3	-173.1	-178.9	-58.6	0	0	112.3	I469 Y470 D471 R476 Y477	I469-M473 VanDerWaalsContact O-CB 3.24Å; I469-M473 WeakPolarHBondContact O-CB 3.35Å; I469-M473 PolarHBondContact O-N 3.25Å; I469-M473 VanDerWaalsContact O-N 3.11Å; Y470-M473 PolarHBondContact O-N 2.77Å; D471-M473 VanDerWaalsContact C-N 3.25Å; D471-M473 PolarHBondContact O-N 3.48Å; M473-R476 PolarHBondContact O-N 2.99Å; M473-Y477 HydrophobicContact CG-CD2 3.93Å; M473-Y477 HydrophobicContact CG-CE2 3.63Å; M473-Y477 WeakPolarHBondContact O-CD2 3.46Å; M473-Y477 PolarHBondContact O-N 2.93Å; M473-Y477 HydrophobicContact SD-CE2 4.27Å
474	A	67.7	Low	68.7	Low	6 Å²	6	90.1 Å²	90.1	5%	0.05	43%	0.425	C	S	.	.	H	α-helix	trans	-60.8	-53.2	177.2	0	0	0	0	0	110.5	Y470 D471 R476 Y477 L478 P524 F527	Y470-A474 VanDerWaalsContact O-CB 3.26Å; Y470-A474 WeakPolarHBondContact O-CB 3.38Å; Y470-A474 PolarHBondContact O-N 3.01Å; D471-A474 PolarHBondContact O-N 3.1Å; D471-A474 VanDerWaalsContact O-N 3.15Å; A474-R476 VanDerWaalsContact C-N 3.28Å; A474-R476 PolarHBondContact O-N 3.13Å; A474-Y477 PolarHBondContact O-N 2.93Å; A474-L478 WeakPolarHBondContact O-CB 3.13Å; A474-L478 PolarHBondContact O-N 3.36Å; A474-P524 HydrophobicContact CB-CB 4.2Å; A474-F527 HydrophobicContact CB-CD1 3.66Å; A474-F527 HydrophobicContact CB-CE1 4.08Å; A474-F527 HydrophobicContact CB-CG 4.37Å
475	F	68.4	Low	70.6	Confident	67 Å²	67	83.3 Å²	83.3	29%	0.294	39%	0.394	S	S	.	.	H	α-helix	trans	-56.8	-39	177	-89.2	-77.6	0	0	0	112.3	D471 L478 S479 P524	D471-F475 WeakPolarHBondContact O-CD2 3.23Å; D471-F475 PolarHBondContact O-N 3.22Å; D471-F475 WeakPolarHBondContact OD1-CD2 3.37Å; D471-F475 VanDerWaalsContact OD1-CE2 3.24Å; D471-F475 WeakPolarHBondContact OD1-CE2 3.16Å; F475-L478 PolarHBondContact O-N 2.96Å; F475-S479 VanDerWaalsContact O-CB 3.27Å; F475-S479 WeakPolarHBondContact O-CB 3.31Å; F475-S479 PolarHBondContact O-N 3.11Å; F475-S479 PolarHBondContact O-OG 3.15Å; F475-P524 HydrophobicContact CE2-CG 4.34Å; F475-P524 HydrophobicContact CZ-CG 4.34Å
476	R	76.6	Confident	72.3	Confident	206 Å²	206	84.3 Å²	84.3	78%	0.777	39%	0.393	S	S	*	.	H	α-helix	trans	-65	-45.1	178.5	-171.2	174.7	-174.4	171.8	2.3	113.4	D472 M473 A474 W480	D472-R476 WeakPolarHBondContact O-CB 3.27Å; D472-R476 PolarHBondContact O-N 3.34Å; D472-R476 VanDerWaalsContact O-N 3.1Å; M473-R476 PolarHBondContact O-N 2.99Å; A474-R476 VanDerWaalsContact C-N 3.28Å; A474-R476 PolarHBondContact O-N 3.13Å; R476-W480 PolarHBondContact O-N 2.7Å
477	Y	78.1	Confident	74	Confident	147 Å²	147	82.5 Å²	82.5	58%	0.576	39%	0.386	S	S	*	.	H	α-helix	trans	-68.6	-40.5	176	-75	-62.7	0	0	0	111.8	M473 A474 W480 L481	M473-Y477 HydrophobicContact CG-CD2 3.93Å; M473-Y477 HydrophobicContact CG-CE2 3.63Å; M473-Y477 WeakPolarHBondContact O-CD2 3.46Å; M473-Y477 PolarHBondContact O-N 2.93Å; M473-Y477 HydrophobicContact SD-CE2 4.27Å; A474-Y477 PolarHBondContact O-N 2.93Å; Y477-W480 PolarHBondContact O-N 3.26Å; Y477-L481 PolarHBondContact O-N 3Å
478	L	73.6	Confident	75.8	Confident	20 Å²	20	84.1 Å²	84.1	11%	0.105	40%	0.398	C	S	.	.	H	α-helix	trans	-62.6	-44.4	178.4	-168.9	63.9	0	0	0	111.6	A474 F475 W480 L481 L482 I520 T523 P524	A474-L478 WeakPolarHBondContact O-CB 3.13Å; A474-L478 PolarHBondContact O-N 3.36Å; F475-L478 PolarHBondContact O-N 2.96Å; L478-W480 VanDerWaalsContact C-N 3.29Å; L478-W480 PolarHBondContact O-N 2.79Å; L478-L481 PolarHBondContact O-N 3.17Å; L478-L481 VanDerWaalsContact O-N 3.14Å; L478-L482 VanDerWaalsContact O-CB 3.25Å; L478-L482 WeakPolarHBondContact O-CB 3.47Å; L478-L482 PolarHBondContact O-N 3.34Å; L478-I520 HydrophobicContact CD1-CB 4.27Å; L478-I520 HydrophobicContact CD1-CG2 3.44Å; L478-I520 VanDerWaalsContact CD1-CG2 3.44Å; L478-I520 HydrophobicContact CD2-CG2 3.86Å; L478-I520 WeakPolarHBondContact CD2-O 3.31Å; L478-I520 HydrophobicContact CG-CG2 3.54Å; L478-T523 HydrophobicContact CD1-CG2 4.11Å; L478-P524 HydrophobicContact CD2-CG 3.58Å
479	S	76.9	Confident	77	Confident	30 Å²	30	80.1 Å²	80.1	21%	0.21	38%	0.38	C	S	.	.	H	α-helix	trans	-58.6	-36.8	174.1	-72.5	0	0	0	0	113	F475 L481 L482 Y483	F475-S479 VanDerWaalsContact O-CB 3.27Å; F475-S479 WeakPolarHBondContact O-CB 3.31Å; F475-S479 PolarHBondContact O-N 3.11Å; F475-S479 PolarHBondContact O-OG 3.15Å; S479-L481 VanDerWaalsContact C-N 3.27Å; S479-L481 PolarHBondContact O-N 2.83Å; S479-L482 PolarHBondContact O-N 2.96Å; S479-Y483 WeakPolarHBondContact O-CD2 3.37Å; S479-Y483 PolarHBondContact O-N 3.05Å
480	W	82.3	Confident	78.1	Confident	203 Å²	203	75.4 Å²	75.4	77%	0.769	36%	0.358	S	S	*	.	H	α-helix	trans	-67.6	-28.5	178.4	-169.9	23.5	0	0	0	112.6	R476 Y477 L478 P484	R476-W480 PolarHBondContact O-N 2.7Å; Y477-W480 PolarHBondContact O-N 3.26Å; L478-W480 VanDerWaalsContact C-N 3.29Å; L478-W480 PolarHBondContact O-N 2.79Å; W480-P484 WeakPolarHBondContact O-CD 3.36Å; W480-P484 VanDerWaalsContact O-CG 3.24Å; W480-P484 WeakPolarHBondContact O-CG 3.46Å
481	L	80.7	Confident	79.3	Confident	100 Å²	100	75.5 Å²	75.5	52%	0.524	37%	0.367	S	S	.	.	H	α-helix	trans	-83.2	-39.1	170.9	-177.3	63.3	0	0	0	112.1	Y477 L478 S479 P484 L485	Y477-L481 PolarHBondContact O-N 3Å; L478-L481 PolarHBondContact O-N 3.17Å; L478-L481 VanDerWaalsContact O-N 3.14Å; S479-L481 VanDerWaalsContact C-N 3.27Å; S479-L481 PolarHBondContact O-N 2.83Å; L481-P484 WeakPolarHBondContact O-CD 3.4Å; L481-L485 HydrophobicContact CD1-CD1 4.04Å; L481-L485 HydrophobicContact CG-CD1 3.83Å; L481-L485 WeakPolarHBondContact O-CD1 3.36Å; L481-L485 VanDerWaalsContact O-CG 3.29Å; L481-L485 WeakPolarHBondContact O-CG 3.45Å; L481-L485 PolarHBondContact O-N 3.47Å
482	L	80.5	Confident	80.4	Confident	35 Å²	35	80.1 Å²	80.1	18%	0.183	38%	0.384	C	S	.	.	H	α-helix	trans	-67.8	-46.2	-173.7	-173	68.3	0	0	0	113	L478 S479 L485 F486 F513 I520	L478-L482 VanDerWaalsContact O-CB 3.25Å; L478-L482 WeakPolarHBondContact O-CB 3.47Å; L478-L482 PolarHBondContact O-N 3.34Å; S479-L482 PolarHBondContact O-N 2.96Å; L482-L485 PolarHBondContact O-N 2.97Å; L482-F486 WeakPolarHBondContact O-CB 3.43Å; L482-F486 PolarHBondContact O-N 3.38Å; L482-F513 HydrophobicContact CD1-CE1 3.88Å; L482-F513 HydrophobicContact CD1-CZ 3.44Å; L482-F513 VanDerWaalsContact CD1-CZ 3.44Å; L482-F513 HydrophobicContact CG-CZ 4.12Å; L482-I520 HydrophobicContact CD1-CB 4.32Å; L482-I520 HydrophobicContact CD1-CD1 3.48Å; L482-I520 VanDerWaalsContact CD1-CD1 3.48Å; L482-I520 HydrophobicContact CD1-CG1 4.46Å; L482-I520 HydrophobicContact CD1-CG2 3.7Å; L482-I520 HydrophobicContact CD2-CG2 4.4Å; L482-I520 HydrophobicContact CG-CG2 4.48Å
483	Y	84.5	Confident	81.1	Confident	161 Å²	161	77 Å²	77	63%	0.631	37%	0.367	S	S	*	.	H	α-helix	trans	-66.1	-41.1	-175.8	-62.8	-47.7	0	0	0	113.6	S479 F486 G487	S479-Y483 WeakPolarHBondContact O-CD2 3.37Å; S479-Y483 PolarHBondContact O-N 3.05Å; Y483-F486 PolarHBondContact O-N 3.23Å; Y483-G487 PolarHBondContact O-N 3.35Å
484	P	87.5	Confident	81.8	Confident	70 Å²	70	75.2 Å²	75.2	46%	0.455	36%	0.359	S	S	.	.	H	α-helix	trans	-62.4	-43.4	170.8	-25.5	36	0	0	0	113.2	W480 L481 F486 G487 C488	W480-P484 WeakPolarHBondContact O-CD 3.36Å; W480-P484 VanDerWaalsContact O-CG 3.24Å; W480-P484 WeakPolarHBondContact O-CG 3.46Å; L481-P484 WeakPolarHBondContact O-CD 3.4Å; P484-F486 VanDerWaalsContact C-N 3.33Å; P484-F486 PolarHBondContact O-N 2.99Å; P484-G487 PolarHBondContact O-N 2.89Å; P484-C488 PolarHBondContact O-N 3.26Å; P484-C488 PolarHBondContact O-SG 3.13Å; P484-C488 VanDerWaalsContact O-SG 3.32Å
485	L	84.1	Confident	82.5	Confident	50 Å²	50	78.8 Å²	78.8	26%	0.262	38%	0.377	S	S	.	.	H	α-helix	trans	-61.9	-41.3	177.2	-72.3	171.2	0	0	0	111.8	L481 L482 C488 Y489 F513 F517 I520	L481-L485 HydrophobicContact CD1-CD1 4.04Å; L481-L485 HydrophobicContact CG-CD1 3.83Å; L481-L485 WeakPolarHBondContact O-CD1 3.36Å; L481-L485 VanDerWaalsContact O-CG 3.29Å; L481-L485 WeakPolarHBondContact O-CG 3.45Å; L481-L485 PolarHBondContact O-N 3.47Å; L482-L485 PolarHBondContact O-N 2.97Å; L485-C488 PolarHBondContact O-N 2.82Å; L485-Y489 WeakPolarHBondContact O-CB 3.04Å; L485-Y489 PolarHBondContact O-N 3.24Å; L485-F513 HydrophobicContact CB-CE2 4.48Å; L485-F517 HydrophobicContact CB-CE1 4.18Å; L485-F517 HydrophobicContact CB-CZ 4.23Å; L485-F517 HydrophobicContact CD1-CD1 4.1Å; L485-F517 HydrophobicContact CD1-CE1 3.81Å; L485-F517 HydrophobicContact CD2-CE1 4.01Å; L485-F517 HydrophobicContact CD2-CZ 4.2Å; L485-F517 HydrophobicContact CG-CE1 4.23Å; L485-I520 HydrophobicContact CD1-CD1 4.24Å
486	F	86.3	Confident	82.9	Confident	67 Å²	67	83.7 Å²	83.7	29%	0.294	40%	0.395	S	S	.	.	H	α-helix	trans	-59.6	-47.4	173.8	-177.1	-108.3	0	0	0	111.9	L482 Y483 P484 Y489 A490 M509 L510 F513	L482-F486 WeakPolarHBondContact O-CB 3.43Å; L482-F486 PolarHBondContact O-N 3.38Å; Y483-F486 PolarHBondContact O-N 3.23Å; P484-F486 VanDerWaalsContact C-N 3.33Å; P484-F486 PolarHBondContact O-N 2.99Å; F486-Y489 PolarHBondContact O-N 3.26Å; F486-A490 WeakPolarHBondContact O-CB 3.32Å; F486-A490 PolarHBondContact O-N 3.05Å; F486-M509 HydrophobicContact CD2-SD 4.32Å; F486-M509 HydrophobicContact CE2-CE 4.25Å; F486-M509 HydrophobicContact CE2-SD 3.41Å; F486-M509 WeakPolarHBondContact CE2-SD 3.38Å; F486-M509 HydrophobicContact CZ-CE 3.84Å; F486-M509 HydrophobicContact CZ-SD 3.58Å; F486-M509 VanDerWaalsContact CZ-SD 3.58Å; F486-L510 HydrophobicContact CE2-CD2 3.93Å; F486-L510 HydrophobicContact CZ-CD2 4.02Å; F486-F513 HydrophobicContact CB-CD2 4.41Å; F486-F513 HydrophobicContact CB-CE1 4.31Å; F486-F513 HydrophobicContact CB-CE2 3.73Å; F486-F513 HydrophobicContact CB-CZ 3.63Å; F486-F513 HydrophobicContact CD2-CB 4.46Å; F486-F513 AromaticContact CD2-CD1 3.64Å; F486-F513 HydrophobicContact CD2-CD1 3.64Å; F486-F513 AromaticContact CD2-CD2 3.85Å; F486-F513 HydrophobicContact CD2-CD2 3.85Å; F486-F513 AromaticContact CD2-CE1 3.67Å; F486-F513 HydrophobicContact CD2-CE1 3.67Å; F486-F513 AromaticContact CD2-CE2 3.91Å; F486-F513 HydrophobicContact CD2-CE2 3.91Å; F486-F513 AromaticContact CD2-CG 3.71Å; F486-F513 HydrophobicContact CD2-CG 3.71Å; F486-F513 AromaticContact CD2-CZ 3.78Å; F486-F513 HydrophobicContact CD2-CZ 3.78Å; F486-F513 HydrophobicContact CE2-CD1 4.16Å; F486-F513 HydrophobicContact CE2-CG 4.27Å; F486-F513 HydrophobicContact CG-CE1 4.41Å; F486-F513 HydrophobicContact CG-CE2 4.34Å; F486-F513 HydrophobicContact CG-CZ 4.19Å
487	G	86.9	Confident	82.8	Confident	34 Å²	34	76.5 Å²	76.5	35%	0.351	37%	0.373	S	S	.	.	H	α-helix	trans	-59.9	-47	175.8	0	0	0	0	0	112.8	Y483 P484 Y489 A490 V491	Y483-G487 PolarHBondContact O-N 3.35Å; P484-G487 PolarHBondContact O-N 2.89Å; G487-Y489 PolarHBondContact O-N 2.61Å; G487-A490 PolarHBondContact O-N 2.93Å; G487-V491 WeakPolarHBondContact O-CG2 3.44Å; G487-V491 PolarHBondContact O-N 3.38Å
488	C	88.2	Confident	82.7	Confident	90 Å²	90	72.5 Å²	72.5	61%	0.608	36%	0.36	S	S	*	.	H	α-helix	trans	-61.1	-43.9	176.9	-69.4	0	0	0	0	112.3	P484 L485 V491 Y492	P484-C488 PolarHBondContact O-N 3.26Å; P484-C488 PolarHBondContact O-SG 3.13Å; P484-C488 VanDerWaalsContact O-SG 3.32Å; L485-C488 PolarHBondContact O-N 2.82Å; C488-V491 PolarHBondContact O-N 3.09Å; C488-Y492 WeakPolarHBondContact O-CB 3.42Å; C488-Y492 PolarHBondContact O-N 3.18Å
489	Y	85.8	Confident	83	Confident	35 Å²	35	71.8 Å²	71.8	14%	0.137	36%	0.356	C	S	.	.	H	α-helix	trans	-67.3	-39.8	178.2	-171.9	-97.1	0	0	0	112.2	L485 F486 G487 V491 Y492 S493 M509 G512 F513 F517	L485-Y489 WeakPolarHBondContact O-CB 3.04Å; L485-Y489 PolarHBondContact O-N 3.24Å; F486-Y489 PolarHBondContact O-N 3.26Å; G487-Y489 PolarHBondContact O-N 2.61Å; Y489-V491 PolarHBondContact O-N 3.15Å; Y489-Y492 PolarHBondContact O-N 2.87Å; Y489-S493 VanDerWaalsContact O-CB 3.26Å; Y489-S493 WeakPolarHBondContact O-CB 3.33Å; Y489-S493 PolarHBondContact O-N 3.32Å; Y489-M509 HydrophobicContact CD1-CG 4.3Å; Y489-M509 WeakPolarHBondContact CE1-O 3.16Å; Y489-G512 WeakPolarHBondContact OH-CA 3.35Å; Y489-F513 HydrophobicContact CD1-CB 3.78Å; Y489-F513 HydrophobicContact CD1-CD2 4.24Å; Y489-F513 HydrophobicContact CE1-CB 4.03Å; Y489-F513 HydrophobicContact CG-CD2 4.25Å; Y489-F517 HydrophobicContact CD2-CE2 4.3Å; Y489-F517 HydrophobicContact CG-CE2 4.45Å
490	A	87.3	Confident	82.7	Confident	16 Å²	16	73.9 Å²	73.9	13%	0.132	36%	0.361	C	S	.	.	H	α-helix	trans	-63.1	-41.5	176.2	0	0	0	0	0	112.3	F486 G487 L494 W505 M509	F486-A490 WeakPolarHBondContact O-CB 3.32Å; F486-A490 PolarHBondContact O-N 3.05Å; G487-A490 PolarHBondContact O-N 2.93Å; A490-L494 WeakPolarHBondContact O-CB 3.24Å; A490-L494 PolarHBondContact O-N 3.05Å; A490-W505 HydrophobicContact CB-CZ2 4.44Å; A490-M509 HydrophobicContact CB-CG 3.85Å; A490-M509 HydrophobicContact CB-SD 3.95Å
491	V	88.2	Confident	82.7	Confident	85 Å²	85	65.2 Å²	65.2	52%	0.515	34%	0.335	S	S	.	.	H	α-helix	trans	-65.9	-44.1	174.4	171.2	0	0	0	0	111.3	G487 C488 Y489 L494 L495	G487-V491 WeakPolarHBondContact O-CG2 3.44Å; G487-V491 PolarHBondContact O-N 3.38Å; C488-V491 PolarHBondContact O-N 3.09Å; Y489-V491 PolarHBondContact O-N 3.15Å; V491-L494 PolarHBondContact O-N 3.17Å; V491-L495 HydrophobicContact CG1-CD1 3.68Å; V491-L495 HydrophobicContact CG1-CG 4.47Å; V491-L495 WeakPolarHBondContact O-CB 3.27Å; V491-L495 WeakPolarHBondContact O-CG 3.31Å; V491-L495 PolarHBondContact O-N 3.3Å
492	Y	86.8	Confident	82.8	Confident	124 Å²	124	67.7 Å²	67.7	49%	0.486	34%	0.337	S	S	.	.	H	α-helix	trans	-59.7	-49	175.6	172.3	-99	0	0	0	112.1	C488 Y489 L494 L495 Y496	C488-Y492 WeakPolarHBondContact O-CB 3.42Å; C488-Y492 PolarHBondContact O-N 3.18Å; Y489-Y492 PolarHBondContact O-N 2.87Å; Y492-L494 VanDerWaalsContact C-N 3.28Å; Y492-L494 PolarHBondContact O-N 2.94Å; Y492-L495 PolarHBondContact O-N 3.31Å; Y492-Y496 AromaticContact CD2-CD2 3.46Å; Y492-Y496 HydrophobicContact CD2-CD2 3.46Å; Y492-Y496 VanDerWaalsContact CD2-CD2 3.46Å; Y492-Y496 HydrophobicContact CD2-CE2 4.08Å; Y492-Y496 HydrophobicContact CD2-CG 4.21Å; Y492-Y496 AromaticContact CE2-CD2 3.66Å; Y492-Y496 HydrophobicContact CE2-CD2 3.66Å; Y492-Y496 HydrophobicContact CE2-CE2 4.38Å; Y492-Y496 AromaticContact CE2-CG 3.98Å; Y492-Y496 HydrophobicContact CE2-CG 3.98Å; Y492-Y496 HydrophobicContact CG-CD2 4.35Å; Y492-Y496 PolarHBondContact O-N 3.46Å
493	S	83.2	Confident	82.9	Confident	2 Å²	2	72.5 Å²	72.5	1%	0.014	35%	0.354	C	S	.	.	H	α-helix	trans	-61.8	-33.2	178.3	179	0	0	0	0	112.8	Y489 V497 H499	Y489-S493 VanDerWaalsContact O-CB 3.26Å; Y489-S493 WeakPolarHBondContact O-CB 3.33Å; Y489-S493 PolarHBondContact O-N 3.32Å; S493-V497 WeakPolarHBondContact O-CB 3.2Å; S493-H499 PolarHBondContact O-NE2 3.28Å
494	L	84.1	Confident	82.8	Confident	32 Å²	32	65.3 Å²	65.3	17%	0.168	33%	0.328	C	S	.	.	H	α-helix	trans	-76.2	-32.5	176.6	-171.9	65.5	0	0	0	113.2	L210 L211 A490 V491 Y492 W502 W505	L210-L494 HydrophobicContact CB-CD1 4.09Å; L210-L494 HydrophobicContact CD1-CD1 4.04Å; L211-L494 HydrophobicContact CD1-CD2 4.19Å; L211-L494 HydrophobicContact CD1-CG 3.87Å; L211-L494 HydrophobicContact CD2-CD2 4.38Å; L211-L494 HydrophobicContact CG-CD2 4.44Å; L211-L494 HydrophobicContact CG-CG 4.12Å; A490-L494 WeakPolarHBondContact O-CB 3.24Å; A490-L494 PolarHBondContact O-N 3.05Å; V491-L494 PolarHBondContact O-N 3.17Å; Y492-L494 VanDerWaalsContact C-N 3.28Å; Y492-L494 PolarHBondContact O-N 2.94Å; L494-W502 HydrophobicContact CD1-CH2 4.06Å; L494-W502 HydrophobicContact CD1-CZ3 3.79Å; L494-W505 HydrophobicContact CB-CZ2 4.01Å; L494-W505 HydrophobicContact CD1-CD2 4.02Å; L494-W505 HydrophobicContact CD1-CG 4.29Å; L494-W505 HydrophobicContact CD1-CZ2 4.16Å; L494-W505 HydrophobicContact CD2-CZ2 4.39Å; L494-W505 HydrophobicContact CG-CZ2 4.41Å
495	L	82.1	Confident	82.8	Confident	81 Å²	81	63.8 Å²	63.8	42%	0.424	31%	0.313	S	S	.	.	H	α-helix	trans	-83.9	-43.3	-177.4	-75.4	167.2	0	0	0	113.4	N209 L211 V491 Y492	N209-L495 PolarHBondContact ND2-O 3.32Å; L211-L495 HydrophobicContact CD1-CD2 3.56Å; L211-L495 HydrophobicContact CD1-CG 4.18Å; V491-L495 HydrophobicContact CG1-CD1 3.68Å; V491-L495 HydrophobicContact CG1-CG 4.47Å; V491-L495 WeakPolarHBondContact O-CB 3.27Å; V491-L495 WeakPolarHBondContact O-CG 3.31Å; V491-L495 PolarHBondContact O-N 3.3Å; Y492-L495 PolarHBondContact O-N 3.31Å
496	Y	77.3	Confident	82.9	Confident	170 Å²	170	64.1 Å²	64.1	67%	0.667	32%	0.317	S	S	*	.	H	α-helix	trans	-111.3	-10.6	-164.9	-68.6	-77.9	0	0	0	115.3	Y492	Y492-Y496 AromaticContact CD2-CD2 3.46Å; Y492-Y496 HydrophobicContact CD2-CD2 3.46Å; Y492-Y496 VanDerWaalsContact CD2-CD2 3.46Å; Y492-Y496 HydrophobicContact CD2-CE2 4.08Å; Y492-Y496 HydrophobicContact CD2-CG 4.21Å; Y492-Y496 AromaticContact CE2-CD2 3.66Å; Y492-Y496 HydrophobicContact CE2-CD2 3.66Å; Y492-Y496 HydrophobicContact CE2-CE2 4.38Å; Y492-Y496 AromaticContact CE2-CG 3.98Å; Y492-Y496 HydrophobicContact CE2-CG 3.98Å; Y492-Y496 HydrophobicContact CG-CD2 4.35Å; Y492-Y496 PolarHBondContact O-N 3.46Å
497	V	75.1	Confident	82.8	Confident	54 Å²	54	61.4 Å²	61.4	33%	0.327	31%	0.305	S	S	.	.	S	Bend	trans	-111.1	132.9	-179.8	-175	0	0	0	0	108.8	S493 H499	S493-V497 WeakPolarHBondContact O-CB 3.2Å; V497-H499 WeakPolarHBondContact CB-NE2 3.48Å; V497-H499 PolarHBondContact O-CD2 2.85Å; V497-H499 PolarHBondContact O-NE2 3.49Å; V497-H499 VanDerWaalsContact O-NE2 3.14Å
498	E	76.3	Confident	82.5	Confident	63 Å²	63	60.8 Å²	60.8	29%	0.294	30%	0.296	S	S	.	.			trans	-78.3	143.1	172.5	-60.8	-169.1	165.4	0	0	110.9	T207 T215 E216	T207-E498 VanDerWaalsContact CB-OE2 3.26Å; T207-E498 WeakPolarHBondContact CB-OE2 3.41Å; T207-E498 PolarHBondContact OG1-OE2 3.25Å; T215-E498 WeakPolarHBondContact CA-OE1 2.83Å; T215-E498 WeakPolarHBondContact CG2-OE1 3.04Å; T215-E498 WeakPolarHBondContact CG2-OE2 3.37Å; E216-E498 PolarHBondContact N-OE1 3.18Å
499	H	78.8	Confident	82.5	Confident	6 Å²	6	57 Å²	57	3%	0.028	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-132.2	154.2	-178.5	-61.4	-80.3	0	0	0	111.5	K208 L210 S493 V497 G501 W505	K208-H499 PolarHBondContact N-O 3.45Å; K208-H499 PolarHBondContact O-N 2.84Å; L210-H499 HydrophobicContact CD1-CB 4.12Å; L210-H499 HydrophobicContact CG-CB 4.24Å; S493-H499 PolarHBondContact O-NE2 3.28Å; V497-H499 WeakPolarHBondContact CB-NE2 3.48Å; V497-H499 PolarHBondContact O-CD2 2.85Å; V497-H499 PolarHBondContact O-NE2 3.49Å; V497-H499 VanDerWaalsContact O-NE2 3.14Å; H499-G501 PolarHBondContact O-N 2.99Å; H499-W505 HydrophobicContact CB-CB 4.06Å; H499-W505 AromaticContact CD2-CD1 3.66Å; H499-W505 AromaticContact CE1-CD1 3.84Å; H499-W505 WeakPolarHBondContact ND1-CA 3.29Å; H499-W505 AromaticContact NE2-CD1 3.46Å
500	K	71.8	Confident	82.4	Confident	74 Å²	74	57 Å²	57	32%	0.322	27%	0.272	S	S	.	.	S	Bend	trans	-66.1	-26.8	172.8	-59.3	179	-175.2	178.4	0	112.1	D411	D411-K500 PolarHBondContact O-NZ 3.29Å
501	G	81.5	Confident	82.2	Confident	21 Å²	21	56.9 Å²	56.9	22%	0.216	27%	0.268	C	S	.	.	S	Bend	trans	170.6	177.6	-177.9	0	0	0	0	0	112	H499 Y503 S504 W505	H499-G501 PolarHBondContact O-N 2.99Å; G501-Y503 VanDerWaalsContact C-N 3.3Å; G501-Y503 PolarHBondContact O-N 3.09Å; G501-S504 PolarHBondContact O-N 3.39Å; G501-W505 PolarHBondContact O-N 2.78Å
502	W	82	Confident	81.7	Confident	151 Å²	151	53 Å²	53	57%	0.572	24%	0.244	S	C	*	.	H	α-helix	trans	-57.6	-36.2	-177.5	-72.2	102.4	0	0	0	114.4	L210 L494 W505 V506	L210-W502 HydrophobicContact CD1-CD2 4.16Å; L210-W502 HydrophobicContact CD1-CE3 4.13Å; L210-W502 HydrophobicContact CD1-CZ3 4.48Å; L494-W502 HydrophobicContact CD1-CH2 4.06Å; L494-W502 HydrophobicContact CD1-CZ3 3.79Å; W502-W505 HydrophobicContact CE3-CD2 4.48Å; W502-W505 AromaticContact CE3-CE3 3.72Å; W502-W505 HydrophobicContact CE3-CE3 3.72Å; W502-W505 HydrophobicContact CE3-CZ3 4.06Å; W502-W505 HydrophobicContact CZ3-CE3 4.03Å; W502-W505 HydrophobicContact CZ3-CZ3 4.07Å; W502-V506 WeakPolarHBondContact O-CG2 3.18Å; W502-V506 PolarHBondContact O-N 2.82Å
503	Y	84	Confident	81.5	Confident	136 Å²	136	47.8 Å²	47.8	53%	0.533	22%	0.224	S	C	.	.	H	α-helix	trans	-63.8	-50.2	175.2	175.4	-102.6	0	0	0	111.8	D411 G501 W505 V506 L507	D411-Y503 HydrophobicContact CB-CE1 4.32Å; D411-Y503 WeakPolarHBondContact OD1-CD1 3Å; G501-Y503 VanDerWaalsContact C-N 3.3Å; G501-Y503 PolarHBondContact O-N 3.09Å; Y503-W505 VanDerWaalsContact C-N 3.31Å; Y503-W505 PolarHBondContact O-N 3.5Å; Y503-V506 PolarHBondContact O-N 3.34Å; Y503-L507 HydrophobicContact CD1-CD1 4.08Å; Y503-L507 HydrophobicContact CE1-CD1 3.45Å; Y503-L507 VanDerWaalsContact CE1-CD1 3.45Å; Y503-L507 HydrophobicContact CE1-CG 4.44Å; Y503-L507 HydrophobicContact CE2-CD1 4.16Å; Y503-L507 PolarHBondContact O-N 3.14Å
504	S	81.6	Confident	81.3	Confident	11 Å²	11	48.4 Å²	48.4	8%	0.077	23%	0.227	C	C	.	.	H	α-helix	trans	-61.4	-38.8	177.6	-163.5	0	0	0	0	111.5	D411 G501 L507 S508	D411-S504 WeakPolarHBondContact OD2-CB 3.03Å; D411-S504 PolarHBondContact OD2-OG 2.97Å; G501-S504 PolarHBondContact O-N 3.39Å; S504-L507 PolarHBondContact O-N 2.83Å; S504-S508 VanDerWaalsContact O-CB 3.28Å; S504-S508 WeakPolarHBondContact O-CB 3.3Å; S504-S508 PolarHBondContact O-N 3.37Å
505	W	86.9	Confident	80.8	Confident	38 Å²	38	48 Å²	48	14%	0.144	23%	0.225	C	C	.	.	H	α-helix	trans	-60.3	-50.3	171.9	169.5	69.4	0	0	0	112.7	L210 A490 L494 H499 G501 W502 Y503 L507 S508 M509	L210-W505 HydrophobicContact CD1-CB 3.55Å; L210-W505 HydrophobicContact CD1-CG 3.93Å; A490-W505 HydrophobicContact CB-CZ2 4.44Å; L494-W505 HydrophobicContact CB-CZ2 4.01Å; L494-W505 HydrophobicContact CD1-CD2 4.02Å; L494-W505 HydrophobicContact CD1-CG 4.29Å; L494-W505 HydrophobicContact CD1-CZ2 4.16Å; L494-W505 HydrophobicContact CD2-CZ2 4.39Å; L494-W505 HydrophobicContact CG-CZ2 4.41Å; H499-W505 HydrophobicContact CB-CB 4.06Å; H499-W505 AromaticContact CD2-CD1 3.66Å; H499-W505 AromaticContact CE1-CD1 3.84Å; H499-W505 WeakPolarHBondContact ND1-CA 3.29Å; H499-W505 AromaticContact NE2-CD1 3.46Å; G501-W505 PolarHBondContact O-N 2.78Å; W502-W505 HydrophobicContact CE3-CD2 4.48Å; W502-W505 AromaticContact CE3-CE3 3.72Å; W502-W505 HydrophobicContact CE3-CE3 3.72Å; W502-W505 HydrophobicContact CE3-CZ3 4.06Å; W502-W505 HydrophobicContact CZ3-CE3 4.03Å; W502-W505 HydrophobicContact CZ3-CZ3 4.07Å; Y503-W505 VanDerWaalsContact C-N 3.31Å; Y503-W505 PolarHBondContact O-N 3.5Å; W505-L507 VanDerWaalsContact C-N 3.29Å; W505-L507 PolarHBondContact O-N 3.06Å; W505-S508 PolarHBondContact O-N 3.15Å; W505-M509 WeakPolarHBondContact O-CB 3.39Å; W505-M509 PolarHBondContact O-N 3.37Å
506	V	86.9	Confident	80.2	Confident	57 Å²	57	46 Å²	46	35%	0.345	22%	0.217	S	C	.	.	H	α-helix	trans	-59.2	-42.5	178.8	172.7	0	0	0	0	110.9	W502 Y503 L510	W502-V506 WeakPolarHBondContact O-CG2 3.18Å; W502-V506 PolarHBondContact O-N 2.82Å; Y503-V506 PolarHBondContact O-N 3.34Å; V506-L510 HydrophobicContact CG1-CD1 3.8Å; V506-L510 HydrophobicContact CG1-CG 4.38Å; V506-L510 WeakPolarHBondContact O-CB 2.96Å; V506-L510 WeakPolarHBondContact O-CG 3.39Å; V506-L510 PolarHBondContact O-N 3.31Å
507	L	84.8	Confident	79.9	Confident	10 Å²	10	39.7 Å²	39.7	5%	0.052	19%	0.192	C	C	.	.	H	α-helix	trans	-67.6	-46.2	177.9	-68.7	-178.7	0	0	0	112.7	L407 Y408 D411 Y503 S504 W505 M509 L510 Y511	L407-L507 HydrophobicContact CB-CD1 4.06Å; L407-L507 HydrophobicContact CB-CD2 3.71Å; L407-L507 HydrophobicContact CD1-CD2 4.27Å; Y408-L507 HydrophobicContact CD2-CB 3.94Å; D411-L507 HydrophobicContact CB-CD1 3.96Å; Y503-L507 HydrophobicContact CD1-CD1 4.08Å; Y503-L507 HydrophobicContact CE1-CD1 3.45Å; Y503-L507 VanDerWaalsContact CE1-CD1 3.45Å; Y503-L507 HydrophobicContact CE1-CG 4.44Å; Y503-L507 HydrophobicContact CE2-CD1 4.16Å; Y503-L507 PolarHBondContact O-N 3.14Å; S504-L507 PolarHBondContact O-N 2.83Å; W505-L507 VanDerWaalsContact C-N 3.29Å; W505-L507 PolarHBondContact O-N 3.06Å; L507-M509 PolarHBondContact O-N 3.4Å; L507-L510 PolarHBondContact O-N 2.84Å; L507-Y511 VanDerWaalsContact O-CB 3.29Å; L507-Y511 WeakPolarHBondContact O-CB 3.36Å; L507-Y511 PolarHBondContact O-N 3.24Å
508	S	80.3	Confident	79.5	Confident	21 Å²	21	37.3 Å²	37.3	15%	0.147	18%	0.179	C	C	.	.	H	α-helix	trans	-63.6	-41.2	178.4	-170.3	0	0	0	0	112.3	Y408 S504 W505 G512	Y408-S508 PolarHBondContact OH-OG 3.41Å; S504-S508 VanDerWaalsContact O-CB 3.28Å; S504-S508 WeakPolarHBondContact O-CB 3.3Å; S504-S508 PolarHBondContact O-N 3.37Å; W505-S508 PolarHBondContact O-N 3.15Å; S508-G512 PolarHBondContact O-N 3.46Å
509	M	87.2	Confident	79	Confident	11 Å²	11	37.7 Å²	37.7	5%	0.054	18%	0.18	C	C	.	.	H	α-helix	trans	-63.7	-46	174.4	178.5	-80.8	-62.6	0	0	111.5	F486 Y489 A490 W505 L507 F513	F486-M509 HydrophobicContact CD2-SD 4.32Å; F486-M509 HydrophobicContact CE2-CE 4.25Å; F486-M509 HydrophobicContact CE2-SD 3.41Å; F486-M509 WeakPolarHBondContact CE2-SD 3.38Å; F486-M509 HydrophobicContact CZ-CE 3.84Å; F486-M509 HydrophobicContact CZ-SD 3.58Å; F486-M509 VanDerWaalsContact CZ-SD 3.58Å; Y489-M509 HydrophobicContact CD1-CG 4.3Å; Y489-M509 WeakPolarHBondContact CE1-O 3.16Å; A490-M509 HydrophobicContact CB-CG 3.85Å; A490-M509 HydrophobicContact CB-SD 3.95Å; W505-M509 WeakPolarHBondContact O-CB 3.39Å; W505-M509 PolarHBondContact O-N 3.37Å; L507-M509 PolarHBondContact O-N 3.4Å; M509-F513 WeakPolarHBondContact O-CB 3.33Å; M509-F513 PolarHBondContact O-N 2.75Å
510	L	84.4	Confident	78.4	Confident	35 Å²	35	37.8 Å²	37.8	18%	0.183	18%	0.18	C	C	.	.	H	α-helix	trans	-65.5	-46.5	177.2	-74.7	170.4	0	0	0	112.2	V404 F486 V506 L507 L514	V404-L510 HydrophobicContact CG1-CB 3.77Å; V404-L510 HydrophobicContact CG2-CD1 4.39Å; F486-L510 HydrophobicContact CE2-CD2 3.93Å; F486-L510 HydrophobicContact CZ-CD2 4.02Å; V506-L510 HydrophobicContact CG1-CD1 3.8Å; V506-L510 HydrophobicContact CG1-CG 4.38Å; V506-L510 WeakPolarHBondContact O-CB 2.96Å; V506-L510 WeakPolarHBondContact O-CG 3.39Å; V506-L510 PolarHBondContact O-N 3.31Å; L507-L510 PolarHBondContact O-N 2.84Å; L510-L514 WeakPolarHBondContact O-CB 2.97Å; L510-L514 VanDerWaalsContact O-CG 3.25Å; L510-L514 WeakPolarHBondContact O-CG 3.46Å; L510-L514 PolarHBondContact O-N 3.17Å
511	Y	82.8	Confident	77.9	Confident	13 Å²	13	35.4 Å²	35.4	5%	0.051	17%	0.172	C	C	.	.	H	α-helix	trans	-62.5	-53.9	178.5	174.8	-88.8	0	0	0	111.5	D40 V405 Y408 L507 F513 L514 L515	D40-Y511 VanDerWaalsContact CG-OH 3.27Å; D40-Y511 PolarHBondContact OD1-OH 3.05Å; V405-Y511 HydrophobicContact CB-CD2 4.47Å; V405-Y511 HydrophobicContact CG1-CE2 4.12Å; V405-Y511 HydrophobicContact CG2-CD2 3.93Å; V405-Y511 HydrophobicContact CG2-CE2 4.03Å; Y408-Y511 AromaticContact CD1-CD1 3.61Å; Y408-Y511 HydrophobicContact CD1-CD1 3.61Å; Y408-Y511 AromaticContact CD1-CD2 3.38Å; Y408-Y511 HydrophobicContact CD1-CD2 3.38Å; Y408-Y511 AromaticContact CD1-CE1 3.98Å; Y408-Y511 HydrophobicContact CD1-CE1 3.98Å; Y408-Y511 AromaticContact CD1-CE2 3.76Å; Y408-Y511 HydrophobicContact CD1-CE2 3.76Å; Y408-Y511 AromaticContact CD1-CG 3.27Å; Y408-Y511 HydrophobicContact CD1-CG 3.27Å; Y408-Y511 AromaticContact CE1-CD1 3.09Å; Y408-Y511 HydrophobicContact CE1-CD1 3.09Å; Y408-Y511 AromaticContact CE1-CD2 3.84Å; Y408-Y511 HydrophobicContact CE1-CD2 3.84Å; Y408-Y511 AromaticContact CE1-CE1 3.47Å; Y408-Y511 HydrophobicContact CE1-CE1 3.47Å; Y408-Y511 VanDerWaalsContact CE1-CE1 3.47Å; Y408-Y511 HydrophobicContact CE1-CE2 4.13Å; Y408-Y511 AromaticContact CE1-CG 3.3Å; Y408-Y511 HydrophobicContact CE1-CG 3.3Å; Y408-Y511 AromaticContact CE1-CZ 3.96Å; Y408-Y511 HydrophobicContact CG-CD2 4.11Å; Y408-Y511 AromaticContact CG-CG 3.97Å; Y408-Y511 HydrophobicContact CG-CG 3.97Å; Y408-Y511 AromaticContact CZ-CD1 3.77Å; L507-Y511 VanDerWaalsContact O-CB 3.29Å; L507-Y511 WeakPolarHBondContact O-CB 3.36Å; L507-Y511 PolarHBondContact O-N 3.24Å; Y511-F513 PolarHBondContact O-N 2.92Å; Y511-L514 PolarHBondContact O-N 3.07Å; Y511-L514 VanDerWaalsContact O-N 3.13Å; Y511-L515 HydrophobicContact CE1-CD1 3.8Å; Y511-L515 WeakPolarHBondContact O-CB 3.4Å; Y511-L515 PolarHBondContact O-N 3.1Å
512	G	78	Confident	77.1	Confident	2 Å²	2	34.9 Å²	34.9	2%	0.021	16%	0.164	C	C	.	.	H	α-helix	trans	-62.5	-32.4	-178.9	0	0	0	0	0	112.5	Y489 S508 T516	Y489-G512 WeakPolarHBondContact OH-CA 3.35Å; S508-G512 PolarHBondContact O-N 3.46Å; G512-T516 VanDerWaalsContact O-CB 3.23Å; G512-T516 WeakPolarHBondContact O-CB 3.46Å; G512-T516 PolarHBondContact O-N 3.36Å; G512-T516 PolarHBondContact O-OG1 3.47Å
513	F	82.8	Confident	76.4	Confident	16 Å²	16	30.1 Å²	30.1	7%	0.07	15%	0.152	C	C	.	.	H	α-helix	trans	-66.7	-50.5	171.1	-179.7	-100.9	0	0	0	112.5	L482 L485 F486 Y489 M509 Y511 L515 T516 F517	L482-F513 HydrophobicContact CD1-CE1 3.88Å; L482-F513 HydrophobicContact CD1-CZ 3.44Å; L482-F513 VanDerWaalsContact CD1-CZ 3.44Å; L482-F513 HydrophobicContact CG-CZ 4.12Å; L485-F513 HydrophobicContact CB-CE2 4.48Å; F486-F513 HydrophobicContact CB-CD2 4.41Å; F486-F513 HydrophobicContact CB-CE1 4.31Å; F486-F513 HydrophobicContact CB-CE2 3.73Å; F486-F513 HydrophobicContact CB-CZ 3.63Å; F486-F513 HydrophobicContact CD2-CB 4.46Å; F486-F513 AromaticContact CD2-CD1 3.64Å; F486-F513 HydrophobicContact CD2-CD1 3.64Å; F486-F513 AromaticContact CD2-CD2 3.85Å; F486-F513 HydrophobicContact CD2-CD2 3.85Å; F486-F513 AromaticContact CD2-CE1 3.67Å; F486-F513 HydrophobicContact CD2-CE1 3.67Å; F486-F513 AromaticContact CD2-CE2 3.91Å; F486-F513 HydrophobicContact CD2-CE2 3.91Å; F486-F513 AromaticContact CD2-CG 3.71Å; F486-F513 HydrophobicContact CD2-CG 3.71Å; F486-F513 AromaticContact CD2-CZ 3.78Å; F486-F513 HydrophobicContact CD2-CZ 3.78Å; F486-F513 HydrophobicContact CE2-CD1 4.16Å; F486-F513 HydrophobicContact CE2-CG 4.27Å; F486-F513 HydrophobicContact CG-CE1 4.41Å; F486-F513 HydrophobicContact CG-CE2 4.34Å; F486-F513 HydrophobicContact CG-CZ 4.19Å; Y489-F513 HydrophobicContact CD1-CB 3.78Å; Y489-F513 HydrophobicContact CD1-CD2 4.24Å; Y489-F513 HydrophobicContact CE1-CB 4.03Å; Y489-F513 HydrophobicContact CG-CD2 4.25Å; M509-F513 WeakPolarHBondContact O-CB 3.33Å; M509-F513 PolarHBondContact O-N 2.75Å; Y511-F513 PolarHBondContact O-N 2.92Å; F513-L515 VanDerWaalsContact C-N 3.29Å; F513-L515 PolarHBondContact O-N 2.6Å; F513-T516 PolarHBondContact O-N 2.98Å; F513-F517 AromaticContact CD2-CD2 3.28Å; F513-F517 HydrophobicContact CD2-CD2 3.28Å; F513-F517 AromaticContact CD2-CE2 3.74Å; F513-F517 HydrophobicContact CD2-CE2 3.74Å; F513-F517 HydrophobicContact CD2-CG 4.19Å; F513-F517 HydrophobicContact CE2-CB 4.24Å; F513-F517 AromaticContact CE2-CD2 3.35Å; F513-F517 HydrophobicContact CE2-CD2 3.35Å; F513-F517 AromaticContact CE2-CE2 3.83Å; F513-F517 HydrophobicContact CE2-CE2 3.83Å; F513-F517 AromaticContact CE2-CG 3.89Å; F513-F517 HydrophobicContact CE2-CG 3.89Å; F513-F517 HydrophobicContact CG-CD2 4.11Å; F513-F517 HydrophobicContact CZ-CB 4.35Å; F513-F517 HydrophobicContact CZ-CD2 4.25Å; F513-F517 HydrophobicContact CZ-CG 4.43Å; F513-F517 WeakPolarHBondContact O-CB 3.05Å; F513-F517 PolarHBondContact O-N 3.46Å
514	L	78.4	Confident	75.5	Confident	15 Å²	15	24.1 Å²	24.1	8%	0.079	13%	0.129	C	C	.	.	H	α-helix	trans	-60.8	-38.5	179.3	-72.6	168.6	0	0	0	111.8	F397 Q401 V404 L510 Y511 G518	F397-L514 HydrophobicContact CE1-CD2 4.16Å; F397-L514 HydrophobicContact CZ-CD2 3.8Å; Q401-L514 HydrophobicContact CB-CD1 4.35Å; Q401-L514 HydrophobicContact CG-CD1 4.21Å; V404-L514 HydrophobicContact CB-CD1 4.05Å; V404-L514 HydrophobicContact CG1-CD1 3.9Å; V404-L514 HydrophobicContact CG2-CD1 4.35Å; L510-L514 WeakPolarHBondContact O-CB 2.97Å; L510-L514 VanDerWaalsContact O-CG 3.25Å; L510-L514 WeakPolarHBondContact O-CG 3.46Å; L510-L514 PolarHBondContact O-N 3.17Å; Y511-L514 PolarHBondContact O-N 3.07Å; Y511-L514 VanDerWaalsContact O-N 3.13Å; L514-G518 WeakPolarHBondContact O-CA 3.17Å; L514-G518 PolarHBondContact O-N 3.17Å
515	L	73.9	Confident	74.7	Confident	23 Å²	23	24.1 Å²	24.1	12%	0.12	13%	0.128	C	C	.	.	H	α-helix	trans	-70.2	-48	177.2	-170.7	156	0	0	0	111.5	Y511 F513 M565 R572	Y511-L515 HydrophobicContact CE1-CD1 3.8Å; Y511-L515 WeakPolarHBondContact O-CB 3.4Å; Y511-L515 PolarHBondContact O-N 3.1Å; F513-L515 VanDerWaalsContact C-N 3.29Å; F513-L515 PolarHBondContact O-N 2.6Å; L515-M565 HydrophobicContact CD2-CG 3.61Å; L515-M565 HydrophobicContact CD2-SD 4.24Å; L515-R572 PolarHBondContact O-NH1 2.95Å
516	T	69.8	Low	73.9	Confident	40 Å²	40	23.4 Å²	23.4	25%	0.245	13%	0.127	C	C	.	.	H	α-helix	trans	-67.3	-40.4	-179.6	-54.6	0	0	0	0	112.4	G512 F513	G512-T516 VanDerWaalsContact O-CB 3.23Å; G512-T516 WeakPolarHBondContact O-CB 3.46Å; G512-T516 PolarHBondContact O-N 3.36Å; G512-T516 PolarHBondContact O-OG1 3.47Å; F513-T516 PolarHBondContact O-N 2.98Å
517	F	71.1	Confident	73.2	Confident	36 Å²	36	23.4 Å²	23.4	16%	0.158	12%	0.123	C	C	.	.	H	α-helix	trans	-105.4	12.8	-173.4	-65.7	-78.3	0	0	0	114	L485 Y489 F513 F519 I520	L485-F517 HydrophobicContact CB-CE1 4.18Å; L485-F517 HydrophobicContact CB-CZ 4.23Å; L485-F517 HydrophobicContact CD1-CD1 4.1Å; L485-F517 HydrophobicContact CD1-CE1 3.81Å; L485-F517 HydrophobicContact CD2-CE1 4.01Å; L485-F517 HydrophobicContact CD2-CZ 4.2Å; L485-F517 HydrophobicContact CG-CE1 4.23Å; Y489-F517 HydrophobicContact CD2-CE2 4.3Å; Y489-F517 HydrophobicContact CG-CE2 4.45Å; F513-F517 AromaticContact CD2-CD2 3.28Å; F513-F517 HydrophobicContact CD2-CD2 3.28Å; F513-F517 AromaticContact CD2-CE2 3.74Å; F513-F517 HydrophobicContact CD2-CE2 3.74Å; F513-F517 HydrophobicContact CD2-CG 4.19Å; F513-F517 HydrophobicContact CE2-CB 4.24Å; F513-F517 AromaticContact CE2-CD2 3.35Å; F513-F517 HydrophobicContact CE2-CD2 3.35Å; F513-F517 AromaticContact CE2-CE2 3.83Å; F513-F517 HydrophobicContact CE2-CE2 3.83Å; F513-F517 AromaticContact CE2-CG 3.89Å; F513-F517 HydrophobicContact CE2-CG 3.89Å; F513-F517 HydrophobicContact CG-CD2 4.11Å; F513-F517 HydrophobicContact CZ-CB 4.35Å; F513-F517 HydrophobicContact CZ-CD2 4.25Å; F513-F517 HydrophobicContact CZ-CG 4.43Å; F513-F517 WeakPolarHBondContact O-CB 3.05Å; F513-F517 PolarHBondContact O-N 3.46Å; F517-F519 HydrophobicContact CB-CE1 4.44Å; F517-F519 AromaticContact CD1-CE1 3.81Å; F517-F519 HydrophobicContact CD1-CE1 3.81Å; F517-F519 HydrophobicContact CD1-CZ 4.1Å; F517-F519 PolarHBondContact O-N 3.45Å; F517-I520 HydrophobicContact CB-CD1 3.99Å; F517-I520 HydrophobicContact CB-CG1 4.48Å; F517-I520 HydrophobicContact CD1-CD1 4.03Å; F517-I520 HydrophobicContact CG-CD1 4.4Å; F517-I520 VanDerWaalsContact O-CB 3.24Å; F517-I520 WeakPolarHBondContact O-CB 3Å; F517-I520 WeakPolarHBondContact O-CG1 3.45Å; F517-I520 PolarHBondContact O-N 3Å
518	G	66.1	Low	72.5	Confident	4 Å²	4	23.3 Å²	23.3	4%	0.041	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-29.1	-178.2	0	0	0	0	0	114.9	L514 I520 T521	L514-G518 WeakPolarHBondContact O-CA 3.17Å; L514-G518 PolarHBondContact O-N 3.17Å; G518-I520 PolarHBondContact O-N 3.38Å; G518-I520 VanDerWaalsContact O-N 3.1Å; G518-T521 WeakPolarHBondContact O-CB 3.49Å; G518-T521 PolarHBondContact O-N 3.37Å; G518-T521 PolarHBondContact O-OG1 3.26Å
519	F	65.3	Low	72.2	Confident	72 Å²	72	22.3 Å²	22.3	32%	0.316	12%	0.115	S	C	.	.	H	α-helix	trans	-56.8	-27.1	175.1	70.4	-90.7	0	0	0	113.5	F517 T521 M522 T523 R572 V576	F517-F519 HydrophobicContact CB-CE1 4.44Å; F517-F519 AromaticContact CD1-CE1 3.81Å; F517-F519 HydrophobicContact CD1-CE1 3.81Å; F517-F519 HydrophobicContact CD1-CZ 4.1Å; F517-F519 PolarHBondContact O-N 3.45Å; F519-T521 PolarHBondContact O-N 3.33Å; F519-M522 PolarHBondContact O-N 3.02Å; F519-M522 VanDerWaalsContact O-N 3.16Å; F519-T523 PolarHBondContact O-N 2.91Å; F519-T523 VanDerWaalsContact O-N 3.08Å; F519-T523 PolarHBondContact O-OG1 3.5Å; F519-R572 HydrophobicContact CB-CG 3.7Å; F519-R572 HydrophobicContact CD1-CG 4.35Å; F519-R572 HydrophobicContact CG-CG 4.5Å; F519-V576 HydrophobicContact CB-CG2 4.14Å
520	I	65.9	Low	71.6	Confident	7 Å²	7	27.7 Å²	27.7	4%	0.036	14%	0.136	C	C	.	.	H	α-helix	trans	-61.1	-36.8	177.2	-68.1	-177.4	0	0	0	109.4	L478 L482 L485 F517 G518 M522 T523 P524	L478-I520 HydrophobicContact CD1-CB 4.27Å; L478-I520 HydrophobicContact CD1-CG2 3.44Å; L478-I520 VanDerWaalsContact CD1-CG2 3.44Å; L478-I520 HydrophobicContact CD2-CG2 3.86Å; L478-I520 WeakPolarHBondContact CD2-O 3.31Å; L478-I520 HydrophobicContact CG-CG2 3.54Å; L482-I520 HydrophobicContact CD1-CB 4.32Å; L482-I520 HydrophobicContact CD1-CD1 3.48Å; L482-I520 VanDerWaalsContact CD1-CD1 3.48Å; L482-I520 HydrophobicContact CD1-CG1 4.46Å; L482-I520 HydrophobicContact CD1-CG2 3.7Å; L482-I520 HydrophobicContact CD2-CG2 4.4Å; L482-I520 HydrophobicContact CG-CG2 4.48Å; L485-I520 HydrophobicContact CD1-CD1 4.24Å; F517-I520 HydrophobicContact CB-CD1 3.99Å; F517-I520 HydrophobicContact CB-CG1 4.48Å; F517-I520 HydrophobicContact CD1-CD1 4.03Å; F517-I520 HydrophobicContact CG-CD1 4.4Å; F517-I520 VanDerWaalsContact O-CB 3.24Å; F517-I520 WeakPolarHBondContact O-CB 3Å; F517-I520 WeakPolarHBondContact O-CG1 3.45Å; F517-I520 PolarHBondContact O-N 3Å; G518-I520 PolarHBondContact O-N 3.38Å; G518-I520 VanDerWaalsContact O-N 3.1Å; I520-M522 VanDerWaalsContact C-N 3.27Å; I520-M522 PolarHBondContact O-N 3.24Å; I520-T523 WeakPolarHBondContact O-CB 3.35Å; I520-T523 PolarHBondContact O-N 3.44Å; I520-P524 WeakPolarHBondContact O-CD 3.32Å
521	T	62.2	Low	71.2	Confident	25 Å²	25	30.7 Å²	30.7	15%	0.153	15%	0.147	C	C	.	.	H	α-helix	trans	-65.1	-29.8	178.3	70	0	0	0	0	113.2	F397 G518 F519 P524	F397-T521 HydrophobicContact CD1-CG2 4.17Å; F397-T521 HydrophobicContact CE1-CG2 3.55Å; F397-T521 HydrophobicContact CZ-CG2 4.32Å; G518-T521 WeakPolarHBondContact O-CB 3.49Å; G518-T521 PolarHBondContact O-N 3.37Å; G518-T521 PolarHBondContact O-OG1 3.26Å; F519-T521 PolarHBondContact O-N 3.33Å; T521-P524 WeakPolarHBondContact O-CD 3.21Å
522	M	64.2	Low	70.5	Confident	10 Å²	10	32.8 Å²	32.8	5%	0.049	16%	0.158	C	C	.	.	H	α-helix	trans	-85.1	-21.2	177.7	-55.7	-63.8	172.8	0	0	112.8	T31 V32 F519 I520 Q525 V576	T31-M522 VanDerWaalsContact CA-SD 3.54Å; T31-M522 HydrophobicContact CG2-CE 4.06Å; T31-M522 HydrophobicContact CG2-SD 4.02Å; V32-M522 HydrophobicContact CB-CE 4.33Å; V32-M522 HydrophobicContact CB-SD 3.75Å; V32-M522 PolarHBondContact N-SD 2.9Å; V32-M522 WeakPolarHBondContact O-CE 3.49Å; F519-M522 PolarHBondContact O-N 3.02Å; F519-M522 VanDerWaalsContact O-N 3.16Å; I520-M522 VanDerWaalsContact C-N 3.27Å; I520-M522 PolarHBondContact O-N 3.24Å; M522-Q525 PolarHBondContact O-N 3.38Å; M522-V576 HydrophobicContact CB-CG1 3.84Å; M522-V576 HydrophobicContact CG-CG1 4.34Å
523	T	68.3	Low	70.5	Confident	50 Å²	50	37.6 Å²	37.6	31%	0.307	18%	0.178	S	C	.	.	H	α-helix	trans	-62.2	-37.7	-173.8	-61.6	0	0	0	0	115	L478 F519 I520 Q525 L526 F527	L478-T523 HydrophobicContact CD1-CG2 4.11Å; F519-T523 PolarHBondContact O-N 2.91Å; F519-T523 VanDerWaalsContact O-N 3.08Å; F519-T523 PolarHBondContact O-OG1 3.5Å; I520-T523 WeakPolarHBondContact O-CB 3.35Å; I520-T523 PolarHBondContact O-N 3.44Å; T523-Q525 PolarHBondContact O-N 3.34Å; T523-L526 PolarHBondContact O-N 3.32Å; T523-F527 PolarHBondContact O-N 2.84Å
524	P	65.2	Low	70	Confident	10 Å²	10	37.6 Å²	37.6	7%	0.065	18%	0.18	C	C	.	.	H	α-helix	trans	-51.7	-39.9	174.7	-28.6	33.7	0	0	0	113	A474 F475 L478 I520 T521 F527 I528	A474-P524 HydrophobicContact CB-CB 4.2Å; F475-P524 HydrophobicContact CE2-CG 4.34Å; F475-P524 HydrophobicContact CZ-CG 4.34Å; L478-P524 HydrophobicContact CD2-CG 3.58Å; I520-P524 WeakPolarHBondContact O-CD 3.32Å; T521-P524 WeakPolarHBondContact O-CD 3.21Å; P524-F527 WeakPolarHBondContact O-CB 3.29Å; P524-F527 PolarHBondContact O-N 2.83Å; P524-I528 VanDerWaalsContact O-CG1 3.28Å; P524-I528 WeakPolarHBondContact O-CG1 3.39Å; P524-I528 PolarHBondContact O-N 3.03Å
525	Q	63.3	Low	69.6	Low	12 Å²	12	36.9 Å²	36.9	6%	0.056	18%	0.177	C	C	.	.	H	α-helix	trans	-71.7	-44.7	-176.4	174.2	60.2	-4	0	0	112.7	M522 T523 F527 I528 N529 Y580 E596	M522-Q525 PolarHBondContact O-N 3.38Å; T523-Q525 PolarHBondContact O-N 3.34Å; Q525-F527 PolarHBondContact O-N 2.9Å; Q525-I528 PolarHBondContact O-N 2.85Å; Q525-N529 PolarHBondContact NE2-ND2 3.4Å; Q525-N529 PolarHBondContact NE2-OD1 2.67Å; Q525-N529 PolarHBondContact O-N 2.91Å; Q525-Y580 HydrophobicContact CG-CE2 4.24Å; Q525-E596 VanDerWaalsContact CD-OE2 3.3Å; Q525-E596 HydrophobicContact CG-CG 4.47Å; Q525-E596 WeakPolarHBondContact CG-OE1 3.25Å; Q525-E596 WeakPolarHBondContact CG-OE2 3.47Å; Q525-E596 PolarHBondContact NE2-OE1 3.46Å
526	L	71.8	Confident	69.1	Low	23 Å²	23	35.9 Å²	35.9	12%	0.12	17%	0.171	C	C	.	.	H	α-helix	trans	-58.2	-34.7	173.5	-84.3	64	0	0	0	110.6	T523 Y530 V576 I579 Y580 Q583	T523-L526 PolarHBondContact O-N 3.32Å; L526-Y530 WeakPolarHBondContact O-CB 3.4Å; L526-Y530 PolarHBondContact O-N 2.96Å; L526-Y530 VanDerWaalsContact O-N 3.1Å; L526-V576 HydrophobicContact CD1-CG1 4.04Å; L526-V576 HydrophobicContact CD2-CG1 4.28Å; L526-I579 HydrophobicContact CD2-CB 4.01Å; L526-I579 HydrophobicContact CD2-CG2 3.55Å; L526-I579 HydrophobicContact CG-CG2 4.34Å; L526-Y580 HydrophobicContact CD1-CD2 4.14Å; L526-Q583 PolarHBondContact O-NE2 2.88Å; L526-Q583 PolarHBondContact O-OE1 2.89Å
527	F	72.1	Confident	68.5	Low	57 Å²	57	36.4 Å²	36.4	25%	0.25	17%	0.171	C	C	.	.	H	α-helix	trans	-70.6	-44	174.8	-179.9	-93.8	0	0	0	113	A474 T523 P524 Q525 Y530 K531	A474-F527 HydrophobicContact CB-CD1 3.66Å; A474-F527 HydrophobicContact CB-CE1 4.08Å; A474-F527 HydrophobicContact CB-CG 4.37Å; T523-F527 PolarHBondContact O-N 2.84Å; P524-F527 WeakPolarHBondContact O-CB 3.29Å; P524-F527 PolarHBondContact O-N 2.83Å; Q525-F527 PolarHBondContact O-N 2.9Å; F527-Y530 PolarHBondContact O-N 2.69Å; F527-K531 HydrophobicContact CD1-CG 4.12Å; F527-K531 HydrophobicContact CE1-CG 3.77Å; F527-K531 HydrophobicContact CE2-CG 4.33Å; F527-K531 HydrophobicContact CZ-CD 4.29Å; F527-K531 HydrophobicContact CZ-CG 3.9Å; F527-K531 WeakPolarHBondContact O-CB 3.39Å; F527-K531 WeakPolarHBondContact O-CG 3.41Å; F527-K531 PolarHBondContact O-N 2.67Å
528	I	69.8	Low	67.9	Low	8 Å²	8	34.9 Å²	34.9	4%	0.041	16%	0.164	C	C	.	.	H	α-helix	trans	-62.2	-45.1	177.5	-69.2	163.7	0	0	0	110.3	D471 P524 Q525 Y530 K531 M532	D471-I528 HydrophobicContact CB-CD1 4.48Å; P524-I528 VanDerWaalsContact O-CG1 3.28Å; P524-I528 WeakPolarHBondContact O-CG1 3.39Å; P524-I528 PolarHBondContact O-N 3.03Å; Q525-I528 PolarHBondContact O-N 2.85Å; I528-Y530 PolarHBondContact O-N 3.28Å; I528-K531 PolarHBondContact O-N 2.96Å; I528-M532 HydrophobicContact CG2-CG 4.04Å; I528-M532 WeakPolarHBondContact O-CB 3.29Å; I528-M532 VanDerWaalsContact O-CG 3.25Å; I528-M532 WeakPolarHBondContact O-CG 3.28Å; I528-M532 PolarHBondContact O-N 2.8Å
529	N	72.8	Confident	67.5	Low	0 Å²	0	36 Å²	36	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-60.9	-42.6	174.7	-71.5	-21.7	0	0	0	112.2	Q525 K531 K533 S534 Y580 R593	Q525-N529 PolarHBondContact NE2-ND2 3.4Å; Q525-N529 PolarHBondContact NE2-OD1 2.67Å; Q525-N529 PolarHBondContact O-N 2.91Å; N529-K531 PolarHBondContact O-N 3.1Å; N529-K533 PolarHBondContact O-N 3.13Å; N529-S534 PolarHBondContact OD1-O 3.37Å; N529-Y580 VanDerWaalsContact ND2-CE2 3.3Å; N529-Y580 WeakPolarHBondContact ND2-CE2 3.33Å; N529-R593 PolarHBondContact OD1-NH1 3.43Å; N529-R593 VanDerWaalsContact OD1-NH1 3.1Å; N529-R593 PolarHBondContact OD1-NH2 2.97Å
530	Y	76.3	Confident	67.1	Low	124 Å²	124	35.9 Å²	35.9	49%	0.486	17%	0.168	S	C	.	.	H	α-helix	trans	-61.8	-39.2	174.5	176.7	-87.8	0	0	0	113.3	L526 F527 I528 K533 Y587	L526-Y530 WeakPolarHBondContact O-CB 3.4Å; L526-Y530 PolarHBondContact O-N 2.96Å; L526-Y530 VanDerWaalsContact O-N 3.1Å; F527-Y530 PolarHBondContact O-N 2.69Å; I528-Y530 PolarHBondContact O-N 3.28Å; Y530-K533 WeakPolarHBondContact O-CD 3.44Å; Y530-K533 WeakPolarHBondContact O-CE 3.29Å; Y530-K533 PolarHBondContact O-NZ 2.97Å; Y530-K533 VanDerWaalsContact O-NZ 3.16Å; Y530-Y587 VanDerWaalsContact CD2-OH 3.25Å; Y530-Y587 WeakPolarHBondContact CD2-OH 3.26Å
531	K	74.9	Confident	66.9	Low	98 Å²	98	44.5 Å²	44.5	43%	0.426	20%	0.2	S	C	.	.	H	α-helix	trans	-75	-42.6	179.7	-76.5	-66.5	-171.8	179.1	0	113	Y470 F527 I528 N529 K533	Y470-K531 HydrophobicContact CD1-CB 4.3Å; Y470-K531 HydrophobicContact CD1-CG 4.44Å; Y470-K531 HydrophobicContact CE1-CB 4.49Å; F527-K531 HydrophobicContact CD1-CG 4.12Å; F527-K531 HydrophobicContact CE1-CG 3.77Å; F527-K531 HydrophobicContact CE2-CG 4.33Å; F527-K531 HydrophobicContact CZ-CD 4.29Å; F527-K531 HydrophobicContact CZ-CG 3.9Å; F527-K531 WeakPolarHBondContact O-CB 3.39Å; F527-K531 WeakPolarHBondContact O-CG 3.41Å; F527-K531 PolarHBondContact O-N 2.67Å; I528-K531 PolarHBondContact O-N 2.96Å; N529-K531 PolarHBondContact O-N 3.1Å; K531-K533 VanDerWaalsContact C-N 3.32Å
532	M	68.9	Low	66.8	Low	56 Å²	56	43.5 Å²	43.5	28%	0.276	19%	0.194	S	C	.	.	H	α-helix	trans	-79.9	-14.2	-178.4	-62.4	-109.1	-74.3	0	0	112.9	Y470 I528 S534	Y470-M532 HydrophobicContact CD2-SD 4.34Å; Y470-M532 HydrophobicContact CE2-SD 4.36Å; I528-M532 HydrophobicContact CG2-CG 4.04Å; I528-M532 WeakPolarHBondContact O-CB 3.29Å; I528-M532 VanDerWaalsContact O-CG 3.25Å; I528-M532 WeakPolarHBondContact O-CG 3.28Å; I528-M532 PolarHBondContact O-N 2.8Å; M532-S534 PolarHBondContact O-N 2.96Å; M532-S534 VanDerWaalsContact O-N 3.13Å
533	K	77	Confident	66.7	Low	104 Å²	104	43.3 Å²	43.3	45%	0.452	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	26.4	-178.1	-57.9	-65.5	177	-167.3	0	113.6	N529 Y530 K531 Y587	N529-K533 PolarHBondContact O-N 3.13Å; Y530-K533 WeakPolarHBondContact O-CD 3.44Å; Y530-K533 WeakPolarHBondContact O-CE 3.29Å; Y530-K533 PolarHBondContact O-NZ 2.97Å; Y530-K533 VanDerWaalsContact O-NZ 3.16Å; K531-K533 VanDerWaalsContact C-N 3.32Å; K533-Y587 HydrophobicContact CB-CD1 4.22Å; K533-Y587 HydrophobicContact CB-CE1 4.35Å; K533-Y587 HydrophobicContact CD-CD1 4.01Å; K533-Y587 HydrophobicContact CD-CE1 3.3Å; K533-Y587 HydrophobicContact CG-CE1 4.44Å; K533-Y587 PolarHBondContact NZ-OH 2.9Å; K533-Y587 WeakPolarHBondContact O-CB 3.26Å
534	S	71.9	Confident	66.6	Low	16 Å²	16	43.5 Å²	43.5	11%	0.112	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	163.3	177	69.7	0	0	0	0	110.3	N529 M532 R588 R593	N529-S534 PolarHBondContact OD1-O 3.37Å; M532-S534 PolarHBondContact O-N 2.96Å; M532-S534 VanDerWaalsContact O-N 3.13Å; S534-R588 WeakPolarHBondContact CA-O 3.13Å; S534-R593 VanDerWaalsContact C-NH1 3.33Å; S534-R593 PolarHBondContact O-NH1 2.94Å; S534-R593 PolarHBondContact OG-NH1 3.38Å
535	V	70.4	Confident	66.6	Low	0 Å²	0	46.2 Å²	46.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	139.3	170	177	0	0	0	0	108.1	L538 Y580 R584 R588 V589 D590	V535-L538 HydrophobicContact CG1-CD1 3.75Å; V535-Y580 HydrophobicContact CG1-CE1 3.88Å; V535-Y580 WeakPolarHBondContact CG1-OH 3.33Å; V535-R584 HydrophobicContact CB-CB 4.27Å; V535-R584 HydrophobicContact CB-CG 4.29Å; V535-R584 HydrophobicContact CG1-CB 4.22Å; V535-R584 HydrophobicContact CG1-CG 4.28Å; V535-R584 HydrophobicContact CG2-CB 3.98Å; V535-R588 PolarHBondContact N-O 2.97Å; V535-R588 VanDerWaalsContact N-O 3.09Å; V535-V589 CarbonylContact O-C 3.6Å; V535-V589 VanDerWaalsContact O-CA 3.29Å; V535-V589 WeakPolarHBondContact O-CA 3.48Å; V535-D590 PolarHBondContact O-N 3.22Å
536	A	64.3	Low	66.6	Low	1 Å²	1	46.9 Å²	46.9	1%	0.008	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	171.5	-178.6	0	0	0	0	0	112.5	L538 R593 N595	A536-L538 WeakPolarHBondContact O-CD1 3.49Å; A536-R593 HydrophobicContact CB-CB 4.49Å; A536-R593 HydrophobicContact CB-CG 4.03Å; A536-N595 VanDerWaalsContact CB-CA 3.48Å; A536-N595 HydrophobicContact CB-CB 3.54Å
537	H	56.8	Low	66.5	Low	51 Å²	51	46.8 Å²	46.8	24%	0.236	21%	0.209	C	C	.	.			trans	-80.3	133.7	171.3	175.5	-85	0	0	0	111.2	N595 G601 H604	H537-N595 VanDerWaalsContact O-CB 3.24Å; H537-N595 WeakPolarHBondContact O-CB 3.21Å; H537-N595 PolarHBondContact O-ND2 2.98Å; H537-G601 VanDerWaalsContact CG-CA 3.46Å; H537-H604 AromaticContact CE1-CD2 3.92Å
538	L	58.3	Low	66.4	Low	4 Å²	4	47.5 Å²	47.5	2%	0.021	22%	0.215	C	C	.	.			trans	-127.4	150	-164.3	-68.7	129.1	0	0	0	113.9	D28 Q30 V535 A536 W540 L543 Y580 N595	D28-L538 WeakPolarHBondContact O-CB 3.09Å; D28-L538 WeakPolarHBondContact O-CD1 3.11Å; D28-L538 VanDerWaalsContact O-CG 3.23Å; D28-L538 WeakPolarHBondContact O-CG 3.25Å; Q30-L538 HydrophobicContact CB-CD2 3.51Å; Q30-L538 HydrophobicContact CG-CD2 3.59Å; V535-L538 HydrophobicContact CG1-CD1 3.75Å; A536-L538 WeakPolarHBondContact O-CD1 3.49Å; L538-W540 PolarHBondContact O-N 3.16Å; L538-L543 HydrophobicContact CB-CD1 4Å; L538-L543 HydrophobicContact CD2-CD1 4.23Å; L538-Y580 HydrophobicContact CD1-CE1 4.29Å; L538-Y580 WeakPolarHBondContact CD1-OH 3.41Å; L538-N595 HydrophobicContact CD2-CB 4.5Å
539	P	57.9	Low	66.3	Low	27 Å²	27	47.9 Å²	47.9	18%	0.175	22%	0.218	C	C	.	.			trans	-79.6	81.9	-176.9	33.8	-36.7	0	0	0	112	R541 M542 L543 F597	P539-R541 VanDerWaalsContact C-N 3.25Å; P539-R541 PolarHBondContact O-N 3.44Å; P539-M542 PolarHBondContact O-N 3.31Å; P539-M542 VanDerWaalsContact O-N 3.08Å; P539-L543 HydrophobicContact CG-CD1 4.23Å; P539-L543 PolarHBondContact O-N 3.26Å; P539-F597 HydrophobicContact CG-CD2 3.41Å; P539-F597 VanDerWaalsContact CG-CD2 3.41Å; P539-F597 HydrophobicContact CG-CE2 3.46Å; P539-F597 VanDerWaalsContact CG-CE2 3.46Å
540	W	56.8	Low	66.1	Low	70 Å²	70	48.9 Å²	48.9	27%	0.265	22%	0.223	S	C	.	.	H	α-helix	trans	-37	-47.3	179	-86.7	88.6	0	0	0	116.2	T26 D28 L538 M542 L543 T544	T26-W540 VanDerWaalsContact C-CZ2 3.41Å; T26-W540 WeakPolarHBondContact O-CH2 3.37Å; T26-W540 WeakPolarHBondContact O-CZ2 3.41Å; T26-W540 WeakPolarHBondContact OG1-CZ3 3.2Å; D28-W540 HydrophobicContact CB-CH2 3.9Å; D28-W540 HydrophobicContact CB-CZ2 4.29Å; D28-W540 HydrophobicContact CB-CZ3 4.42Å; D28-W540 WeakPolarHBondContact OD1-CH2 3.45Å; D28-W540 WeakPolarHBondContact OD2-CH2 3.47Å; D28-W540 WeakPolarHBondContact OD2-CZ3 3.19Å; L538-W540 PolarHBondContact O-N 3.16Å; W540-M542 PolarHBondContact O-N 3.09Å; W540-L543 PolarHBondContact O-N 2.79Å; W540-T544 WeakPolarHBondContact O-CB 3.46Å; W540-T544 PolarHBondContact O-N 3.44Å; W540-T544 PolarHBondContact O-OG1 3.12Å; W540-T544 VanDerWaalsContact O-OG1 3.05Å
541	R	61	Low	65.7	Low	188 Å²	188	48.9 Å²	48.9	71%	0.709	23%	0.226	S	C	*	.	H	α-helix	trans	-60	-46.6	-176.8	-64.3	-178.5	-179	168.6	1.3	112.4	P539 Y545	P539-R541 VanDerWaalsContact C-N 3.25Å; P539-R541 PolarHBondContact O-N 3.44Å; R541-Y545 HydrophobicContact CB-CE2 4.41Å; R541-Y545 WeakPolarHBondContact O-CD2 3.38Å; R541-Y545 VanDerWaalsContact O-CE2 3.3Å; R541-Y545 WeakPolarHBondContact O-CE2 3.49Å; R541-Y545 VanDerWaalsContact O-CG 3.23Å; R541-Y545 PolarHBondContact O-N 2.97Å
542	M	60	Low	65.4	Low	4 Å²	4	45.3 Å²	45.3	2%	0.02	21%	0.212	C	C	.	.	H	α-helix	trans	-70	-40.8	-177.2	-163	-171.3	78.1	0	0	111.6	Q33 N376 P539 W540 Y545 K546 F597	Q33-M542 PolarHBondContact NE2-SD 3.38Å; N376-M542 HydrophobicContact CB-CG 4.29Å; N376-M542 WeakPolarHBondContact OD1-CB 3.47Å; P539-M542 PolarHBondContact O-N 3.31Å; P539-M542 VanDerWaalsContact O-N 3.08Å; W540-M542 PolarHBondContact O-N 3.09Å; M542-Y545 PolarHBondContact O-N 3.04Å; M542-K546 HydrophobicContact CE-CD 4.27Å; M542-K546 PolarHBondContact O-N 2.77Å; M542-K546 VanDerWaalsContact O-N 3.12Å; M542-F597 HydrophobicContact CE-CE1 4.23Å; M542-F597 HydrophobicContact CE-CE2 3.7Å; M542-F597 HydrophobicContact CE-CZ 3.3Å
543	L	62.6	Low	65.3	Low	6 Å²	6	44.1 Å²	44.1	3%	0.031	21%	0.206	C	C	.	.	H	α-helix	trans	-74.5	-36.6	-173.5	-69.7	161.3	0	0	0	112.1	D28 G29 L538 P539 W540 Y545 K546 A547	D28-L543 HydrophobicContact CB-CB 3.36Å; D28-L543 HydrophobicContact CB-CD1 3.66Å; D28-L543 HydrophobicContact CB-CD2 4.36Å; D28-L543 HydrophobicContact CB-CG 3.95Å; D28-L543 WeakPolarHBondContact OD2-CB 3.3Å; G29-L543 VanDerWaalsContact O-CD2 3.28Å; G29-L543 WeakPolarHBondContact O-CD2 3.39Å; L538-L543 HydrophobicContact CB-CD1 4Å; L538-L543 HydrophobicContact CD2-CD1 4.23Å; P539-L543 HydrophobicContact CG-CD1 4.23Å; P539-L543 PolarHBondContact O-N 3.26Å; W540-L543 PolarHBondContact O-N 2.79Å; L543-Y545 VanDerWaalsContact C-N 3.33Å; L543-Y545 PolarHBondContact O-N 3.33Å; L543-K546 PolarHBondContact O-N 3.44Å; L543-A547 WeakPolarHBondContact O-CB 3.41Å; L543-A547 PolarHBondContact O-N 3.1Å
544	T	66.3	Low	64.9	Low	54 Å²	54	39.9 Å²	39.9	33%	0.331	19%	0.189	S	C	.	.	H	α-helix	trans	-62.1	-37.8	170	-60.3	0	0	0	0	112.1	D28 W540 L548	D28-T544 PolarHBondContact OD2-N 3.39Å; W540-T544 WeakPolarHBondContact O-CB 3.46Å; W540-T544 PolarHBondContact O-N 3.44Å; W540-T544 PolarHBondContact O-OG1 3.12Å; W540-T544 VanDerWaalsContact O-OG1 3.05Å; T544-L548 HydrophobicContact CG2-CD1 4.01Å; T544-L548 HydrophobicContact CG2-CG 4.45Å; T544-L548 WeakPolarHBondContact O-CB 3.25Å; T544-L548 WeakPolarHBondContact O-CD1 3.3Å; T544-L548 WeakPolarHBondContact O-CG 3.43Å; T544-L548 PolarHBondContact O-N 3.09Å; T544-L548 VanDerWaalsContact O-N 3.07Å
545	Y	65.3	Low	64.9	Low	67 Å²	67	42.8 Å²	42.8	26%	0.263	20%	0.203	S	C	.	.	H	α-helix	trans	-65.3	-38.7	174.6	-58.7	-33.8	0	0	0	112.3	F369 L372 R541 M542 L543 N549	F369-Y545 HydrophobicContact CD1-CD1 4.09Å; F369-Y545 HydrophobicContact CE1-CD1 4.47Å; L372-Y545 HydrophobicContact CB-CD2 3.99Å; L372-Y545 HydrophobicContact CB-CE2 4.09Å; R541-Y545 HydrophobicContact CB-CE2 4.41Å; R541-Y545 WeakPolarHBondContact O-CD2 3.38Å; R541-Y545 VanDerWaalsContact O-CE2 3.3Å; R541-Y545 WeakPolarHBondContact O-CE2 3.49Å; R541-Y545 VanDerWaalsContact O-CG 3.23Å; R541-Y545 PolarHBondContact O-N 2.97Å; M542-Y545 PolarHBondContact O-N 3.04Å; L543-Y545 VanDerWaalsContact C-N 3.33Å; L543-Y545 PolarHBondContact O-N 3.33Å; Y545-N549 PolarHBondContact O-N 3.21Å
546	K	63.9	Low	64.5	Low	26 Å²	26	43.3 Å²	43.3	11%	0.113	21%	0.205	C	C	.	.	H	α-helix	trans	-69.4	-48.3	176.7	-70.1	-170.7	173.2	-161.4	0	112.7	E36 A373 M542 L543 L548 N549 T550	E36-K546 WeakPolarHBondContact OE2-CE 3.27Å; E36-K546 IonicContact OE2-NZ 3.67Å; E36-K546 PolarHBondContact OE2-NZ 2.97Å; A373-K546 HydrophobicContact CB-CG 4.3Å; M542-K546 HydrophobicContact CE-CD 4.27Å; M542-K546 PolarHBondContact O-N 2.77Å; M542-K546 VanDerWaalsContact O-N 3.12Å; L543-K546 PolarHBondContact O-N 3.44Å; K546-L548 VanDerWaalsContact C-N 3.26Å; K546-L548 PolarHBondContact O-N 3.19Å; K546-N549 WeakPolarHBondContact O-CA 3.41Å; K546-N549 WeakPolarHBondContact O-CB 3.41Å; K546-N549 PolarHBondContact O-N 3.47Å; K546-T550 PolarHBondContact O-N 3.14Å; K546-T550 PolarHBondContact O-OG1 2.97Å; K546-T550 VanDerWaalsContact O-OG1 3.12Å
547	A	68.4	Low	64.4	Low	22 Å²	22	43.5 Å²	43.5	18%	0.182	21%	0.206	C	C	.	.	H	α-helix	trans	-60.9	-35	178.1	0	0	0	0	0	112.6	L543 N549 F551 F577	L543-A547 WeakPolarHBondContact O-CB 3.41Å; L543-A547 PolarHBondContact O-N 3.1Å; A547-N549 VanDerWaalsContact C-N 3.35Å; A547-F551 WeakPolarHBondContact O-CB 3.37Å; A547-F551 PolarHBondContact O-N 3.41Å; A547-F577 HydrophobicContact CB-CE1 4.22Å; A547-F577 HydrophobicContact CB-CE2 3.84Å; A547-F577 HydrophobicContact CB-CZ 3.67Å
548	L	71.1	Confident	64.6	Low	71 Å²	71	48.6 Å²	48.6	37%	0.372	23%	0.228	S	C	.	.	H	α-helix	trans	-67.5	-32.8	172.3	-72.9	171.8	0	0	0	112.7	F369 T544 K546 I552	F369-L548 HydrophobicContact CD2-CB 4.03Å; F369-L548 HydrophobicContact CE2-CB 3.96Å; F369-L548 HydrophobicContact CE2-CD1 3.93Å; F369-L548 HydrophobicContact CZ-CD1 3.96Å; T544-L548 HydrophobicContact CG2-CD1 4.01Å; T544-L548 HydrophobicContact CG2-CG 4.45Å; T544-L548 WeakPolarHBondContact O-CB 3.25Å; T544-L548 WeakPolarHBondContact O-CD1 3.3Å; T544-L548 WeakPolarHBondContact O-CG 3.43Å; T544-L548 PolarHBondContact O-N 3.09Å; T544-L548 VanDerWaalsContact O-N 3.07Å; K546-L548 VanDerWaalsContact C-N 3.26Å; K546-L548 PolarHBondContact O-N 3.19Å; L548-I552 WeakPolarHBondContact O-CB 3.18Å; L548-I552 WeakPolarHBondContact O-CD1 3.42Å; L548-I552 WeakPolarHBondContact O-CG1 3.49Å; L548-I552 PolarHBondContact O-N 3.5Å
549	N	67.1	Low	64.6	Low	17 Å²	17	52.1 Å²	52.1	9%	0.091	25%	0.249	C	C	.	.	H	α-helix	trans	-67.2	-52.2	172.5	-74.8	-5.2	0	0	0	111.2	F369 E370 Y545 K546 A547 F551 I552 D553	F369-N549 WeakPolarHBondContact CB-OD1 3.41Å; E370-N549 PolarHBondContact N-ND2 3.09Å; Y545-N549 PolarHBondContact O-N 3.21Å; K546-N549 WeakPolarHBondContact O-CA 3.41Å; K546-N549 WeakPolarHBondContact O-CB 3.41Å; K546-N549 PolarHBondContact O-N 3.47Å; A547-N549 VanDerWaalsContact C-N 3.35Å; N549-F551 VanDerWaalsContact C-N 3.3Å; N549-F551 PolarHBondContact O-N 3.07Å; N549-I552 WeakPolarHBondContact O-CA 3.49Å; N549-I552 WeakPolarHBondContact O-CB 3.37Å; N549-I552 PolarHBondContact O-N 2.91Å; N549-D553 VanDerWaalsContact O-CG 3.24Å; N549-D553 PolarHBondContact O-N 3.02Å
550	T	67.9	Low	64.7	Low	20 Å²	20	52.2 Å²	52.2	12%	0.123	25%	0.248	C	C	.	.	H	α-helix	trans	-58.3	-42.3	-178.8	-38.1	0	0	0	0	111.7	K546 I552 D553 D554 D573 D574	K546-T550 PolarHBondContact O-N 3.14Å; K546-T550 PolarHBondContact O-OG1 2.97Å; K546-T550 VanDerWaalsContact O-OG1 3.12Å; T550-I552 VanDerWaalsContact C-N 3.35Å; T550-I552 PolarHBondContact O-N 3Å; T550-D553 PolarHBondContact O-N 3.29Å; T550-D553 VanDerWaalsContact O-N 3.16Å; T550-D554 PolarHBondContact O-N 3.47Å; T550-D573 HydrophobicContact CG2-CB 3.97Å; T550-D574 WeakPolarHBondContact CB-OD1 3.29Å; T550-D574 WeakPolarHBondContact CG2-OD1 3.48Å
551	F	69.8	Low	64.3	Low	124 Å²	124	57.7 Å²	57.7	54%	0.544	27%	0.274	S	S	.	.	H	α-helix	trans	-65.6	-33.8	176.1	-174.2	-100.3	0	0	0	113.7	A547 N549 L555	A547-F551 WeakPolarHBondContact O-CB 3.37Å; A547-F551 PolarHBondContact O-N 3.41Å; N549-F551 VanDerWaalsContact C-N 3.3Å; N549-F551 PolarHBondContact O-N 3.07Å; F551-L555 WeakPolarHBondContact O-CB 3.33Å; F551-L555 PolarHBondContact O-N 3.22Å; F551-L555 VanDerWaalsContact O-N 3.14Å
552	I	68.6	Low	63.7	Low	23 Å²	23	50.9 Å²	50.9	12%	0.118	25%	0.251	C	S	.	.	H	α-helix	trans	-67.2	-41.1	172.5	-77.3	167.4	0	0	0	110.5	V362 V365 H366 F369 L548 N549 T550 L555 F556	V362-I552 HydrophobicContact CG1-CB 4.36Å; V362-I552 HydrophobicContact CG1-CD1 4.32Å; V362-I552 HydrophobicContact CG1-CG1 4.09Å; V362-I552 HydrophobicContact CG1-CG2 3.44Å; V362-I552 VanDerWaalsContact CG1-CG2 3.44Å; V365-I552 HydrophobicContact CG1-CD1 4.3Å; H366-I552 HydrophobicContact CB-CG2 4.2Å; F369-I552 HydrophobicContact CD2-CD1 4.47Å; F369-I552 HydrophobicContact CE2-CD1 4.48Å; L548-I552 WeakPolarHBondContact O-CB 3.18Å; L548-I552 WeakPolarHBondContact O-CD1 3.42Å; L548-I552 WeakPolarHBondContact O-CG1 3.49Å; L548-I552 PolarHBondContact O-N 3.5Å; N549-I552 WeakPolarHBondContact O-CA 3.49Å; N549-I552 WeakPolarHBondContact O-CB 3.37Å; N549-I552 PolarHBondContact O-N 2.91Å; T550-I552 VanDerWaalsContact C-N 3.35Å; T550-I552 PolarHBondContact O-N 3Å; I552-L555 PolarHBondContact O-N 3.04Å; I552-F556 HydrophobicContact CG2-CD2 3.74Å; I552-F556 HydrophobicContact CG2-CE2 3.63Å; I552-F556 VanDerWaalsContact O-CD2 3.3Å; I552-F556 WeakPolarHBondContact O-CD2 3.47Å; I552-F556 PolarHBondContact O-N 3.43Å
553	D	66.4	Low	63.6	Low	31 Å²	31	54.5 Å²	54.5	17%	0.166	28%	0.275	C	S	.	.	H	α-helix	trans	-68.7	-39.8	-179.3	-61.6	-26.4	0	0	0	111.7	H366 N549 T550 F556 A557	H366-D553 IonicContact CE1-OD1 3.61Å; H366-D553 PolarHBondContact CE1-OD1 3.39Å; H366-D553 IonicContact CE1-OD2 3.63Å; H366-D553 PolarHBondContact CE1-OD2 3.5Å; H366-D553 VanDerWaalsContact CE1-OD2 3.3Å; H366-D553 IonicContact ND1-OD1 2.67Å; H366-D553 PolarHBondContact ND1-OD1 3.23Å; H366-D553 IonicContact ND1-OD2 3.7Å; N549-D553 VanDerWaalsContact O-CG 3.24Å; N549-D553 PolarHBondContact O-N 3.02Å; T550-D553 PolarHBondContact O-N 3.29Å; T550-D553 VanDerWaalsContact O-N 3.16Å; D553-F556 CarbonylContact O-C 3.59Å; D553-F556 PolarHBondContact O-N 3.16Å; D553-A557 WeakPolarHBondContact O-CB 3.15Å; D553-A557 PolarHBondContact O-N 3.21Å
554	D	68.8	Low	63.5	Low	16 Å²	16	60.8 Å²	60.8	9%	0.086	31%	0.305	C	S	.	.	H	α-helix	trans	-62.2	-44.1	172.5	-112.5	39.4	0	0	0	111.3	T550 F556 A557 F558 C570 L571	T550-D554 PolarHBondContact O-N 3.47Å; D554-F556 VanDerWaalsContact C-N 3.3Å; D554-F556 PolarHBondContact O-N 3.1Å; D554-A557 WeakPolarHBondContact O-CB 3.26Å; D554-A557 PolarHBondContact O-N 3.05Å; D554-A557 VanDerWaalsContact O-N 3.13Å; D554-F558 WeakPolarHBondContact O-CD2 3.2Å; D554-F558 PolarHBondContact O-N 2.89Å; D554-C570 VanDerWaalsContact OD1-C 3.22Å; D554-C570 WeakPolarHBondContact OD1-CB 3.38Å; D554-L571 PolarHBondContact OD1-N 2.97Å; D554-L571 VanDerWaalsContact OD1-N 3.14Å
555	L	70.4	Confident	63.2	Low	77 Å²	77	62.3 Å²	62.3	40%	0.403	31%	0.31	S	S	.	.	H	α-helix	trans	-60	-40.2	174.9	-175.8	142	0	0	0	111.7	F551 I552 V559	F551-L555 WeakPolarHBondContact O-CB 3.33Å; F551-L555 PolarHBondContact O-N 3.22Å; F551-L555 VanDerWaalsContact O-N 3.14Å; I552-L555 PolarHBondContact O-N 3.04Å; L555-V559 HydrophobicContact CD2-CG2 4.38Å; L555-V559 WeakPolarHBondContact O-CB 3.43Å; L555-V559 VanDerWaalsContact O-CG2 3.23Å; L555-V559 WeakPolarHBondContact O-CG2 3.41Å; L555-V559 PolarHBondContact O-N 3.23Å
556	F	63	Low	63	Low	11 Å²	11	62.6 Å²	62.6	5%	0.048	31%	0.311	C	S	.	.	H	α-helix	trans	-70	-36.6	172.9	-78.2	-52.9	0	0	0	113.4	T359 V362 S363 I552 D553 D554 F558 V559 I560 M562	T359-F556 HydrophobicContact CG2-CE1 3.84Å; T359-F556 HydrophobicContact CG2-CZ 4.13Å; V362-F556 HydrophobicContact CB-CE2 4.17Å; V362-F556 HydrophobicContact CB-CZ 3.74Å; V362-F556 HydrophobicContact CG1-CD2 4.5Å; V362-F556 HydrophobicContact CG1-CE2 3.52Å; V362-F556 HydrophobicContact CG1-CZ 3.58Å; S363-F556 VanDerWaalsContact OG-CE2 3.27Å; S363-F556 WeakPolarHBondContact OG-CE2 3.4Å; S363-F556 VanDerWaalsContact OG-CZ 3.23Å; S363-F556 WeakPolarHBondContact OG-CZ 3.47Å; I552-F556 HydrophobicContact CG2-CD2 3.74Å; I552-F556 HydrophobicContact CG2-CE2 3.63Å; I552-F556 VanDerWaalsContact O-CD2 3.3Å; I552-F556 WeakPolarHBondContact O-CD2 3.47Å; I552-F556 PolarHBondContact O-N 3.43Å; D553-F556 CarbonylContact O-C 3.59Å; D553-F556 PolarHBondContact O-N 3.16Å; D554-F556 VanDerWaalsContact C-N 3.3Å; D554-F556 PolarHBondContact O-N 3.1Å; F556-F558 PolarHBondContact O-N 3.05Å; F556-V559 PolarHBondContact O-N 3.42Å; F556-I560 HydrophobicContact CB-CD1 4.48Å; F556-I560 HydrophobicContact CD1-CD1 3.54Å; F556-I560 HydrophobicContact CD1-CG1 4.19Å; F556-I560 HydrophobicContact CE1-CD1 4.08Å; F556-I560 HydrophobicContact CG-CD1 4.32Å; F556-I560 WeakPolarHBondContact O-CA 3.08Å; F556-I560 WeakPolarHBondContact O-CB 3.47Å; F556-I560 PolarHBondContact O-N 2.91Å; F556-M562 HydrophobicContact CB-CE 3.78Å
557	A	61.7	Low	63.1	Low	4 Å²	4	66 Å²	66	3%	0.033	32%	0.323	C	S	.	.	H	α-helix	trans	-58.9	-36.5	176.1	0	0	0	0	0	111.6	D553 D554 M562 R567	D553-A557 WeakPolarHBondContact O-CB 3.15Å; D553-A557 PolarHBondContact O-N 3.21Å; D554-A557 WeakPolarHBondContact O-CB 3.26Å; D554-A557 PolarHBondContact O-N 3.05Å; D554-A557 VanDerWaalsContact O-N 3.13Å; A557-M562 HydrophobicContact CB-SD 4.32Å; A557-R567 HydrophobicContact CB-CG 4.16Å; A557-R567 PolarHBondContact O-NE 3.27Å; A557-R567 PolarHBondContact O-NH2 3.39Å
558	F	61.9	Low	63	Low	158 Å²	158	68.4 Å²	68.4	69%	0.693	33%	0.332	S	S	*	.	H	α-helix	trans	-78.8	-40.8	173.7	-72.7	-67.9	0	0	0	114	D554 F556	D554-F558 WeakPolarHBondContact O-CD2 3.2Å; D554-F558 PolarHBondContact O-N 2.89Å; F556-F558 PolarHBondContact O-N 3.05Å
559	V	58	Low	62.8	Low	78 Å²	78	65.5 Å²	65.5	47%	0.473	32%	0.319	S	S	.	.	H	α-helix	trans	-79.6	-33.3	-174.5	171.1	0	0	0	0	113.2	L355 L555 F556	L355-V559 HydrophobicContact CD1-CG1 3.83Å; L555-V559 HydrophobicContact CD2-CG2 4.38Å; L555-V559 WeakPolarHBondContact O-CB 3.43Å; L555-V559 VanDerWaalsContact O-CG2 3.23Å; L555-V559 WeakPolarHBondContact O-CG2 3.41Å; L555-V559 PolarHBondContact O-N 3.23Å; F556-V559 PolarHBondContact O-N 3.42Å
560	I	59.6	Low	62.7	Low	29 Å²	29	65.2 Å²	65.2	15%	0.149	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	146.3	-176.5	-57.8	-179.2	0	0	0	109.6	A48 T359 F556 M562 R567	A48-I560 HydrophobicContact CB-CG2 3.61Å; T359-I560 HydrophobicContact CG2-CD1 4.36Å; F556-I560 HydrophobicContact CB-CD1 4.48Å; F556-I560 HydrophobicContact CD1-CD1 3.54Å; F556-I560 HydrophobicContact CD1-CG1 4.19Å; F556-I560 HydrophobicContact CE1-CD1 4.08Å; F556-I560 HydrophobicContact CG-CD1 4.32Å; F556-I560 WeakPolarHBondContact O-CA 3.08Å; F556-I560 WeakPolarHBondContact O-CB 3.47Å; F556-I560 PolarHBondContact O-N 2.91Å; I560-M562 VanDerWaalsContact C-N 3.3Å; I560-M562 HydrophobicContact CB-CE 4.26Å; I560-M562 HydrophobicContact CB-CG 4.34Å; I560-M562 HydrophobicContact CD1-CE 4.47Å; I560-M562 HydrophobicContact CG2-CE 4.42Å; I560-M562 HydrophobicContact CG2-CG 4.2Å; I560-M562 PolarHBondContact O-N 2.81Å; I560-R567 PolarHBondContact O-NH2 2.98Å
561	K	49.1	Very low	62.7	Low	185 Å²	185	68.3 Å²	68.3	80%	0.804	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	83.1	173.2	-72	-173.8	178.6	179.5	0	110.5	A48	A48-K561 VanDerWaalsContact CB-O 3.31Å; A48-K561 WeakPolarHBondContact CB-O 3.35Å
562	M	48.3	Very low	62.9	Low	46 Å²	46	64.5 Å²	64.5	23%	0.227	32%	0.316	C	S	.	.			trans	-96.7	150.7	174.5	-65.4	177.6	169.8	0	0	111.5	F556 A557 I560 Y566 R567	F556-M562 HydrophobicContact CB-CE 3.78Å; A557-M562 HydrophobicContact CB-SD 4.32Å; I560-M562 VanDerWaalsContact C-N 3.3Å; I560-M562 HydrophobicContact CB-CE 4.26Å; I560-M562 HydrophobicContact CB-CG 4.34Å; I560-M562 HydrophobicContact CD1-CE 4.47Å; I560-M562 HydrophobicContact CG2-CE 4.42Å; I560-M562 HydrophobicContact CG2-CG 4.2Å; I560-M562 PolarHBondContact O-N 2.81Å; M562-Y566 HydrophobicContact CB-CD1 4.16Å; M562-Y566 HydrophobicContact CE-CE1 4.27Å; M562-Y566 HydrophobicContact CG-CD1 4.41Å; M562-Y566 HydrophobicContact SD-CD1 3.51Å; M562-Y566 VanDerWaalsContact SD-CD1 3.51Å; M562-Y566 HydrophobicContact SD-CE1 3.35Å; M562-Y566 WeakPolarHBondContact SD-CE1 3.44Å; M562-R567 HydrophobicContact CB-CG 4.46Å
563	P	57.4	Low	62.9	Low	80 Å²	80	65.1 Å²	65.1	52%	0.519	32%	0.319	S	S	.	.			trans	-54.8	142.2	173.6	-26.4	35.5	0	0	0	112.5	M565 Y566 R567	P563-M565 PolarHBondContact O-N 2.95Å; P563-M565 VanDerWaalsContact O-N 3.17Å; P563-Y566 WeakPolarHBondContact O-CB 3.08Å; P563-Y566 PolarHBondContact O-N 3.36Å; P563-R567 PolarHBondContact O-N 3.07Å
564	M	60.3	Low	63.3	Low	137 Å²	137	64.4 Å²	64.4	68%	0.675	32%	0.315	S	S	*	.	H	α-helix	trans	-61.3	-29.6	-173.7	-171.8	-95.7	-167	0	0	113.3	R567 I568	M564-R567 PolarHBondContact O-N 3.41Å; M564-I568 HydrophobicContact CE-CD1 3.63Å; M564-I568 HydrophobicContact CE-CG1 4.3Å; M564-I568 PolarHBondContact O-N 2.83Å; M564-I568 VanDerWaalsContact O-N 3.09Å; M564-I568 HydrophobicContact SD-CD1 3.53Å; M564-I568 VanDerWaalsContact SD-CD1 3.53Å; M564-I568 HydrophobicContact SD-CG1 4.16Å
565	M	60.6	Low	63.7	Low	86 Å²	86	67.1 Å²	67.1	42%	0.424	33%	0.333	S	S	.	.	H	α-helix	trans	-62.5	-40.7	174.9	-170.4	-179.9	-70.8	0	0	112.6	L515 P563 I568 G569	L515-M565 HydrophobicContact CD2-CG 3.61Å; L515-M565 HydrophobicContact CD2-SD 4.24Å; P563-M565 PolarHBondContact O-N 2.95Å; P563-M565 VanDerWaalsContact O-N 3.17Å; M565-I568 PolarHBondContact O-N 3.14Å; M565-G569 PolarHBondContact O-N 2.97Å; M565-G569 VanDerWaalsContact O-N 3.12Å
566	Y	61.2	Low	63.8	Low	74 Å²	74	64.4 Å²	64.4	29%	0.29	32%	0.319	S	S	.	.	H	α-helix	trans	-66.8	-42.5	175.2	-178	-95.2	0	0	0	111.4	M562 P563 I568 G569 C570	M562-Y566 HydrophobicContact CB-CD1 4.16Å; M562-Y566 HydrophobicContact CE-CE1 4.27Å; M562-Y566 HydrophobicContact CG-CD1 4.41Å; M562-Y566 HydrophobicContact SD-CD1 3.51Å; M562-Y566 VanDerWaalsContact SD-CD1 3.51Å; M562-Y566 HydrophobicContact SD-CE1 3.35Å; M562-Y566 WeakPolarHBondContact SD-CE1 3.44Å; P563-Y566 WeakPolarHBondContact O-CB 3.08Å; P563-Y566 PolarHBondContact O-N 3.36Å; Y566-I568 VanDerWaalsContact C-N 3.28Å; Y566-I568 PolarHBondContact O-N 2.98Å; Y566-G569 WeakPolarHBondContact O-CA 3.36Å; Y566-G569 PolarHBondContact O-N 3.01Å; Y566-C570 WeakPolarHBondContact CE1-SG 3.31Å; Y566-C570 PolarHBondContact O-N 3.12Å
567	R	65.3	Low	64.4	Low	98 Å²	98	66.1 Å²	66.1	37%	0.37	33%	0.327	S	S	.	.	H	α-helix	trans	-59.2	-36.3	176.9	-61.1	-175.4	156.6	174.4	-6.3	113.1	A557 I560 M562 P563 M564 L571	A557-R567 HydrophobicContact CB-CG 4.16Å; A557-R567 PolarHBondContact O-NE 3.27Å; A557-R567 PolarHBondContact O-NH2 3.39Å; I560-R567 PolarHBondContact O-NH2 2.98Å; M562-R567 HydrophobicContact CB-CG 4.46Å; P563-R567 PolarHBondContact O-N 3.07Å; M564-R567 PolarHBondContact O-N 3.41Å; R567-L571 VanDerWaalsContact O-CB 3.3Å; R567-L571 WeakPolarHBondContact O-CB 3.42Å; R567-L571 PolarHBondContact O-N 2.99Å
568	I	67.4	Low	65.1	Low	72 Å²	72	71.8 Å²	71.8	37%	0.369	35%	0.351	S	S	.	.	H	α-helix	trans	-68.7	-40.7	171.6	-70.4	177.8	0	0	0	110.6	M564 M565 Y566 R572	M564-I568 HydrophobicContact CE-CD1 3.63Å; M564-I568 HydrophobicContact CE-CG1 4.3Å; M564-I568 PolarHBondContact O-N 2.83Å; M564-I568 VanDerWaalsContact O-N 3.09Å; M564-I568 HydrophobicContact SD-CD1 3.53Å; M564-I568 VanDerWaalsContact SD-CD1 3.53Å; M564-I568 HydrophobicContact SD-CG1 4.16Å; M565-I568 PolarHBondContact O-N 3.14Å; Y566-I568 VanDerWaalsContact C-N 3.28Å; Y566-I568 PolarHBondContact O-N 2.98Å; I568-R572 WeakPolarHBondContact O-CB 3.42Å; I568-R572 PolarHBondContact O-N 3.06Å
569	G	66	Low	66	Low	10 Å²	10	67.9 Å²	67.9	10%	0.103	34%	0.336	C	S	.	.	H	α-helix	trans	-59.1	-43.4	-179.9	0	0	0	0	0	114.4	M565 Y566 R572	M565-G569 PolarHBondContact O-N 2.97Å; M565-G569 VanDerWaalsContact O-N 3.12Å; Y566-G569 WeakPolarHBondContact O-CA 3.36Å; Y566-G569 PolarHBondContact O-N 3.01Å; G569-R572 WeakPolarHBondContact O-CB 3.24Å
570	C	65.8	Low	66.7	Low	11 Å²	11	64.4 Å²	64.4	7%	0.074	32%	0.315	C	S	.	.	H	α-helix	trans	-72.4	-51.1	177.6	-55.1	0	0	0	0	111.5	D554 Y566 R572 D573 D574	D554-C570 VanDerWaalsContact OD1-C 3.22Å; D554-C570 WeakPolarHBondContact OD1-CB 3.38Å; Y566-C570 WeakPolarHBondContact CE1-SG 3.31Å; Y566-C570 PolarHBondContact O-N 3.12Å; C570-R572 PolarHBondContact O-N 3.03Å; C570-R572 VanDerWaalsContact O-N 3.09Å; C570-D573 PolarHBondContact O-N 2.67Å; C570-D574 PolarHBondContact O-N 2.92Å
571	L	67.8	Low	67.6	Low	85 Å²	85	65.2 Å²	65.2	45%	0.445	32%	0.319	S	S	.	.	H	α-helix	trans	-55.6	-33.3	178.7	-177.3	68.9	0	0	0	112.9	D554 R567 V575	D554-L571 PolarHBondContact OD1-N 2.97Å; D554-L571 VanDerWaalsContact OD1-N 3.14Å; R567-L571 VanDerWaalsContact O-CB 3.3Å; R567-L571 WeakPolarHBondContact O-CB 3.42Å; R567-L571 PolarHBondContact O-N 2.99Å; L571-V575 HydrophobicContact CG-CG2 4.46Å; L571-V575 WeakPolarHBondContact O-CB 3.45Å; L571-V575 VanDerWaalsContact O-CG2 3.25Å; L571-V575 WeakPolarHBondContact O-CG2 3.19Å; L571-V575 PolarHBondContact O-N 3.29Å
572	R	72.8	Confident	69.2	Low	44 Å²	44	63 Å²	63	17%	0.166	31%	0.306	C	S	.	.	H	α-helix	trans	-55.7	-47.9	175.2	177.7	-161.8	82	-161.8	-5.3	112	L515 F519 I568 G569 C570 V576	L515-R572 PolarHBondContact O-NH1 2.95Å; F519-R572 HydrophobicContact CB-CG 3.7Å; F519-R572 HydrophobicContact CD1-CG 4.35Å; F519-R572 HydrophobicContact CG-CG 4.5Å; I568-R572 WeakPolarHBondContact O-CB 3.42Å; I568-R572 PolarHBondContact O-N 3.06Å; G569-R572 WeakPolarHBondContact O-CB 3.24Å; C570-R572 PolarHBondContact O-N 3.03Å; C570-R572 VanDerWaalsContact O-N 3.09Å; R572-V576 WeakPolarHBondContact O-CG2 3.24Å; R572-V576 PolarHBondContact O-N 3.2Å; R572-V576 VanDerWaalsContact O-N 3.14Å
573	D	68.3	Low	70.6	Confident	35 Å²	35	61.6 Å²	61.6	19%	0.187	30%	0.3	C	S	.	.	H	α-helix	trans	-77.3	-37.8	-173.5	-69.3	-16.8	0	0	0	110.9	T550 C570 V575 V576 F577	T550-D573 HydrophobicContact CG2-CB 3.97Å; C570-D573 PolarHBondContact O-N 2.67Å; D573-V575 PolarHBondContact O-N 3.03Å; D573-V576 PolarHBondContact O-N 3.29Å; D573-F577 VanDerWaalsContact O-CB 3.3Å; D573-F577 WeakPolarHBondContact O-CB 3.38Å; D573-F577 PolarHBondContact O-N 3.33Å
574	D	74.8	Confident	71.4	Confident	16 Å²	16	60.1 Å²	60.1	9%	0.086	28%	0.284	C	S	.	.	H	α-helix	trans	-59.4	-44.7	170.1	-100.5	35.2	0	0	0	111.6	T550 C570 V576 F577 F578	T550-D574 WeakPolarHBondContact CB-OD1 3.29Å; T550-D574 WeakPolarHBondContact CG2-OD1 3.48Å; C570-D574 PolarHBondContact O-N 2.92Å; D574-V576 PolarHBondContact O-N 3.35Å; D574-F577 WeakPolarHBondContact O-CB 3.23Å; D574-F577 PolarHBondContact O-N 3.36Å; D574-F578 HydrophobicContact CB-CE2 4.39Å; D574-F578 WeakPolarHBondContact O-CD2 3.36Å; D574-F578 PolarHBondContact O-N 2.89Å
575	V	77.3	Confident	72.4	Confident	74 Å²	74	63 Å²	63	45%	0.448	29%	0.287	S	S	.	.	H	α-helix	trans	-61.4	-42.9	176.2	166.9	0	0	0	0	112	L571 D573 F577 F578 I579	L571-V575 HydrophobicContact CG-CG2 4.46Å; L571-V575 WeakPolarHBondContact O-CB 3.45Å; L571-V575 VanDerWaalsContact O-CG2 3.25Å; L571-V575 WeakPolarHBondContact O-CG2 3.19Å; L571-V575 PolarHBondContact O-N 3.29Å; D573-V575 PolarHBondContact O-N 3.03Å; V575-F577 VanDerWaalsContact C-N 3.34Å; V575-F578 PolarHBondContact O-N 2.84Å; V575-I579 HydrophobicContact CG1-CD1 3.98Å; V575-I579 VanDerWaalsContact O-CG1 3.29Å; V575-I579 WeakPolarHBondContact O-CG1 3.42Å; V575-I579 PolarHBondContact O-N 2.87Å
576	V	74.1	Confident	73.5	Confident	19 Å²	19	63.1 Å²	63.1	12%	0.115	29%	0.289	C	S	.	.	H	α-helix	trans	-64.2	-41.3	175.8	171.7	0	0	0	0	110.8	F519 M522 L526 R572 D573 D574 I579 Y580	F519-V576 HydrophobicContact CB-CG2 4.14Å; M522-V576 HydrophobicContact CB-CG1 3.84Å; M522-V576 HydrophobicContact CG-CG1 4.34Å; L526-V576 HydrophobicContact CD1-CG1 4.04Å; L526-V576 HydrophobicContact CD2-CG1 4.28Å; R572-V576 WeakPolarHBondContact O-CG2 3.24Å; R572-V576 PolarHBondContact O-N 3.2Å; R572-V576 VanDerWaalsContact O-N 3.14Å; D573-V576 PolarHBondContact O-N 3.29Å; D574-V576 PolarHBondContact O-N 3.35Å; V576-I579 PolarHBondContact O-N 3.2Å; V576-Y580 PolarHBondContact O-N 3.32Å
577	F	74.2	Confident	74.4	Confident	48 Å²	48	61 Å²	61	21%	0.211	28%	0.28	C	S	.	.	H	α-helix	trans	-59.7	-48.8	175.2	-177	-104.8	0	0	0	111.6	D28 A547 D573 D574 V575 I579 Y580 L581	D28-F577 HydrophobicContact CB-CE2 4.25Å; D28-F577 VanDerWaalsContact OD1-CE2 3.27Å; D28-F577 WeakPolarHBondContact OD1-CE2 3.42Å; D28-F577 VanDerWaalsContact OD1-CZ 3.27Å; D28-F577 WeakPolarHBondContact OD1-CZ 3.25Å; A547-F577 HydrophobicContact CB-CE1 4.22Å; A547-F577 HydrophobicContact CB-CE2 3.84Å; A547-F577 HydrophobicContact CB-CZ 3.67Å; D573-F577 VanDerWaalsContact O-CB 3.3Å; D573-F577 WeakPolarHBondContact O-CB 3.38Å; D573-F577 PolarHBondContact O-N 3.33Å; D574-F577 WeakPolarHBondContact O-CB 3.23Å; D574-F577 PolarHBondContact O-N 3.36Å; V575-F577 VanDerWaalsContact C-N 3.34Å; F577-I579 PolarHBondContact O-N 2.93Å; F577-Y580 CarbonylContact O-C 3.55Å; F577-Y580 WeakPolarHBondContact O-CA 3.28Å; F577-Y580 WeakPolarHBondContact O-CB 3.25Å; F577-Y580 PolarHBondContact O-N 3.02Å; F577-L581 HydrophobicContact CD1-CD1 4.21Å; F577-L581 HydrophobicContact CD1-CG 4.26Å; F577-L581 HydrophobicContact CE1-CD1 3.93Å; F577-L581 HydrophobicContact CE1-CD2 4.09Å; F577-L581 HydrophobicContact CE1-CG 4.08Å; F577-L581 HydrophobicContact CZ-CD2 4.08Å; F577-L581 HydrophobicContact CZ-CG 4.5Å; F577-L581 WeakPolarHBondContact O-CG 3.33Å; F577-L581 PolarHBondContact O-N 3.3Å
578	F	77.8	Confident	74.7	Confident	122 Å²	122	66.9 Å²	66.9	54%	0.535	30%	0.303	S	S	.	.	H	α-helix	trans	-61.3	-38.5	175.5	-77.8	-66.7	0	0	0	113.4	D574 V575 Y580 L581 Y582	D574-F578 HydrophobicContact CB-CE2 4.39Å; D574-F578 WeakPolarHBondContact O-CD2 3.36Å; D574-F578 PolarHBondContact O-N 2.89Å; V575-F578 PolarHBondContact O-N 2.84Å; F578-Y580 VanDerWaalsContact C-N 3.29Å; F578-Y580 PolarHBondContact O-N 3.19Å; F578-L581 HydrophobicContact CD1-CD1 3.71Å; F578-L581 HydrophobicContact CE1-CD1 4.01Å; F578-L581 WeakPolarHBondContact O-CB 3.34Å; F578-L581 PolarHBondContact O-N 3.08Å; F578-Y582 PolarHBondContact O-N 2.7Å; F578-Y582 VanDerWaalsContact O-N 3.07Å
579	I	79.8	Confident	74.9	Confident	77 Å²	77	66.3 Å²	66.3	40%	0.395	30%	0.302	S	S	.	.	H	α-helix	trans	-64.7	-37.9	174.1	-65.2	162.3	0	0	0	110.3	L526 V575 V576 F577 Y582 Q583	L526-I579 HydrophobicContact CD2-CB 4.01Å; L526-I579 HydrophobicContact CD2-CG2 3.55Å; L526-I579 HydrophobicContact CG-CG2 4.34Å; V575-I579 HydrophobicContact CG1-CD1 3.98Å; V575-I579 VanDerWaalsContact O-CG1 3.29Å; V575-I579 WeakPolarHBondContact O-CG1 3.42Å; V575-I579 PolarHBondContact O-N 2.87Å; V576-I579 PolarHBondContact O-N 3.2Å; F577-I579 PolarHBondContact O-N 2.93Å; I579-Y582 WeakPolarHBondContact O-CB 3.45Å; I579-Y582 PolarHBondContact O-N 3.18Å; I579-Q583 WeakPolarHBondContact O-CG 3.5Å; I579-Q583 PolarHBondContact O-N 3.13Å
580	Y	73.6	Confident	75	Confident	5 Å²	5	68.7 Å²	68.7	2%	0.02	31%	0.313	C	S	.	.	H	α-helix	trans	-67.9	-42.1	174.8	-161.4	-71.5	0	0	0	112.2	T27 G29 Q525 L526 N529 V535 L538 V576 F577 F578 Y582 Q583 R584	T27-Y580 HydrophobicContact CG2-CD1 3.56Å; T27-Y580 HydrophobicContact CG2-CE1 3.89Å; T27-Y580 WeakPolarHBondContact CG2-O 3.48Å; G29-Y580 VanDerWaalsContact CA-CZ 3.44Å; G29-Y580 VanDerWaalsContact N-CZ 3.29Å; G29-Y580 PolarHBondContact N-OH 3.05Å; Q525-Y580 HydrophobicContact CG-CE2 4.24Å; L526-Y580 HydrophobicContact CD1-CD2 4.14Å; N529-Y580 VanDerWaalsContact ND2-CE2 3.3Å; N529-Y580 WeakPolarHBondContact ND2-CE2 3.33Å; V535-Y580 HydrophobicContact CG1-CE1 3.88Å; V535-Y580 WeakPolarHBondContact CG1-OH 3.33Å; L538-Y580 HydrophobicContact CD1-CE1 4.29Å; L538-Y580 WeakPolarHBondContact CD1-OH 3.41Å; V576-Y580 PolarHBondContact O-N 3.32Å; F577-Y580 CarbonylContact O-C 3.55Å; F577-Y580 WeakPolarHBondContact O-CA 3.28Å; F577-Y580 WeakPolarHBondContact O-CB 3.25Å; F577-Y580 PolarHBondContact O-N 3.02Å; F578-Y580 VanDerWaalsContact C-N 3.29Å; F578-Y580 PolarHBondContact O-N 3.19Å; Y580-Y582 PolarHBondContact O-N 3.28Å; Y580-Q583 PolarHBondContact O-N 2.84Å; Y580-R584 PolarHBondContact O-N 3Å
581	L	77.8	Confident	75	Confident	45 Å²	45	71.3 Å²	71.3	24%	0.236	33%	0.329	C	S	.	.	H	α-helix	trans	-47.9	-50.4	170.9	-69	-173.7	0	0	0	110.8	T27 F577 F578 W585	T27-L581 VanDerWaalsContact CG2-CA 3.48Å; T27-L581 HydrophobicContact CG2-CD2 4.13Å; T27-L581 WeakPolarHBondContact O-CD2 3.34Å; F577-L581 HydrophobicContact CD1-CD1 4.21Å; F577-L581 HydrophobicContact CD1-CG 4.26Å; F577-L581 HydrophobicContact CE1-CD1 3.93Å; F577-L581 HydrophobicContact CE1-CD2 4.09Å; F577-L581 HydrophobicContact CE1-CG 4.08Å; F577-L581 HydrophobicContact CZ-CD2 4.08Å; F577-L581 HydrophobicContact CZ-CG 4.5Å; F577-L581 WeakPolarHBondContact O-CG 3.33Å; F577-L581 PolarHBondContact O-N 3.3Å; F578-L581 HydrophobicContact CD1-CD1 3.71Å; F578-L581 HydrophobicContact CE1-CD1 4.01Å; F578-L581 WeakPolarHBondContact O-CB 3.34Å; F578-L581 PolarHBondContact O-N 3.08Å; L581-W585 PolarHBondContact O-N 2.79Å
582	Y	82.1	Confident	74.7	Confident	138 Å²	138	72.6 Å²	72.6	54%	0.541	34%	0.337	S	S	.	.	H	α-helix	trans	-63.4	-40.2	177.9	-178.4	-103.9	0	0	0	112.9	F578 I579 Y580 R584 W585 I586	F578-Y582 PolarHBondContact O-N 2.7Å; F578-Y582 VanDerWaalsContact O-N 3.07Å; I579-Y582 WeakPolarHBondContact O-CB 3.45Å; I579-Y582 PolarHBondContact O-N 3.18Å; Y580-Y582 PolarHBondContact O-N 3.28Å; Y582-R584 PolarHBondContact O-N 2.95Å; Y582-W585 HydrophobicContact CD2-CE3 4.39Å; Y582-W585 HydrophobicContact CE2-CE3 4.17Å; Y582-W585 HydrophobicContact CE2-CZ3 4.32Å; Y582-W585 WeakPolarHBondContact O-CB 3.4Å; Y582-W585 PolarHBondContact O-N 3.27Å; Y582-I586 WeakPolarHBondContact O-CG2 3.38Å; Y582-I586 PolarHBondContact O-N 2.87Å; Y582-I586 VanDerWaalsContact O-N 3.16Å
583	Q	78.6	Confident	74.3	Confident	18 Å²	18	71.8 Å²	71.8	8%	0.084	33%	0.334	C	S	.	.	H	α-helix	trans	-63.2	-41.3	179.8	-76.7	-168.9	-7.6	0	0	113.9	L526 I579 Y580 W585 I586 Y587	L526-Q583 PolarHBondContact O-NE2 2.88Å; L526-Q583 PolarHBondContact O-OE1 2.89Å; I579-Q583 WeakPolarHBondContact O-CG 3.5Å; I579-Q583 PolarHBondContact O-N 3.13Å; Y580-Q583 PolarHBondContact O-N 2.84Å; Q583-W585 VanDerWaalsContact C-N 3.34Å; Q583-I586 WeakPolarHBondContact O-CG2 3.47Å; Q583-I586 PolarHBondContact O-N 3.45Å; Q583-Y587 HydrophobicContact CB-CD2 4.23Å; Q583-Y587 HydrophobicContact CB-CE2 4.38Å; Q583-Y587 HydrophobicContact CG-CE2 4.31Å; Q583-Y587 VanDerWaalsContact O-CB 3.27Å; Q583-Y587 WeakPolarHBondContact O-CB 3.24Å; Q583-Y587 WeakPolarHBondContact O-CD2 3.48Å; Q583-Y587 PolarHBondContact O-N 3.22Å
584	R	74.6	Confident	73.9	Confident	48 Å²	48	73 Å²	73	18%	0.181	34%	0.339	C	S	.	.	H	α-helix	trans	-78.1	-18.3	174.9	-174.7	171	161.7	-89.2	24.7	113.2	T26 T27 V535 Y580 Y582 V589	T26-R584 VanDerWaalsContact C-NH1 3.26Å; T26-R584 PolarHBondContact O-NH1 3.46Å; T26-R584 PolarHBondContact O-NH2 3.1Å; T27-R584 HydrophobicContact CG2-CB 3.29Å; T27-R584 HydrophobicContact CG2-CG 4.06Å; T27-R584 WeakPolarHBondContact OG1-CB 3.27Å; T27-R584 WeakPolarHBondContact OG1-CD 3.35Å; T27-R584 PolarHBondContact OG1-NH1 3.26Å; V535-R584 HydrophobicContact CB-CB 4.27Å; V535-R584 HydrophobicContact CB-CG 4.29Å; V535-R584 HydrophobicContact CG1-CB 4.22Å; V535-R584 HydrophobicContact CG1-CG 4.28Å; V535-R584 HydrophobicContact CG2-CB 3.98Å; Y580-R584 PolarHBondContact O-N 3Å; Y582-R584 PolarHBondContact O-N 2.95Å; R584-V589 HydrophobicContact CG-CG2 3.72Å
585	W	80	Confident	73.1	Confident	199 Å²	199	72.3 Å²	72.3	75%	0.754	34%	0.335	S	S	*	.	H	α-helix	trans	-68.4	-38.7	170.3	-179.5	78.6	0	0	0	111.3	L581 Y582 Q583	L581-W585 PolarHBondContact O-N 2.79Å; Y582-W585 HydrophobicContact CD2-CE3 4.39Å; Y582-W585 HydrophobicContact CE2-CE3 4.17Å; Y582-W585 HydrophobicContact CE2-CZ3 4.32Å; Y582-W585 WeakPolarHBondContact O-CB 3.4Å; Y582-W585 PolarHBondContact O-N 3.27Å; Q583-W585 VanDerWaalsContact C-N 3.34Å
586	I	83.9	Confident	71.9	Confident	88 Å²	88	70.4 Å²	70.4	45%	0.451	32%	0.321	S	S	.	.	H	α-helix	trans	-89.5	-25	179.4	-164.2	168.2	0	0	0	114.4	Y582 Q583	Y582-I586 WeakPolarHBondContact O-CG2 3.38Å; Y582-I586 PolarHBondContact O-N 2.87Å; Y582-I586 VanDerWaalsContact O-N 3.16Å; Q583-I586 WeakPolarHBondContact O-CG2 3.47Å; Q583-I586 PolarHBondContact O-N 3.45Å
587	Y	80.9	Confident	70.8	Confident	29 Å²	29	69.7 Å²	69.7	11%	0.114	32%	0.317	C	S	.	.	S	Bend	trans	-111.3	138.8	-179	-57.1	-39.8	0	0	0	112.7	Y530 K533 Q583	Y530-Y587 VanDerWaalsContact CD2-OH 3.25Å; Y530-Y587 WeakPolarHBondContact CD2-OH 3.26Å; K533-Y587 HydrophobicContact CB-CD1 4.22Å; K533-Y587 HydrophobicContact CB-CE1 4.35Å; K533-Y587 HydrophobicContact CD-CD1 4.01Å; K533-Y587 HydrophobicContact CD-CE1 3.3Å; K533-Y587 HydrophobicContact CG-CE1 4.44Å; K533-Y587 PolarHBondContact NZ-OH 2.9Å; K533-Y587 WeakPolarHBondContact O-CB 3.26Å; Q583-Y587 HydrophobicContact CB-CD2 4.23Å; Q583-Y587 HydrophobicContact CB-CE2 4.38Å; Q583-Y587 HydrophobicContact CG-CE2 4.31Å; Q583-Y587 VanDerWaalsContact O-CB 3.27Å; Q583-Y587 WeakPolarHBondContact O-CB 3.24Å; Q583-Y587 WeakPolarHBondContact O-CD2 3.48Å; Q583-Y587 PolarHBondContact O-N 3.22Å
588	R	72.3	Confident	69.9	Low	222 Å²	222	67.4 Å²	67.4	84%	0.838	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.4	141.9	177.8	-74.5	-177.1	170.3	177.8	-3.6	111.3	S534 V535 D590	S534-R588 WeakPolarHBondContact CA-O 3.13Å; V535-R588 PolarHBondContact N-O 2.97Å; V535-R588 VanDerWaalsContact N-O 3.09Å; R588-D590 PolarHBondContact O-N 3.31Å
589	V	70.6	Confident	68.7	Low	60 Å²	60	62.7 Å²	62.7	36%	0.364	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	126.1	168.8	-176.2	0	0	0	0	108.4	V535 R584	V535-V589 CarbonylContact O-C 3.6Å; V535-V589 VanDerWaalsContact O-CA 3.29Å; V535-V589 WeakPolarHBondContact O-CA 3.48Å; R584-V589 HydrophobicContact CG-CG2 3.72Å
590	D	69.1	Low	67.6	Low	60 Å²	60	59.3 Å²	59.3	32%	0.321	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	110.1	176.3	-175.6	-16.2	0	0	0	109.2	V535 R588 N592 R593	V535-D590 PolarHBondContact O-N 3.22Å; R588-D590 PolarHBondContact O-N 3.31Å; D590-N592 VanDerWaalsContact C-N 3.3Å; D590-N592 PolarHBondContact O-N 3.43Å; D590-N592 PolarHBondContact OD1-N 3.03Å; D590-R593 HydrophobicContact CB-CB 3.81Å; D590-R593 PolarHBondContact OD1-N 3.24Å
591	P	64	Low	66.7	Low	65 Å²	65	59.3 Å²	59.3	42%	0.422	27%	0.273	S	S	.	.	S	Bend	trans	-71	-22.5	-179.9	-17.6	32.3	0	0	0	113.7	G601	P591-G601 PolarHBondContact O-N 2.85Å
592	N	61.8	Low	65.7	Low	113 Å²	113	61.5 Å²	61.5	60%	0.604	28%	0.284	S	S	*	.	S	Bend	trans	-87.5	-22.2	-178.3	-68.1	-2.1	0	0	0	111.6	D590 M594 L602	D590-N592 VanDerWaalsContact C-N 3.3Å; D590-N592 PolarHBondContact O-N 3.43Å; D590-N592 PolarHBondContact OD1-N 3.03Å; N592-M594 PolarHBondContact O-N 3.33Å; N592-L602 WeakPolarHBondContact OD1-CD1 3.37Å
593	R	64.8	Low	64.3	Low	27 Å²	27	57.6 Å²	57.6	10%	0.102	27%	0.273	C	S	.	.	S	Bend	trans	-68.6	115.2	174.2	-180	173.8	168.9	-157.2	-13.9	110.1	N529 S534 A536 D590 N595	N529-R593 PolarHBondContact OD1-NH1 3.43Å; N529-R593 VanDerWaalsContact OD1-NH1 3.1Å; N529-R593 PolarHBondContact OD1-NH2 2.97Å; S534-R593 VanDerWaalsContact C-NH1 3.33Å; S534-R593 PolarHBondContact O-NH1 2.94Å; S534-R593 PolarHBondContact OG-NH1 3.38Å; A536-R593 HydrophobicContact CB-CB 4.49Å; A536-R593 HydrophobicContact CB-CG 4.03Å; D590-R593 HydrophobicContact CB-CB 3.81Å; D590-R593 PolarHBondContact OD1-N 3.24Å; R593-N595 PolarHBondContact O-N 3.36Å
594	M	59.1	Low	63.1	Low	59 Å²	59	60.4 Å²	60.4	29%	0.291	29%	0.286	S	S	.	.			trans	-50.9	126.6	163.9	-61.4	-59	-174.4	0	0	109.1	E388 N592	E388-M594 HydrophobicContact CG-CG 4.48Å; N592-M594 PolarHBondContact O-N 3.33Å
595	N	58.7	Low	62	Low	3 Å²	3	62.1 Å²	62.1	2%	0.016	30%	0.302	C	S	.	.			trans	-71.8	179.6	167.7	74.2	16.5	0	0	0	110.6	Q30 A536 H537 L538 R593 F597 G598 T599	Q30-N595 PolarHBondContact OE1-OD1 2.87Å; A536-N595 VanDerWaalsContact CB-CA 3.48Å; A536-N595 HydrophobicContact CB-CB 3.54Å; H537-N595 VanDerWaalsContact O-CB 3.24Å; H537-N595 WeakPolarHBondContact O-CB 3.21Å; H537-N595 PolarHBondContact O-ND2 2.98Å; L538-N595 HydrophobicContact CD2-CB 4.5Å; R593-N595 PolarHBondContact O-N 3.36Å; N595-F597 PolarHBondContact O-N 3.32Å; N595-F597 WeakPolarHBondContact OD1-CA 3.11Å; N595-F597 VanDerWaalsContact OD1-CB 3.24Å; N595-F597 WeakPolarHBondContact OD1-CB 3.46Å; N595-F597 PolarHBondContact OD1-N 2.88Å; N595-G598 VanDerWaalsContact O-CA 3.27Å; N595-G598 WeakPolarHBondContact O-CA 3.4Å; N595-G598 PolarHBondContact O-N 3.49Å; N595-G598 PolarHBondContact OD1-N 2.91Å; N595-T599 PolarHBondContact N-O 3.49Å; N595-T599 PolarHBondContact ND2-O 2.96Å; N595-T599 PolarHBondContact OD1-N 3.33Å; N595-T599 PolarHBondContact OD1-O 3.22Å
596	E	52.8	Low	60.5	Low	33 Å²	33	59.2 Å²	59.2	15%	0.154	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-5.6	-177	0.3	164.3	-166.1	0	0	111.5	Q30 L390 Q525	Q30-E596 HydrophobicContact CB-CG 3.75Å; Q30-E596 WeakPolarHBondContact CB-OE1 3.33Å; Q30-E596 HydrophobicContact CG-CG 4.3Å; Q30-E596 PolarHBondContact NE2-O 3.45Å; L390-E596 VanDerWaalsContact CD1-O 3.31Å; L390-E596 WeakPolarHBondContact CD1-O 3.37Å; Q525-E596 VanDerWaalsContact CD-OE2 3.3Å; Q525-E596 HydrophobicContact CG-CG 4.47Å; Q525-E596 WeakPolarHBondContact CG-OE1 3.25Å; Q525-E596 WeakPolarHBondContact CG-OE2 3.47Å; Q525-E596 PolarHBondContact NE2-OE1 3.46Å
597	F	51.4	Low	58.7	Low	5 Å²	5	60.3 Å²	60.3	2%	0.022	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	3.6	163.2	-66.4	-43.6	0	0	0	110.8	Q30 Q33 F380 R384 P539 M542 N595 T599	Q30-F597 HydrophobicContact CB-CE2 4.46Å; Q30-F597 VanDerWaalsContact CD-N 3.32Å; Q30-F597 HydrophobicContact CG-CD1 4.36Å; Q30-F597 HydrophobicContact CG-CD2 3.35Å; Q30-F597 HydrophobicContact CG-CE1 4.06Å; Q30-F597 HydrophobicContact CG-CE2 3.02Å; Q30-F597 HydrophobicContact CG-CG 4.01Å; Q30-F597 HydrophobicContact CG-CZ 3.38Å; Q33-F597 HydrophobicContact CB-CE1 4.07Å; Q33-F597 HydrophobicContact CG-CE1 3.97Å; Q33-F597 HydrophobicContact CG-CZ 4.44Å; F380-F597 HydrophobicContact CE1-CB 4.48Å; F380-F597 HydrophobicContact CE1-CD1 4.34Å; F380-F597 HydrophobicContact CE2-CB 3.75Å; F380-F597 HydrophobicContact CE2-CG 4.39Å; F380-F597 HydrophobicContact CZ-CB 3.57Å; F380-F597 HydrophobicContact CZ-CD1 4.23Å; F380-F597 HydrophobicContact CZ-CG 4.14Å; F380-F597 WeakPolarHBondContact CZ-O 3.06Å; R384-F597 PolarHBondContact NH1-O 3.38Å; P539-F597 HydrophobicContact CG-CD2 3.41Å; P539-F597 VanDerWaalsContact CG-CD2 3.41Å; P539-F597 HydrophobicContact CG-CE2 3.46Å; P539-F597 VanDerWaalsContact CG-CE2 3.46Å; M542-F597 HydrophobicContact CE-CE1 4.23Å; M542-F597 HydrophobicContact CE-CE2 3.7Å; M542-F597 HydrophobicContact CE-CZ 3.3Å; N595-F597 PolarHBondContact O-N 3.32Å; N595-F597 WeakPolarHBondContact OD1-CA 3.11Å; N595-F597 VanDerWaalsContact OD1-CB 3.24Å; N595-F597 WeakPolarHBondContact OD1-CB 3.46Å; N595-F597 PolarHBondContact OD1-N 2.88Å; F597-T599 VanDerWaalsContact C-N 3.29Å; F597-T599 PolarHBondContact O-N 3.36Å
598	G	54.6	Low	57	Low	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.321	C	S	.	.	S	Bend	trans	73.1	2.4	-175.4	0	0	0	0	0	116.6	R384 E388 N595	R384-G598 VanDerWaalsContact CZ-C 3.46Å; R384-G598 VanDerWaalsContact NH1-C 3.35Å; R384-G598 PolarHBondContact NH2-O 2.83Å; E388-G598 WeakPolarHBondContact O-CA 3.13Å; N595-G598 VanDerWaalsContact O-CA 3.27Å; N595-G598 WeakPolarHBondContact O-CA 3.4Å; N595-G598 PolarHBondContact O-N 3.49Å; N595-G598 PolarHBondContact OD1-N 2.91Å
599	T	51.3	Low	55.4	Low	22 Å²	22	56.5 Å²	56.5	14%	0.135	31%	0.305	C	S	.	.			trans	-83.4	130.5	-179	-39.7	0	0	0	0	111.1	R384 N595 F597 D603	R384-T599 PolarHBondContact NH1-OG1 3.12Å; N595-T599 PolarHBondContact N-O 3.49Å; N595-T599 PolarHBondContact ND2-O 2.96Å; N595-T599 PolarHBondContact OD1-N 3.33Å; N595-T599 PolarHBondContact OD1-O 3.22Å; F597-T599 VanDerWaalsContact C-N 3.29Å; F597-T599 PolarHBondContact O-N 3.36Å; T599-D603 HydrophobicContact CG2-CB 4.45Å
600	S	56.9	Low	53.9	Low	6 Å²	6	57 Å²	57	4%	0.042	32%	0.315	C	S	.	.			trans	-90.4	164.9	165.1	74.7	0	0	0	0	111.3	L602 D603	S600-L602 PolarHBondContact O-N 3.5Å; S600-L602 PolarHBondContact OG-N 3.11Å; S600-D603 WeakPolarHBondContact CB-OD2 3.37Å; S600-D603 PolarHBondContact N-OD2 3.26Å; S600-D603 PolarHBondContact OG-N 3.37Å; S600-D603 PolarHBondContact OG-OD2 3.27Å
601	G	55.5	Low	52.4	Low	6 Å²	6	62 Å²	62	6%	0.062	34%	0.336	C	S	.	.	H	α-helix	trans	-68.3	-20.9	170.5	0	0	0	0	0	113.1	H537 P591 T605	H537-G601 VanDerWaalsContact CG-CA 3.46Å; P591-G601 PolarHBondContact O-N 2.85Å; G601-T605 PolarHBondContact O-N 3.15Å; G601-T605 PolarHBondContact O-OG1 2.82Å
602	L	55.9	Low	50.9	Low	91 Å²	91	64 Å²	64	48%	0.476	35%	0.347	S	S	.	.	H	α-helix	trans	-73.2	-43.5	179	-58.7	179.2	0	0	0	111.7	N592 S600 H604 T605 Q606	N592-L602 WeakPolarHBondContact OD1-CD1 3.37Å; S600-L602 PolarHBondContact O-N 3.5Å; S600-L602 PolarHBondContact OG-N 3.11Å; L602-H604 VanDerWaalsContact C-N 3.26Å; L602-H604 PolarHBondContact O-N 2.89Å; L602-T605 WeakPolarHBondContact O-CB 3.47Å; L602-T605 PolarHBondContact O-N 3.28Å; L602-Q606 PolarHBondContact O-N 3.44Å
603	D	54.5	Low	49.4	Very low	56 Å²	56	63.6 Å²	63.6	30%	0.299	35%	0.349	S	S	.	.	H	α-helix	trans	-58.2	-41.3	178.7	-54.1	-53	0	0	0	111.5	T599 S600 T605 Q606 N607	T599-D603 HydrophobicContact CG2-CB 4.45Å; S600-D603 WeakPolarHBondContact CB-OD2 3.37Å; S600-D603 PolarHBondContact N-OD2 3.26Å; S600-D603 PolarHBondContact OG-N 3.37Å; S600-D603 PolarHBondContact OG-OD2 3.27Å; D603-T605 VanDerWaalsContact C-N 3.28Å; D603-T605 PolarHBondContact O-N 3.1Å; D603-Q606 PolarHBondContact O-N 2.87Å; D603-N607 PolarHBondContact O-N 3.16Å; D603-N607 VanDerWaalsContact O-N 3.14Å
604	H	52.2	Low	47.9	Very low	76 Å²	76	67.4 Å²	67.4	35%	0.352	38%	0.377	S	S	.	.	H	α-helix	trans	-70.1	-28	-179.9	-141.9	-43.7	0	0	0	112.6	H537 L602 N608	H537-H604 AromaticContact CE1-CD2 3.92Å; L602-H604 VanDerWaalsContact C-N 3.26Å; L602-H604 PolarHBondContact O-N 2.89Å; H604-N608 VanDerWaalsContact O-CG 3.32Å; H604-N608 PolarHBondContact O-N 3.41Å
605	T	51.3	Low	46.7	Very low	84 Å²	84	69.1 Å²	69.1	52%	0.515	40%	0.401	S	S	.	.	H	α-helix	trans	-75.8	-40.5	175.8	-53.7	0	0	0	0	110.8	G601 L602 D603 N608 T609	G601-T605 PolarHBondContact O-N 3.15Å; G601-T605 PolarHBondContact O-OG1 2.82Å; L602-T605 WeakPolarHBondContact O-CB 3.47Å; L602-T605 PolarHBondContact O-N 3.28Å; D603-T605 VanDerWaalsContact C-N 3.28Å; D603-T605 PolarHBondContact O-N 3.1Å; T605-N608 PolarHBondContact O-N 3.18Å; T605-T609 PolarHBondContact O-N 3.32Å; T605-T609 VanDerWaalsContact O-N 3.08Å; T605-T609 PolarHBondContact O-OG1 3.25Å
606	Q	48.6	Very low	45.5	Very low	138 Å²	138	75 Å²	75	65%	0.645	44%	0.437	S	S	*	.	H	α-helix	trans	-63.3	-45.3	176	-72.8	-173.2	-4.4	0	0	112	L602 D603 N608 T609 A610	L602-Q606 PolarHBondContact O-N 3.44Å; D603-Q606 PolarHBondContact O-N 2.87Å; Q606-N608 PolarHBondContact O-N 2.81Å; Q606-T609 PolarHBondContact O-N 3.14Å; Q606-T609 VanDerWaalsContact O-N 3.1Å; Q606-A610 PolarHBondContact O-N 3.35Å
607	N	47.2	Very low	44.5	Very low	111 Å²	111	79.4 Å²	79.4	59%	0.594	47%	0.466	S	S	*	.	H	α-helix	trans	-60	-43.7	177.3	-79.3	-15.6	0	0	0	112.7	D603 T609 A610 E611	D603-N607 PolarHBondContact O-N 3.16Å; D603-N607 VanDerWaalsContact O-N 3.14Å; N607-T609 VanDerWaalsContact C-N 3.27Å; N607-T609 PolarHBondContact O-N 2.97Å; N607-A610 PolarHBondContact O-N 3.03Å; N607-E611 PolarHBondContact O-N 3.32Å; N607-E611 VanDerWaalsContact O-N 3.17Å
608	N	43.6	Very low	43.5	Very low	91 Å²	91	86.7 Å²	86.7	49%	0.487	51%	0.505	S	S	.	.	H	α-helix	trans	-65.7	-29.1	176.3	-70.7	-3.7	0	0	0	112.8	H604 T605 Q606 T612	H604-N608 VanDerWaalsContact O-CG 3.32Å; H604-N608 PolarHBondContact O-N 3.41Å; T605-N608 PolarHBondContact O-N 3.18Å; Q606-N608 PolarHBondContact O-N 2.81Å; N608-T612 PolarHBondContact O-OG1 2.95Å
609	T	40	Very low	42.3	Very low	81 Å²	81	95.6 Å²	95.6	50%	0.497	54%	0.544	S	S	.	.	H	α-helix	trans	-78	-35	178.2	-47.8	0	0	0	0	111.3	T605 Q606 N607 T612 T613	T605-T609 PolarHBondContact O-N 3.32Å; T605-T609 VanDerWaalsContact O-N 3.08Å; T605-T609 PolarHBondContact O-OG1 3.25Å; Q606-T609 PolarHBondContact O-N 3.14Å; Q606-T609 VanDerWaalsContact O-N 3.1Å; N607-T609 VanDerWaalsContact C-N 3.27Å; N607-T609 PolarHBondContact O-N 2.97Å; T609-T612 WeakPolarHBondContact CA-OG1 3.24Å; T609-T612 PolarHBondContact O-N 2.92Å; T609-T612 PolarHBondContact O-OG1 3.47Å; T609-T613 PolarHBondContact O-N 3.4Å; T609-T613 PolarHBondContact O-OG1 3.03Å; T609-T613 VanDerWaalsContact O-OG1 3.11Å
610	A	39.1	Very low	41.4	Very low	69 Å²	69	100.6 Å²	100.6	57%	0.57	58%	0.576	S	S	*	*	H	α-helix	trans	-67.6	-34.1	174.6	0	0	0	0	0	112.8	Q606 N607 T612	Q606-A610 PolarHBondContact O-N 3.35Å; N607-A610 PolarHBondContact O-N 3.03Å; A610-T612 VanDerWaalsContact C-N 3.26Å; A610-T612 PolarHBondContact O-N 3.01Å
611	E	36.9	Very low	40.1	Very low	167 Å²	167	109.7 Å²	109.7	78%	0.78	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	-14.7	173.7	-71.9	-173.1	161.3	0	0	113.8	N607	N607-E611 PolarHBondContact O-N 3.32Å; N607-E611 VanDerWaalsContact O-N 3.17Å
612	T	32.8	Very low	38.9	Very low	105 Å²	105	112.8 Å²	112.8	64%	0.644	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.2	2.4	-176.8	38.8	0	0	0	0	114.6	N608 T609 A610 P614	N608-T612 PolarHBondContact O-OG1 2.95Å; T609-T612 WeakPolarHBondContact CA-OG1 3.24Å; T609-T612 PolarHBondContact O-N 2.92Å; T609-T612 PolarHBondContact O-OG1 3.47Å; A610-T612 VanDerWaalsContact C-N 3.26Å; A610-T612 PolarHBondContact O-N 3.01Å; T612-P614 VanDerWaalsContact O-CD 3.31Å; T612-P614 WeakPolarHBondContact O-CD 3.29Å
613	T	29.8	Very low	37.8	Very low	105 Å²	105	117.4 Å²	117.4	64%	0.644	67%	0.67	S	S	*	*			trans	-101.8	100.4	171.6	11.6	0	0	0	0	110.6	T609 A615	T609-T613 PolarHBondContact O-N 3.4Å; T609-T613 PolarHBondContact O-OG1 3.03Å; T609-T613 VanDerWaalsContact O-OG1 3.11Å; T613-A615 PolarHBondContact O-N 3.05Å
614	P	33	Very low	36.7	Very low	108 Å²	108	124.8 Å²	124.8	70%	0.701	70%	0.699	S	S	*	*			trans	-64.4	136.2	170.1	28.2	-33.5	0	0	0	109.2	T612 V616	T612-P614 VanDerWaalsContact O-CD 3.31Å; T612-P614 WeakPolarHBondContact O-CD 3.29Å; P614-V616 PolarHBondContact O-N 3.22Å
615	A	34.7	Very low	35.8	Very low	95 Å²	95	129.6 Å²	129.6	79%	0.785	72%	0.719	S	S	*	*			trans	-64.2	96.9	179.3	0	0	0	0	0	110.9	T613 T617	T613-A615 PolarHBondContact O-N 3.05Å; A615-T617 PolarHBondContact O-N 3.37Å
616	V	33.2	Very low	34.9	Very low	126 Å²	126	133.1 Å²	133.1	76%	0.764	74%	0.735	S	S	*	*			trans	-65.8	115.2	168.1	178.4	0	0	0	0	107.3	P614 D618	P614-V616 PolarHBondContact O-N 3.22Å; V616-D618 PolarHBondContact O-N 3.38Å
617	T	32.1	Very low	34.1	Very low	125 Å²	125	137.6 Å²	137.6	77%	0.767	76%	0.763	S	S	*	*			trans	-89	97.5	-178.5	9.7	0	0	0	0	108.5	A615 K619	A615-T617 PolarHBondContact O-N 3.37Å; T617-K619 PolarHBondContact O-N 3.36Å
618	D	30.7	Very low	33.4	Very low	158 Å²	158	138.9 Å²	138.9	85%	0.845	77%	0.771	S	S	*	*			trans	-66.3	101.2	167.5	-79.3	-27.5	0	0	0	109.4	V616	V616-D618 PolarHBondContact O-N 3.38Å
619	K	28.7	Very low	32.9	Very low	188 Å²	188	141.4 Å²	141.4	82%	0.817	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-83.7	141.9	162.2	-91.6	-178.8	172.6	177.2	0	108.9	T617	T617-K619 PolarHBondContact O-N 3.36Å
620	P	31.7	Very low	32.5	Very low	126 Å²	126	144.8 Å²	144.8	82%	0.818	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-70.9	133.9	179.9	29.8	-34.3	0	0	0	111
621	E	30.6	Very low	32.1	Very low	197 Å²	197	149.2 Å²	149.2	92%	0.921	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-70.8	132.1	167.6	-71.5	-166.7	130.6	0	0	110.4
622	G	31.3	Very low	31.8	Very low	72 Å²	72	148.1 Å²	148.1	74%	0.742	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-85.2	151.3	-179.4	0	0	0	0	0	113.1
623	E	32.1	Very low	31.7	Very low	188 Å²	188	151 Å²	151	88%	0.879	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-48.8	140.1	177.4	-60.6	167.9	110.5	0	0	114
624	K	31.5	Very low	31.8	Very low	210 Å²	210	154.3 Å²	154.3	91%	0.913	84%	0.843	S	S	*	*			trans	-121.6	115.6	146.5	-80.8	-173.5	176.9	177.4	0	109.4
625	K	32.5	Very low	31.8	Very low	178 Å²	178	157.8 Å²	157.8	77%	0.774	85%	0.854	S	S	*	*			trans	-60.7	143.9	162.6	-73	-179.1	169.3	-173.4	0	110.5
626	N	33.3	Very low	31.5	Very low	158 Å²	158	163.1 Å²	163.1	85%	0.845	86%	0.86	S	S	*	*			trans	-130.9	137	134.6	-86.8	-19.5	0	0	0	106.2
627	D	30.6	Very low	31.4	Very low	231 Å²	231	166.5 Å²	166.5	100%	1.235	87%	0.869	S	S	*	*			trans	59.7	0	-178.4	-54.3	-25.5	0	0	0	117.5

Retrieved 627 of 627 residues in 589.2 ms (Link to these results)

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