A0A087XDH1_POEFO Loading...

Mitochondrial-processing peptidase subunit beta

Catalytic subunit of the essential mitochondrial processing protease (MPP), which cleaves the mitochondrial sequence off newly imported precursors proteins. Preferentially, cleaves after an arginine at position P2. Required for PINK1 turnover by coupling PINK1 mitochondrial import and cleavage, which results in subsequent PINK1 proteolysis.

AlphaFold DB , UniProt , Accession A0A087XDH1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 483 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	35.7	Very low	28.3	Very low	238 Å²	238	133.4 Å²	133.4	100%	1.172	83%	0.832	S	S	*	*				0	98.7	0	-58.8	-167.5	-79	0	0	105.9
2	A	25.6	Very low	28.4	Very low	97 Å²	97	134.4 Å²	134.4	80%	0.802	84%	0.836	S	S	*	*				67.5	97.8	79.7	0	0	0	0	0	110.2
3	A	27.6	Very low	28.2	Very low	97 Å²	97	128.8 Å²	128.8	80%	0.802	82%	0.82	S	S	*	*				85.5	143.5	73.8	0	0	0	0	0	111.5
4	S	29	Very low	28.3	Very low	102 Å²	102	137.1 Å²	137.1	71%	0.713	83%	0.828	S	S	*	*			cis	-156	143.2	10.8	-120	0	0	0	0	110
5	V	32.4	Very low	28.3	Very low	127 Å²	127	136.5 Å²	136.5	77%	0.77	82%	0.824	S	S	*	*				65.7	121.9	91.8	178.3	0	0	0	0	113
6	C	26.1	Very low	28.5	Very low	116 Å²	116	138.6 Å²	138.6	78%	0.784	83%	0.829	S	S	*	*				-169.1	179.5	63.5	-133.1	0	0	0	0	110.8
7	R	27.2	Very low	28.6	Very low	216 Å²	216	135.9 Å²	135.9	82%	0.815	83%	0.825	S	S	*	*				-178.1	146.4	-54.4	-161.2	-164.9	-160.6	-177.9	6.1	110
8	V	26.9	Very low	28.8	Very low	139 Å²	139	139.3 Å²	139.3	84%	0.842	83%	0.826	S	S	*	*			trans	73.7	140.9	167.6	-164.8	0	0	0	0	116.3
9	G	25.5	Very low	29	Very low	72 Å²	72	139.3 Å²	139.3	74%	0.742	83%	0.828	S	S	*	*			cis	-175.4	-179.4	-1.5	0	0	0	0	0	114.4
10	S	28	Very low	29.3	Very low	113 Å²	113	144.8 Å²	144.8	79%	0.79	83%	0.833	S	S	*	*			trans	-85.8	152.4	-168.8	53.9	0	0	0	0	115.9
11	T	27.5	Very low	29.6	Very low	150 Å²	150	143 Å²	143	92%	0.92	83%	0.829	S	S	*	*			trans	-151.4	154.1	140.5	13.5	0	0	0	0	112
12	V	29.2	Very low	29.7	Very low	146 Å²	146	139.7 Å²	139.7	89%	0.885	81%	0.811	S	S	*	*			trans	-109.2	144.6	-172.1	169.9	0	0	0	0	109.9
13	G	26.3	Very low	30.3	Very low	61 Å²	61	142.9 Å²	142.9	63%	0.629	81%	0.814	S	S	*	*			trans	114	104.4	134.5	0	0	0	0	0	119.8
14	R	28.8	Very low	31	Very low	246 Å²	246	145.4 Å²	145.4	93%	0.928	81%	0.809	S	S	*	*			trans	67	154	136.5	-68.7	-176.7	170.2	171.9	-2.1	121.2
15	V	29.5	Very low	31.6	Very low	127 Å²	127	145.9 Å²	145.9	77%	0.77	81%	0.81	S	S	*	*			trans	84.6	92	160.9	-158.4	0	0	0	0	116.1
16	L	30.2	Very low	32.1	Very low	171 Å²	171	147.2 Å²	147.2	90%	0.895	81%	0.811	S	S	*	*				-172.9	88.8	112.1	-97.1	170.5	0	0	0	109.6
17	A	30.5	Very low	32.9	Very low	92 Å²	92	149.3 Å²	149.3	76%	0.76	81%	0.813	S	S	*	*			trans	-97.7	120.8	164.8	0	0	0	0	0	108.8
18	K	31.8	Very low	33.8	Very low	197 Å²	197	146.4 Å²	146.4	86%	0.857	81%	0.814	S	S	*	*			trans	-178.7	159	142	-101.3	161.1	-175.9	-175.8	0	111.6
19	T	34	Very low	34.5	Very low	139 Å²	139	144.8 Å²	144.8	85%	0.853	81%	0.808	S	S	*	*			trans	58.6	76.2	172.8	55.5	0	0	0	0	117.3
20	R	33.8	Very low	35.4	Very low	249 Å²	249	149.3 Å²	149.3	94%	0.94	81%	0.814	S	S	*	*			trans	-107.8	123	133.6	-87.7	-174	170.3	-178.8	-3.2	107.4
21	S	35.9	Very low	36.2	Very low	107 Å²	107	154.8 Å²	154.8	75%	0.748	82%	0.818	S	S	*	*			trans	-69.4	145.3	172.1	45.3	0	0	0	0	110.3	L23	S21-L23 PolarHBondContact O-N 3.04Å; S21-L23 VanDerWaalsContact O-N 3.11Å
22	E	37.9	Very low	37	Very low	169 Å²	169	159.8 Å²	159.8	79%	0.79	82%	0.82	S	S	*	*			trans	-71.1	102.4	176.6	-62	-177.5	169.4	0	0	110.2	Q24	E22-Q24 PolarHBondContact O-N 3.23Å
23	L	39	Very low	37.7	Very low	164 Å²	164	156.1 Å²	156.1	86%	0.859	81%	0.811	S	S	*	*			trans	-88.8	90	157.2	-74.1	171.4	0	0	0	107.6	S21	S21-L23 PolarHBondContact O-N 3.04Å; S21-L23 VanDerWaalsContact O-N 3.11Å
24	Q	40.6	Very low	39	Very low	151 Å²	151	162.4 Å²	162.4	71%	0.706	82%	0.824	S	S	*	*			trans	-61.1	134.6	167.4	-68.9	-177.9	-7.2	0	0	108.9	E22 I26	E22-Q24 PolarHBondContact O-N 3.23Å; Q24-I26 PolarHBondContact O-N 3.11Å; Q24-I26 VanDerWaalsContact O-N 3.17Å
25	P	42.3	Very low	40.2	Very low	111 Å²	111	154.7 Å²	154.7	72%	0.721	81%	0.813	S	S	*	*			trans	-66.8	117.7	171.3	27.8	-31.8	0	0	0	108.4	L27	P25-L27 PolarHBondContact O-N 2.74Å
26	I	43.6	Very low	41.5	Very low	156 Å²	156	154 Å²	154	80%	0.8	81%	0.814	S	S	*	*			trans	-69.4	85.6	170.7	-58.1	175.8	0	0	0	107.3	Q24 L28	Q24-I26 PolarHBondContact O-N 3.11Å; Q24-I26 VanDerWaalsContact O-N 3.17Å; I26-L28 VanDerWaalsContact C-N 3.29Å; I26-L28 PolarHBondContact O-N 3.43Å
27	L	43.4	Very low	43.2	Very low	159 Å²	159	150.6 Å²	150.6	83%	0.832	80%	0.8	S	S	*	*			trans	-65.5	95.8	163.5	-82.6	166.9	0	0	0	107.1	P25 S29	P25-L27 PolarHBondContact O-N 2.74Å; L27-S29 PolarHBondContact O-N 2.95Å
28	L	44.8	Very low	45.3	Very low	156 Å²	156	148.9 Å²	148.9	82%	0.817	78%	0.782	S	S	*	*			trans	-48.4	106.2	171.2	-88.5	157	0	0	0	109	I26 L30	I26-L28 VanDerWaalsContact C-N 3.29Å; I26-L28 PolarHBondContact O-N 3.43Å; L28-L30 PolarHBondContact O-N 3Å
29	S	42.9	Very low	47.3	Very low	104 Å²	104	143.7 Å²	143.7	73%	0.727	76%	0.758	S	S	*	*			trans	-61.5	104.4	170.9	61.2	0	0	0	0	108.1	L27 R31	L27-S29 PolarHBondContact O-N 2.95Å; S29-R31 VanDerWaalsContact C-N 3.31Å; S29-R31 PolarHBondContact O-N 3.39Å
30	L	43.8	Very low	49.1	Very low	167 Å²	167	140.4 Å²	140.4	87%	0.874	75%	0.745	S	S	*	*			trans	-60	97.3	170.9	-85.8	161.2	0	0	0	107.7	L28 R32	L28-L30 PolarHBondContact O-N 3Å; L30-R32 VanDerWaalsContact C-N 3.27Å; L30-R32 PolarHBondContact O-N 2.75Å
31	R	43.6	Very low	50.8	Low	229 Å²	229	134.2 Å²	134.2	86%	0.864	73%	0.726	S	S	*	*			trans	-60.6	94.2	167.4	-84.6	-172.6	170.2	-170.4	-1.6	107.7	S29 G33	S29-R31 VanDerWaalsContact C-N 3.31Å; S29-R31 PolarHBondContact O-N 3.39Å; R31-G33 PolarHBondContact O-N 3.35Å
32	R	45.4	Very low	52.6	Low	255 Å²	255	132 Å²	132	96%	0.962	71%	0.711	S	S	*	*	S	Bend	trans	-61.5	86.1	163	-82.8	-177.8	164.5	-177.8	-4.5	108.1	L30	L30-R32 VanDerWaalsContact C-N 3.27Å; L30-R32 PolarHBondContact O-N 2.75Å
33	G	44.6	Very low	54.4	Low	68 Å²	68	125 Å²	125	70%	0.701	68%	0.679	S	S	*	*			trans	-174.9	9.8	-172.7	0	0	0	0	0	114.6	R31 A35	R31-G33 PolarHBondContact O-N 3.35Å; G33-A35 PolarHBondContact O-N 2.94Å; G33-A35 VanDerWaalsContact O-N 3.16Å
34	Q	51.8	Low	55.8	Low	194 Å²	194	121.3 Å²	121.3	91%	0.907	67%	0.672	S	S	*	*			trans	-75.8	98.5	162.1	-76.2	-174.5	-34.5	0	0	107.9	S36	Q34-S36 PolarHBondContact O-N 3.21Å
35	A	54.8	Low	57.3	Low	84 Å²	84	117.1 Å²	117.1	69%	0.694	67%	0.669	S	S	*	*			trans	-58.6	129.5	159.6	0	0	0	0	0	107.7	G33 V37	G33-A35 PolarHBondContact O-N 2.94Å; G33-A35 VanDerWaalsContact O-N 3.16Å; A35-V37 PolarHBondContact O-N 2.78Å
36	S	56.4	Low	59.1	Low	113 Å²	113	114.2 Å²	114.2	79%	0.79	65%	0.654	S	S	*	*			trans	-64.1	102.8	172.5	54.2	0	0	0	0	108.5	Q34 S38	Q34-S36 PolarHBondContact O-N 3.21Å; S36-S38 PolarHBondContact O-N 2.98Å
37	V	65.9	Low	61.1	Low	99 Å²	99	109.3 Å²	109.3	60%	0.6	63%	0.633	S	S	*	*			trans	-59.2	119.6	174.1	-178	0	0	0	0	107.4	A35 Q41	A35-V37 PolarHBondContact O-N 2.78Å; V37-Q41 HydrophobicContact CG1-CB 3.61Å
38	S	75.5	Confident	63.2	Low	55 Å²	55	108.6 Å²	108.6	39%	0.385	63%	0.625	S	S	.	*			trans	-68.4	155.7	176.8	63.3	0	0	0	0	110.6	S36 A40 Q41 S42	S36-S38 PolarHBondContact O-N 2.98Å; S38-A40 PolarHBondContact O-N 2.84Å; S38-Q41 CarbonylContact O-C 3.53Å; S38-Q41 WeakPolarHBondContact O-CA 3.38Å; S38-Q41 WeakPolarHBondContact O-CB 3.24Å; S38-Q41 PolarHBondContact O-N 3.33Å; S38-Q41 VanDerWaalsContact OG-CG 3.28Å; S38-Q41 WeakPolarHBondContact OG-CG 3.21Å; S38-Q41 PolarHBondContact OG-N 2.86Å; S38-Q41 PolarHBondContact OG-OE1 2.92Å; S38-S42 PolarHBondContact O-N 3.45Å
39	Y	73.5	Confident	65.6	Low	89 Å²	89	102.5 Å²	102.5	35%	0.349	59%	0.594	S	S	.	*	H	α-helix	trans	-52	-42.9	178.7	173.7	-118.6	0	0	0	112.7	Q41 S42 L43 I403	Y39-Q41 VanDerWaalsContact C-N 3.32Å; Y39-Q41 PolarHBondContact O-N 3.5Å; Y39-S42 WeakPolarHBondContact CA-OG 3.35Å; Y39-S42 PolarHBondContact O-N 3.34Å; Y39-S42 PolarHBondContact O-OG 3.46Å; Y39-L43 HydrophobicContact CD1-CD1 4.4Å; Y39-L43 HydrophobicContact CD2-CG 4.29Å; Y39-L43 HydrophobicContact CE1-CD1 3.77Å; Y39-L43 HydrophobicContact CE1-CG 4.35Å; Y39-L43 HydrophobicContact CE2-CD1 4.1Å; Y39-L43 HydrophobicContact CE2-CD2 3.76Å; Y39-L43 HydrophobicContact CE2-CG 3.86Å; Y39-L43 WeakPolarHBondContact O-CG 3.44Å; Y39-L43 PolarHBondContact O-N 2.92Å; Y39-I403 HydrophobicContact CD2-CD1 4.47Å; Y39-I403 HydrophobicContact CE2-CD1 3.45Å; Y39-I403 VanDerWaalsContact CE2-CD1 3.45Å; Y39-I403 HydrophobicContact CE2-CG1 4.38Å
40	A	70.7	Confident	68.1	Low	69 Å²	69	101.7 Å²	101.7	57%	0.57	58%	0.579	S	S	*	*	H	α-helix	trans	-62.1	-36.8	175.8	0	0	0	0	0	113.1	S38 A44	S38-A40 PolarHBondContact O-N 2.84Å; A40-A44 PolarHBondContact O-N 2.7Å; A40-A44 VanDerWaalsContact O-N 3.08Å
41	Q	70.3	Confident	70.7	Confident	119 Å²	119	96.5 Å²	96.5	56%	0.556	55%	0.554	S	S	*	*	H	α-helix	trans	-73	-34.5	175.8	-71.5	164.1	-40.5	0	0	112.3	V37 S38 Y39 L43 A44 G45	V37-Q41 HydrophobicContact CG1-CB 3.61Å; S38-Q41 CarbonylContact O-C 3.53Å; S38-Q41 WeakPolarHBondContact O-CA 3.38Å; S38-Q41 WeakPolarHBondContact O-CB 3.24Å; S38-Q41 PolarHBondContact O-N 3.33Å; S38-Q41 VanDerWaalsContact OG-CG 3.28Å; S38-Q41 WeakPolarHBondContact OG-CG 3.21Å; S38-Q41 PolarHBondContact OG-N 2.86Å; S38-Q41 PolarHBondContact OG-OE1 2.92Å; Y39-Q41 VanDerWaalsContact C-N 3.32Å; Y39-Q41 PolarHBondContact O-N 3.5Å; Q41-L43 VanDerWaalsContact C-N 3.35Å; Q41-A44 PolarHBondContact O-N 3.21Å; Q41-G45 PolarHBondContact O-N 3.03Å; Q41-G45 VanDerWaalsContact O-N 3.08Å
42	S	73.7	Confident	73.2	Confident	61 Å²	61	87.5 Å²	87.5	43%	0.427	53%	0.527	S	S	.	.	H	α-helix	trans	-69.2	-34.2	173.6	58.7	0	0	0	0	112	S38 Y39 G45 A46	S38-S42 PolarHBondContact O-N 3.45Å; Y39-S42 WeakPolarHBondContact CA-OG 3.35Å; Y39-S42 PolarHBondContact O-N 3.34Å; Y39-S42 PolarHBondContact O-OG 3.46Å; S42-G45 PolarHBondContact O-N 3.29Å; S42-A46 PolarHBondContact O-N 3.49Å
43	L	75.6	Confident	75.7	Confident	22 Å²	22	79.9 Å²	79.9	12%	0.115	51%	0.508	C	S	.	.	H	α-helix	trans	-66.1	-39	172	-68	-170.7	0	0	0	112.6	Y39 Q41 G45 A46 L429 A430	Y39-L43 HydrophobicContact CD1-CD1 4.4Å; Y39-L43 HydrophobicContact CD2-CG 4.29Å; Y39-L43 HydrophobicContact CE1-CD1 3.77Å; Y39-L43 HydrophobicContact CE1-CG 4.35Å; Y39-L43 HydrophobicContact CE2-CD1 4.1Å; Y39-L43 HydrophobicContact CE2-CD2 3.76Å; Y39-L43 HydrophobicContact CE2-CG 3.86Å; Y39-L43 WeakPolarHBondContact O-CG 3.44Å; Y39-L43 PolarHBondContact O-N 2.92Å; Q41-L43 VanDerWaalsContact C-N 3.35Å; L43-G45 VanDerWaalsContact C-N 3.26Å; L43-G45 PolarHBondContact O-N 3.44Å; L43-A46 WeakPolarHBondContact O-CB 3.48Å; L43-A46 PolarHBondContact O-N 3.37Å; L43-L429 HydrophobicContact CD2-CB 3.63Å; L43-L429 HydrophobicContact CD2-CD1 4.15Å; L43-A430 HydrophobicContact CB-CB 4.43Å
44	A	69.6	Low	78.1	Confident	86 Å²	86	77.3 Å²	77.3	71%	0.711	48%	0.478	S	S	*	.	H	α-helix	trans	-72.1	-19	176.9	0	0	0	0	0	113.6	A40 Q41	A40-A44 PolarHBondContact O-N 2.7Å; A40-A44 VanDerWaalsContact O-N 3.08Å; Q41-A44 PolarHBondContact O-N 3.21Å
45	G	72.1	Confident	80	Confident	63 Å²	63	76.3 Å²	76.3	65%	0.649	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	5.4	173.5	0	0	0	0	0	114.4	Q41 S42 L43	Q41-G45 PolarHBondContact O-N 3.03Å; Q41-G45 VanDerWaalsContact O-N 3.08Å; S42-G45 PolarHBondContact O-N 3.29Å; L43-G45 VanDerWaalsContact C-N 3.26Å; L43-G45 PolarHBondContact O-N 3.44Å
46	A	79.4	Confident	81.7	Confident	50 Å²	50	72.8 Å²	72.8	41%	0.413	45%	0.448	S	S	.	.	S	Bend	trans	-67.3	138.7	172.1	0	0	0	0	0	109.8	S42 L43	S42-A46 PolarHBondContact O-N 3.49Å; L43-A46 WeakPolarHBondContact O-CB 3.48Å; L43-A46 PolarHBondContact O-N 3.37Å
47	P	84.9	Confident	83.4	Confident	53 Å²	53	68.4 Å²	68.4	34%	0.344	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-61.7	144.6	-179.9	23.8	-32.7	0	0	0	112.1	E63 D64 T65	P47-E63 HydrophobicContact CB-CG 3.9Å; P47-E63 HydrophobicContact CG-CG 3.51Å; P47-D64 WeakPolarHBondContact CB-O 3.19Å; P47-D64 WeakPolarHBondContact CG-O 2.99Å; P47-T65 HydrophobicContact CG-CG2 4.02Å
48	E	88.1	Confident	84.9	Confident	144 Å²	144	63.7 Å²	63.7	67%	0.673	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-72.4	133.7	179.2	-172.3	172.6	-177.1	0	0	110.5	H50	E48-H50 PolarHBondContact O-CD2 2.6Å; E48-H50 PolarHBondContact O-N 3.13Å
49	T	95.3	Very high	85.9	Confident	28 Å²	28	63.3 Å²	63.3	17%	0.172	38%	0.383	C	S	.	.			trans	-82.5	100	171.8	-50.6	0	0	0	0	109.1	S62 I416 R426	T49-S62 WeakPolarHBondContact CA-O 3.28Å; T49-I416 HydrophobicContact CG2-CD1 4.22Å; T49-I416 HydrophobicContact CG2-CG1 4Å; T49-I416 HydrophobicContact CG2-CG2 4.08Å; T49-R426 HydrophobicContact CG2-CB 4.12Å; T49-R426 PolarHBondContact OG1-NH1 3.33Å
50	H	96.2	Very high	87.1	Confident	88 Å²	88	59 Å²	59	41%	0.407	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	135.6	176.4	-64.2	-78.1	0	0	0	110.4	E48 A61 S62 H240	E48-H50 PolarHBondContact O-CD2 2.6Å; E48-H50 PolarHBondContact O-N 3.13Å; H50-A61 CarbonylContact O-C 3.6Å; H50-A61 VanDerWaalsContact O-CA 3.27Å; H50-A61 WeakPolarHBondContact O-CA 3.45Å; H50-S62 PolarHBondContact N-O 3.07Å; H50-S62 PolarHBondContact O-N 3.1Å; H50-H240 HydrophobicContact CB-CB 4.15Å; H50-H240 PolarHBondContact O-CE1 2.99Å
51	V	97.1	Very high	88.4	Confident	58 Å²	58	55.8 Å²	55.8	35%	0.352	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	125.8	178.5	-175	0	0	0	0	110.2	I60 A61 V420	V51-I60 CarbonylContact C-O 2.92Å; V51-I60 WeakPolarHBondContact CA-O 3.44Å; V51-A61 HydrophobicContact CG2-CB 4.08Å; V51-V420 HydrophobicContact CG1-CG1 4.47Å; V51-V420 HydrophobicContact CG2-CG2 4.31Å
52	S	97.2	Very high	89.7	Confident	40 Å²	40	50.2 Å²	50.2	28%	0.28	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	159.4	174.1	-74.8	0	0	0	0	110.5	I60 H240	S52-I60 PolarHBondContact N-O 3.48Å; S52-I60 PolarHBondContact O-N 2.83Å; S52-H240 WeakPolarHBondContact CB-NE2 3.28Å; S52-H240 PolarHBondContact OG-NE2 3.22Å
53	V	96.4	Very high	90.7	Very high	95 Å²	95	47.9 Å²	47.9	58%	0.576	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.9	136.6	176.9	-170.8	0	0	0	0	109.1	L58 R59	V53-L58 WeakPolarHBondContact CA-O 3.44Å; V53-R59 HydrophobicContact CG2-CG 4.25Å
54	L	95.3	Very high	91.6	Very high	14 Å²	14	50.8 Å²	50.8	7%	0.073	31%	0.312	C	S	.	.			trans	-87.3	162.4	173	-60.2	-168.2	0	0	0	111.8	N56 G57 L58 I60 V244 A247 K248	L54-N56 WeakPolarHBondContact CB-OD1 3.46Å; L54-N56 PolarHBondContact O-N 2.75Å; L54-N56 VanDerWaalsContact O-N 3.07Å; L54-G57 WeakPolarHBondContact O-CA 3.34Å; L54-G57 PolarHBondContact O-N 3.24Å; L54-L58 HydrophobicContact CB-CB 4.35Å; L54-L58 HydrophobicContact CD1-CB 4.33Å; L54-L58 HydrophobicContact CD1-CD2 4.03Å; L54-L58 HydrophobicContact CG-CB 4.41Å; L54-L58 PolarHBondContact N-O 3.26Å; L54-I60 HydrophobicContact CD1-CD1 4Å; L54-I60 HydrophobicContact CD2-CD1 3.5Å; L54-I60 HydrophobicContact CG-CD1 3.55Å; L54-V244 HydrophobicContact CD2-CG1 4.47Å; L54-A247 HydrophobicContact CD1-CB 4.36Å; L54-K248 HydrophobicContact CD1-CG 4.28Å; L54-K248 HydrophobicContact CD2-CD 4.23Å; L54-K248 HydrophobicContact CD2-CG 3.51Å
55	D	92.1	Very high	92.6	Very high	172 Å²	172	48.7 Å²	48.7	92%	0.92	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-23.7	179.7	-52.2	-41.5	0	0	0	113.4	G57	D55-G57 VanDerWaalsContact C-N 3.31Å
56	N	91.2	Very high	93.3	Very high	10 Å²	10	48.8 Å²	48.8	5%	0.053	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	11.9	174.2	68.1	5	0	0	0	114	L54 L58 P228 F251 F256	L54-N56 WeakPolarHBondContact CB-OD1 3.46Å; L54-N56 PolarHBondContact O-N 2.75Å; L54-N56 VanDerWaalsContact O-N 3.07Å; N56-L58 VanDerWaalsContact C-N 3.27Å; N56-L58 PolarHBondContact O-N 2.85Å; N56-L58 WeakPolarHBondContact OD1-CB 3.49Å; N56-L58 PolarHBondContact OD1-N 2.97Å; N56-P228 WeakPolarHBondContact O-CD 3.39Å; N56-F251 PolarHBondContact ND2-O 2.77Å; N56-F256 HydrophobicContact CB-CB 4.09Å; N56-F256 HydrophobicContact CB-CD1 3.59Å; N56-F256 HydrophobicContact CB-CE1 4.31Å; N56-F256 HydrophobicContact CB-CG 4.03Å; N56-F256 WeakPolarHBondContact O-CB 3.44Å
57	G	92.6	Very high	93.9	Very high	22 Å²	22	51.2 Å²	51.2	23%	0.227	29%	0.294	C	S	.	.			trans	77.6	-1	178.4	0	0	0	0	0	115.6	L54 D55 R59 G227	L54-G57 WeakPolarHBondContact O-CA 3.34Å; L54-G57 PolarHBondContact O-N 3.24Å; D55-G57 VanDerWaalsContact C-N 3.31Å; G57-R59 PolarHBondContact O-N 3.07Å; G57-G227 CarbonylContact C-O 3.28Å
58	L	95.9	Very high	94.2	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	31%	0.309	C	S	.	.			trans	-61.7	123.4	173	179.8	69.5	0	0	0	109.8	V53 L54 N56 G227 M230 F251 L254	V53-L58 WeakPolarHBondContact CA-O 3.44Å; L54-L58 HydrophobicContact CB-CB 4.35Å; L54-L58 HydrophobicContact CD1-CB 4.33Å; L54-L58 HydrophobicContact CD1-CD2 4.03Å; L54-L58 HydrophobicContact CG-CB 4.41Å; L54-L58 PolarHBondContact N-O 3.26Å; N56-L58 VanDerWaalsContact C-N 3.27Å; N56-L58 PolarHBondContact O-N 2.85Å; N56-L58 WeakPolarHBondContact OD1-CB 3.49Å; N56-L58 PolarHBondContact OD1-N 2.97Å; L58-G227 WeakPolarHBondContact CA-O 3.37Å; L58-M230 HydrophobicContact CD1-CB 3.45Å; L58-M230 VanDerWaalsContact CD1-CB 3.45Å; L58-F251 HydrophobicContact CD2-CB 3.55Å; L58-F251 HydrophobicContact CD2-CD2 4.16Å; L58-F251 HydrophobicContact CD2-CG 3.87Å; L58-L254 HydrophobicContact CB-CD1 4.49Å; L58-L254 HydrophobicContact CD1-CD1 4.2Å; L58-L254 HydrophobicContact CD2-CD1 4.23Å
59	R	97.6	Very high	94.6	Very high	46 Å²	46	47.8 Å²	47.8	17%	0.174	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	138.1	172	-75.1	166.6	-79.2	178.2	-11.2	109.5	V53 G57 P228 M230 V231 L232 V420 L421	V53-R59 HydrophobicContact CG2-CG 4.25Å; G57-R59 PolarHBondContact O-N 3.07Å; R59-P228 PolarHBondContact NH2-O 3.1Å; R59-M230 PolarHBondContact N-O 2.57Å; R59-V231 HydrophobicContact CB-CB 4.47Å; R59-V231 HydrophobicContact CB-CG1 4.46Å; R59-V231 HydrophobicContact CB-CG2 3.96Å; R59-V231 CarbonylContact O-C 3.4Å; R59-V231 WeakPolarHBondContact O-CA 3.27Å; R59-L232 PolarHBondContact O-N 2.81Å; R59-V420 HydrophobicContact CB-CG1 4.22Å; R59-V420 PolarHBondContact NH1-O 3.29Å; R59-L421 PolarHBondContact NH1-O 2.88Å; R59-L421 VanDerWaalsContact NH1-O 3.1Å
60	I	98	Very high	94.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	122.5	177.2	-60.1	155.9	0	0	0	107.1	V51 S52 L54 L232 L243 V244 A247	V51-I60 CarbonylContact C-O 2.92Å; V51-I60 WeakPolarHBondContact CA-O 3.44Å; S52-I60 PolarHBondContact N-O 3.48Å; S52-I60 PolarHBondContact O-N 2.83Å; L54-I60 HydrophobicContact CD1-CD1 4Å; L54-I60 HydrophobicContact CD2-CD1 3.5Å; L54-I60 HydrophobicContact CG-CD1 3.55Å; I60-L232 CarbonylContact C-O 3.59Å; I60-L232 WeakPolarHBondContact CA-O 3.26Å; I60-L232 HydrophobicContact CG1-CB 4.41Å; I60-L243 HydrophobicContact CG2-CD2 3.75Å; I60-L243 HydrophobicContact CG2-CG 3.91Å; I60-V244 HydrophobicContact CB-CG2 4.35Å; I60-V244 HydrophobicContact CD1-CB 4.43Å; I60-V244 HydrophobicContact CD1-CG1 4.4Å; I60-V244 HydrophobicContact CD1-CG2 4.07Å; I60-V244 HydrophobicContact CG2-CG2 3.92Å; I60-A247 HydrophobicContact CD1-CB 3.41Å; I60-A247 VanDerWaalsContact CD1-CB 3.41Å; I60-A247 HydrophobicContact CG1-CB 3.89Å
61	A	98.1	Very high	94.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	138.1	-178	0	0	0	0	0	110.8	H50 V51 V231 L232 A233 A234 I416 V420	H50-A61 CarbonylContact O-C 3.6Å; H50-A61 VanDerWaalsContact O-CA 3.27Å; H50-A61 WeakPolarHBondContact O-CA 3.45Å; V51-A61 HydrophobicContact CG2-CB 4.08Å; A61-V231 HydrophobicContact CB-CG1 4.49Å; A61-L232 PolarHBondContact N-O 2.98Å; A61-A233 CarbonylContact O-C 3.56Å; A61-A233 VanDerWaalsContact O-CA 3.28Å; A61-A233 WeakPolarHBondContact O-CA 3.47Å; A61-A234 PolarHBondContact O-N 2.98Å; A61-I416 HydrophobicContact CB-CG2 3.4Å; A61-V420 HydrophobicContact CB-CG2 3.99Å
62	S	97.4	Very high	94.9	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.014	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	153.5	175.3	67	0	0	0	0	114.9	T49 H50 A234 H240	T49-S62 WeakPolarHBondContact CA-O 3.28Å; H50-S62 PolarHBondContact N-O 3.07Å; H50-S62 PolarHBondContact O-N 3.1Å; S62-A234 CarbonylContact C-O 3.55Å; S62-A234 WeakPolarHBondContact CA-O 3.5Å; S62-H240 WeakPolarHBondContact OG-CB 3.44Å; S62-H240 PolarHBondContact OG-ND1 3.05Å
63	E	95.6	Very high	94.9	Very high	12 Å²	12	37.6 Å²	37.6	6%	0.056	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	116.9	172.5	-175.8	-179.3	122.1	0	0	110.2	P47 T65 A234 A235 G236 I416 R426	P47-E63 HydrophobicContact CB-CG 3.9Å; P47-E63 HydrophobicContact CG-CG 3.51Å; E63-T65 HydrophobicContact CG-CG2 4.13Å; E63-T65 WeakPolarHBondContact OE1-CG2 3.28Å; E63-A234 PolarHBondContact N-O 3.45Å; E63-A235 WeakPolarHBondContact O-CA 3.24Å; E63-G236 PolarHBondContact O-N 2.84Å; E63-I416 HydrophobicContact CB-CD1 3.72Å; E63-R426 IonicContact OE2-CZ 3.52Å; E63-R426 IonicContact OE2-NH1 3.23Å; E63-R426 PolarHBondContact OE2-NH1 3.44Å; E63-R426 IonicContact OE2-NH2 3.22Å
64	D	94.4	Very high	95	Very high	84 Å²	84	33.1 Å²	33.1	45%	0.449	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	121.1	172.2	-166.8	3.6	0	0	0	110.2	P47 G66 G236 G237 V238	P47-D64 WeakPolarHBondContact CB-O 3.19Å; P47-D64 WeakPolarHBondContact CG-O 2.99Å; D64-G66 PolarHBondContact OD1-N 2.75Å; D64-G236 CarbonylContact C-O 3.38Å; D64-G236 WeakPolarHBondContact CA-O 2.84Å; D64-G236 VanDerWaalsContact OD1-O 3.1Å; D64-G237 WeakPolarHBondContact OD1-CA 3.3Å; D64-V238 WeakPolarHBondContact CB-O 3.4Å; D64-V238 PolarHBondContact OD1-N 3.49Å
65	T	89.3	Confident	95.1	Very high	42 Å²	42	32.6 Å²	32.6	26%	0.258	20%	0.202	S	C	.	.			trans	-116.3	3.8	178.2	52.8	0	0	0	0	111.8	P47 E63 H67 G236	P47-T65 HydrophobicContact CG-CG2 4.02Å; E63-T65 HydrophobicContact CG-CG2 4.13Å; E63-T65 WeakPolarHBondContact OE1-CG2 3.28Å; T65-H67 VanDerWaalsContact CB-ND1 3.33Å; T65-H67 WeakPolarHBondContact CB-ND1 3.48Å; T65-H67 PolarHBondContact O-N 3.24Å; T65-H67 PolarHBondContact OG1-ND1 3.32Å; T65-G236 PolarHBondContact N-O 2.77Å; T65-G236 VanDerWaalsContact OG1-C 3.27Å; T65-G236 WeakPolarHBondContact OG1-CA 3.36Å; T65-G236 PolarHBondContact OG1-N 3.22Å; T65-G236 PolarHBondContact OG1-O 2.83Å; T65-G236 VanDerWaalsContact OG1-O 3.1Å
66	G	87.6	Confident	95.3	Very high	65 Å²	65	24.4 Å²	24.4	67%	0.67	16%	0.158	S	C	*	.			trans	67.9	9.8	177.8	0	0	0	0	0	115.7	D64	D64-G66 PolarHBondContact OD1-N 2.75Å
67	H	90.9	Very high	95.5	Very high	101 Å²	101	25.1 Å²	25.1	47%	0.468	16%	0.164	S	C	.	.			trans	-70.7	146.9	176.6	-69	99.6	0	0	0	111.5	T65 T69 T138 G237	T65-H67 VanDerWaalsContact CB-ND1 3.33Å; T65-H67 WeakPolarHBondContact CB-ND1 3.48Å; T65-H67 PolarHBondContact O-N 3.24Å; T65-H67 PolarHBondContact OG1-ND1 3.32Å; H67-T69 PolarHBondContact O-N 3.39Å; H67-T69 VanDerWaalsContact O-N 3.14Å; H67-T138 PolarHBondContact O-OG1 3.29Å; H67-G237 WeakPolarHBondContact O-CA 3.34Å; H67-G237 PolarHBondContact O-N 3.27Å
68	A	92.9	Very high	95.6	Very high	81 Å²	81	24.1 Å²	24.1	67%	0.669	15%	0.153	S	C	*	.	S	Bend	trans	-70	-4.7	173.8	0	0	0	0	0	114	T138	A68-T138 PolarHBondContact O-N 3.09Å; A68-T138 VanDerWaalsContact O-N 3.09Å
69	T	96.4	Very high	95.5	Very high	44 Å²	44	24.1 Å²	24.1	27%	0.27	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	155.5	176.3	53.2	0	0	0	0	110.1	H67 T136 F137 G236 G237	H67-T69 PolarHBondContact O-N 3.39Å; H67-T69 VanDerWaalsContact O-N 3.14Å; T69-T136 CarbonylContact C-O 3.58Å; T69-T136 WeakPolarHBondContact CA-O 3.49Å; T69-T136 WeakPolarHBondContact CB-O 3.35Å; T69-F137 HydrophobicContact CG2-CD1 3.94Å; T69-F137 HydrophobicContact CG2-CE1 4.19Å; T69-G236 VanDerWaalsContact O-CA 3.3Å; T69-G236 WeakPolarHBondContact O-CA 3.49Å; T69-G237 PolarHBondContact O-N 2.93Å
70	C	96.9	Very high	95.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	159.5	174	62.8	0	0	0	0	111.1	K135 T136 A235 V238	C70-K135 WeakPolarHBondContact O-CA 3.32Å; C70-T136 PolarHBondContact N-O 3.27Å; C70-T136 PolarHBondContact O-N 2.85Å; C70-T136 VanDerWaalsContact O-O 3.11Å; C70-A235 CarbonylContact C-O 3.59Å; C70-A235 VanDerWaalsContact CA-O 3.29Å; C70-A235 WeakPolarHBondContact CA-O 3.28Å; C70-V238 HydrophobicContact CB-CG2 3.57Å
71	T	98.1	Very high	95.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	126.8	164.9	-57.2	0	0	0	0	107.5	Y133 M134 A234 A235 T409 T410 C413	T71-Y133 HydrophobicContact CG2-CD2 3.99Å; T71-M134 WeakPolarHBondContact CA-O 3.47Å; T71-A234 CarbonylContact O-C 3.54Å; T71-A234 VanDerWaalsContact O-CA 3.26Å; T71-A234 WeakPolarHBondContact O-CA 3.17Å; T71-A235 PolarHBondContact N-O 2.88Å; T71-A235 PolarHBondContact O-N 2.64Å; T71-T409 WeakPolarHBondContact OG1-CB 3.13Å; T71-T409 PolarHBondContact OG1-OG1 3.42Å; T71-T410 HydrophobicContact CG2-CG2 4.27Å; T71-T410 PolarHBondContact OG1-N 3.02Å; T71-T410 PolarHBondContact OG1-OG1 3.18Å; T71-C413 HydrophobicContact CG2-CB 4.07Å; T71-C413 PolarHBondContact O-SG 3.44Å
72	V	98.3	Very high	95.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	144.1	175.2	55.4	0	0	0	0	108.6	Y133 M134 L141 A144 V145 L148 L232 A233 A234 L243	V72-Y133 CarbonylContact O-C 3.43Å; V72-Y133 WeakPolarHBondContact O-CA 3.39Å; V72-M134 PolarHBondContact N-O 2.84Å; V72-M134 PolarHBondContact O-N 3.06Å; V72-L141 HydrophobicContact CB-CD1 3.87Å; V72-L141 HydrophobicContact CG1-CD1 3.78Å; V72-L141 HydrophobicContact CG2-CD1 4.32Å; V72-A144 HydrophobicContact CG1-CB 3.8Å; V72-V145 HydrophobicContact CG2-CG2 3.96Å; V72-L148 HydrophobicContact CG1-CD1 3.85Å; V72-L148 HydrophobicContact CG2-CD1 4.34Å; V72-L148 WeakPolarHBondContact O-CD1 3.33Å; V72-L232 HydrophobicContact CG2-CD1 3.92Å; V72-A233 CarbonylContact C-O 3.48Å; V72-A233 WeakPolarHBondContact CA-O 3.25Å; V72-A234 HydrophobicContact CB-CB 4.09Å; V72-A234 HydrophobicContact CG2-CB 4.11Å; V72-L243 HydrophobicContact CG2-CD1 4.37Å
73	G	97.9	Very high	94.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	165.4	-179.3	0	0	0	0	0	113.8	W75 F132 L232 A233	G73-W75 WeakPolarHBondContact O-CZ3 3.23Å; G73-F132 CarbonylContact C-O 3.57Å; G73-F132 WeakPolarHBondContact CA-O 3.38Å; G73-L232 CarbonylContact O-C 3.54Å; G73-L232 WeakPolarHBondContact O-CA 3.24Å; G73-A233 PolarHBondContact N-O 2.98Å; G73-A233 PolarHBondContact O-N 2.93Å
74	V	97.9	Very high	94.8	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	114.4	177.3	-175.6	0	0	0	0	108.1	I76 A131 F132 V152 M230 V231 L232 F251	V74-I76 HydrophobicContact CG1-CD1 4.39Å; V74-I76 HydrophobicContact CG1-CG1 3.95Å; V74-A131 WeakPolarHBondContact O-CA 3.28Å; V74-F132 PolarHBondContact N-O 3.18Å; V74-F132 PolarHBondContact O-N 2.98Å; V74-V152 HydrophobicContact CB-CG2 4.32Å; V74-V152 HydrophobicContact CG1-CG1 4.43Å; V74-V152 HydrophobicContact CG2-CG2 4.41Å; V74-M230 HydrophobicContact CG1-CE 3.56Å; V74-V231 CarbonylContact C-O 3.55Å; V74-V231 WeakPolarHBondContact CA-O 3.47Å; V74-L232 HydrophobicContact CG2-CD1 3.89Å; V74-F251 HydrophobicContact CG2-CE1 4.16Å; V74-F251 HydrophobicContact CG2-CZ 3.7Å
75	W	97.9	Very high	94.6	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.008	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	130	170.8	-76.1	-106.6	0	0	0	108.8	G73 A131 M230 V231 A233 C413 D414 L421	G73-W75 WeakPolarHBondContact O-CZ3 3.23Å; W75-A131 HydrophobicContact CD2-CB 4.19Å; W75-A131 HydrophobicContact CG-CB 4.11Å; W75-A131 HydrophobicContact CZ2-CB 4.28Å; W75-M230 CarbonylContact O-C 3.54Å; W75-M230 WeakPolarHBondContact O-CA 3.47Å; W75-V231 PolarHBondContact N-O 2.78Å; W75-V231 PolarHBondContact O-N 2.82Å; W75-A233 HydrophobicContact CE3-CB 3.8Å; W75-A233 HydrophobicContact CZ3-CB 3.7Å; W75-C413 HydrophobicContact CH2-CB 4.23Å; W75-C413 VanDerWaalsContact CH2-SG 3.51Å; W75-D414 VanDerWaalsContact CZ2-CA 3.44Å; W75-D414 HydrophobicContact CZ2-CB 3.92Å; W75-D414 PolarHBondContact NE1-OD1 2.83Å; W75-L421 HydrophobicContact CB-CD1 3.71Å; W75-L421 HydrophobicContact CB-CG 4.2Å
76	I	96.5	Very high	94.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	130.8	-173.8	-47.1	-178.3	0	0	0	108.3	V74 A78 H129 T130 F132 V152 Y225 M230	V74-I76 HydrophobicContact CG1-CD1 4.39Å; V74-I76 HydrophobicContact CG1-CG1 3.95Å; I76-A78 HydrophobicContact CG2-CB 3.87Å; I76-A78 PolarHBondContact O-N 3.08Å; I76-H129 WeakPolarHBondContact O-CA 3.5Å; I76-H129 WeakPolarHBondContact O-CB 2.98Å; I76-T130 PolarHBondContact N-O 3.38Å; I76-T130 PolarHBondContact O-N 3.02Å; I76-F132 HydrophobicContact CD1-CD2 4.18Å; I76-F132 HydrophobicContact CD1-CE2 4.05Å; I76-V152 HydrophobicContact CD1-CG1 3.87Å; I76-Y225 HydrophobicContact CD1-CD1 4.15Å; I76-Y225 HydrophobicContact CD1-CD2 3.68Å; I76-Y225 HydrophobicContact CD1-CE1 3.97Å; I76-Y225 HydrophobicContact CD1-CE2 3.47Å; I76-Y225 VanDerWaalsContact CD1-CE2 3.47Å; I76-Y225 HydrophobicContact CD1-CG 4Å; I76-Y225 HydrophobicContact CG2-CD1 4.03Å; I76-Y225 HydrophobicContact CG2-CE1 4.21Å; I76-M230 HydrophobicContact CB-CG 4.5Å; I76-M230 HydrophobicContact CD1-CE 4.34Å; I76-M230 HydrophobicContact CG1-CE 4.49Å; I76-M230 HydrophobicContact CG1-CG 4.17Å; I76-M230 HydrophobicContact CG2-CG 4.07Å
77	S	95.3	Very high	95.1	Very high	26 Å²	26	34.5 Å²	34.5	18%	0.182	18%	0.183	C	C	.	.	S	Bend	trans	-75.6	68.5	172	-152.2	0	0	0	0	110.7	Y82 R229	S77-Y82 VanDerWaalsContact O-CZ 3.26Å; S77-Y82 PolarHBondContact O-OH 3.23Å; S77-Y82 PolarHBondContact OG-OH 3.02Å; S77-R229 PolarHBondContact N-O 3.22Å
78	A	93.9	Very high	95.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.164	C	C	.	.			trans	-149.5	147.3	179.3	0	0	0	0	0	107.7	I76 H129 T130 H224 Y225	I76-A78 HydrophobicContact CG2-CB 3.87Å; I76-A78 PolarHBondContact O-N 3.08Å; A78-H129 CarbonylContact O-C 3.57Å; A78-H129 WeakPolarHBondContact O-CA 3.27Å; A78-H129 PolarHBondContact O-N 3.24Å; A78-T130 PolarHBondContact O-N 2.93Å; A78-T130 PolarHBondContact O-OG1 3.11Å; A78-H224 HydrophobicContact CB-CB 3.82Å; A78-Y225 HydrophobicContact CB-CD1 4.47Å; A78-Y225 HydrophobicContact CB-CE1 4.13Å
79	G	94.8	Very high	95.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	167.5	-177.3	-171.2	0	0	0	0	0	109.7	R81 Y82 S126 R127 Y220	G79-R81 PolarHBondContact O-N 2.79Å; G79-Y82 WeakPolarHBondContact O-CB 3.26Å; G79-Y82 PolarHBondContact O-N 3.11Å; G79-S126 VanDerWaalsContact CA-O 3.23Å; G79-S126 WeakPolarHBondContact CA-O 3.34Å; G79-R127 CarbonylContact C-O 3.57Å; G79-Y220 PolarHBondContact N-OH 3.33Å; G79-Y220 VanDerWaalsContact N-OH 3.09Å
80	S	95.8	Very high	95.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-61.5	-23.6	-171	63.9	0	0	0	0	115.2	Y82 E83 S126 R127 S201	S80-Y82 PolarHBondContact O-N 3.21Å; S80-E83 WeakPolarHBondContact CA-OE2 3.35Å; S80-E83 WeakPolarHBondContact CB-OE2 3.18Å; S80-E83 WeakPolarHBondContact O-CB 3.37Å; S80-E83 PolarHBondContact O-N 3.4Å; S80-E83 VanDerWaalsContact O-N 3.11Å; S80-S126 PolarHBondContact N-O 2.92Å; S80-R127 PolarHBondContact N-O 2.62Å; S80-S201 WeakPolarHBondContact CB-O 3.06Å
81	R	95.3	Very high	95.3	Very high	7 Å²	7	24.4 Å²	24.4	3%	0.026	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-64.4	-21.8	171.8	-167.5	-170.9	170.6	153	6.5	113.5	G79 R127 E128 P197 L198 L266 S267 C269 S352 D353	G79-R81 PolarHBondContact O-N 2.79Å; R81-R127 WeakPolarHBondContact CB-O 3.36Å; R81-R127 PolarHBondContact N-O 2.86Å; R81-E128 HydrophobicContact CB-CG 4.46Å; R81-E128 WeakPolarHBondContact CD-OE1 3.36Å; R81-E128 IonicContact CZ-OE1 3.66Å; R81-E128 IonicContact NE-OE1 3.7Å; R81-E128 IonicContact NH1-OE1 2.73Å; R81-E128 PolarHBondContact NH1-OE1 2.79Å; R81-P197 HydrophobicContact CB-CB 4.5Å; R81-P197 HydrophobicContact CG-CB 3.95Å; R81-P197 WeakPolarHBondContact O-CB 3.39Å; R81-L198 HydrophobicContact CB-CD2 4.25Å; R81-L198 HydrophobicContact CG-CD2 4.01Å; R81-L198 HydrophobicContact CG-CG 4.11Å; R81-L266 HydrophobicContact CG-CD1 4.25Å; R81-S267 PolarHBondContact NH2-O 2.8Å; R81-C269 PolarHBondContact NH2-SG 2.74Å; R81-S352 PolarHBondContact NH1-OG 2.77Å; R81-D353 IonicContact CZ-OD1 3.54Å; R81-D353 IonicContact CZ-OD2 3.27Å; R81-D353 IonicContact NH1-OD1 2.77Å; R81-D353 PolarHBondContact NH1-OD1 2.92Å; R81-D353 IonicContact NH1-OD2 2.61Å; R81-D353 IonicContact NH2-OD1 3.84Å; R81-D353 PolarHBondContact NH2-OD1 2.83Å; R81-D353 IonicContact NH2-OD2 3.49Å; R81-D353 PolarHBondContact NH2-OD2 3.15Å
82	Y	94	Very high	95.2	Very high	35 Å²	35	24.9 Å²	24.9	14%	0.137	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-89.8	-4.8	177.6	-63.4	-91.7	0	0	0	112.7	S77 G79 S80 E128 R229 L266	S77-Y82 VanDerWaalsContact O-CZ 3.26Å; S77-Y82 PolarHBondContact O-OH 3.23Å; S77-Y82 PolarHBondContact OG-OH 3.02Å; G79-Y82 WeakPolarHBondContact O-CB 3.26Å; G79-Y82 PolarHBondContact O-N 3.11Å; S80-Y82 PolarHBondContact O-N 3.21Å; Y82-E128 WeakPolarHBondContact CE2-O 3.27Å; Y82-R229 VanDerWaalsContact CD1-NH1 3.27Å; Y82-L266 HydrophobicContact CD1-CD1 4.35Å; Y82-L266 HydrophobicContact CD1-CD2 3.78Å; Y82-L266 HydrophobicContact CD1-CG 4.48Å; Y82-L266 HydrophobicContact CE1-CD1 3.72Å; Y82-L266 HydrophobicContact CE1-CD2 3.69Å; Y82-L266 HydrophobicContact CE1-CG 3.91Å; Y82-L266 HydrophobicContact CE2-CD1 4.24Å
83	E	94.4	Very high	95	Very high	10 Å²	10	25 Å²	25	5%	0.047	12%	0.123	C	C	.	.			trans	-85.8	169.1	178.2	-58.8	172.9	155.3	0	0	111.4	S80 N88 G89 A90 G91 Y220	S80-E83 WeakPolarHBondContact CA-OE2 3.35Å; S80-E83 WeakPolarHBondContact CB-OE2 3.18Å; S80-E83 WeakPolarHBondContact O-CB 3.37Å; S80-E83 PolarHBondContact O-N 3.4Å; S80-E83 VanDerWaalsContact O-N 3.11Å; E83-N88 HydrophobicContact CB-CB 4.46Å; E83-N88 WeakPolarHBondContact OE2-CA 3.32Å; E83-N88 PolarHBondContact OE2-ND2 2.83Å; E83-G89 PolarHBondContact OE1-N 2.94Å; E83-G89 PolarHBondContact OE2-N 3.12Å; E83-A90 PolarHBondContact OE1-N 3.29Å; E83-G91 PolarHBondContact OE1-N 2.8Å; E83-Y220 HydrophobicContact CG-CD2 4.34Å; E83-Y220 HydrophobicContact CG-CE2 3.72Å
84	S	91.8	Very high	94.8	Very high	56 Å²	56	25.1 Å²	25.1	39%	0.392	12%	0.124	S	C	.	.			trans	-113.3	163.9	168.4	73.9	0	0	0	0	109.1	K86 N87 N88	S84-K86 PolarHBondContact O-N 3.33Å; S84-K86 PolarHBondContact OG-N 3.14Å; S84-N87 WeakPolarHBondContact CA-OD1 3.31Å; S84-N87 WeakPolarHBondContact CB-OD1 3.42Å; S84-N87 PolarHBondContact N-OD1 2.85Å; S84-N87 CarbonylContact O-C 3.56Å; S84-N87 PolarHBondContact O-N 3.26Å; S84-N87 PolarHBondContact O-OD1 3.42Å; S84-N87 PolarHBondContact OG-OD1 2.95Å; S84-N88 WeakPolarHBondContact O-CB 3.26Å; S84-N88 PolarHBondContact O-N 3Å
85	E	91.9	Very high	94.6	Very high	154 Å²	154	26.4 Å²	26.4	72%	0.72	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-26.1	176.7	-62.4	177.4	167.5	0	0	113.9	N208	E85-N208 PolarHBondContact O-ND2 2.88Å
86	K	92.3	Very high	94.3	Very high	180 Å²	180	27.4 Å²	27.4	78%	0.783	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-35.1	179.5	-63.9	-175.9	179.6	-179.4	0	114.2	S84	S84-K86 PolarHBondContact O-N 3.33Å; S84-K86 PolarHBondContact OG-N 3.14Å
87	N	93.4	Very high	94.1	Very high	27 Å²	27	27.4 Å²	27.4	14%	0.144	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116	16.1	-177.7	69.7	-29.2	0	0	0	112.8	S84 G89 A90 L212	S84-N87 WeakPolarHBondContact CA-OD1 3.31Å; S84-N87 WeakPolarHBondContact CB-OD1 3.42Å; S84-N87 PolarHBondContact N-OD1 2.85Å; S84-N87 CarbonylContact O-C 3.56Å; S84-N87 PolarHBondContact O-N 3.26Å; S84-N87 PolarHBondContact O-OD1 3.42Å; S84-N87 PolarHBondContact OG-OD1 2.95Å; N87-G89 PolarHBondContact O-N 3.34Å; N87-A90 HydrophobicContact CB-CB 4.38Å; N87-A90 WeakPolarHBondContact O-CB 3.41Å; N87-A90 PolarHBondContact O-N 2.87Å; N87-L212 HydrophobicContact CB-CD2 4.17Å
88	N	96.4	Very high	93.8	Very high	11 Å²	11	26.3 Å²	26.3	6%	0.059	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	127.2	175.6	175.7	-139.4	0	0	0	110.4	E83 S84 S201 G204 P205 N208	E83-N88 HydrophobicContact CB-CB 4.46Å; E83-N88 WeakPolarHBondContact OE2-CA 3.32Å; E83-N88 PolarHBondContact OE2-ND2 2.83Å; S84-N88 WeakPolarHBondContact O-CB 3.26Å; S84-N88 PolarHBondContact O-N 3Å; N88-S201 PolarHBondContact ND2-O 3.2Å; N88-G204 WeakPolarHBondContact OD1-CA 3.4Å; N88-P205 WeakPolarHBondContact OD1-CD 3.44Å; N88-N208 VanDerWaalsContact O-CB 3.31Å; N88-N208 WeakPolarHBondContact O-CB 3.04Å; N88-N208 PolarHBondContact O-ND2 3.42Å
89	G	95.5	Very high	93.4	Very high	3 Å²	3	28.9 Å²	28.9	3%	0.031	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.4	-2.8	-168.2	0	0	0	0	0	114.6	E83 N87 F92 F93 L203	E83-G89 PolarHBondContact OE1-N 2.94Å; E83-G89 PolarHBondContact OE2-N 3.12Å; N87-G89 PolarHBondContact O-N 3.34Å; G89-F92 PolarHBondContact O-N 2.78Å; G89-F93 WeakPolarHBondContact O-CB 3.34Å; G89-F93 PolarHBondContact O-N 3.08Å; G89-L203 WeakPolarHBondContact CA-O 3.3Å
90	A	95.8	Very high	93.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-64.7	-38.4	179.3	0	0	0	0	0	113.5	E83 N87 F93 L94 L212 L217 Y220	E83-A90 PolarHBondContact OE1-N 3.29Å; N87-A90 HydrophobicContact CB-CB 4.38Å; N87-A90 WeakPolarHBondContact O-CB 3.41Å; N87-A90 PolarHBondContact O-N 2.87Å; A90-F93 PolarHBondContact O-N 3.17Å; A90-L94 WeakPolarHBondContact O-CB 3.46Å; A90-L94 PolarHBondContact O-N 2.99Å; A90-L212 HydrophobicContact CB-CD2 4.29Å; A90-L217 HydrophobicContact CB-CD2 4.05Å; A90-Y220 HydrophobicContact CB-CD2 4.19Å; A90-Y220 HydrophobicContact CB-CG 4.15Å
91	G	94.3	Very high	92.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-64.4	-46.2	176.3	0	0	0	0	0	112.1	E83 L94 E95	E83-G91 PolarHBondContact OE1-N 2.8Å; G91-L94 PolarHBondContact O-N 3.31Å; G91-E95 PolarHBondContact O-N 3.41Å; G91-E95 VanDerWaalsContact O-N 3.16Å
92	F	95.2	Very high	92.4	Very high	10 Å²	10	30 Å²	30	4%	0.044	14%	0.144	C	C	.	.	H	α-helix	trans	-63	-46.2	174.1	179.3	-117.2	0	0	0	111.5	G89 L94 E95 H96 V169 E172 L203	G89-F92 PolarHBondContact O-N 2.78Å; F92-L94 VanDerWaalsContact C-N 3.32Å; F92-L94 PolarHBondContact O-N 3.05Å; F92-E95 WeakPolarHBondContact O-CB 3.35Å; F92-E95 PolarHBondContact O-N 2.89Å; F92-E95 VanDerWaalsContact O-N 3.1Å; F92-H96 AromaticContact CE1-NE2 3.81Å; F92-H96 AromaticContact CE2-NE2 3.74Å; F92-H96 AromaticContact CZ-NE2 3.34Å; F92-H96 VanDerWaalsContact CZ-NE2 3.34Å; F92-H96 WeakPolarHBondContact CZ-NE2 3.06Å; F92-H96 PolarHBondContact O-CD2 3.38Å; F92-V169 HydrophobicContact CD1-CG1 4.31Å; F92-V169 HydrophobicContact CE1-CG1 4.01Å; F92-E172 HydrophobicContact CZ-CG 4.28Å; F92-L203 HydrophobicContact CD1-CB 4.28Å; F92-L203 HydrophobicContact CD1-CD2 3.74Å; F92-L203 HydrophobicContact CD2-CD2 3.79Å; F92-L203 HydrophobicContact CE1-CD2 3.63Å; F92-L203 HydrophobicContact CE2-CD2 3.68Å; F92-L203 HydrophobicContact CG-CD2 3.83Å; F92-L203 HydrophobicContact CZ-CD2 3.6Å
93	F	95.3	Very high	92.1	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.009	18%	0.176	C	C	.	.	H	α-helix	trans	-61.5	-39.9	177	-156	-70.4	0	0	0	112.4	G89 A90 E95 H96 M97 I162 Q165 R166 V169 L212 L217	G89-F93 WeakPolarHBondContact O-CB 3.34Å; G89-F93 PolarHBondContact O-N 3.08Å; A90-F93 PolarHBondContact O-N 3.17Å; F93-E95 PolarHBondContact O-N 2.8Å; F93-H96 PolarHBondContact O-N 3.08Å; F93-M97 HydrophobicContact CD1-CG 3.9Å; F93-M97 HydrophobicContact CE1-CG 4Å; F93-M97 HydrophobicContact CE1-SD 4.11Å; F93-M97 WeakPolarHBondContact O-CG 3.37Å; F93-M97 PolarHBondContact O-N 3.42Å; F93-I162 HydrophobicContact CE1-CB 4.39Å; F93-I162 HydrophobicContact CE1-CG1 4.45Å; F93-I162 HydrophobicContact CE1-CG2 3.87Å; F93-I162 HydrophobicContact CZ-CG2 3.95Å; F93-I162 WeakPolarHBondContact CZ-O 3.46Å; F93-Q165 HydrophobicContact CE1-CB 4.46Å; F93-R166 HydrophobicContact CE2-CB 4.24Å; F93-R166 HydrophobicContact CE2-CG 4.3Å; F93-R166 HydrophobicContact CZ-CB 4.11Å; F93-V169 HydrophobicContact CD2-CB 4.37Å; F93-V169 HydrophobicContact CD2-CG1 4.06Å; F93-V169 HydrophobicContact CD2-CG2 3.96Å; F93-V169 HydrophobicContact CE2-CB 4.31Å; F93-V169 HydrophobicContact CE2-CG1 4.36Å; F93-V169 HydrophobicContact CE2-CG2 4.04Å; F93-V169 HydrophobicContact CG-CG2 4.44Å; F93-L212 HydrophobicContact CB-CD1 4.37Å; F93-L212 HydrophobicContact CD2-CD1 4.42Å; F93-L217 HydrophobicContact CB-CD2 4.27Å; F93-L217 HydrophobicContact CD1-CD1 3.82Å; F93-L217 HydrophobicContact CD1-CD2 4.5Å; F93-L217 HydrophobicContact CE1-CD1 4.28Å
94	L	93.6	Very high	91.9	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.021	20%	0.196	C	C	.	.	H	α-helix	trans	-63.2	-30	177	179.5	65.1	0	0	0	112.3	A90 G91 F92 M97 A98 L157 Y220 V221 Y225	A90-L94 WeakPolarHBondContact O-CB 3.46Å; A90-L94 PolarHBondContact O-N 2.99Å; G91-L94 PolarHBondContact O-N 3.31Å; F92-L94 VanDerWaalsContact C-N 3.32Å; F92-L94 PolarHBondContact O-N 3.05Å; L94-M97 PolarHBondContact O-N 3.16Å; L94-A98 PolarHBondContact O-N 2.83Å; L94-L157 HydrophobicContact CD1-CD2 4.07Å; L94-Y220 HydrophobicContact CD2-CD1 3.96Å; L94-Y220 HydrophobicContact CD2-CE1 4.11Å; L94-V221 HydrophobicContact CD1-CG2 3.74Å; L94-V221 HydrophobicContact CD2-CG2 3.43Å; L94-V221 VanDerWaalsContact CD2-CG2 3.43Å; L94-V221 HydrophobicContact CG-CG2 4.25Å; L94-Y225 HydrophobicContact CD2-CE1 4.04Å; L94-Y225 HydrophobicContact CD2-CE2 3.95Å; L94-Y225 VanDerWaalsContact CD2-CZ 3.49Å; L94-Y225 VanDerWaalsContact CD2-OH 3.26Å; L94-Y225 WeakPolarHBondContact CD2-OH 3.43Å
95	E	93	Very high	91.8	Very high	28 Å²	28	40 Å²	40	13%	0.131	18%	0.181	C	C	.	.	H	α-helix	trans	-58.8	-49.6	174.5	-159.6	178.8	137	0	0	111.9	G91 F92 F93 M97 A98 F99 A123 Y124 T125	G91-E95 PolarHBondContact O-N 3.41Å; G91-E95 VanDerWaalsContact O-N 3.16Å; F92-E95 WeakPolarHBondContact O-CB 3.35Å; F92-E95 PolarHBondContact O-N 2.89Å; F92-E95 VanDerWaalsContact O-N 3.1Å; F93-E95 PolarHBondContact O-N 2.8Å; E95-M97 VanDerWaalsContact C-N 3.28Å; E95-M97 PolarHBondContact O-N 3.34Å; E95-A98 WeakPolarHBondContact O-CB 3.48Å; E95-A98 PolarHBondContact O-N 3.23Å; E95-F99 WeakPolarHBondContact O-CD2 3.2Å; E95-F99 WeakPolarHBondContact O-CE2 3.11Å; E95-A123 HydrophobicContact CG-CB 3.46Å; E95-A123 VanDerWaalsContact CG-CB 3.46Å; E95-A123 VanDerWaalsContact OE1-C 3.29Å; E95-Y124 VanDerWaalsContact OE1-CA 3.28Å; E95-Y124 WeakPolarHBondContact OE1-CA 3.41Å; E95-Y124 PolarHBondContact OE1-N 3.43Å; E95-Y124 WeakPolarHBondContact OE2-CA 3.4Å; E95-T125 VanDerWaalsContact OE2-CB 3.28Å; E95-T125 WeakPolarHBondContact OE2-CB 3.47Å; E95-T125 PolarHBondContact OE2-N 3.38Å; E95-T125 PolarHBondContact OE2-OG1 3.46Å
96	H	92.3	Very high	91.8	Very high	23 Å²	23	36.3 Å²	36.3	11%	0.106	17%	0.17	C	C	.	.	H	α-helix	trans	-60.7	-38.5	173.6	-69.7	-95.1	0	0	0	112.3	F92 F93 F99 Q165 V169 E172	F92-H96 AromaticContact CE1-NE2 3.81Å; F92-H96 AromaticContact CE2-NE2 3.74Å; F92-H96 AromaticContact CZ-NE2 3.34Å; F92-H96 VanDerWaalsContact CZ-NE2 3.34Å; F92-H96 WeakPolarHBondContact CZ-NE2 3.06Å; F92-H96 PolarHBondContact O-CD2 3.38Å; F93-H96 PolarHBondContact O-N 3.08Å; H96-F99 PolarHBondContact O-N 3.43Å; H96-Q165 HydrophobicContact CB-CB 4.43Å; H96-Q165 HydrophobicContact CB-CG 4.38Å; H96-V169 HydrophobicContact CB-CG2 4.41Å; H96-E172 IonicContact CE1-OE2 3.82Å; H96-E172 PolarHBondContact CE1-OE2 2.75Å; H96-E172 IonicContact NE2-OE2 2.62Å
97	M	92.7	Very high	91.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-70	-30.9	-180	-67.7	-55.2	-53.9	0	0	113.1	F93 L94 E95 F99 K100 C155 L157 D161 I162 Q165 L217	F93-M97 HydrophobicContact CD1-CG 3.9Å; F93-M97 HydrophobicContact CE1-CG 4Å; F93-M97 HydrophobicContact CE1-SD 4.11Å; F93-M97 WeakPolarHBondContact O-CG 3.37Å; F93-M97 PolarHBondContact O-N 3.42Å; L94-M97 PolarHBondContact O-N 3.16Å; E95-M97 VanDerWaalsContact C-N 3.28Å; E95-M97 PolarHBondContact O-N 3.34Å; M97-F99 PolarHBondContact O-N 3.39Å; M97-K100 HydrophobicContact CE-CB 4.24Å; M97-K100 HydrophobicContact CE-CG 4.03Å; M97-K100 WeakPolarHBondContact O-CB 3.36Å; M97-K100 PolarHBondContact O-N 2.85Å; M97-K100 HydrophobicContact SD-CG 4.12Å; M97-C155 VanDerWaalsContact C-SG 3.56Å; M97-C155 PolarHBondContact O-SG 3.47Å; M97-L157 HydrophobicContact CB-CD2 3.94Å; M97-L157 HydrophobicContact CE-CD2 4.41Å; M97-L157 HydrophobicContact CG-CD2 4.2Å; M97-D161 HydrophobicContact CE-CB 3.87Å; M97-I162 HydrophobicContact CE-CG1 3.69Å; M97-I162 HydrophobicContact CG-CG1 4.42Å; M97-I162 HydrophobicContact SD-CB 4.42Å; M97-I162 HydrophobicContact SD-CG1 3.77Å; M97-Q165 HydrophobicContact SD-CB 4.08Å; M97-Q165 HydrophobicContact SD-CG 3.84Å; M97-L217 HydrophobicContact CG-CD1 4.38Å
98	A	87.6	Confident	91.7	Very high	3 Å²	3	33.7 Å²	33.7	3%	0.025	17%	0.167	C	C	.	.	H	α-helix	trans	-56.8	-33.4	176.8	0	0	0	0	0	112.1	L94 E95 F132 V151	L94-A98 PolarHBondContact O-N 2.83Å; E95-A98 WeakPolarHBondContact O-CB 3.48Å; E95-A98 PolarHBondContact O-N 3.23Å; A98-F132 HydrophobicContact CB-CD1 3.99Å; A98-F132 HydrophobicContact CB-CE1 3.4Å; A98-F132 HydrophobicContact CB-CZ 4.22Å; A98-V151 HydrophobicContact CB-CG1 3.84Å; A98-V151 WeakPolarHBondContact O-CG1 3.35Å
99	F	85.7	Confident	91.6	Very high	54 Å²	54	34.8 Å²	34.8	24%	0.237	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-4.8	177.7	-51.5	-52.9	0	0	0	114.6	E95 H96 M97 G101 L121 A123	E95-F99 WeakPolarHBondContact O-CD2 3.2Å; E95-F99 WeakPolarHBondContact O-CE2 3.11Å; H96-F99 PolarHBondContact O-N 3.43Å; M97-F99 PolarHBondContact O-N 3.39Å; F99-G101 PolarHBondContact O-N 3Å; F99-L121 HydrophobicContact CD1-CD2 3.82Å; F99-L121 HydrophobicContact CD1-CG 4.08Å; F99-L121 HydrophobicContact CE1-CD1 4.26Å; F99-L121 HydrophobicContact CE1-CD2 3.91Å; F99-L121 HydrophobicContact CE1-CG 3.68Å; F99-A123 HydrophobicContact CE2-CB 4.12Å; F99-A123 HydrophobicContact CZ-CB 3.56Å
100	K	89.6	Confident	91.5	Very high	26 Å²	26	34.9 Å²	34.9	11%	0.113	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	1.2	171.8	-57.9	-55.6	104.1	-178.4	0	113.2	M97 Q107 D161 Q165	M97-K100 HydrophobicContact CE-CB 4.24Å; M97-K100 HydrophobicContact CE-CG 4.03Å; M97-K100 WeakPolarHBondContact O-CB 3.36Å; M97-K100 PolarHBondContact O-N 2.85Å; M97-K100 HydrophobicContact SD-CG 4.12Å; K100-Q107 WeakPolarHBondContact O-CB 3.26Å; K100-D161 HydrophobicContact CB-CB 4.44Å; K100-D161 HydrophobicContact CG-CB 4.35Å; K100-Q165 HydrophobicContact CD-CG 3.74Å; K100-Q165 VanDerWaalsContact CE-CD 3.49Å; K100-Q165 HydrophobicContact CG-CG 3.86Å
101	G	86.1	Confident	91.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	86.6	-179.1	173.1	0	0	0	0	0	114.5	F99 H105 T156	F99-G101 PolarHBondContact O-N 3Å; G101-H105 CarbonylContact C-O 3.6Å; G101-H105 WeakPolarHBondContact CA-O 3.37Å; G101-T156 WeakPolarHBondContact O-CB 3.43Å; G101-T156 PolarHBondContact O-N 2.92Å; G101-T156 PolarHBondContact O-OG1 3.2Å
102	T	90.3	Very high	91.4	Very high	4 Å²	4	45.3 Å²	45.3	3%	0.025	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-122.4	170	-169.7	76.2	0	0	0	0	110.5	K104 H105 D150 V151 N154 T156	T102-K104 PolarHBondContact O-N 3Å; T102-K104 VanDerWaalsContact O-N 3.12Å; T102-K104 PolarHBondContact OG1-N 2.82Å; T102-H105 PolarHBondContact N-O 2.88Å; T102-H105 CarbonylContact O-C 3.53Å; T102-H105 VanDerWaalsContact O-C 3.28Å; T102-H105 PolarHBondContact O-N 2.91Å; T102-H105 PolarHBondContact OG1-N 3.26Å; T102-D150 VanDerWaalsContact CB-OD2 3.28Å; T102-D150 WeakPolarHBondContact CB-OD2 3.17Å; T102-D150 HydrophobicContact CG2-CB 4.26Å; T102-D150 WeakPolarHBondContact CG2-O 3.1Å; T102-D150 WeakPolarHBondContact CG2-OD2 3.31Å; T102-D150 PolarHBondContact OG1-OD2 3.33Å; T102-V151 HydrophobicContact CG2-CG2 4.23Å; T102-N154 WeakPolarHBondContact CA-O 3.24Å; T102-N154 WeakPolarHBondContact CB-O 3.5Å; T102-T156 WeakPolarHBondContact CA-OG1 3.42Å; T102-T156 PolarHBondContact N-OG1 2.87Å
103	K	86.6	Confident	91.3	Very high	186 Å²	186	47.1 Å²	47.1	81%	0.809	24%	0.235	S	C	*	.	S	Bend	trans	-57.6	-24.6	172.8	-65.7	178.8	-178.7	172.1	0	113.9	T156	K103-T156 PolarHBondContact N-OG1 2.79Å
104	K	89.8	Confident	91.3	Very high	108 Å²	108	47.7 Å²	47.7	47%	0.47	24%	0.238	S	C	.	.	S	Bend	trans	-100.2	-28.9	-178.3	179.8	-171	169.7	-163.3	0	112.1	T102 E146	T102-K104 PolarHBondContact O-N 3Å; T102-K104 VanDerWaalsContact O-N 3.12Å; T102-K104 PolarHBondContact OG1-N 2.82Å; K104-E146 IonicContact NZ-OE1 3.65Å; K104-E146 PolarHBondContact NZ-OE1 3.1Å
105	H	90.8	Very high	91.3	Very high	17 Å²	17	54.7 Å²	54.7	8%	0.079	27%	0.271	C	S	.	.	S	Bend	trans	-130.3	84.4	-178.6	-61.8	-47.7	0	0	0	109.7	G101 T102 L110 Q113 D150	G101-H105 CarbonylContact C-O 3.6Å; G101-H105 WeakPolarHBondContact CA-O 3.37Å; T102-H105 PolarHBondContact N-O 2.88Å; T102-H105 CarbonylContact O-C 3.53Å; T102-H105 VanDerWaalsContact O-C 3.28Å; T102-H105 PolarHBondContact O-N 2.91Å; T102-H105 PolarHBondContact OG1-N 3.26Å; H105-L110 HydrophobicContact CB-CB 4.28Å; H105-Q113 PolarHBondContact ND1-NE2 3.26Å; H105-D150 IonicContact CD2-OD2 3.33Å; H105-D150 PolarHBondContact CD2-OD2 2.91Å; H105-D150 VanDerWaalsContact CD2-OD2 3.29Å
106	P	92.2	Very high	91.3	Very high	76 Å²	76	57.8 Å²	57.8	49%	0.494	30%	0.296	S	S	.	.	B	Isolated β-bridge	trans	-54.1	151.1	173.6	-24.7	34.1	0	0	0	111.7	T108 A109 L110	P106-T108 PolarHBondContact O-N 2.94Å; P106-T108 VanDerWaalsContact O-N 3.14Å; P106-A109 CarbonylContact O-C 3.45Å; P106-A109 WeakPolarHBondContact O-CA 3.48Å; P106-A109 WeakPolarHBondContact O-CB 3.5Å; P106-A109 PolarHBondContact O-N 3.48Å; P106-L110 PolarHBondContact O-N 3.13Å
107	Q	91.3	Very high	91.5	Very high	51 Å²	51	57.8 Å²	57.8	24%	0.238	30%	0.296	C	S	.	.	H	α-helix	trans	-39.1	-59.7	-172	-172.2	-178.4	-12.1	0	0	114	K100 A109 L110 E111	K100-Q107 WeakPolarHBondContact O-CB 3.26Å; Q107-A109 VanDerWaalsContact C-N 3.28Å; Q107-A109 PolarHBondContact O-N 3.34Å; Q107-L110 WeakPolarHBondContact O-CB 3.48Å; Q107-L110 PolarHBondContact O-N 3.13Å; Q107-L110 VanDerWaalsContact O-N 3.07Å; Q107-E111 HydrophobicContact CG-CG 4.38Å; Q107-E111 VanDerWaalsContact CG-OE1 3.25Å; Q107-E111 WeakPolarHBondContact CG-OE1 3.47Å; Q107-E111 PolarHBondContact NE2-OE1 2.91Å; Q107-E111 WeakPolarHBondContact O-CG 3.37Å; Q107-E111 PolarHBondContact O-N 3.22Å
108	T	92.7	Very high	91.5	Very high	102 Å²	102	60.5 Å²	60.5	63%	0.626	32%	0.324	S	S	*	.	H	α-helix	trans	-63.2	-32.2	-176.4	53.5	0	0	0	0	113.4	P106 Q112	P106-T108 PolarHBondContact O-N 2.94Å; P106-T108 VanDerWaalsContact O-N 3.14Å; T108-Q112 WeakPolarHBondContact O-CB 3.32Å; T108-Q112 PolarHBondContact O-N 2.85Å
109	A	93.1	Very high	91.9	Very high	33 Å²	33	61 Å²	61	27%	0.273	33%	0.328	S	S	.	.	H	α-helix	trans	-78.1	-28.7	176.2	0	0	0	0	0	112.4	P106 Q107 Q113	P106-A109 CarbonylContact O-C 3.45Å; P106-A109 WeakPolarHBondContact O-CA 3.48Å; P106-A109 WeakPolarHBondContact O-CB 3.5Å; P106-A109 PolarHBondContact O-N 3.48Å; Q107-A109 VanDerWaalsContact C-N 3.28Å; Q107-A109 PolarHBondContact O-N 3.34Å; A109-Q113 WeakPolarHBondContact O-CB 3.33Å; A109-Q113 VanDerWaalsContact O-CG 3.23Å; A109-Q113 WeakPolarHBondContact O-CG 3.42Å; A109-Q113 PolarHBondContact O-N 3.37Å; A109-Q113 PolarHBondContact O-NE2 2.8Å
110	L	93.1	Very high	92.2	Very high	5 Å²	5	64.3 Å²	64.3	3%	0.026	34%	0.344	C	S	.	.	H	α-helix	trans	-70.2	-51.8	171.4	176.1	62.9	0	0	0	110.2	H105 P106 Q107 Q112 Q113 V114 L147 V151	H105-L110 HydrophobicContact CB-CB 4.28Å; P106-L110 PolarHBondContact O-N 3.13Å; Q107-L110 WeakPolarHBondContact O-CB 3.48Å; Q107-L110 PolarHBondContact O-N 3.13Å; Q107-L110 VanDerWaalsContact O-N 3.07Å; L110-Q112 PolarHBondContact O-N 2.87Å; L110-Q113 PolarHBondContact O-N 2.73Å; L110-V114 HydrophobicContact CD1-CG2 4.33Å; L110-V114 WeakPolarHBondContact O-CG2 3.39Å; L110-V114 PolarHBondContact O-N 2.66Å; L110-L147 HydrophobicContact CD1-CB 4.44Å; L110-L147 HydrophobicContact CD1-CD1 4.37Å; L110-L147 HydrophobicContact CD1-CD2 3.89Å; L110-L147 HydrophobicContact CD1-CG 4.45Å; L110-V151 HydrophobicContact CD1-CG2 4.3Å; L110-V151 HydrophobicContact CD2-CG2 3.81Å
111	E	93.4	Very high	92.4	Very high	80 Å²	80	64.6 Å²	64.6	37%	0.374	35%	0.347	S	S	.	.	H	α-helix	trans	-54.3	-53.7	176	-71.2	166.8	171.1	0	0	110.7	Q107 Q113 V114 E115	Q107-E111 HydrophobicContact CG-CG 4.38Å; Q107-E111 VanDerWaalsContact CG-OE1 3.25Å; Q107-E111 WeakPolarHBondContact CG-OE1 3.47Å; Q107-E111 PolarHBondContact NE2-OE1 2.91Å; Q107-E111 WeakPolarHBondContact O-CG 3.37Å; Q107-E111 PolarHBondContact O-N 3.22Å; E111-Q113 VanDerWaalsContact C-N 3.31Å; E111-Q113 PolarHBondContact O-N 3.47Å; E111-V114 PolarHBondContact O-N 2.98Å; E111-E115 WeakPolarHBondContact O-CG 3.5Å; E111-E115 PolarHBondContact O-N 2.72Å
112	Q	94.1	Very high	92.8	Very high	139 Å²	139	65.4 Å²	65.4	65%	0.65	35%	0.353	S	S	*	.	H	α-helix	trans	-60.4	-37.3	178.7	-172.3	-179.8	15.8	0	0	112.8	T108 L110 S116	T108-Q112 WeakPolarHBondContact O-CB 3.32Å; T108-Q112 PolarHBondContact O-N 2.85Å; L110-Q112 PolarHBondContact O-N 2.87Å; Q112-S116 WeakPolarHBondContact O-CB 3.48Å; Q112-S116 PolarHBondContact O-N 2.9Å; Q112-S116 PolarHBondContact O-OG 3.36Å
113	Q	93.9	Very high	93.1	Very high	48 Å²	48	66 Å²	66	22%	0.224	36%	0.358	C	S	.	.	H	α-helix	trans	-66	-46.5	175.7	-83.1	171.3	79.8	0	0	111.5	H105 A109 L110 E111 S116 M117 L147	H105-Q113 PolarHBondContact ND1-NE2 3.26Å; A109-Q113 WeakPolarHBondContact O-CB 3.33Å; A109-Q113 VanDerWaalsContact O-CG 3.23Å; A109-Q113 WeakPolarHBondContact O-CG 3.42Å; A109-Q113 PolarHBondContact O-N 3.37Å; A109-Q113 PolarHBondContact O-NE2 2.8Å; L110-Q113 PolarHBondContact O-N 2.73Å; E111-Q113 VanDerWaalsContact C-N 3.31Å; E111-Q113 PolarHBondContact O-N 3.47Å; Q113-S116 PolarHBondContact O-N 2.86Å; Q113-S116 PolarHBondContact O-OG 3.23Å; Q113-M117 WeakPolarHBondContact O-CE 3.46Å; Q113-M117 PolarHBondContact O-N 3.31Å; Q113-L147 HydrophobicContact CB-CD1 4.34Å
114	V	94.6	Very high	93.5	Very high	14 Å²	14	60.1 Å²	60.1	9%	0.085	33%	0.331	C	S	.	.	H	α-helix	trans	-59.8	-50.1	177.5	172.3	0	0	0	0	111	L110 E111 S116 M117 A119 L121 M134 L147	L110-V114 HydrophobicContact CD1-CG2 4.33Å; L110-V114 WeakPolarHBondContact O-CG2 3.39Å; L110-V114 PolarHBondContact O-N 2.66Å; E111-V114 PolarHBondContact O-N 2.98Å; V114-S116 PolarHBondContact O-N 3.32Å; V114-M117 PolarHBondContact O-N 2.86Å; V114-A119 HydrophobicContact CG1-CB 4.13Å; V114-A119 VanDerWaalsContact CG1-O 3.31Å; V114-A119 WeakPolarHBondContact CG1-O 3.4Å; V114-A119 WeakPolarHBondContact O-CB 3.19Å; V114-A119 PolarHBondContact O-N 3.18Å; V114-L121 HydrophobicContact CG1-CB 3.97Å; V114-L121 HydrophobicContact CG2-CB 4.34Å; V114-L121 HydrophobicContact CG2-CD2 4.29Å; V114-M134 HydrophobicContact CG2-CE 3.88Å; V114-L147 HydrophobicContact CG2-CD1 4.18Å
115	E	94.1	Very high	93.8	Very high	151 Å²	151	55.8 Å²	55.8	71%	0.706	31%	0.314	S	S	*	.	H	α-helix	trans	-62.3	-40.2	177.5	-71.2	-173.7	166.8	0	0	112.7	E111 M117 G118	E111-E115 WeakPolarHBondContact O-CG 3.5Å; E111-E115 PolarHBondContact O-N 2.72Å; E115-M117 PolarHBondContact O-N 3.37Å; E115-G118 PolarHBondContact O-N 3.24Å
116	S	94.4	Very high	94	Very high	94 Å²	94	56.8 Å²	56.8	66%	0.657	32%	0.322	S	S	*	.	H	α-helix	trans	-64.3	-25.1	-178.6	70.6	0	0	0	0	114	Q112 Q113 V114 G118	Q112-S116 WeakPolarHBondContact O-CB 3.48Å; Q112-S116 PolarHBondContact O-N 2.9Å; Q112-S116 PolarHBondContact O-OG 3.36Å; Q113-S116 PolarHBondContact O-N 2.86Å; Q113-S116 PolarHBondContact O-OG 3.23Å; V114-S116 PolarHBondContact O-N 3.32Å; S116-G118 VanDerWaalsContact C-N 3.34Å
117	M	94.9	Very high	94.2	Very high	22 Å²	22	53.9 Å²	53.9	11%	0.108	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-9.2	172.4	-61.9	-179.1	-69.9	0	0	112.8	Q113 V114 E115 A119 M134 F137 D140 K143 L147	Q113-M117 WeakPolarHBondContact O-CE 3.46Å; Q113-M117 PolarHBondContact O-N 3.31Å; V114-M117 PolarHBondContact O-N 2.86Å; E115-M117 PolarHBondContact O-N 3.37Å; M117-A119 HydrophobicContact CB-CB 4.08Å; M117-A119 HydrophobicContact CE-CB 4.27Å; M117-A119 PolarHBondContact O-N 3.37Å; M117-M134 HydrophobicContact CE-SD 4.26Å; M117-F137 WeakPolarHBondContact O-CD2 3.44Å; M117-D140 HydrophobicContact CG-CB 4.43Å; M117-D140 HydrophobicContact SD-CB 3.96Å; M117-K143 HydrophobicContact CE-CG 4.1Å; M117-K143 HydrophobicContact SD-CB 3.8Å; M117-K143 HydrophobicContact SD-CG 3.53Å; M117-K143 VanDerWaalsContact SD-CG 3.53Å; M117-L147 HydrophobicContact CE-CD1 3.72Å
118	G	93.4	Very high	94.4	Very high	58 Å²	58	52 Å²	52	60%	0.598	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	25.1	-165.2	0	0	0	0	0	112.6	E115 S116	E115-G118 PolarHBondContact O-N 3.24Å; S116-G118 VanDerWaalsContact C-N 3.34Å
119	A	94.9	Very high	94.5	Very high	13 Å²	13	47.9 Å²	47.9	11%	0.107	27%	0.267	C	S	.	.			trans	-85.3	154	-178.3	0	0	0	0	0	111.3	V114 M117 M134 K135	V114-A119 HydrophobicContact CG1-CB 4.13Å; V114-A119 VanDerWaalsContact CG1-O 3.31Å; V114-A119 WeakPolarHBondContact CG1-O 3.4Å; V114-A119 WeakPolarHBondContact O-CB 3.19Å; V114-A119 PolarHBondContact O-N 3.18Å; M117-A119 HydrophobicContact CB-CB 4.08Å; M117-A119 HydrophobicContact CE-CB 4.27Å; M117-A119 PolarHBondContact O-N 3.37Å; A119-M134 HydrophobicContact CB-CG 4.03Å; A119-M134 HydrophobicContact CB-SD 3.95Å; A119-K135 CarbonylContact C-O 3.57Å; A119-K135 WeakPolarHBondContact CA-O 3.32Å; A119-K135 WeakPolarHBondContact CB-O 3.49Å
120	H	93.3	Very high	94.7	Very high	124 Å²	124	46.3 Å²	46.3	57%	0.574	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.5	110	174.2	-168.1	-82.4	0	0	0	108.9	S122 M134 K135	H120-S122 PolarHBondContact CE1-OG 2.96Å; H120-S122 PolarHBondContact ND1-OG 2.7Å; H120-M134 CarbonylContact O-C 3.03Å; H120-M134 VanDerWaalsContact O-CA 3.31Å; H120-M134 WeakPolarHBondContact O-CA 3.23Å; H120-K135 PolarHBondContact N-O 3.3Å; H120-K135 PolarHBondContact O-N 3.25Å
121	L	93.9	Very high	94.9	Very high	32 Å²	32	46.1 Å²	46.1	17%	0.168	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	137.2	175	176.2	62.1	0	0	0	109.2	F99 V114 M134 L148	F99-L121 HydrophobicContact CD1-CD2 3.82Å; F99-L121 HydrophobicContact CD1-CG 4.08Å; F99-L121 HydrophobicContact CE1-CD1 4.26Å; F99-L121 HydrophobicContact CE1-CD2 3.91Å; F99-L121 HydrophobicContact CE1-CG 3.68Å; V114-L121 HydrophobicContact CG1-CB 3.97Å; V114-L121 HydrophobicContact CG2-CB 4.34Å; V114-L121 HydrophobicContact CG2-CD2 4.29Å; L121-M134 HydrophobicContact CB-CE 4.25Å; L121-M134 HydrophobicContact CB-CG 4.43Å; L121-M134 HydrophobicContact CD1-CB 4.27Å; L121-M134 HydrophobicContact CD1-CE 3.95Å; L121-M134 HydrophobicContact CD2-CE 4.4Å; L121-M134 HydrophobicContact CG-CE 4.42Å; L121-L148 HydrophobicContact CD1-CD2 3.72Å
122	S	94.9	Very high	95	Very high	17 Å²	17	42.4 Å²	42.4	12%	0.119	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	166.2	-179.4	-54.2	0	0	0	0	111.2	H120 Y133	H120-S122 PolarHBondContact CE1-OG 2.96Å; H120-S122 PolarHBondContact ND1-OG 2.7Å; S122-Y133 PolarHBondContact N-O 2.86Å; S122-Y133 PolarHBondContact O-N 3.18Å; S122-Y133 VanDerWaalsContact O-O 3.11Å
123	A	95.4	Very high	95.2	Very high	16 Å²	16	38 Å²	38	13%	0.132	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	171.9	169.3	0	0	0	0	0	109.8	E95 F99 A131 F132	E95-A123 HydrophobicContact CG-CB 3.46Å; E95-A123 VanDerWaalsContact CG-CB 3.46Å; E95-A123 VanDerWaalsContact OE1-C 3.29Å; F99-A123 HydrophobicContact CE2-CB 4.12Å; F99-A123 HydrophobicContact CZ-CB 3.56Å; A123-A131 CarbonylContact C-O 3.57Å; A123-A131 WeakPolarHBondContact CA-O 3.45Å; A123-A131 WeakPolarHBondContact CB-O 3.46Å; A123-F132 HydrophobicContact CB-CD1 3.53Å; A123-F132 HydrophobicContact CB-CE1 3.78Å; A123-F132 HydrophobicContact CB-CG 4.29Å
124	Y	95.7	Very high	95.3	Very high	62 Å²	62	35.8 Å²	35.8	24%	0.243	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	152.1	160.1	69.8	-96.1	0	0	0	109.2	E95 H129 T130 A131 Y133 D414	E95-Y124 VanDerWaalsContact OE1-CA 3.28Å; E95-Y124 WeakPolarHBondContact OE1-CA 3.41Å; E95-Y124 PolarHBondContact OE1-N 3.43Å; E95-Y124 WeakPolarHBondContact OE2-CA 3.4Å; Y124-H129 AromaticContact CE2-CD2 3.8Å; Y124-H129 AromaticContact CE2-NE2 3.77Å; Y124-T130 WeakPolarHBondContact O-CA 3.33Å; Y124-A131 HydrophobicContact CD1-CB 4Å; Y124-A131 HydrophobicContact CE1-CB 3.58Å; Y124-A131 HydrophobicContact CE2-CB 4.39Å; Y124-A131 PolarHBondContact N-O 3.31Å; Y124-A131 VanDerWaalsContact N-O 3.08Å; Y124-A131 PolarHBondContact O-N 3.01Å; Y124-Y133 HydrophobicContact CD1-CE1 4.18Å; Y124-Y133 HydrophobicContact CE1-CE1 4.47Å; Y124-D414 WeakPolarHBondContact CE1-OD1 3.3Å; Y124-D414 PolarHBondContact OH-OD1 3.43Å
125	T	95.8	Very high	95.5	Very high	18 Å²	18	39.5 Å²	39.5	11%	0.11	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	140.3	174.3	-61.3	0	0	0	0	110.1	E95 T130 V202	E95-T125 VanDerWaalsContact OE2-CB 3.28Å; E95-T125 WeakPolarHBondContact OE2-CB 3.47Å; E95-T125 PolarHBondContact OE2-N 3.38Å; E95-T125 PolarHBondContact OE2-OG1 3.46Å; T125-T130 WeakPolarHBondContact CG2-OG1 3.48Å; T125-T130 PolarHBondContact OG1-OG1 3.34Å; T125-V202 HydrophobicContact CG2-CG1 4.03Å; T125-V202 WeakPolarHBondContact O-CG1 3.45Å
126	S	95.4	Very high	95.6	Very high	37 Å²	37	32.6 Å²	32.6	26%	0.259	19%	0.186	S	C	.	.			trans	-126.3	-177.7	176	-164.1	0	0	0	0	110.1	G79 S80 E128 H129	G79-S126 VanDerWaalsContact CA-O 3.23Å; G79-S126 WeakPolarHBondContact CA-O 3.34Å; S80-S126 PolarHBondContact N-O 2.92Å; S126-E128 VanDerWaalsContact C-N 3.33Å; S126-E128 PolarHBondContact O-N 3.5Å; S126-H129 WeakPolarHBondContact CA-O 3.46Å; S126-H129 VanDerWaalsContact CB-O 3.3Å; S126-H129 WeakPolarHBondContact CB-O 3.04Å; S126-H129 PolarHBondContact N-O 3.04Å
127	R	95.9	Very high	95.7	Very high	15 Å²	15	32.5 Å²	32.5	6%	0.057	17%	0.174	C	C	.	.	S	Bend	trans	-63.7	-36.1	177.6	-73.7	177.3	160.1	79.5	12.8	112.5	G79 S80 R81 D186 L198 Q200 V202 Y351	G79-R127 CarbonylContact C-O 3.57Å; S80-R127 PolarHBondContact N-O 2.62Å; R81-R127 WeakPolarHBondContact CB-O 3.36Å; R81-R127 PolarHBondContact N-O 2.86Å; R127-D186 IonicContact CZ-OD1 2.72Å; R127-D186 VanDerWaalsContact CZ-OD1 3.23Å; R127-D186 IonicContact NH1-OD1 2.83Å; R127-D186 PolarHBondContact NH1-OD1 2.88Å; R127-D186 VanDerWaalsContact NH2-CG 3.31Å; R127-D186 IonicContact NH2-OD1 3.89Å; R127-D186 PolarHBondContact NH2-OD1 2.8Å; R127-D186 IonicContact NH2-OD2 3.46Å; R127-L198 HydrophobicContact CB-CD2 4.19Å; R127-L198 PolarHBondContact NE-O 2.75Å; R127-Q200 PolarHBondContact NH2-O 3.15Å; R127-Q200 VanDerWaalsContact NH2-O 3.08Å; R127-V202 HydrophobicContact CG-CG2 3.88Å; R127-Y351 HydrophobicContact CB-CE1 4.1Å
128	E	95	Very high	95.7	Very high	13 Å²	13	33.9 Å²	33.9	6%	0.061	18%	0.183	C	C	.	.	S	Bend	trans	-119.4	-8	-176.2	-65.9	-164.8	131.2	0	0	115.7	R81 Y82 S126 Y351 S352	R81-E128 HydrophobicContact CB-CG 4.46Å; R81-E128 WeakPolarHBondContact CD-OE1 3.36Å; R81-E128 IonicContact CZ-OE1 3.66Å; R81-E128 IonicContact NE-OE1 3.7Å; R81-E128 IonicContact NH1-OE1 2.73Å; R81-E128 PolarHBondContact NH1-OE1 2.79Å; Y82-E128 WeakPolarHBondContact CE2-O 3.27Å; S126-E128 VanDerWaalsContact C-N 3.33Å; S126-E128 PolarHBondContact O-N 3.5Å; E128-Y351 HydrophobicContact CG-CD1 3.91Å; E128-Y351 VanDerWaalsContact OE2-CA 3.22Å; E128-Y351 WeakPolarHBondContact OE2-CA 3.42Å; E128-Y351 WeakPolarHBondContact OE2-CB 3.26Å; E128-S352 WeakPolarHBondContact OE1-CB 3.19Å; E128-S352 PolarHBondContact OE1-N 3.47Å; E128-S352 PolarHBondContact OE1-OG 2.71Å; E128-S352 PolarHBondContact OE2-N 3.22Å
129	H	95.3	Very high	95.8	Very high	15 Å²	15	38.8 Å²	38.8	7%	0.069	19%	0.188	C	C	.	.			trans	-150.4	149.4	-179.7	54.4	-77.6	0	0	0	112.7	I76 A78 Y124 S126 R418 L421	I76-H129 WeakPolarHBondContact O-CA 3.5Å; I76-H129 WeakPolarHBondContact O-CB 2.98Å; A78-H129 CarbonylContact O-C 3.57Å; A78-H129 WeakPolarHBondContact O-CA 3.27Å; A78-H129 PolarHBondContact O-N 3.24Å; Y124-H129 AromaticContact CE2-CD2 3.8Å; Y124-H129 AromaticContact CE2-NE2 3.77Å; S126-H129 WeakPolarHBondContact CA-O 3.46Å; S126-H129 VanDerWaalsContact CB-O 3.3Å; S126-H129 WeakPolarHBondContact CB-O 3.04Å; S126-H129 PolarHBondContact N-O 3.04Å; H129-R418 PolarHBondContact CE1-NH1 2.88Å; H129-R418 PolarHBondContact NE2-NH1 3.29Å; H129-R418 VanDerWaalsContact NE2-NH1 3.1Å; H129-L421 HydrophobicContact CB-CD1 3.98Å
130	T	96.7	Very high	95.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	138.1	168	-62.2	0	0	0	0	107.6	I76 A78 Y124 T125 F132	I76-T130 PolarHBondContact N-O 3.38Å; I76-T130 PolarHBondContact O-N 3.02Å; A78-T130 PolarHBondContact O-N 2.93Å; A78-T130 PolarHBondContact O-OG1 3.11Å; Y124-T130 WeakPolarHBondContact O-CA 3.33Å; T125-T130 WeakPolarHBondContact CG2-OG1 3.48Å; T125-T130 PolarHBondContact OG1-OG1 3.34Å; T130-F132 HydrophobicContact CG2-CD2 4.2Å; T130-F132 HydrophobicContact CG2-CE2 3.48Å; T130-F132 VanDerWaalsContact CG2-CE2 3.48Å; T130-F132 HydrophobicContact CG2-CZ 3.67Å
131	A	96.9	Very high	96.1	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	136.3	177.4	0	0	0	0	0	110.4	V74 W75 A123 Y124	V74-A131 WeakPolarHBondContact O-CA 3.28Å; W75-A131 HydrophobicContact CD2-CB 4.19Å; W75-A131 HydrophobicContact CG-CB 4.11Å; W75-A131 HydrophobicContact CZ2-CB 4.28Å; A123-A131 CarbonylContact C-O 3.57Å; A123-A131 WeakPolarHBondContact CA-O 3.45Å; A123-A131 WeakPolarHBondContact CB-O 3.46Å; Y124-A131 HydrophobicContact CD1-CB 4Å; Y124-A131 HydrophobicContact CE1-CB 3.58Å; Y124-A131 HydrophobicContact CE2-CB 4.39Å; Y124-A131 PolarHBondContact N-O 3.31Å; Y124-A131 VanDerWaalsContact N-O 3.08Å; Y124-A131 PolarHBondContact O-N 3.01Å
132	F	97.1	Very high	96.2	Very high	3 Å²	3	35.9 Å²	35.9	1%	0.013	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	116	167.2	-61.1	-86.3	0	0	0	108.3	G73 V74 I76 A98 A123 T130 L148 V152 Y225	G73-F132 CarbonylContact C-O 3.57Å; G73-F132 WeakPolarHBondContact CA-O 3.38Å; V74-F132 PolarHBondContact N-O 3.18Å; V74-F132 PolarHBondContact O-N 2.98Å; I76-F132 HydrophobicContact CD1-CD2 4.18Å; I76-F132 HydrophobicContact CD1-CE2 4.05Å; A98-F132 HydrophobicContact CB-CD1 3.99Å; A98-F132 HydrophobicContact CB-CE1 3.4Å; A98-F132 HydrophobicContact CB-CZ 4.22Å; A123-F132 HydrophobicContact CB-CD1 3.53Å; A123-F132 HydrophobicContact CB-CE1 3.78Å; A123-F132 HydrophobicContact CB-CG 4.29Å; T130-F132 HydrophobicContact CG2-CD2 4.2Å; T130-F132 HydrophobicContact CG2-CE2 3.48Å; T130-F132 VanDerWaalsContact CG2-CE2 3.48Å; T130-F132 HydrophobicContact CG2-CZ 3.67Å; F132-L148 HydrophobicContact CB-CD2 4.35Å; F132-V152 HydrophobicContact CB-CG2 4.01Å; F132-V152 HydrophobicContact CD2-CG2 3.82Å; F132-V152 HydrophobicContact CG-CG2 3.98Å; F132-Y225 HydrophobicContact CE2-CE2 4.02Å; F132-Y225 VanDerWaalsContact CE2-OH 3.32Å; F132-Y225 WeakPolarHBondContact CE2-OH 3.4Å
133	Y	97.4	Very high	96.3	Very high	47 Å²	47	37.5 Å²	37.5	18%	0.184	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	151.7	-174.2	68.4	-91.9	0	0	0	113	T71 V72 S122 Y124 T410	T71-Y133 HydrophobicContact CG2-CD2 3.99Å; V72-Y133 CarbonylContact O-C 3.43Å; V72-Y133 WeakPolarHBondContact O-CA 3.39Å; S122-Y133 PolarHBondContact N-O 2.86Å; S122-Y133 PolarHBondContact O-N 3.18Å; S122-Y133 VanDerWaalsContact O-O 3.11Å; Y124-Y133 HydrophobicContact CD1-CE1 4.18Å; Y124-Y133 HydrophobicContact CE1-CE1 4.47Å; Y133-T410 HydrophobicContact CD2-CG2 4.15Å; Y133-T410 HydrophobicContact CE2-CG2 3.71Å
134	M	97.1	Very high	96.3	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	127.1	177.9	-166.4	-177	-63.5	0	0	109.9	T71 V72 V114 M117 A119 H120 L121 A144 L147 L148	T71-M134 WeakPolarHBondContact CA-O 3.47Å; V72-M134 PolarHBondContact N-O 2.84Å; V72-M134 PolarHBondContact O-N 3.06Å; V114-M134 HydrophobicContact CG2-CE 3.88Å; M117-M134 HydrophobicContact CE-SD 4.26Å; A119-M134 HydrophobicContact CB-CG 4.03Å; A119-M134 HydrophobicContact CB-SD 3.95Å; H120-M134 CarbonylContact O-C 3.03Å; H120-M134 VanDerWaalsContact O-CA 3.31Å; H120-M134 WeakPolarHBondContact O-CA 3.23Å; L121-M134 HydrophobicContact CB-CE 4.25Å; L121-M134 HydrophobicContact CB-CG 4.43Å; L121-M134 HydrophobicContact CD1-CB 4.27Å; L121-M134 HydrophobicContact CD1-CE 3.95Å; L121-M134 HydrophobicContact CD2-CE 4.4Å; L121-M134 HydrophobicContact CG-CE 4.42Å; M134-A144 HydrophobicContact CB-CB 4.44Å; M134-A144 HydrophobicContact CG-CB 4.38Å; M134-A144 HydrophobicContact SD-CB 3.58Å; M134-A144 VanDerWaalsContact SD-CB 3.58Å; M134-L147 HydrophobicContact CE-CB 3.96Å; M134-L147 HydrophobicContact CE-CD1 4.13Å; M134-L148 HydrophobicContact CB-CD1 3.99Å; M134-L148 HydrophobicContact CB-CD2 4.34Å; M134-L148 HydrophobicContact CB-CG 4.23Å; M134-L148 HydrophobicContact CE-CG 4.46Å
135	K	97	Very high	96.4	Very high	92 Å²	92	33.8 Å²	33.8	40%	0.4	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	129.4	169.3	-173.8	177.6	-173.5	177.6	0	109.3	C70 A119 H120	C70-K135 WeakPolarHBondContact O-CA 3.32Å; A119-K135 CarbonylContact C-O 3.57Å; A119-K135 WeakPolarHBondContact CA-O 3.32Å; A119-K135 WeakPolarHBondContact CB-O 3.49Å; H120-K135 PolarHBondContact N-O 3.3Å; H120-K135 PolarHBondContact O-N 3.25Å
136	T	96.9	Very high	96.4	Very high	5 Å²	5	35.1 Å²	35.1	3%	0.031	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	178.1	-173.5	-168.2	0	0	0	0	112	T69 C70 D140 A144	T69-T136 CarbonylContact C-O 3.58Å; T69-T136 WeakPolarHBondContact CA-O 3.49Å; T69-T136 WeakPolarHBondContact CB-O 3.35Å; C70-T136 PolarHBondContact N-O 3.27Å; C70-T136 PolarHBondContact O-N 2.85Å; C70-T136 VanDerWaalsContact O-O 3.11Å; T136-D140 WeakPolarHBondContact OG1-CB 3.49Å; T136-A144 HydrophobicContact CG2-CB 3.86Å
137	F	96.9	Very high	96.4	Very high	93 Å²	93	33.4 Å²	33.4	41%	0.408	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	147.3	167.4	-63.5	-77.3	0	0	0	110.8	T69 M117 K139 D140 L141	T69-F137 HydrophobicContact CG2-CD1 3.94Å; T69-F137 HydrophobicContact CG2-CE1 4.19Å; M117-F137 WeakPolarHBondContact O-CD2 3.44Å; F137-K139 HydrophobicContact CB-CG 4.07Å; F137-K139 PolarHBondContact O-N 2.53Å; F137-K139 VanDerWaalsContact O-N 3.13Å; F137-D140 PolarHBondContact O-N 3.45Å; F137-L141 PolarHBondContact O-N 2.85Å
138	T	95.6	Very high	96.4	Very high	50 Å²	50	32.7 Å²	32.7	31%	0.307	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-54	-36.4	-179.8	-69.4	0	0	0	0	113.5	H67 A68 D140 L141 G237	H67-T138 PolarHBondContact O-OG1 3.29Å; A68-T138 PolarHBondContact O-N 3.09Å; A68-T138 VanDerWaalsContact O-N 3.09Å; T138-D140 PolarHBondContact O-N 3.34Å; T138-L141 VanDerWaalsContact O-CB 3.27Å; T138-L141 WeakPolarHBondContact O-CB 3.33Å; T138-L141 PolarHBondContact O-N 2.94Å; T138-G237 WeakPolarHBondContact CB-O 3.3Å; T138-G237 WeakPolarHBondContact CG2-O 3.4Å; T138-G237 PolarHBondContact OG1-O 2.73Å
139	K	95.5	Very high	96.4	Very high	162 Å²	162	32.4 Å²	32.4	70%	0.704	16%	0.155	S	C	*	.	G	3₁₀ helix	trans	-60.3	-27	177	72.3	-179.8	-171.4	175.9	0	113.6	F137	F137-K139 HydrophobicContact CB-CG 4.07Å; F137-K139 PolarHBondContact O-N 2.53Å; F137-K139 VanDerWaalsContact O-N 3.13Å
140	D	96.9	Very high	96.3	Very high	32 Å²	32	32.2 Å²	32.2	17%	0.171	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-101	1.4	-174.2	-57.1	-52.6	0	0	0	111.8	M117 T136 F137 T138 P142 K143 A144	M117-D140 HydrophobicContact CG-CB 4.43Å; M117-D140 HydrophobicContact SD-CB 3.96Å; T136-D140 WeakPolarHBondContact OG1-CB 3.49Å; F137-D140 PolarHBondContact O-N 3.45Å; T138-D140 PolarHBondContact O-N 3.34Å; D140-P142 VanDerWaalsContact C-CD 3.44Å; D140-P142 VanDerWaalsContact C-N 3.33Å; D140-K143 PolarHBondContact O-N 2.87Å; D140-A144 PolarHBondContact O-N 3.42Å
141	L	96.4	Very high	96.1	Very high	5 Å²	5	32.4 Å²	32.4	3%	0.026	16%	0.156	C	C	.	.	H	α-helix	trans	-49.6	-43.7	176.1	174.1	67.8	0	0	0	113.2	V72 F137 T138 K143 A144 V145 V238 M246	V72-L141 HydrophobicContact CB-CD1 3.87Å; V72-L141 HydrophobicContact CG1-CD1 3.78Å; V72-L141 HydrophobicContact CG2-CD1 4.32Å; F137-L141 PolarHBondContact O-N 2.85Å; T138-L141 VanDerWaalsContact O-CB 3.27Å; T138-L141 WeakPolarHBondContact O-CB 3.33Å; T138-L141 PolarHBondContact O-N 2.94Å; L141-K143 VanDerWaalsContact C-N 3.27Å; L141-K143 PolarHBondContact O-N 3.2Å; L141-A144 PolarHBondContact O-N 2.9Å; L141-V145 HydrophobicContact CD1-CG2 4.08Å; L141-V145 HydrophobicContact CG-CG2 4.5Å; L141-V145 WeakPolarHBondContact O-CG2 3.3Å; L141-V145 PolarHBondContact O-N 2.78Å; L141-V238 HydrophobicContact CD2-CB 4.45Å; L141-V238 HydrophobicContact CD2-CG1 3.9Å; L141-V238 HydrophobicContact CD2-CG2 4.3Å; L141-M246 HydrophobicContact CD2-CE 3.83Å; L141-M246 HydrophobicContact CG-CE 3.92Å
142	P	96.9	Very high	95.9	Very high	70 Å²	70	32.7 Å²	32.7	46%	0.455	16%	0.158	S	C	.	.	H	α-helix	trans	-60.8	-36.8	177.5	-22.8	34.3	0	0	0	113.4	D140 E146 M246	D140-P142 VanDerWaalsContact C-CD 3.44Å; D140-P142 VanDerWaalsContact C-N 3.33Å; P142-E146 PolarHBondContact O-N 3.1Å; P142-M246 WeakPolarHBondContact CA-SD 3.41Å; P142-M246 HydrophobicContact CB-SD 3.65Å; P142-M246 HydrophobicContact CG-SD 3.77Å
143	K	96.3	Very high	95.6	Very high	52 Å²	52	35.2 Å²	35.2	23%	0.226	17%	0.17	C	C	.	.	H	α-helix	trans	-73.6	-36.7	177.6	-171.6	49.6	169.5	162	0	111.6	M117 D140 L141 E146 L147	M117-K143 HydrophobicContact CE-CG 4.1Å; M117-K143 HydrophobicContact SD-CB 3.8Å; M117-K143 HydrophobicContact SD-CG 3.53Å; M117-K143 VanDerWaalsContact SD-CG 3.53Å; D140-K143 PolarHBondContact O-N 2.87Å; L141-K143 VanDerWaalsContact C-N 3.27Å; L141-K143 PolarHBondContact O-N 3.2Å; K143-E146 WeakPolarHBondContact CD-OE2 3.42Å; K143-E146 WeakPolarHBondContact CE-OE2 3.36Å; K143-E146 IonicContact NZ-OE1 3.3Å; K143-E146 IonicContact NZ-OE2 2.71Å; K143-E146 PolarHBondContact NZ-OE2 3.49Å; K143-E146 PolarHBondContact O-N 3.35Å; K143-L147 HydrophobicContact CD-CD1 4.5Å; K143-L147 HydrophobicContact CD-CG 4.26Å; K143-L147 HydrophobicContact CG-CD1 4.32Å; K143-L147 WeakPolarHBondContact O-CB 3.46Å; K143-L147 VanDerWaalsContact O-CG 3.29Å; K143-L147 WeakPolarHBondContact O-CG 3.28Å; K143-L147 PolarHBondContact O-N 3.16Å
144	A	96.6	Very high	95.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-63.3	-42.8	173.6	0	0	0	0	0	112.5	V72 M134 T136 D140 L141 L147 L148	V72-A144 HydrophobicContact CG1-CB 3.8Å; M134-A144 HydrophobicContact CB-CB 4.44Å; M134-A144 HydrophobicContact CG-CB 4.38Å; M134-A144 HydrophobicContact SD-CB 3.58Å; M134-A144 VanDerWaalsContact SD-CB 3.58Å; T136-A144 HydrophobicContact CG2-CB 3.86Å; D140-A144 PolarHBondContact O-N 3.42Å; L141-A144 PolarHBondContact O-N 2.9Å; A144-L147 PolarHBondContact O-N 2.75Å; A144-L148 WeakPolarHBondContact O-CB 3.39Å; A144-L148 WeakPolarHBondContact O-CG 3.38Å; A144-L148 PolarHBondContact O-N 3.39Å
145	V	97.3	Very high	94.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-64.4	-43.7	175.4	177	0	0	0	0	111.2	V72 L141 L147 S149 L243 M246 F251	V72-V145 HydrophobicContact CG2-CG2 3.96Å; L141-V145 HydrophobicContact CD1-CG2 4.08Å; L141-V145 HydrophobicContact CG-CG2 4.5Å; L141-V145 WeakPolarHBondContact O-CG2 3.3Å; L141-V145 PolarHBondContact O-N 2.78Å; V145-L147 PolarHBondContact O-N 3.42Å; V145-S149 VanDerWaalsContact O-CB 3.28Å; V145-S149 WeakPolarHBondContact O-CB 3.42Å; V145-S149 PolarHBondContact O-N 3.35Å; V145-S149 PolarHBondContact O-OG 3.18Å; V145-L243 HydrophobicContact CG2-CD1 4Å; V145-M246 HydrophobicContact CB-CB 4.42Å; V145-M246 HydrophobicContact CG1-CB 3.94Å; V145-M246 HydrophobicContact CG2-CE 4.41Å; V145-F251 HydrophobicContact CG1-CE2 4.33Å
146	E	95.8	Very high	94.2	Very high	45 Å²	45	34.5 Å²	34.5	21%	0.21	18%	0.176	C	C	.	.	H	α-helix	trans	-55.7	-52.6	174.2	-178.4	-171.2	-166.7	0	0	111.1	K104 P142 K143 S149 D150	K104-E146 IonicContact NZ-OE1 3.65Å; K104-E146 PolarHBondContact NZ-OE1 3.1Å; P142-E146 PolarHBondContact O-N 3.1Å; K143-E146 WeakPolarHBondContact CD-OE2 3.42Å; K143-E146 WeakPolarHBondContact CE-OE2 3.36Å; K143-E146 IonicContact NZ-OE1 3.3Å; K143-E146 IonicContact NZ-OE2 2.71Å; K143-E146 PolarHBondContact NZ-OE2 3.49Å; K143-E146 PolarHBondContact O-N 3.35Å; E146-S149 PolarHBondContact O-N 3.2Å; E146-S149 PolarHBondContact O-OG 3.45Å; E146-D150 PolarHBondContact O-N 3.28Å
147	L	95.3	Very high	93.9	Very high	1 Å²	1	35 Å²	35	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-65	-45.6	-177.2	-68.7	177.6	0	0	0	112.5	L110 Q113 V114 M117 M134 K143 A144 V145 S149 D150 V151	L110-L147 HydrophobicContact CD1-CB 4.44Å; L110-L147 HydrophobicContact CD1-CD1 4.37Å; L110-L147 HydrophobicContact CD1-CD2 3.89Å; L110-L147 HydrophobicContact CD1-CG 4.45Å; Q113-L147 HydrophobicContact CB-CD1 4.34Å; V114-L147 HydrophobicContact CG2-CD1 4.18Å; M117-L147 HydrophobicContact CE-CD1 3.72Å; M134-L147 HydrophobicContact CE-CB 3.96Å; M134-L147 HydrophobicContact CE-CD1 4.13Å; K143-L147 HydrophobicContact CD-CD1 4.5Å; K143-L147 HydrophobicContact CD-CG 4.26Å; K143-L147 HydrophobicContact CG-CD1 4.32Å; K143-L147 WeakPolarHBondContact O-CB 3.46Å; K143-L147 VanDerWaalsContact O-CG 3.29Å; K143-L147 WeakPolarHBondContact O-CG 3.28Å; K143-L147 PolarHBondContact O-N 3.16Å; A144-L147 PolarHBondContact O-N 2.75Å; V145-L147 PolarHBondContact O-N 3.42Å; L147-S149 VanDerWaalsContact C-N 3.32Å; L147-S149 PolarHBondContact O-N 2.88Å; L147-D150 PolarHBondContact O-N 2.97Å; L147-V151 WeakPolarHBondContact O-CB 3.4Å; L147-V151 WeakPolarHBondContact O-CG2 3.46Å; L147-V151 PolarHBondContact O-N 3.23Å
148	L	95.4	Very high	93.7	Very high	1 Å²	1	34 Å²	34	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-61.2	-41	176.6	-76	168.7	0	0	0	112	V72 L121 F132 M134 A144 D150 V151 V152	V72-L148 HydrophobicContact CG1-CD1 3.85Å; V72-L148 HydrophobicContact CG2-CD1 4.34Å; V72-L148 WeakPolarHBondContact O-CD1 3.33Å; L121-L148 HydrophobicContact CD1-CD2 3.72Å; F132-L148 HydrophobicContact CB-CD2 4.35Å; M134-L148 HydrophobicContact CB-CD1 3.99Å; M134-L148 HydrophobicContact CB-CD2 4.34Å; M134-L148 HydrophobicContact CB-CG 4.23Å; M134-L148 HydrophobicContact CE-CG 4.46Å; A144-L148 WeakPolarHBondContact O-CB 3.39Å; A144-L148 WeakPolarHBondContact O-CG 3.38Å; A144-L148 PolarHBondContact O-N 3.39Å; L148-D150 VanDerWaalsContact C-N 3.26Å; L148-D150 PolarHBondContact O-N 2.86Å; L148-V151 PolarHBondContact O-N 3.49Å; L148-V152 WeakPolarHBondContact O-CB 3.04Å; L148-V152 WeakPolarHBondContact O-CG2 3.34Å; L148-V152 PolarHBondContact O-N 2.88Å
149	S	95.1	Very high	93.5	Very high	6 Å²	6	38.5 Å²	38.5	4%	0.042	20%	0.195	C	C	.	.	H	α-helix	trans	-61.7	-37.2	178.2	77	0	0	0	0	112.6	V145 E146 L147 Q153 H250 F251	V145-S149 VanDerWaalsContact O-CB 3.28Å; V145-S149 WeakPolarHBondContact O-CB 3.42Å; V145-S149 PolarHBondContact O-N 3.35Å; V145-S149 PolarHBondContact O-OG 3.18Å; E146-S149 PolarHBondContact O-N 3.2Å; E146-S149 PolarHBondContact O-OG 3.45Å; L147-S149 VanDerWaalsContact C-N 3.32Å; L147-S149 PolarHBondContact O-N 2.88Å; S149-Q153 VanDerWaalsContact O-CB 3.27Å; S149-Q153 WeakPolarHBondContact O-CB 3.36Å; S149-Q153 VanDerWaalsContact O-CG 3.26Å; S149-Q153 WeakPolarHBondContact O-CG 3.46Å; S149-Q153 PolarHBondContact O-N 3.31Å; S149-Q153 PolarHBondContact O-NE2 2.88Å; S149-H250 WeakPolarHBondContact OG-CB 3.35Å; S149-F251 VanDerWaalsContact CA-CZ 3.41Å; S149-F251 VanDerWaalsContact CB-CZ 3.46Å
150	D	93.5	Very high	93.4	Very high	12 Å²	12	34.4 Å²	34.4	6%	0.064	19%	0.191	C	C	.	.	H	α-helix	trans	-79.3	-39.6	-177.6	-164	44.6	0	0	0	111.1	T102 H105 E146 L147 L148 N154	T102-D150 VanDerWaalsContact CB-OD2 3.28Å; T102-D150 WeakPolarHBondContact CB-OD2 3.17Å; T102-D150 HydrophobicContact CG2-CB 4.26Å; T102-D150 WeakPolarHBondContact CG2-O 3.1Å; T102-D150 WeakPolarHBondContact CG2-OD2 3.31Å; T102-D150 PolarHBondContact OG1-OD2 3.33Å; H105-D150 IonicContact CD2-OD2 3.33Å; H105-D150 PolarHBondContact CD2-OD2 2.91Å; H105-D150 VanDerWaalsContact CD2-OD2 3.29Å; E146-D150 PolarHBondContact O-N 3.28Å; L147-D150 PolarHBondContact O-N 2.97Å; L148-D150 VanDerWaalsContact C-N 3.26Å; L148-D150 PolarHBondContact O-N 2.86Å; D150-N154 CarbonylContact O-C 3.6Å; D150-N154 WeakPolarHBondContact O-CA 3.41Å; D150-N154 WeakPolarHBondContact O-CB 3.44Å; D150-N154 PolarHBondContact O-N 3.14Å; D150-N154 WeakPolarHBondContact OD1-CB 3.48Å; D150-N154 PolarHBondContact OD1-ND2 3.44Å
151	V	93.1	Very high	93.1	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.018	19%	0.192	C	C	.	.	H	α-helix	trans	-59.2	-47.2	174.1	165.2	0	0	0	0	111.4	A98 T102 L110 L147 L148 C155	A98-V151 HydrophobicContact CB-CG1 3.84Å; A98-V151 WeakPolarHBondContact O-CG1 3.35Å; T102-V151 HydrophobicContact CG2-CG2 4.23Å; L110-V151 HydrophobicContact CD1-CG2 4.3Å; L110-V151 HydrophobicContact CD2-CG2 3.81Å; L147-V151 WeakPolarHBondContact O-CB 3.4Å; L147-V151 WeakPolarHBondContact O-CG2 3.46Å; L147-V151 PolarHBondContact O-N 3.23Å; L148-V151 PolarHBondContact O-N 3.49Å; V151-C155 WeakPolarHBondContact O-CB 3.45Å
152	V	92.2	Very high	93	Very high	7 Å²	7	34.5 Å²	34.5	4%	0.042	19%	0.192	C	C	.	.	H	α-helix	trans	-74	-31.4	-176.7	175.5	0	0	0	0	112.8	V74 I76 F132 L148 Y225 M230	V74-V152 HydrophobicContact CB-CG2 4.32Å; V74-V152 HydrophobicContact CG1-CG1 4.43Å; V74-V152 HydrophobicContact CG2-CG2 4.41Å; I76-V152 HydrophobicContact CD1-CG1 3.87Å; F132-V152 HydrophobicContact CB-CG2 4.01Å; F132-V152 HydrophobicContact CD2-CG2 3.82Å; F132-V152 HydrophobicContact CG-CG2 3.98Å; L148-V152 WeakPolarHBondContact O-CB 3.04Å; L148-V152 WeakPolarHBondContact O-CG2 3.34Å; L148-V152 PolarHBondContact O-N 2.88Å; V152-Y225 HydrophobicContact CG1-CD2 4.04Å; V152-Y225 HydrophobicContact CG1-CE2 4.31Å; V152-M230 HydrophobicContact CG1-CE 3.64Å
153	Q	90.8	Very high	92.9	Very high	55 Å²	55	36.6 Å²	36.6	26%	0.257	20%	0.195	S	C	.	.	H	α-helix	trans	-96.6	-33.4	-176.1	-66.2	175.3	102.5	0	0	114.1	S149 H250 L254	S149-Q153 VanDerWaalsContact O-CB 3.27Å; S149-Q153 WeakPolarHBondContact O-CB 3.36Å; S149-Q153 VanDerWaalsContact O-CG 3.26Å; S149-Q153 WeakPolarHBondContact O-CG 3.46Å; S149-Q153 PolarHBondContact O-N 3.31Å; S149-Q153 PolarHBondContact O-NE2 2.88Å; Q153-H250 PolarHBondContact NE2-O 3.32Å; Q153-L254 HydrophobicContact CG-CD2 3.63Å
154	N	89.9	Confident	92.7	Very high	76 Å²	76	39.5 Å²	39.5	41%	0.406	21%	0.21	S	C	.	.	H	α-helix	trans	-126.9	25.4	-165.4	-57.8	-51.5	0	0	0	113.4	T102 D150 T156	T102-N154 WeakPolarHBondContact CA-O 3.24Å; T102-N154 WeakPolarHBondContact CB-O 3.5Å; D150-N154 CarbonylContact O-C 3.6Å; D150-N154 WeakPolarHBondContact O-CA 3.41Å; D150-N154 WeakPolarHBondContact O-CB 3.44Å; D150-N154 PolarHBondContact O-N 3.14Å; D150-N154 WeakPolarHBondContact OD1-CB 3.48Å; D150-N154 PolarHBondContact OD1-ND2 3.44Å; N154-T156 PolarHBondContact O-N 3.06Å
155	C	88.9	Confident	92.6	Very high	28 Å²	28	40.1 Å²	40.1	19%	0.189	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-47.8	131.8	173.1	174.7	0	0	0	0	111.7	M97 V151 L157	M97-C155 VanDerWaalsContact C-SG 3.56Å; M97-C155 PolarHBondContact O-SG 3.47Å; V151-C155 WeakPolarHBondContact O-CB 3.45Å; C155-L157 PolarHBondContact O-N 3.44Å; C155-L157 VanDerWaalsContact O-N 3.14Å
156	T	83.8	Confident	92.5	Very high	22 Å²	22	41.4 Å²	41.4	14%	0.135	22%	0.218	C	C	.	.			trans	-86.3	88.7	-177.9	-31.7	0	0	0	0	110.3	G101 T102 K103 N154 N158	G101-T156 WeakPolarHBondContact O-CB 3.43Å; G101-T156 PolarHBondContact O-N 2.92Å; G101-T156 PolarHBondContact O-OG1 3.2Å; T102-T156 WeakPolarHBondContact CA-OG1 3.42Å; T102-T156 PolarHBondContact N-OG1 2.87Å; K103-T156 PolarHBondContact N-OG1 2.79Å; N154-T156 PolarHBondContact O-N 3.06Å; T156-N158 WeakPolarHBondContact CG2-ND2 3.29Å; T156-N158 WeakPolarHBondContact CG2-OD1 3.44Å; T156-N158 PolarHBondContact O-N 3.15Å
157	L	90.3	Very high	92.5	Very high	15 Å²	15	43 Å²	43	8%	0.079	23%	0.233	C	C	.	.			trans	-73.5	70.2	172.9	-59.9	176.4	0	0	0	110.5	L94 M97 C155 I162 R214 L217 V218	L94-L157 HydrophobicContact CD1-CD2 4.07Å; M97-L157 HydrophobicContact CB-CD2 3.94Å; M97-L157 HydrophobicContact CE-CD2 4.41Å; M97-L157 HydrophobicContact CG-CD2 4.2Å; C155-L157 PolarHBondContact O-N 3.44Å; C155-L157 VanDerWaalsContact O-N 3.14Å; L157-I162 HydrophobicContact CB-CD1 4.45Å; L157-R214 HydrophobicContact CB-CG 4.31Å; L157-R214 VanDerWaalsContact O-CD 3.24Å; L157-R214 WeakPolarHBondContact O-CD 3.34Å; L157-R214 WeakPolarHBondContact O-CG 3.33Å; L157-R214 PolarHBondContact O-NE 3.2Å; L157-L217 HydrophobicContact CD1-CB 3.95Å; L157-L217 HydrophobicContact CD2-CB 4.3Å; L157-L217 HydrophobicContact CD2-CD1 4.16Å; L157-V218 HydrophobicContact CD1-CG2 3.67Å
158	N	91.1	Very high	92.5	Very high	73 Å²	73	45.9 Å²	45.9	39%	0.39	25%	0.251	S	S	.	.			trans	-83.8	143	172.9	-63.5	-40.4	0	0	0	110.5	T156 A160 D161 I162	T156-N158 WeakPolarHBondContact CG2-ND2 3.29Å; T156-N158 WeakPolarHBondContact CG2-OD1 3.44Å; T156-N158 PolarHBondContact O-N 3.15Å; N158-A160 PolarHBondContact O-N 3.13Å; N158-D161 HydrophobicContact CB-CB 4.2Å; N158-D161 VanDerWaalsContact CB-OD2 3.28Å; N158-D161 WeakPolarHBondContact CB-OD2 3.45Å; N158-D161 PolarHBondContact ND2-OD2 2.85Å; N158-D161 PolarHBondContact O-N 2.83Å; N158-I162 VanDerWaalsContact O-CG1 3.26Å; N158-I162 WeakPolarHBondContact O-CG1 3.35Å; N158-I162 PolarHBondContact O-N 2.82Å
159	E	92.7	Very high	92.5	Very high	144 Å²	144	45.9 Å²	45.9	67%	0.673	25%	0.251	S	S	*	.	H	α-helix	trans	-64.8	-36.9	-178.9	-62.6	179.3	173.6	0	0	113	I162 E163 R214	E159-I162 PolarHBondContact O-N 2.82Å; E159-E163 PolarHBondContact O-N 2.9Å; E159-R214 HydrophobicContact CG-CB 4.26Å
160	A	92.1	Very high	92.5	Very high	75 Å²	75	46.6 Å²	46.6	62%	0.62	26%	0.255	S	S	*	.	H	α-helix	trans	-65.2	-42.5	176.6	0	0	0	0	0	112.4	N158 E163 Q164	N158-A160 PolarHBondContact O-N 3.13Å; A160-E163 PolarHBondContact O-N 3.3Å; A160-Q164 WeakPolarHBondContact O-CB 3.21Å; A160-Q164 PolarHBondContact O-N 3.07Å
161	D	91.9	Very high	92.6	Very high	35 Å²	35	53.5 Å²	53.5	19%	0.187	28%	0.28	C	S	.	.	H	α-helix	trans	-69.5	-38.7	179	-61.4	-34	0	0	0	110.8	M97 K100 N158 Q164 Q165	M97-D161 HydrophobicContact CE-CB 3.87Å; K100-D161 HydrophobicContact CB-CB 4.44Å; K100-D161 HydrophobicContact CG-CB 4.35Å; N158-D161 HydrophobicContact CB-CB 4.2Å; N158-D161 VanDerWaalsContact CB-OD2 3.28Å; N158-D161 WeakPolarHBondContact CB-OD2 3.45Å; N158-D161 PolarHBondContact ND2-OD2 2.85Å; N158-D161 PolarHBondContact O-N 2.83Å; D161-Q164 PolarHBondContact O-N 3.1Å; D161-Q165 WeakPolarHBondContact O-CG 3.34Å; D161-Q165 PolarHBondContact O-N 3.38Å
162	I	94	Very high	92.7	Very high	5 Å²	5	56.9 Å²	56.9	3%	0.026	30%	0.295	C	S	.	.	H	α-helix	trans	-58.6	-50	172.4	-71.7	166	0	0	0	110.5	F93 M97 L157 N158 E159 Q164 Q165 R166 R214 L217	F93-I162 HydrophobicContact CE1-CB 4.39Å; F93-I162 HydrophobicContact CE1-CG1 4.45Å; F93-I162 HydrophobicContact CE1-CG2 3.87Å; F93-I162 HydrophobicContact CZ-CG2 3.95Å; F93-I162 WeakPolarHBondContact CZ-O 3.46Å; M97-I162 HydrophobicContact CE-CG1 3.69Å; M97-I162 HydrophobicContact CG-CG1 4.42Å; M97-I162 HydrophobicContact SD-CB 4.42Å; M97-I162 HydrophobicContact SD-CG1 3.77Å; L157-I162 HydrophobicContact CB-CD1 4.45Å; N158-I162 VanDerWaalsContact O-CG1 3.26Å; N158-I162 WeakPolarHBondContact O-CG1 3.35Å; N158-I162 PolarHBondContact O-N 2.82Å; E159-I162 PolarHBondContact O-N 2.82Å; I162-Q164 VanDerWaalsContact C-N 3.32Å; I162-Q164 PolarHBondContact O-N 3.45Å; I162-Q165 PolarHBondContact O-N 3.16Å; I162-R166 WeakPolarHBondContact O-CB 3.35Å; I162-R166 PolarHBondContact O-N 2.83Å; I162-R214 HydrophobicContact CD1-CB 3.81Å; I162-R214 HydrophobicContact CD1-CG 4.05Å; I162-L217 HydrophobicContact CD1-CD1 4.06Å; I162-L217 HydrophobicContact CG1-CD1 4.24Å
163	E	94.6	Very high	92.7	Very high	113 Å²	113	57.3 Å²	57.3	53%	0.528	30%	0.297	S	S	.	.	H	α-helix	trans	-67.1	-34.8	-178.6	-166.4	56.7	-151.3	0	0	112.1	E159 A160 R166	E159-E163 PolarHBondContact O-N 2.9Å; A160-E163 PolarHBondContact O-N 3.3Å; E163-R166 WeakPolarHBondContact O-CB 3.27Å; E163-R166 PolarHBondContact O-N 2.75Å; E163-R166 IonicContact OE1-NE 3.7Å; E163-R166 IonicContact OE2-CZ 3.5Å; E163-R166 IonicContact OE2-NE 2.75Å; E163-R166 PolarHBondContact OE2-NE 3.41Å; E163-R166 IonicContact OE2-NH2 3.34Å; E163-R166 PolarHBondContact OE2-NH2 2.84Å
164	Q	92.9	Very high	92.9	Very high	114 Å²	114	60.5 Å²	60.5	53%	0.533	31%	0.312	S	S	.	.	H	α-helix	trans	-63.5	-47.6	171.2	-173.7	179.8	-11.7	0	0	111.6	A160 D161 I162 R166 S167	A160-Q164 WeakPolarHBondContact O-CB 3.21Å; A160-Q164 PolarHBondContact O-N 3.07Å; D161-Q164 PolarHBondContact O-N 3.1Å; I162-Q164 VanDerWaalsContact C-N 3.32Å; I162-Q164 PolarHBondContact O-N 3.45Å; Q164-R166 VanDerWaalsContact C-N 3.3Å; Q164-R166 PolarHBondContact O-N 2.85Å; Q164-S167 PolarHBondContact O-N 3.4Å; Q164-S167 PolarHBondContact O-OG 3.41Å
165	Q	94.3	Very high	93	Very high	13 Å²	13	62.2 Å²	62.2	6%	0.061	32%	0.318	C	S	.	.	H	α-helix	trans	-68.2	-27.4	179	-68.1	-44.7	-91.1	0	0	113.1	F93 H96 M97 K100 D161 I162 S167 V168 V169	F93-Q165 HydrophobicContact CE1-CB 4.46Å; H96-Q165 HydrophobicContact CB-CB 4.43Å; H96-Q165 HydrophobicContact CB-CG 4.38Å; M97-Q165 HydrophobicContact SD-CB 4.08Å; M97-Q165 HydrophobicContact SD-CG 3.84Å; K100-Q165 HydrophobicContact CD-CG 3.74Å; K100-Q165 VanDerWaalsContact CE-CD 3.49Å; K100-Q165 HydrophobicContact CG-CG 3.86Å; D161-Q165 WeakPolarHBondContact O-CG 3.34Å; D161-Q165 PolarHBondContact O-N 3.38Å; I162-Q165 PolarHBondContact O-N 3.16Å; Q165-S167 PolarHBondContact O-N 3.47Å; Q165-V168 WeakPolarHBondContact O-CA 3.48Å; Q165-V168 WeakPolarHBondContact O-CB 3.33Å; Q165-V168 PolarHBondContact O-N 3.45Å; Q165-V169 WeakPolarHBondContact O-CG2 3.45Å; Q165-V169 PolarHBondContact O-N 2.96Å
166	R	95.3	Very high	93.1	Very high	27 Å²	27	62.7 Å²	62.7	10%	0.102	32%	0.319	C	S	.	.	H	α-helix	trans	-53.3	-39.9	175.6	-164.8	-177	-56.2	-71.7	6.1	112.7	F93 I162 E163 Q164 V168 L170 A209 L212	F93-R166 HydrophobicContact CE2-CB 4.24Å; F93-R166 HydrophobicContact CE2-CG 4.3Å; F93-R166 HydrophobicContact CZ-CB 4.11Å; I162-R166 WeakPolarHBondContact O-CB 3.35Å; I162-R166 PolarHBondContact O-N 2.83Å; E163-R166 WeakPolarHBondContact O-CB 3.27Å; E163-R166 PolarHBondContact O-N 2.75Å; E163-R166 IonicContact OE1-NE 3.7Å; E163-R166 IonicContact OE2-CZ 3.5Å; E163-R166 IonicContact OE2-NE 2.75Å; E163-R166 PolarHBondContact OE2-NE 3.41Å; E163-R166 IonicContact OE2-NH2 3.34Å; E163-R166 PolarHBondContact OE2-NH2 2.84Å; Q164-R166 VanDerWaalsContact C-N 3.3Å; Q164-R166 PolarHBondContact O-N 2.85Å; R166-V168 VanDerWaalsContact C-N 3.34Å; R166-L170 HydrophobicContact CG-CD1 4.24Å; R166-L170 WeakPolarHBondContact O-CB 3.33Å; R166-L170 VanDerWaalsContact O-CG 3.29Å; R166-L170 WeakPolarHBondContact O-CG 3.49Å; R166-L170 PolarHBondContact O-N 2.87Å; R166-A209 VanDerWaalsContact CG-O 3.32Å; R166-A209 WeakPolarHBondContact CG-O 3.18Å; R166-A209 PolarHBondContact NH1-O 3.15Å; R166-L212 PolarHBondContact NH1-O 2.87Å; R166-L212 PolarHBondContact NH2-O 3.49Å
167	S	94.8	Very high	93.3	Very high	77 Å²	77	68.1 Å²	68.1	54%	0.538	34%	0.343	S	S	.	.	H	α-helix	trans	-68.3	-31.3	176.5	70.8	0	0	0	0	113.6	Q164 Q165 R171	Q164-S167 PolarHBondContact O-N 3.4Å; Q164-S167 PolarHBondContact O-OG 3.41Å; Q165-S167 PolarHBondContact O-N 3.47Å; S167-R171 WeakPolarHBondContact O-CB 3.45Å; S167-R171 PolarHBondContact O-N 3.24Å
168	V	95.6	Very high	93.3	Very high	62 Å²	62	70.4 Å²	70.4	38%	0.376	37%	0.37	S	S	.	.	H	α-helix	trans	-75.4	-49	177.1	-176.5	0	0	0	0	110.1	Q165 R166 L170 R171 E172	Q165-V168 WeakPolarHBondContact O-CA 3.48Å; Q165-V168 WeakPolarHBondContact O-CB 3.33Å; Q165-V168 PolarHBondContact O-N 3.45Å; R166-V168 VanDerWaalsContact C-N 3.34Å; V168-L170 PolarHBondContact O-N 3.08Å; V168-R171 PolarHBondContact O-N 2.9Å; V168-R171 VanDerWaalsContact O-N 3.15Å; V168-E172 PolarHBondContact O-N 2.67Å
169	V	94.9	Very high	93.5	Very high	2 Å²	2	69.8 Å²	69.8	1%	0.012	37%	0.367	C	S	.	.	H	α-helix	trans	-54.2	-50.5	176.1	168.9	0	0	0	0	111	F92 F93 H96 Q165 R171 E172 M173 A209	F92-V169 HydrophobicContact CD1-CG1 4.31Å; F92-V169 HydrophobicContact CE1-CG1 4.01Å; F93-V169 HydrophobicContact CD2-CB 4.37Å; F93-V169 HydrophobicContact CD2-CG1 4.06Å; F93-V169 HydrophobicContact CD2-CG2 3.96Å; F93-V169 HydrophobicContact CE2-CB 4.31Å; F93-V169 HydrophobicContact CE2-CG1 4.36Å; F93-V169 HydrophobicContact CE2-CG2 4.04Å; F93-V169 HydrophobicContact CG-CG2 4.44Å; H96-V169 HydrophobicContact CB-CG2 4.41Å; Q165-V169 WeakPolarHBondContact O-CG2 3.45Å; Q165-V169 PolarHBondContact O-N 2.96Å; V169-R171 VanDerWaalsContact C-N 3.29Å; V169-R171 PolarHBondContact O-N 3.15Å; V169-E172 PolarHBondContact O-N 3.15Å; V169-M173 HydrophobicContact CG1-SD 4.18Å; V169-M173 VanDerWaalsContact O-CG 3.27Å; V169-M173 WeakPolarHBondContact O-CG 3.34Å; V169-M173 PolarHBondContact O-N 2.91Å; V169-A209 HydrophobicContact CG1-CB 4.15Å
170	L	95.8	Very high	93.6	Very high	21 Å²	21	64.6 Å²	64.6	11%	0.11	34%	0.344	C	S	.	.	H	α-helix	trans	-62.3	-36.5	179.8	-73.8	169.6	0	0	0	112.8	R166 V168 M173 E174 A209 R210	R166-L170 HydrophobicContact CG-CD1 4.24Å; R166-L170 WeakPolarHBondContact O-CB 3.33Å; R166-L170 VanDerWaalsContact O-CG 3.29Å; R166-L170 WeakPolarHBondContact O-CG 3.49Å; R166-L170 PolarHBondContact O-N 2.87Å; V168-L170 PolarHBondContact O-N 3.08Å; L170-M173 HydrophobicContact CD2-SD 4.3Å; L170-E174 WeakPolarHBondContact O-CG 3.41Å; L170-E174 PolarHBondContact O-N 2.86Å; L170-E174 VanDerWaalsContact O-N 3.15Å; L170-A209 HydrophobicContact CD2-CB 3.87Å; L170-R210 HydrophobicContact CD1-CG 3.84Å; L170-R210 HydrophobicContact CD2-CG 4.07Å
171	R	95.5	Very high	93.8	Very high	157 Å²	157	64.4 Å²	64.4	59%	0.592	33%	0.33	S	S	*	.	H	α-helix	trans	-70.5	-39.1	175.9	178.3	179	165.3	171.1	-2.3	112.1	S167 V168 V169 M173 E174 E175	S167-R171 WeakPolarHBondContact O-CB 3.45Å; S167-R171 PolarHBondContact O-N 3.24Å; V168-R171 PolarHBondContact O-N 2.9Å; V168-R171 VanDerWaalsContact O-N 3.15Å; V169-R171 VanDerWaalsContact C-N 3.29Å; V169-R171 PolarHBondContact O-N 3.15Å; R171-M173 VanDerWaalsContact C-N 3.3Å; R171-M173 PolarHBondContact O-N 3.29Å; R171-E174 WeakPolarHBondContact O-CB 3.22Å; R171-E174 PolarHBondContact O-N 2.88Å; R171-E175 IonicContact CZ-OE1 3.4Å; R171-E175 IonicContact NE-OE1 3.15Å; R171-E175 PolarHBondContact NE-OE1 3.44Å; R171-E175 IonicContact NH2-OE1 3.73Å; R171-E175 PolarHBondContact NH2-OE1 2.86Å; R171-E175 WeakPolarHBondContact O-CG 3.39Å; R171-E175 PolarHBondContact O-N 2.87Å
172	E	94.3	Very high	93.9	Very high	73 Å²	73	67.5 Å²	67.5	34%	0.341	34%	0.343	S	S	.	.	H	α-helix	trans	-64.5	-37.5	176	-172.8	166.2	157.5	0	0	111.2	F92 H96 V168 V169 E174 E175 V176	F92-E172 HydrophobicContact CZ-CG 4.28Å; H96-E172 IonicContact CE1-OE2 3.82Å; H96-E172 PolarHBondContact CE1-OE2 2.75Å; H96-E172 IonicContact NE2-OE2 2.62Å; V168-E172 PolarHBondContact O-N 2.67Å; V169-E172 PolarHBondContact O-N 3.15Å; E172-E174 PolarHBondContact O-N 2.85Å; E172-E175 PolarHBondContact O-N 3.44Å; E172-V176 WeakPolarHBondContact O-CG2 3.37Å; E172-V176 PolarHBondContact O-N 3.06Å
173	M	93.8	Very high	94	Very high	17 Å²	17	68.9 Å²	68.9	8%	0.084	35%	0.352	C	S	.	.	H	α-helix	trans	-59.7	-44.9	170.7	-63.2	171.7	79.8	0	0	112	V169 L170 R171 E175 V176 E177 L203 G204 A209	V169-M173 HydrophobicContact CG1-SD 4.18Å; V169-M173 VanDerWaalsContact O-CG 3.27Å; V169-M173 WeakPolarHBondContact O-CG 3.34Å; V169-M173 PolarHBondContact O-N 2.91Å; L170-M173 HydrophobicContact CD2-SD 4.3Å; R171-M173 VanDerWaalsContact C-N 3.3Å; R171-M173 PolarHBondContact O-N 3.29Å; M173-E175 VanDerWaalsContact C-N 3.31Å; M173-E175 PolarHBondContact O-N 2.8Å; M173-V176 PolarHBondContact O-N 2.94Å; M173-E177 PolarHBondContact O-N 3.5Å; M173-E177 VanDerWaalsContact O-N 3.09Å; M173-L203 HydrophobicContact CE-CB 4.31Å; M173-L203 HydrophobicContact CG-CB 4.36Å; M173-L203 HydrophobicContact CG-CD1 4.33Å; M173-G204 WeakPolarHBondContact CE-O 3.44Å; M173-A209 HydrophobicContact CE-CB 4.49Å; M173-A209 HydrophobicContact SD-CB 3.76Å
174	E	93.3	Very high	94.1	Very high	121 Å²	121	63.5 Å²	63.5	57%	0.565	33%	0.327	S	S	*	.	H	α-helix	trans	-63.2	-33.4	174.2	-70.5	170.4	-170.5	0	0	112.6	L170 R171 E172	L170-E174 WeakPolarHBondContact O-CG 3.41Å; L170-E174 PolarHBondContact O-N 2.86Å; L170-E174 VanDerWaalsContact O-N 3.15Å; R171-E174 WeakPolarHBondContact O-CB 3.22Å; R171-E174 PolarHBondContact O-N 2.88Å; E172-E174 PolarHBondContact O-N 2.85Å
175	E	92.7	Very high	94.3	Very high	113 Å²	113	60 Å²	60	53%	0.528	31%	0.311	S	S	.	.	H	α-helix	trans	-74.4	-36.1	176.2	-71.9	178.6	-172.8	0	0	112	R171 E172 M173 G178	R171-E175 IonicContact CZ-OE1 3.4Å; R171-E175 IonicContact NE-OE1 3.15Å; R171-E175 PolarHBondContact NE-OE1 3.44Å; R171-E175 IonicContact NH2-OE1 3.73Å; R171-E175 PolarHBondContact NH2-OE1 2.86Å; R171-E175 WeakPolarHBondContact O-CG 3.39Å; R171-E175 PolarHBondContact O-N 2.87Å; E172-E175 PolarHBondContact O-N 3.44Å; M173-E175 VanDerWaalsContact C-N 3.31Å; M173-E175 PolarHBondContact O-N 2.8Å; E175-G178 PolarHBondContact O-N 3.43Å
176	V	90.9	Very high	94.4	Very high	37 Å²	37	61.4 Å²	61.4	22%	0.224	32%	0.319	C	S	.	.	H	α-helix	trans	-69.3	-30.6	174.8	172.4	0	0	0	0	112.5	E172 M173 G178 N179 L203	E172-V176 WeakPolarHBondContact O-CG2 3.37Å; E172-V176 PolarHBondContact O-N 3.06Å; M173-V176 PolarHBondContact O-N 2.94Å; V176-G178 PolarHBondContact O-N 2.78Å; V176-G178 VanDerWaalsContact O-N 3.12Å; V176-N179 WeakPolarHBondContact O-CB 3.36Å; V176-N179 PolarHBondContact O-N 2.93Å; V176-L203 HydrophobicContact CB-CD1 4.14Å; V176-L203 HydrophobicContact CG1-CD1 3.96Å; V176-L203 HydrophobicContact CG2-CD1 4.29Å
177	E	88.6	Confident	94.5	Very high	137 Å²	137	61.3 Å²	61.3	64%	0.64	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-23.7	171.9	-76.2	-179.1	-173.1	0	0	112.7	M173 N179	M173-E177 PolarHBondContact O-N 3.5Å; M173-E177 VanDerWaalsContact O-N 3.09Å; E177-N179 VanDerWaalsContact C-N 3.3Å; E177-N179 PolarHBondContact O-N 2.97Å
178	G	90.9	Very high	94.7	Very high	63 Å²	63	57.6 Å²	57.6	65%	0.649	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-18.6	171.3	0	0	0	0	0	114.8	E175 V176 L180	E175-G178 PolarHBondContact O-N 3.43Å; V176-G178 PolarHBondContact O-N 2.78Å; V176-G178 VanDerWaalsContact O-N 3.12Å; G178-L180 PolarHBondContact O-N 3.42Å
179	N	94.7	Very high	94.8	Very high	59 Å²	59	55.1 Å²	55.1	32%	0.316	28%	0.279	S	S	.	.			trans	-92.4	82.9	177.9	-171.4	-5.2	0	0	0	111.3	V176 E177 Q181 E182 V183	V176-N179 WeakPolarHBondContact O-CB 3.36Å; V176-N179 PolarHBondContact O-N 2.93Å; E177-N179 VanDerWaalsContact C-N 3.3Å; E177-N179 PolarHBondContact O-N 2.97Å; N179-Q181 PolarHBondContact O-N 3.06Å; N179-Q181 PolarHBondContact OD1-N 2.68Å; N179-E182 HydrophobicContact CB-CB 4.33Å; N179-E182 WeakPolarHBondContact ND2-CG 3.38Å; N179-E182 PolarHBondContact ND2-OE1 3.26Å; N179-E182 PolarHBondContact ND2-OE2 3.45Å; N179-E182 VanDerWaalsContact ND2-OE2 3.1Å; N179-E182 PolarHBondContact O-N 3.39Å; N179-V183 PolarHBondContact O-N 2.77Å
180	L	95.4	Very high	94.9	Very high	36 Å²	36	56.9 Å²	56.9	19%	0.188	29%	0.294	C	S	.	.	H	α-helix	trans	-57.8	-21.1	-178	-59.7	178.3	0	0	0	114.5	G178 C184 L283 H287 V462	G178-L180 PolarHBondContact O-N 3.42Å; L180-C184 WeakPolarHBondContact O-CB 3.44Å; L180-C184 PolarHBondContact O-N 2.95Å; L180-L283 HydrophobicContact CD1-CD1 3.8Å; L180-L283 HydrophobicContact CD1-CD2 4.18Å; L180-L283 HydrophobicContact CD2-CD1 4.2Å; L180-H287 HydrophobicContact CB-CB 4.41Å; L180-V462 HydrophobicContact CD2-CG1 4.17Å
181	Q	95.3	Very high	95	Very high	71 Å²	71	56.1 Å²	56.1	33%	0.332	29%	0.29	S	S	.	.	H	α-helix	trans	-68.6	-48.8	172.2	179.1	163.4	-16	0	0	111.5	N179 C184 L185 Y360	N179-Q181 PolarHBondContact O-N 3.06Å; N179-Q181 PolarHBondContact OD1-N 2.68Å; Q181-C184 PolarHBondContact O-N 3.49Å; Q181-L185 HydrophobicContact CG-CD1 4.16Å; Q181-L185 WeakPolarHBondContact O-CB 3.28Å; Q181-L185 WeakPolarHBondContact O-CG 3.44Å; Q181-L185 PolarHBondContact O-N 3.5Å; Q181-Y360 WeakPolarHBondContact CA-OH 3.4Å; Q181-Y360 HydrophobicContact CB-CE1 4.23Å; Q181-Y360 HydrophobicContact CB-CE2 4.41Å; Q181-Y360 VanDerWaalsContact CB-OH 3.26Å; Q181-Y360 WeakPolarHBondContact CB-OH 3.13Å; Q181-Y360 HydrophobicContact CG-CD1 4.25Å; Q181-Y360 HydrophobicContact CG-CE1 3.62Å; Q181-Y360 HydrophobicContact CG-CE2 4.15Å
182	E	94.4	Very high	95.1	Very high	99 Å²	99	48.6 Å²	48.6	46%	0.463	26%	0.262	S	S	.	.	H	α-helix	trans	-67.8	-43	178.9	-78	169.2	-167.5	0	0	110.8	N179 C184 L185 D186	N179-E182 HydrophobicContact CB-CB 4.33Å; N179-E182 WeakPolarHBondContact ND2-CG 3.38Å; N179-E182 PolarHBondContact ND2-OE1 3.26Å; N179-E182 PolarHBondContact ND2-OE2 3.45Å; N179-E182 VanDerWaalsContact ND2-OE2 3.1Å; N179-E182 PolarHBondContact O-N 3.39Å; E182-C184 PolarHBondContact O-N 2.83Å; E182-L185 PolarHBondContact O-N 3.31Å; E182-D186 WeakPolarHBondContact O-CB 3.42Å; E182-D186 PolarHBondContact O-N 2.91Å
183	V	95.9	Very high	95.2	Very high	34 Å²	34	45.1 Å²	45.1	21%	0.206	25%	0.246	C	C	.	.	H	α-helix	trans	-55.8	-49.6	173	176.8	0	0	0	0	111.1	N179 L185 D186 L187 V462	N179-V183 PolarHBondContact O-N 2.77Å; V183-L185 VanDerWaalsContact C-N 3.35Å; V183-L185 PolarHBondContact O-N 2.8Å; V183-D186 PolarHBondContact O-N 2.8Å; V183-L187 HydrophobicContact CG1-CD1 3.91Å; V183-L187 HydrophobicContact CG1-CG 4.41Å; V183-L187 WeakPolarHBondContact O-CB 3.19Å; V183-L187 WeakPolarHBondContact O-CG 3.46Å; V183-L187 PolarHBondContact O-N 3.19Å; V183-V462 HydrophobicContact CG1-CG2 4.49Å
184	C	97.1	Very high	95.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.2	-40.2	179.1	-173.7	0	0	0	0	112.3	L180 Q181 E182 L188 H287 Y360 A460 V462	L180-C184 WeakPolarHBondContact O-CB 3.44Å; L180-C184 PolarHBondContact O-N 2.95Å; Q181-C184 PolarHBondContact O-N 3.49Å; E182-C184 PolarHBondContact O-N 2.83Å; C184-L188 WeakPolarHBondContact O-CB 3.09Å; C184-L188 PolarHBondContact O-N 3.3Å; C184-H287 HydrophobicContact CB-CB 4.37Å; C184-H287 PolarHBondContact SG-O 2.61Å; C184-Y360 HydrophobicContact CB-CE2 4.39Å; C184-A460 VanDerWaalsContact O-CB 3.28Å; C184-A460 WeakPolarHBondContact O-CB 3.42Å; C184-V462 HydrophobicContact CB-CG2 4.19Å
185	L	96.9	Very high	95.2	Very high	40 Å²	40	46.9 Å²	46.9	21%	0.209	28%	0.277	C	S	.	.	H	α-helix	trans	-71.6	-35.9	177.1	-70.2	173.8	0	0	0	112.9	Q181 E182 V183 L188 H189 A289 F347	Q181-L185 HydrophobicContact CG-CD1 4.16Å; Q181-L185 WeakPolarHBondContact O-CB 3.28Å; Q181-L185 WeakPolarHBondContact O-CG 3.44Å; Q181-L185 PolarHBondContact O-N 3.5Å; E182-L185 PolarHBondContact O-N 3.31Å; V183-L185 VanDerWaalsContact C-N 3.35Å; V183-L185 PolarHBondContact O-N 2.8Å; L185-L188 HydrophobicContact CD2-CD2 4.35Å; L185-L188 WeakPolarHBondContact O-CB 3.36Å; L185-L188 PolarHBondContact O-N 2.82Å; L185-H189 PolarHBondContact O-N 3.39Å; L185-H189 VanDerWaalsContact O-N 3.09Å; L185-H189 PolarHBondContact O-ND1 2.97Å; L185-A289 HydrophobicContact CD2-CB 4.24Å; L185-F347 HydrophobicContact CD2-CD1 4.5Å; L185-F347 HydrophobicContact CD2-CE1 3.98Å; L185-F347 HydrophobicContact CD2-CE2 4.5Å; L185-F347 HydrophobicContact CD2-CZ 3.98Å
186	D	96.5	Very high	95.3	Very high	43 Å²	43	42.7 Å²	42.7	23%	0.23	26%	0.259	C	S	.	.	H	α-helix	trans	-70.3	-38.8	175.8	-112.5	30.7	0	0	0	111.6	R127 E182 V183 L188 H189 A190 S201	R127-D186 IonicContact CZ-OD1 2.72Å; R127-D186 VanDerWaalsContact CZ-OD1 3.23Å; R127-D186 IonicContact NH1-OD1 2.83Å; R127-D186 PolarHBondContact NH1-OD1 2.88Å; R127-D186 VanDerWaalsContact NH2-CG 3.31Å; R127-D186 IonicContact NH2-OD1 3.89Å; R127-D186 PolarHBondContact NH2-OD1 2.8Å; R127-D186 IonicContact NH2-OD2 3.46Å; E182-D186 WeakPolarHBondContact O-CB 3.42Å; E182-D186 PolarHBondContact O-N 2.91Å; V183-D186 PolarHBondContact O-N 2.8Å; D186-L188 VanDerWaalsContact C-N 3.29Å; D186-L188 PolarHBondContact O-N 3.08Å; D186-H189 PolarHBondContact O-N 3.02Å; D186-A190 PolarHBondContact O-N 3.32Å; D186-S201 WeakPolarHBondContact OD2-CA 3.45Å; D186-S201 WeakPolarHBondContact OD2-CB 3.43Å; D186-S201 PolarHBondContact OD2-OG 2.91Å
187	L	97.3	Very high	95.5	Very high	25 Å²	25	43.3 Å²	43.3	13%	0.131	26%	0.264	C	S	.	.	H	α-helix	trans	-60.6	-38	169.5	-69.3	171.9	0	0	0	112.2	V183 A190 T191 I276 M278 A460 V462	V183-L187 HydrophobicContact CG1-CD1 3.91Å; V183-L187 HydrophobicContact CG1-CG 4.41Å; V183-L187 WeakPolarHBondContact O-CB 3.19Å; V183-L187 WeakPolarHBondContact O-CG 3.46Å; V183-L187 PolarHBondContact O-N 3.19Å; L187-A190 PolarHBondContact O-N 3.2Å; L187-T191 PolarHBondContact O-N 3.43Å; L187-I276 HydrophobicContact CB-CG2 3.89Å; L187-I276 HydrophobicContact CD2-CD1 3.9Å; L187-M278 HydrophobicContact CD1-CE 4.03Å; L187-M278 HydrophobicContact CD1-CG 4.23Å; L187-M278 HydrophobicContact CD1-SD 3.63Å; L187-M278 HydrophobicContact CD2-CE 3.57Å; L187-M278 HydrophobicContact CD2-SD 4.3Å; L187-M278 HydrophobicContact CG-CE 4.46Å; L187-A460 HydrophobicContact CB-CB 4.03Å; L187-V462 HydrophobicContact CD1-CG2 3.75Å
188	L	98.4	Very high	95.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.6	-43.9	174	-178.7	70.6	0	0	0	111.4	C184 L185 D186 T191 A192 A289 A291 F347 L356 A458 A460	C184-L188 WeakPolarHBondContact O-CB 3.09Å; C184-L188 PolarHBondContact O-N 3.3Å; L185-L188 HydrophobicContact CD2-CD2 4.35Å; L185-L188 WeakPolarHBondContact O-CB 3.36Å; L185-L188 PolarHBondContact O-N 2.82Å; D186-L188 VanDerWaalsContact C-N 3.29Å; D186-L188 PolarHBondContact O-N 3.08Å; L188-T191 PolarHBondContact O-N 3.08Å; L188-A192 WeakPolarHBondContact O-CB 3.35Å; L188-A192 PolarHBondContact O-N 2.73Å; L188-A289 HydrophobicContact CD2-CB 3.97Å; L188-A291 HydrophobicContact CD1-CB 4.24Å; L188-A291 HydrophobicContact CD2-CB 3.84Å; L188-A291 HydrophobicContact CG-CB 4.46Å; L188-F347 HydrophobicContact CD2-CE2 4.12Å; L188-F347 HydrophobicContact CD2-CZ 3.54Å; L188-L356 HydrophobicContact CD2-CD1 4.3Å; L188-A458 HydrophobicContact CD1-CB 3.91Å; L188-A458 WeakPolarHBondContact CD1-O 3.43Å; L188-A460 HydrophobicContact CB-CB 3.81Å; L188-A460 HydrophobicContact CD1-CB 4.36Å
189	H	97.8	Very high	96	Very high	10 Å²	10	34.5 Å²	34.5	5%	0.046	21%	0.21	C	C	.	.	H	α-helix	trans	-64.1	-43.5	175.4	-70.6	81.1	0	0	0	111.4	L185 D186 T191 A192 Y193 Y351 L356	L185-H189 PolarHBondContact O-N 3.39Å; L185-H189 VanDerWaalsContact O-N 3.09Å; L185-H189 PolarHBondContact O-ND1 2.97Å; D186-H189 PolarHBondContact O-N 3.02Å; H189-T191 VanDerWaalsContact C-N 3.33Å; H189-T191 PolarHBondContact O-N 2.6Å; H189-A192 PolarHBondContact O-N 2.7Å; H189-Y193 WeakPolarHBondContact O-CB 3.37Å; H189-Y193 PolarHBondContact O-N 3.38Å; H189-Y351 PolarHBondContact CD2-OH 3.48Å; H189-Y351 AromaticContact NE2-CZ 3.97Å; H189-Y351 PolarHBondContact NE2-OH 2.95Å; H189-L356 WeakPolarHBondContact NE2-CD1 3.28Å
190	A	96.9	Very high	96	Very high	39 Å²	39	33 Å²	33	32%	0.322	20%	0.201	S	C	.	.	H	α-helix	trans	-59.7	-40.5	178.8	0	0	0	0	0	112.7	D186 L187 Q194 G199	D186-A190 PolarHBondContact O-N 3.32Å; L187-A190 PolarHBondContact O-N 3.2Å; A190-Q194 VanDerWaalsContact O-CG 3.3Å; A190-Q194 WeakPolarHBondContact O-CG 3.49Å; A190-G199 WeakPolarHBondContact CA-O 3.46Å
191	T	97.7	Very high	96	Very high	4 Å²	4	32.9 Å²	32.9	3%	0.025	20%	0.203	C	C	.	.	H	α-helix	trans	-81.7	-31.7	176.2	-155.6	0	0	0	0	113.2	L187 L188 H189 Y193 Q194 T272 S274 I276 A458	L187-T191 PolarHBondContact O-N 3.43Å; L188-T191 PolarHBondContact O-N 3.08Å; H189-T191 VanDerWaalsContact C-N 3.33Å; H189-T191 PolarHBondContact O-N 2.6Å; T191-Y193 VanDerWaalsContact C-N 3.35Å; T191-Y193 PolarHBondContact O-N 2.88Å; T191-Q194 WeakPolarHBondContact O-CG 3.05Å; T191-Q194 PolarHBondContact OG1-NE2 3.07Å; T191-T272 PolarHBondContact O-OG1 3.03Å; T191-S274 PolarHBondContact O-OG 2.99Å; T191-S274 PolarHBondContact OG1-OG 3.43Å; T191-I276 HydrophobicContact CG2-CG2 3.91Å; T191-A458 HydrophobicContact CG2-CB 4.25Å
192	A	98.1	Very high	96	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-72.6	-24.3	177.7	0	0	0	0	0	113.7	L188 H189 F271 T272 L356 A458	L188-A192 WeakPolarHBondContact O-CB 3.35Å; L188-A192 PolarHBondContact O-N 2.73Å; H189-A192 PolarHBondContact O-N 2.7Å; A192-F271 HydrophobicContact CB-CD2 4.07Å; A192-F271 HydrophobicContact CB-CE2 3.73Å; A192-F271 HydrophobicContact CB-CZ 4.48Å; A192-F271 CarbonylContact O-C 3.51Å; A192-F271 VanDerWaalsContact O-CA 3.28Å; A192-F271 WeakPolarHBondContact O-CA 3.36Å; A192-T272 PolarHBondContact O-N 2.87Å; A192-T272 PolarHBondContact O-OG1 3.29Å; A192-L356 HydrophobicContact CB-CD2 3.9Å; A192-A458 HydrophobicContact CB-CB 3.69Å
193	Y	97.3	Very high	96	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.8	36.6	-172.3	-69.8	-64.1	0	0	0	113	H189 T191 G195 T196 L198 C269 F271 T354 G355 L356	H189-Y193 WeakPolarHBondContact O-CB 3.37Å; H189-Y193 PolarHBondContact O-N 3.38Å; T191-Y193 VanDerWaalsContact C-N 3.35Å; T191-Y193 PolarHBondContact O-N 2.88Å; Y193-G195 PolarHBondContact O-N 2.96Å; Y193-T196 WeakPolarHBondContact CB-OG1 3.42Å; Y193-T196 PolarHBondContact O-N 2.93Å; Y193-T196 PolarHBondContact O-OG1 2.87Å; Y193-L198 HydrophobicContact CD1-CB 4.22Å; Y193-L198 HydrophobicContact CD1-CD1 4.39Å; Y193-L198 HydrophobicContact CD2-CB 3.93Å; Y193-L198 HydrophobicContact CE1-CD1 4.21Å; Y193-L198 HydrophobicContact CE2-CD1 4.41Å; Y193-L198 HydrophobicContact CG-CB 3.77Å; Y193-C269 HydrophobicContact CD1-CB 4.16Å; Y193-C269 HydrophobicContact CE1-CB 4.46Å; Y193-F271 HydrophobicContact CE1-CB 4.22Å; Y193-F271 HydrophobicContact CE1-CD2 4.3Å; Y193-T354 HydrophobicContact CE1-CG2 3.61Å; Y193-T354 WeakPolarHBondContact OH-CG2 3.29Å; Y193-T354 PolarHBondContact OH-OG1 3.35Å; Y193-G355 VanDerWaalsContact OH-C 3.29Å; Y193-G355 PolarHBondContact OH-O 3.2Å; Y193-L356 HydrophobicContact CE2-CD1 4.23Å; Y193-L356 HydrophobicContact CE2-CD2 3.69Å; Y193-L356 HydrophobicContact CE2-CG 3.9Å
194	Q	94.6	Very high	96	Very high	89 Å²	89	26.2 Å²	26.2	42%	0.416	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	127.2	-174	-70.8	176	9.3	0	0	113.1	A190 T191 T196 T272 S274	A190-Q194 VanDerWaalsContact O-CG 3.3Å; A190-Q194 WeakPolarHBondContact O-CG 3.49Å; T191-Q194 WeakPolarHBondContact O-CG 3.05Å; T191-Q194 PolarHBondContact OG1-NE2 3.07Å; Q194-T196 VanDerWaalsContact C-N 3.29Å; Q194-T196 PolarHBondContact O-N 3.17Å; Q194-T272 HydrophobicContact CB-CG2 4.49Å; Q194-T272 PolarHBondContact N-OG1 3.5Å; Q194-S274 PolarHBondContact NE2-OG 3.28Å
195	G	91.8	Very high	95.8	Very high	86 Å²	86	28.8 Å²	28.8	89%	0.887	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.8	17.7	-179.6	0	0	0	0	0	114.3	Y193	Y193-G195 PolarHBondContact O-N 2.96Å
196	T	95	Very high	95.7	Very high	24 Å²	24	29.7 Å²	29.7	15%	0.147	20%	0.2	C	C	.	.	S	Bend	trans	-128.7	156.5	175.3	78	0	0	0	0	111	Y193 Q194 L198 G199	Y193-T196 WeakPolarHBondContact CB-OG1 3.42Å; Y193-T196 PolarHBondContact O-N 2.93Å; Y193-T196 PolarHBondContact O-OG1 2.87Å; Q194-T196 VanDerWaalsContact C-N 3.29Å; Q194-T196 PolarHBondContact O-N 3.17Å; T196-L198 VanDerWaalsContact C-N 3.25Å; T196-L198 PolarHBondContact O-N 3.16Å; T196-G199 PolarHBondContact O-N 2.99Å
197	P	94.4	Very high	95.6	Very high	51 Å²	51	30.5 Å²	30.5	33%	0.331	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-61.9	-25.5	-175.9	-25.3	35.5	0	0	0	115.1	R81 G199 Q200	R81-P197 HydrophobicContact CB-CB 4.5Å; R81-P197 HydrophobicContact CG-CB 3.95Å; R81-P197 WeakPolarHBondContact O-CB 3.39Å; P197-G199 PolarHBondContact O-N 3.5Å; P197-Q200 WeakPolarHBondContact O-CB 3.24Å; P197-Q200 PolarHBondContact O-N 3.35Å
198	L	95.6	Very high	95.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-66.6	-21.4	174.6	-83	-177.5	0	0	0	113.7	R81 R127 Y193 T196 Q200 C269 Y351 T354	R81-L198 HydrophobicContact CB-CD2 4.25Å; R81-L198 HydrophobicContact CG-CD2 4.01Å; R81-L198 HydrophobicContact CG-CG 4.11Å; R127-L198 HydrophobicContact CB-CD2 4.19Å; R127-L198 PolarHBondContact NE-O 2.75Å; Y193-L198 HydrophobicContact CD1-CB 4.22Å; Y193-L198 HydrophobicContact CD1-CD1 4.39Å; Y193-L198 HydrophobicContact CD2-CB 3.93Å; Y193-L198 HydrophobicContact CE1-CD1 4.21Å; Y193-L198 HydrophobicContact CE2-CD1 4.41Å; Y193-L198 HydrophobicContact CG-CB 3.77Å; T196-L198 VanDerWaalsContact C-N 3.25Å; T196-L198 PolarHBondContact O-N 3.16Å; L198-Q200 VanDerWaalsContact C-N 3.26Å; L198-Q200 PolarHBondContact O-N 3.27Å; L198-C269 HydrophobicContact CB-CB 4.27Å; L198-C269 HydrophobicContact CD1-CB 3.7Å; L198-C269 HydrophobicContact CG-CB 4.13Å; L198-Y351 HydrophobicContact CD1-CD2 3.76Å; L198-Y351 HydrophobicContact CD1-CE2 4.39Å; L198-Y351 HydrophobicContact CD1-CG 4.05Å; L198-Y351 HydrophobicContact CD2-CD1 4.03Å; L198-Y351 HydrophobicContact CD2-CD2 4.12Å; L198-Y351 HydrophobicContact CD2-CE1 4.21Å; L198-Y351 HydrophobicContact CD2-CE2 4.29Å; L198-Y351 HydrophobicContact CD2-CG 4Å; L198-T354 HydrophobicContact CD1-CG2 3.59Å
199	G	95.3	Very high	95.3	Very high	15 Å²	15	30.7 Å²	30.7	16%	0.155	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-78	-8.2	175.2	0	0	0	0	0	114	A190 T196 P197	A190-G199 WeakPolarHBondContact CA-O 3.46Å; T196-G199 PolarHBondContact O-N 2.99Å; P197-G199 PolarHBondContact O-N 3.5Å
200	Q	95	Very high	95.2	Very high	28 Å²	28	36.6 Å²	36.6	13%	0.131	23%	0.233	C	C	.	.	S	Bend	trans	-76.7	146.1	176.6	-62.4	-173.3	-5.1	0	0	110.9	R127 P197 L198	R127-Q200 PolarHBondContact NH2-O 3.15Å; R127-Q200 VanDerWaalsContact NH2-O 3.08Å; P197-Q200 WeakPolarHBondContact O-CB 3.24Å; P197-Q200 PolarHBondContact O-N 3.35Å; L198-Q200 VanDerWaalsContact C-N 3.26Å; L198-Q200 PolarHBondContact O-N 3.27Å
201	S	95.1	Very high	95.1	Very high	33 Å²	33	40.5 Å²	40.5	23%	0.231	25%	0.248	C	C	.	.			trans	-69.2	153.4	172.5	-179	0	0	0	0	110.2	S80 N88 D186 L203	S80-S201 WeakPolarHBondContact CB-O 3.06Å; N88-S201 PolarHBondContact ND2-O 3.2Å; D186-S201 WeakPolarHBondContact OD2-CA 3.45Å; D186-S201 WeakPolarHBondContact OD2-CB 3.43Å; D186-S201 PolarHBondContact OD2-OG 2.91Å; S201-L203 VanDerWaalsContact C-N 3.35Å; S201-L203 PolarHBondContact OG-N 3.48Å
202	V	95.7	Very high	95	Very high	21 Å²	21	40.5 Å²	40.5	13%	0.127	25%	0.248	C	C	.	.	S	Bend	trans	-68.2	-37.1	173	178.8	0	0	0	0	111.3	T125 R127	T125-V202 HydrophobicContact CG2-CG1 4.03Å; T125-V202 WeakPolarHBondContact O-CG1 3.45Å; R127-V202 HydrophobicContact CG-CG2 3.88Å
203	L	94.9	Very high	94.9	Very high	35 Å²	35	43.7 Å²	43.7	18%	0.183	27%	0.267	C	S	.	.	S	Bend	trans	-78.2	-24.8	180	-50	-179	0	0	0	112.4	G89 F92 M173 V176 S201	G89-L203 WeakPolarHBondContact CA-O 3.3Å; F92-L203 HydrophobicContact CD1-CB 4.28Å; F92-L203 HydrophobicContact CD1-CD2 3.74Å; F92-L203 HydrophobicContact CD2-CD2 3.79Å; F92-L203 HydrophobicContact CE1-CD2 3.63Å; F92-L203 HydrophobicContact CE2-CD2 3.68Å; F92-L203 HydrophobicContact CG-CD2 3.83Å; F92-L203 HydrophobicContact CZ-CD2 3.6Å; M173-L203 HydrophobicContact CE-CB 4.31Å; M173-L203 HydrophobicContact CG-CB 4.36Å; M173-L203 HydrophobicContact CG-CD1 4.33Å; V176-L203 HydrophobicContact CB-CD1 4.14Å; V176-L203 HydrophobicContact CG1-CD1 3.96Å; V176-L203 HydrophobicContact CG2-CD1 4.29Å; S201-L203 VanDerWaalsContact C-N 3.35Å; S201-L203 PolarHBondContact OG-N 3.48Å
204	G	94.1	Very high	94.7	Very high	7 Å²	7	48.4 Å²	48.4	7%	0.072	29%	0.285	C	S	.	.			trans	72.2	175.9	-169.8	0	0	0	0	0	113.5	N88 M173	N88-G204 WeakPolarHBondContact OD1-CA 3.4Å; M173-G204 WeakPolarHBondContact CE-O 3.44Å
205	P	93.9	Very high	94.8	Very high	55 Å²	55	48.8 Å²	48.8	36%	0.357	29%	0.287	S	S	.	.			trans	-76.2	146.3	177.6	31.4	-34.7	0	0	0	111	N88 S207 N208 A209	N88-P205 WeakPolarHBondContact OD1-CD 3.44Å; P205-S207 PolarHBondContact O-N 2.99Å; P205-N208 HydrophobicContact CG-CB 3.94Å; P205-N208 WeakPolarHBondContact O-CB 3.38Å; P205-N208 PolarHBondContact O-N 3.21Å; P205-A209 PolarHBondContact O-N 3.35Å; P205-A209 VanDerWaalsContact O-N 3.16Å
206	S	94.1	Very high	94.9	Very high	59 Å²	59	47.2 Å²	47.2	41%	0.413	26%	0.258	S	S	.	.	H	α-helix	trans	-61.4	-20.5	-179.8	65	0	0	0	0	113.4	R210	S206-R210 WeakPolarHBondContact O-CB 3.45Å; S206-R210 WeakPolarHBondContact O-CD 3.14Å; S206-R210 VanDerWaalsContact O-CG 3.24Å; S206-R210 WeakPolarHBondContact O-CG 3.39Å; S206-R210 PolarHBondContact O-N 3.35Å; S206-R210 VanDerWaalsContact O-N 3.08Å
207	S	95.1	Very high	94.9	Very high	60 Å²	60	46 Å²	46	42%	0.42	25%	0.251	S	S	.	.	H	α-helix	trans	-64.8	-37.7	168.5	56.7	0	0	0	0	113.1	P205 N211	P205-S207 PolarHBondContact O-N 2.99Å; S207-N211 PolarHBondContact O-N 2.83Å; S207-N211 PolarHBondContact O-ND2 2.94Å
208	N	95.6	Very high	94.9	Very high	25 Å²	25	45.7 Å²	45.7	13%	0.134	25%	0.248	C	C	.	.	H	α-helix	trans	-75.2	-45	176.2	-71.1	10	0	0	0	109.8	E85 N88 P205 R210 N211 L212	E85-N208 PolarHBondContact O-ND2 2.88Å; N88-N208 VanDerWaalsContact O-CB 3.31Å; N88-N208 WeakPolarHBondContact O-CB 3.04Å; N88-N208 PolarHBondContact O-ND2 3.42Å; P205-N208 HydrophobicContact CG-CB 3.94Å; P205-N208 WeakPolarHBondContact O-CB 3.38Å; P205-N208 PolarHBondContact O-N 3.21Å; N208-R210 PolarHBondContact O-N 3.34Å; N208-R210 VanDerWaalsContact O-N 3.08Å; N208-N211 PolarHBondContact O-N 2.93Å; N208-L212 WeakPolarHBondContact O-CG 3.28Å; N208-L212 PolarHBondContact O-N 3.2Å
209	A	94.2	Very high	94.8	Very high	4 Å²	4	49.1 Å²	49.1	3%	0.033	27%	0.266	C	S	.	.	H	α-helix	trans	-54.5	-30.3	174.3	0	0	0	0	0	112.8	R166 V169 L170 M173 P205	R166-A209 VanDerWaalsContact CG-O 3.32Å; R166-A209 WeakPolarHBondContact CG-O 3.18Å; R166-A209 PolarHBondContact NH1-O 3.15Å; V169-A209 HydrophobicContact CG1-CB 4.15Å; L170-A209 HydrophobicContact CD2-CB 3.87Å; M173-A209 HydrophobicContact CE-CB 4.49Å; M173-A209 HydrophobicContact SD-CB 3.76Å; P205-A209 PolarHBondContact O-N 3.35Å; P205-A209 VanDerWaalsContact O-N 3.16Å
210	R	95.1	Very high	94.7	Very high	134 Å²	134	48.5 Å²	48.5	51%	0.506	26%	0.259	S	S	.	.	H	α-helix	trans	-75.9	-28.8	173.1	-74.3	168.7	-163.6	-80.4	-2.8	115.2	L170 S206 N208	L170-R210 HydrophobicContact CD1-CG 3.84Å; L170-R210 HydrophobicContact CD2-CG 4.07Å; S206-R210 WeakPolarHBondContact O-CB 3.45Å; S206-R210 WeakPolarHBondContact O-CD 3.14Å; S206-R210 VanDerWaalsContact O-CG 3.24Å; S206-R210 WeakPolarHBondContact O-CG 3.39Å; S206-R210 PolarHBondContact O-N 3.35Å; S206-R210 VanDerWaalsContact O-N 3.08Å; N208-R210 PolarHBondContact O-N 3.34Å; N208-R210 VanDerWaalsContact O-N 3.08Å
211	N	95.1	Very high	94.6	Very high	121 Å²	121	48.8 Å²	48.8	65%	0.647	26%	0.263	S	S	*	.	H	α-helix	trans	-113.3	-13.5	-168.9	-69.2	-62	0	0	0	114.7	S207 N208 T213	S207-N211 PolarHBondContact O-N 2.83Å; S207-N211 PolarHBondContact O-ND2 2.94Å; N208-N211 PolarHBondContact O-N 2.93Å; N211-T213 WeakPolarHBondContact O-CG2 3.4Å; N211-T213 PolarHBondContact O-N 3.01Å
212	L	95.6	Very high	94.5	Very high	4 Å²	4	50 Å²	50	2%	0.021	27%	0.272	C	S	.	.			trans	-53	124	176.6	-86	169.1	0	0	0	110.6	N87 A90 F93 R166 N208 D216	N87-L212 HydrophobicContact CB-CD2 4.17Å; A90-L212 HydrophobicContact CB-CD2 4.29Å; F93-L212 HydrophobicContact CB-CD1 4.37Å; F93-L212 HydrophobicContact CD2-CD1 4.42Å; R166-L212 PolarHBondContact NH1-O 2.87Å; R166-L212 PolarHBondContact NH2-O 3.49Å; N208-L212 WeakPolarHBondContact O-CG 3.28Å; N208-L212 PolarHBondContact O-N 3.2Å; L212-D216 HydrophobicContact CD2-CB 3.89Å
213	T	94.6	Very high	94.2	Very high	66 Å²	66	52 Å²	52	41%	0.405	29%	0.286	S	S	.	.			trans	-97.7	166.6	-178	76.8	0	0	0	0	111.3	N211 Q215 D216 L217	N211-T213 WeakPolarHBondContact O-CG2 3.4Å; N211-T213 PolarHBondContact O-N 3.01Å; T213-Q215 PolarHBondContact O-N 2.62Å; T213-Q215 PolarHBondContact OG1-N 3.34Å; T213-D216 WeakPolarHBondContact CA-OD2 3.38Å; T213-D216 VanDerWaalsContact CB-OD2 3.27Å; T213-D216 WeakPolarHBondContact CB-OD2 3.43Å; T213-D216 WeakPolarHBondContact CG2-OD2 3.23Å; T213-D216 PolarHBondContact N-OD2 3.19Å; T213-D216 PolarHBondContact O-N 3.25Å; T213-D216 PolarHBondContact OG1-N 3.06Å; T213-D216 PolarHBondContact OG1-OD2 3.26Å; T213-L217 PolarHBondContact O-N 2.92Å
214	R	95.1	Very high	94.1	Very high	99 Å²	99	51.7 Å²	51.7	37%	0.374	28%	0.284	S	S	.	.	H	α-helix	trans	-54.2	-37.2	170	-177.8	-174.3	176.6	-75.7	-14.4	112.5	L157 E159 I162 L217 V218	L157-R214 HydrophobicContact CB-CG 4.31Å; L157-R214 VanDerWaalsContact O-CD 3.24Å; L157-R214 WeakPolarHBondContact O-CD 3.34Å; L157-R214 WeakPolarHBondContact O-CG 3.33Å; L157-R214 PolarHBondContact O-NE 3.2Å; E159-R214 HydrophobicContact CG-CB 4.26Å; I162-R214 HydrophobicContact CD1-CB 3.81Å; I162-R214 HydrophobicContact CD1-CG 4.05Å; R214-L217 PolarHBondContact O-N 3.5Å; R214-V218 WeakPolarHBondContact O-CG2 3.34Å; R214-V218 PolarHBondContact O-N 2.95Å; R214-V218 VanDerWaalsContact O-N 3.1Å
215	Q	95.3	Very high	94	Very high	98 Å²	98	52.2 Å²	52.2	46%	0.458	28%	0.284	S	S	.	.	H	α-helix	trans	-70	-41.2	-176.2	-169.7	59.8	40.4	0	0	111.2	T213 L217 V218 D219	T213-Q215 PolarHBondContact O-N 2.62Å; T213-Q215 PolarHBondContact OG1-N 3.34Å; Q215-L217 VanDerWaalsContact C-N 3.27Å; Q215-L217 PolarHBondContact O-N 3.49Å; Q215-V218 PolarHBondContact O-N 3.39Å; Q215-V218 VanDerWaalsContact O-N 3.13Å; Q215-D219 PolarHBondContact NE2-OD1 2.94Å; Q215-D219 WeakPolarHBondContact O-CB 3.25Å; Q215-D219 VanDerWaalsContact O-CG 3.25Å; Q215-D219 PolarHBondContact O-N 3.44Å
216	D	95	Very high	94	Very high	52 Å²	52	51 Å²	51	28%	0.278	27%	0.273	S	S	.	.	H	α-helix	trans	-58.4	-39.7	177.3	-54	-66.2	0	0	0	111.9	L212 T213 Y220	L212-D216 HydrophobicContact CD2-CB 3.89Å; T213-D216 WeakPolarHBondContact CA-OD2 3.38Å; T213-D216 VanDerWaalsContact CB-OD2 3.27Å; T213-D216 WeakPolarHBondContact CB-OD2 3.43Å; T213-D216 WeakPolarHBondContact CG2-OD2 3.23Å; T213-D216 PolarHBondContact N-OD2 3.19Å; T213-D216 PolarHBondContact O-N 3.25Å; T213-D216 PolarHBondContact OG1-N 3.06Å; T213-D216 PolarHBondContact OG1-OD2 3.26Å; D216-Y220 VanDerWaalsContact O-CB 3.31Å; D216-Y220 WeakPolarHBondContact O-CB 3.38Å; D216-Y220 PolarHBondContact O-N 2.89Å
217	L	94.6	Very high	93.9	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-70.1	-40.7	176.5	-59.2	-177.9	0	0	0	112.3	A90 F93 M97 L157 I162 T213 R214 Q215 V221	A90-L217 HydrophobicContact CB-CD2 4.05Å; F93-L217 HydrophobicContact CB-CD2 4.27Å; F93-L217 HydrophobicContact CD1-CD1 3.82Å; F93-L217 HydrophobicContact CD1-CD2 4.5Å; F93-L217 HydrophobicContact CE1-CD1 4.28Å; M97-L217 HydrophobicContact CG-CD1 4.38Å; L157-L217 HydrophobicContact CD1-CB 3.95Å; L157-L217 HydrophobicContact CD2-CB 4.3Å; L157-L217 HydrophobicContact CD2-CD1 4.16Å; I162-L217 HydrophobicContact CD1-CD1 4.06Å; I162-L217 HydrophobicContact CG1-CD1 4.24Å; T213-L217 PolarHBondContact O-N 2.92Å; R214-L217 PolarHBondContact O-N 3.5Å; Q215-L217 VanDerWaalsContact C-N 3.27Å; Q215-L217 PolarHBondContact O-N 3.49Å; L217-V221 WeakPolarHBondContact O-CG2 3.18Å; L217-V221 PolarHBondContact O-N 3.48Å
218	V	94.1	Very high	93.8	Very high	43 Å²	43	47 Å²	47	26%	0.261	24%	0.244	S	C	.	.	H	α-helix	trans	-62.4	-44.6	174.6	169.9	0	0	0	0	110.7	L157 R214 Q215 V221 S222	L157-V218 HydrophobicContact CD1-CG2 3.67Å; R214-V218 WeakPolarHBondContact O-CG2 3.34Å; R214-V218 PolarHBondContact O-N 2.95Å; R214-V218 VanDerWaalsContact O-N 3.1Å; Q215-V218 PolarHBondContact O-N 3.39Å; Q215-V218 VanDerWaalsContact O-N 3.13Å; V218-V221 PolarHBondContact O-N 3.07Å; V218-S222 VanDerWaalsContact O-CB 3.28Å; V218-S222 WeakPolarHBondContact O-CB 3.27Å; V218-S222 PolarHBondContact O-N 3.29Å; V218-S222 PolarHBondContact O-OG 3.33Å
219	D	93.6	Very high	93.7	Very high	72 Å²	72	46.4 Å²	46.4	39%	0.385	24%	0.24	S	C	.	.	H	α-helix	trans	-65.8	-43.2	-179.2	-67.9	-16.7	0	0	0	110.7	Q215 S222 S223	Q215-D219 PolarHBondContact NE2-OD1 2.94Å; Q215-D219 WeakPolarHBondContact O-CB 3.25Å; Q215-D219 VanDerWaalsContact O-CG 3.25Å; Q215-D219 PolarHBondContact O-N 3.44Å; D219-S222 PolarHBondContact O-N 2.83Å; D219-S222 PolarHBondContact O-OG 3.43Å; D219-S223 VanDerWaalsContact O-CB 3.28Å; D219-S223 WeakPolarHBondContact O-CB 3.43Å; D219-S223 PolarHBondContact O-N 2.88Å; D219-S223 PolarHBondContact O-OG 2.95Å
220	Y	93.7	Very high	93.8	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.008	24%	0.238	C	C	.	.	H	α-helix	trans	-58.7	-50.8	174.3	-177.2	-95.8	0	0	0	112.3	G79 E83 A90 L94 D216 S222 S223 H224 Y225	G79-Y220 PolarHBondContact N-OH 3.33Å; G79-Y220 VanDerWaalsContact N-OH 3.09Å; E83-Y220 HydrophobicContact CG-CD2 4.34Å; E83-Y220 HydrophobicContact CG-CE2 3.72Å; A90-Y220 HydrophobicContact CB-CD2 4.19Å; A90-Y220 HydrophobicContact CB-CG 4.15Å; L94-Y220 HydrophobicContact CD2-CD1 3.96Å; L94-Y220 HydrophobicContact CD2-CE1 4.11Å; D216-Y220 VanDerWaalsContact O-CB 3.31Å; D216-Y220 WeakPolarHBondContact O-CB 3.38Å; D216-Y220 PolarHBondContact O-N 2.89Å; Y220-S222 PolarHBondContact O-N 2.9Å; Y220-S223 PolarHBondContact O-N 3.2Å; Y220-H224 AromaticContact CD2-CD2 3.41Å; Y220-H224 VanDerWaalsContact CD2-CD2 3.41Å; Y220-H224 WeakPolarHBondContact CD2-CD2 3.45Å; Y220-H224 AromaticContact CD2-NE2 3.77Å; Y220-H224 AromaticContact CE2-CD2 3.42Å; Y220-H224 VanDerWaalsContact CE2-CD2 3.42Å; Y220-H224 WeakPolarHBondContact CE2-CD2 3.27Å; Y220-H224 AromaticContact CE2-NE2 3.9Å; Y220-H224 AromaticContact CG-CD2 3.93Å; Y220-H224 AromaticContact CZ-CD2 3.98Å; Y220-H224 PolarHBondContact O-CD2 2.75Å; Y220-H224 VanDerWaalsContact O-CD2 3.23Å; Y220-H224 PolarHBondContact O-N 2.74Å; Y220-H224 VanDerWaalsContact O-N 3.11Å; Y220-Y225 HydrophobicContact CE1-CE1 4.18Å
221	V	92.8	Very high	94	Very high	35 Å²	35	39.9 Å²	39.9	21%	0.212	21%	0.214	C	C	.	.	H	α-helix	trans	-58.6	-50.7	175.1	172.4	0	0	0	0	110.5	L94 L217 V218 S223 H224 Y225	L94-V221 HydrophobicContact CD1-CG2 3.74Å; L94-V221 HydrophobicContact CD2-CG2 3.43Å; L94-V221 VanDerWaalsContact CD2-CG2 3.43Å; L94-V221 HydrophobicContact CG-CG2 4.25Å; L217-V221 WeakPolarHBondContact O-CG2 3.18Å; L217-V221 PolarHBondContact O-N 3.48Å; V218-V221 PolarHBondContact O-N 3.07Å; V221-S223 PolarHBondContact O-N 3.32Å; V221-H224 PolarHBondContact O-N 2.97Å; V221-Y225 HydrophobicContact CG1-CD2 4.23Å; V221-Y225 HydrophobicContact CG1-CG 4.21Å; V221-Y225 WeakPolarHBondContact O-CB 3.48Å; V221-Y225 PolarHBondContact O-N 3.27Å
222	S	91.4	Very high	94.1	Very high	59 Å²	59	34.1 Å²	34.1	41%	0.413	18%	0.183	S	C	.	.	H	α-helix	trans	-63.6	-27.9	-176.1	78.1	0	0	0	0	113.5	V218 D219 Y220 K226	V218-S222 VanDerWaalsContact O-CB 3.28Å; V218-S222 WeakPolarHBondContact O-CB 3.27Å; V218-S222 PolarHBondContact O-N 3.29Å; V218-S222 PolarHBondContact O-OG 3.33Å; D219-S222 PolarHBondContact O-N 2.83Å; D219-S222 PolarHBondContact O-OG 3.43Å; Y220-S222 PolarHBondContact O-N 2.9Å; S222-K226 WeakPolarHBondContact O-CE 3.16Å; S222-K226 PolarHBondContact O-NZ 3.29Å
223	S	90.6	Very high	94.2	Very high	61 Å²	61	33.9 Å²	33.9	43%	0.427	18%	0.182	S	C	.	.	H	α-helix	trans	-83.7	-34	-178.9	-60.4	0	0	0	0	112.8	D219 Y220 V221	D219-S223 VanDerWaalsContact O-CB 3.28Å; D219-S223 WeakPolarHBondContact O-CB 3.43Å; D219-S223 PolarHBondContact O-N 2.88Å; D219-S223 PolarHBondContact O-OG 2.95Å; Y220-S223 PolarHBondContact O-N 3.2Å; V221-S223 PolarHBondContact O-N 3.32Å
224	H	91.8	Very high	94.4	Very high	29 Å²	29	30.8 Å²	30.8	13%	0.134	16%	0.163	C	C	.	.	H	α-helix	trans	-116.8	-27.1	-167.6	-54.3	-45.5	0	0	0	115.2	A78 Y220 V221 K226	A78-H224 HydrophobicContact CB-CB 3.82Å; Y220-H224 AromaticContact CD2-CD2 3.41Å; Y220-H224 VanDerWaalsContact CD2-CD2 3.41Å; Y220-H224 WeakPolarHBondContact CD2-CD2 3.45Å; Y220-H224 AromaticContact CD2-NE2 3.77Å; Y220-H224 AromaticContact CE2-CD2 3.42Å; Y220-H224 VanDerWaalsContact CE2-CD2 3.42Å; Y220-H224 WeakPolarHBondContact CE2-CD2 3.27Å; Y220-H224 AromaticContact CE2-NE2 3.9Å; Y220-H224 AromaticContact CG-CD2 3.93Å; Y220-H224 AromaticContact CZ-CD2 3.98Å; Y220-H224 PolarHBondContact O-CD2 2.75Å; Y220-H224 VanDerWaalsContact O-CD2 3.23Å; Y220-H224 PolarHBondContact O-N 2.74Å; Y220-H224 VanDerWaalsContact O-N 3.11Å; V221-H224 PolarHBondContact O-N 2.97Å; H224-K226 VanDerWaalsContact C-N 3.3Å; H224-K226 PolarHBondContact O-N 3.36Å
225	Y	93.2	Very high	94.5	Very high	18 Å²	18	26 Å²	26	7%	0.071	15%	0.145	C	C	.	.			trans	-86.4	76.4	-176	-75.1	32.2	0	0	0	109.1	I76 A78 L94 F132 V152 Y220 V221	I76-Y225 HydrophobicContact CD1-CD1 4.15Å; I76-Y225 HydrophobicContact CD1-CD2 3.68Å; I76-Y225 HydrophobicContact CD1-CE1 3.97Å; I76-Y225 HydrophobicContact CD1-CE2 3.47Å; I76-Y225 VanDerWaalsContact CD1-CE2 3.47Å; I76-Y225 HydrophobicContact CD1-CG 4Å; I76-Y225 HydrophobicContact CG2-CD1 4.03Å; I76-Y225 HydrophobicContact CG2-CE1 4.21Å; A78-Y225 HydrophobicContact CB-CD1 4.47Å; A78-Y225 HydrophobicContact CB-CE1 4.13Å; L94-Y225 HydrophobicContact CD2-CE1 4.04Å; L94-Y225 HydrophobicContact CD2-CE2 3.95Å; L94-Y225 VanDerWaalsContact CD2-CZ 3.49Å; L94-Y225 VanDerWaalsContact CD2-OH 3.26Å; L94-Y225 WeakPolarHBondContact CD2-OH 3.43Å; F132-Y225 HydrophobicContact CE2-CE2 4.02Å; F132-Y225 VanDerWaalsContact CE2-OH 3.32Å; F132-Y225 WeakPolarHBondContact CE2-OH 3.4Å; V152-Y225 HydrophobicContact CG1-CD2 4.04Å; V152-Y225 HydrophobicContact CG1-CE2 4.31Å; Y220-Y225 HydrophobicContact CE1-CE1 4.18Å; V221-Y225 HydrophobicContact CG1-CD2 4.23Å; V221-Y225 HydrophobicContact CG1-CG 4.21Å; V221-Y225 WeakPolarHBondContact O-CB 3.48Å; V221-Y225 PolarHBondContact O-N 3.27Å
226	K	93.1	Very high	94.5	Very high	29 Å²	29	21.4 Å²	21.4	13%	0.126	12%	0.124	C	C	.	.			trans	-127	142	-174.2	-58.1	-63.1	-160	-166.8	0	111.5	S222 H224 P228 R229 M230 S255 Q257 Y258	S222-K226 WeakPolarHBondContact O-CE 3.16Å; S222-K226 PolarHBondContact O-NZ 3.29Å; H224-K226 VanDerWaalsContact C-N 3.3Å; H224-K226 PolarHBondContact O-N 3.36Å; K226-P228 VanDerWaalsContact O-N 3.15Å; K226-R229 PolarHBondContact O-N 2.78Å; K226-M230 WeakPolarHBondContact O-CG 3.47Å; K226-S255 CarbonylContact C-O 3.57Å; K226-S255 WeakPolarHBondContact CA-O 3.26Å; K226-S255 WeakPolarHBondContact CB-O 3.31Å; K226-S255 WeakPolarHBondContact CD-O 3.2Å; K226-S255 PolarHBondContact NZ-OG 3.12Å; K226-Q257 WeakPolarHBondContact CE-O 3.35Å; K226-Y258 HydrophobicContact CB-CE1 4.3Å; K226-Y258 HydrophobicContact CB-CE2 4.13Å; K226-Y258 WeakPolarHBondContact CB-OH 3.28Å; K226-Y258 HydrophobicContact CG-CE1 3.86Å; K226-Y258 HydrophobicContact CG-CE2 4.35Å
227	G	92.9	Very high	94.4	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-41.1	-53.3	-178	0	0	0	0	0	115.4	G57 L58 R229 M230 S255	G57-G227 CarbonylContact C-O 3.28Å; L58-G227 WeakPolarHBondContact CA-O 3.37Å; G227-R229 PolarHBondContact O-N 3.03Å; G227-R229 VanDerWaalsContact O-N 3.1Å; G227-M230 PolarHBondContact O-N 2.76Å; G227-S255 PolarHBondContact N-O 2.86Å
228	P	93	Very high	94.4	Very high	35 Å²	35	19.5 Å²	19.5	23%	0.227	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-61	-23.5	-178.1	-27.1	37.3	0	0	0	115.3	N56 R59 K226 F256 Y258 V263	N56-P228 WeakPolarHBondContact O-CD 3.39Å; R59-P228 PolarHBondContact NH2-O 3.1Å; K226-P228 VanDerWaalsContact O-N 3.15Å; P228-F256 HydrophobicContact CG-CB 4.17Å; P228-Y258 HydrophobicContact CB-CE2 4.38Å; P228-Y258 HydrophobicContact CG-CE2 4.15Å; P228-V263 HydrophobicContact CB-CG2 3.97Å
229	R	93.3	Very high	94.5	Very high	14 Å²	14	20.8 Å²	20.8	5%	0.053	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-95.3	3.8	178.1	-80.8	-178.9	177.3	-161.2	1.9	113.5	S77 Y82 K226 G227 Y258 V263 P264 L421	S77-R229 PolarHBondContact N-O 3.22Å; Y82-R229 VanDerWaalsContact CD1-NH1 3.27Å; K226-R229 PolarHBondContact O-N 2.78Å; G227-R229 PolarHBondContact O-N 3.03Å; G227-R229 VanDerWaalsContact O-N 3.1Å; R229-Y258 VanDerWaalsContact CD-OH 3.23Å; R229-Y258 WeakPolarHBondContact CD-OH 3.41Å; R229-Y258 VanDerWaalsContact CG-OH 3.27Å; R229-Y258 WeakPolarHBondContact CG-OH 3.31Å; R229-V263 HydrophobicContact CG-CG1 4.08Å; R229-P264 PolarHBondContact NH2-O 2.73Å; R229-L421 WeakPolarHBondContact O-CD2 3.29Å
230	M	96.2	Very high	94.7	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	146.8	-174.6	-64.5	169.9	73.3	0	0	111.5	L58 R59 V74 W75 I76 V152 K226 G227 L254	L58-M230 HydrophobicContact CD1-CB 3.45Å; L58-M230 VanDerWaalsContact CD1-CB 3.45Å; R59-M230 PolarHBondContact N-O 2.57Å; V74-M230 HydrophobicContact CG1-CE 3.56Å; W75-M230 CarbonylContact O-C 3.54Å; W75-M230 WeakPolarHBondContact O-CA 3.47Å; I76-M230 HydrophobicContact CB-CG 4.5Å; I76-M230 HydrophobicContact CD1-CE 4.34Å; I76-M230 HydrophobicContact CG1-CE 4.49Å; I76-M230 HydrophobicContact CG1-CG 4.17Å; I76-M230 HydrophobicContact CG2-CG 4.07Å; V152-M230 HydrophobicContact CG1-CE 3.64Å; K226-M230 WeakPolarHBondContact O-CG 3.47Å; G227-M230 PolarHBondContact O-N 2.76Å; M230-L254 HydrophobicContact CE-CD1 3.99Å; M230-L254 HydrophobicContact CE-CD2 4.02Å; M230-L254 HydrophobicContact SD-CD1 3.82Å; M230-L254 HydrophobicContact SD-CD2 3.92Å
231	V	98.1	Very high	94.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	118.9	171.8	179.5	0	0	0	0	108.2	R59 A61 V74 W75 A233 V420 L421	R59-V231 HydrophobicContact CB-CB 4.47Å; R59-V231 HydrophobicContact CB-CG1 4.46Å; R59-V231 HydrophobicContact CB-CG2 3.96Å; R59-V231 CarbonylContact O-C 3.4Å; R59-V231 WeakPolarHBondContact O-CA 3.27Å; A61-V231 HydrophobicContact CB-CG1 4.49Å; V74-V231 CarbonylContact C-O 3.55Å; V74-V231 WeakPolarHBondContact CA-O 3.47Å; W75-V231 PolarHBondContact N-O 2.78Å; W75-V231 PolarHBondContact O-N 2.82Å; V231-A233 HydrophobicContact CG1-CB 4.33Å; V231-V420 HydrophobicContact CG1-CB 4.09Å; V231-V420 HydrophobicContact CG1-CG1 3.86Å; V231-V420 HydrophobicContact CG2-CB 4.33Å; V231-V420 HydrophobicContact CG2-CG1 3.86Å; V231-L421 HydrophobicContact CB-CG 4.48Å; V231-L421 HydrophobicContact CG2-CD2 3.67Å; V231-L421 HydrophobicContact CG2-CG 3.81Å
232	L	98.3	Very high	95.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	105.9	163.5	-179	71.4	0	0	0	107.8	R59 I60 A61 V72 G73 V74 L243 A247 F251	R59-L232 PolarHBondContact O-N 2.81Å; I60-L232 CarbonylContact C-O 3.59Å; I60-L232 WeakPolarHBondContact CA-O 3.26Å; I60-L232 HydrophobicContact CG1-CB 4.41Å; A61-L232 PolarHBondContact N-O 2.98Å; V72-L232 HydrophobicContact CG2-CD1 3.92Å; G73-L232 CarbonylContact O-C 3.54Å; G73-L232 WeakPolarHBondContact O-CA 3.24Å; V74-L232 HydrophobicContact CG2-CD1 3.89Å; L232-L243 HydrophobicContact CD2-CD1 3.9Å; L232-L243 HydrophobicContact CD2-CG 4.2Å; L232-L243 HydrophobicContact CG-CD1 4.44Å; L232-A247 HydrophobicContact CD2-CB 3.66Å; L232-F251 HydrophobicContact CD1-CE2 4.03Å; L232-F251 HydrophobicContact CD1-CZ 4.35Å; L232-F251 HydrophobicContact CD2-CD2 4.48Å; L232-F251 HydrophobicContact CD2-CE2 4.15Å
233	A	98.4	Very high	95.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	147.3	176.6	0	0	0	0	0	111.1	A61 V72 G73 W75 V231 C413 I416	A61-A233 CarbonylContact O-C 3.56Å; A61-A233 VanDerWaalsContact O-CA 3.28Å; A61-A233 WeakPolarHBondContact O-CA 3.47Å; V72-A233 CarbonylContact C-O 3.48Å; V72-A233 WeakPolarHBondContact CA-O 3.25Å; G73-A233 PolarHBondContact N-O 2.98Å; G73-A233 PolarHBondContact O-N 2.93Å; W75-A233 HydrophobicContact CE3-CB 3.8Å; W75-A233 HydrophobicContact CZ3-CB 3.7Å; V231-A233 HydrophobicContact CG1-CB 4.33Å; A233-C413 VanDerWaalsContact C-SG 3.53Å; A233-C413 PolarHBondContact O-SG 3Å; A233-C413 VanDerWaalsContact O-SG 3.33Å; A233-I416 HydrophobicContact CB-CB 4.22Å; A233-I416 HydrophobicContact CB-CG2 3.77Å
234	A	97.9	Very high	95.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	141	172.7	0	0	0	0	0	112.8	A61 S62 E63 T71 V72 V238 L243	A61-A234 PolarHBondContact O-N 2.98Å; S62-A234 CarbonylContact C-O 3.55Å; S62-A234 WeakPolarHBondContact CA-O 3.5Å; E63-A234 PolarHBondContact N-O 3.45Å; T71-A234 CarbonylContact O-C 3.54Å; T71-A234 VanDerWaalsContact O-CA 3.26Å; T71-A234 WeakPolarHBondContact O-CA 3.17Å; V72-A234 HydrophobicContact CB-CB 4.09Å; V72-A234 HydrophobicContact CG2-CB 4.11Å; A234-V238 HydrophobicContact CB-CG1 3.9Å; A234-V238 HydrophobicContact CB-CG2 4.16Å; A234-L243 HydrophobicContact CB-CD1 4.35Å; A234-L243 HydrophobicContact CB-CD2 3.69Å
235	A	97.2	Very high	96	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	143.1	174.9	0	0	0	0	0	111.5	E63 C70 T71 I412 C413 I416	E63-A235 WeakPolarHBondContact O-CA 3.24Å; C70-A235 CarbonylContact C-O 3.59Å; C70-A235 VanDerWaalsContact CA-O 3.29Å; C70-A235 WeakPolarHBondContact CA-O 3.28Å; T71-A235 PolarHBondContact N-O 2.88Å; T71-A235 PolarHBondContact O-N 2.64Å; A235-I412 HydrophobicContact CB-CB 3.96Å; A235-I412 HydrophobicContact CB-CG2 3.58Å; A235-C413 HydrophobicContact CB-CB 3.97Å; A235-I416 HydrophobicContact CB-CD1 4.2Å
236	G	94.9	Very high	96.2	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	135.2	-149.3	-175.3	0	0	0	0	0	110.7	E63 D64 T65 T69 V238	E63-G236 PolarHBondContact O-N 2.84Å; D64-G236 CarbonylContact C-O 3.38Å; D64-G236 WeakPolarHBondContact CA-O 2.84Å; D64-G236 VanDerWaalsContact OD1-O 3.1Å; T65-G236 PolarHBondContact N-O 2.77Å; T65-G236 VanDerWaalsContact OG1-C 3.27Å; T65-G236 WeakPolarHBondContact OG1-CA 3.36Å; T65-G236 PolarHBondContact OG1-N 3.22Å; T65-G236 PolarHBondContact OG1-O 2.83Å; T65-G236 VanDerWaalsContact OG1-O 3.1Å; T69-G236 VanDerWaalsContact O-CA 3.3Å; T69-G236 WeakPolarHBondContact O-CA 3.49Å; G236-V238 PolarHBondContact O-N 3.46Å
237	G	92.9	Very high	96.4	Very high	8 Å²	8	22.6 Å²	22.6	8%	0.082	13%	0.127	C	C	.	.	S	Bend	trans	-75.2	100.4	160.5	0	0	0	0	0	109.4	D64 H67 T69 T138	D64-G237 WeakPolarHBondContact OD1-CA 3.3Å; H67-G237 WeakPolarHBondContact O-CA 3.34Å; H67-G237 PolarHBondContact O-N 3.27Å; T69-G237 PolarHBondContact O-N 2.93Å; T138-G237 WeakPolarHBondContact CB-O 3.3Å; T138-G237 WeakPolarHBondContact CG2-O 3.4Å; T138-G237 PolarHBondContact OG1-O 2.73Å
238	V	95.6	Very high	96.5	Very high	5 Å²	5	28.4 Å²	28.4	3%	0.03	15%	0.152	C	C	.	.			trans	-148.4	122.6	-174.2	-178.3	0	0	0	0	110	D64 C70 L141 A234 G236 L243	D64-V238 WeakPolarHBondContact CB-O 3.4Å; D64-V238 PolarHBondContact OD1-N 3.49Å; C70-V238 HydrophobicContact CB-CG2 3.57Å; L141-V238 HydrophobicContact CD2-CB 4.45Å; L141-V238 HydrophobicContact CD2-CG1 3.9Å; L141-V238 HydrophobicContact CD2-CG2 4.3Å; A234-V238 HydrophobicContact CB-CG1 3.9Å; A234-V238 HydrophobicContact CB-CG2 4.16Å; G236-V238 PolarHBondContact O-N 3.46Å; V238-L243 HydrophobicContact CG1-CB 4.41Å; V238-L243 HydrophobicContact CG1-CD2 4.4Å
239	N	96.2	Very high	96.7	Very high	70 Å²	70	31 Å²	31	37%	0.374	17%	0.171	S	C	.	.			trans	-84.9	132.4	169.4	-179	-74.3	0	0	0	111	D241 E242 L243	N239-D241 PolarHBondContact OD1-N 3.49Å; N239-E242 HydrophobicContact CB-CB 4.06Å; N239-E242 HydrophobicContact CB-CG 3.95Å; N239-E242 PolarHBondContact OD1-N 2.88Å; N239-L243 WeakPolarHBondContact O-CB 3.26Å; N239-L243 PolarHBondContact O-N 3.3Å; N239-L243 VanDerWaalsContact O-N 3.07Å
240	H	97.4	Very high	96.8	Very high	23 Å²	23	33.2 Å²	33.2	11%	0.106	18%	0.182	C	C	.	.	H	α-helix	trans	-66.7	-44.5	-177.3	-171.6	73.2	0	0	0	113.1	H50 S52 S62 E242 L243 V244	H50-H240 HydrophobicContact CB-CB 4.15Å; H50-H240 PolarHBondContact O-CE1 2.99Å; S52-H240 WeakPolarHBondContact CB-NE2 3.28Å; S52-H240 PolarHBondContact OG-NE2 3.22Å; S62-H240 WeakPolarHBondContact OG-CB 3.44Å; S62-H240 PolarHBondContact OG-ND1 3.05Å; H240-E242 PolarHBondContact O-N 2.88Å; H240-L243 WeakPolarHBondContact O-CB 3.36Å; H240-L243 PolarHBondContact O-N 2.88Å; H240-V244 WeakPolarHBondContact O-CG2 3.37Å; H240-V244 PolarHBondContact O-N 2.91Å
241	D	97.5	Very high	96.7	Very high	124 Å²	124	33.2 Å²	33.2	66%	0.663	18%	0.182	S	C	*	.	H	α-helix	trans	-67.9	-37.8	-177.1	-64.2	-39.2	0	0	0	111.4	N239 V244 G245	N239-D241 PolarHBondContact OD1-N 3.49Å; D241-V244 PolarHBondContact O-N 2.89Å; D241-G245 PolarHBondContact O-N 2.91Å
242	E	96.9	Very high	96.2	Very high	123 Å²	123	36.9 Å²	36.9	58%	0.575	21%	0.208	S	C	*	.	H	α-helix	trans	-61.4	-47.1	170.6	-67.6	-179.7	177.1	0	0	111	N239 H240 V244 G245 M246	N239-E242 HydrophobicContact CB-CB 4.06Å; N239-E242 HydrophobicContact CB-CG 3.95Å; N239-E242 PolarHBondContact OD1-N 2.88Å; H240-E242 PolarHBondContact O-N 2.88Å; E242-V244 VanDerWaalsContact C-N 3.31Å; E242-V244 PolarHBondContact O-N 3.09Å; E242-G245 PolarHBondContact O-N 3.33Å; E242-G245 VanDerWaalsContact O-N 3.15Å; E242-M246 HydrophobicContact CB-CE 4.35Å; E242-M246 WeakPolarHBondContact O-CE 3.36Å; E242-M246 WeakPolarHBondContact O-CG 3.27Å; E242-M246 PolarHBondContact O-N 2.82Å
243	L	97.6	Very high	95.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-59.6	-41.4	176.6	-175.2	68.2	0	0	0	111.9	I60 V72 V145 L232 A234 V238 N239 H240 M246 A247	I60-L243 HydrophobicContact CG2-CD2 3.75Å; I60-L243 HydrophobicContact CG2-CG 3.91Å; V72-L243 HydrophobicContact CG2-CD1 4.37Å; V145-L243 HydrophobicContact CG2-CD1 4Å; L232-L243 HydrophobicContact CD2-CD1 3.9Å; L232-L243 HydrophobicContact CD2-CG 4.2Å; L232-L243 HydrophobicContact CG-CD1 4.44Å; A234-L243 HydrophobicContact CB-CD1 4.35Å; A234-L243 HydrophobicContact CB-CD2 3.69Å; V238-L243 HydrophobicContact CG1-CB 4.41Å; V238-L243 HydrophobicContact CG1-CD2 4.4Å; N239-L243 WeakPolarHBondContact O-CB 3.26Å; N239-L243 PolarHBondContact O-N 3.3Å; N239-L243 VanDerWaalsContact O-N 3.07Å; H240-L243 WeakPolarHBondContact O-CB 3.36Å; H240-L243 PolarHBondContact O-N 2.88Å; L243-M246 HydrophobicContact CB-CE 4.46Å; L243-M246 HydrophobicContact CD1-CE 4.35Å; L243-M246 PolarHBondContact O-N 2.97Å; L243-A247 VanDerWaalsContact O-CB 3.27Å; L243-A247 WeakPolarHBondContact O-CB 3.44Å; L243-A247 PolarHBondContact O-N 2.79Å
244	V	97.9	Very high	95.1	Very high	14 Å²	14	40.8 Å²	40.8	9%	0.085	25%	0.245	C	C	.	.	H	α-helix	trans	-65.5	-39.4	175.5	172	0	0	0	0	111.6	L54 I60 H240 D241 E242 A247 K248	L54-V244 HydrophobicContact CD2-CG1 4.47Å; I60-V244 HydrophobicContact CB-CG2 4.35Å; I60-V244 HydrophobicContact CD1-CB 4.43Å; I60-V244 HydrophobicContact CD1-CG1 4.4Å; I60-V244 HydrophobicContact CD1-CG2 4.07Å; I60-V244 HydrophobicContact CG2-CG2 3.92Å; H240-V244 WeakPolarHBondContact O-CG2 3.37Å; H240-V244 PolarHBondContact O-N 2.91Å; D241-V244 PolarHBondContact O-N 2.89Å; E242-V244 VanDerWaalsContact C-N 3.31Å; E242-V244 PolarHBondContact O-N 3.09Å; V244-A247 PolarHBondContact O-N 3Å; V244-K248 HydrophobicContact CG1-CD 4.2Å; V244-K248 WeakPolarHBondContact O-CB 3.08Å; V244-K248 WeakPolarHBondContact O-CG 3.09Å; V244-K248 PolarHBondContact O-N 3.18Å
245	G	97.5	Very high	94.5	Very high	33 Å²	33	43.3 Å²	43.3	34%	0.34	26%	0.262	S	S	.	.	H	α-helix	trans	-62.7	-44	174.1	0	0	0	0	0	113	D241 E242 S249	D241-G245 PolarHBondContact O-N 2.91Å; E242-G245 PolarHBondContact O-N 3.33Å; E242-G245 VanDerWaalsContact O-N 3.15Å; G245-S249 PolarHBondContact O-N 3.36Å; G245-S249 VanDerWaalsContact O-N 3.13Å; G245-S249 PolarHBondContact O-OG 3.17Å
246	M	97.3	Very high	93.9	Very high	26 Å²	26	48.3 Å²	48.3	13%	0.128	28%	0.284	C	S	.	.	H	α-helix	trans	-65.2	-43.4	174.9	-65.9	-178.1	-69.6	0	0	111.1	L141 P142 V145 E242 L243 K248 S249 H250	L141-M246 HydrophobicContact CD2-CE 3.83Å; L141-M246 HydrophobicContact CG-CE 3.92Å; P142-M246 WeakPolarHBondContact CA-SD 3.41Å; P142-M246 HydrophobicContact CB-SD 3.65Å; P142-M246 HydrophobicContact CG-SD 3.77Å; V145-M246 HydrophobicContact CB-CB 4.42Å; V145-M246 HydrophobicContact CG1-CB 3.94Å; V145-M246 HydrophobicContact CG2-CE 4.41Å; E242-M246 HydrophobicContact CB-CE 4.35Å; E242-M246 WeakPolarHBondContact O-CE 3.36Å; E242-M246 WeakPolarHBondContact O-CG 3.27Å; E242-M246 PolarHBondContact O-N 2.82Å; L243-M246 HydrophobicContact CB-CE 4.46Å; L243-M246 HydrophobicContact CD1-CE 4.35Å; L243-M246 PolarHBondContact O-N 2.97Å; M246-K248 PolarHBondContact O-N 2.8Å; M246-S249 WeakPolarHBondContact O-CB 3.49Å; M246-S249 PolarHBondContact O-N 3.3Å; M246-S249 VanDerWaalsContact O-N 3.13Å; M246-H250 WeakPolarHBondContact O-CB 3.4Å; M246-H250 PolarHBondContact O-CD2 3Å; M246-H250 VanDerWaalsContact O-CD2 3.23Å; M246-H250 PolarHBondContact O-N 2.92Å
247	A	96.7	Very high	93.3	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-62.1	-43.7	177.7	0	0	0	0	0	112.8	L54 I60 L232 L243 V244 S249 H250 F251	L54-A247 HydrophobicContact CD1-CB 4.36Å; I60-A247 HydrophobicContact CD1-CB 3.41Å; I60-A247 VanDerWaalsContact CD1-CB 3.41Å; I60-A247 HydrophobicContact CG1-CB 3.89Å; L232-A247 HydrophobicContact CD2-CB 3.66Å; L243-A247 VanDerWaalsContact O-CB 3.27Å; L243-A247 WeakPolarHBondContact O-CB 3.44Å; L243-A247 PolarHBondContact O-N 2.79Å; V244-A247 PolarHBondContact O-N 3Å; A247-S249 VanDerWaalsContact C-N 3.26Å; A247-S249 PolarHBondContact O-N 2.89Å; A247-H250 PolarHBondContact O-N 2.9Å; A247-F251 WeakPolarHBondContact O-CB 3.39Å; A247-F251 PolarHBondContact O-N 3.44Å
248	K	96.1	Very high	92.8	Very high	121 Å²	121	55.6 Å²	55.6	53%	0.526	32%	0.315	S	S	.	.	H	α-helix	trans	-59.5	-37.5	172.9	-75.7	174.2	178.8	178	0	112.3	L54 V244 M246 S252	L54-K248 HydrophobicContact CD1-CG 4.28Å; L54-K248 HydrophobicContact CD2-CD 4.23Å; L54-K248 HydrophobicContact CD2-CG 3.51Å; V244-K248 HydrophobicContact CG1-CD 4.2Å; V244-K248 WeakPolarHBondContact O-CB 3.08Å; V244-K248 WeakPolarHBondContact O-CG 3.09Å; V244-K248 PolarHBondContact O-N 3.18Å; M246-K248 PolarHBondContact O-N 2.8Å; K248-S252 WeakPolarHBondContact O-CB 3.17Å; K248-S252 PolarHBondContact O-OG 3.43Å
249	S	96.2	Very high	91.7	Very high	89 Å²	89	64.9 Å²	64.9	62%	0.622	36%	0.358	S	S	*	.	H	α-helix	trans	-72.4	-35.3	-179.5	-55.8	0	0	0	0	112.9	G245 M246 A247	G245-S249 PolarHBondContact O-N 3.36Å; G245-S249 VanDerWaalsContact O-N 3.13Å; G245-S249 PolarHBondContact O-OG 3.17Å; M246-S249 WeakPolarHBondContact O-CB 3.49Å; M246-S249 PolarHBondContact O-N 3.3Å; M246-S249 VanDerWaalsContact O-N 3.13Å; A247-S249 VanDerWaalsContact C-N 3.26Å; A247-S249 PolarHBondContact O-N 2.89Å
250	H	95.9	Very high	90.4	Very high	61 Å²	61	65.1 Å²	65.1	28%	0.282	38%	0.377	S	S	.	.	H	α-helix	trans	-107.6	-25	-168.7	-73.2	-63.3	0	0	0	115.6	S149 Q153 M246 A247	S149-H250 WeakPolarHBondContact OG-CB 3.35Å; Q153-H250 PolarHBondContact NE2-O 3.32Å; M246-H250 WeakPolarHBondContact O-CB 3.4Å; M246-H250 PolarHBondContact O-CD2 3Å; M246-H250 VanDerWaalsContact O-CD2 3.23Å; M246-H250 PolarHBondContact O-N 2.92Å; A247-H250 PolarHBondContact O-N 2.9Å
251	F	94.8	Very high	89.1	Confident	1 Å²	1	71.4 Å²	71.4	0%	0.004	41%	0.412	C	S	.	.	H	α-helix	trans	-117.6	3.8	-176.6	-67	-80.7	0	0	0	114.1	N56 L58 V74 V145 S149 L232 A247 G253 L254	N56-F251 PolarHBondContact ND2-O 2.77Å; L58-F251 HydrophobicContact CD2-CB 3.55Å; L58-F251 HydrophobicContact CD2-CD2 4.16Å; L58-F251 HydrophobicContact CD2-CG 3.87Å; V74-F251 HydrophobicContact CG2-CE1 4.16Å; V74-F251 HydrophobicContact CG2-CZ 3.7Å; V145-F251 HydrophobicContact CG1-CE2 4.33Å; S149-F251 VanDerWaalsContact CA-CZ 3.41Å; S149-F251 VanDerWaalsContact CB-CZ 3.46Å; L232-F251 HydrophobicContact CD1-CE2 4.03Å; L232-F251 HydrophobicContact CD1-CZ 4.35Å; L232-F251 HydrophobicContact CD2-CD2 4.48Å; L232-F251 HydrophobicContact CD2-CE2 4.15Å; A247-F251 WeakPolarHBondContact O-CB 3.39Å; A247-F251 PolarHBondContact O-N 3.44Å; F251-G253 PolarHBondContact O-N 2.96Å; F251-L254 HydrophobicContact CB-CD1 3.89Å; F251-L254 HydrophobicContact CB-CG 4.18Å; F251-L254 HydrophobicContact CD1-CD1 3.82Å; F251-L254 HydrophobicContact CD1-CD2 4.45Å; F251-L254 HydrophobicContact CD1-CG 4.11Å; F251-L254 HydrophobicContact CG-CD1 4.28Å; F251-L254 WeakPolarHBondContact O-CB 3.48Å; F251-L254 WeakPolarHBondContact O-CG 3.49Å; F251-L254 PolarHBondContact O-N 2.82Å; F251-L254 VanDerWaalsContact O-N 3.08Å
252	S	88.1	Confident	88.1	Confident	77 Å²	77	68.4 Å²	68.4	54%	0.538	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-28.2	175.9	43	0	0	0	0	113.2	K248 L254	K248-S252 WeakPolarHBondContact O-CB 3.17Å; K248-S252 PolarHBondContact O-OG 3.43Å; S252-L254 VanDerWaalsContact C-N 3.28Å; S252-L254 PolarHBondContact O-N 3.03Å
253	G	86.1	Confident	87.2	Confident	70 Å²	70	65.6 Å²	65.6	72%	0.722	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-4.3	174.7	0	0	0	0	0	115.8	F251 S255	F251-G253 PolarHBondContact O-N 2.96Å; G253-S255 PolarHBondContact O-N 3.09Å
254	L	87.1	Confident	86.5	Confident	12 Å²	12	69.1 Å²	69.1	6%	0.063	42%	0.418	C	S	.	.			trans	-58.4	132.6	178.1	-78.3	175.7	0	0	0	111.4	L58 Q153 M230 F251 S252 F256	L58-L254 HydrophobicContact CB-CD1 4.49Å; L58-L254 HydrophobicContact CD1-CD1 4.2Å; L58-L254 HydrophobicContact CD2-CD1 4.23Å; Q153-L254 HydrophobicContact CG-CD2 3.63Å; M230-L254 HydrophobicContact CE-CD1 3.99Å; M230-L254 HydrophobicContact CE-CD2 4.02Å; M230-L254 HydrophobicContact SD-CD1 3.82Å; M230-L254 HydrophobicContact SD-CD2 3.92Å; F251-L254 HydrophobicContact CB-CD1 3.89Å; F251-L254 HydrophobicContact CB-CG 4.18Å; F251-L254 HydrophobicContact CD1-CD1 3.82Å; F251-L254 HydrophobicContact CD1-CD2 4.45Å; F251-L254 HydrophobicContact CD1-CG 4.11Å; F251-L254 HydrophobicContact CG-CD1 4.28Å; F251-L254 WeakPolarHBondContact O-CB 3.48Å; F251-L254 WeakPolarHBondContact O-CG 3.49Å; F251-L254 PolarHBondContact O-N 2.82Å; F251-L254 VanDerWaalsContact O-N 3.08Å; S252-L254 VanDerWaalsContact C-N 3.28Å; S252-L254 PolarHBondContact O-N 3.03Å; L254-F256 PolarHBondContact O-N 3.34Å
255	S	85.1	Confident	85.7	Confident	52 Å²	52	75.1 Å²	75.1	36%	0.364	45%	0.454	S	S	.	.			trans	-63.1	131.7	167.1	-174	0	0	0	0	109.7	K226 G227 G253	K226-S255 CarbonylContact C-O 3.57Å; K226-S255 WeakPolarHBondContact CA-O 3.26Å; K226-S255 WeakPolarHBondContact CB-O 3.31Å; K226-S255 WeakPolarHBondContact CD-O 3.2Å; K226-S255 PolarHBondContact NZ-OG 3.12Å; G227-S255 PolarHBondContact N-O 2.86Å; G253-S255 PolarHBondContact O-N 3.09Å
256	F	84.5	Confident	85.2	Confident	105 Å²	105	75.9 Å²	75.9	46%	0.461	45%	0.451	S	S	.	.			trans	-124.5	-2.6	176.6	61.6	-90	0	0	0	112.9	N56 P228 L254	N56-F256 HydrophobicContact CB-CB 4.09Å; N56-F256 HydrophobicContact CB-CD1 3.59Å; N56-F256 HydrophobicContact CB-CE1 4.31Å; N56-F256 HydrophobicContact CB-CG 4.03Å; N56-F256 WeakPolarHBondContact O-CB 3.44Å; P228-F256 HydrophobicContact CG-CB 4.17Å; L254-F256 PolarHBondContact O-N 3.34Å
257	Q	83.3	Confident	84.7	Confident	135 Å²	135	79.4 Å²	79.4	63%	0.631	48%	0.477	S	S	*	.			trans	-80.2	140.8	177.9	-68.3	174.7	-18.9	0	0	110.7	K226	K226-Q257 WeakPolarHBondContact CE-O 3.35Å
258	Y	80.8	Confident	84.4	Confident	26 Å²	26	84.8 Å²	84.8	10%	0.102	51%	0.513	C	S	.	.			trans	-125.4	154.6	171.9	-68.9	-89.2	0	0	0	108.8	K226 P228 R229 G260 D261 A262 V263 P264	K226-Y258 HydrophobicContact CB-CE1 4.3Å; K226-Y258 HydrophobicContact CB-CE2 4.13Å; K226-Y258 WeakPolarHBondContact CB-OH 3.28Å; K226-Y258 HydrophobicContact CG-CE1 3.86Å; K226-Y258 HydrophobicContact CG-CE2 4.35Å; P228-Y258 HydrophobicContact CB-CE2 4.38Å; P228-Y258 HydrophobicContact CG-CE2 4.15Å; R229-Y258 VanDerWaalsContact CD-OH 3.23Å; R229-Y258 WeakPolarHBondContact CD-OH 3.41Å; R229-Y258 VanDerWaalsContact CG-OH 3.27Å; R229-Y258 WeakPolarHBondContact CG-OH 3.31Å; Y258-G260 PolarHBondContact O-N 2.87Å; Y258-D261 PolarHBondContact O-N 3.17Å; Y258-D261 VanDerWaalsContact O-N 3.11Å; Y258-A262 VanDerWaalsContact CB-O 3.24Å; Y258-A262 WeakPolarHBondContact CB-O 3.22Å; Y258-V263 HydrophobicContact CD2-CG2 4.21Å; Y258-V263 HydrophobicContact CE2-CB 4.31Å; Y258-V263 HydrophobicContact CE2-CG1 4.36Å; Y258-V263 HydrophobicContact CE2-CG2 3.74Å; Y258-P264 HydrophobicContact CD1-CG 4.01Å; Y258-P264 HydrophobicContact CE1-CG 4.4Å
259	E	73.3	Confident	84.3	Confident	200 Å²	200	79.4 Å²	79.4	94%	0.935	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	122.1	171.2	-60.8	-169.2	156.9	0	0	109.7
260	G	68.7	Low	84.3	Confident	75 Å²	75	83.1 Å²	83.1	77%	0.773	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.1	16.4	-175.7	0	0	0	0	0	115.7	Y258 A262	Y258-G260 PolarHBondContact O-N 2.87Å; G260-A262 PolarHBondContact O-N 3.45Å
261	D	71	Confident	84.4	Confident	155 Å²	155	81.6 Å²	81.6	83%	0.829	48%	0.483	S	S	*	.	S	Bend	trans	58.2	16.8	173.6	-66	-35.3	0	0	0	116	Y258	Y258-D261 PolarHBondContact O-N 3.17Å; Y258-D261 VanDerWaalsContact O-N 3.11Å
262	A	74.6	Confident	84.4	Confident	61 Å²	61	82.5 Å²	82.5	50%	0.504	49%	0.489	S	S	.	.	S	Bend	trans	-129.9	143.4	178.6	0	0	0	0	0	111.8	Y258 G260 P264	Y258-A262 VanDerWaalsContact CB-O 3.24Å; Y258-A262 WeakPolarHBondContact CB-O 3.22Å; G260-A262 PolarHBondContact O-N 3.45Å; A262-P264 WeakPolarHBondContact O-CD 3.49Å
263	V	79.6	Confident	84.8	Confident	65 Å²	65	80.3 Å²	80.3	39%	0.394	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-65.8	124.7	172.2	-174.8	0	0	0	0	108.5	P228 R229 Y258 V265	P228-V263 HydrophobicContact CB-CG2 3.97Å; R229-V263 HydrophobicContact CG-CG1 4.08Å; Y258-V263 HydrophobicContact CD2-CG2 4.21Å; Y258-V263 HydrophobicContact CE2-CB 4.31Å; Y258-V263 HydrophobicContact CE2-CG1 4.36Å; Y258-V263 HydrophobicContact CE2-CG2 3.74Å; V263-V265 PolarHBondContact O-N 2.9Å
264	P	81.5	Confident	85.3	Confident	73 Å²	73	78 Å²	78	47%	0.474	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-60.2	126.1	-179.7	-25.6	34	0	0	0	111.4	R229 Y258 A262	R229-P264 PolarHBondContact NH2-O 2.73Å; Y258-P264 HydrophobicContact CD1-CG 4.01Å; Y258-P264 HydrophobicContact CE1-CG 4.4Å; A262-P264 WeakPolarHBondContact O-CD 3.49Å
265	V	82.4	Confident	85.8	Confident	140 Å²	140	81.2 Å²	81.2	85%	0.848	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-85.6	133.2	174.2	-178.7	0	0	0	0	108.6	V263	V263-V265 PolarHBondContact O-N 2.9Å
266	L	85.8	Confident	86.4	Confident	50 Å²	50	81.3 Å²	81.3	26%	0.262	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-72.2	143.4	178	-65.6	-179.2	0	0	0	111.2	R81 Y82	R81-L266 HydrophobicContact CG-CD1 4.25Å; Y82-L266 HydrophobicContact CD1-CD1 4.35Å; Y82-L266 HydrophobicContact CD1-CD2 3.78Å; Y82-L266 HydrophobicContact CD1-CG 4.48Å; Y82-L266 HydrophobicContact CE1-CD1 3.72Å; Y82-L266 HydrophobicContact CE1-CD2 3.69Å; Y82-L266 HydrophobicContact CE1-CG 3.91Å; Y82-L266 HydrophobicContact CE2-CD1 4.24Å
267	S	87.4	Confident	87	Confident	99 Å²	99	79.1 Å²	79.1	69%	0.692	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-67.4	141.5	170.6	-66.4	0	0	0	0	110.5	R81 C269	R81-S267 PolarHBondContact NH2-O 2.8Å; S267-C269 PolarHBondContact O-N 2.99Å
268	P	90.7	Very high	87.6	Confident	114 Å²	114	77.1 Å²	77.1	74%	0.74	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-57.2	132.2	174.4	-27.4	36	0	0	0	112.3	D353	P268-D353 WeakPolarHBondContact CA-OD2 3.43Å
269	C	94.2	Very high	88.3	Confident	8 Å²	8	81.8 Å²	81.8	5%	0.054	47%	0.468	C	S	.	.	P	Polyproline II helix	trans	-87.1	126.6	174.9	-71	0	0	0	0	110.4	R81 Y193 L198 S267 D353 T354	R81-C269 PolarHBondContact NH2-SG 2.74Å; Y193-C269 HydrophobicContact CD1-CB 4.16Å; Y193-C269 HydrophobicContact CE1-CB 4.46Å; L198-C269 HydrophobicContact CB-CB 4.27Å; L198-C269 HydrophobicContact CD1-CB 3.7Å; L198-C269 HydrophobicContact CG-CB 4.13Å; S267-C269 PolarHBondContact O-N 2.99Å; C269-D353 PolarHBondContact N-OD2 2.96Å; C269-T354 HydrophobicContact CB-CG2 4.29Å
270	R	95.3	Very high	89.3	Confident	167 Å²	167	76.1 Å²	76.1	63%	0.63	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-82.9	122.5	178.2	-178.5	-170.2	68	178.7	-1.2	110.3
271	F	97.6	Very high	90.5	Very high	29 Å²	29	77 Å²	77	13%	0.127	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-69.5	135.3	167	-176	-86.7	0	0	0	111.7	A192 Y193 E293 L356 C456 A458	A192-F271 HydrophobicContact CB-CD2 4.07Å; A192-F271 HydrophobicContact CB-CE2 3.73Å; A192-F271 HydrophobicContact CB-CZ 4.48Å; A192-F271 CarbonylContact O-C 3.51Å; A192-F271 VanDerWaalsContact O-CA 3.28Å; A192-F271 WeakPolarHBondContact O-CA 3.36Å; Y193-F271 HydrophobicContact CE1-CB 4.22Å; Y193-F271 HydrophobicContact CE1-CD2 4.3Å; F271-E293 HydrophobicContact CB-CB 3.92Å; F271-E293 HydrophobicContact CB-CG 3.83Å; F271-E293 HydrophobicContact CD1-CB 3.97Å; F271-E293 HydrophobicContact CD2-CB 3.9Å; F271-E293 HydrophobicContact CD2-CG 4.34Å; F271-E293 HydrophobicContact CE1-CB 4.49Å; F271-E293 HydrophobicContact CE2-CB 4.4Å; F271-E293 HydrophobicContact CG-CB 3.65Å; F271-E293 HydrophobicContact CG-CG 4.1Å; F271-L356 HydrophobicContact CD2-CD2 3.94Å; F271-L356 HydrophobicContact CE2-CD2 3.56Å; F271-C456 WeakPolarHBondContact CE1-O 3.49Å; F271-A458 HydrophobicContact CE2-CB 4.1Å; F271-A458 HydrophobicContact CZ-CB 3.66Å
272	T	95.8	Very high	91.6	Very high	19 Å²	19	73 Å²	73	12%	0.117	43%	0.426	C	S	.	.			trans	-119.6	123.6	175.3	45.8	0	0	0	0	110.4	T191 A192 Q194 S274	T191-T272 PolarHBondContact O-OG1 3.03Å; A192-T272 PolarHBondContact O-N 2.87Å; A192-T272 PolarHBondContact O-OG1 3.29Å; Q194-T272 HydrophobicContact CB-CG2 4.49Å; Q194-T272 PolarHBondContact N-OG1 3.5Å; T272-S274 PolarHBondContact O-N 2.69Å
273	G	95.9	Very high	92.6	Very high	31 Å²	31	72.2 Å²	72.2	32%	0.32	41%	0.414	S	S	.	.			trans	-80.7	112.7	170.2	0	0	0	0	0	110.5	P457 Y471	G273-P457 CarbonylContact C-O 3.58Å; G273-P457 VanDerWaalsContact CA-O 3.24Å; G273-P457 WeakPolarHBondContact CA-O 3.23Å; G273-Y471 WeakPolarHBondContact CA-OH 3.38Å; G273-Y471 PolarHBondContact O-OH 2.93Å
274	S	97.1	Very high	93.3	Very high	22 Å²	22	74.3 Å²	74.3	15%	0.154	43%	0.428	C	S	.	.			trans	-163	171.6	-177.2	45.7	0	0	0	0	110.7	T191 Q194 T272 P457 A458 V459	T191-S274 PolarHBondContact O-OG 2.99Å; T191-S274 PolarHBondContact OG1-OG 3.43Å; Q194-S274 PolarHBondContact NE2-OG 3.28Å; T272-S274 PolarHBondContact O-N 2.69Å; S274-P457 PolarHBondContact N-O 2.9Å; S274-A458 CarbonylContact O-C 3.57Å; S274-A458 VanDerWaalsContact O-CA 3.26Å; S274-A458 WeakPolarHBondContact O-CA 3.28Å; S274-V459 PolarHBondContact O-N 3.45Å
275	E	97.4	Very high	94	Very high	79 Å²	79	72.6 Å²	72.6	37%	0.369	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	156.5	176.3	65.1	-172	-173.5	0	0	113	V459 Y471 M474	E275-V459 CarbonylContact C-O 3.51Å; E275-V459 VanDerWaalsContact CA-O 3.23Å; E275-V459 WeakPolarHBondContact CA-O 3.5Å; E275-V459 HydrophobicContact CB-CB 4.05Å; E275-Y471 HydrophobicContact CB-CD2 4Å; E275-Y471 HydrophobicContact CG-CD2 4.19Å; E275-Y471 WeakPolarHBondContact OE2-CA 3.29Å; E275-Y471 WeakPolarHBondContact OE2-CB 3.34Å; E275-Y471 PolarHBondContact OE2-N 3.38Å; E275-M474 WeakPolarHBondContact OE2-CE 3.32Å
276	I	97.4	Very high	94.8	Very high	54 Å²	54	66 Å²	66	28%	0.277	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	125	166.4	-172.6	161.2	0	0	0	109.4	L187 T191 V459 A460 A461	L187-I276 HydrophobicContact CB-CG2 3.89Å; L187-I276 HydrophobicContact CD2-CD1 3.9Å; T191-I276 HydrophobicContact CG2-CG2 3.91Å; I276-V459 PolarHBondContact N-O 2.87Å; I276-A460 HydrophobicContact CG2-CB 3.91Å; I276-A460 WeakPolarHBondContact O-CA 3.38Å; I276-A461 PolarHBondContact O-N 3.06Å
277	C	96.4	Very high	95.4	Very high	60 Å²	60	65 Å²	65	41%	0.405	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	111.2	-168.6	-68.9	0	0	0	0	109.9	I465	C277-I465 HydrophobicContact CB-CD1 3.7Å
278	M	96	Very high	95.9	Very high	93 Å²	93	60.2 Å²	60.2	46%	0.458	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	85.8	174.4	-67.7	-169.7	173.2	0	0	109.3	L187 D280 A461 V462 G463	L187-M278 HydrophobicContact CD1-CE 4.03Å; L187-M278 HydrophobicContact CD1-CG 4.23Å; L187-M278 HydrophobicContact CD1-SD 3.63Å; L187-M278 HydrophobicContact CD2-CE 3.57Å; L187-M278 HydrophobicContact CD2-SD 4.3Å; L187-M278 HydrophobicContact CG-CE 4.46Å; M278-D280 PolarHBondContact O-N 3.44Å; M278-A461 PolarHBondContact N-O 3.07Å; M278-V462 HydrophobicContact CB-CG1 4.34Å; M278-V462 HydrophobicContact CB-CG2 4.38Å; M278-V462 WeakPolarHBondContact O-CA 3.32Å; M278-G463 PolarHBondContact O-N 2.73Å
279	R	95.5	Very high	96.2	Very high	123 Å²	123	54.8 Å²	54.8	46%	0.464	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	119.8	177.5	-177.7	176	173.8	164.5	-2.9	110.3	D281 G463 I465 E466	R279-D281 WeakPolarHBondContact CG-OD1 3.31Å; R279-D281 IonicContact CZ-OD1 3.16Å; R279-D281 IonicContact CZ-OD2 3.63Å; R279-D281 IonicContact NE-OD1 3.79Å; R279-D281 PolarHBondContact NE-OD1 2.72Å; R279-D281 IonicContact NE-OD2 2.79Å; R279-D281 PolarHBondContact NE-OD2 3.38Å; R279-D281 VanDerWaalsContact NE-OD2 3.15Å; R279-D281 IonicContact NH2-OD1 2.74Å; R279-D281 PolarHBondContact NH2-OD1 3.07Å; R279-D281 IonicContact NH2-OD2 3.2Å; R279-D281 PolarHBondContact NH2-OD2 3.3Å; R279-G463 WeakPolarHBondContact CA-O 3.47Å; R279-I465 HydrophobicContact CB-CD1 4.16Å; R279-I465 HydrophobicContact CB-CG1 3.9Å; R279-I465 HydrophobicContact CG-CG1 4.21Å; R279-E466 IonicContact CZ-OE1 2.73Å; R279-E466 VanDerWaalsContact CZ-OE1 3.3Å; R279-E466 IonicContact NH1-OE1 2.75Å; R279-E466 PolarHBondContact NH1-OE1 3Å; R279-E466 VanDerWaalsContact NH2-CD 3.32Å; R279-E466 IonicContact NH2-OE1 3.96Å; R279-E466 PolarHBondContact NH2-OE1 2.86Å; R279-E466 IonicContact NH2-OE2 2.62Å
280	D	95.4	Very high	96.5	Very high	82 Å²	82	54.4 Å²	54.4	44%	0.439	30%	0.298	S	S	.	.			trans	-136.5	104.6	167.9	-175.4	-6	0	0	0	109.1	M278 G282 L283 G463 P464	M278-D280 PolarHBondContact O-N 3.44Å; D280-G282 PolarHBondContact O-N 3.33Å; D280-G282 WeakPolarHBondContact OD1-CA 3.28Å; D280-G282 PolarHBondContact OD1-N 3.23Å; D280-L283 HydrophobicContact CB-CD1 4.1Å; D280-L283 HydrophobicContact CB-CG 4.2Å; D280-L283 PolarHBondContact O-N 2.72Å; D280-G463 PolarHBondContact N-O 3.19Å; D280-G463 CarbonylContact O-C 3.48Å; D280-G463 WeakPolarHBondContact O-CA 3.34Å; D280-P464 VanDerWaalsContact O-N 3.16Å
281	D	94.1	Very high	96.6	Very high	93 Å²	93	46.5 Å²	46.5	50%	0.497	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-5.1	-179.9	-62	-14.4	0	0	0	112.9	R279	R279-D281 WeakPolarHBondContact CG-OD1 3.31Å; R279-D281 IonicContact CZ-OD1 3.16Å; R279-D281 IonicContact CZ-OD2 3.63Å; R279-D281 IonicContact NE-OD1 3.79Å; R279-D281 PolarHBondContact NE-OD1 2.72Å; R279-D281 IonicContact NE-OD2 2.79Å; R279-D281 PolarHBondContact NE-OD2 3.38Å; R279-D281 VanDerWaalsContact NE-OD2 3.15Å; R279-D281 IonicContact NH2-OD1 2.74Å; R279-D281 PolarHBondContact NH2-OD1 3.07Å; R279-D281 IonicContact NH2-OD2 3.2Å; R279-D281 PolarHBondContact NH2-OD2 3.3Å
282	G	94.3	Very high	96.6	Very high	70 Å²	70	45.1 Å²	45.1	72%	0.722	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-19.1	172.2	0	0	0	0	0	113.6	D280	D280-G282 PolarHBondContact O-N 3.33Å; D280-G282 WeakPolarHBondContact OD1-CA 3.28Å; D280-G282 PolarHBondContact OD1-N 3.23Å
283	L	95.1	Very high	96.7	Very high	46 Å²	46	48.2 Å²	48.2	24%	0.241	28%	0.275	C	S	.	.	S	Bend	trans	-77.3	143.4	175	-69.2	177.2	0	0	0	111.3	L180 D280 V462	L180-L283 HydrophobicContact CD1-CD1 3.8Å; L180-L283 HydrophobicContact CD1-CD2 4.18Å; L180-L283 HydrophobicContact CD2-CD1 4.2Å; D280-L283 HydrophobicContact CB-CD1 4.1Å; D280-L283 HydrophobicContact CB-CG 4.2Å; D280-L283 PolarHBondContact O-N 2.72Å; L283-V462 HydrophobicContact CD1-CG1 4.32Å
284	P	94.3	Very high	96.7	Very high	108 Å²	108	46.9 Å²	46.9	70%	0.701	26%	0.261	S	S	*	.	S	Bend	trans	-73.9	-30.1	-173.8	29	-35.4	0	0	0	113.7
285	L	96.6	Very high	96.7	Very high	38 Å²	38	45.9 Å²	45.9	20%	0.199	25%	0.254	C	S	.	.	S	Bend	trans	-134.9	148.9	-172.5	-63.5	175.1	0	0	0	110.4	V362 P464	L285-V362 HydrophobicContact CB-CG1 3.82Å; L285-V362 HydrophobicContact CD1-CG1 3.82Å; L285-V362 HydrophobicContact CG-CG1 4.38Å; L285-P464 WeakPolarHBondContact O-CD 3.48Å
286	A	97.8	Very high	96.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	132.2	174.2	0	0	0	0	0	110.7	I288 V362 S363 I368 V462 P464 I465	A286-I288 HydrophobicContact CB-CD1 4.17Å; A286-I288 HydrophobicContact CB-CG1 4.41Å; A286-V362 WeakPolarHBondContact O-CA 3.48Å; A286-S363 PolarHBondContact N-O 2.96Å; A286-S363 PolarHBondContact O-N 3.05Å; A286-I368 HydrophobicContact CB-CD1 3.59Å; A286-I368 HydrophobicContact CB-CG1 4.27Å; A286-V462 WeakPolarHBondContact CA-O 3.46Å; A286-P464 HydrophobicContact CB-CG 4.37Å; A286-I465 HydrophobicContact CB-CG2 3.93Å
287	H	98.1	Very high	96.2	Very high	29 Å²	29	41 Å²	41	13%	0.134	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	111.5	179.1	-69.4	-102.7	0	0	0	109	L180 C184 Y360 A461 V462	L180-H287 HydrophobicContact CB-CB 4.41Å; C184-H287 HydrophobicContact CB-CB 4.37Å; C184-H287 PolarHBondContact SG-O 2.61Å; H287-Y360 HydrophobicContact CB-CE2 4.26Å; H287-Y360 AromaticContact ND1-CZ 3.95Å; H287-Y360 PolarHBondContact ND1-OH 3.37Å; H287-A461 WeakPolarHBondContact O-CA 3.46Å; H287-V462 HydrophobicContact CB-CB 4.49Å; H287-V462 PolarHBondContact N-O 2.8Å; H287-V462 PolarHBondContact O-N 3.03Å
288	I	98.5	Very high	95.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	132.8	-168.5	-57.9	169.4	0	0	0	109.8	A286 Y360 F361 I368 M372 A460 A461 I465 L468	A286-I288 HydrophobicContact CB-CD1 4.17Å; A286-I288 HydrophobicContact CB-CG1 4.41Å; I288-Y360 CarbonylContact O-C 3.52Å; I288-Y360 WeakPolarHBondContact O-CA 3.27Å; I288-Y360 WeakPolarHBondContact O-CD2 3.16Å; I288-F361 HydrophobicContact CB-CD1 4.44Å; I288-F361 HydrophobicContact CB-CD2 4.42Å; I288-F361 HydrophobicContact CB-CE1 4Å; I288-F361 HydrophobicContact CB-CE2 3.99Å; I288-F361 HydrophobicContact CB-CZ 3.77Å; I288-F361 HydrophobicContact CD1-CE2 3.78Å; I288-F361 HydrophobicContact CD1-CZ 3.9Å; I288-F361 HydrophobicContact CG1-CE2 4.37Å; I288-F361 HydrophobicContact CG1-CZ 4.42Å; I288-F361 HydrophobicContact CG2-CE1 3.81Å; I288-F361 HydrophobicContact CG2-CE2 4.45Å; I288-F361 HydrophobicContact CG2-CZ 3.73Å; I288-F361 PolarHBondContact N-O 2.9Å; I288-F361 PolarHBondContact O-N 3.36Å; I288-I368 HydrophobicContact CD1-CB 4.37Å; I288-I368 HydrophobicContact CD1-CD1 4.15Å; I288-I368 HydrophobicContact CD1-CG1 4.11Å; I288-I368 HydrophobicContact CD1-CG2 3.42Å; I288-I368 VanDerWaalsContact CD1-CG2 3.42Å; I288-M372 HydrophobicContact CG2-CE 3.93Å; I288-A460 WeakPolarHBondContact CA-O 3.44Å; I288-A461 HydrophobicContact CG1-CB 4.08Å; I288-A461 HydrophobicContact CG2-CB 4.5Å; I288-I465 HydrophobicContact CG1-CG2 4.46Å; I288-L468 HydrophobicContact CD1-CD1 4.14Å; I288-L468 HydrophobicContact CG2-CD1 4.17Å
289	A	98.4	Very high	95.8	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	129.4	173.2	0	0	0	0	0	110.3	L185 L188 I359 Y360 V459 A460	L185-A289 HydrophobicContact CD2-CB 4.24Å; L188-A289 HydrophobicContact CD2-CB 3.97Å; A289-I359 WeakPolarHBondContact CA-O 3.37Å; A289-Y360 HydrophobicContact CB-CD2 4.24Å; A289-V459 CarbonylContact O-C 3.58Å; A289-V459 WeakPolarHBondContact O-CA 3.45Å; A289-A460 PolarHBondContact N-O 3.3Å; A289-A460 PolarHBondContact O-N 2.62Å
290	I	98.5	Very high	95.6	Very high	0 Å²	0	38 Å²	38	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	132.7	171	-176.9	166.8	0	0	0	109.1	G358 I359 M372 T375 Q376 W379 P457 A458 V459	I290-G358 CarbonylContact O-C 3.51Å; I290-G358 WeakPolarHBondContact O-CA 3.34Å; I290-I359 PolarHBondContact N-O 3.26Å; I290-I359 PolarHBondContact O-N 3.48Å; I290-M372 HydrophobicContact CB-CE 4.29Å; I290-M372 HydrophobicContact CB-SD 4.5Å; I290-M372 HydrophobicContact CD1-CE 4.34Å; I290-M372 HydrophobicContact CD1-SD 3.78Å; I290-M372 HydrophobicContact CG2-CE 4.36Å; I290-M372 HydrophobicContact CG2-SD 4.22Å; I290-T375 HydrophobicContact CG2-CG2 3.84Å; I290-Q376 HydrophobicContact CD1-CG 4.39Å; I290-W379 HydrophobicContact CB-CH2 4.38Å; I290-W379 HydrophobicContact CD1-CH2 4.48Å; I290-W379 HydrophobicContact CD1-CZ3 4.07Å; I290-W379 HydrophobicContact CG1-CH2 3.84Å; I290-W379 HydrophobicContact CG1-CZ3 3.89Å; I290-W379 HydrophobicContact CG2-CH2 4.04Å; I290-W379 HydrophobicContact CG2-CZ3 4.48Å; I290-P457 HydrophobicContact CD1-CB 4Å; I290-P457 HydrophobicContact CD1-CG 4.32Å; I290-P457 HydrophobicContact CG1-CB 3.88Å; I290-A458 WeakPolarHBondContact CA-O 3.34Å; I290-V459 HydrophobicContact CB-CG2 4.43Å; I290-V459 HydrophobicContact CD1-CG2 4.17Å; I290-V459 HydrophobicContact CG1-CG2 4Å
291	A	98.4	Very high	95.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	159.9	179.1	0	0	0	0	0	113.1	L188 F347 L356 L357 P457 A458	L188-A291 HydrophobicContact CD1-CB 4.24Å; L188-A291 HydrophobicContact CD2-CB 3.84Å; L188-A291 HydrophobicContact CG-CB 4.46Å; A291-F347 HydrophobicContact CB-CE2 4.45Å; A291-F347 HydrophobicContact CB-CZ 4.21Å; A291-L356 HydrophobicContact CB-CB 4.49Å; A291-L356 HydrophobicContact CB-CD2 4.47Å; A291-L357 CarbonylContact C-O 3.41Å; A291-L357 WeakPolarHBondContact CA-O 3.21Å; A291-L357 WeakPolarHBondContact CB-O 3.48Å; A291-P457 CarbonylContact O-C 3.58Å; A291-P457 WeakPolarHBondContact O-CA 3.33Å; A291-P457 WeakPolarHBondContact O-CB 3.38Å; A291-A458 PolarHBondContact N-O 3.46Å; A291-A458 PolarHBondContact O-N 2.87Å
292	V	98.1	Very high	95.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	166.2	166.2	-68.4	0	0	0	0	109.4	G294 L357 W379 Y451 I452 K455 P457 M478	V292-G294 PolarHBondContact O-N 3.38Å; V292-L357 HydrophobicContact CG2-CB 4.17Å; V292-L357 HydrophobicContact CG2-CD2 4.37Å; V292-L357 PolarHBondContact N-O 3.19Å; V292-L357 PolarHBondContact O-N 3.32Å; V292-W379 HydrophobicContact CG1-CH2 4.46Å; V292-W379 HydrophobicContact CG1-CZ3 4.23Å; V292-Y451 WeakPolarHBondContact CG2-O 3.33Å; V292-I452 HydrophobicContact CG2-CG1 4.18Å; V292-K455 HydrophobicContact CG1-CB 4.23Å; V292-P457 HydrophobicContact CG1-CB 4.5Å; V292-M478 HydrophobicContact CG1-CE 3.62Å
293	E	97.8	Very high	95.8	Very high	84 Å²	84	28.4 Å²	28.4	39%	0.393	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	127.7	169.2	-168	170	-149.3	0	0	109.8	F271 T354 Y451	F271-E293 HydrophobicContact CB-CB 3.92Å; F271-E293 HydrophobicContact CB-CG 3.83Å; F271-E293 HydrophobicContact CD1-CB 3.97Å; F271-E293 HydrophobicContact CD2-CB 3.9Å; F271-E293 HydrophobicContact CD2-CG 4.34Å; F271-E293 HydrophobicContact CE1-CB 4.49Å; F271-E293 HydrophobicContact CE2-CB 4.4Å; F271-E293 HydrophobicContact CG-CB 3.65Å; F271-E293 HydrophobicContact CG-CG 4.1Å; E293-T354 PolarHBondContact OE1-OG1 2.79Å; E293-T354 VanDerWaalsContact OE1-OG1 3.08Å; E293-Y451 VanDerWaalsContact O-CD1 3.3Å; E293-Y451 WeakPolarHBondContact O-CD1 3.24Å
294	G	96	Very high	95.9	Very high	3 Å²	3	26.6 Å²	26.6	3%	0.031	16%	0.162	C	C	.	.			trans	-95.1	-167.8	176.7	0	0	0	0	0	112.2	V292 G355 Y451	V292-G294 PolarHBondContact O-N 3.38Å; G294-G355 VanDerWaalsContact N-C 3.33Å; G294-G355 PolarHBondContact N-O 2.84Å; G294-Y451 WeakPolarHBondContact O-CE1 3.31Å
295	A	95.6	Very high	96	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.008	13%	0.128	C	C	.	.			trans	-96.8	152.1	173.4	0	0	0	0	0	111.6	D301 L305 A350 Y451	A295-D301 HydrophobicContact CB-CB 4.35Å; A295-L305 HydrophobicContact CB-CD1 3.51Å; A295-A350 WeakPolarHBondContact O-CB 3.2Å; A295-Y451 HydrophobicContact CB-CE1 4.41Å
296	S	94.3	Very high	96	Very high	17 Å²	17	21.2 Å²	21.2	12%	0.119	13%	0.126	C	C	.	.			trans	-63.3	157.8	167.9	68.5	0	0	0	0	111.8	S298 S299 Y351 D353	S296-S298 PolarHBondContact O-N 3.44Å; S296-S298 PolarHBondContact OG-OG 3.37Å; S296-S299 WeakPolarHBondContact O-CB 3.35Å; S296-S299 PolarHBondContact O-N 3.47Å; S296-S299 WeakPolarHBondContact OG-CB 3.41Å; S296-S299 PolarHBondContact OG-N 2.95Å; S296-S299 VanDerWaalsContact OG-N 3.16Å; S296-Y351 CarbonylContact C-O 3.57Å; S296-Y351 WeakPolarHBondContact CA-O 3.5Å; S296-D353 VanDerWaalsContact CB-C 3.43Å
297	V	91.1	Very high	95.9	Very high	15 Å²	15	21.2 Å²	21.2	9%	0.091	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-34.1	172	177	0	0	0	0	111.5	A350 Y351 N422 Y423	V297-A350 HydrophobicContact CG2-CB 3.6Å; V297-A350 WeakPolarHBondContact CG2-O 3.5Å; V297-Y351 WeakPolarHBondContact CG2-O 3.06Å; V297-Y351 PolarHBondContact N-O 3.33Å; V297-N422 HydrophobicContact CG1-CB 3.9Å; V297-Y423 HydrophobicContact CG1-CD1 4.42Å; V297-Y423 HydrophobicContact CG1-CE1 3.63Å; V297-Y423 HydrophobicContact CG1-CE2 4.07Å; V297-Y423 VanDerWaalsContact CG1-CZ 3.42Å; V297-Y423 WeakPolarHBondContact CG1-OH 3.48Å; V297-Y423 VanDerWaalsContact O-CE1 3.29Å; V297-Y423 WeakPolarHBondContact O-CE1 3.4Å; V297-Y423 PolarHBondContact O-OH 3.26Å
298	S	89.1	Confident	95.9	Very high	90 Å²	90	19.8 Å²	19.8	63%	0.629	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-13.2	180	51.1	0	0	0	0	115.1	S296 S352	S296-S298 PolarHBondContact O-N 3.44Å; S296-S298 PolarHBondContact OG-OG 3.37Å; S298-S352 PolarHBondContact OG-O 2.96Å
299	S	94.2	Very high	95.7	Very high	19 Å²	19	21.2 Å²	21.2	13%	0.133	13%	0.127	C	C	.	.			trans	-76.4	140.1	-174.4	-178.5	0	0	0	0	112.6	S296 D301 I302	S296-S299 WeakPolarHBondContact O-CB 3.35Å; S296-S299 PolarHBondContact O-N 3.47Å; S296-S299 WeakPolarHBondContact OG-CB 3.41Å; S296-S299 PolarHBondContact OG-N 2.95Å; S296-S299 VanDerWaalsContact OG-N 3.16Å; S299-D301 PolarHBondContact O-N 2.96Å; S299-D301 PolarHBondContact OG-N 2.99Å; S299-I302 WeakPolarHBondContact O-CG2 3.47Å; S299-I302 PolarHBondContact O-N 3.2Å
300	P	92.9	Very high	95.6	Very high	103 Å²	103	22.4 Å²	22.4	67%	0.669	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-22.5	170.8	28.9	-35.8	0	0	0	112.8	I302	P300-I302 PolarHBondContact O-N 3.21Å
301	D	95.8	Very high	95.4	Very high	26 Å²	26	23.2 Å²	23.2	14%	0.139	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-12.7	-176.2	-59.7	-14.3	0	0	0	112.9	A295 S299 V303 P304 L305 I447 K450 Y451	A295-D301 HydrophobicContact CB-CB 4.35Å; S299-D301 PolarHBondContact O-N 2.96Å; S299-D301 PolarHBondContact OG-N 2.99Å; D301-V303 VanDerWaalsContact C-N 3.29Å; D301-V303 PolarHBondContact O-N 2.81Å; D301-P304 WeakPolarHBondContact O-CD 3.43Å; D301-L305 WeakPolarHBondContact O-CG 3.41Å; D301-L305 PolarHBondContact O-N 2.89Å; D301-L305 VanDerWaalsContact O-N 3.07Å; D301-I447 HydrophobicContact CB-CD1 4.1Å; D301-I447 HydrophobicContact CB-CG2 4.32Å; D301-I447 WeakPolarHBondContact OD1-CD1 3.45Å; D301-K450 IonicContact OD2-NZ 3.29Å; D301-K450 PolarHBondContact OD2-NZ 2.94Å; D301-Y451 HydrophobicContact CB-CE2 3.88Å; D301-Y451 WeakPolarHBondContact OD2-CE2 3.42Å; D301-Y451 PolarHBondContact OD2-OH 2.93Å
302	I	94.7	Very high	95.3	Very high	10 Å²	10	23.5 Å²	23.5	5%	0.051	14%	0.143	C	C	.	.	H	α-helix	trans	-58.3	-38.2	179.7	-164.9	165.7	0	0	0	112.6	S299 P300 L305 M306 A350	S299-I302 WeakPolarHBondContact O-CG2 3.47Å; S299-I302 PolarHBondContact O-N 3.2Å; P300-I302 PolarHBondContact O-N 3.21Å; I302-L305 PolarHBondContact O-N 2.79Å; I302-M306 HydrophobicContact CG1-CG 4.38Å; I302-M306 HydrophobicContact CG1-SD 4.02Å; I302-M306 WeakPolarHBondContact O-CB 3.39Å; I302-M306 VanDerWaalsContact O-CG 3.23Å; I302-M306 WeakPolarHBondContact O-CG 3.31Å; I302-M306 PolarHBondContact O-N 3.13Å; I302-A350 HydrophobicContact CD1-CB 3.82Å
303	V	96	Very high	95	Very high	7 Å²	7	24.6 Å²	24.6	4%	0.042	16%	0.155	C	C	.	.	H	α-helix	trans	-71.8	-47.5	-176.7	-170.8	0	0	0	0	111.6	D301 L305 M306 V307 W432 R435 I436 V439	D301-V303 VanDerWaalsContact C-N 3.29Å; D301-V303 PolarHBondContact O-N 2.81Å; V303-L305 VanDerWaalsContact C-N 3.3Å; V303-L305 PolarHBondContact O-N 3.35Å; V303-M306 PolarHBondContact O-N 3.21Å; V303-V307 WeakPolarHBondContact O-CG2 3.26Å; V303-V307 PolarHBondContact O-N 3.23Å; V303-W432 HydrophobicContact CG2-CZ3 4.03Å; V303-R435 HydrophobicContact CG1-CB 4.23Å; V303-R435 HydrophobicContact CG2-CB 4.29Å; V303-I436 HydrophobicContact CG1-CG1 3.85Å; V303-V439 HydrophobicContact CG1-CG2 4.03Å
304	P	96.8	Very high	94.7	Very high	8 Å²	8	24.2 Å²	24.2	5%	0.052	16%	0.161	C	C	.	.	H	α-helix	trans	-54.6	-39.6	167.4	-28.7	35.2	0	0	0	114.3	D301 V307 A308 V439 M443 I447	D301-P304 WeakPolarHBondContact O-CD 3.43Å; P304-V307 PolarHBondContact O-N 2.83Å; P304-A308 WeakPolarHBondContact O-CB 3.33Å; P304-A308 PolarHBondContact O-N 3.24Å; P304-V439 HydrophobicContact CG-CG2 4.37Å; P304-M443 HydrophobicContact CG-CE 4.3Å; P304-I447 HydrophobicContact CB-CB 4.15Å; P304-I447 HydrophobicContact CB-CG1 3.92Å; P304-I447 HydrophobicContact CB-CG2 4.16Å; P304-I447 HydrophobicContact CG-CG1 4.23Å
305	L	96.8	Very high	94.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-67.7	-40.6	177.2	-70	176.3	0	0	0	112.7	A295 D301 I302 V303 V307 A308 N309 L357 I447 Y451	A295-L305 HydrophobicContact CB-CD1 3.51Å; D301-L305 WeakPolarHBondContact O-CG 3.41Å; D301-L305 PolarHBondContact O-N 2.89Å; D301-L305 VanDerWaalsContact O-N 3.07Å; I302-L305 PolarHBondContact O-N 2.79Å; V303-L305 VanDerWaalsContact C-N 3.3Å; V303-L305 PolarHBondContact O-N 3.35Å; L305-V307 VanDerWaalsContact C-N 3.33Å; L305-V307 PolarHBondContact O-N 2.88Å; L305-A308 WeakPolarHBondContact O-CB 3.49Å; L305-A308 PolarHBondContact O-N 2.85Å; L305-N309 WeakPolarHBondContact O-CB 3.32Å; L305-N309 PolarHBondContact O-N 3.42Å; L305-L357 HydrophobicContact CD2-CD2 4.13Å; L305-I447 HydrophobicContact CD2-CG2 3.59Å; L305-I447 HydrophobicContact CG-CG2 3.78Å; L305-Y451 HydrophobicContact CD1-CD2 4.17Å; L305-Y451 HydrophobicContact CD1-CE2 4.2Å; L305-Y451 HydrophobicContact CD1-CG 4.41Å; L305-Y451 HydrophobicContact CD2-CD2 4.13Å; L305-Y451 HydrophobicContact CD2-CG 4.37Å
306	M	96.4	Very high	94.2	Very high	33 Å²	33	27 Å²	27	16%	0.163	17%	0.174	C	C	.	.	H	α-helix	trans	-62.5	-39.5	173.7	-71	168.2	72	0	0	111.7	I302 V303 N309 A310 L398 L402 W432	I302-M306 HydrophobicContact CG1-CG 4.38Å; I302-M306 HydrophobicContact CG1-SD 4.02Å; I302-M306 WeakPolarHBondContact O-CB 3.39Å; I302-M306 VanDerWaalsContact O-CG 3.23Å; I302-M306 WeakPolarHBondContact O-CG 3.31Å; I302-M306 PolarHBondContact O-N 3.13Å; V303-M306 PolarHBondContact O-N 3.21Å; M306-N309 PolarHBondContact O-N 2.84Å; M306-A310 WeakPolarHBondContact O-CB 3.23Å; M306-A310 PolarHBondContact O-N 2.92Å; M306-L398 HydrophobicContact CB-CD1 4.29Å; M306-L398 HydrophobicContact CB-CD2 3.77Å; M306-L398 HydrophobicContact CE-CD1 4.1Å; M306-L402 HydrophobicContact CE-CD2 4.36Å; M306-W432 HydrophobicContact CE-CZ3 4.31Å; M306-W432 HydrophobicContact SD-CH2 4.45Å; M306-W432 HydrophobicContact SD-CZ3 4.16Å
307	V	97.1	Very high	93.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-66.6	-43	173.5	173.5	0	0	0	0	111	V303 P304 L305 N309 A310 I311 V391 A394 Q395 L398 I436 V439 V444	V303-V307 WeakPolarHBondContact O-CG2 3.26Å; V303-V307 PolarHBondContact O-N 3.23Å; P304-V307 PolarHBondContact O-N 2.83Å; L305-V307 VanDerWaalsContact C-N 3.33Å; L305-V307 PolarHBondContact O-N 2.88Å; V307-N309 VanDerWaalsContact C-N 3.34Å; V307-N309 PolarHBondContact O-N 2.87Å; V307-A310 CarbonylContact O-C 3.59Å; V307-A310 PolarHBondContact O-N 3.39Å; V307-A310 VanDerWaalsContact O-N 3.16Å; V307-I311 WeakPolarHBondContact O-CG1 3.22Å; V307-I311 PolarHBondContact O-N 3.36Å; V307-V391 HydrophobicContact CG1-CG1 4.34Å; V307-A394 HydrophobicContact CG1-CB 4.01Å; V307-Q395 HydrophobicContact CG1-CG 4.47Å; V307-Q395 HydrophobicContact CG2-CG 4.43Å; V307-L398 HydrophobicContact CG2-CD2 3.83Å; V307-I436 HydrophobicContact CG2-CG2 4.29Å; V307-V439 HydrophobicContact CB-CG1 4.21Å; V307-V439 HydrophobicContact CG1-CG1 4.1Å; V307-V439 HydrophobicContact CG2-CB 4.31Å; V307-V439 HydrophobicContact CG2-CG1 4.32Å; V307-V439 HydrophobicContact CG2-CG2 4.09Å; V307-V444 HydrophobicContact CG1-CG2 4.3Å
308	A	96.5	Very high	93.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-59.8	-43.4	175.3	0	0	0	0	0	112.1	P304 L305 A310 I311 V312 L382 V444	P304-A308 WeakPolarHBondContact O-CB 3.33Å; P304-A308 PolarHBondContact O-N 3.24Å; L305-A308 WeakPolarHBondContact O-CB 3.49Å; L305-A308 PolarHBondContact O-N 2.85Å; A308-A310 VanDerWaalsContact C-N 3.32Å; A308-A310 PolarHBondContact O-N 3.48Å; A308-I311 WeakPolarHBondContact O-CB 3.46Å; A308-I311 PolarHBondContact O-N 2.74Å; A308-I311 VanDerWaalsContact O-N 3.14Å; A308-V312 PolarHBondContact O-N 3.02Å; A308-L382 HydrophobicContact CB-CD1 4.33Å; A308-V444 HydrophobicContact CB-CG1 4.09Å
309	N	95.4	Very high	93	Very high	29 Å²	29	38.7 Å²	38.7	16%	0.155	22%	0.221	C	C	.	.	H	α-helix	trans	-60.7	-41	174.5	-164.3	65.1	0	0	0	111.5	L305 M306 V307 I311 V312 G313 A346 F347 L357	L305-N309 WeakPolarHBondContact O-CB 3.32Å; L305-N309 PolarHBondContact O-N 3.42Å; M306-N309 PolarHBondContact O-N 2.84Å; V307-N309 VanDerWaalsContact C-N 3.34Å; V307-N309 PolarHBondContact O-N 2.87Å; N309-I311 VanDerWaalsContact C-N 3.32Å; N309-I311 PolarHBondContact O-N 3.4Å; N309-V312 PolarHBondContact O-N 3.27Å; N309-G313 PolarHBondContact O-N 2.85Å; N309-A346 PolarHBondContact ND2-O 2.88Å; N309-A346 WeakPolarHBondContact OD1-CB 3.3Å; N309-A346 PolarHBondContact OD1-O 2.92Å; N309-F347 PolarHBondContact OD1-N 3.09Å; N309-F347 PolarHBondContact OD1-O 3.36Å; N309-L357 HydrophobicContact CB-CD1 4.17Å
310	A	95.3	Very high	91.4	Very high	25 Å²	25	42 Å²	42	21%	0.207	26%	0.258	C	S	.	.	H	α-helix	trans	-70.8	-18.8	175.6	0	0	0	0	0	114.6	M306 V307 A308 A394 L398	M306-A310 WeakPolarHBondContact O-CB 3.23Å; M306-A310 PolarHBondContact O-N 2.92Å; V307-A310 CarbonylContact O-C 3.59Å; V307-A310 PolarHBondContact O-N 3.39Å; V307-A310 VanDerWaalsContact O-N 3.16Å; A308-A310 VanDerWaalsContact C-N 3.32Å; A308-A310 PolarHBondContact O-N 3.48Å; A310-A394 HydrophobicContact CB-CB 3.95Å; A310-L398 HydrophobicContact CB-CB 4.28Å
311	I	95.6	Very high	89.8	Confident	17 Å²	17	38.6 Å²	38.6	9%	0.087	24%	0.242	C	C	.	.	H	α-helix	trans	-70.4	-40.2	169.5	-67.2	170.1	0	0	0	110.5	V307 A308 N309 L382 V386 D390 V391 A394 V444	V307-I311 WeakPolarHBondContact O-CG1 3.22Å; V307-I311 PolarHBondContact O-N 3.36Å; A308-I311 WeakPolarHBondContact O-CB 3.46Å; A308-I311 PolarHBondContact O-N 2.74Å; A308-I311 VanDerWaalsContact O-N 3.14Å; N309-I311 VanDerWaalsContact C-N 3.32Å; N309-I311 PolarHBondContact O-N 3.4Å; I311-L382 HydrophobicContact CB-CD2 3.92Å; I311-L382 HydrophobicContact CD1-CD2 4.07Å; I311-L382 HydrophobicContact CG2-CD2 3.74Å; I311-V386 HydrophobicContact CD1-CG1 3.98Å; I311-D390 HydrophobicContact CD1-CB 4.42Å; I311-D390 HydrophobicContact CG1-CB 4.43Å; I311-D390 HydrophobicContact CG2-CB 4.24Å; I311-V391 HydrophobicContact CD1-CG2 4.24Å; I311-A394 HydrophobicContact CB-CB 4.39Å; I311-A394 HydrophobicContact CD1-CB 4.5Å; I311-A394 HydrophobicContact CG1-CB 3.44Å; I311-A394 VanDerWaalsContact CG1-CB 3.44Å; I311-V444 HydrophobicContact CD1-CG1 4.16Å
312	V	94.8	Very high	87.6	Confident	7 Å²	7	38.6 Å²	38.6	4%	0.042	25%	0.248	C	C	.	.	H	α-helix	trans	-72.8	-47.7	175.7	-174.6	0	0	0	0	110.7	A308 N309 S329 L331 F344 A346 I359 L382	A308-V312 PolarHBondContact O-N 3.02Å; N309-V312 PolarHBondContact O-N 3.27Å; V312-S329 WeakPolarHBondContact O-CB 3.29Å; V312-S329 PolarHBondContact O-OG 3.23Å; V312-L331 HydrophobicContact CG1-CD2 3.83Å; V312-F344 HydrophobicContact CG1-CE2 4.32Å; V312-A346 HydrophobicContact CB-CB 3.78Å; V312-A346 HydrophobicContact CG1-CB 3.76Å; V312-I359 HydrophobicContact CG1-CD1 3.8Å; V312-I359 HydrophobicContact CG1-CG1 4.35Å; V312-L382 HydrophobicContact CG2-CD1 3.84Å
313	G	92.6	Very high	85.8	Confident	23 Å²	23	47 Å²	47	24%	0.237	28%	0.284	C	S	.	.			trans	68.1	-149.4	176.5	0	0	0	0	0	113.9	N309 A346	N309-G313 PolarHBondContact O-N 2.85Å; G313-A346 VanDerWaalsContact O-CB 3.23Å; G313-A346 WeakPolarHBondContact O-CB 3.33Å; G313-A346 PolarHBondContact O-N 2.86Å
314	S	91.9	Very high	83.7	Confident	75 Å²	75	49.9 Å²	49.9	52%	0.524	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	163.2	178.3	57.3	0	0	0	0	111.2	F344	S314-F344 CarbonylContact C-O 3.54Å; S314-F344 WeakPolarHBondContact CA-O 3.47Å; S314-F344 VanDerWaalsContact CB-O 3.31Å; S314-F344 WeakPolarHBondContact CB-O 3.39Å
315	Y	91.6	Very high	81.5	Confident	12 Å²	12	57.4 Å²	57.4	5%	0.047	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	145.9	178.2	166.9	-110.1	0	0	0	109.5	L317 L327 A335 V336 S343 F344	Y315-L317 WeakPolarHBondContact OH-CA 3.5Å; Y315-L317 WeakPolarHBondContact OH-CD1 3.22Å; Y315-L327 HydrophobicContact CD2-CD1 4.21Å; Y315-L327 HydrophobicContact CE2-CD1 4.3Å; Y315-A335 HydrophobicContact CD1-CB 3.88Å; Y315-A335 HydrophobicContact CE1-CB 4.09Å; Y315-V336 HydrophobicContact CD2-CG2 4.08Å; Y315-V336 HydrophobicContact CE1-CG2 4.33Å; Y315-V336 HydrophobicContact CE2-CG2 3.28Å; Y315-V336 VanDerWaalsContact CZ-CG2 3.43Å; Y315-V336 WeakPolarHBondContact OH-CG2 3.2Å; Y315-S343 CarbonylContact O-C 3.6Å; Y315-S343 WeakPolarHBondContact O-CA 3.49Å; Y315-S343 VanDerWaalsContact O-CB 3.27Å; Y315-S343 WeakPolarHBondContact O-CB 3.46Å; Y315-F344 VanDerWaalsContact CB-CE1 3.41Å; Y315-F344 HydrophobicContact CD1-CD1 4.13Å; Y315-F344 HydrophobicContact CD1-CE1 4.21Å; Y315-F344 HydrophobicContact CG-CD1 4.41Å; Y315-F344 HydrophobicContact CG-CE1 4.16Å; Y315-F344 PolarHBondContact N-O 3.32Å; Y315-F344 PolarHBondContact O-N 3.21Å
316	D	89.9	Confident	79.5	Confident	50 Å²	50	65.3 Å²	65.3	27%	0.267	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	135.2	170.6	-172.6	-59.5	0	0	0	107.8	T318 Y319	D316-T318 PolarHBondContact O-N 3.49Å; D316-T318 VanDerWaalsContact O-N 3.15Å; D316-T318 VanDerWaalsContact OD1-CB 3.29Å; D316-T318 WeakPolarHBondContact OD1-CB 3.4Å; D316-T318 WeakPolarHBondContact OD1-CG2 3.36Å; D316-T318 PolarHBondContact OD1-N 2.79Å; D316-T318 PolarHBondContact OD1-OG1 3.41Å; D316-Y319 HydrophobicContact CB-CD2 3.53Å; D316-Y319 HydrophobicContact CB-CE2 3.7Å; D316-Y319 PolarHBondContact O-N 3.41Å
317	L	87.3	Confident	78.1	Confident	90 Å²	90	65.5 Å²	65.5	47%	0.471	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-27	179.1	-174.5	65.9	0	0	0	113.4	Y315 H342	Y315-L317 WeakPolarHBondContact OH-CA 3.5Å; Y315-L317 WeakPolarHBondContact OH-CD1 3.22Å; L317-H342 WeakPolarHBondContact CB-O 3.34Å; L317-H342 PolarHBondContact N-O 3.05Å
318	T	85.4	Confident	76.8	Confident	118 Å²	118	69.2 Å²	69.2	72%	0.724	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-18.7	178.7	65.4	0	0	0	0	113.9	D316 G320	D316-T318 PolarHBondContact O-N 3.49Å; D316-T318 VanDerWaalsContact O-N 3.15Å; D316-T318 VanDerWaalsContact OD1-CB 3.29Å; D316-T318 WeakPolarHBondContact OD1-CB 3.4Å; D316-T318 WeakPolarHBondContact OD1-CG2 3.36Å; D316-T318 PolarHBondContact OD1-N 2.79Å; D316-T318 PolarHBondContact OD1-OG1 3.41Å; T318-G320 PolarHBondContact O-N 2.85Å
319	Y	75.9	Confident	76.3	Confident	160 Å²	160	69.8 Å²	69.8	63%	0.627	40%	0.404	S	S	*	.	S	Bend	trans	-70.9	122.8	177.7	-75.6	-59.1	0	0	0	111.2	D316 G321 G322	D316-Y319 HydrophobicContact CB-CD2 3.53Å; D316-Y319 HydrophobicContact CB-CE2 3.7Å; D316-Y319 PolarHBondContact O-N 3.41Å; Y319-G321 PolarHBondContact O-N 2.76Å; Y319-G322 PolarHBondContact O-N 3.2Å
320	G	60.4	Low	76	Confident	89 Å²	89	75.3 Å²	75.3	92%	0.918	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-0.9	-177	0	0	0	0	0	116.9	T318 G322	T318-G320 PolarHBondContact O-N 2.85Å; G320-G322 VanDerWaalsContact C-N 3.27Å
321	G	59.7	Low	75.8	Confident	31 Å²	31	74.3 Å²	74.3	32%	0.32	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-8.3	166.4	0	0	0	0	0	114.5	Y319 K323	Y319-G321 PolarHBondContact O-N 2.76Å; G321-K323 PolarHBondContact O-N 2.87Å
322	G	50.2	Low	75.6	Confident	26 Å²	26	73.6 Å²	73.6	27%	0.268	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	13.2	-174.3	0	0	0	0	0	117.8	Y319 G320 V336	Y319-G322 PolarHBondContact O-N 3.2Å; G320-G322 VanDerWaalsContact C-N 3.27Å; G322-V336 VanDerWaalsContact O-CG1 3.31Å; G322-V336 WeakPolarHBondContact O-CG1 3.4Å
323	K	55.9	Low	75.4	Confident	186 Å²	186	78.6 Å²	78.6	81%	0.809	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.1	68.8	167.1	-70.9	-174.6	177.6	178.9	0	110.2	G321 Q325	G321-K323 PolarHBondContact O-N 2.87Å; K323-Q325 PolarHBondContact O-N 2.88Å
324	T	52.9	Low	75.2	Confident	69 Å²	69	78.8 Å²	78.8	42%	0.423	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	-28.2	161	55.3	0	0	0	0	121	V336 E337	T324-V336 HydrophobicContact CG2-CG1 3.79Å; T324-E337 HydrophobicContact CG2-CG 4.07Å
325	Q	49.1	Very low	75.2	Confident	166 Å²	166	75.2 Å²	75.2	78%	0.776	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	-3.8	-162	-149	150.5	17.7	0	0	115.4	K323	K323-Q325 PolarHBondContact O-N 2.88Å
326	H	56.5	Low	75	Confident	166 Å²	166	75.8 Å²	75.8	77%	0.769	40%	0.404	S	S	*	.	S	Bend	trans	-130	2.4	-175.3	-58.6	-38.3	0	0	0	115
327	L	65.9	Low	75	Confident	36 Å²	36	77.7 Å²	77.7	19%	0.188	41%	0.411	C	S	.	.			trans	-79	130	172.3	-70.9	172.5	0	0	0	110.3	Y315 A332 R333 V336	Y315-L327 HydrophobicContact CD2-CD1 4.21Å; Y315-L327 HydrophobicContact CE2-CD1 4.3Å; L327-A332 HydrophobicContact CB-CB 4.32Å; L327-A332 HydrophobicContact CD1-CB 4.39Å; L327-A332 HydrophobicContact CD2-CB 4.49Å; L327-R333 HydrophobicContact CB-CG 3.95Å; L327-R333 WeakPolarHBondContact O-CD 3.2Å; L327-R333 WeakPolarHBondContact O-CG 3.31Å; L327-V336 HydrophobicContact CD1-CB 4.23Å; L327-V336 HydrophobicContact CD1-CG2 3.44Å; L327-V336 VanDerWaalsContact CD1-CG2 3.44Å
328	S	70.2	Confident	75.1	Confident	79 Å²	79	77.5 Å²	77.5	55%	0.552	41%	0.411	S	S	*	.			trans	-103.4	-20.5	-165.7	68.7	0	0	0	0	114.2	R393	S328-R393 PolarHBondContact O-NE 3.02Å; S328-R393 PolarHBondContact O-NH2 3.32Å
329	S	86	Confident	75.3	Confident	11 Å²	11	75.8 Å²	75.8	8%	0.077	40%	0.397	C	S	.	.	S	Bend	trans	-79.9	139.6	166.8	166.6	0	0	0	0	110.7	V312 L331 A332 R333	V312-S329 WeakPolarHBondContact O-CB 3.29Å; V312-S329 PolarHBondContact O-OG 3.23Å; S329-L331 VanDerWaalsContact C-N 3.35Å; S329-L331 PolarHBondContact OG-N 3.33Å; S329-A332 PolarHBondContact O-N 3.49Å; S329-R333 WeakPolarHBondContact O-CG 3.1Å; S329-R333 PolarHBondContact O-N 3.03Å; S329-R333 VanDerWaalsContact O-N 3.1Å
330	R	88.9	Confident	76.1	Confident	145 Å²	145	68.4 Å²	68.4	55%	0.547	37%	0.369	S	S	.	.	H	α-helix	trans	-64.2	-38.2	176.3	-174.3	177.6	179.6	-173.9	-2.6	112.3	R333 L334 N381	R330-R333 PolarHBondContact O-N 3.36Å; R330-L334 HydrophobicContact CG-CD1 4.41Å; R330-L334 WeakPolarHBondContact O-CG 3.27Å; R330-L334 PolarHBondContact O-N 2.84Å; R330-N381 PolarHBondContact NH1-ND2 3.14Å; R330-N381 PolarHBondContact NH1-OD1 3.32Å
331	L	91.8	Very high	77.7	Confident	4 Å²	4	64.3 Å²	64.3	2%	0.021	33%	0.326	C	S	.	.	H	α-helix	trans	-68.9	-40.5	177.6	-175.1	61.3	0	0	0	110.8	V312 S329 R333 L334 A335 F344 I359 M371 W374 A378	V312-L331 HydrophobicContact CG1-CD2 3.83Å; S329-L331 VanDerWaalsContact C-N 3.35Å; S329-L331 PolarHBondContact OG-N 3.33Å; L331-R333 VanDerWaalsContact C-N 3.29Å; L331-R333 PolarHBondContact O-N 2.98Å; L331-L334 PolarHBondContact O-N 3.04Å; L331-A335 WeakPolarHBondContact O-CB 3.46Å; L331-A335 PolarHBondContact O-N 3.42Å; L331-F344 HydrophobicContact CB-CE1 4.31Å; L331-F344 HydrophobicContact CB-CZ 3.88Å; L331-F344 HydrophobicContact CD2-CD1 4.45Å; L331-F344 HydrophobicContact CD2-CD2 4.15Å; L331-F344 HydrophobicContact CD2-CE1 4.15Å; L331-F344 HydrophobicContact CD2-CE2 3.87Å; L331-F344 HydrophobicContact CD2-CG 4.47Å; L331-F344 HydrophobicContact CD2-CZ 3.87Å; L331-F344 HydrophobicContact CG-CD1 4.35Å; L331-F344 HydrophobicContact CG-CE1 3.73Å; L331-F344 HydrophobicContact CG-CE2 4.21Å; L331-F344 HydrophobicContact CG-CZ 3.68Å; L331-I359 HydrophobicContact CD2-CD1 4.42Å; L331-M371 HydrophobicContact CD1-CE 4.47Å; L331-M371 HydrophobicContact CD2-CE 4.46Å; L331-W374 HydrophobicContact CD1-CB 3.9Å; L331-A378 HydrophobicContact CB-CB 4.34Å; L331-A378 HydrophobicContact CD2-CB 4.26Å
332	A	91	Very high	79.4	Confident	2 Å²	2	65.9 Å²	65.9	2%	0.017	33%	0.325	C	S	.	.	H	α-helix	trans	-62.4	-36.2	176.6	0	0	0	0	0	112.6	L327 S329 V336 F344	L327-A332 HydrophobicContact CB-CB 4.32Å; L327-A332 HydrophobicContact CD1-CB 4.39Å; L327-A332 HydrophobicContact CD2-CB 4.49Å; S329-A332 PolarHBondContact O-N 3.49Å; A332-V336 PolarHBondContact O-N 2.99Å; A332-F344 HydrophobicContact CB-CE1 4.31Å; A332-F344 HydrophobicContact CB-CZ 3.94Å
333	R	89.3	Confident	81.5	Confident	112 Å²	112	65.8 Å²	65.8	42%	0.423	32%	0.32	S	S	.	.	H	α-helix	trans	-65.6	-49.9	174.4	-75.3	-176.8	55.8	-155.7	-14.4	112.4	L327 S329 R330 L331 A335 V336 E337	L327-R333 HydrophobicContact CB-CG 3.95Å; L327-R333 WeakPolarHBondContact O-CD 3.2Å; L327-R333 WeakPolarHBondContact O-CG 3.31Å; S329-R333 WeakPolarHBondContact O-CG 3.1Å; S329-R333 PolarHBondContact O-N 3.03Å; S329-R333 VanDerWaalsContact O-N 3.1Å; R330-R333 PolarHBondContact O-N 3.36Å; L331-R333 VanDerWaalsContact C-N 3.29Å; L331-R333 PolarHBondContact O-N 2.98Å; R333-A335 VanDerWaalsContact C-N 3.34Å; R333-A335 PolarHBondContact O-N 3.42Å; R333-V336 PolarHBondContact O-N 3.32Å; R333-E337 IonicContact CZ-OE1 2.96Å; R333-E337 IonicContact NE-OE1 3.24Å; R333-E337 PolarHBondContact NE-OE1 3.01Å; R333-E337 IonicContact NH2-OE1 2.93Å; R333-E337 PolarHBondContact NH2-OE1 2.98Å; R333-E337 IonicContact NH2-OE2 3.93Å; R333-E337 WeakPolarHBondContact O-CB 3.45Å; R333-E337 VanDerWaalsContact O-CG 3.29Å; R333-E337 WeakPolarHBondContact O-CG 3.41Å; R333-E337 PolarHBondContact O-N 2.89Å
334	L	90.1	Very high	83.4	Confident	28 Å²	28	57.1 Å²	57.1	15%	0.147	28%	0.282	C	S	.	.	H	α-helix	trans	-62.5	-40.7	178.6	-67	168.1	0	0	0	111.8	R330 L331 V336 E337 D338 L340 W374	R330-L334 HydrophobicContact CG-CD1 4.41Å; R330-L334 WeakPolarHBondContact O-CG 3.27Å; R330-L334 PolarHBondContact O-N 2.84Å; L331-L334 PolarHBondContact O-N 3.04Å; L334-V336 PolarHBondContact O-N 3Å; L334-E337 PolarHBondContact O-N 3.44Å; L334-D338 PolarHBondContact O-N 3.36Å; L334-L340 HydrophobicContact CB-CD1 4.3Å; L334-W374 HydrophobicContact CD1-CD2 3.83Å; L334-W374 HydrophobicContact CD1-CE3 3.52Å; L334-W374 HydrophobicContact CD1-CG 4.45Å; L334-W374 HydrophobicContact CD1-CH2 4.29Å; L334-W374 HydrophobicContact CD1-CZ3 3.78Å
335	A	90.4	Very high	85.4	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-57.4	-33.6	175.4	0	0	0	0	0	113.5	Y315 L331 R333 N339 L340 F344	Y315-A335 HydrophobicContact CD1-CB 3.88Å; Y315-A335 HydrophobicContact CE1-CB 4.09Å; L331-A335 WeakPolarHBondContact O-CB 3.46Å; L331-A335 PolarHBondContact O-N 3.42Å; R333-A335 VanDerWaalsContact C-N 3.34Å; R333-A335 PolarHBondContact O-N 3.42Å; A335-N339 CarbonylContact O-C 3.47Å; A335-N339 VanDerWaalsContact O-CA 3.22Å; A335-N339 WeakPolarHBondContact O-CA 3.43Å; A335-N339 PolarHBondContact O-N 3.22Å; A335-L340 PolarHBondContact O-N 2.88Å; A335-F344 HydrophobicContact CB-CD1 4.28Å; A335-F344 HydrophobicContact CB-CE1 3.95Å
336	V	88.8	Confident	87.7	Confident	24 Å²	24	50.7 Å²	50.7	15%	0.145	25%	0.249	C	C	.	.	H	α-helix	trans	-84.6	-43.8	174.6	172.3	0	0	0	0	112.9	Y315 G322 T324 L327 A332 R333 L334 D338	Y315-V336 HydrophobicContact CD2-CG2 4.08Å; Y315-V336 HydrophobicContact CE1-CG2 4.33Å; Y315-V336 HydrophobicContact CE2-CG2 3.28Å; Y315-V336 VanDerWaalsContact CZ-CG2 3.43Å; Y315-V336 WeakPolarHBondContact OH-CG2 3.2Å; G322-V336 VanDerWaalsContact O-CG1 3.31Å; G322-V336 WeakPolarHBondContact O-CG1 3.4Å; T324-V336 HydrophobicContact CG2-CG1 3.79Å; L327-V336 HydrophobicContact CD1-CB 4.23Å; L327-V336 HydrophobicContact CD1-CG2 3.44Å; L327-V336 VanDerWaalsContact CD1-CG2 3.44Å; A332-V336 PolarHBondContact O-N 2.99Å; R333-V336 PolarHBondContact O-N 3.32Å; L334-V336 PolarHBondContact O-N 3Å; V336-D338 VanDerWaalsContact C-N 3.33Å; V336-D338 PolarHBondContact O-N 3.02Å
337	E	88.2	Confident	89.6	Confident	89 Å²	89	44 Å²	44	42%	0.416	22%	0.217	S	C	.	.	H	α-helix	trans	-63.6	-40.2	-176.6	-72.6	170.1	-159.4	0	0	110.7	T324 R333 L334	T324-E337 HydrophobicContact CG2-CG 4.07Å; R333-E337 IonicContact CZ-OE1 2.96Å; R333-E337 IonicContact NE-OE1 3.24Å; R333-E337 PolarHBondContact NE-OE1 3.01Å; R333-E337 IonicContact NH2-OE1 2.93Å; R333-E337 PolarHBondContact NH2-OE1 2.98Å; R333-E337 IonicContact NH2-OE2 3.93Å; R333-E337 WeakPolarHBondContact O-CB 3.45Å; R333-E337 VanDerWaalsContact O-CG 3.29Å; R333-E337 WeakPolarHBondContact O-CG 3.41Å; R333-E337 PolarHBondContact O-N 2.89Å; L334-E337 PolarHBondContact O-N 3.44Å
338	D	89.6	Confident	90.9	Very high	86 Å²	86	44.2 Å²	44.2	46%	0.46	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	3.2	-177.9	-59.4	-36.8	0	0	0	114	L334 V336 L340	L334-D338 PolarHBondContact O-N 3.36Å; V336-D338 VanDerWaalsContact C-N 3.33Å; V336-D338 PolarHBondContact O-N 3.02Å; D338-L340 HydrophobicContact CB-CD2 3.74Å; D338-L340 HydrophobicContact CB-CG 3.94Å; D338-L340 PolarHBondContact O-N 3.1Å
339	N	90.9	Very high	92.1	Very high	83 Å²	83	42.4 Å²	42.4	44%	0.444	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	47.5	-179.1	-166.9	83.8	0	0	0	114.1	A335	A335-N339 CarbonylContact O-C 3.47Å; A335-N339 VanDerWaalsContact O-CA 3.22Å; A335-N339 WeakPolarHBondContact O-CA 3.43Å; A335-N339 PolarHBondContact O-N 3.22Å
340	L	92.4	Very high	92.5	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.021	21%	0.212	C	C	.	.			trans	-76	-26.4	-169.7	-57	174.6	0	0	0	115	L334 A335 D338 S363 H367 D370 M371 W374	L334-L340 HydrophobicContact CB-CD1 4.3Å; A335-L340 PolarHBondContact O-N 2.88Å; D338-L340 HydrophobicContact CB-CD2 3.74Å; D338-L340 HydrophobicContact CB-CG 3.94Å; D338-L340 PolarHBondContact O-N 3.1Å; L340-S363 PolarHBondContact O-OG 3.48Å; L340-H367 WeakPolarHBondContact O-CB 3.36Å; L340-D370 HydrophobicContact CD2-CB 3.88Å; L340-M371 HydrophobicContact CB-CB 4.2Å; L340-M371 HydrophobicContact CB-CG 4.48Å; L340-M371 HydrophobicContact CB-SD 3.8Å; L340-M371 HydrophobicContact CD1-SD 4.2Å; L340-W374 HydrophobicContact CD1-CB 4.12Å; L340-W374 HydrophobicContact CD1-CG 3.96Å
341	C	94.4	Very high	92.8	Very high	4 Å²	4	37.3 Å²	37.3	3%	0.027	19%	0.19	C	C	.	.			trans	-160.3	155.8	-173.4	64.5	0	0	0	0	111.6	V362 M371	C341-V362 CarbonylContact C-O 3.46Å; C341-V362 WeakPolarHBondContact CB-O 3.35Å; C341-M371 HydrophobicContact CB-CE 4.34Å; C341-M371 HydrophobicContact CB-CG 4.19Å; C341-M371 HydrophobicContact CB-SD 4.16Å
342	H	94.3	Very high	92.8	Very high	64 Å²	64	39.8 Å²	39.8	30%	0.296	21%	0.207	S	C	.	.	S	Bend	trans	-71.2	-40.9	169.2	-79.4	-98.6	0	0	0	111.9	L317 V362 D364	L317-H342 WeakPolarHBondContact CB-O 3.34Å; L317-H342 PolarHBondContact N-O 3.05Å; H342-V362 PolarHBondContact N-O 2.95Å; H342-D364 IonicContact NE2-OD1 3.55Å; H342-D364 IonicContact NE2-OD2 2.76Å
343	S	95	Very high	92.9	Very high	24 Å²	24	42.1 Å²	42.1	17%	0.168	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	156.1	176.9	61.3	0	0	0	0	111.3	Y315 F361 V362	Y315-S343 CarbonylContact O-C 3.6Å; Y315-S343 WeakPolarHBondContact O-CA 3.49Å; Y315-S343 VanDerWaalsContact O-CB 3.27Å; Y315-S343 WeakPolarHBondContact O-CB 3.46Å; S343-F361 VanDerWaalsContact O-CA 3.3Å; S343-F361 WeakPolarHBondContact O-CA 3.43Å; S343-F361 WeakPolarHBondContact O-CB 3.45Å; S343-V362 PolarHBondContact N-O 3.44Å; S343-V362 PolarHBondContact O-N 3Å
344	F	96.1	Very high	93.2	Very high	3 Å²	3	37 Å²	37	1%	0.013	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	153.8	162.7	73.8	-103.8	0	0	0	111.2	V312 S314 Y315 L331 A332 A335 I359 Y360 F361 M371	V312-F344 HydrophobicContact CG1-CE2 4.32Å; S314-F344 CarbonylContact C-O 3.54Å; S314-F344 WeakPolarHBondContact CA-O 3.47Å; S314-F344 VanDerWaalsContact CB-O 3.31Å; S314-F344 WeakPolarHBondContact CB-O 3.39Å; Y315-F344 VanDerWaalsContact CB-CE1 3.41Å; Y315-F344 HydrophobicContact CD1-CD1 4.13Å; Y315-F344 HydrophobicContact CD1-CE1 4.21Å; Y315-F344 HydrophobicContact CG-CD1 4.41Å; Y315-F344 HydrophobicContact CG-CE1 4.16Å; Y315-F344 PolarHBondContact N-O 3.32Å; Y315-F344 PolarHBondContact O-N 3.21Å; L331-F344 HydrophobicContact CB-CE1 4.31Å; L331-F344 HydrophobicContact CB-CZ 3.88Å; L331-F344 HydrophobicContact CD2-CD1 4.45Å; L331-F344 HydrophobicContact CD2-CD2 4.15Å; L331-F344 HydrophobicContact CD2-CE1 4.15Å; L331-F344 HydrophobicContact CD2-CE2 3.87Å; L331-F344 HydrophobicContact CD2-CG 4.47Å; L331-F344 HydrophobicContact CD2-CZ 3.87Å; L331-F344 HydrophobicContact CG-CD1 4.35Å; L331-F344 HydrophobicContact CG-CE1 3.73Å; L331-F344 HydrophobicContact CG-CE2 4.21Å; L331-F344 HydrophobicContact CG-CZ 3.68Å; A332-F344 HydrophobicContact CB-CE1 4.31Å; A332-F344 HydrophobicContact CB-CZ 3.94Å; A335-F344 HydrophobicContact CB-CD1 4.28Å; A335-F344 HydrophobicContact CB-CE1 3.95Å; F344-I359 HydrophobicContact CB-CG2 4.43Å; F344-Y360 CarbonylContact C-O 3.57Å; F344-Y360 WeakPolarHBondContact CA-O 3.42Å; F344-Y360 WeakPolarHBondContact CB-O 3.44Å; F344-F361 HydrophobicContact CB-CB 3.66Å; F344-M371 HydrophobicContact CB-CE 3.82Å; F344-M371 HydrophobicContact CD1-CE 3.68Å; F344-M371 HydrophobicContact CG-CE 3.95Å
345	Q	95.5	Very high	93.5	Very high	94 Å²	94	35.7 Å²	35.7	44%	0.439	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	118.3	175.9	-176	175.5	3.6	0	0	109.6	Y360	Q345-Y360 PolarHBondContact N-O 3.16Å; Q345-Y360 PolarHBondContact O-N 3Å
346	A	96.2	Very high	93.8	Very high	7 Å²	7	35.7 Å²	35.7	6%	0.058	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	125.6	165.4	0	0	0	0	0	109.2	N309 V312 G313 G358 I359	N309-A346 PolarHBondContact ND2-O 2.88Å; N309-A346 WeakPolarHBondContact OD1-CB 3.3Å; N309-A346 PolarHBondContact OD1-O 2.92Å; V312-A346 HydrophobicContact CB-CB 3.78Å; V312-A346 HydrophobicContact CG1-CB 3.76Å; G313-A346 VanDerWaalsContact O-CB 3.23Å; G313-A346 WeakPolarHBondContact O-CB 3.33Å; G313-A346 PolarHBondContact O-N 2.86Å; A346-G358 CarbonylContact C-O 3.55Å; A346-G358 WeakPolarHBondContact CA-O 3.5Å; A346-I359 HydrophobicContact CB-CG1 4.07Å
347	F	96.1	Very high	94.2	Very high	24 Å²	24	34.8 Å²	34.8	11%	0.105	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	152.9	-175.2	66.5	-96.2	0	0	0	112	L185 L188 A291 N309 L356 G358	L185-F347 HydrophobicContact CD2-CD1 4.5Å; L185-F347 HydrophobicContact CD2-CE1 3.98Å; L185-F347 HydrophobicContact CD2-CE2 4.5Å; L185-F347 HydrophobicContact CD2-CZ 3.98Å; L188-F347 HydrophobicContact CD2-CE2 4.12Å; L188-F347 HydrophobicContact CD2-CZ 3.54Å; A291-F347 HydrophobicContact CB-CE2 4.45Å; A291-F347 HydrophobicContact CB-CZ 4.21Å; N309-F347 PolarHBondContact OD1-N 3.09Å; N309-F347 PolarHBondContact OD1-O 3.36Å; F347-L356 HydrophobicContact CE2-CB 4.29Å; F347-G358 VanDerWaalsContact CE1-C 3.5Å; F347-G358 PolarHBondContact N-O 2.86Å; F347-G358 PolarHBondContact O-N 3Å
348	H	94.6	Very high	94.7	Very high	42 Å²	42	30.6 Å²	30.6	19%	0.194	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	114.8	175.8	167.8	-83.8	0	0	0	109.2	L356 L357	H348-L356 CarbonylContact C-O 3.56Å; H348-L356 WeakPolarHBondContact CA-O 3.16Å; H348-L357 HydrophobicContact CB-CD1 4.18Å
349	S	94.9	Very high	95.1	Very high	40 Å²	40	26.5 Å²	26.5	28%	0.28	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	111.5	178	-62.3	0	0	0	0	108.7	G355 L356	S349-G355 CarbonylContact O-C 3.51Å; S349-G355 WeakPolarHBondContact O-CA 3.5Å; S349-L356 PolarHBondContact N-O 3.25Å; S349-L356 PolarHBondContact O-N 3.4Å
350	A	94.5	Very high	95.4	Very high	27 Å²	27	22.9 Å²	22.9	22%	0.223	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	138.2	176.6	0	0	0	0	0	111.2	A295 V297 I302	A295-A350 WeakPolarHBondContact O-CB 3.2Å; V297-A350 HydrophobicContact CG2-CB 3.6Å; V297-A350 WeakPolarHBondContact CG2-O 3.5Å; I302-A350 HydrophobicContact CD1-CB 3.82Å
351	Y	95.1	Very high	95.7	Very high	23 Å²	23	22.7 Å²	22.7	9%	0.09	13%	0.126	C	C	.	.			trans	-112.7	176.1	174.9	-60.8	-62.9	0	0	0	110.5	R127 E128 H189 L198 S296 V297 D353 T354	R127-Y351 HydrophobicContact CB-CE1 4.1Å; E128-Y351 HydrophobicContact CG-CD1 3.91Å; E128-Y351 VanDerWaalsContact OE2-CA 3.22Å; E128-Y351 WeakPolarHBondContact OE2-CA 3.42Å; E128-Y351 WeakPolarHBondContact OE2-CB 3.26Å; H189-Y351 PolarHBondContact CD2-OH 3.48Å; H189-Y351 AromaticContact NE2-CZ 3.97Å; H189-Y351 PolarHBondContact NE2-OH 2.95Å; L198-Y351 HydrophobicContact CD1-CD2 3.76Å; L198-Y351 HydrophobicContact CD1-CE2 4.39Å; L198-Y351 HydrophobicContact CD1-CG 4.05Å; L198-Y351 HydrophobicContact CD2-CD1 4.03Å; L198-Y351 HydrophobicContact CD2-CD2 4.12Å; L198-Y351 HydrophobicContact CD2-CE1 4.21Å; L198-Y351 HydrophobicContact CD2-CE2 4.29Å; L198-Y351 HydrophobicContact CD2-CG 4Å; S296-Y351 CarbonylContact C-O 3.57Å; S296-Y351 WeakPolarHBondContact CA-O 3.5Å; V297-Y351 WeakPolarHBondContact CG2-O 3.06Å; V297-Y351 PolarHBondContact N-O 3.33Å; Y351-D353 PolarHBondContact O-N 3.46Å; Y351-D353 VanDerWaalsContact O-N 3.15Å; Y351-T354 CarbonylContact C-O 3.52Å; Y351-T354 WeakPolarHBondContact CA-O 3.47Å; Y351-T354 WeakPolarHBondContact CB-O 3.5Å; Y351-T354 PolarHBondContact N-O 3.39Å
352	S	92.4	Very high	95.9	Very high	55 Å²	55	23 Å²	23	39%	0.385	13%	0.127	S	C	.	.	S	Bend	trans	-54.1	-32.2	-178.1	55.9	0	0	0	0	114.9	R81 E128 S298	R81-S352 PolarHBondContact NH1-OG 2.77Å; E128-S352 WeakPolarHBondContact OE1-CB 3.19Å; E128-S352 PolarHBondContact OE1-N 3.47Å; E128-S352 PolarHBondContact OE1-OG 2.71Å; E128-S352 PolarHBondContact OE2-N 3.22Å; S298-S352 PolarHBondContact OG-O 2.96Å
353	D	92.4	Very high	96	Very high	52 Å²	52	19.9 Å²	19.9	28%	0.278	11%	0.113	S	C	.	.	S	Bend	trans	-129.1	-24.5	-172	65.5	-29.3	0	0	0	115.5	R81 P268 C269 S296 Y351	R81-D353 IonicContact CZ-OD1 3.54Å; R81-D353 IonicContact CZ-OD2 3.27Å; R81-D353 IonicContact NH1-OD1 2.77Å; R81-D353 PolarHBondContact NH1-OD1 2.92Å; R81-D353 IonicContact NH1-OD2 2.61Å; R81-D353 IonicContact NH2-OD1 3.84Å; R81-D353 PolarHBondContact NH2-OD1 2.83Å; R81-D353 IonicContact NH2-OD2 3.49Å; R81-D353 PolarHBondContact NH2-OD2 3.15Å; P268-D353 WeakPolarHBondContact CA-OD2 3.43Å; C269-D353 PolarHBondContact N-OD2 2.96Å; S296-D353 VanDerWaalsContact CB-C 3.43Å; Y351-D353 PolarHBondContact O-N 3.46Å; Y351-D353 VanDerWaalsContact O-N 3.15Å
354	T	95.6	Very high	96	Very high	5 Å²	5	21.2 Å²	21.2	3%	0.031	12%	0.119	C	C	.	.			trans	-144.1	-170.3	-178.3	-170.7	0	0	0	0	110.6	Y193 L198 C269 E293 Y351	Y193-T354 HydrophobicContact CE1-CG2 3.61Å; Y193-T354 WeakPolarHBondContact OH-CG2 3.29Å; Y193-T354 PolarHBondContact OH-OG1 3.35Å; L198-T354 HydrophobicContact CD1-CG2 3.59Å; C269-T354 HydrophobicContact CB-CG2 4.29Å; E293-T354 PolarHBondContact OE1-OG1 2.79Å; E293-T354 VanDerWaalsContact OE1-OG1 3.08Å; Y351-T354 CarbonylContact C-O 3.52Å; Y351-T354 WeakPolarHBondContact CA-O 3.47Å; Y351-T354 WeakPolarHBondContact CB-O 3.5Å; Y351-T354 PolarHBondContact N-O 3.39Å
355	G	96	Very high	95.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.7	178.6	177.9	0	0	0	0	0	113.3	Y193 G294 S349	Y193-G355 VanDerWaalsContact OH-C 3.29Å; Y193-G355 PolarHBondContact OH-O 3.2Å; G294-G355 VanDerWaalsContact N-C 3.33Å; G294-G355 PolarHBondContact N-O 2.84Å; S349-G355 CarbonylContact O-C 3.51Å; S349-G355 WeakPolarHBondContact O-CA 3.5Å
356	L	97.6	Very high	95.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	131.4	169.9	-63.7	179.7	0	0	0	109.2	L188 H189 A192 Y193 F271 A291 F347 H348 S349	L188-L356 HydrophobicContact CD2-CD1 4.3Å; H189-L356 WeakPolarHBondContact NE2-CD1 3.28Å; A192-L356 HydrophobicContact CB-CD2 3.9Å; Y193-L356 HydrophobicContact CE2-CD1 4.23Å; Y193-L356 HydrophobicContact CE2-CD2 3.69Å; Y193-L356 HydrophobicContact CE2-CG 3.9Å; F271-L356 HydrophobicContact CD2-CD2 3.94Å; F271-L356 HydrophobicContact CE2-CD2 3.56Å; A291-L356 HydrophobicContact CB-CB 4.49Å; A291-L356 HydrophobicContact CB-CD2 4.47Å; F347-L356 HydrophobicContact CE2-CB 4.29Å; H348-L356 CarbonylContact C-O 3.56Å; H348-L356 WeakPolarHBondContact CA-O 3.16Å; S349-L356 PolarHBondContact N-O 3.25Å; S349-L356 PolarHBondContact O-N 3.4Å
357	L	97.6	Very high	95.7	Very high	5 Å²	5	29.5 Å²	29.5	3%	0.026	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	121.5	162.9	177.7	76	0	0	0	107.5	A291 V292 L305 N309 H348 I452	A291-L357 CarbonylContact C-O 3.41Å; A291-L357 WeakPolarHBondContact CA-O 3.21Å; A291-L357 WeakPolarHBondContact CB-O 3.48Å; V292-L357 HydrophobicContact CG2-CB 4.17Å; V292-L357 HydrophobicContact CG2-CD2 4.37Å; V292-L357 PolarHBondContact N-O 3.19Å; V292-L357 PolarHBondContact O-N 3.32Å; L305-L357 HydrophobicContact CD2-CD2 4.13Å; N309-L357 HydrophobicContact CB-CD1 4.17Å; H348-L357 HydrophobicContact CB-CD1 4.18Å; L357-I452 HydrophobicContact CD2-CD1 3.84Å; L357-I452 HydrophobicContact CD2-CG1 4.09Å
358	G	97.5	Very high	95.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	172.2	-171.4	0	0	0	0	0	115	I290 A346 F347	I290-G358 CarbonylContact O-C 3.51Å; I290-G358 WeakPolarHBondContact O-CA 3.34Å; A346-G358 CarbonylContact C-O 3.55Å; A346-G358 WeakPolarHBondContact CA-O 3.5Å; F347-G358 VanDerWaalsContact CE1-C 3.5Å; F347-G358 PolarHBondContact N-O 2.86Å; F347-G358 PolarHBondContact O-N 3Å
359	I	98.1	Very high	95.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	124.7	168.9	-62.4	168.2	0	0	0	106.9	A289 I290 V312 L331 F344 A346 T375 W379	A289-I359 WeakPolarHBondContact CA-O 3.37Å; I290-I359 PolarHBondContact N-O 3.26Å; I290-I359 PolarHBondContact O-N 3.48Å; V312-I359 HydrophobicContact CG1-CD1 3.8Å; V312-I359 HydrophobicContact CG1-CG1 4.35Å; L331-I359 HydrophobicContact CD2-CD1 4.42Å; F344-I359 HydrophobicContact CB-CG2 4.43Å; A346-I359 HydrophobicContact CB-CG1 4.07Å; I359-T375 HydrophobicContact CB-CG2 3.87Å; I359-T375 HydrophobicContact CD1-CG2 3.6Å; I359-T375 HydrophobicContact CG1-CG2 4.3Å; I359-T375 HydrophobicContact CG2-CG2 3.99Å; I359-W379 HydrophobicContact CD1-CZ2 4.38Å; I359-W379 VanDerWaalsContact CD1-NE1 3.33Å; I359-W379 HydrophobicContact CG1-CZ2 4.27Å
360	Y	98.4	Very high	96	Very high	7 Å²	7	30.3 Å²	30.3	3%	0.027	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	137.6	170.1	163.9	-102	0	0	0	108.5	Q181 C184 H287 I288 A289 F344 Q345 V362	Q181-Y360 WeakPolarHBondContact CA-OH 3.4Å; Q181-Y360 HydrophobicContact CB-CE1 4.23Å; Q181-Y360 HydrophobicContact CB-CE2 4.41Å; Q181-Y360 VanDerWaalsContact CB-OH 3.26Å; Q181-Y360 WeakPolarHBondContact CB-OH 3.13Å; Q181-Y360 HydrophobicContact CG-CD1 4.25Å; Q181-Y360 HydrophobicContact CG-CE1 3.62Å; Q181-Y360 HydrophobicContact CG-CE2 4.15Å; C184-Y360 HydrophobicContact CB-CE2 4.39Å; H287-Y360 HydrophobicContact CB-CE2 4.26Å; H287-Y360 AromaticContact ND1-CZ 3.95Å; H287-Y360 PolarHBondContact ND1-OH 3.37Å; I288-Y360 CarbonylContact O-C 3.52Å; I288-Y360 WeakPolarHBondContact O-CA 3.27Å; I288-Y360 WeakPolarHBondContact O-CD2 3.16Å; A289-Y360 HydrophobicContact CB-CD2 4.24Å; F344-Y360 CarbonylContact C-O 3.57Å; F344-Y360 WeakPolarHBondContact CA-O 3.42Å; F344-Y360 WeakPolarHBondContact CB-O 3.44Å; Q345-Y360 PolarHBondContact N-O 3.16Å; Q345-Y360 PolarHBondContact O-N 3Å; Y360-V362 HydrophobicContact CE1-CG2 3.92Å; Y360-V362 HydrophobicContact CE2-CG2 4.46Å; Y360-V362 WeakPolarHBondContact OH-CG2 3.47Å
361	F	97.8	Very high	96.1	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	153.9	176.8	66.5	-92.9	0	0	0	112.7	I288 S343 F344 M371 M372	I288-F361 HydrophobicContact CB-CD1 4.44Å; I288-F361 HydrophobicContact CB-CD2 4.42Å; I288-F361 HydrophobicContact CB-CE1 4Å; I288-F361 HydrophobicContact CB-CE2 3.99Å; I288-F361 HydrophobicContact CB-CZ 3.77Å; I288-F361 HydrophobicContact CD1-CE2 3.78Å; I288-F361 HydrophobicContact CD1-CZ 3.9Å; I288-F361 HydrophobicContact CG1-CE2 4.37Å; I288-F361 HydrophobicContact CG1-CZ 4.42Å; I288-F361 HydrophobicContact CG2-CE1 3.81Å; I288-F361 HydrophobicContact CG2-CE2 4.45Å; I288-F361 HydrophobicContact CG2-CZ 3.73Å; I288-F361 PolarHBondContact N-O 2.9Å; I288-F361 PolarHBondContact O-N 3.36Å; S343-F361 VanDerWaalsContact O-CA 3.3Å; S343-F361 WeakPolarHBondContact O-CA 3.43Å; S343-F361 WeakPolarHBondContact O-CB 3.45Å; F344-F361 HydrophobicContact CB-CB 3.66Å; F361-M371 HydrophobicContact CB-CE 3.98Å; F361-M371 HydrophobicContact CD1-CE 4.47Å; F361-M371 HydrophobicContact CD1-CG 4.3Å; F361-M371 HydrophobicContact CD2-CB 4.34Å; F361-M371 HydrophobicContact CD2-CG 3.54Å; F361-M371 HydrophobicContact CE1-CG 4.36Å; F361-M371 HydrophobicContact CE2-CB 3.97Å; F361-M371 HydrophobicContact CE2-CG 3.6Å; F361-M371 HydrophobicContact CG-CE 4.16Å; F361-M371 HydrophobicContact CG-CG 3.9Å; F361-M371 HydrophobicContact CZ-CB 4.37Å; F361-M371 HydrophobicContact CZ-CG 4.02Å; F361-M372 HydrophobicContact CE1-CE 4.06Å; F361-M372 HydrophobicContact CZ-CE 4.16Å
362	V	97.8	Very high	96.3	Very high	10 Å²	10	28 Å²	28	6%	0.061	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	123.1	176	-174.2	0	0	0	0	108.6	L285 A286 C341 H342 S343 Y360	L285-V362 HydrophobicContact CB-CG1 3.82Å; L285-V362 HydrophobicContact CD1-CG1 3.82Å; L285-V362 HydrophobicContact CG-CG1 4.38Å; A286-V362 WeakPolarHBondContact O-CA 3.48Å; C341-V362 CarbonylContact C-O 3.46Å; C341-V362 WeakPolarHBondContact CB-O 3.35Å; H342-V362 PolarHBondContact N-O 2.95Å; S343-V362 PolarHBondContact N-O 3.44Å; S343-V362 PolarHBondContact O-N 3Å; Y360-V362 HydrophobicContact CE1-CG2 3.92Å; Y360-V362 HydrophobicContact CE2-CG2 4.46Å; Y360-V362 WeakPolarHBondContact OH-CG2 3.47Å
363	S	96.6	Very high	96.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	159.2	-174.9	-171.2	0	0	0	0	113.1	A286 L340	A286-S363 PolarHBondContact N-O 2.96Å; A286-S363 PolarHBondContact O-N 3.05Å; L340-S363 PolarHBondContact O-OG 3.48Å
364	D	95.6	Very high	96.7	Very high	52 Å²	52	30.3 Å²	30.3	28%	0.278	14%	0.143	S	C	.	.			trans	-65	148.5	166.6	-65.2	-72.6	0	0	0	110.8	H342 H366 H367	H342-D364 IonicContact NE2-OD1 3.55Å; H342-D364 IonicContact NE2-OD2 2.76Å; D364-H366 PolarHBondContact O-N 3.39Å; D364-H367 PolarHBondContact O-N 2.9Å; D364-H367 VanDerWaalsContact O-N 3.11Å; D364-H367 IonicContact OD2-ND1 2.69Å
365	K	93.8	Very high	96.7	Very high	110 Å²	110	30 Å²	30	48%	0.478	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-9.2	175.4	64.4	170.7	176.1	172.1	0	117	P464 Q467	K365-P464 HydrophobicContact CB-CB 3.93Å; K365-P464 HydrophobicContact CB-CG 4.07Å; K365-P464 WeakPolarHBondContact CB-O 3.18Å; K365-Q467 WeakPolarHBondContact O-CG 3.35Å; K365-Q467 PolarHBondContact O-OE1 3.35Å
366	H	93.2	Very high	96.8	Very high	113 Å²	113	30.5 Å²	30.5	52%	0.523	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-1.8	-175.9	-68.7	-36.6	0	0	0	114.9	D364 Q467	D364-H366 PolarHBondContact O-N 3.39Å; H366-Q467 PolarHBondContact O-NE2 2.76Å; H366-Q467 PolarHBondContact O-OE1 3.1Å; H366-Q467 VanDerWaalsContact O-OE1 3.06Å
367	H	95.4	Very high	96.7	Very high	54 Å²	54	31.4 Å²	31.4	25%	0.25	15%	0.149	C	C	.	.	S	Bend	trans	-122.8	9.3	179.1	-53	117.4	0	0	0	113.1	L340 D364 M371	L340-H367 WeakPolarHBondContact O-CB 3.36Å; D364-H367 PolarHBondContact O-N 2.9Å; D364-H367 VanDerWaalsContact O-N 3.11Å; D364-H367 IonicContact OD2-ND1 2.69Å; H367-M371 VanDerWaalsContact O-CB 3.3Å; H367-M371 WeakPolarHBondContact O-CB 3.42Å; H367-M371 PolarHBondContact O-N 2.85Å
368	I	97	Very high	96.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-66.2	-45.8	-172.3	-63.9	172.9	0	0	0	111.8	A286 I288 M371 M372 P464 Q467 L468	A286-I368 HydrophobicContact CB-CD1 3.59Å; A286-I368 HydrophobicContact CB-CG1 4.27Å; I288-I368 HydrophobicContact CD1-CB 4.37Å; I288-I368 HydrophobicContact CD1-CD1 4.15Å; I288-I368 HydrophobicContact CD1-CG1 4.11Å; I288-I368 HydrophobicContact CD1-CG2 3.42Å; I288-I368 VanDerWaalsContact CD1-CG2 3.42Å; I368-M371 PolarHBondContact O-N 3.49Å; I368-M372 WeakPolarHBondContact O-CB 3.39Å; I368-M372 PolarHBondContact O-N 2.83Å; I368-P464 WeakPolarHBondContact CD1-O 3.16Å; I368-Q467 HydrophobicContact CB-CB 3.93Å; I368-Q467 HydrophobicContact CD1-CB 4.49Å; I368-L468 HydrophobicContact CG2-CB 4.19Å; I368-L468 HydrophobicContact CG2-CD1 4.12Å
369	D	97.3	Very high	96.5	Very high	40 Å²	40	32.1 Å²	32.1	21%	0.214	15%	0.154	C	C	.	.	H	α-helix	trans	-63.4	-47.9	-178.8	-169.4	2.6	0	0	0	110.8	M371 M372 H373 P469 R473	D369-M371 PolarHBondContact O-N 3.12Å; D369-M372 PolarHBondContact O-N 2.72Å; D369-H373 WeakPolarHBondContact O-CB 3.42Å; D369-H373 PolarHBondContact O-N 2.95Å; D369-P469 HydrophobicContact CB-CG 4.42Å; D369-P469 WeakPolarHBondContact OD1-CG 3.39Å; D369-R473 VanDerWaalsContact CG-NH1 3.35Å; D369-R473 IonicContact OD1-CZ 2.99Å; D369-R473 IonicContact OD1-NH1 3.91Å; D369-R473 PolarHBondContact OD1-NH1 3.23Å; D369-R473 IonicContact OD1-NH2 3.34Å; D369-R473 PolarHBondContact OD1-NH2 3.22Å; D369-R473 IonicContact OD2-CZ 2.8Å; D369-R473 IonicContact OD2-NH1 2.87Å; D369-R473 PolarHBondContact OD2-NH1 3.18Å; D369-R473 IonicContact OD2-NH2 2.74Å; D369-R473 PolarHBondContact OD2-NH2 3.05Å
370	D	96.9	Very high	96.4	Very high	83 Å²	83	32.2 Å²	32.2	44%	0.444	15%	0.154	S	C	.	.	H	α-helix	trans	-63	-42.5	177.9	-65.8	-45.6	0	0	0	112	L340 H373 W374	L340-D370 HydrophobicContact CD2-CB 3.88Å; D370-H373 PolarHBondContact O-N 3.45Å; D370-W374 PolarHBondContact O-N 3.09Å
371	M	96.8	Very high	96.3	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-65.1	-40.6	176.1	-174.7	54.8	-170.4	0	0	111.9	L331 L340 C341 F344 F361 H367 I368 D369 W374 T375	L331-M371 HydrophobicContact CD1-CE 4.47Å; L331-M371 HydrophobicContact CD2-CE 4.46Å; L340-M371 HydrophobicContact CB-CB 4.2Å; L340-M371 HydrophobicContact CB-CG 4.48Å; L340-M371 HydrophobicContact CB-SD 3.8Å; L340-M371 HydrophobicContact CD1-SD 4.2Å; C341-M371 HydrophobicContact CB-CE 4.34Å; C341-M371 HydrophobicContact CB-CG 4.19Å; C341-M371 HydrophobicContact CB-SD 4.16Å; F344-M371 HydrophobicContact CB-CE 3.82Å; F344-M371 HydrophobicContact CD1-CE 3.68Å; F344-M371 HydrophobicContact CG-CE 3.95Å; F361-M371 HydrophobicContact CB-CE 3.98Å; F361-M371 HydrophobicContact CD1-CE 4.47Å; F361-M371 HydrophobicContact CD1-CG 4.3Å; F361-M371 HydrophobicContact CD2-CB 4.34Å; F361-M371 HydrophobicContact CD2-CG 3.54Å; F361-M371 HydrophobicContact CE1-CG 4.36Å; F361-M371 HydrophobicContact CE2-CB 3.97Å; F361-M371 HydrophobicContact CE2-CG 3.6Å; F361-M371 HydrophobicContact CG-CE 4.16Å; F361-M371 HydrophobicContact CG-CG 3.9Å; F361-M371 HydrophobicContact CZ-CB 4.37Å; F361-M371 HydrophobicContact CZ-CG 4.02Å; H367-M371 VanDerWaalsContact O-CB 3.3Å; H367-M371 WeakPolarHBondContact O-CB 3.42Å; H367-M371 PolarHBondContact O-N 2.85Å; I368-M371 PolarHBondContact O-N 3.49Å; D369-M371 PolarHBondContact O-N 3.12Å; M371-W374 PolarHBondContact O-N 3.38Å; M371-T375 VanDerWaalsContact O-CB 3.24Å; M371-T375 WeakPolarHBondContact O-CB 3.43Å; M371-T375 PolarHBondContact O-N 3.4Å; M371-T375 PolarHBondContact O-OG1 3.3Å
372	M	97.7	Very high	96.1	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-63.1	-45.9	174.1	-175.4	56.9	76.3	0	0	110.9	I288 I290 F361 I368 D369 W374 T375 Q376 L468 P469 M474	I288-M372 HydrophobicContact CG2-CE 3.93Å; I290-M372 HydrophobicContact CB-CE 4.29Å; I290-M372 HydrophobicContact CB-SD 4.5Å; I290-M372 HydrophobicContact CD1-CE 4.34Å; I290-M372 HydrophobicContact CD1-SD 3.78Å; I290-M372 HydrophobicContact CG2-CE 4.36Å; I290-M372 HydrophobicContact CG2-SD 4.22Å; F361-M372 HydrophobicContact CE1-CE 4.06Å; F361-M372 HydrophobicContact CZ-CE 4.16Å; I368-M372 WeakPolarHBondContact O-CB 3.39Å; I368-M372 PolarHBondContact O-N 2.83Å; D369-M372 PolarHBondContact O-N 2.72Å; M372-W374 PolarHBondContact O-N 2.86Å; M372-T375 WeakPolarHBondContact O-CB 3.36Å; M372-T375 PolarHBondContact O-N 3.02Å; M372-Q376 WeakPolarHBondContact O-CG 3.45Å; M372-Q376 PolarHBondContact O-N 3.5Å; M372-Q376 HydrophobicContact SD-CG 4.1Å; M372-L468 HydrophobicContact CE-CD1 4.01Å; M372-P469 HydrophobicContact CB-CG 4.39Å; M372-P469 HydrophobicContact CG-CG 4.32Å; M372-M474 HydrophobicContact CE-SD 3.89Å; M372-M474 HydrophobicContact CG-CG 4.36Å; M372-M474 HydrophobicContact CG-SD 4.42Å; M372-M474 HydrophobicContact SD-SD 4.36Å
373	H	96.9	Very high	96	Very high	87 Å²	87	33.2 Å²	33.2	40%	0.403	16%	0.161	S	C	.	.	H	α-helix	trans	-56.4	-46.8	176.1	-179.5	65.3	0	0	0	112.1	D369 D370 N377	D369-H373 WeakPolarHBondContact O-CB 3.42Å; D369-H373 PolarHBondContact O-N 2.95Å; D370-H373 PolarHBondContact O-N 3.45Å; H373-N377 PolarHBondContact CD2-ND2 3.5Å; H373-N377 VanDerWaalsContact CD2-ND2 3.29Å; H373-N377 PolarHBondContact CE1-ND2 3.48Å; H373-N377 VanDerWaalsContact CE1-ND2 3.35Å; H373-N377 PolarHBondContact NE2-ND2 3.18Å; H373-N377 WeakPolarHBondContact O-CB 3.34Å; H373-N377 VanDerWaalsContact O-CG 3.25Å; H373-N377 PolarHBondContact O-N 2.81Å; H373-N377 PolarHBondContact O-ND2 3.45Å
374	W	96.6	Very high	95.8	Very high	69 Å²	69	34.7 Å²	34.7	26%	0.261	17%	0.17	S	C	.	.	H	α-helix	trans	-70.7	-34	178.6	-74.3	120.6	0	0	0	113.6	L331 L334 L340 D370 M371 M372 N377 A378	L331-W374 HydrophobicContact CD1-CB 3.9Å; L334-W374 HydrophobicContact CD1-CD2 3.83Å; L334-W374 HydrophobicContact CD1-CE3 3.52Å; L334-W374 HydrophobicContact CD1-CG 4.45Å; L334-W374 HydrophobicContact CD1-CH2 4.29Å; L334-W374 HydrophobicContact CD1-CZ3 3.78Å; L340-W374 HydrophobicContact CD1-CB 4.12Å; L340-W374 HydrophobicContact CD1-CG 3.96Å; D370-W374 PolarHBondContact O-N 3.09Å; M371-W374 PolarHBondContact O-N 3.38Å; M372-W374 PolarHBondContact O-N 2.86Å; W374-N377 HydrophobicContact CE3-CB 4.06Å; W374-N377 PolarHBondContact O-N 2.91Å; W374-A378 WeakPolarHBondContact O-CB 3.49Å; W374-A378 PolarHBondContact O-N 2.85Å
375	T	96.8	Very high	95.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-59.3	-50.9	172.3	-64.2	0	0	0	0	110.8	I290 I359 M371 M372 A378 W379	I290-T375 HydrophobicContact CG2-CG2 3.84Å; I359-T375 HydrophobicContact CB-CG2 3.87Å; I359-T375 HydrophobicContact CD1-CG2 3.6Å; I359-T375 HydrophobicContact CG1-CG2 4.3Å; I359-T375 HydrophobicContact CG2-CG2 3.99Å; M371-T375 VanDerWaalsContact O-CB 3.24Å; M371-T375 WeakPolarHBondContact O-CB 3.43Å; M371-T375 PolarHBondContact O-N 3.4Å; M371-T375 PolarHBondContact O-OG1 3.3Å; M372-T375 WeakPolarHBondContact O-CB 3.36Å; M372-T375 PolarHBondContact O-N 3.02Å; T375-A378 WeakPolarHBondContact O-CB 3.5Å; T375-A378 PolarHBondContact O-N 3.47Å; T375-W379 PolarHBondContact O-N 3.02Å
376	Q	97	Very high	95.7	Very high	9 Å²	9	30.9 Å²	30.9	4%	0.042	16%	0.157	C	C	.	.	H	α-helix	trans	-70.3	-35.5	178.9	-61.6	-172.2	-74.5	0	0	112.3	I290 M372 A378 W379 M380 M474 A477 M478	I290-Q376 HydrophobicContact CD1-CG 4.39Å; M372-Q376 WeakPolarHBondContact O-CG 3.45Å; M372-Q376 PolarHBondContact O-N 3.5Å; M372-Q376 HydrophobicContact SD-CG 4.1Å; Q376-A378 VanDerWaalsContact C-N 3.32Å; Q376-A378 PolarHBondContact O-N 2.84Å; Q376-W379 WeakPolarHBondContact O-CB 3.23Å; Q376-W379 PolarHBondContact O-N 3.1Å; Q376-M380 WeakPolarHBondContact O-CG 3.37Å; Q376-M380 PolarHBondContact O-N 3.25Å; Q376-M474 PolarHBondContact NE2-O 3.06Å; Q376-A477 HydrophobicContact CB-CB 4.34Å; Q376-A477 VanDerWaalsContact OE1-CB 3.31Å; Q376-M478 PolarHBondContact NE2-SD 3.17Å; Q376-M478 VanDerWaalsContact NE2-SD 3.41Å
377	N	95.7	Very high	95.7	Very high	20 Å²	20	28.2 Å²	28.2	11%	0.107	15%	0.149	C	C	.	.	H	α-helix	trans	-60.5	-39.5	169.8	-80	-31.1	0	0	0	112	H373 W374 W379 M380 N381 W480	H373-N377 PolarHBondContact CD2-ND2 3.5Å; H373-N377 VanDerWaalsContact CD2-ND2 3.29Å; H373-N377 PolarHBondContact CE1-ND2 3.48Å; H373-N377 VanDerWaalsContact CE1-ND2 3.35Å; H373-N377 PolarHBondContact NE2-ND2 3.18Å; H373-N377 WeakPolarHBondContact O-CB 3.34Å; H373-N377 VanDerWaalsContact O-CG 3.25Å; H373-N377 PolarHBondContact O-N 2.81Å; H373-N377 PolarHBondContact O-ND2 3.45Å; W374-N377 HydrophobicContact CE3-CB 4.06Å; W374-N377 PolarHBondContact O-N 2.91Å; N377-W379 VanDerWaalsContact C-N 3.33Å; N377-W379 PolarHBondContact O-N 3.2Å; N377-M380 PolarHBondContact O-N 3.21Å; N377-N381 VanDerWaalsContact O-CG 3.32Å; N377-N381 PolarHBondContact O-N 3.35Å; N377-N381 PolarHBondContact O-ND2 3.32Å; N377-W480 HydrophobicContact CB-CZ2 4.35Å; N377-W480 WeakPolarHBondContact OD1-CZ2 3.31Å
378	A	95.5	Very high	95.7	Very high	15 Å²	15	31.2 Å²	31.2	12%	0.124	17%	0.167	C	C	.	.	H	α-helix	trans	-60.5	-45	176.8	0	0	0	0	0	111	L331 W374 T375 Q376 N381 L382	L331-A378 HydrophobicContact CB-CB 4.34Å; L331-A378 HydrophobicContact CD2-CB 4.26Å; W374-A378 WeakPolarHBondContact O-CB 3.49Å; W374-A378 PolarHBondContact O-N 2.85Å; T375-A378 WeakPolarHBondContact O-CB 3.5Å; T375-A378 PolarHBondContact O-N 3.47Å; Q376-A378 VanDerWaalsContact C-N 3.32Å; Q376-A378 PolarHBondContact O-N 2.84Å; A378-N381 WeakPolarHBondContact O-CB 3.43Å; A378-N381 PolarHBondContact O-N 3.18Å; A378-L382 PolarHBondContact O-N 3.32Å
379	W	96.6	Very high	95.5	Very high	4 Å²	4	35.1 Å²	35.1	2%	0.015	19%	0.194	C	C	.	.	H	α-helix	trans	-59.4	-43.8	172.3	-84	2.8	0	0	0	114.3	I290 V292 I359 T375 Q376 N377 L382 C383 I452 M478	I290-W379 HydrophobicContact CB-CH2 4.38Å; I290-W379 HydrophobicContact CD1-CH2 4.48Å; I290-W379 HydrophobicContact CD1-CZ3 4.07Å; I290-W379 HydrophobicContact CG1-CH2 3.84Å; I290-W379 HydrophobicContact CG1-CZ3 3.89Å; I290-W379 HydrophobicContact CG2-CH2 4.04Å; I290-W379 HydrophobicContact CG2-CZ3 4.48Å; V292-W379 HydrophobicContact CG1-CH2 4.46Å; V292-W379 HydrophobicContact CG1-CZ3 4.23Å; I359-W379 HydrophobicContact CD1-CZ2 4.38Å; I359-W379 VanDerWaalsContact CD1-NE1 3.33Å; I359-W379 HydrophobicContact CG1-CZ2 4.27Å; T375-W379 PolarHBondContact O-N 3.02Å; Q376-W379 WeakPolarHBondContact O-CB 3.23Å; Q376-W379 PolarHBondContact O-N 3.1Å; N377-W379 VanDerWaalsContact C-N 3.33Å; N377-W379 PolarHBondContact O-N 3.2Å; W379-L382 WeakPolarHBondContact O-CB 3.44Å; W379-L382 PolarHBondContact O-N 3.21Å; W379-C383 PolarHBondContact O-N 3.43Å; W379-C383 PolarHBondContact O-SG 2.84Å; W379-I452 HydrophobicContact CB-CG2 3.81Å; W379-I452 HydrophobicContact CD2-CG2 4.02Å; W379-I452 HydrophobicContact CE3-CG2 3.99Å; W379-I452 HydrophobicContact CG-CD1 4.35Å; W379-I452 HydrophobicContact CG-CG2 3.99Å; W379-M478 HydrophobicContact CE3-CE 3.69Å; W379-M478 HydrophobicContact CE3-SD 3.89Å; W379-M478 HydrophobicContact CZ3-CE 3.72Å; W379-M478 HydrophobicContact CZ3-SD 3.96Å
380	M	95.9	Very high	95.3	Very high	2 Å²	2	35 Å²	35	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-68.9	-34.4	176.2	-67.2	-57.8	104.9	0	0	112.4	Q376 N377 L382 C383 T384 I452 Y453 M478 W480	Q376-M380 WeakPolarHBondContact O-CG 3.37Å; Q376-M380 PolarHBondContact O-N 3.25Å; N377-M380 PolarHBondContact O-N 3.21Å; M380-L382 VanDerWaalsContact C-N 3.29Å; M380-L382 PolarHBondContact O-N 3.4Å; M380-C383 WeakPolarHBondContact O-CB 3.21Å; M380-C383 PolarHBondContact O-N 2.93Å; M380-C383 VanDerWaalsContact O-N 3.11Å; M380-T384 PolarHBondContact O-N 2.96Å; M380-T384 PolarHBondContact O-OG1 2.8Å; M380-T384 VanDerWaalsContact O-OG1 3.12Å; M380-I452 HydrophobicContact CE-CG2 3.81Å; M380-Y453 HydrophobicContact SD-CD2 4.02Å; M380-Y453 HydrophobicContact SD-CE2 4.43Å; M380-M478 VanDerWaalsContact CE-O 3.27Å; M380-M478 WeakPolarHBondContact CE-O 3.38Å; M380-M478 VanDerWaalsContact SD-C 3.53Å; M380-W480 HydrophobicContact CB-CD2 3.51Å; M380-W480 HydrophobicContact CB-CE3 3.62Å; M380-W480 HydrophobicContact CB-CG 4.22Å; M380-W480 HydrophobicContact CB-CH2 3.52Å; M380-W480 HydrophobicContact CB-CZ2 3.4Å; M380-W480 VanDerWaalsContact CB-CZ2 3.4Å; M380-W480 HydrophobicContact CB-CZ3 3.62Å; M380-W480 HydrophobicContact CG-CD2 4.04Å; M380-W480 HydrophobicContact CG-CG 4.25Å; M380-W480 HydrophobicContact CG-CZ2 4.31Å
381	N	94.4	Very high	95.3	Very high	24 Å²	24	31.2 Å²	31.2	13%	0.128	17%	0.174	C	C	.	.	H	α-helix	trans	-61.3	-35.7	170.3	-72	-67.7	0	0	0	111.8	R330 N377 A378 C383 T384 T385 V386	R330-N381 PolarHBondContact NH1-ND2 3.14Å; R330-N381 PolarHBondContact NH1-OD1 3.32Å; N377-N381 VanDerWaalsContact O-CG 3.32Å; N377-N381 PolarHBondContact O-N 3.35Å; N377-N381 PolarHBondContact O-ND2 3.32Å; A378-N381 WeakPolarHBondContact O-CB 3.43Å; A378-N381 PolarHBondContact O-N 3.18Å; N381-C383 VanDerWaalsContact C-N 3.27Å; N381-C383 PolarHBondContact O-N 3.22Å; N381-T384 PolarHBondContact O-N 2.84Å; N381-T385 PolarHBondContact O-N 2.8Å; N381-T385 PolarHBondContact O-OG1 3.03Å; N381-T385 PolarHBondContact OD1-OG1 2.75Å; N381-V386 PolarHBondContact O-N 2.73Å
382	L	95.5	Very high	95.2	Very high	8 Å²	8	34.9 Å²	34.9	4%	0.042	20%	0.196	C	C	.	.	H	α-helix	trans	-63.4	-31.5	174	-67.4	174.6	0	0	0	112.7	A308 I311 V312 A378 W379 M380 V386 R445 C448 I452	A308-L382 HydrophobicContact CB-CD1 4.33Å; I311-L382 HydrophobicContact CB-CD2 3.92Å; I311-L382 HydrophobicContact CD1-CD2 4.07Å; I311-L382 HydrophobicContact CG2-CD2 3.74Å; V312-L382 HydrophobicContact CG2-CD1 3.84Å; A378-L382 PolarHBondContact O-N 3.32Å; W379-L382 WeakPolarHBondContact O-CB 3.44Å; W379-L382 PolarHBondContact O-N 3.21Å; M380-L382 VanDerWaalsContact C-N 3.29Å; M380-L382 PolarHBondContact O-N 3.4Å; L382-V386 HydrophobicContact CB-CG2 4.49Å; L382-V386 HydrophobicContact CD2-CG2 4.31Å; L382-V386 WeakPolarHBondContact O-CG2 3.09Å; L382-R445 WeakPolarHBondContact O-CG 3.21Å; L382-C448 HydrophobicContact CB-CB 4.1Å; L382-I452 HydrophobicContact CD1-CD1 4.34Å
383	C	95.4	Very high	95	Very high	7 Å²	7	38 Å²	38	5%	0.047	21%	0.207	C	C	.	.	H	α-helix	trans	-76.4	-31.3	177.7	-57.1	0	0	0	0	112.1	W379 M380 N381 R445 Y453	W379-C383 PolarHBondContact O-N 3.43Å; W379-C383 PolarHBondContact O-SG 2.84Å; M380-C383 WeakPolarHBondContact O-CB 3.21Å; M380-C383 PolarHBondContact O-N 2.93Å; M380-C383 VanDerWaalsContact O-N 3.11Å; N381-C383 VanDerWaalsContact C-N 3.27Å; N381-C383 PolarHBondContact O-N 3.22Å; C383-R445 WeakPolarHBondContact O-CB 3.49Å; C383-R445 WeakPolarHBondContact O-CG 3.48Å; C383-Y453 HydrophobicContact CB-CD2 4.33Å
384	T	92.6	Very high	94.9	Very high	31 Å²	31	33.8 Å²	33.8	19%	0.19	19%	0.188	C	C	.	.	H	α-helix	trans	-115.9	-46.5	-167.4	61.2	0	0	0	0	115.6	M380 N381 R445 W480 F483	M380-T384 PolarHBondContact O-N 2.96Å; M380-T384 PolarHBondContact O-OG1 2.8Å; M380-T384 VanDerWaalsContact O-OG1 3.12Å; N381-T384 PolarHBondContact O-N 2.84Å; T384-R445 WeakPolarHBondContact O-CD 3.36Å; T384-R445 PolarHBondContact O-NH1 3.31Å; T384-W480 HydrophobicContact CG2-CE3 4.23Å; T384-W480 HydrophobicContact CG2-CZ3 4.44Å; T384-W480 WeakPolarHBondContact OG1-CZ3 3.41Å; T384-F483 HydrophobicContact CG2-CD2 3.86Å; T384-F483 HydrophobicContact CG2-CE2 3.82Å; T384-F483 HydrophobicContact CG2-CG 4.46Å; T384-F483 HydrophobicContact CG2-CZ 4.39Å
385	T	92	Very high	94.9	Very high	65 Å²	65	31.2 Å²	31.2	40%	0.399	18%	0.179	S	C	.	.			trans	-121.4	23.8	-159.4	60.8	0	0	0	0	114	N381 T387	N381-T385 PolarHBondContact O-N 2.8Å; N381-T385 PolarHBondContact O-OG1 3.03Å; N381-T385 PolarHBondContact OD1-OG1 2.75Å; T385-T387 PolarHBondContact O-N 3.29Å
386	V	93.8	Very high	94.8	Very high	16 Å²	16	35.6 Å²	35.6	10%	0.097	20%	0.202	C	C	.	.			trans	-62.2	130.3	176.3	-179.9	0	0	0	0	110.6	I311 N381 L382 V391 P441 V444 R445	I311-V386 HydrophobicContact CD1-CG1 3.98Å; N381-V386 PolarHBondContact O-N 2.73Å; L382-V386 HydrophobicContact CB-CG2 4.49Å; L382-V386 HydrophobicContact CD2-CG2 4.31Å; L382-V386 WeakPolarHBondContact O-CG2 3.09Å; V386-V391 HydrophobicContact CG1-CG2 3.55Å; V386-P441 HydrophobicContact CG1-CB 4.08Å; V386-V444 HydrophobicContact CG1-CB 4.4Å; V386-V444 HydrophobicContact CG1-CG1 4.27Å; V386-V444 HydrophobicContact CG2-CG1 3.99Å; V386-R445 HydrophobicContact CB-CG 4.05Å; V386-R445 HydrophobicContact CG2-CG 3.99Å
387	T	93.8	Very high	94.6	Very high	57 Å²	57	37.6 Å²	37.6	35%	0.35	22%	0.221	S	C	.	.			trans	-101.6	158.3	178.3	71.8	0	0	0	0	112	T385 S389 D390 V391	T385-T387 PolarHBondContact O-N 3.29Å; T387-S389 PolarHBondContact O-N 2.98Å; T387-S389 PolarHBondContact OG1-OG 2.84Å; T387-D390 PolarHBondContact O-N 2.87Å; T387-D390 PolarHBondContact OG1-N 2.88Å; T387-D390 VanDerWaalsContact OG1-N 3.14Å; T387-D390 PolarHBondContact OG1-OD2 3.42Å; T387-V391 PolarHBondContact O-N 3.29Å
388	D	95	Very high	94.5	Very high	117 Å²	117	37.5 Å²	37.5	63%	0.626	22%	0.22	S	C	*	.	H	α-helix	trans	-57.9	-37.1	172.3	-61.7	-82.7	0	0	0	112.4	D390 V391 V392 P441	D388-D390 VanDerWaalsContact C-N 3.34Å; D388-D390 PolarHBondContact O-N 3.44Å; D388-V391 PolarHBondContact O-N 3.5Å; D388-V392 WeakPolarHBondContact O-CB 3.25Å; D388-V392 WeakPolarHBondContact O-CG2 3.46Å; D388-V392 PolarHBondContact O-N 3.5Å; D388-P441 HydrophobicContact CB-CG 4.36Å; D388-P441 WeakPolarHBondContact OD1-CG 3.41Å
389	S	93.6	Very high	94.5	Very high	82 Å²	82	37.8 Å²	37.8	57%	0.573	22%	0.218	S	C	*	.	H	α-helix	trans	-68.9	-30.3	178.4	47.7	0	0	0	0	113.2	T387 R393	T387-S389 PolarHBondContact O-N 2.98Å; T387-S389 PolarHBondContact OG1-OG 2.84Å; S389-R393 VanDerWaalsContact O-CB 3.27Å; S389-R393 WeakPolarHBondContact O-CB 3.23Å; S389-R393 PolarHBondContact O-N 3.08Å
390	D	93	Very high	94.3	Very high	39 Å²	39	40.2 Å²	40.2	21%	0.209	24%	0.239	C	C	.	.	H	α-helix	trans	-69.3	-44	171.6	-66.5	-51.4	0	0	0	111.8	I311 T387 D388 R393 A394	I311-D390 HydrophobicContact CD1-CB 4.42Å; I311-D390 HydrophobicContact CG1-CB 4.43Å; I311-D390 HydrophobicContact CG2-CB 4.24Å; T387-D390 PolarHBondContact O-N 2.87Å; T387-D390 PolarHBondContact OG1-N 2.88Å; T387-D390 VanDerWaalsContact OG1-N 3.14Å; T387-D390 PolarHBondContact OG1-OD2 3.42Å; D388-D390 VanDerWaalsContact C-N 3.34Å; D388-D390 PolarHBondContact O-N 3.44Å; D390-R393 PolarHBondContact O-N 3.45Å; D390-R393 IonicContact OD1-CZ 3.03Å; D390-R393 IonicContact OD1-NH1 2.72Å; D390-R393 PolarHBondContact OD1-NH1 3.06Å; D390-R393 IonicContact OD1-NH2 3.25Å; D390-R393 PolarHBondContact OD1-NH2 3.15Å; D390-A394 WeakPolarHBondContact O-CB 3.4Å; D390-A394 PolarHBondContact O-N 3.06Å
391	V	95.9	Very high	94.1	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.018	26%	0.257	C	S	.	.	H	α-helix	trans	-65.4	-49.2	178.8	175.3	0	0	0	0	111.2	V307 I311 V386 T387 D388 R393 A394 Q395 V439 P441 V444	V307-V391 HydrophobicContact CG1-CG1 4.34Å; I311-V391 HydrophobicContact CD1-CG2 4.24Å; V386-V391 HydrophobicContact CG1-CG2 3.55Å; T387-V391 PolarHBondContact O-N 3.29Å; D388-V391 PolarHBondContact O-N 3.5Å; V391-R393 VanDerWaalsContact C-N 3.27Å; V391-R393 PolarHBondContact O-N 3.37Å; V391-A394 PolarHBondContact O-N 3.01Å; V391-A394 VanDerWaalsContact O-N 3.1Å; V391-Q395 HydrophobicContact CG1-CG 4.11Å; V391-Q395 WeakPolarHBondContact O-CB 3.18Å; V391-Q395 VanDerWaalsContact O-CG 3.27Å; V391-Q395 WeakPolarHBondContact O-CG 3.48Å; V391-Q395 PolarHBondContact O-N 3.27Å; V391-V439 WeakPolarHBondContact CG1-O 3.27Å; V391-P441 HydrophobicContact CB-CG 4.28Å; V391-P441 HydrophobicContact CG2-CB 4.13Å; V391-P441 HydrophobicContact CG2-CG 3.78Å; V391-V444 HydrophobicContact CG2-CG2 4.12Å
392	V	95.8	Very high	94	Very high	77 Å²	77	43 Å²	43	47%	0.467	26%	0.259	S	S	.	.	H	α-helix	trans	-60.6	-37.9	178.7	172.1	0	0	0	0	111.5	D388 N396	D388-V392 WeakPolarHBondContact O-CB 3.25Å; D388-V392 WeakPolarHBondContact O-CG2 3.46Å; D388-V392 PolarHBondContact O-N 3.5Å; V392-N396 PolarHBondContact O-N 3.08Å; V392-N396 PolarHBondContact O-ND2 3.39Å
393	R	93.8	Very high	93.7	Very high	65 Å²	65	45.7 Å²	45.7	25%	0.245	27%	0.272	C	S	.	.	H	α-helix	trans	-62.6	-49.9	172.8	179.6	-177.7	69.2	-110.4	1.9	111.4	S328 S389 D390 V391 N396 A397	S328-R393 PolarHBondContact O-NE 3.02Å; S328-R393 PolarHBondContact O-NH2 3.32Å; S389-R393 VanDerWaalsContact O-CB 3.27Å; S389-R393 WeakPolarHBondContact O-CB 3.23Å; S389-R393 PolarHBondContact O-N 3.08Å; D390-R393 PolarHBondContact O-N 3.45Å; D390-R393 IonicContact OD1-CZ 3.03Å; D390-R393 IonicContact OD1-NH1 2.72Å; D390-R393 PolarHBondContact OD1-NH1 3.06Å; D390-R393 IonicContact OD1-NH2 3.25Å; D390-R393 PolarHBondContact OD1-NH2 3.15Å; V391-R393 VanDerWaalsContact C-N 3.27Å; V391-R393 PolarHBondContact O-N 3.37Å; R393-N396 PolarHBondContact O-N 2.87Å; R393-A397 WeakPolarHBondContact O-CB 3.39Å; R393-A397 PolarHBondContact O-N 3.12Å
394	A	94.9	Very high	93.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-66.3	-38.4	-177.2	0	0	0	0	0	112.8	V307 A310 I311 D390 V391 N396 A397 L398	V307-A394 HydrophobicContact CG1-CB 4.01Å; A310-A394 HydrophobicContact CB-CB 3.95Å; I311-A394 HydrophobicContact CB-CB 4.39Å; I311-A394 HydrophobicContact CD1-CB 4.5Å; I311-A394 HydrophobicContact CG1-CB 3.44Å; I311-A394 VanDerWaalsContact CG1-CB 3.44Å; D390-A394 WeakPolarHBondContact O-CB 3.4Å; D390-A394 PolarHBondContact O-N 3.06Å; V391-A394 PolarHBondContact O-N 3.01Å; V391-A394 VanDerWaalsContact O-N 3.1Å; A394-N396 PolarHBondContact O-N 3.25Å; A394-A397 PolarHBondContact O-N 3.33Å; A394-L398 WeakPolarHBondContact O-CB 3.39Å; A394-L398 PolarHBondContact O-N 2.85Å
395	Q	95.7	Very high	93.4	Very high	14 Å²	14	52.4 Å²	52.4	7%	0.065	31%	0.311	C	S	.	.	H	α-helix	trans	-57.2	-48	172	-73.4	170.8	-37.5	0	0	111.4	V307 V391 L398 K399 I436 D437 V439	V307-Q395 HydrophobicContact CG1-CG 4.47Å; V307-Q395 HydrophobicContact CG2-CG 4.43Å; V391-Q395 HydrophobicContact CG1-CG 4.11Å; V391-Q395 WeakPolarHBondContact O-CB 3.18Å; V391-Q395 VanDerWaalsContact O-CG 3.27Å; V391-Q395 WeakPolarHBondContact O-CG 3.48Å; V391-Q395 PolarHBondContact O-N 3.27Å; Q395-L398 PolarHBondContact O-N 2.79Å; Q395-K399 WeakPolarHBondContact O-CB 3.33Å; Q395-K399 VanDerWaalsContact O-CG 3.27Å; Q395-K399 WeakPolarHBondContact O-CG 3.4Å; Q395-K399 PolarHBondContact O-N 3.33Å; Q395-I436 HydrophobicContact CB-CG2 3.73Å; Q395-I436 HydrophobicContact CG-CG2 3.73Å; Q395-I436 PolarHBondContact NE2-O 3.43Å; Q395-D437 PolarHBondContact NE2-O 2.81Å; Q395-V439 PolarHBondContact NE2-O 2.84Å
396	N	94.5	Very high	93.3	Very high	93 Å²	93	50.7 Å²	50.7	50%	0.497	30%	0.299	S	S	.	.	H	α-helix	trans	-66.2	-42.6	178.1	-73.2	-40.3	0	0	0	112.3	V392 R393 A394 A400	V392-N396 PolarHBondContact O-N 3.08Å; V392-N396 PolarHBondContact O-ND2 3.39Å; R393-N396 PolarHBondContact O-N 2.87Å; A394-N396 PolarHBondContact O-N 3.25Å; N396-A400 WeakPolarHBondContact O-CB 3.19Å; N396-A400 PolarHBondContact O-N 3.26Å
397	A	92.9	Very high	93.1	Very high	51 Å²	51	55.8 Å²	55.8	42%	0.421	33%	0.325	S	S	.	.	H	α-helix	trans	-63.3	-43.1	176.5	0	0	0	0	0	112.1	R393 A394 A400 S401	R393-A397 WeakPolarHBondContact O-CB 3.39Å; R393-A397 PolarHBondContact O-N 3.12Å; A394-A397 PolarHBondContact O-N 3.33Å; A397-A400 PolarHBondContact O-N 3.1Å; A397-S401 WeakPolarHBondContact O-CB 3.5Å; A397-S401 PolarHBondContact O-N 3.44Å
398	L	94.6	Very high	93	Very high	18 Å²	18	54.8 Å²	54.8	9%	0.094	33%	0.327	C	S	.	.	H	α-helix	trans	-65.2	-46	178.3	-177.6	61.2	0	0	0	111.6	M306 V307 A310 A394 Q395 A400 S401 L402 I436	M306-L398 HydrophobicContact CB-CD1 4.29Å; M306-L398 HydrophobicContact CB-CD2 3.77Å; M306-L398 HydrophobicContact CE-CD1 4.1Å; V307-L398 HydrophobicContact CG2-CD2 3.83Å; A310-L398 HydrophobicContact CB-CB 4.28Å; A394-L398 WeakPolarHBondContact O-CB 3.39Å; A394-L398 PolarHBondContact O-N 2.85Å; Q395-L398 PolarHBondContact O-N 2.79Å; L398-A400 PolarHBondContact O-N 3.33Å; L398-S401 WeakPolarHBondContact O-CB 3.49Å; L398-S401 PolarHBondContact O-N 3.29Å; L398-L402 HydrophobicContact CG-CD1 4.36Å; L398-L402 WeakPolarHBondContact O-CG 3.35Å; L398-L402 PolarHBondContact O-N 3.45Å; L398-I436 HydrophobicContact CD2-CD1 3.84Å; L398-I436 HydrophobicContact CD2-CG1 3.96Å; L398-I436 HydrophobicContact CD2-CG2 4.46Å; L398-I436 HydrophobicContact CG-CD1 4Å
399	K	94.3	Very high	92.9	Very high	20 Å²	20	49.5 Å²	49.5	9%	0.087	30%	0.299	C	S	.	.	H	α-helix	trans	-58.4	-47.2	173.7	-74.4	169.3	171.3	-171.5	0	112	Q395 S401 L402 I403 S433 I436 D437	Q395-K399 WeakPolarHBondContact O-CB 3.33Å; Q395-K399 VanDerWaalsContact O-CG 3.27Å; Q395-K399 WeakPolarHBondContact O-CG 3.4Å; Q395-K399 PolarHBondContact O-N 3.33Å; K399-S401 VanDerWaalsContact C-N 3.3Å; K399-S401 PolarHBondContact O-N 3Å; K399-L402 PolarHBondContact O-N 3.07Å; K399-I403 VanDerWaalsContact O-CD1 3.27Å; K399-I403 WeakPolarHBondContact O-CD1 3.45Å; K399-I403 VanDerWaalsContact O-CG1 3.22Å; K399-I403 WeakPolarHBondContact O-CG1 3.5Å; K399-I403 PolarHBondContact O-N 3.37Å; K399-S433 WeakPolarHBondContact CE-OG 3.38Å; K399-S433 PolarHBondContact NZ-OG 3.45Å; K399-S433 VanDerWaalsContact NZ-OG 3.1Å; K399-I436 HydrophobicContact CG-CD1 4.11Å; K399-I436 HydrophobicContact CG-CG2 4.23Å; K399-D437 WeakPolarHBondContact CE-OD1 3.49Å; K399-D437 IonicContact NZ-OD1 3.22Å; K399-D437 PolarHBondContact NZ-OD1 3.45Å; K399-D437 IonicContact NZ-OD2 3.99Å; K399-D437 PolarHBondContact NZ-OD2 2.9Å
400	A	92.4	Very high	93.1	Very high	56 Å²	56	47.1 Å²	47.1	46%	0.463	28%	0.281	S	S	.	.	H	α-helix	trans	-60.4	-41.6	177.5	0	0	0	0	0	111.5	N396 A397 L398 A404	N396-A400 WeakPolarHBondContact O-CB 3.19Å; N396-A400 PolarHBondContact O-N 3.26Å; A397-A400 PolarHBondContact O-N 3.1Å; L398-A400 PolarHBondContact O-N 3.33Å; A400-A404 WeakPolarHBondContact O-CB 3.42Å; A400-A404 PolarHBondContact O-N 3.18Å
401	S	91.8	Very high	93.2	Very high	55 Å²	55	47.8 Å²	47.8	39%	0.385	29%	0.287	S	S	.	.	H	α-helix	trans	-62.9	-47.8	176.1	-175.7	0	0	0	0	112.5	A397 L398 K399 I403 A404 Q405	A397-S401 WeakPolarHBondContact O-CB 3.5Å; A397-S401 PolarHBondContact O-N 3.44Å; L398-S401 WeakPolarHBondContact O-CB 3.49Å; L398-S401 PolarHBondContact O-N 3.29Å; K399-S401 VanDerWaalsContact C-N 3.3Å; K399-S401 PolarHBondContact O-N 3Å; S401-I403 PolarHBondContact O-N 3.12Å; S401-A404 PolarHBondContact O-N 3.18Å; S401-Q405 WeakPolarHBondContact O-CG 3.24Å; S401-Q405 PolarHBondContact O-N 2.87Å
402	L	91.8	Very high	93.2	Very high	30 Å²	30	48.5 Å²	48.5	16%	0.157	29%	0.291	C	S	.	.	H	α-helix	trans	-60.3	-42.9	178	-70.8	172.2	0	0	0	112.3	M306 L398 K399 L406 I436	M306-L402 HydrophobicContact CE-CD2 4.36Å; L398-L402 HydrophobicContact CG-CD1 4.36Å; L398-L402 WeakPolarHBondContact O-CG 3.35Å; L398-L402 PolarHBondContact O-N 3.45Å; K399-L402 PolarHBondContact O-N 3.07Å; L402-L406 WeakPolarHBondContact O-CG 3.44Å; L402-L406 PolarHBondContact O-N 3.42Å; L402-I436 HydrophobicContact CD1-CD1 3.67Å
403	I	90.6	Very high	93.2	Very high	64 Å²	64	44.8 Å²	44.8	33%	0.328	27%	0.268	S	S	.	.	H	α-helix	trans	-67.1	-42.9	175.9	-57.3	153.9	0	0	0	110.3	Y39 K399 S401 Q405 L406	Y39-I403 HydrophobicContact CD2-CD1 4.47Å; Y39-I403 HydrophobicContact CE2-CD1 3.45Å; Y39-I403 VanDerWaalsContact CE2-CD1 3.45Å; Y39-I403 HydrophobicContact CE2-CG1 4.38Å; K399-I403 VanDerWaalsContact O-CD1 3.27Å; K399-I403 WeakPolarHBondContact O-CD1 3.45Å; K399-I403 VanDerWaalsContact O-CG1 3.22Å; K399-I403 WeakPolarHBondContact O-CG1 3.5Å; K399-I403 PolarHBondContact O-N 3.37Å; S401-I403 PolarHBondContact O-N 3.12Å; I403-Q405 VanDerWaalsContact C-N 3.26Å; I403-Q405 PolarHBondContact O-N 3.32Å; I403-L406 PolarHBondContact O-N 3.11Å; I403-L406 VanDerWaalsContact O-N 3.12Å
404	A	90.6	Very high	93.4	Very high	58 Å²	58	43.5 Å²	43.5	48%	0.479	27%	0.266	S	S	.	.	H	α-helix	trans	-64.2	-31.5	-178.3	0	0	0	0	0	112.8	A400 S401 N407	A400-A404 WeakPolarHBondContact O-CB 3.42Å; A400-A404 PolarHBondContact O-N 3.18Å; S401-A404 PolarHBondContact O-N 3.18Å; A404-N407 WeakPolarHBondContact CA-ND2 3.37Å; A404-N407 PolarHBondContact O-ND2 3.41Å
405	Q	90	Very high	93.4	Very high	120 Å²	120	45.2 Å²	45.2	56%	0.561	28%	0.275	S	S	*	.	H	α-helix	trans	-67.6	-32.3	173.9	-75.4	171	-8.9	0	0	112.5	S401 I403 N407 P411	S401-Q405 WeakPolarHBondContact O-CG 3.24Å; S401-Q405 PolarHBondContact O-N 2.87Å; I403-Q405 VanDerWaalsContact C-N 3.26Å; I403-Q405 PolarHBondContact O-N 3.32Å; Q405-N407 PolarHBondContact O-N 3.28Å; Q405-N407 VanDerWaalsContact O-N 3.15Å; Q405-P411 WeakPolarHBondContact O-CB 3.3Å
406	L	90.5	Very high	93.5	Very high	29 Å²	29	44.5 Å²	44.5	15%	0.152	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	19.4	-178.8	-64.3	174.5	0	0	0	114.3	L402 I403 G408 I412 D415 L429	L402-L406 WeakPolarHBondContact O-CG 3.44Å; L402-L406 PolarHBondContact O-N 3.42Å; I403-L406 PolarHBondContact O-N 3.11Å; I403-L406 VanDerWaalsContact O-N 3.12Å; L406-G408 PolarHBondContact O-N 3.3Å; L406-I412 HydrophobicContact CB-CG1 4.25Å; L406-I412 HydrophobicContact CD2-CG1 4.39Å; L406-I412 WeakPolarHBondContact O-CD1 3.39Å; L406-I412 WeakPolarHBondContact O-CG1 3.15Å; L406-D415 HydrophobicContact CD2-CB 3.61Å; L406-L429 HydrophobicContact CD1-CD1 3.87Å; L406-L429 HydrophobicContact CD1-CD2 3.75Å; L406-L429 HydrophobicContact CD1-CG 4.1Å
407	N	88.8	Confident	93.6	Very high	123 Å²	123	40.1 Å²	40.1	66%	0.658	25%	0.248	S	C	*	.			trans	-78.8	90.9	179.2	-79.9	-50	0	0	0	112.2	A404 Q405	A404-N407 WeakPolarHBondContact CA-ND2 3.37Å; A404-N407 PolarHBondContact O-ND2 3.41Å; Q405-N407 PolarHBondContact O-N 3.28Å; Q405-N407 VanDerWaalsContact O-N 3.15Å
408	G	91.8	Very high	93.7	Very high	36 Å²	36	42.4 Å²	42.4	37%	0.371	25%	0.246	S	C	.	.	S	Bend	trans	118.7	169.6	168	0	0	0	0	0	114	L406 T410 P411 I412	L406-G408 PolarHBondContact O-N 3.3Å; G408-T410 PolarHBondContact O-N 3.06Å; G408-P411 WeakPolarHBondContact O-CD 3.4Å; G408-I412 WeakPolarHBondContact O-CD1 3.41Å; G408-I412 VanDerWaalsContact O-CG1 3.24Å; G408-I412 WeakPolarHBondContact O-CG1 3.02Å; G408-I412 PolarHBondContact O-N 3.14Å
409	T	94.5	Very high	93.7	Very high	7 Å²	7	42.4 Å²	42.4	4%	0.043	25%	0.246	C	C	.	.	H	α-helix	trans	-62.1	-38.1	-173.1	61.3	0	0	0	0	113.5	T71 C413	T71-T409 WeakPolarHBondContact OG1-CB 3.13Å; T71-T409 PolarHBondContact OG1-OG1 3.42Å; T409-C413 WeakPolarHBondContact O-CB 3.37Å; T409-C413 PolarHBondContact O-N 3Å
410	T	96.1	Very high	93.8	Very high	32 Å²	32	41.4 Å²	41.4	20%	0.196	24%	0.241	C	C	.	.	H	α-helix	trans	-69.6	-51.6	-178	-54.4	0	0	0	0	112.3	T71 Y133 G408 I412 C413 D414	T71-T410 HydrophobicContact CG2-CG2 4.27Å; T71-T410 PolarHBondContact OG1-N 3.02Å; T71-T410 PolarHBondContact OG1-OG1 3.18Å; Y133-T410 HydrophobicContact CD2-CG2 4.15Å; Y133-T410 HydrophobicContact CE2-CG2 3.71Å; G408-T410 PolarHBondContact O-N 3.06Å; T410-I412 VanDerWaalsContact C-N 3.34Å; T410-I412 PolarHBondContact O-N 3.43Å; T410-C413 PolarHBondContact O-N 3.39Å; T410-D414 PolarHBondContact O-N 3.16Å
411	P	95.9	Very high	93.9	Very high	53 Å²	53	39.5 Å²	39.5	34%	0.344	22%	0.223	S	C	.	.	H	α-helix	trans	-62.3	-36	176.3	-24.7	35.2	0	0	0	114.2	Q405 G408 D414 D415	Q405-P411 WeakPolarHBondContact O-CB 3.3Å; G408-P411 WeakPolarHBondContact O-CD 3.4Å; P411-D414 PolarHBondContact O-N 3.48Å; P411-D415 VanDerWaalsContact O-CB 3.31Å; P411-D415 WeakPolarHBondContact O-CB 3.35Å; P411-D415 PolarHBondContact O-N 2.94Å
412	I	95.6	Very high	93.9	Very high	17 Å²	17	40.1 Å²	40.1	9%	0.087	22%	0.222	C	C	.	.	H	α-helix	trans	-64	-44	174.5	-64.9	168	0	0	0	110.5	A235 L406 G408 T410 D415 I416	A235-I412 HydrophobicContact CB-CB 3.96Å; A235-I412 HydrophobicContact CB-CG2 3.58Å; L406-I412 HydrophobicContact CB-CG1 4.25Å; L406-I412 HydrophobicContact CD2-CG1 4.39Å; L406-I412 WeakPolarHBondContact O-CD1 3.39Å; L406-I412 WeakPolarHBondContact O-CG1 3.15Å; G408-I412 WeakPolarHBondContact O-CD1 3.41Å; G408-I412 VanDerWaalsContact O-CG1 3.24Å; G408-I412 WeakPolarHBondContact O-CG1 3.02Å; G408-I412 PolarHBondContact O-N 3.14Å; T410-I412 VanDerWaalsContact C-N 3.34Å; T410-I412 PolarHBondContact O-N 3.43Å; I412-D415 PolarHBondContact O-N 3.19Å; I412-I416 HydrophobicContact CG2-CD1 3.85Å; I412-I416 HydrophobicContact CG2-CG1 4.49Å; I412-I416 WeakPolarHBondContact O-CD1 3.21Å; I412-I416 WeakPolarHBondContact O-CG1 3.47Å; I412-I416 PolarHBondContact O-N 3.12Å
413	C	97	Very high	93.9	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-63.8	-41.2	178.5	-165.9	0	0	0	0	112.1	T71 W75 A233 A235 T409 T410 I416 G417	T71-C413 HydrophobicContact CG2-CB 4.07Å; T71-C413 PolarHBondContact O-SG 3.44Å; W75-C413 HydrophobicContact CH2-CB 4.23Å; W75-C413 VanDerWaalsContact CH2-SG 3.51Å; A233-C413 VanDerWaalsContact C-SG 3.53Å; A233-C413 PolarHBondContact O-SG 3Å; A233-C413 VanDerWaalsContact O-SG 3.33Å; A235-C413 HydrophobicContact CB-CB 3.97Å; T409-C413 WeakPolarHBondContact O-CB 3.37Å; T409-C413 PolarHBondContact O-N 3Å; T410-C413 PolarHBondContact O-N 3.39Å; C413-I416 PolarHBondContact O-N 3.5Å; C413-G417 PolarHBondContact O-N 3.15Å
414	D	96.9	Very high	93.9	Very high	38 Å²	38	41 Å²	41	20%	0.203	23%	0.233	C	C	.	.	H	α-helix	trans	-65.9	-42.8	176.2	-172.3	67	0	0	0	113	W75 Y124 T410 P411 I416 G417 R418	W75-D414 VanDerWaalsContact CZ2-CA 3.44Å; W75-D414 HydrophobicContact CZ2-CB 3.92Å; W75-D414 PolarHBondContact NE1-OD1 2.83Å; Y124-D414 WeakPolarHBondContact CE1-OD1 3.3Å; Y124-D414 PolarHBondContact OH-OD1 3.43Å; T410-D414 PolarHBondContact O-N 3.16Å; P411-D414 PolarHBondContact O-N 3.48Å; D414-I416 PolarHBondContact O-N 2.92Å; D414-G417 PolarHBondContact O-N 3.25Å; D414-R418 WeakPolarHBondContact O-CB 3.48Å; D414-R418 WeakPolarHBondContact O-CG 3.31Å; D414-R418 PolarHBondContact O-N 3.05Å; D414-R418 WeakPolarHBondContact OD2-CD 3.32Å
415	D	95.9	Very high	94.1	Very high	35 Å²	35	43.1 Å²	43.1	19%	0.187	23%	0.229	C	C	.	.	H	α-helix	trans	-60.8	-42.5	173.2	179.5	59.3	0	0	0	112	L406 P411 I412 Q419 R426	L406-D415 HydrophobicContact CD2-CB 3.61Å; P411-D415 VanDerWaalsContact O-CB 3.31Å; P411-D415 WeakPolarHBondContact O-CB 3.35Å; P411-D415 PolarHBondContact O-N 2.94Å; I412-D415 PolarHBondContact O-N 3.19Å; D415-Q419 VanDerWaalsContact CG-NE2 3.31Å; D415-Q419 VanDerWaalsContact O-CB 3.25Å; D415-Q419 WeakPolarHBondContact O-CB 3.21Å; D415-Q419 VanDerWaalsContact O-CG 3.3Å; D415-Q419 WeakPolarHBondContact O-CG 3.26Å; D415-Q419 PolarHBondContact O-N 3.31Å; D415-Q419 PolarHBondContact OD1-NE2 2.92Å; D415-Q419 PolarHBondContact OD2-NE2 2.73Å; D415-R426 IonicContact OD2-CZ 3.74Å; D415-R426 VanDerWaalsContact OD2-CZ 3.27Å; D415-R426 IonicContact OD2-NE 2.68Å; D415-R426 PolarHBondContact OD2-NE 2.9Å; D415-R426 IonicContact OD2-NH2 2.76Å; D415-R426 PolarHBondContact OD2-NH2 2.89Å
416	I	96.8	Very high	94.3	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-60.5	-52.1	172.6	-67.2	163	0	0	0	110.7	T49 A61 E63 A233 A235 I412 C413 D414 R418 Q419 V420 R426	T49-I416 HydrophobicContact CG2-CD1 4.22Å; T49-I416 HydrophobicContact CG2-CG1 4Å; T49-I416 HydrophobicContact CG2-CG2 4.08Å; A61-I416 HydrophobicContact CB-CG2 3.4Å; E63-I416 HydrophobicContact CB-CD1 3.72Å; A233-I416 HydrophobicContact CB-CB 4.22Å; A233-I416 HydrophobicContact CB-CG2 3.77Å; A235-I416 HydrophobicContact CB-CD1 4.2Å; I412-I416 HydrophobicContact CG2-CD1 3.85Å; I412-I416 HydrophobicContact CG2-CG1 4.49Å; I412-I416 WeakPolarHBondContact O-CD1 3.21Å; I412-I416 WeakPolarHBondContact O-CG1 3.47Å; I412-I416 PolarHBondContact O-N 3.12Å; C413-I416 PolarHBondContact O-N 3.5Å; D414-I416 PolarHBondContact O-N 2.92Å; I416-R418 PolarHBondContact O-N 2.91Å; I416-Q419 PolarHBondContact O-N 3.35Å; I416-V420 HydrophobicContact CG2-CG2 4.22Å; I416-V420 VanDerWaalsContact O-CB 3.26Å; I416-V420 WeakPolarHBondContact O-CB 3.48Å; I416-V420 VanDerWaalsContact O-CG2 3.24Å; I416-V420 WeakPolarHBondContact O-CG2 3.44Å; I416-V420 PolarHBondContact O-N 3.49Å; I416-R426 VanDerWaalsContact CG1-CD 3.48Å
417	G	96.8	Very high	94.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-56.9	-52	-178.9	0	0	0	0	0	112.5	C413 D414 L421	C413-G417 PolarHBondContact O-N 3.15Å; D414-G417 PolarHBondContact O-N 3.25Å; G417-L421 WeakPolarHBondContact O-CB 3.35Å; G417-L421 WeakPolarHBondContact O-CG 3.44Å; G417-L421 PolarHBondContact O-N 3.43Å
418	R	95.4	Very high	94.4	Very high	100 Å²	100	35 Å²	35	38%	0.377	19%	0.19	S	C	.	.	H	α-helix	trans	-64.5	-46.4	179.4	-71.9	164.7	51.2	94.7	-2.2	113	H129 D414 I416 L421 N422	H129-R418 PolarHBondContact CE1-NH1 2.88Å; H129-R418 PolarHBondContact NE2-NH1 3.29Å; H129-R418 VanDerWaalsContact NE2-NH1 3.1Å; D414-R418 WeakPolarHBondContact O-CB 3.48Å; D414-R418 WeakPolarHBondContact O-CG 3.31Å; D414-R418 PolarHBondContact O-N 3.05Å; D414-R418 WeakPolarHBondContact OD2-CD 3.32Å; I416-R418 PolarHBondContact O-N 2.91Å; R418-L421 PolarHBondContact O-N 3.23Å; R418-N422 WeakPolarHBondContact O-CB 3.41Å; R418-N422 PolarHBondContact O-N 3.25Å; R418-N422 PolarHBondContact O-ND2 2.86Å
419	Q	95.3	Very high	94.3	Very high	17 Å²	17	35.3 Å²	35.3	8%	0.079	18%	0.183	C	C	.	.	H	α-helix	trans	-68.6	-41.7	-179.6	-71.3	-164.6	42.8	0	0	111.9	D415 I416 L421 N422 Y423 R425 R426	D415-Q419 VanDerWaalsContact CG-NE2 3.31Å; D415-Q419 VanDerWaalsContact O-CB 3.25Å; D415-Q419 WeakPolarHBondContact O-CB 3.21Å; D415-Q419 VanDerWaalsContact O-CG 3.3Å; D415-Q419 WeakPolarHBondContact O-CG 3.26Å; D415-Q419 PolarHBondContact O-N 3.31Å; D415-Q419 PolarHBondContact OD1-NE2 2.92Å; D415-Q419 PolarHBondContact OD2-NE2 2.73Å; I416-Q419 PolarHBondContact O-N 3.35Å; Q419-L421 VanDerWaalsContact C-N 3.32Å; Q419-L421 PolarHBondContact O-N 3.2Å; Q419-N422 PolarHBondContact O-N 2.86Å; Q419-Y423 HydrophobicContact CB-CD2 4.11Å; Q419-Y423 HydrophobicContact CG-CD2 4.34Å; Q419-Y423 HydrophobicContact CG-CE2 4.3Å; Q419-Y423 WeakPolarHBondContact O-CB 3.5Å; Q419-Y423 PolarHBondContact O-N 2.92Å; Q419-R425 CarbonylContact C-O 3.59Å; Q419-R425 VanDerWaalsContact O-O 3.14Å; Q419-R426 HydrophobicContact CB-CG 4.47Å
420	V	96.4	Very high	94.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-68.7	-31.7	177.8	175.6	0	0	0	0	111.4	V51 R59 A61 V231 I416 G424	V51-V420 HydrophobicContact CG1-CG1 4.47Å; V51-V420 HydrophobicContact CG2-CG2 4.31Å; R59-V420 HydrophobicContact CB-CG1 4.22Å; R59-V420 PolarHBondContact NH1-O 3.29Å; A61-V420 HydrophobicContact CB-CG2 3.99Å; V231-V420 HydrophobicContact CG1-CB 4.09Å; V231-V420 HydrophobicContact CG1-CG1 3.86Å; V231-V420 HydrophobicContact CG2-CB 4.33Å; V231-V420 HydrophobicContact CG2-CG1 3.86Å; I416-V420 HydrophobicContact CG2-CG2 4.22Å; I416-V420 VanDerWaalsContact O-CB 3.26Å; I416-V420 WeakPolarHBondContact O-CB 3.48Å; I416-V420 VanDerWaalsContact O-CG2 3.24Å; I416-V420 WeakPolarHBondContact O-CG2 3.44Å; I416-V420 PolarHBondContact O-N 3.49Å; V420-G424 WeakPolarHBondContact O-CA 3.45Å; V420-G424 PolarHBondContact O-N 3.29Å; V420-G424 VanDerWaalsContact O-N 3.13Å
421	L	93.6	Very high	93.9	Very high	16 Å²	16	38.5 Å²	38.5	8%	0.084	20%	0.204	C	C	.	.	H	α-helix	trans	-59.4	-55.4	168.4	-87.1	-177.2	0	0	0	111.4	R59 W75 H129 R229 V231 G417 R418 Q419	R59-L421 PolarHBondContact NH1-O 2.88Å; R59-L421 VanDerWaalsContact NH1-O 3.1Å; W75-L421 HydrophobicContact CB-CD1 3.71Å; W75-L421 HydrophobicContact CB-CG 4.2Å; H129-L421 HydrophobicContact CB-CD1 3.98Å; R229-L421 WeakPolarHBondContact O-CD2 3.29Å; V231-L421 HydrophobicContact CB-CG 4.48Å; V231-L421 HydrophobicContact CG2-CD2 3.67Å; V231-L421 HydrophobicContact CG2-CG 3.81Å; G417-L421 WeakPolarHBondContact O-CB 3.35Å; G417-L421 WeakPolarHBondContact O-CG 3.44Å; G417-L421 PolarHBondContact O-N 3.43Å; R418-L421 PolarHBondContact O-N 3.23Å; Q419-L421 VanDerWaalsContact C-N 3.32Å; Q419-L421 PolarHBondContact O-N 3.2Å
422	N	91.6	Very high	93.8	Very high	67 Å²	67	36.9 Å²	36.9	36%	0.358	19%	0.191	S	C	.	.	H	α-helix	trans	-77.5	-40	-169.1	-69.1	-16.5	0	0	0	114.5	V297 R418 Q419	V297-N422 HydrophobicContact CG1-CB 3.9Å; R418-N422 WeakPolarHBondContact O-CB 3.41Å; R418-N422 PolarHBondContact O-N 3.25Å; R418-N422 PolarHBondContact O-ND2 2.86Å; Q419-N422 PolarHBondContact O-N 2.86Å
423	Y	91.4	Very high	93.7	Very high	70 Å²	70	36.7 Å²	36.7	28%	0.275	19%	0.191	S	C	.	.	H	α-helix	trans	-109.3	-7.7	-174.4	-56.9	-67.2	0	0	0	113.8	V297 Q419 R425 I427	V297-Y423 HydrophobicContact CG1-CD1 4.42Å; V297-Y423 HydrophobicContact CG1-CE1 3.63Å; V297-Y423 HydrophobicContact CG1-CE2 4.07Å; V297-Y423 VanDerWaalsContact CG1-CZ 3.42Å; V297-Y423 WeakPolarHBondContact CG1-OH 3.48Å; V297-Y423 VanDerWaalsContact O-CE1 3.29Å; V297-Y423 WeakPolarHBondContact O-CE1 3.4Å; V297-Y423 PolarHBondContact O-OH 3.26Å; Q419-Y423 HydrophobicContact CB-CD2 4.11Å; Q419-Y423 HydrophobicContact CG-CD2 4.34Å; Q419-Y423 HydrophobicContact CG-CE2 4.3Å; Q419-Y423 WeakPolarHBondContact O-CB 3.5Å; Q419-Y423 PolarHBondContact O-N 2.92Å; Y423-R425 PolarHBondContact O-N 3.35Å; Y423-R425 VanDerWaalsContact O-N 3.15Å; Y423-I427 HydrophobicContact CD1-CD1 4.48Å; Y423-I427 HydrophobicContact CD2-CD1 3.95Å; Y423-I427 HydrophobicContact CD2-CG1 4.29Å; Y423-I427 HydrophobicContact CE1-CD1 4.2Å; Y423-I427 HydrophobicContact CE2-CD1 3.66Å; Y423-I427 HydrophobicContact CE2-CG1 4.4Å; Y423-I427 HydrophobicContact CG-CD1 4.34Å
424	G	91.6	Very high	93.5	Very high	42 Å²	42	39.5 Å²	39.5	43%	0.433	22%	0.215	S	C	.	.	S	Bend	trans	71.7	-5.5	-169.2	0	0	0	0	0	114.6	V420	V420-G424 WeakPolarHBondContact O-CA 3.45Å; V420-G424 PolarHBondContact O-N 3.29Å; V420-G424 VanDerWaalsContact O-N 3.13Å
425	R	93.6	Very high	93.5	Very high	104 Å²	104	42 Å²	42	39%	0.392	22%	0.221	S	C	.	.	S	Bend	trans	-146.2	164.3	177.8	70.1	175	-176.2	107.6	-6.7	110.5	Q419 Y423 E431	Q419-R425 CarbonylContact C-O 3.59Å; Q419-R425 VanDerWaalsContact O-O 3.14Å; Y423-R425 PolarHBondContact O-N 3.35Å; Y423-R425 VanDerWaalsContact O-N 3.15Å; R425-E431 IonicContact CZ-OE1 2.73Å; R425-E431 IonicContact CZ-OE2 2.8Å; R425-E431 IonicContact NH1-OE2 3.2Å; R425-E431 PolarHBondContact NH1-OE2 2.84Å; R425-E431 VanDerWaalsContact NH2-CD 3.34Å; R425-E431 IonicContact NH2-OE1 2.75Å; R425-E431 PolarHBondContact NH2-OE1 2.93Å; R425-E431 IonicContact NH2-OE2 3.2Å; R425-E431 PolarHBondContact NH2-OE2 3.47Å
426	R	94.2	Very high	93.5	Very high	32 Å²	32	40.4 Å²	40.4	12%	0.121	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-88	136.8	162.5	-171.9	155.7	175.8	-115.2	17.2	110.7	T49 E63 D415 I416 Q419	T49-R426 HydrophobicContact CG2-CB 4.12Å; T49-R426 PolarHBondContact OG1-NH1 3.33Å; E63-R426 IonicContact OE2-CZ 3.52Å; E63-R426 IonicContact OE2-NH1 3.23Å; E63-R426 PolarHBondContact OE2-NH1 3.44Å; E63-R426 IonicContact OE2-NH2 3.22Å; D415-R426 IonicContact OD2-CZ 3.74Å; D415-R426 VanDerWaalsContact OD2-CZ 3.27Å; D415-R426 IonicContact OD2-NE 2.68Å; D415-R426 PolarHBondContact OD2-NE 2.9Å; D415-R426 IonicContact OD2-NH2 2.76Å; D415-R426 PolarHBondContact OD2-NH2 2.89Å; I416-R426 VanDerWaalsContact CG1-CD 3.48Å; Q419-R426 HydrophobicContact CB-CG 4.47Å
427	I	92.2	Very high	93.5	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.021	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-85.6	116.5	172.8	-61	175.2	0	0	0	107	Y423 E431 W432	Y423-I427 HydrophobicContact CD1-CD1 4.48Å; Y423-I427 HydrophobicContact CD2-CD1 3.95Å; Y423-I427 HydrophobicContact CD2-CG1 4.29Å; Y423-I427 HydrophobicContact CE1-CD1 4.2Å; Y423-I427 HydrophobicContact CE2-CD1 3.66Å; Y423-I427 HydrophobicContact CE2-CG1 4.4Å; Y423-I427 HydrophobicContact CG-CD1 4.34Å; I427-E431 HydrophobicContact CG2-CB 3.92Å; I427-E431 HydrophobicContact CG2-CG 3.98Å; I427-W432 HydrophobicContact CD1-CZ2 3.96Å; I427-W432 HydrophobicContact CG2-CD2 4.18Å; I427-W432 HydrophobicContact CG2-CG 3.98Å
428	P	90.4	Very high	93.5	Very high	65 Å²	65	47.3 Å²	47.3	42%	0.422	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-67.4	151	-177.9	27.8	-34.2	0	0	0	111	A430 E431 W432	P428-A430 PolarHBondContact O-N 2.95Å; P428-A430 VanDerWaalsContact O-N 3.12Å; P428-E431 HydrophobicContact CG-CB 3.85Å; P428-E431 WeakPolarHBondContact O-CA 3.14Å; P428-E431 WeakPolarHBondContact O-CB 3.42Å; P428-E431 PolarHBondContact O-N 3.02Å; P428-W432 PolarHBondContact O-N 3.27Å
429	L	90	Very high	93.6	Very high	42 Å²	42	42.9 Å²	42.9	22%	0.22	24%	0.242	C	C	.	.	H	α-helix	trans	-58.5	-28.3	-178.8	-73	176.2	0	0	0	113.7	L43 L406 W432 S433	L43-L429 HydrophobicContact CD2-CB 3.63Å; L43-L429 HydrophobicContact CD2-CD1 4.15Å; L406-L429 HydrophobicContact CD1-CD1 3.87Å; L406-L429 HydrophobicContact CD1-CD2 3.75Å; L406-L429 HydrophobicContact CD1-CG 4.1Å; L429-W432 PolarHBondContact O-N 2.69Å; L429-S433 WeakPolarHBondContact O-CB 3.39Å; L429-S433 PolarHBondContact O-N 2.92Å
430	A	90.6	Very high	93.7	Very high	51 Å²	51	44.9 Å²	44.9	42%	0.421	26%	0.255	S	S	.	.	H	α-helix	trans	-64.2	-40.5	171.9	0	0	0	0	0	112.5	L43 P428 S433 A434	L43-A430 HydrophobicContact CB-CB 4.43Å; P428-A430 PolarHBondContact O-N 2.95Å; P428-A430 VanDerWaalsContact O-N 3.12Å; A430-S433 PolarHBondContact O-N 2.89Å; A430-A434 WeakPolarHBondContact O-CB 3.38Å; A430-A434 PolarHBondContact O-N 3.23Å
431	E	91.9	Very high	93.7	Very high	55 Å²	55	45.8 Å²	45.8	26%	0.257	26%	0.261	S	S	.	.	H	α-helix	trans	-69.6	-41.6	175.6	-172.8	-176.4	163.4	0	0	110.7	R425 I427 P428 A434 R435	R425-E431 IonicContact CZ-OE1 2.73Å; R425-E431 IonicContact CZ-OE2 2.8Å; R425-E431 IonicContact NH1-OE2 3.2Å; R425-E431 PolarHBondContact NH1-OE2 2.84Å; R425-E431 VanDerWaalsContact NH2-CD 3.34Å; R425-E431 IonicContact NH2-OE1 2.75Å; R425-E431 PolarHBondContact NH2-OE1 2.93Å; R425-E431 IonicContact NH2-OE2 3.2Å; R425-E431 PolarHBondContact NH2-OE2 3.47Å; I427-E431 HydrophobicContact CG2-CB 3.92Å; I427-E431 HydrophobicContact CG2-CG 3.98Å; P428-E431 HydrophobicContact CG-CB 3.85Å; P428-E431 WeakPolarHBondContact O-CA 3.14Å; P428-E431 WeakPolarHBondContact O-CB 3.42Å; P428-E431 PolarHBondContact O-N 3.02Å; E431-A434 PolarHBondContact O-N 3.39Å; E431-R435 HydrophobicContact CG-CG 4.44Å; E431-R435 WeakPolarHBondContact O-CB 3.34Å; E431-R435 VanDerWaalsContact O-CG 3.23Å; E431-R435 WeakPolarHBondContact O-CG 3.45Å; E431-R435 PolarHBondContact O-N 3.46Å; E431-R435 IonicContact OE1-CZ 3.29Å; E431-R435 VanDerWaalsContact OE1-CZ 3.25Å; E431-R435 IonicContact OE1-NE 2.6Å; E431-R435 PolarHBondContact OE1-NE 3.43Å; E431-R435 IonicContact OE1-NH2 2.7Å; E431-R435 PolarHBondContact OE1-NH2 3.35Å
432	W	92.4	Very high	93.9	Very high	20 Å²	20	53 Å²	53	8%	0.076	29%	0.287	C	S	.	.	H	α-helix	trans	-58	-48.8	171.6	-83.2	115.5	0	0	0	112.2	V303 M306 I427 P428 L429 A434 R435 I436	V303-W432 HydrophobicContact CG2-CZ3 4.03Å; M306-W432 HydrophobicContact CE-CZ3 4.31Å; M306-W432 HydrophobicContact SD-CH2 4.45Å; M306-W432 HydrophobicContact SD-CZ3 4.16Å; I427-W432 HydrophobicContact CD1-CZ2 3.96Å; I427-W432 HydrophobicContact CG2-CD2 4.18Å; I427-W432 HydrophobicContact CG2-CG 3.98Å; P428-W432 PolarHBondContact O-N 3.27Å; L429-W432 PolarHBondContact O-N 2.69Å; W432-A434 PolarHBondContact O-N 2.91Å; W432-R435 PolarHBondContact O-N 3.06Å; W432-I436 WeakPolarHBondContact O-CB 3.37Å; W432-I436 WeakPolarHBondContact O-CD1 3.21Å; W432-I436 WeakPolarHBondContact O-CG1 3.41Å; W432-I436 PolarHBondContact O-N 2.9Å
433	S	93.3	Very high	94.1	Very high	13 Å²	13	53.5 Å²	53.5	9%	0.091	29%	0.288	C	S	.	.	H	α-helix	trans	-57.7	-48.5	177.4	-177.6	0	0	0	0	111.3	K399 L429 A430 I436 D437	K399-S433 WeakPolarHBondContact CE-OG 3.38Å; K399-S433 PolarHBondContact NZ-OG 3.45Å; K399-S433 VanDerWaalsContact NZ-OG 3.1Å; L429-S433 WeakPolarHBondContact O-CB 3.39Å; L429-S433 PolarHBondContact O-N 2.92Å; A430-S433 PolarHBondContact O-N 2.89Å; S433-I436 PolarHBondContact O-N 3.22Å; S433-D437 WeakPolarHBondContact O-CB 3.15Å; S433-D437 VanDerWaalsContact O-CG 3.3Å; S433-D437 PolarHBondContact O-N 3.11Å; S433-D437 PolarHBondContact OG-OD2 2.95Å
434	A	94.4	Very high	94.4	Very high	59 Å²	59	50.1 Å²	50.1	49%	0.488	28%	0.275	S	S	.	.	H	α-helix	trans	-64	-41.3	-179.4	0	0	0	0	0	112.8	A430 E431 W432 I436 D437 A438	A430-A434 WeakPolarHBondContact O-CB 3.38Å; A430-A434 PolarHBondContact O-N 3.23Å; E431-A434 PolarHBondContact O-N 3.39Å; W432-A434 PolarHBondContact O-N 2.91Å; A434-I436 VanDerWaalsContact C-N 3.34Å; A434-I436 PolarHBondContact O-N 2.67Å; A434-D437 PolarHBondContact O-N 3.03Å; A434-A438 WeakPolarHBondContact O-CB 3.27Å; A434-A438 PolarHBondContact O-N 2.82Å
435	R	95.6	Very high	94.6	Very high	91 Å²	91	52.6 Å²	52.6	34%	0.343	27%	0.271	S	S	.	.	H	α-helix	trans	-61.7	-41	174.1	-73.8	170	174.8	-126.8	3.8	111.8	V303 E431 W432	V303-R435 HydrophobicContact CG1-CB 4.23Å; V303-R435 HydrophobicContact CG2-CB 4.29Å; E431-R435 HydrophobicContact CG-CG 4.44Å; E431-R435 WeakPolarHBondContact O-CB 3.34Å; E431-R435 VanDerWaalsContact O-CG 3.23Å; E431-R435 WeakPolarHBondContact O-CG 3.45Å; E431-R435 PolarHBondContact O-N 3.46Å; E431-R435 IonicContact OE1-CZ 3.29Å; E431-R435 VanDerWaalsContact OE1-CZ 3.25Å; E431-R435 IonicContact OE1-NE 2.6Å; E431-R435 PolarHBondContact OE1-NE 3.43Å; E431-R435 IonicContact OE1-NH2 2.7Å; E431-R435 PolarHBondContact OE1-NH2 3.35Å; W432-R435 PolarHBondContact O-N 3.06Å
436	I	96.4	Very high	94.8	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-67.9	-46	177.9	-69.4	165.4	0	0	0	110.6	V303 V307 Q395 L398 K399 L402 W432 S433 A434 A438 V439	V303-I436 HydrophobicContact CG1-CG1 3.85Å; V307-I436 HydrophobicContact CG2-CG2 4.29Å; Q395-I436 HydrophobicContact CB-CG2 3.73Å; Q395-I436 HydrophobicContact CG-CG2 3.73Å; Q395-I436 PolarHBondContact NE2-O 3.43Å; L398-I436 HydrophobicContact CD2-CD1 3.84Å; L398-I436 HydrophobicContact CD2-CG1 3.96Å; L398-I436 HydrophobicContact CD2-CG2 4.46Å; L398-I436 HydrophobicContact CG-CD1 4Å; K399-I436 HydrophobicContact CG-CD1 4.11Å; K399-I436 HydrophobicContact CG-CG2 4.23Å; L402-I436 HydrophobicContact CD1-CD1 3.67Å; W432-I436 WeakPolarHBondContact O-CB 3.37Å; W432-I436 WeakPolarHBondContact O-CD1 3.21Å; W432-I436 WeakPolarHBondContact O-CG1 3.41Å; W432-I436 PolarHBondContact O-N 2.9Å; S433-I436 PolarHBondContact O-N 3.22Å; A434-I436 VanDerWaalsContact C-N 3.34Å; A434-I436 PolarHBondContact O-N 2.67Å; I436-A438 VanDerWaalsContact C-N 3.26Å; I436-A438 PolarHBondContact O-N 3.39Å; I436-V439 WeakPolarHBondContact O-CB 3.27Å; I436-V439 WeakPolarHBondContact O-CG2 3.22Å; I436-V439 PolarHBondContact O-N 2.6Å; I436-V439 VanDerWaalsContact O-N 3.15Å
437	D	96.4	Very high	94.9	Very high	84 Å²	84	51.2 Å²	51.2	45%	0.449	27%	0.274	S	S	.	.	H	α-helix	trans	-61.9	-31.2	178.4	-73.7	-41.4	0	0	0	113.2	Q395 K399 S433 A434 V439	Q395-D437 PolarHBondContact NE2-O 2.81Å; K399-D437 WeakPolarHBondContact CE-OD1 3.49Å; K399-D437 IonicContact NZ-OD1 3.22Å; K399-D437 PolarHBondContact NZ-OD1 3.45Å; K399-D437 IonicContact NZ-OD2 3.99Å; K399-D437 PolarHBondContact NZ-OD2 2.9Å; S433-D437 WeakPolarHBondContact O-CB 3.15Å; S433-D437 VanDerWaalsContact O-CG 3.3Å; S433-D437 PolarHBondContact O-N 3.11Å; S433-D437 PolarHBondContact OG-OD2 2.95Å; A434-D437 PolarHBondContact O-N 3.03Å; D437-V439 PolarHBondContact O-N 2.97Å
438	A	96.8	Very high	95.1	Very high	61 Å²	61	51 Å²	51	50%	0.504	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-12.9	177.4	0	0	0	0	0	114.2	A434 I436 T440	A434-A438 WeakPolarHBondContact O-CB 3.27Å; A434-A438 PolarHBondContact O-N 2.82Å; I436-A438 VanDerWaalsContact C-N 3.26Å; I436-A438 PolarHBondContact O-N 3.39Å; A438-T440 PolarHBondContact O-N 2.7Å
439	V	97.6	Very high	95.4	Very high	6 Å²	6	50.2 Å²	50.2	4%	0.036	27%	0.269	C	S	.	.			trans	-71.2	124.4	179.8	179.5	0	0	0	0	110.7	V303 P304 V307 V391 Q395 I436 D437 V444	V303-V439 HydrophobicContact CG1-CG2 4.03Å; P304-V439 HydrophobicContact CG-CG2 4.37Å; V307-V439 HydrophobicContact CB-CG1 4.21Å; V307-V439 HydrophobicContact CG1-CG1 4.1Å; V307-V439 HydrophobicContact CG2-CB 4.31Å; V307-V439 HydrophobicContact CG2-CG1 4.32Å; V307-V439 HydrophobicContact CG2-CG2 4.09Å; V391-V439 WeakPolarHBondContact CG1-O 3.27Å; Q395-V439 PolarHBondContact NE2-O 2.84Å; I436-V439 WeakPolarHBondContact O-CB 3.27Å; I436-V439 WeakPolarHBondContact O-CG2 3.22Å; I436-V439 PolarHBondContact O-N 2.6Å; I436-V439 VanDerWaalsContact O-N 3.15Å; D437-V439 PolarHBondContact O-N 2.97Å; V439-V444 HydrophobicContact CG1-CG2 3.55Å
440	T	97.2	Very high	95.7	Very high	60 Å²	60	53.2 Å²	53.2	37%	0.368	28%	0.28	S	S	.	.			trans	-106.1	157.9	176.4	64.3	0	0	0	0	111.9	A438 R442 M443 V444	A438-T440 PolarHBondContact O-N 2.7Å; T440-R442 PolarHBondContact O-N 3.24Å; T440-R442 VanDerWaalsContact O-N 3.12Å; T440-M443 HydrophobicContact CG2-SD 4.3Å; T440-M443 WeakPolarHBondContact O-CB 3.36Å; T440-M443 PolarHBondContact O-N 3.43Å; T440-M443 WeakPolarHBondContact OG1-CG 3.45Å; T440-M443 PolarHBondContact OG1-N 3.48Å; T440-V444 PolarHBondContact O-N 3.19Å
441	P	96.8	Very high	96	Very high	18 Å²	18	52.2 Å²	52.2	12%	0.117	27%	0.266	C	S	.	.	H	α-helix	trans	-58	-25.5	173.7	-25.2	33.7	0	0	0	114.1	V386 D388 V391 R445	V386-P441 HydrophobicContact CG1-CB 4.08Å; D388-P441 HydrophobicContact CB-CG 4.36Å; D388-P441 WeakPolarHBondContact OD1-CG 3.41Å; V391-P441 HydrophobicContact CB-CG 4.28Å; V391-P441 HydrophobicContact CG2-CB 4.13Å; V391-P441 HydrophobicContact CG2-CG 3.78Å; P441-R445 WeakPolarHBondContact O-CG 3.34Å; P441-R445 PolarHBondContact O-N 3.47Å; P441-R445 PolarHBondContact O-NE 2.81Å
442	R	96.9	Very high	96.3	Very high	169 Å²	169	49.6 Å²	49.6	64%	0.638	25%	0.253	S	S	*	.	H	α-helix	trans	-68.5	-49.6	171.6	-178.5	176.1	177.3	172.1	3.2	111.1	T440 V444 R445 D446	T440-R442 PolarHBondContact O-N 3.24Å; T440-R442 VanDerWaalsContact O-N 3.12Å; R442-V444 VanDerWaalsContact C-N 3.3Å; R442-V444 PolarHBondContact O-N 2.93Å; R442-R445 PolarHBondContact O-N 3.21Å; R442-R445 VanDerWaalsContact O-N 3.16Å; R442-D446 WeakPolarHBondContact CG-OD2 3.43Å; R442-D446 IonicContact NE-OD2 2.73Å; R442-D446 PolarHBondContact NE-OD2 3.18Å; R442-D446 WeakPolarHBondContact O-CB 3.42Å; R442-D446 VanDerWaalsContact O-CG 3.23Å; R442-D446 PolarHBondContact O-N 3.35Å
443	M	96.9	Very high	96.5	Very high	76 Å²	76	52.4 Å²	52.4	37%	0.374	26%	0.264	S	S	.	.	H	α-helix	trans	-58.7	-41.8	176.9	-68.7	163	68.2	0	0	111.8	P304 T440 R445 D446 I447	P304-M443 HydrophobicContact CG-CE 4.3Å; T440-M443 HydrophobicContact CG2-SD 4.3Å; T440-M443 WeakPolarHBondContact O-CB 3.36Å; T440-M443 PolarHBondContact O-N 3.43Å; T440-M443 WeakPolarHBondContact OG1-CG 3.45Å; T440-M443 PolarHBondContact OG1-N 3.48Å; M443-R445 PolarHBondContact O-N 2.92Å; M443-D446 PolarHBondContact O-N 3.2Å; M443-I447 VanDerWaalsContact O-CB 3.31Å; M443-I447 WeakPolarHBondContact O-CB 3.47Å; M443-I447 VanDerWaalsContact O-CG1 3.26Å; M443-I447 WeakPolarHBondContact O-CG1 3.4Å; M443-I447 PolarHBondContact O-N 3.45Å
444	V	97.1	Very high	96.6	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-59.3	-47.5	175.7	178.3	0	0	0	0	111	V307 A308 I311 V386 V391 V439 T440 R442 C448	V307-V444 HydrophobicContact CG1-CG2 4.3Å; A308-V444 HydrophobicContact CB-CG1 4.09Å; I311-V444 HydrophobicContact CD1-CG1 4.16Å; V386-V444 HydrophobicContact CG1-CB 4.4Å; V386-V444 HydrophobicContact CG1-CG1 4.27Å; V386-V444 HydrophobicContact CG2-CG1 3.99Å; V391-V444 HydrophobicContact CG2-CG2 4.12Å; V439-V444 HydrophobicContact CG1-CG2 3.55Å; T440-V444 PolarHBondContact O-N 3.19Å; R442-V444 VanDerWaalsContact C-N 3.3Å; R442-V444 PolarHBondContact O-N 2.93Å; V444-C448 VanDerWaalsContact O-CB 3.23Å; V444-C448 WeakPolarHBondContact O-CB 3.44Å; V444-C448 PolarHBondContact O-N 3.1Å; V444-C448 PolarHBondContact O-SG 3.33Å
445	R	96.6	Very high	96.7	Very high	93 Å²	93	57 Å²	57	35%	0.351	28%	0.276	S	S	.	.	H	α-helix	trans	-65.7	-43.8	178.8	-73.6	-176.3	-62.5	159.4	3.6	113.2	L382 C383 T384 V386 P441 R442 M443 C448 S449	L382-R445 WeakPolarHBondContact O-CG 3.21Å; C383-R445 WeakPolarHBondContact O-CB 3.49Å; C383-R445 WeakPolarHBondContact O-CG 3.48Å; T384-R445 WeakPolarHBondContact O-CD 3.36Å; T384-R445 PolarHBondContact O-NH1 3.31Å; V386-R445 HydrophobicContact CB-CG 4.05Å; V386-R445 HydrophobicContact CG2-CG 3.99Å; P441-R445 WeakPolarHBondContact O-CG 3.34Å; P441-R445 PolarHBondContact O-N 3.47Å; P441-R445 PolarHBondContact O-NE 2.81Å; R442-R445 PolarHBondContact O-N 3.21Å; R442-R445 VanDerWaalsContact O-N 3.16Å; M443-R445 PolarHBondContact O-N 2.92Å; R445-C448 PolarHBondContact O-N 3.49Å; R445-S449 VanDerWaalsContact O-CB 3.25Å; R445-S449 WeakPolarHBondContact O-CB 3.49Å; R445-S449 PolarHBondContact O-N 3.31Å; R445-S449 PolarHBondContact O-OG 3.49Å
446	D	96.6	Very high	96.8	Very high	83 Å²	83	55.7 Å²	55.7	44%	0.444	28%	0.28	S	S	.	.	H	α-helix	trans	-64.2	-42.5	-179.5	-66.2	-11.7	0	0	0	110.3	R442 M443 K450	R442-D446 WeakPolarHBondContact CG-OD2 3.43Å; R442-D446 IonicContact NE-OD2 2.73Å; R442-D446 PolarHBondContact NE-OD2 3.18Å; R442-D446 WeakPolarHBondContact O-CB 3.42Å; R442-D446 VanDerWaalsContact O-CG 3.23Å; R442-D446 PolarHBondContact O-N 3.35Å; M443-D446 PolarHBondContact O-N 3.2Å; D446-K450 PolarHBondContact O-N 3.21Å; D446-K450 VanDerWaalsContact O-N 3.07Å
447	I	97	Very high	96.9	Very high	24 Å²	24	55.6 Å²	55.6	12%	0.123	28%	0.279	C	S	.	.	H	α-helix	trans	-72.5	-43	176.5	-65	-54.2	0	0	0	112.3	D301 P304 L305 M443 S449 K450 Y451	D301-I447 HydrophobicContact CB-CD1 4.1Å; D301-I447 HydrophobicContact CB-CG2 4.32Å; D301-I447 WeakPolarHBondContact OD1-CD1 3.45Å; P304-I447 HydrophobicContact CB-CB 4.15Å; P304-I447 HydrophobicContact CB-CG1 3.92Å; P304-I447 HydrophobicContact CB-CG2 4.16Å; P304-I447 HydrophobicContact CG-CG1 4.23Å; L305-I447 HydrophobicContact CD2-CG2 3.59Å; L305-I447 HydrophobicContact CG-CG2 3.78Å; M443-I447 VanDerWaalsContact O-CB 3.31Å; M443-I447 WeakPolarHBondContact O-CB 3.47Å; M443-I447 VanDerWaalsContact O-CG1 3.26Å; M443-I447 WeakPolarHBondContact O-CG1 3.4Å; M443-I447 PolarHBondContact O-N 3.45Å; I447-S449 VanDerWaalsContact C-N 3.27Å; I447-S449 PolarHBondContact O-N 2.94Å; I447-K450 WeakPolarHBondContact O-CB 3.23Å; I447-K450 PolarHBondContact O-N 2.76Å; I447-Y451 HydrophobicContact CG2-CD2 3.76Å; I447-Y451 HydrophobicContact CG2-CE2 4.1Å; I447-Y451 WeakPolarHBondContact O-CD2 3.41Å; I447-Y451 PolarHBondContact O-N 3.23Å
448	C	96.7	Very high	97	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.2	-36.5	175	-67.5	0	0	0	0	111.2	L382 V444 R445 K450 Y451 I452 Y453	L382-C448 HydrophobicContact CB-CB 4.1Å; V444-C448 VanDerWaalsContact O-CB 3.23Å; V444-C448 WeakPolarHBondContact O-CB 3.44Å; V444-C448 PolarHBondContact O-N 3.1Å; V444-C448 PolarHBondContact O-SG 3.33Å; R445-C448 PolarHBondContact O-N 3.49Å; C448-K450 VanDerWaalsContact C-N 3.31Å; C448-K450 PolarHBondContact O-N 3.35Å; C448-Y451 PolarHBondContact O-N 3.37Å; C448-I452 HydrophobicContact CB-CD1 4.02Å; C448-I452 WeakPolarHBondContact O-CA 3.21Å; C448-I452 WeakPolarHBondContact O-CB 3.4Å; C448-I452 PolarHBondContact O-N 3.4Å; C448-Y453 PolarHBondContact O-N 2.97Å
449	S	96.2	Very high	97.1	Very high	49 Å²	49	48.7 Å²	48.7	34%	0.343	23%	0.234	S	C	.	.	H	α-helix	trans	-65.6	-33.4	172.7	-57	0	0	0	0	112.5	R445 I447 Y453	R445-S449 VanDerWaalsContact O-CB 3.25Å; R445-S449 WeakPolarHBondContact O-CB 3.49Å; R445-S449 PolarHBondContact O-N 3.31Å; R445-S449 PolarHBondContact O-OG 3.49Å; I447-S449 VanDerWaalsContact C-N 3.27Å; I447-S449 PolarHBondContact O-N 2.94Å; S449-Y453 WeakPolarHBondContact O-CB 3.44Å
450	K	96.6	Very high	97.1	Very high	105 Å²	105	48.4 Å²	48.4	46%	0.457	23%	0.232	S	C	.	.	H	α-helix	trans	-68	-41.7	174.1	175.2	-176.5	167.4	-171.1	0	113	D301 D446 I447 C448 K455	D301-K450 IonicContact OD2-NZ 3.29Å; D301-K450 PolarHBondContact OD2-NZ 2.94Å; D446-K450 PolarHBondContact O-N 3.21Å; D446-K450 VanDerWaalsContact O-N 3.07Å; I447-K450 WeakPolarHBondContact O-CB 3.23Å; I447-K450 PolarHBondContact O-N 2.76Å; C448-K450 VanDerWaalsContact C-N 3.31Å; C448-K450 PolarHBondContact O-N 3.35Å; K450-K455 WeakPolarHBondContact O-CE 3.33Å; K450-K455 PolarHBondContact O-NZ 3.37Å
451	Y	96.9	Very high	97.2	Very high	29 Å²	29	45.6 Å²	45.6	11%	0.114	22%	0.215	C	C	.	.	H	α-helix	trans	-103.4	-20.8	-169.3	-76.1	-80.2	0	0	0	115.4	V292 E293 G294 A295 D301 L305 I447 C448 K455	V292-Y451 WeakPolarHBondContact CG2-O 3.33Å; E293-Y451 VanDerWaalsContact O-CD1 3.3Å; E293-Y451 WeakPolarHBondContact O-CD1 3.24Å; G294-Y451 WeakPolarHBondContact O-CE1 3.31Å; A295-Y451 HydrophobicContact CB-CE1 4.41Å; D301-Y451 HydrophobicContact CB-CE2 3.88Å; D301-Y451 WeakPolarHBondContact OD2-CE2 3.42Å; D301-Y451 PolarHBondContact OD2-OH 2.93Å; L305-Y451 HydrophobicContact CD1-CD2 4.17Å; L305-Y451 HydrophobicContact CD1-CE2 4.2Å; L305-Y451 HydrophobicContact CD1-CG 4.41Å; L305-Y451 HydrophobicContact CD2-CD2 4.13Å; L305-Y451 HydrophobicContact CD2-CG 4.37Å; I447-Y451 HydrophobicContact CG2-CD2 3.76Å; I447-Y451 HydrophobicContact CG2-CE2 4.1Å; I447-Y451 WeakPolarHBondContact O-CD2 3.41Å; I447-Y451 PolarHBondContact O-N 3.23Å; C448-Y451 PolarHBondContact O-N 3.37Å; Y451-K455 VanDerWaalsContact O-CG 3.3Å; Y451-K455 WeakPolarHBondContact O-CG 3.3Å
452	I	97.1	Very high	97.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.3	-47.3	-173.7	-51	178.3	0	0	0	111.3	V292 L357 W379 M380 L382 C448 D454 K455 M478	V292-I452 HydrophobicContact CG2-CG1 4.18Å; L357-I452 HydrophobicContact CD2-CD1 3.84Å; L357-I452 HydrophobicContact CD2-CG1 4.09Å; W379-I452 HydrophobicContact CB-CG2 3.81Å; W379-I452 HydrophobicContact CD2-CG2 4.02Å; W379-I452 HydrophobicContact CE3-CG2 3.99Å; W379-I452 HydrophobicContact CG-CD1 4.35Å; W379-I452 HydrophobicContact CG-CG2 3.99Å; M380-I452 HydrophobicContact CE-CG2 3.81Å; L382-I452 HydrophobicContact CD1-CD1 4.34Å; C448-I452 HydrophobicContact CB-CD1 4.02Å; C448-I452 WeakPolarHBondContact O-CA 3.21Å; C448-I452 WeakPolarHBondContact O-CB 3.4Å; C448-I452 PolarHBondContact O-N 3.4Å; I452-D454 PolarHBondContact O-N 3.46Å; I452-K455 PolarHBondContact O-N 2.63Å; I452-M478 HydrophobicContact CG2-CE 3.9Å; I452-M478 WeakPolarHBondContact O-CE 3.41Å
453	Y	96.8	Very high	97.2	Very high	79 Å²	79	37.1 Å²	37.1	31%	0.31	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	128.1	-173.2	-168	-85.2	0	0	0	112.2	M380 C383 C448 S449 K455	M380-Y453 HydrophobicContact SD-CD2 4.02Å; M380-Y453 HydrophobicContact SD-CE2 4.43Å; C383-Y453 HydrophobicContact CB-CD2 4.33Å; C448-Y453 PolarHBondContact O-N 2.97Å; S449-Y453 WeakPolarHBondContact O-CB 3.44Å; Y453-K455 PolarHBondContact O-N 2.92Å
454	D	96.5	Very high	97.2	Very high	81 Å²	81	33.9 Å²	33.9	43%	0.433	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	34	-175.1	-163.8	33.8	0	0	0	114.3	I452 R475 M478	I452-D454 PolarHBondContact O-N 3.46Å; D454-R475 PolarHBondContact O-NH2 2.93Å; D454-R475 IonicContact OD1-CZ 3.39Å; D454-R475 IonicContact OD1-NH1 2.67Å; D454-R475 PolarHBondContact OD1-NH1 3.39Å; D454-R475 IonicContact OD1-NH2 3.24Å; D454-R475 PolarHBondContact OD1-NH2 3.24Å; D454-R475 IonicContact OD2-NH2 2.92Å; D454-M478 PolarHBondContact N-O 2.8Å
455	K	97.1	Very high	97.2	Very high	89 Å²	89	34.5 Å²	34.5	39%	0.387	17%	0.169	S	C	.	.	P	Polyproline II helix	trans	-94.4	154.1	173	-58.6	-44.6	-177.4	-173.7	0	112.2	V292 K450 Y451 I452 Y453 P457 R475	V292-K455 HydrophobicContact CG1-CB 4.23Å; K450-K455 WeakPolarHBondContact O-CE 3.33Å; K450-K455 PolarHBondContact O-NZ 3.37Å; Y451-K455 VanDerWaalsContact O-CG 3.3Å; Y451-K455 WeakPolarHBondContact O-CG 3.3Å; I452-K455 PolarHBondContact O-N 2.63Å; Y453-K455 PolarHBondContact O-N 2.92Å; K455-P457 WeakPolarHBondContact O-CD 3.27Å; K455-R475 WeakPolarHBondContact O-CD 3.17Å; K455-R475 PolarHBondContact O-NE 3.3Å
456	C	97.4	Very high	97.1	Very high	62 Å²	62	36.7 Å²	36.7	42%	0.419	18%	0.184	S	C	.	.	P	Polyproline II helix	trans	-81.6	117	171.6	-57.1	0	0	0	0	108.9	F271 R475	F271-C456 WeakPolarHBondContact CE1-O 3.49Å; C456-R475 PolarHBondContact SG-NE 3.31Å
457	P	98	Very high	97	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-77.7	155.9	177.4	32.3	-33	0	0	0	110.8	G273 S274 I290 A291 V292 K455 Y471 M478	G273-P457 CarbonylContact C-O 3.58Å; G273-P457 VanDerWaalsContact CA-O 3.24Å; G273-P457 WeakPolarHBondContact CA-O 3.23Å; S274-P457 PolarHBondContact N-O 2.9Å; I290-P457 HydrophobicContact CD1-CB 4Å; I290-P457 HydrophobicContact CD1-CG 4.32Å; I290-P457 HydrophobicContact CG1-CB 3.88Å; A291-P457 CarbonylContact O-C 3.58Å; A291-P457 WeakPolarHBondContact O-CA 3.33Å; A291-P457 WeakPolarHBondContact O-CB 3.38Å; V292-P457 HydrophobicContact CG1-CB 4.5Å; K455-P457 WeakPolarHBondContact O-CD 3.27Å; P457-Y471 HydrophobicContact CG-CE2 4.39Å; P457-Y471 VanDerWaalsContact O-CE2 3.31Å; P457-Y471 WeakPolarHBondContact O-CE2 3.43Å; P457-Y471 PolarHBondContact O-OH 3.46Å; P457-M478 HydrophobicContact CG-CG 4.25Å; P457-M478 HydrophobicContact CG-SD 4.41Å
458	A	98.4	Very high	97	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	138.2	158.7	0	0	0	0	0	108.8	L188 T191 A192 F271 S274 I290 A291	L188-A458 HydrophobicContact CD1-CB 3.91Å; L188-A458 WeakPolarHBondContact CD1-O 3.43Å; T191-A458 HydrophobicContact CG2-CB 4.25Å; A192-A458 HydrophobicContact CB-CB 3.69Å; F271-A458 HydrophobicContact CE2-CB 4.1Å; F271-A458 HydrophobicContact CZ-CB 3.66Å; S274-A458 CarbonylContact O-C 3.57Å; S274-A458 VanDerWaalsContact O-CA 3.26Å; S274-A458 WeakPolarHBondContact O-CA 3.28Å; I290-A458 WeakPolarHBondContact CA-O 3.34Å; A291-A458 PolarHBondContact N-O 3.46Å; A291-A458 PolarHBondContact O-N 2.87Å
459	V	98.4	Very high	97	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	131.7	-178.1	-174.5	0	0	0	0	110.3	S274 E275 I276 A289 I290 M474	S274-V459 PolarHBondContact O-N 3.45Å; E275-V459 CarbonylContact C-O 3.51Å; E275-V459 VanDerWaalsContact CA-O 3.23Å; E275-V459 WeakPolarHBondContact CA-O 3.5Å; E275-V459 HydrophobicContact CB-CB 4.05Å; I276-V459 PolarHBondContact N-O 2.87Å; A289-V459 CarbonylContact O-C 3.58Å; A289-V459 WeakPolarHBondContact O-CA 3.45Å; I290-V459 HydrophobicContact CB-CG2 4.43Å; I290-V459 HydrophobicContact CD1-CG2 4.17Å; I290-V459 HydrophobicContact CG1-CG2 4Å; V459-M474 HydrophobicContact CB-CE 4.19Å; V459-M474 HydrophobicContact CG1-CE 4.04Å; V459-M474 HydrophobicContact CG1-SD 4.13Å; V459-M474 HydrophobicContact CG2-CE 3.82Å; V459-M474 HydrophobicContact CG2-SD 3.94Å
460	A	98.4	Very high	97	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	139.7	168	0	0	0	0	0	109.8	C184 L187 L188 I276 I288 A289	C184-A460 VanDerWaalsContact O-CB 3.28Å; C184-A460 WeakPolarHBondContact O-CB 3.42Å; L187-A460 HydrophobicContact CB-CB 4.03Å; L188-A460 HydrophobicContact CB-CB 3.81Å; L188-A460 HydrophobicContact CD1-CB 4.36Å; I276-A460 HydrophobicContact CG2-CB 3.91Å; I276-A460 WeakPolarHBondContact O-CA 3.38Å; I288-A460 WeakPolarHBondContact CA-O 3.44Å; A289-A460 PolarHBondContact N-O 3.3Å; A289-A460 PolarHBondContact O-N 2.62Å
461	A	98	Very high	97	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	134.2	-177.4	0	0	0	0	0	111.3	I276 M278 H287 I288 I465 L468	I276-A461 PolarHBondContact O-N 3.06Å; M278-A461 PolarHBondContact N-O 3.07Å; H287-A461 WeakPolarHBondContact O-CA 3.46Å; I288-A461 HydrophobicContact CG1-CB 4.08Å; I288-A461 HydrophobicContact CG2-CB 4.5Å; A461-I465 HydrophobicContact CB-CD1 3.88Å; A461-I465 HydrophobicContact CB-CG2 4.03Å; A461-L468 HydrophobicContact CB-CD2 3.6Å
462	V	97.8	Very high	97.1	Very high	10 Å²	10	39.2 Å²	39.2	6%	0.061	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	138.1	-179.7	-171.4	0	0	0	0	110	L180 V183 C184 L187 M278 L283 A286 H287	L180-V462 HydrophobicContact CD2-CG1 4.17Å; V183-V462 HydrophobicContact CG1-CG2 4.49Å; C184-V462 HydrophobicContact CB-CG2 4.19Å; L187-V462 HydrophobicContact CD1-CG2 3.75Å; M278-V462 HydrophobicContact CB-CG1 4.34Å; M278-V462 HydrophobicContact CB-CG2 4.38Å; M278-V462 WeakPolarHBondContact O-CA 3.32Å; L283-V462 HydrophobicContact CD1-CG1 4.32Å; A286-V462 WeakPolarHBondContact CA-O 3.46Å; H287-V462 HydrophobicContact CB-CB 4.49Å; H287-V462 PolarHBondContact N-O 2.8Å; H287-V462 PolarHBondContact O-N 3.03Å
463	G	97.3	Very high	97	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	103.9	-151.1	176.4	0	0	0	0	0	114.5	M278 R279 D280 I465	M278-G463 PolarHBondContact O-N 2.73Å; R279-G463 WeakPolarHBondContact CA-O 3.47Å; D280-G463 PolarHBondContact N-O 3.19Å; D280-G463 CarbonylContact O-C 3.48Å; D280-G463 WeakPolarHBondContact O-CA 3.34Å; G463-I465 PolarHBondContact O-N 2.96Å
464	P	97	Very high	97	Very high	7 Å²	7	41.2 Å²	41.2	5%	0.045	20%	0.203	C	C	.	.	S	Bend	trans	-78.2	67.3	-173.5	33.2	-38.3	0	0	0	112	D280 L285 A286 K365 I368 E466	D280-P464 VanDerWaalsContact O-N 3.16Å; L285-P464 WeakPolarHBondContact O-CD 3.48Å; A286-P464 HydrophobicContact CB-CG 4.37Å; K365-P464 HydrophobicContact CB-CB 3.93Å; K365-P464 HydrophobicContact CB-CG 4.07Å; K365-P464 WeakPolarHBondContact CB-O 3.18Å; I368-P464 WeakPolarHBondContact CD1-O 3.16Å; P464-E466 VanDerWaalsContact C-N 3.33Å; P464-E466 PolarHBondContact O-N 3Å
465	I	96.6	Very high	97.1	Very high	13 Å²	13	39.8 Å²	39.8	7%	0.067	19%	0.191	C	C	.	.			trans	-90	25.7	-167.5	61.4	179.6	0	0	0	114.4	C277 R279 A286 I288 A461 G463 Q467 L468	C277-I465 HydrophobicContact CB-CD1 3.7Å; R279-I465 HydrophobicContact CB-CD1 4.16Å; R279-I465 HydrophobicContact CB-CG1 3.9Å; R279-I465 HydrophobicContact CG-CG1 4.21Å; A286-I465 HydrophobicContact CB-CG2 3.93Å; I288-I465 HydrophobicContact CG1-CG2 4.46Å; A461-I465 HydrophobicContact CB-CD1 3.88Å; A461-I465 HydrophobicContact CB-CG2 4.03Å; G463-I465 PolarHBondContact O-N 2.96Å; I465-Q467 PolarHBondContact O-N 2.63Å; I465-L468 HydrophobicContact CB-CB 4.28Å; I465-L468 VanDerWaalsContact O-CB 3.27Å; I465-L468 WeakPolarHBondContact O-CB 3.42Å; I465-L468 PolarHBondContact O-N 3.14Å
466	E	93.6	Very high	97	Very high	140 Å²	140	38.3 Å²	38.3	65%	0.654	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-27.8	-176.3	-178.6	160.3	-107	0	0	114.2	R279 P464	R279-E466 IonicContact CZ-OE1 2.73Å; R279-E466 VanDerWaalsContact CZ-OE1 3.3Å; R279-E466 IonicContact NH1-OE1 2.75Å; R279-E466 PolarHBondContact NH1-OE1 3Å; R279-E466 VanDerWaalsContact NH2-CD 3.32Å; R279-E466 IonicContact NH2-OE1 3.96Å; R279-E466 PolarHBondContact NH2-OE1 2.86Å; R279-E466 IonicContact NH2-OE2 2.62Å; P464-E466 VanDerWaalsContact C-N 3.33Å; P464-E466 PolarHBondContact O-N 3Å
467	Q	95.3	Very high	96.9	Very high	68 Å²	68	36.8 Å²	36.8	32%	0.318	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	1.1	175	-81.5	-167.5	-9.3	0	0	114.6	K365 H366 I368 I465 P469	K365-Q467 WeakPolarHBondContact O-CG 3.35Å; K365-Q467 PolarHBondContact O-OE1 3.35Å; H366-Q467 PolarHBondContact O-NE2 2.76Å; H366-Q467 PolarHBondContact O-OE1 3.1Å; H366-Q467 VanDerWaalsContact O-OE1 3.06Å; I368-Q467 HydrophobicContact CB-CB 3.93Å; I368-Q467 HydrophobicContact CD1-CB 4.49Å; I465-Q467 PolarHBondContact O-N 2.63Å; Q467-P469 VanDerWaalsContact O-CD 3.31Å; Q467-P469 WeakPolarHBondContact O-CD 3.38Å
468	L	96.9	Very high	96.8	Very high	26 Å²	26	36.8 Å²	36.8	14%	0.136	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-62.4	124.1	176.8	-176.5	69.9	0	0	0	109.3	I288 I368 M372 A461 I465 M474	I288-L468 HydrophobicContact CD1-CD1 4.14Å; I288-L468 HydrophobicContact CG2-CD1 4.17Å; I368-L468 HydrophobicContact CG2-CB 4.19Å; I368-L468 HydrophobicContact CG2-CD1 4.12Å; M372-L468 HydrophobicContact CE-CD1 4.01Å; A461-L468 HydrophobicContact CB-CD2 3.6Å; I465-L468 HydrophobicContact CB-CB 4.28Å; I465-L468 VanDerWaalsContact O-CB 3.27Å; I465-L468 WeakPolarHBondContact O-CB 3.42Å; I465-L468 PolarHBondContact O-N 3.14Å; L468-M474 HydrophobicContact CD1-SD 4.22Å
469	P	96.8	Very high	96.6	Very high	9 Å²	9	40.5 Å²	40.5	6%	0.058	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-59.8	149	175	-25.3	37.1	0	0	0	111.3	D369 M372 Q467 R473 M474	D369-P469 HydrophobicContact CB-CG 4.42Å; D369-P469 WeakPolarHBondContact OD1-CG 3.39Å; M372-P469 HydrophobicContact CB-CG 4.39Å; M372-P469 HydrophobicContact CG-CG 4.32Å; Q467-P469 VanDerWaalsContact O-CD 3.31Å; Q467-P469 WeakPolarHBondContact O-CD 3.38Å; P469-R473 HydrophobicContact CB-CB 4.21Å; P469-R473 HydrophobicContact CB-CG 4.06Å; P469-M474 HydrophobicContact CB-CG 3.94Å; P469-M474 VanDerWaalsContact O-CE 3.28Å; P469-M474 WeakPolarHBondContact O-CE 3.45Å
470	D	96.2	Very high	96.3	Very high	80 Å²	80	42.1 Å²	42.1	43%	0.428	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-66.7	158.1	176.6	76.2	-73.5	0	0	0	111.9	N472 R473 M474	D470-N472 PolarHBondContact O-N 3.33Å; D470-N472 WeakPolarHBondContact OD2-CA 3.27Å; D470-N472 VanDerWaalsContact OD2-CB 3.22Å; D470-N472 WeakPolarHBondContact OD2-CB 3.49Å; D470-N472 PolarHBondContact OD2-N 2.92Å; D470-N472 PolarHBondContact OD2-ND2 3.49Å; D470-R473 PolarHBondContact O-N 3.3Å; D470-R473 WeakPolarHBondContact OD1-CB 3.34Å; D470-R473 PolarHBondContact OD2-N 2.83Å; D470-M474 PolarHBondContact O-N 3.15Å
471	Y	97.4	Very high	95.7	Very high	40 Å²	40	49.8 Å²	49.8	16%	0.157	25%	0.245	C	C	.	.	H	α-helix	trans	-49.5	-38.1	-179.6	-164.8	-102.7	0	0	0	114.2	G273 E275 P457 M474 R475	G273-Y471 WeakPolarHBondContact CA-OH 3.38Å; G273-Y471 PolarHBondContact O-OH 2.93Å; E275-Y471 HydrophobicContact CB-CD2 4Å; E275-Y471 HydrophobicContact CG-CD2 4.19Å; E275-Y471 WeakPolarHBondContact OE2-CA 3.29Å; E275-Y471 WeakPolarHBondContact OE2-CB 3.34Å; E275-Y471 PolarHBondContact OE2-N 3.38Å; P457-Y471 HydrophobicContact CG-CE2 4.39Å; P457-Y471 VanDerWaalsContact O-CE2 3.31Å; P457-Y471 WeakPolarHBondContact O-CE2 3.43Å; P457-Y471 PolarHBondContact O-OH 3.46Å; Y471-M474 HydrophobicContact CD2-CE 4.42Å; Y471-M474 PolarHBondContact O-N 3.2Å; Y471-R475 HydrophobicContact CD1-CB 4.47Å; Y471-R475 HydrophobicContact CE1-CB 4.24Å; Y471-R475 WeakPolarHBondContact O-CB 3.43Å; Y471-R475 PolarHBondContact O-N 2.8Å
472	N	97.2	Very high	95	Very high	120 Å²	120	57.5 Å²	57.5	64%	0.642	27%	0.274	S	S	*	.	H	α-helix	trans	-72.4	-40.3	-177.1	-49.4	-80.8	0	0	0	111.1	D470 R475 S476	D470-N472 PolarHBondContact O-N 3.33Å; D470-N472 WeakPolarHBondContact OD2-CA 3.27Å; D470-N472 VanDerWaalsContact OD2-CB 3.22Å; D470-N472 WeakPolarHBondContact OD2-CB 3.49Å; D470-N472 PolarHBondContact OD2-N 2.92Å; D470-N472 PolarHBondContact OD2-ND2 3.49Å; N472-R475 PolarHBondContact O-N 2.96Å; N472-S476 VanDerWaalsContact O-CB 3.26Å; N472-S476 WeakPolarHBondContact O-CB 3.22Å; N472-S476 PolarHBondContact O-N 2.73Å; N472-S476 PolarHBondContact O-OG 2.81Å
473	R	96.6	Very high	93.4	Very high	121 Å²	121	65.4 Å²	65.4	46%	0.457	31%	0.308	S	S	.	.	H	α-helix	trans	-62.1	-47.6	173.1	-177.8	166.4	171.4	-146.3	-3.6	110.7	D369 P469 D470 R475 S476 A477	D369-R473 VanDerWaalsContact CG-NH1 3.35Å; D369-R473 IonicContact OD1-CZ 2.99Å; D369-R473 IonicContact OD1-NH1 3.91Å; D369-R473 PolarHBondContact OD1-NH1 3.23Å; D369-R473 IonicContact OD1-NH2 3.34Å; D369-R473 PolarHBondContact OD1-NH2 3.22Å; D369-R473 IonicContact OD2-CZ 2.8Å; D369-R473 IonicContact OD2-NH1 2.87Å; D369-R473 PolarHBondContact OD2-NH1 3.18Å; D369-R473 IonicContact OD2-NH2 2.74Å; D369-R473 PolarHBondContact OD2-NH2 3.05Å; P469-R473 HydrophobicContact CB-CB 4.21Å; P469-R473 HydrophobicContact CB-CG 4.06Å; D470-R473 PolarHBondContact O-N 3.3Å; D470-R473 WeakPolarHBondContact OD1-CB 3.34Å; D470-R473 PolarHBondContact OD2-N 2.83Å; R473-R475 PolarHBondContact O-N 3.16Å; R473-S476 PolarHBondContact O-N 2.85Å; R473-S476 PolarHBondContact O-OG 2.83Å; R473-A477 PolarHBondContact O-N 2.91Å
474	M	96.9	Very high	93.3	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-58.3	-49.2	174.3	-64.9	-170.2	-72.5	0	0	111.5	E275 M372 Q376 V459 L468 P469 D470 Y471 S476 A477	E275-M474 WeakPolarHBondContact OE2-CE 3.32Å; M372-M474 HydrophobicContact CE-SD 3.89Å; M372-M474 HydrophobicContact CG-CG 4.36Å; M372-M474 HydrophobicContact CG-SD 4.42Å; M372-M474 HydrophobicContact SD-SD 4.36Å; Q376-M474 PolarHBondContact NE2-O 3.06Å; V459-M474 HydrophobicContact CB-CE 4.19Å; V459-M474 HydrophobicContact CG1-CE 4.04Å; V459-M474 HydrophobicContact CG1-SD 4.13Å; V459-M474 HydrophobicContact CG2-CE 3.82Å; V459-M474 HydrophobicContact CG2-SD 3.94Å; L468-M474 HydrophobicContact CD1-SD 4.22Å; P469-M474 HydrophobicContact CB-CG 3.94Å; P469-M474 VanDerWaalsContact O-CE 3.28Å; P469-M474 WeakPolarHBondContact O-CE 3.45Å; D470-M474 PolarHBondContact O-N 3.15Å; Y471-M474 HydrophobicContact CD2-CE 4.42Å; Y471-M474 PolarHBondContact O-N 3.2Å; M474-S476 VanDerWaalsContact C-N 3.3Å; M474-S476 PolarHBondContact O-N 2.8Å; M474-A477 PolarHBondContact O-N 3.32Å
475	R	97	Very high	93.1	Very high	51 Å²	51	71.9 Å²	71.9	19%	0.192	34%	0.338	C	S	.	.	H	α-helix	trans	-61.4	-35.2	178.5	177.2	58.7	-176.3	81.5	-1.8	113.3	D454 K455 C456 Y471 N472 R473 A477 M478	D454-R475 PolarHBondContact O-NH2 2.93Å; D454-R475 IonicContact OD1-CZ 3.39Å; D454-R475 IonicContact OD1-NH1 2.67Å; D454-R475 PolarHBondContact OD1-NH1 3.39Å; D454-R475 IonicContact OD1-NH2 3.24Å; D454-R475 PolarHBondContact OD1-NH2 3.24Å; D454-R475 IonicContact OD2-NH2 2.92Å; K455-R475 WeakPolarHBondContact O-CD 3.17Å; K455-R475 PolarHBondContact O-NE 3.3Å; C456-R475 PolarHBondContact SG-NE 3.31Å; Y471-R475 HydrophobicContact CD1-CB 4.47Å; Y471-R475 HydrophobicContact CE1-CB 4.24Å; Y471-R475 WeakPolarHBondContact O-CB 3.43Å; Y471-R475 PolarHBondContact O-N 2.8Å; N472-R475 PolarHBondContact O-N 2.96Å; R473-R475 PolarHBondContact O-N 3.16Å; R475-A477 VanDerWaalsContact C-N 3.32Å; R475-M478 WeakPolarHBondContact O-CB 3.29Å; R475-M478 PolarHBondContact O-N 2.9Å
476	S	95.6	Very high	92.9	Very high	58 Å²	58	75.2 Å²	75.2	41%	0.406	35%	0.353	S	S	.	.	H	α-helix	trans	-69.7	-28.4	179	76.2	0	0	0	0	113.1	N472 R473 M474 M478 Y479	N472-S476 VanDerWaalsContact O-CB 3.26Å; N472-S476 WeakPolarHBondContact O-CB 3.22Å; N472-S476 PolarHBondContact O-N 2.73Å; N472-S476 PolarHBondContact O-OG 2.81Å; R473-S476 PolarHBondContact O-N 2.85Å; R473-S476 PolarHBondContact O-OG 2.83Å; M474-S476 VanDerWaalsContact C-N 3.3Å; M474-S476 PolarHBondContact O-N 2.8Å; S476-M478 PolarHBondContact O-N 2.93Å; S476-Y479 WeakPolarHBondContact O-CE1 3.42Å
477	A	95.4	Very high	92.8	Very high	30 Å²	30	71.4 Å²	71.4	25%	0.248	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-0.3	176.9	0	0	0	0	0	113.9	Q376 R473 M474 R475 Y479	Q376-A477 HydrophobicContact CB-CB 4.34Å; Q376-A477 VanDerWaalsContact OE1-CB 3.31Å; R473-A477 PolarHBondContact O-N 2.91Å; M474-A477 PolarHBondContact O-N 3.32Å; R475-A477 VanDerWaalsContact C-N 3.32Å; A477-Y479 PolarHBondContact O-N 3.45Å
478	M	95.9	Very high	92.7	Very high	0 Å²	0	71.6 Å²	71.6	0%	0	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	7.6	176.4	-61.3	-62.5	-66.1	0	0	113.9	V292 Q376 W379 M380 I452 D454 P457 R475 S476	V292-M478 HydrophobicContact CG1-CE 3.62Å; Q376-M478 PolarHBondContact NE2-SD 3.17Å; Q376-M478 VanDerWaalsContact NE2-SD 3.41Å; W379-M478 HydrophobicContact CE3-CE 3.69Å; W379-M478 HydrophobicContact CE3-SD 3.89Å; W379-M478 HydrophobicContact CZ3-CE 3.72Å; W379-M478 HydrophobicContact CZ3-SD 3.96Å; M380-M478 VanDerWaalsContact CE-O 3.27Å; M380-M478 WeakPolarHBondContact CE-O 3.38Å; M380-M478 VanDerWaalsContact SD-C 3.53Å; I452-M478 HydrophobicContact CG2-CE 3.9Å; I452-M478 WeakPolarHBondContact O-CE 3.41Å; D454-M478 PolarHBondContact N-O 2.8Å; P457-M478 HydrophobicContact CG-CG 4.25Å; P457-M478 HydrophobicContact CG-SD 4.41Å; R475-M478 WeakPolarHBondContact O-CB 3.29Å; R475-M478 PolarHBondContact O-N 2.9Å; S476-M478 PolarHBondContact O-N 2.93Å
479	Y	93.9	Very high	92.4	Very high	77 Å²	77	74.6 Å²	74.6	30%	0.302	35%	0.35	S	S	.	.	S	Bend	trans	-148.6	167.8	170.1	62.5	-91.2	0	0	0	110.5	S476 A477 L481	S476-Y479 WeakPolarHBondContact O-CE1 3.42Å; A477-Y479 PolarHBondContact O-N 3.45Å; Y479-L481 HydrophobicContact CD2-CD2 4.16Å; Y479-L481 HydrophobicContact CD2-CG 4.28Å; Y479-L481 HydrophobicContact CE2-CD1 4.46Å; Y479-L481 HydrophobicContact CE2-CD2 3.73Å; Y479-L481 HydrophobicContact CE2-CG 3.85Å
480	W	91.9	Very high	92.1	Very high	35 Å²	35	79.3 Å²	79.3	13%	0.133	37%	0.37	C	S	.	.			trans	-127.5	122.8	177.4	-83.2	-15.3	0	0	0	111.1	N377 M380 T384 R482 F483	N377-W480 HydrophobicContact CB-CZ2 4.35Å; N377-W480 WeakPolarHBondContact OD1-CZ2 3.31Å; M380-W480 HydrophobicContact CB-CD2 3.51Å; M380-W480 HydrophobicContact CB-CE3 3.62Å; M380-W480 HydrophobicContact CB-CG 4.22Å; M380-W480 HydrophobicContact CB-CH2 3.52Å; M380-W480 HydrophobicContact CB-CZ2 3.4Å; M380-W480 VanDerWaalsContact CB-CZ2 3.4Å; M380-W480 HydrophobicContact CB-CZ3 3.62Å; M380-W480 HydrophobicContact CG-CD2 4.04Å; M380-W480 HydrophobicContact CG-CG 4.25Å; M380-W480 HydrophobicContact CG-CZ2 4.31Å; T384-W480 HydrophobicContact CG2-CE3 4.23Å; T384-W480 HydrophobicContact CG2-CZ3 4.44Å; T384-W480 WeakPolarHBondContact OG1-CZ3 3.41Å; W480-R482 HydrophobicContact CB-CG 4.31Å; W480-R482 VanDerWaalsContact CZ2-NH2 3.35Å; W480-R482 PolarHBondContact O-N 3.11Å; W480-F483 HydrophobicContact CB-CD2 4.29Å; W480-F483 HydrophobicContact CE3-CD2 4.04Å; W480-F483 AromaticContact CE3-CE2 3.58Å; W480-F483 HydrophobicContact CE3-CE2 3.58Å; W480-F483 HydrophobicContact CZ3-CE2 4.07Å
481	L	87.3	Confident	91.7	Very high	160 Å²	160	79.2 Å²	79.2	84%	0.838	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	4.4	178.8	-66.3	174.3	0	0	0	115.1	Y479	Y479-L481 HydrophobicContact CD2-CD2 4.16Å; Y479-L481 HydrophobicContact CD2-CG 4.28Å; Y479-L481 HydrophobicContact CE2-CD1 4.46Å; Y479-L481 HydrophobicContact CE2-CD2 3.73Å; Y479-L481 HydrophobicContact CE2-CG 3.85Å
482	R	82.9	Confident	91.3	Very high	162 Å²	162	82.5 Å²	82.5	61%	0.611	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	5.5	-174	72.7	-176.4	173.9	170.2	-2	114.4	W480	W480-R482 HydrophobicContact CB-CG 4.31Å; W480-R482 VanDerWaalsContact CZ2-NH2 3.35Å; W480-R482 PolarHBondContact O-N 3.11Å
483	F	64.7	Low	90.7	Very high	176 Å²	176	79.1 Å²	79.1	77%	0.772	36%	0.36	S	S	*	.			trans	-127.9	0	-173.3	-75.2	-66.3	0	0	0	110.8	T384 W480	T384-F483 HydrophobicContact CG2-CD2 3.86Å; T384-F483 HydrophobicContact CG2-CE2 3.82Å; T384-F483 HydrophobicContact CG2-CG 4.46Å; T384-F483 HydrophobicContact CG2-CZ 4.39Å; W480-F483 HydrophobicContact CB-CD2 4.29Å; W480-F483 HydrophobicContact CE3-CD2 4.04Å; W480-F483 AromaticContact CE3-CE2 3.58Å; W480-F483 HydrophobicContact CE3-CE2 3.58Å; W480-F483 HydrophobicContact CZ3-CE2 4.07Å

Retrieved 483 of 483 residues in 350 ms (Link to these results)

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