A0A087Y3L2_POEFO Loading...

Protein Wnt

Ligand for members of the frizzled family of seven transmembrane receptors.

AlphaFold DB , UniProt , Accession A0A087Y3L2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 367 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	35.6	Very low	39	Very low	231 Å²	231	159.6 Å²	159.6	100%	1.138	86%	0.856	S	S	*	*				0	115.6	0	-77.7	179	83.9	0	0	108.7
2	I	36.8	Very low	39	Very low	148 Å²	148	151.7 Å²	151.7	76%	0.759	84%	0.84	S	S	*	*			trans	50.9	100.9	142	-51.5	173	0	0	0	118.8
3	Y	35.9	Very low	39	Very low	216 Å²	216	152.5 Å²	152.5	85%	0.847	84%	0.841	S	S	*	*			trans	19.2	132.2	132.2	-80.9	-86	0	0	0	123
4	L	39	Very low	39.1	Very low	163 Å²	163	149.9 Å²	149.9	85%	0.853	83%	0.831	S	S	*	*				147.3	117.1	126	-108.7	70.1	0	0	0	106.5
5	G	38.7	Very low	38.9	Very low	76 Å²	76	151.5 Å²	151.5	78%	0.784	83%	0.83	S	S	*	*			cis	96.9	66.4	36.3	0	0	0	0	0	110.1
6	C	38.4	Very low	38.8	Very low	117 Å²	117	149.4 Å²	149.4	79%	0.791	82%	0.823	S	S	*	*			trans	-154	101.7	163.1	-148.5	0	0	0	0	110.8
7	F	37.8	Very low	38.7	Very low	192 Å²	192	149.5 Å²	149.5	84%	0.842	82%	0.819	S	S	*	*			trans	-78	117.1	170	-114.4	-99.7	0	0	0	107.9	L9	F7-L9 HydrophobicContact CD1-CD1 4.2Å
8	L	42.2	Very low	38.5	Very low	162 Å²	162	145.1 Å²	145.1	85%	0.848	81%	0.806	S	S	*	*			trans	-111.9	97.7	166.6	-87.4	161.6	0	0	0	108.3
9	L	42.9	Very low	38.5	Very low	146 Å²	146	143.5 Å²	143.5	76%	0.764	81%	0.806	S	S	*	*			trans	-68.8	124.5	171.4	-97.1	124.4	0	0	0	110.2	F7 C11	F7-L9 HydrophobicContact CD1-CD1 4.2Å; L9-C11 PolarHBondContact O-N 2.77Å
10	L	42.6	Very low	38.4	Very low	178 Å²	178	146.5 Å²	146.5	93%	0.932	81%	0.806	S	S	*	*			trans	-63.9	106.4	162	-80.4	148.5	0	0	0	109.2
11	C	39	Very low	38.4	Very low	127 Å²	127	144.9 Å²	144.9	86%	0.858	80%	0.802	S	S	*	*			trans	-101.8	105.6	169.7	-138.7	0	0	0	0	108.6	L9	L9-C11 PolarHBondContact O-N 2.77Å
12	G	39.4	Very low	38.7	Very low	64 Å²	64	140.7 Å²	140.7	66%	0.66	78%	0.783	S	S	*	*			trans	-67.4	133	172.6	0	0	0	0	0	110.9	T14	G12-T14 VanDerWaalsContact C-N 3.3Å; G12-T14 PolarHBondContact O-N 2.93Å
13	L	38.9	Very low	39	Very low	163 Å²	163	145.2 Å²	145.2	85%	0.853	79%	0.791	S	S	*	*			trans	-68.5	85.9	167.3	-84.3	145.4	0	0	0	109.5
14	T	40.3	Very low	39.2	Very low	115 Å²	115	145.8 Å²	145.8	71%	0.706	79%	0.791	S	S	*	*			trans	-92.5	109.7	156.2	52.7	0	0	0	0	107.5	G12 V16	G12-T14 VanDerWaalsContact C-N 3.3Å; G12-T14 PolarHBondContact O-N 2.93Å; T14-V16 VanDerWaalsContact C-N 3.26Å; T14-V16 PolarHBondContact O-N 2.91Å
15	H	35.2	Very low	39.4	Very low	175 Å²	175	143.2 Å²	143.2	81%	0.81	79%	0.787	S	S	*	*			trans	-64.3	92.2	165	-86.7	-75.8	0	0	0	108.7	I17	H15-I17 PolarHBondContact O-N 2.91Å
16	V	37.3	Very low	39.5	Very low	118 Å²	118	147.8 Å²	147.8	72%	0.715	79%	0.793	S	S	*	*			trans	-74.2	109.6	163.7	178.7	0	0	0	0	106.4	T14 A18	T14-V16 VanDerWaalsContact C-N 3.26Å; T14-V16 PolarHBondContact O-N 2.91Å; V16-A18 PolarHBondContact O-N 3.17Å
17	I	37.7	Very low	39.5	Very low	150 Å²	150	146.2 Å²	146.2	77%	0.769	79%	0.788	S	S	*	*			trans	-67.1	98.5	168.4	-61.1	169.7	0	0	0	106.2	H15 S19	H15-I17 PolarHBondContact O-N 2.91Å; I17-S19 PolarHBondContact O-N 2.76Å; I17-S19 VanDerWaalsContact O-N 3.14Å
18	A	34.9	Very low	39.6	Very low	71 Å²	71	142.9 Å²	142.9	59%	0.587	78%	0.784	S	S	*	*			trans	-63.6	112.8	172.1	0	0	0	0	0	108.9	V16 Y20	V16-A18 PolarHBondContact O-N 3.17Å; A18-Y20 PolarHBondContact O-N 3.4Å
19	S	38.9	Very low	39.1	Very low	115 Å²	115	137.8 Å²	137.8	80%	0.804	77%	0.77	S	S	*	*			trans	-73	107.2	175.4	-32.5	0	0	0	0	108.7	I17	I17-S19 PolarHBondContact O-N 2.76Å; I17-S19 VanDerWaalsContact O-N 3.14Å
20	Y	37.3	Very low	38.6	Very low	202 Å²	202	138.1 Å²	138.1	79%	0.792	77%	0.768	S	S	*	*			trans	-77.8	131.6	163.6	-73.9	-86.6	0	0	0	108.8	A18 I22	A18-Y20 PolarHBondContact O-N 3.4Å; Y20-I22 PolarHBondContact O-N 2.86Å; Y20-I22 VanDerWaalsContact O-N 3.08Å
21	P	37.6	Very low	38.2	Very low	113 Å²	113	138.7 Å²	138.7	73%	0.734	77%	0.765	S	S	*	*			trans	-73.4	106.1	177	29.1	-30.3	0	0	0	108.9	W23	P21-W23 PolarHBondContact O-N 2.97Å; P21-W23 VanDerWaalsContact O-N 3.09Å
22	I	41.6	Very low	38.1	Very low	143 Å²	143	142.2 Å²	142.2	73%	0.733	76%	0.762	S	S	*	*			trans	-73.8	94.1	168.1	-61.7	165	0	0	0	106.7	Y20 W24	Y20-I22 PolarHBondContact O-N 2.86Å; Y20-I22 VanDerWaalsContact O-N 3.08Å; I22-W24 VanDerWaalsContact C-N 3.32Å; I22-W24 HydrophobicContact CG2-CB 4.15Å; I22-W24 HydrophobicContact CG2-CG 4.45Å; I22-W24 PolarHBondContact O-N 2.87Å
23	W	44.2	Very low	37.9	Very low	244 Å²	244	144 Å²	144	92%	0.924	77%	0.765	S	S	*	*			trans	-87.7	79.1	160	-89.5	42.7	0	0	0	108.4	P21	P21-W23 PolarHBondContact O-N 2.97Å; P21-W23 VanDerWaalsContact O-N 3.09Å
24	W	38.7	Very low	37.9	Very low	227 Å²	227	141.7 Å²	141.7	86%	0.86	76%	0.762	S	S	*	*			trans	-118.6	103.8	159.1	-77.7	76.6	0	0	0	107.5	I22	I22-W24 VanDerWaalsContact C-N 3.32Å; I22-W24 HydrophobicContact CG2-CB 4.15Å; I22-W24 HydrophobicContact CG2-CG 4.45Å; I22-W24 PolarHBondContact O-N 2.87Å
25	S	43.2	Very low	37.9	Very low	109 Å²	109	143.4 Å²	143.4	76%	0.762	77%	0.765	S	S	*	*			trans	11	109.8	153.2	-51.8	0	0	0	0	117.1	A27	S25-A27 PolarHBondContact O-N 2.77Å
26	L	41.5	Very low	38.2	Very low	172 Å²	172	138.5 Å²	138.5	90%	0.901	76%	0.762	S	S	*	*			trans	-66.7	80.5	150	-77.7	164.9	0	0	0	108.7	V28	L26-V28 HydrophobicContact CD2-CG2 4.45Å
27	A	37.5	Very low	38.7	Very low	85 Å²	85	138.8 Å²	138.8	70%	0.702	76%	0.764	S	S	*	*			trans	-102.7	87.9	149.9	0	0	0	0	0	105.7	S25 G29	S25-A27 PolarHBondContact O-N 2.77Å; A27-G29 PolarHBondContact O-N 3.39Å
28	V	41.3	Very low	39.4	Very low	122 Å²	122	139.9 Å²	139.9	74%	0.739	77%	0.766	S	S	*	*			trans	-67.5	81.6	157.2	-177.4	0	0	0	0	105	L26 H30	L26-V28 HydrophobicContact CD2-CG2 4.45Å; V28-H30 PolarHBondContact O-N 2.8Å
29	G	31.8	Very low	40.7	Very low	55 Å²	55	141.9 Å²	141.9	57%	0.567	77%	0.773	S	S	*	*			trans	-55.3	127.4	164.9	0	0	0	0	0	106.4	A27 Q31	A27-G29 PolarHBondContact O-N 3.39Å; G29-Q31 PolarHBondContact O-N 2.87Å
30	H	32.3	Very low	42	Very low	153 Å²	153	139.6 Å²	139.6	71%	0.708	75%	0.751	S	S	*	*			trans	-52.9	109.7	162.2	-89.6	20.3	0	0	0	106.7	V28 Y32	V28-H30 PolarHBondContact O-N 2.8Å; H30-Y32 HydrophobicContact CB-CD2 3.96Å; H30-Y32 HydrophobicContact CB-CE2 3.88Å; H30-Y32 PolarHBondContact O-N 2.9Å
31	Q	33.5	Very low	43.9	Very low	189 Å²	189	135.8 Å²	135.8	88%	0.883	74%	0.744	S	S	*	*			trans	-60.3	89.4	154.6	-82.4	178.7	-14.3	0	0	104.9	G29 S33	G29-Q31 PolarHBondContact O-N 2.87Å; Q31-S33 PolarHBondContact O-N 2.78Å
32	Y	37.9	Very low	46	Very low	202 Å²	202	130.9 Å²	130.9	79%	0.792	71%	0.712	S	S	*	*			trans	-60.1	98.1	157.5	-81.5	-87.8	0	0	0	104.8	H30 S34	H30-Y32 HydrophobicContact CB-CD2 3.96Å; H30-Y32 HydrophobicContact CB-CE2 3.88Å; H30-Y32 PolarHBondContact O-N 2.9Å; Y32-S34 VanDerWaalsContact C-N 3.32Å; Y32-S34 PolarHBondContact O-N 2.95Å
33	S	34.2	Very low	47.7	Very low	102 Å²	102	127.7 Å²	127.7	71%	0.713	71%	0.707	S	S	*	*			trans	-49.5	109.4	154.5	-49.4	0	0	0	0	105	Q31 I35	Q31-S33 PolarHBondContact O-N 2.78Å; S33-I35 PolarHBondContact O-N 2.03Å
34	S	39.1	Very low	49.3	Very low	113 Å²	113	120 Å²	120	79%	0.79	69%	0.69	S	S	*	*			trans	-57.9	94.2	166.3	55.9	0	0	0	0	105.9	Y32 G36	Y32-S34 VanDerWaalsContact C-N 3.32Å; Y32-S34 PolarHBondContact O-N 2.95Å; S34-G36 PolarHBondContact O-N 3.15Å
35	I	40.6	Very low	50.9	Low	152 Å²	152	110.6 Å²	110.6	78%	0.779	66%	0.656	S	S	*	*			trans	-54.2	113.6	166.3	-80	171.2	0	0	0	104.5	S33 T37	S33-I35 PolarHBondContact O-N 2.03Å; I35-T37 PolarHBondContact O-N 3.07Å
36	G	42.2	Very low	52.3	Low	72 Å²	72	109.6 Å²	109.6	74%	0.742	65%	0.647	S	S	*	*			trans	-60.8	96.2	-173.6	0	0	0	0	0	110.8	S34 Q38	S34-G36 PolarHBondContact O-N 3.15Å; G36-Q38 PolarHBondContact O-N 3.28Å
37	T	46.9	Very low	53.6	Low	124 Å²	124	103.1 Å²	103.1	76%	0.761	62%	0.622	S	S	*	*			trans	-79.7	104.5	151.6	48.6	0	0	0	0	105.9	I35	I35-T37 PolarHBondContact O-N 3.07Å
38	Q	53.1	Low	55.7	Low	172 Å²	172	100.1 Å²	100.1	80%	0.804	59%	0.594	S	S	*	*			trans	-42.3	131.9	162.6	-74.3	-95.5	-37.1	0	0	108.3	G36 I40	G36-Q38 PolarHBondContact O-N 3.28Å; Q38-I40 PolarHBondContact O-N 3.31Å
39	P	60.6	Low	57.7	Low	113 Å²	113	95.9 Å²	95.9	73%	0.734	57%	0.568	S	S	*	*			trans	-56.1	119.5	-178.8	20.5	-29.9	0	0	0	108.4	L41	P39-L41 PolarHBondContact O-N 3.03Å
40	I	66.3	Low	60.3	Low	68 Å²	68	98.3 Å²	98.3	35%	0.349	57%	0.574	S	S	.	*			trans	-59.3	113.7	179.3	-65.7	171.6	0	0	0	106.9	Q38 C42 I45 P64	Q38-I40 PolarHBondContact O-N 3.31Å; I40-C42 PolarHBondContact O-N 3.22Å; I40-C42 VanDerWaalsContact O-N 3.1Å; I40-I45 HydrophobicContact CG2-CD1 3.9Å; I40-I45 HydrophobicContact CG2-CG1 4.14Å; I40-P64 HydrophobicContact CD1-CG 3.77Å
41	L	78.3	Confident	63	Low	122 Å²	122	95.8 Å²	95.8	64%	0.639	56%	0.561	S	S	*	*			trans	-74.4	105.5	173.5	-164.5	74	0	0	0	107	P39 A43 S44	P39-L41 PolarHBondContact O-N 3.03Å; L41-A43 HydrophobicContact CD2-CB 4.34Å; L41-A43 HydrophobicContact CG-CB 4.3Å; L41-A43 PolarHBondContact O-N 3.32Å; L41-S44 PolarHBondContact O-N 2.78Å; L41-S44 PolarHBondContact O-OG 3.03Å
42	C	81.5	Confident	65.6	Low	10 Å²	10	86.8 Å²	86.8	7%	0.068	52%	0.519	C	S	.	.	G	3₁₀ helix	trans	-48.8	-28.2	179.5	-69.9	0	0	0	0	114.3	I40 S44 I45 L53 C56	I40-C42 PolarHBondContact O-N 3.22Å; I40-C42 VanDerWaalsContact O-N 3.1Å; C42-S44 VanDerWaalsContact C-N 3.33Å; C42-I45 PolarHBondContact O-N 3.01Å; C42-L53 HydrophobicContact CB-CD2 4.29Å; C42-L53 VanDerWaalsContact O-CD2 3.3Å; C42-L53 WeakPolarHBondContact O-CD2 3.5Å; C42-C56 VanDerWaalsContact CA-SG 3.55Å; C42-C56 HydrophobicContact CB-CB 3.74Å; C42-C56 WeakPolarHBondContact CB-SG 3.26Å; C42-C56 WeakPolarHBondContact SG-CB 3.45Å; C42-C56 PolarHBondContact SG-O 2.87Å; C42-C56 VanDerWaalsContact SG-O 3.33Å; C42-C56 CovalentContact SG-SG 2.03Å; C42-C56 PolarHBondContact SG-SG 2.93Å
43	A	77.6	Confident	68.1	Low	75 Å²	75	79.3 Å²	79.3	62%	0.62	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-71.2	-21	176.8	0	0	0	0	0	114.4	L41	L41-A43 HydrophobicContact CD2-CB 4.34Å; L41-A43 HydrophobicContact CG-CB 4.3Å; L41-A43 PolarHBondContact O-N 3.32Å
44	S	77.4	Confident	70.8	Confident	82 Å²	82	82.9 Å²	82.9	57%	0.573	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-83.9	-11.7	176.1	68.8	0	0	0	0	113.1	L41 C42 P46	L41-S44 PolarHBondContact O-N 2.78Å; L41-S44 PolarHBondContact O-OG 3.03Å; C42-S44 VanDerWaalsContact C-N 3.33Å; S44-P46 VanDerWaalsContact O-CD 3.23Å; S44-P46 WeakPolarHBondContact O-CD 3.5Å
45	I	72.8	Confident	73.3	Confident	30 Å²	30	78.1 Å²	78.1	15%	0.154	46%	0.456	C	S	.	.	S	Bend	trans	-73.8	112.4	175.8	-57.7	177.8	0	0	0	108.6	I40 C42 G47 L48 M63 L95	I40-I45 HydrophobicContact CG2-CD1 3.9Å; I40-I45 HydrophobicContact CG2-CG1 4.14Å; C42-I45 PolarHBondContact O-N 3.01Å; I45-G47 PolarHBondContact O-N 3.47Å; I45-L48 HydrophobicContact CB-CD1 3.82Å; I45-L48 HydrophobicContact CB-CG 4.01Å; I45-L48 HydrophobicContact CD1-CD1 4.07Å; I45-L48 HydrophobicContact CG1-CD1 4.49Å; I45-L48 HydrophobicContact CG2-CD1 3.91Å; I45-L48 HydrophobicContact CG2-CD2 4.11Å; I45-L48 HydrophobicContact CG2-CG 3.72Å; I45-M63 HydrophobicContact CD1-CE 4.26Å; I45-L95 HydrophobicContact CD1-CD1 4.46Å; I45-L95 HydrophobicContact CG2-CD1 3.53Å
46	P	71.1	Confident	75.7	Confident	89 Å²	89	70.9 Å²	70.9	58%	0.578	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	137.1	-177.5	28.6	-33.8	0	0	0	110.8	S44	S44-P46 VanDerWaalsContact O-CD 3.23Å; S44-P46 WeakPolarHBondContact O-CD 3.5Å
47	G	70.6	Confident	78	Confident	36 Å²	36	76.2 Å²	76.2	37%	0.371	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.3	1.9	170.9	0	0	0	0	0	116.5	I45	I45-G47 PolarHBondContact O-N 3.47Å
48	L	79.8	Confident	80.1	Confident	22 Å²	22	75.8 Å²	75.8	12%	0.115	41%	0.409	C	S	.	.			trans	-72.4	133.6	173.6	-63	-169.8	0	0	0	112.1	I45 Q52 L53 C56 F184	I45-L48 HydrophobicContact CB-CD1 3.82Å; I45-L48 HydrophobicContact CB-CG 4.01Å; I45-L48 HydrophobicContact CD1-CD1 4.07Å; I45-L48 HydrophobicContact CG1-CD1 4.49Å; I45-L48 HydrophobicContact CG2-CD1 3.91Å; I45-L48 HydrophobicContact CG2-CD2 4.11Å; I45-L48 HydrophobicContact CG2-CG 3.72Å; L48-Q52 HydrophobicContact CB-CB 4.24Å; L48-Q52 HydrophobicContact CD2-CB 4.12Å; L48-L53 HydrophobicContact CB-CD2 3.99Å; L48-L53 HydrophobicContact CB-CG 3.97Å; L48-L53 HydrophobicContact CD1-CD2 4.06Å; L48-C56 HydrophobicContact CD1-CB 4.24Å; L48-F184 HydrophobicContact CD2-CE2 3.81Å; L48-F184 HydrophobicContact CD2-CZ 3.57Å
49	V	83.4	Confident	81.8	Confident	32 Å²	32	71.1 Å²	71.1	19%	0.194	39%	0.385	C	S	.	.			trans	-83.7	162.3	171	-61.9	0	0	0	0	111.6	K51 Q52 L53 R188	V49-K51 VanDerWaalsContact C-N 3.25Å; V49-K51 PolarHBondContact O-N 2.83Å; V49-K51 VanDerWaalsContact O-N 3.09Å; V49-Q52 HydrophobicContact CG2-CB 4.11Å; V49-Q52 HydrophobicContact CG2-CG 3.76Å; V49-Q52 VanDerWaalsContact N-OE1 3.12Å; V49-Q52 CarbonylContact O-C 3.56Å; V49-Q52 WeakPolarHBondContact O-CA 3.4Å; V49-Q52 WeakPolarHBondContact O-CB 3.08Å; V49-Q52 PolarHBondContact O-N 3.03Å; V49-L53 PolarHBondContact O-N 3.03Å; V49-R188 HydrophobicContact CB-CG 4.2Å; V49-R188 HydrophobicContact CG1-CG 3.72Å; V49-R188 HydrophobicContact CG2-CG 3.42Å; V49-R188 VanDerWaalsContact CG2-CG 3.42Å
50	P	87.4	Confident	83.2	Confident	106 Å²	106	68.9 Å²	68.9	69%	0.688	37%	0.369	S	S	*	.	H	α-helix	trans	-51.8	-36.4	-178.5	-30.9	37	0	0	0	115.6	L53 R54	P50-L53 PolarHBondContact O-N 2Å; P50-R54 PolarHBondContact O-N 3.1Å; P50-R54 VanDerWaalsContact O-N 3.11Å
51	K	87.8	Confident	84.3	Confident	101 Å²	101	69 Å²	69	44%	0.439	37%	0.368	S	S	.	.	H	α-helix	trans	-66.9	-42.3	176	-169.7	176.7	175	-167.6	0	111.8	V49 R54 F55 A187	V49-K51 VanDerWaalsContact C-N 3.25Å; V49-K51 PolarHBondContact O-N 2.83Å; V49-K51 VanDerWaalsContact O-N 3.09Å; K51-R54 PolarHBondContact O-N 3.1Å; K51-F55 PolarHBondContact O-N 3.3Å; K51-F55 VanDerWaalsContact O-N 3.09Å; K51-A187 HydrophobicContact CB-CB 4.1Å; K51-A187 HydrophobicContact CD-CB 3.81Å; K51-A187 HydrophobicContact CG-CB 3.89Å
52	Q	89	Confident	84.9	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-69	-34.7	174.4	-68.8	175	-38.9	0	0	112.5	L48 V49 R54 F55 C56 F184 A187 R188	L48-Q52 HydrophobicContact CB-CB 4.24Å; L48-Q52 HydrophobicContact CD2-CB 4.12Å; V49-Q52 HydrophobicContact CG2-CB 4.11Å; V49-Q52 HydrophobicContact CG2-CG 3.76Å; V49-Q52 VanDerWaalsContact N-OE1 3.12Å; V49-Q52 CarbonylContact O-C 3.56Å; V49-Q52 WeakPolarHBondContact O-CA 3.4Å; V49-Q52 WeakPolarHBondContact O-CB 3.08Å; V49-Q52 PolarHBondContact O-N 3.03Å; Q52-R54 VanDerWaalsContact C-N 3.3Å; Q52-R54 PolarHBondContact O-N 3.48Å; Q52-F55 WeakPolarHBondContact O-CB 3.41Å; Q52-F55 PolarHBondContact O-N 3.49Å; Q52-C56 WeakPolarHBondContact O-CB 3.33Å; Q52-C56 PolarHBondContact O-N 3.05Å; Q52-F184 HydrophobicContact CB-CD2 4.42Å; Q52-F184 HydrophobicContact CB-CE2 4.1Å; Q52-F184 HydrophobicContact CG-CD2 4.26Å; Q52-F184 HydrophobicContact CG-CE2 4.18Å; Q52-F184 PolarHBondContact NE2-O 3.18Å; Q52-A187 HydrophobicContact CG-CB 3.66Å; Q52-R188 VanDerWaalsContact OE1-CD 3.29Å
53	L	89.9	Confident	85.3	Confident	44 Å²	44	62.9 Å²	62.9	23%	0.23	34%	0.335	C	S	.	.	H	α-helix	trans	-62.3	-38.9	173.6	-76.5	170.2	0	0	0	111.6	C42 L48 V49 P50 R57	C42-L53 HydrophobicContact CB-CD2 4.29Å; C42-L53 VanDerWaalsContact O-CD2 3.3Å; C42-L53 WeakPolarHBondContact O-CD2 3.5Å; L48-L53 HydrophobicContact CB-CD2 3.99Å; L48-L53 HydrophobicContact CB-CG 3.97Å; L48-L53 HydrophobicContact CD1-CD2 4.06Å; V49-L53 PolarHBondContact O-N 3.03Å; P50-L53 PolarHBondContact O-N 2Å; L53-R57 WeakPolarHBondContact O-CG 3.25Å; L53-R57 PolarHBondContact O-N 3.25Å; L53-R57 VanDerWaalsContact O-N 3.08Å
54	R	91.1	Very high	85.9	Confident	178 Å²	178	62.4 Å²	62.4	67%	0.672	33%	0.326	S	S	*	.	H	α-helix	trans	-65.1	-45.2	173.8	-169.7	-176.9	-59.9	173.2	0.6	111.3	P50 K51 Q52 R57 N58	P50-R54 PolarHBondContact O-N 3.1Å; P50-R54 VanDerWaalsContact O-N 3.11Å; K51-R54 PolarHBondContact O-N 3.1Å; Q52-R54 VanDerWaalsContact C-N 3.3Å; Q52-R54 PolarHBondContact O-N 3.48Å; R54-R57 PolarHBondContact O-N 2.82Å; R54-N58 PolarHBondContact O-N 2.93Å
55	F	91.8	Very high	86.6	Confident	13 Å²	13	59.4 Å²	59.4	6%	0.057	31%	0.305	C	S	.	.	H	α-helix	trans	-56.8	-51.3	174.2	-179.5	-87.4	0	0	0	111.3	K51 Q52 R57 N58 Y59 M63 V180 E183 F184	K51-F55 PolarHBondContact O-N 3.3Å; K51-F55 VanDerWaalsContact O-N 3.09Å; Q52-F55 WeakPolarHBondContact O-CB 3.41Å; Q52-F55 PolarHBondContact O-N 3.49Å; F55-R57 VanDerWaalsContact C-N 3.28Å; F55-R57 PolarHBondContact O-N 3.29Å; F55-N58 PolarHBondContact O-N 2.91Å; F55-Y59 HydrophobicContact CD1-CD2 4.33Å; F55-Y59 AromaticContact CD2-CD2 3.58Å; F55-Y59 HydrophobicContact CD2-CD2 3.58Å; F55-Y59 AromaticContact CD2-CE2 3.92Å; F55-Y59 HydrophobicContact CD2-CE2 3.92Å; F55-Y59 HydrophobicContact CE1-CD2 4.12Å; F55-Y59 HydrophobicContact CE1-CG 4.28Å; F55-Y59 AromaticContact CE2-CD2 3.33Å; F55-Y59 HydrophobicContact CE2-CD2 3.33Å; F55-Y59 AromaticContact CE2-CE2 3.63Å; F55-Y59 HydrophobicContact CE2-CE2 3.63Å; F55-Y59 HydrophobicContact CE2-CG 4.07Å; F55-Y59 HydrophobicContact CG-CD2 4.07Å; F55-Y59 AromaticContact CZ-CD2 3.6Å; F55-Y59 HydrophobicContact CZ-CD2 3.6Å; F55-Y59 HydrophobicContact CZ-CE2 4.27Å; F55-Y59 AromaticContact CZ-CG 3.87Å; F55-Y59 HydrophobicContact CZ-CG 3.87Å; F55-Y59 WeakPolarHBondContact O-CD2 3.42Å; F55-Y59 PolarHBondContact O-N 2.93Å; F55-M63 HydrophobicContact CD1-SD 4.17Å; F55-M63 HydrophobicContact CE1-SD 4.14Å; F55-V180 HydrophobicContact CE1-CG1 4.38Å; F55-V180 HydrophobicContact CZ-CB 4.36Å; F55-V180 HydrophobicContact CZ-CG1 3.85Å; F55-V180 HydrophobicContact CZ-CG2 4.34Å; F55-E183 HydrophobicContact CD2-CB 3.65Å; F55-E183 HydrophobicContact CE2-CB 3.54Å; F55-E183 HydrophobicContact CE2-CG 4.39Å; F55-F184 HydrophobicContact CD1-CB 4.38Å; F55-F184 AromaticContact CD1-CD2 3.78Å; F55-F184 HydrophobicContact CD1-CD2 3.78Å; F55-F184 HydrophobicContact CE1-CB 4.29Å; F55-F184 HydrophobicContact CE1-CD2 4.21Å
56	C	90.6	Very high	87.6	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-57.2	-40	-179.9	-179.9	0	0	0	0	112.3	C42 L48 Q52 N58 Y59 V60 M63	C42-C56 VanDerWaalsContact CA-SG 3.55Å; C42-C56 HydrophobicContact CB-CB 3.74Å; C42-C56 WeakPolarHBondContact CB-SG 3.26Å; C42-C56 WeakPolarHBondContact SG-CB 3.45Å; C42-C56 PolarHBondContact SG-O 2.87Å; C42-C56 VanDerWaalsContact SG-O 3.33Å; C42-C56 CovalentContact SG-SG 2.03Å; C42-C56 PolarHBondContact SG-SG 2.93Å; L48-C56 HydrophobicContact CD1-CB 4.24Å; Q52-C56 WeakPolarHBondContact O-CB 3.33Å; Q52-C56 PolarHBondContact O-N 3.05Å; C56-N58 VanDerWaalsContact C-N 3.33Å; C56-N58 PolarHBondContact O-N 2.04Å; C56-Y59 CarbonylContact O-C 3.54Å; C56-Y59 PolarHBondContact O-N 3.19Å; C56-V60 WeakPolarHBondContact O-CA 3.44Å; C56-V60 WeakPolarHBondContact O-CB 3.29Å; C56-V60 PolarHBondContact O-N 3.45Å; C56-M63 HydrophobicContact CB-CE 4.31Å; C56-M63 HydrophobicContact CB-CG 4.24Å; C56-M63 HydrophobicContact CB-SD 3.97Å
57	R	90.9	Very high	88.4	Confident	183 Å²	183	55.6 Å²	55.6	69%	0.691	29%	0.285	S	S	*	.	H	α-helix	trans	-65	-36.6	176.5	-73.7	174.1	-177.4	179.4	0.3	112.8	L53 R54 F55	L53-R57 WeakPolarHBondContact O-CG 3.25Å; L53-R57 PolarHBondContact O-N 3.25Å; L53-R57 VanDerWaalsContact O-N 3.08Å; R54-R57 PolarHBondContact O-N 2.82Å; F55-R57 VanDerWaalsContact C-N 3.28Å; F55-R57 PolarHBondContact O-N 3.29Å
58	N	90.6	Very high	89.4	Confident	115 Å²	115	57.8 Å²	57.8	62%	0.615	29%	0.286	S	S	*	.	H	α-helix	trans	-77.9	-27.8	179.6	-66.9	-7.4	0	0	0	112.5	R54 F55 C56	R54-N58 PolarHBondContact O-N 2.93Å; F55-N58 PolarHBondContact O-N 2.91Å; C56-N58 VanDerWaalsContact C-N 3.33Å; C56-N58 PolarHBondContact O-N 2.04Å
59	Y	90.4	Very high	90.1	Very high	74 Å²	74	56.8 Å²	56.8	29%	0.29	28%	0.28	S	S	.	.	S	Bend	trans	-125.9	35.6	-170.8	-66.8	-74.1	0	0	0	112.3	F55 C56 E61 I62 M63 I150	F55-Y59 HydrophobicContact CD1-CD2 4.33Å; F55-Y59 AromaticContact CD2-CD2 3.58Å; F55-Y59 HydrophobicContact CD2-CD2 3.58Å; F55-Y59 AromaticContact CD2-CE2 3.92Å; F55-Y59 HydrophobicContact CD2-CE2 3.92Å; F55-Y59 HydrophobicContact CE1-CD2 4.12Å; F55-Y59 HydrophobicContact CE1-CG 4.28Å; F55-Y59 AromaticContact CE2-CD2 3.33Å; F55-Y59 HydrophobicContact CE2-CD2 3.33Å; F55-Y59 AromaticContact CE2-CE2 3.63Å; F55-Y59 HydrophobicContact CE2-CE2 3.63Å; F55-Y59 HydrophobicContact CE2-CG 4.07Å; F55-Y59 HydrophobicContact CG-CD2 4.07Å; F55-Y59 AromaticContact CZ-CD2 3.6Å; F55-Y59 HydrophobicContact CZ-CD2 3.6Å; F55-Y59 HydrophobicContact CZ-CE2 4.27Å; F55-Y59 AromaticContact CZ-CG 3.87Å; F55-Y59 HydrophobicContact CZ-CG 3.87Å; F55-Y59 WeakPolarHBondContact O-CD2 3.42Å; F55-Y59 PolarHBondContact O-N 2.93Å; C56-Y59 CarbonylContact O-C 3.54Å; C56-Y59 PolarHBondContact O-N 3.19Å; Y59-E61 PolarHBondContact O-N 2.76Å; Y59-E61 VanDerWaalsContact O-N 3.14Å; Y59-I62 HydrophobicContact CD1-CD1 4.08Å; Y59-I62 HydrophobicContact CG-CD1 4.27Å; Y59-I62 WeakPolarHBondContact O-CG1 3.33Å; Y59-I62 PolarHBondContact O-N 3.38Å; Y59-M63 WeakPolarHBondContact O-CG 3.29Å; Y59-M63 PolarHBondContact O-N 2.77Å; Y59-I150 HydrophobicContact CD1-CD1 3.62Å; Y59-I150 HydrophobicContact CE1-CD1 4.23Å
60	V	88.8	Confident	90.4	Very high	66 Å²	66	55.2 Å²	55.2	40%	0.4	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-57.8	-33.6	-171.9	67	0	0	0	0	112.9	C56 I62 M63	C56-V60 WeakPolarHBondContact O-CA 3.44Å; C56-V60 WeakPolarHBondContact O-CB 3.29Å; C56-V60 PolarHBondContact O-N 3.45Å; V60-I62 PolarHBondContact O-N 3.46Å; V60-M63 PolarHBondContact O-N 3.17Å
61	E	88.9	Confident	90.6	Very high	70 Å²	70	53.9 Å²	53.9	33%	0.327	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-65	-35.7	-178.1	-171.4	178.8	-164	0	0	113.2	Y59 P64 A148 T149	Y59-E61 PolarHBondContact O-N 2.76Å; Y59-E61 VanDerWaalsContact O-N 3.14Å; E61-P64 WeakPolarHBondContact O-CD 3.06Å; E61-A148 HydrophobicContact CG-CB 4.2Å; E61-A148 WeakPolarHBondContact OE1-CA 3.43Å; E61-T149 VanDerWaalsContact CD-OG1 3.31Å; E61-T149 VanDerWaalsContact OE1-CG2 3.3Å; E61-T149 WeakPolarHBondContact OE1-CG2 3.23Å; E61-T149 PolarHBondContact OE1-N 2.87Å; E61-T149 PolarHBondContact OE1-OG1 3.43Å; E61-T149 PolarHBondContact OE2-N 2.91Å; E61-T149 VanDerWaalsContact OE2-N 3.11Å; E61-T149 PolarHBondContact OE2-OG1 3.13Å
62	I	91	Very high	90.9	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-93.4	-4.7	-178.4	59.4	164.7	0	0	0	113.3	Y59 V60 P64 S65 V66 V139 A148 I150 V180	Y59-I62 HydrophobicContact CD1-CD1 4.08Å; Y59-I62 HydrophobicContact CG-CD1 4.27Å; Y59-I62 WeakPolarHBondContact O-CG1 3.33Å; Y59-I62 PolarHBondContact O-N 3.38Å; V60-I62 PolarHBondContact O-N 3.46Å; I62-P64 VanDerWaalsContact C-CD 3.43Å; I62-S65 WeakPolarHBondContact O-CB 3.33Å; I62-S65 PolarHBondContact O-N 2.89Å; I62-V66 PolarHBondContact O-N 3.13Å; I62-V139 HydrophobicContact CD1-CG1 4.45Å; I62-A148 HydrophobicContact CG2-CB 3.61Å; I62-I150 HydrophobicContact CD1-CD1 4.12Å; I62-I150 HydrophobicContact CG1-CD1 4.09Å; I62-I150 HydrophobicContact CG2-CD1 3.7Å; I62-I150 HydrophobicContact CG2-CG1 3.94Å; I62-V180 HydrophobicContact CD1-CB 4.36Å; I62-V180 HydrophobicContact CD1-CG1 3.85Å; I62-V180 HydrophobicContact CD1-CG2 3.58Å
63	M	90.3	Very high	91.2	Very high	4 Å²	4	50.7 Å²	50.7	2%	0.02	24%	0.242	C	C	.	.	H	α-helix	trans	-59.2	-35.1	179.1	-72.7	-58.7	-51.4	0	0	114.6	I45 F55 C56 Y59 V60 S65 V66 A67 L95 F184	I45-M63 HydrophobicContact CD1-CE 4.26Å; F55-M63 HydrophobicContact CD1-SD 4.17Å; F55-M63 HydrophobicContact CE1-SD 4.14Å; C56-M63 HydrophobicContact CB-CE 4.31Å; C56-M63 HydrophobicContact CB-CG 4.24Å; C56-M63 HydrophobicContact CB-SD 3.97Å; Y59-M63 WeakPolarHBondContact O-CG 3.29Å; Y59-M63 PolarHBondContact O-N 2.77Å; V60-M63 PolarHBondContact O-N 3.17Å; M63-S65 VanDerWaalsContact C-N 3.29Å; M63-S65 PolarHBondContact O-N 2.9Å; M63-V66 HydrophobicContact CE-CB 4.4Å; M63-V66 HydrophobicContact CE-CG1 4.4Å; M63-V66 PolarHBondContact O-N 2.78Å; M63-V66 HydrophobicContact SD-CG2 4.41Å; M63-A67 PolarHBondContact O-N 3.18Å; M63-L95 HydrophobicContact CE-CD1 4.34Å; M63-F184 HydrophobicContact CE-CD2 4.46Å; M63-F184 HydrophobicContact CE-CE2 3.79Å; M63-F184 HydrophobicContact CE-CZ 4.25Å; M63-F184 HydrophobicContact SD-CE2 4.47Å
64	P	89.6	Confident	91.4	Very high	65 Å²	65	48.6 Å²	48.6	42%	0.422	23%	0.231	S	C	.	.	H	α-helix	trans	-56.7	-42.7	169.9	-24.9	34.6	0	0	0	112.5	I40 E61 I62 A67 E68	I40-P64 HydrophobicContact CD1-CG 3.77Å; E61-P64 WeakPolarHBondContact O-CD 3.06Å; I62-P64 VanDerWaalsContact C-CD 3.43Å; P64-A67 PolarHBondContact O-N 3.45Å; P64-E68 PolarHBondContact O-N 2.02Å
65	S	93.6	Very high	91.5	Very high	19 Å²	19	44.5 Å²	44.5	13%	0.133	22%	0.219	C	C	.	.	H	α-helix	trans	-68.4	-34	177.9	-48.1	0	0	0	0	112.2	I62 M63 G69 A138 A142	I62-S65 WeakPolarHBondContact O-CB 3.33Å; I62-S65 PolarHBondContact O-N 2.89Å; M63-S65 VanDerWaalsContact C-N 3.29Å; M63-S65 PolarHBondContact O-N 2.9Å; S65-G69 PolarHBondContact O-N 3.03Å; S65-A138 VanDerWaalsContact O-CB 3.32Å; S65-A138 WeakPolarHBondContact O-CB 3.21Å; S65-A142 WeakPolarHBondContact OG-CB 3.46Å
66	V	92.7	Very high	91.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-63.3	-45.4	172.1	176.2	0	0	0	0	110.8	I62 M63 G69 V70 L95 V135 V139 V180 F184	I62-V66 PolarHBondContact O-N 3.13Å; M63-V66 HydrophobicContact CE-CB 4.4Å; M63-V66 HydrophobicContact CE-CG1 4.4Å; M63-V66 PolarHBondContact O-N 2.78Å; M63-V66 HydrophobicContact SD-CG2 4.41Å; V66-G69 PolarHBondContact O-N 3.46Å; V66-V70 PolarHBondContact O-N 3.36Å; V66-V70 VanDerWaalsContact O-N 3.17Å; V66-L95 HydrophobicContact CG1-CD2 3.95Å; V66-V135 HydrophobicContact CB-CG1 4.4Å; V66-V135 HydrophobicContact CG1-CG1 3.99Å; V66-V135 HydrophobicContact CG1-CG2 4.27Å; V66-V135 HydrophobicContact CG2-CG1 4.23Å; V66-V139 HydrophobicContact CG2-CG2 3.86Å; V66-V180 HydrophobicContact CG2-CG1 3.89Å; V66-F184 HydrophobicContact CG1-CD1 3.76Å; V66-F184 HydrophobicContact CG1-CD2 4.44Å; V66-F184 HydrophobicContact CG1-CE1 3.84Å; V66-F184 HydrophobicContact CG1-CG 4.07Å; V66-F184 HydrophobicContact CG1-CZ 4.22Å
67	A	89.4	Confident	92.1	Very high	39 Å²	39	44.5 Å²	44.5	32%	0.322	22%	0.22	S	C	.	.	H	α-helix	trans	-64.5	-45.6	177.6	0	0	0	0	0	112.2	M63 P64 G69 V70 K71 L95	M63-A67 PolarHBondContact O-N 3.18Å; P64-A67 PolarHBondContact O-N 3.45Å; A67-G69 VanDerWaalsContact C-N 3.29Å; A67-G69 PolarHBondContact O-N 3.24Å; A67-V70 PolarHBondContact O-N 3.05Å; A67-K71 PolarHBondContact O-N 2.89Å; A67-L95 HydrophobicContact CB-CD1 4.3Å; A67-L95 HydrophobicContact CB-CD2 4.31Å; A67-L95 HydrophobicContact CB-CG 4.4Å
68	E	90.5	Very high	92.3	Very high	82 Å²	82	38.8 Å²	38.8	38%	0.383	20%	0.201	S	C	.	.	H	α-helix	trans	-62.9	-37.5	175.9	-174.1	58.4	-157.9	0	0	111.5	P64 V70 K71 I72	P64-E68 PolarHBondContact O-N 2.02Å; E68-V70 PolarHBondContact O-N 3.35Å; E68-K71 WeakPolarHBondContact O-CB 3.47Å; E68-K71 PolarHBondContact O-N 3.34Å; E68-K71 VanDerWaalsContact O-N 3.15Å; E68-K71 WeakPolarHBondContact OE2-CD 2.99Å; E68-K71 IonicContact OE2-NZ 3.47Å; E68-I72 HydrophobicContact CG-CD1 4Å; E68-I72 HydrophobicContact CG-CG1 4.39Å; E68-I72 WeakPolarHBondContact O-CG1 3.07Å; E68-I72 PolarHBondContact O-N 2.87Å
69	G	94.3	Very high	92.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62	-39.5	176.4	0	0	0	0	0	113.8	S65 V66 A67 K71 I72 G73 G134 A138	S65-G69 PolarHBondContact O-N 3.03Å; V66-G69 PolarHBondContact O-N 3.46Å; A67-G69 VanDerWaalsContact C-N 3.29Å; A67-G69 PolarHBondContact O-N 3.24Å; G69-K71 VanDerWaalsContact C-N 3.34Å; G69-I72 PolarHBondContact O-N 3.28Å; G69-G73 PolarHBondContact O-N 3.48Å; G69-G134 VanDerWaalsContact C-C 3.49Å; G69-G134 VanDerWaalsContact CA-C 3.41Å; G69-G134 WeakPolarHBondContact CA-O 3.31Å; G69-G134 CarbonylContact O-C 3.41Å; G69-G134 VanDerWaalsContact O-C 3.24Å; G69-G134 VanDerWaalsContact O-CA 3.25Å; G69-G134 WeakPolarHBondContact O-CA 3.38Å; G69-A138 VanDerWaalsContact CA-CB 3.42Å
70	V	90.7	Very high	92.9	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61.8	-45.1	172.6	173.3	0	0	0	0	110.9	V66 A67 E68 G73 I74 L95 I97 F98 V135	V66-V70 PolarHBondContact O-N 3.36Å; V66-V70 VanDerWaalsContact O-N 3.17Å; A67-V70 PolarHBondContact O-N 3.05Å; E68-V70 PolarHBondContact O-N 3.35Å; V70-G73 PolarHBondContact O-N 2.87Å; V70-I74 WeakPolarHBondContact O-CG1 3.38Å; V70-I74 PolarHBondContact O-N 2.98Å; V70-L95 HydrophobicContact CG2-CD2 3.89Å; V70-I97 HydrophobicContact CG1-CD1 3.38Å; V70-F98 HydrophobicContact CG2-CD2 4.43Å; V70-F98 HydrophobicContact CG2-CE2 3.55Å; V70-F98 HydrophobicContact CG2-CZ 4.25Å; V70-V135 HydrophobicContact CG2-CG2 3.59Å
71	K	90.1	Very high	93.2	Very high	77 Å²	77	30 Å²	30	34%	0.335	15%	0.154	S	C	.	.	H	α-helix	trans	-62	-45.6	178.6	-174.6	-169.8	175.1	-163.9	0	112.1	A67 E68 G69 G73 I74 Q75	A67-K71 PolarHBondContact O-N 2.89Å; E68-K71 WeakPolarHBondContact O-CB 3.47Å; E68-K71 PolarHBondContact O-N 3.34Å; E68-K71 VanDerWaalsContact O-N 3.15Å; E68-K71 WeakPolarHBondContact OE2-CD 2.99Å; E68-K71 IonicContact OE2-NZ 3.47Å; G69-K71 VanDerWaalsContact C-N 3.34Å; K71-G73 VanDerWaalsContact C-N 3.29Å; K71-G73 PolarHBondContact O-N 3.29Å; K71-I74 PolarHBondContact O-N 3.23Å; K71-Q75 HydrophobicContact CG-CG 4.43Å; K71-Q75 WeakPolarHBondContact O-CB 3.35Å; K71-Q75 VanDerWaalsContact O-CG 3.28Å; K71-Q75 WeakPolarHBondContact O-CG 3.36Å; K71-Q75 PolarHBondContact O-N 3.42Å
72	I	95.5	Very high	93.4	Very high	35 Å²	35	34.2 Å²	34.2	18%	0.179	17%	0.167	C	C	.	.	H	α-helix	trans	-55.5	-46.2	173.5	-72.7	167.7	0	0	0	110.3	E68 G69 I74 Q75 E76 F137 A138 F239	E68-I72 HydrophobicContact CG-CD1 4Å; E68-I72 HydrophobicContact CG-CG1 4.39Å; E68-I72 WeakPolarHBondContact O-CG1 3.07Å; E68-I72 PolarHBondContact O-N 2.87Å; G69-I72 PolarHBondContact O-N 3.28Å; I72-I74 PolarHBondContact O-N 2.69Å; I72-Q75 PolarHBondContact O-N 2.93Å; I72-E76 WeakPolarHBondContact O-CB 3.15Å; I72-E76 PolarHBondContact O-N 3.15Å; I72-F137 HydrophobicContact CD1-CD1 4.48Å; I72-A138 HydrophobicContact CD1-CB 4.18Å; I72-F239 HydrophobicContact CG2-CB 4.2Å; I72-F239 HydrophobicContact CG2-CD1 3.33Å; I72-F239 HydrophobicContact CG2-CD2 4.11Å; I72-F239 HydrophobicContact CG2-CE1 3.61Å; I72-F239 HydrophobicContact CG2-CE2 4.35Å; I72-F239 HydrophobicContact CG2-CG 3.6Å; I72-F239 HydrophobicContact CG2-CZ 4.11Å
73	G	95.6	Very high	93.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-58.6	-46.3	177.2	0	0	0	0	0	113.5	G69 V70 K71 E76 C77 I130	G69-G73 PolarHBondContact O-N 3.48Å; V70-G73 PolarHBondContact O-N 2.87Å; K71-G73 VanDerWaalsContact C-N 3.29Å; K71-G73 PolarHBondContact O-N 3.29Å; G73-E76 PolarHBondContact O-N 3.27Å; G73-C77 WeakPolarHBondContact O-CB 2.92Å; G73-C77 PolarHBondContact O-N 3.27Å; G73-I130 WeakPolarHBondContact O-CG2 3.48Å
74	I	92.2	Very high	93.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-74.5	-37.1	-179.3	-59	-51.8	0	0	0	112.7	V70 K71 I72 E76 C77 Q78 V91 D93 I97 V127	V70-I74 WeakPolarHBondContact O-CG1 3.38Å; V70-I74 PolarHBondContact O-N 2.98Å; K71-I74 PolarHBondContact O-N 3.23Å; I72-I74 PolarHBondContact O-N 2.69Å; I74-E76 VanDerWaalsContact C-N 3.27Å; I74-E76 PolarHBondContact O-N 3.47Å; I74-C77 WeakPolarHBondContact O-CA 3.47Å; I74-C77 VanDerWaalsContact O-CB 3.31Å; I74-C77 WeakPolarHBondContact O-CB 2.94Å; I74-C77 PolarHBondContact O-N 3Å; I74-C77 VanDerWaalsContact O-N 3.13Å; I74-Q78 HydrophobicContact CG2-CG 4.4Å; I74-Q78 WeakPolarHBondContact O-CG 3.07Å; I74-Q78 PolarHBondContact O-N 2.8Å; I74-V91 HydrophobicContact CD1-CB 4.3Å; I74-V91 HydrophobicContact CD1-CG1 3.51Å; I74-V91 HydrophobicContact CG1-CG1 4.24Å; I74-V91 HydrophobicContact CG2-CB 4.41Å; I74-D93 WeakPolarHBondContact CB-OD1 3.13Å; I74-D93 WeakPolarHBondContact CG2-OD1 3.28Å; I74-I97 HydrophobicContact CD1-CD1 3.62Å; I74-I97 HydrophobicContact CG1-CD1 3.46Å; I74-I97 VanDerWaalsContact CG1-CD1 3.46Å; I74-V127 HydrophobicContact CD1-CG1 4.17Å
75	Q	94.9	Very high	93.6	Very high	92 Å²	92	39 Å²	39	43%	0.43	18%	0.184	S	C	.	.	H	α-helix	trans	-59.7	-42.3	172.9	-74.3	-178.5	-10.3	0	0	111.1	K71 I72 Q78 H79	K71-Q75 HydrophobicContact CG-CG 4.43Å; K71-Q75 WeakPolarHBondContact O-CB 3.35Å; K71-Q75 VanDerWaalsContact O-CG 3.28Å; K71-Q75 WeakPolarHBondContact O-CG 3.36Å; K71-Q75 PolarHBondContact O-N 3.42Å; I72-Q75 PolarHBondContact O-N 2.93Å; Q75-Q78 PolarHBondContact O-N 2.65Å; Q75-H79 WeakPolarHBondContact O-CB 3.28Å; Q75-H79 PolarHBondContact O-N 3.26Å
76	E	97.9	Very high	93.5	Very high	13 Å²	13	38.7 Å²	38.7	6%	0.061	18%	0.18	C	C	.	.	H	α-helix	trans	-68.8	-35.3	175.1	-170.4	52.1	-142	0	0	111.7	I72 G73 I74 Q78 H79 Q80 I130 F239 R240	I72-E76 WeakPolarHBondContact O-CB 3.15Å; I72-E76 PolarHBondContact O-N 3.15Å; G73-E76 PolarHBondContact O-N 3.27Å; I74-E76 VanDerWaalsContact C-N 3.27Å; I74-E76 PolarHBondContact O-N 3.47Å; E76-Q78 PolarHBondContact O-N 2.76Å; E76-H79 WeakPolarHBondContact O-CB 3.07Å; E76-H79 PolarHBondContact O-N 2.92Å; E76-H79 IonicContact OE1-CE1 3.11Å; E76-H79 IonicContact OE1-CG 3.7Å; E76-H79 IonicContact OE1-ND1 3.78Å; E76-H79 PolarHBondContact OE1-ND1 3.34Å; E76-H79 IonicContact OE2-ND1 2.69Å; E76-Q80 HydrophobicContact CG-CG 4.36Å; E76-Q80 WeakPolarHBondContact O-CB 3.21Å; E76-Q80 VanDerWaalsContact O-CG 3.29Å; E76-Q80 WeakPolarHBondContact O-CG 3.29Å; E76-Q80 PolarHBondContact O-N 2.91Å; E76-Q80 WeakPolarHBondContact OE1-CG 3.46Å; E76-Q80 PolarHBondContact OE1-NE2 2.9Å; E76-I130 HydrophobicContact CB-CG1 4.46Å; E76-I130 HydrophobicContact CG-CD1 4.45Å; E76-F239 HydrophobicContact CB-CD1 3.79Å; E76-F239 HydrophobicContact CB-CE1 3.66Å; E76-F239 HydrophobicContact CG-CD1 3.96Å; E76-F239 HydrophobicContact CG-CE1 4Å; E76-R240 VanDerWaalsContact CD-NE 3.3Å; E76-R240 WeakPolarHBondContact OE1-CD 3Å; E76-R240 IonicContact OE1-CZ 3.1Å; E76-R240 IonicContact OE1-NE 3.83Å; E76-R240 PolarHBondContact OE1-NE 2.6Å; E76-R240 IonicContact OE2-CZ 3.03Å; E76-R240 IonicContact OE2-NE 3.13Å; E76-R240 PolarHBondContact OE2-NE 3.43Å; E76-R240 IonicContact OE2-NH2 2.76Å; E76-R240 PolarHBondContact OE2-NH2 3.08Å; E76-R240 VanDerWaalsContact OE2-NH2 3.13Å
77	C	96.3	Very high	93.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-59.5	-47.2	171.4	-175.1	0	0	0	0	112.6	G73 I74 H79 Q80 F81 C88 F126 I130	G73-C77 WeakPolarHBondContact O-CB 2.92Å; G73-C77 PolarHBondContact O-N 3.27Å; I74-C77 WeakPolarHBondContact O-CA 3.47Å; I74-C77 VanDerWaalsContact O-CB 3.31Å; I74-C77 WeakPolarHBondContact O-CB 2.94Å; I74-C77 PolarHBondContact O-N 3Å; I74-C77 VanDerWaalsContact O-N 3.13Å; C77-H79 VanDerWaalsContact C-N 3.29Å; C77-H79 PolarHBondContact O-N 2.91Å; C77-Q80 PolarHBondContact O-N 3.23Å; C77-F81 WeakPolarHBondContact O-CB 3.27Å; C77-F81 WeakPolarHBondContact O-CD2 3.37Å; C77-F81 PolarHBondContact O-N 3.44Å; C77-C88 HydrophobicContact CB-CB 3.95Å; C77-C88 WeakPolarHBondContact CB-SG 3.1Å; C77-C88 WeakPolarHBondContact SG-CB 3.46Å; C77-C88 CovalentContact SG-SG 2.03Å; C77-C88 PolarHBondContact SG-SG 2.97Å; C77-F126 HydrophobicContact CB-CE1 3.96Å; C77-I130 HydrophobicContact CB-CG2 4.13Å
78	Q	94.6	Very high	93.5	Very high	63 Å²	63	38.8 Å²	38.8	29%	0.294	18%	0.175	S	C	.	.	H	α-helix	trans	-62.3	-39.1	175.3	-68.6	171.5	8.9	0	0	111.2	I74 Q75 E76 R82 C88 T89	I74-Q78 HydrophobicContact CG2-CG 4.4Å; I74-Q78 WeakPolarHBondContact O-CG 3.07Å; I74-Q78 PolarHBondContact O-N 2.8Å; Q75-Q78 PolarHBondContact O-N 2.65Å; E76-Q78 PolarHBondContact O-N 2.76Å; Q78-R82 WeakPolarHBondContact O-CA 3.36Å; Q78-R82 WeakPolarHBondContact O-CB 3.14Å; Q78-R82 PolarHBondContact O-N 3.33Å; Q78-C88 HydrophobicContact CG-CB 4.07Å; Q78-T89 HydrophobicContact CG-CG2 4.49Å
79	H	96.6	Very high	93.1	Very high	45 Å²	45	38.2 Å²	38.2	21%	0.208	18%	0.177	C	C	.	.	H	α-helix	trans	-60.2	-54.1	173.8	172	-95.9	0	0	0	111.3	Q75 E76 C77 F81 R82 R240	Q75-H79 WeakPolarHBondContact O-CB 3.28Å; Q75-H79 PolarHBondContact O-N 3.26Å; E76-H79 WeakPolarHBondContact O-CB 3.07Å; E76-H79 PolarHBondContact O-N 2.92Å; E76-H79 IonicContact OE1-CE1 3.11Å; E76-H79 IonicContact OE1-CG 3.7Å; E76-H79 IonicContact OE1-ND1 3.78Å; E76-H79 PolarHBondContact OE1-ND1 3.34Å; E76-H79 IonicContact OE2-ND1 2.69Å; C77-H79 VanDerWaalsContact C-N 3.29Å; C77-H79 PolarHBondContact O-N 2.91Å; H79-F81 VanDerWaalsContact C-N 3.25Å; H79-F81 PolarHBondContact O-N 2.91Å; H79-R82 PolarHBondContact CE1-NH1 2.81Å; H79-R82 VanDerWaalsContact CE1-NH1 3.35Å; H79-R82 PolarHBondContact NE2-NH1 2.92Å; H79-R82 VanDerWaalsContact NE2-NH1 3.19Å; H79-R82 VanDerWaalsContact O-CD 3.3Å; H79-R82 WeakPolarHBondContact O-CD 3.15Å; H79-R82 VanDerWaalsContact O-CG 3.23Å; H79-R82 WeakPolarHBondContact O-CG 2.96Å; H79-R82 PolarHBondContact O-N 3.46Å; H79-R82 PolarHBondContact O-NH1 3.37Å; H79-R240 PolarHBondContact CD2-NH2 2.82Å; H79-R240 PolarHBondContact CE1-NE 3.29Å; H79-R240 PolarHBondContact CE1-NH1 3.4Å; H79-R240 VanDerWaalsContact ND1-CZ 3.26Å; H79-R240 PolarHBondContact ND1-NE 3.19Å; H79-R240 VanDerWaalsContact ND1-NE 3.19Å; H79-R240 PolarHBondContact ND1-NH2 3.3Å; H79-R240 VanDerWaalsContact NE2-CZ 3.33Å; H79-R240 PolarHBondContact NE2-NH1 3.02Å; H79-R240 VanDerWaalsContact NE2-NH1 3.16Å
80	Q	97.4	Very high	92	Very high	23 Å²	23	39.1 Å²	39.1	11%	0.107	18%	0.183	C	C	.	.	H	α-helix	trans	-61.4	-32.9	-177.5	-71	-60	-21.7	0	0	112.9	E76 C77 F126 D244 K247	E76-Q80 HydrophobicContact CG-CG 4.36Å; E76-Q80 WeakPolarHBondContact O-CB 3.21Å; E76-Q80 VanDerWaalsContact O-CG 3.29Å; E76-Q80 WeakPolarHBondContact O-CG 3.29Å; E76-Q80 PolarHBondContact O-N 2.91Å; E76-Q80 WeakPolarHBondContact OE1-CG 3.46Å; E76-Q80 PolarHBondContact OE1-NE2 2.9Å; C77-Q80 PolarHBondContact O-N 3.23Å; Q80-F126 HydrophobicContact CB-CZ 4.25Å; Q80-F126 HydrophobicContact CG-CZ 4.18Å; Q80-D244 PolarHBondContact NE2-OD1 3.18Å; Q80-K247 HydrophobicContact CB-CD 4.24Å; Q80-K247 HydrophobicContact CG-CB 4.29Å
81	F	95	Very high	90.8	Very high	1 Å²	1	39.6 Å²	39.6	0%	0.004	19%	0.186	C	C	.	.	H	α-helix	trans	-103.6	6.7	-176.3	-72.5	-95	0	0	0	114.7	C77 H79 G83 R84 W86 N87 F126 K247 Y250	C77-F81 WeakPolarHBondContact O-CB 3.27Å; C77-F81 WeakPolarHBondContact O-CD2 3.37Å; C77-F81 PolarHBondContact O-N 3.44Å; H79-F81 VanDerWaalsContact C-N 3.25Å; H79-F81 PolarHBondContact O-N 2.91Å; F81-G83 PolarHBondContact O-N 2.04Å; F81-R84 HydrophobicContact CD1-CB 4.2Å; F81-R84 HydrophobicContact CD1-CG 4.29Å; F81-R84 PolarHBondContact O-N 3.03Å; F81-W86 HydrophobicContact CB-CE3 4.21Å; F81-W86 HydrophobicContact CB-CZ3 4.24Å; F81-W86 AromaticContact CD1-CE3 3.51Å; F81-W86 HydrophobicContact CD1-CE3 3.51Å; F81-W86 AromaticContact CD1-CZ3 3.66Å; F81-W86 HydrophobicContact CD1-CZ3 3.66Å; F81-W86 HydrophobicContact CD2-CE3 4.46Å; F81-W86 AromaticContact CD2-CZ3 3.82Å; F81-W86 HydrophobicContact CD2-CZ3 3.82Å; F81-W86 AromaticContact CE1-CE3 3.92Å; F81-W86 HydrophobicContact CE1-CE3 3.92Å; F81-W86 AromaticContact CE1-CZ3 3.87Å; F81-W86 HydrophobicContact CE1-CZ3 3.87Å; F81-W86 HydrophobicContact CE2-CZ3 4.05Å; F81-W86 AromaticContact CG-CE3 3.81Å; F81-W86 HydrophobicContact CG-CE3 3.81Å; F81-W86 AromaticContact CG-CZ3 3.62Å; F81-W86 HydrophobicContact CG-CZ3 3.62Å; F81-W86 HydrophobicContact CZ-CZ3 4.07Å; F81-N87 WeakPolarHBondContact O-CA 3Å; F81-F126 HydrophobicContact CD2-CD1 4.36Å; F81-F126 HydrophobicContact CD2-CE1 4.14Å; F81-F126 AromaticContact CE2-CD1 3.53Å; F81-F126 HydrophobicContact CE2-CD1 3.53Å; F81-F126 HydrophobicContact CE2-CD2 4.3Å; F81-F126 AromaticContact CE2-CE1 3.57Å; F81-F126 HydrophobicContact CE2-CE1 3.57Å; F81-F126 HydrophobicContact CE2-CE2 4.3Å; F81-F126 AromaticContact CE2-CG 3.92Å; F81-F126 HydrophobicContact CE2-CG 3.92Å; F81-F126 AromaticContact CE2-CZ 3.96Å; F81-F126 HydrophobicContact CE2-CZ 3.96Å; F81-F126 HydrophobicContact CZ-CD1 4.26Å; F81-F126 HydrophobicContact CZ-CG 4.28Å; F81-K247 HydrophobicContact CE2-CD 4.08Å; F81-K247 HydrophobicContact CZ-CD 4.12Å; F81-Y250 HydrophobicContact CE1-CD1 4.33Å; F81-Y250 HydrophobicContact CE1-CD2 4.45Å; F81-Y250 AromaticContact CE1-CE1 3.81Å; F81-Y250 HydrophobicContact CE1-CE1 3.81Å; F81-Y250 AromaticContact CE1-CE2 3.93Å; F81-Y250 HydrophobicContact CE1-CE2 3.93Å; F81-Y250 AromaticContact CE1-CZ 3.59Å; F81-Y250 AromaticContact CZ-CD1 3.95Å; F81-Y250 HydrophobicContact CZ-CD1 3.95Å; F81-Y250 AromaticContact CZ-CD2 3.82Å; F81-Y250 HydrophobicContact CZ-CD2 3.82Å; F81-Y250 AromaticContact CZ-CE1 3.89Å; F81-Y250 HydrophobicContact CZ-CE1 3.89Å; F81-Y250 AromaticContact CZ-CE2 3.74Å; F81-Y250 HydrophobicContact CZ-CE2 3.74Å; F81-Y250 AromaticContact CZ-CG 3.92Å; F81-Y250 HydrophobicContact CZ-CG 3.92Å; F81-Y250 AromaticContact CZ-CZ 3.79Å
82	R	92.3	Very high	89.6	Confident	159 Å²	159	39.3 Å²	39.3	60%	0.6	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.4	-35.6	-176.7	68.4	-167.6	-179.5	-84	4.7	114.9	Q78 H79 R310	Q78-R82 WeakPolarHBondContact O-CA 3.36Å; Q78-R82 WeakPolarHBondContact O-CB 3.14Å; Q78-R82 PolarHBondContact O-N 3.33Å; H79-R82 PolarHBondContact CE1-NH1 2.81Å; H79-R82 VanDerWaalsContact CE1-NH1 3.35Å; H79-R82 PolarHBondContact NE2-NH1 2.92Å; H79-R82 VanDerWaalsContact NE2-NH1 3.19Å; H79-R82 VanDerWaalsContact O-CD 3.3Å; H79-R82 WeakPolarHBondContact O-CD 3.15Å; H79-R82 VanDerWaalsContact O-CG 3.23Å; H79-R82 WeakPolarHBondContact O-CG 2.96Å; H79-R82 PolarHBondContact O-N 3.46Å; H79-R82 PolarHBondContact O-NH1 3.37Å; R82-R310 PolarHBondContact O-NH2 2.02Å
83	G	89.9	Confident	87.8	Confident	25 Å²	25	40.2 Å²	40.2	26%	0.258	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	0.3	180	0	0	0	0	0	115.4	F81 D320	F81-G83 PolarHBondContact O-N 2.04Å; G83-D320 WeakPolarHBondContact O-CA 3.42Å
84	R	93.1	Very high	86.2	Confident	63 Å²	63	44 Å²	44	24%	0.238	21%	0.213	C	C	.	.	S	Bend	trans	-99.7	155.5	-178.7	-63.4	-150.9	179.1	-153.2	5.6	111.7	F81 W86 D251 R310 I319	F81-R84 HydrophobicContact CD1-CB 4.2Å; F81-R84 HydrophobicContact CD1-CG 4.29Å; F81-R84 PolarHBondContact O-N 3.03Å; R84-W86 VanDerWaalsContact C-N 3.26Å; R84-W86 CarbonylContact C-O 3.58Å; R84-W86 WeakPolarHBondContact CB-O 3.44Å; R84-W86 CarbonylContact O-C 3.5Å; R84-W86 PolarHBondContact O-N 2.73Å; R84-D251 IonicContact CZ-OD1 3.27Å; R84-D251 IonicContact NH1-OD1 2.87Å; R84-D251 IonicContact NH2-OD1 2.78Å; R84-D251 PolarHBondContact NH2-OD1 3.19Å; R84-D251 VanDerWaalsContact NH2-OD1 3.11Å; R84-D251 IonicContact NH2-OD2 2.94Å; R84-R310 PolarHBondContact O-NH1 2.79Å; R84-R310 PolarHBondContact O-NH2 3.49Å; R84-I319 HydrophobicContact CB-CG2 4.38Å; R84-I319 HydrophobicContact CG-CG2 4.16Å
85	R	93.7	Very high	84.5	Confident	84 Å²	84	44.8 Å²	44.8	32%	0.317	22%	0.218	S	C	.	.	S	Bend	trans	-54.2	-39.7	-179.8	-60	-177.5	-176.8	152.4	0.1	113.1	F295 T307 R310 L324 L325 C327	R85-F295 HydrophobicContact CB-CB 3.75Å; R85-T307 HydrophobicContact CB-CG2 3.75Å; R85-T307 HydrophobicContact CG-CG2 3.92Å; R85-R310 PolarHBondContact O-NH1 3.48Å; R85-L324 VanDerWaalsContact CZ-O 3.26Å; R85-L324 PolarHBondContact NE-O 3.43Å; R85-L324 PolarHBondContact NH2-O 3.3Å; R85-L325 HydrophobicContact CG-CD1 4.12Å; R85-C327 PolarHBondContact NE-SG 2.81Å
86	W	92	Very high	82.8	Confident	12 Å²	12	41 Å²	41	5%	0.045	20%	0.202	C	C	.	.	S	Bend	trans	-93.9	123.7	161.3	179.9	82.8	0	0	0	108.9	F81 R84 C88 T90 V91 E123 V127 F295	F81-W86 HydrophobicContact CB-CE3 4.21Å; F81-W86 HydrophobicContact CB-CZ3 4.24Å; F81-W86 AromaticContact CD1-CE3 3.51Å; F81-W86 HydrophobicContact CD1-CE3 3.51Å; F81-W86 AromaticContact CD1-CZ3 3.66Å; F81-W86 HydrophobicContact CD1-CZ3 3.66Å; F81-W86 HydrophobicContact CD2-CE3 4.46Å; F81-W86 AromaticContact CD2-CZ3 3.82Å; F81-W86 HydrophobicContact CD2-CZ3 3.82Å; F81-W86 AromaticContact CE1-CE3 3.92Å; F81-W86 HydrophobicContact CE1-CE3 3.92Å; F81-W86 AromaticContact CE1-CZ3 3.87Å; F81-W86 HydrophobicContact CE1-CZ3 3.87Å; F81-W86 HydrophobicContact CE2-CZ3 4.05Å; F81-W86 AromaticContact CG-CE3 3.81Å; F81-W86 HydrophobicContact CG-CE3 3.81Å; F81-W86 AromaticContact CG-CZ3 3.62Å; F81-W86 HydrophobicContact CG-CZ3 3.62Å; F81-W86 HydrophobicContact CZ-CZ3 4.07Å; R84-W86 VanDerWaalsContact C-N 3.26Å; R84-W86 CarbonylContact C-O 3.58Å; R84-W86 WeakPolarHBondContact CB-O 3.44Å; R84-W86 CarbonylContact O-C 3.5Å; R84-W86 PolarHBondContact O-N 2.73Å; W86-C88 HydrophobicContact CE3-CB 4.49Å; W86-C88 HydrophobicContact CH2-CB 3.57Å; W86-C88 WeakPolarHBondContact CH2-SG 3.49Å; W86-C88 HydrophobicContact CZ2-CB 3.88Å; W86-C88 HydrophobicContact CZ3-CB 3.9Å; W86-T90 PolarHBondContact NE1-OG1 2.6Å; W86-V91 HydrophobicContact CZ2-CG2 3.94Å; W86-E123 HydrophobicContact CD2-CB 4.08Å; W86-E123 HydrophobicContact CD2-CG 3.69Å; W86-E123 HydrophobicContact CE3-CB 3.96Å; W86-E123 HydrophobicContact CE3-CG 3.51Å; W86-E123 HydrophobicContact CG-CG 4.17Å; W86-E123 HydrophobicContact CH2-CB 3.96Å; W86-E123 HydrophobicContact CH2-CG 4.43Å; W86-E123 HydrophobicContact CZ2-CB 4.09Å; W86-E123 HydrophobicContact CZ3-CB 3.9Å; W86-E123 HydrophobicContact CZ3-CG 3.91Å; W86-V127 HydrophobicContact CH2-CG2 3.63Å; W86-V127 HydrophobicContact CZ2-CG2 4.02Å; W86-F295 HydrophobicContact CB-CD1 3.88Å; W86-F295 HydrophobicContact CB-CD2 3.85Å; W86-F295 HydrophobicContact CB-CE1 3.92Å; W86-F295 HydrophobicContact CB-CE2 3.88Å; W86-F295 HydrophobicContact CB-CG 3.84Å; W86-F295 HydrophobicContact CB-CZ 3.92Å; W86-F295 AromaticContact CD1-CE1 3.74Å; W86-F295 HydrophobicContact CG-CD1 4.36Å; W86-F295 HydrophobicContact CG-CE1 4.03Å; W86-F295 HydrophobicContact CG-CZ 4.13Å
87	N	90.4	Very high	81	Confident	40 Å²	40	40.7 Å²	40.7	21%	0.214	20%	0.201	C	C	.	.			trans	-116.8	16.6	-172.1	68	-14.8	0	0	0	113.5	F81 T89	F81-N87 WeakPolarHBondContact O-CA 3Å; N87-T89 WeakPolarHBondContact ND2-CG2 3.42Å; N87-T89 PolarHBondContact O-N 3.35Å; N87-T89 VanDerWaalsContact O-N 3.08Å; N87-T89 PolarHBondContact OD1-N 3.35Å; N87-T89 PolarHBondContact OD1-OG1 2.95Å
88	C	89.9	Confident	79.1	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	63.5	5.7	179.7	-154.2	0	0	0	0	116.8	C77 Q78 W86 T90 V91	C77-C88 HydrophobicContact CB-CB 3.95Å; C77-C88 WeakPolarHBondContact CB-SG 3.1Å; C77-C88 WeakPolarHBondContact SG-CB 3.46Å; C77-C88 CovalentContact SG-SG 2.03Å; C77-C88 PolarHBondContact SG-SG 2.97Å; Q78-C88 HydrophobicContact CG-CB 4.07Å; W86-C88 HydrophobicContact CE3-CB 4.49Å; W86-C88 HydrophobicContact CH2-CB 3.57Å; W86-C88 WeakPolarHBondContact CH2-SG 3.49Å; W86-C88 HydrophobicContact CZ2-CB 3.88Å; W86-C88 HydrophobicContact CZ3-CB 3.9Å; C88-T90 PolarHBondContact O-N 3.01Å; C88-V91 PolarHBondContact O-N 3.27Å
89	T	82.2	Confident	77.1	Confident	71 Å²	71	38.5 Å²	38.5	44%	0.436	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-11.4	178.4	61.8	0	0	0	0	113.8	Q78 N87	Q78-T89 HydrophobicContact CG-CG2 4.49Å; N87-T89 WeakPolarHBondContact ND2-CG2 3.42Å; N87-T89 PolarHBondContact O-N 3.35Å; N87-T89 VanDerWaalsContact O-N 3.08Å; N87-T89 PolarHBondContact OD1-N 3.35Å; N87-T89 PolarHBondContact OD1-OG1 2.95Å
90	T	71.3	Confident	74.7	Confident	18 Å²	18	39.7 Å²	39.7	11%	0.11	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-14.1	173.6	56	0	0	0	0	112.3	W86 C88 G303 F305	W86-T90 PolarHBondContact NE1-OG1 2.6Å; C88-T90 PolarHBondContact O-N 3.01Å; T90-G303 WeakPolarHBondContact CG2-O 3.43Å; T90-F305 HydrophobicContact CG2-CD2 3.53Å; T90-F305 HydrophobicContact CG2-CE2 3.43Å; T90-F305 VanDerWaalsContact CG2-CE2 3.43Å
91	V	65.9	Low	72	Confident	11 Å²	11	40.7 Å²	40.7	7%	0.067	21%	0.214	C	C	.	.	S	Bend	trans	-91.7	123.3	-179.2	-170.4	0	0	0	0	108.1	I74 W86 C88 I97 V127	I74-V91 HydrophobicContact CD1-CB 4.3Å; I74-V91 HydrophobicContact CD1-CG1 3.51Å; I74-V91 HydrophobicContact CG1-CG1 4.24Å; I74-V91 HydrophobicContact CG2-CB 4.41Å; W86-V91 HydrophobicContact CZ2-CG2 3.94Å; C88-V91 PolarHBondContact O-N 3.27Å; V91-I97 HydrophobicContact CG1-CD1 4.02Å; V91-I97 HydrophobicContact CG1-CG1 4Å; V91-V127 HydrophobicContact CG1-CG1 3.9Å; V91-V127 HydrophobicContact CG2-CG1 4.4Å; V91-V127 HydrophobicContact CG2-CG2 4Å
92	N	65	Low	69.2	Low	71 Å²	71	48 Å²	48	38%	0.38	25%	0.253	S	S	.	.			trans	-86	131.5	-179.4	-176.3	0.8	0	0	0	110.1	N94 I97 F114	N92-N94 PolarHBondContact ND2-ND2 3.22Å; N92-N94 PolarHBondContact O-N 3.08Å; N92-I97 WeakPolarHBondContact O-CD1 3.48Å; N92-I97 WeakPolarHBondContact O-CG1 3.31Å; N92-F114 HydrophobicContact CB-CE2 4.13Å; N92-F114 HydrophobicContact CB-CZ 4.44Å
93	D	57.1	Low	66.6	Low	54 Å²	54	45 Å²	45	29%	0.289	25%	0.248	S	C	.	.	S	Bend	trans	-63.4	2.1	-178.6	-56.3	-11.3	0	0	0	114.8	I74	I74-D93 WeakPolarHBondContact CB-OD1 3.13Å; I74-D93 WeakPolarHBondContact CG2-OD1 3.28Å
94	N	62.3	Low	64.1	Low	79 Å²	79	54.3 Å²	54.3	42%	0.422	28%	0.282	S	S	.	.	S	Bend	trans	-74.3	149.4	179	-70.2	-15.4	0	0	0	111.9	N92 A96 I97	N92-N94 PolarHBondContact ND2-ND2 3.22Å; N92-N94 PolarHBondContact O-N 3.08Å; N94-A96 HydrophobicContact CB-CB 4.46Å; N94-A96 PolarHBondContact O-N 3.5Å; N94-I97 WeakPolarHBondContact O-CG1 3.18Å; N94-I97 PolarHBondContact O-N 3.43Å; N94-I97 VanDerWaalsContact O-N 3.09Å
95	L	57	Low	61.5	Low	17 Å²	17	53.6 Å²	53.6	9%	0.089	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-52.9	-12.2	174.5	-68.9	170.6	0	0	0	114.7	I45 M63 V66 A67 V70 I97 F184	I45-L95 HydrophobicContact CD1-CD1 4.46Å; I45-L95 HydrophobicContact CG2-CD1 3.53Å; M63-L95 HydrophobicContact CE-CD1 4.34Å; V66-L95 HydrophobicContact CG1-CD2 3.95Å; A67-L95 HydrophobicContact CB-CD1 4.3Å; A67-L95 HydrophobicContact CB-CD2 4.31Å; A67-L95 HydrophobicContact CB-CG 4.4Å; V70-L95 HydrophobicContact CG2-CD2 3.89Å; L95-I97 PolarHBondContact O-N 2.9Å; L95-F184 HydrophobicContact CB-CZ 4.39Å; L95-F184 HydrophobicContact CD1-CZ 4.43Å; L95-F184 HydrophobicContact CD2-CE1 3.84Å; L95-F184 HydrophobicContact CD2-CZ 3.95Å
96	A	59.1	Low	58.8	Low	12 Å²	12	56.3 Å²	56.3	10%	0.099	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-64.2	-12.2	173.3	0	0	0	0	0	114.5	N94 F98 V101 F114 R188	N94-A96 HydrophobicContact CB-CB 4.46Å; N94-A96 PolarHBondContact O-N 3.5Å; A96-F98 PolarHBondContact O-N 3.43Å; A96-V101 HydrophobicContact CB-CG2 4.29Å; A96-F114 HydrophobicContact CB-CZ 4.32Å; A96-R188 PolarHBondContact O-NH1 2.85Å
97	I	59.2	Low	56.4	Low	7 Å²	7	63 Å²	63	4%	0.036	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-52.5	-36.8	176.2	-77	159.6	0	0	0	112.7	V70 I74 V91 N92 N94 L95 G99 V127 A131	V70-I97 HydrophobicContact CG1-CD1 3.38Å; I74-I97 HydrophobicContact CD1-CD1 3.62Å; I74-I97 HydrophobicContact CG1-CD1 3.46Å; I74-I97 VanDerWaalsContact CG1-CD1 3.46Å; V91-I97 HydrophobicContact CG1-CD1 4.02Å; V91-I97 HydrophobicContact CG1-CG1 4Å; N92-I97 WeakPolarHBondContact O-CD1 3.48Å; N92-I97 WeakPolarHBondContact O-CG1 3.31Å; N94-I97 WeakPolarHBondContact O-CG1 3.18Å; N94-I97 PolarHBondContact O-N 3.43Å; N94-I97 VanDerWaalsContact O-N 3.09Å; L95-I97 PolarHBondContact O-N 2.9Å; I97-G99 PolarHBondContact O-N 3.37Å; I97-V127 HydrophobicContact CG2-CG1 4.35Å; I97-A131 HydrophobicContact CG2-CB 4.15Å
98	F	56.6	Low	54	Low	0 Å²	0	66 Å²	66	0%	0	38%	0.377	C	S	.	.	S	Bend	trans	-80.3	41.1	-173.8	-65.1	-63.9	0	0	0	114.9	V70 A96 A131 S132 V135 F184 A185 R188	V70-F98 HydrophobicContact CG2-CD2 4.43Å; V70-F98 HydrophobicContact CG2-CE2 3.55Å; V70-F98 HydrophobicContact CG2-CZ 4.25Å; A96-F98 PolarHBondContact O-N 3.43Å; F98-A131 HydrophobicContact CE1-CB 3.9Å; F98-A131 HydrophobicContact CZ-CB 3.7Å; F98-S132 WeakPolarHBondContact CE1-OG 3.38Å; F98-V135 HydrophobicContact CE2-CG2 3.96Å; F98-V135 HydrophobicContact CZ-CG2 4.07Å; F98-F184 HydrophobicContact CD2-CD1 4.06Å; F98-F184 AromaticContact CD2-CE1 3.93Å; F98-F184 HydrophobicContact CD2-CE1 3.93Å; F98-F184 HydrophobicContact CE2-CD1 4.31Å; F98-F184 HydrophobicContact CE2-CE1 4.36Å; F98-A185 HydrophobicContact CD1-CB 3.49Å; F98-A185 VanDerWaalsContact CD1-CB 3.49Å; F98-A185 HydrophobicContact CD2-CB 4.35Å; F98-A185 HydrophobicContact CE1-CB 3.54Å; F98-A185 HydrophobicContact CE2-CB 4.36Å; F98-A185 HydrophobicContact CG-CB 3.92Å; F98-A185 HydrophobicContact CZ-CB 3.98Å; F98-R188 WeakPolarHBondContact O-CB 3.44Å; F98-R188 WeakPolarHBondContact O-CD 3.44Å; F98-R188 WeakPolarHBondContact O-CG 3.07Å; F98-R188 PolarHBondContact O-NE 2.59Å; F98-R188 PolarHBondContact O-NH1 3.24Å
99	G	53.4	Low	51.8	Low	17 Å²	17	72.1 Å²	72.1	18%	0.175	41%	0.414	C	S	.	.	S	Bend	trans	154.6	-170.1	166.3	0	0	0	0	0	117.1	I97 V101 R188	I97-G99 PolarHBondContact O-N 3.37Å; G99-V101 PolarHBondContact O-N 3.36Å; G99-R188 VanDerWaalsContact CA-NH1 3.31Å; G99-R188 PolarHBondContact O-NH2 3.4Å; G99-R188 VanDerWaalsContact O-NH2 3.09Å
100	P	45.4	Very low	50.2	Low	69 Å²	69	75.2 Å²	75.2	45%	0.448	42%	0.418	S	S	.	.			trans	-76.2	109.1	-177.3	28.5	-31.5	0	0	0	111	L102 R188	P100-L102 PolarHBondContact O-N 2.9Å; P100-L102 VanDerWaalsContact O-N 3.12Å; P100-R188 VanDerWaalsContact N-NH2 3.13Å; P100-R188 PolarHBondContact O-NH2 3.23Å
101	V	41.6	Very low	48.7	Very low	44 Å²	44	80 Å²	80	27%	0.267	44%	0.438	S	S	.	.			trans	-58.9	115	179.6	179.2	0	0	0	0	109.2	A96 G99 D103 F114	A96-V101 HydrophobicContact CB-CG2 4.29Å; G99-V101 PolarHBondContact O-N 3.36Å; V101-D103 PolarHBondContact O-N 2.79Å; V101-F114 HydrophobicContact CG2-CD1 3.62Å; V101-F114 HydrophobicContact CG2-CE1 3.31Å; V101-F114 HydrophobicContact CG2-CZ 3.97Å
102	L	34.9	Very low	47.5	Very low	156 Å²	156	87.1 Å²	87.1	82%	0.817	47%	0.467	S	S	*	.			trans	-81.3	110.7	169.7	-74.4	171.6	0	0	0	107.9	P100 K104	P100-L102 PolarHBondContact O-N 2.9Å; P100-L102 VanDerWaalsContact O-N 3.12Å; L102-K104 PolarHBondContact O-N 3.36Å
103	D	38.7	Very low	46.2	Very low	95 Å²	95	86.2 Å²	86.2	51%	0.508	47%	0.47	S	S	.	.			trans	-66	116.7	-176.5	-63.7	-48.2	0	0	0	112.3	V101	V101-D103 PolarHBondContact O-N 2.79Å
104	K	36.9	Very low	45.7	Very low	221 Å²	221	87 Å²	87	96%	0.961	47%	0.471	S	S	*	.			trans	-120.9	59.5	154	-77.3	-166	177.6	-175.3	0	109.6	L102	L102-K104 PolarHBondContact O-N 3.36Å
105	G	38.3	Very low	45.2	Very low	48 Å²	48	88.6 Å²	88.6	50%	0.495	47%	0.471	S	S	.	.	S	Bend	trans	-150.5	148.7	178.1	0	0	0	0	0	112.2
106	N	36.8	Very low	44.8	Very low	141 Å²	141	88.1 Å²	88.1	75%	0.754	47%	0.469	S	S	*	.			trans	-58.2	149.3	-168.8	-63.3	-8.3	0	0	0	114.1	A108 T109	N106-A108 PolarHBondContact O-N 2.93Å; N106-T109 PolarHBondContact O-N 3.35Å
107	E	42.3	Very low	44.5	Very low	153 Å²	153	89 Å²	89	72%	0.715	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-17.3	-166.5	-156.5	162.3	-159	0	0	115.7	R110	E107-R110 WeakPolarHBondContact O-CB 3.12Å
108	A	40.9	Very low	44.7	Very low	102 Å²	102	94.3 Å²	94.3	84%	0.843	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-23.5	179.5	0	0	0	0	0	114.5	N106 R110	N106-A108 PolarHBondContact O-N 2.93Å; A108-R110 VanDerWaalsContact C-N 3.31Å
109	T	42.6	Very low	45.7	Very low	129 Å²	129	95.9 Å²	95.9	79%	0.791	51%	0.505	S	S	*	.	S	Bend	trans	-90.6	-1.8	176.4	-25.5	0	0	0	0	112.2	N106 F111	N106-T109 PolarHBondContact O-N 3.35Å; T109-F111 VanDerWaalsContact C-N 3.34Å; T109-F111 PolarHBondContact O-N 3.3Å
110	R	48.1	Very low	47.4	Very low	136 Å²	136	95 Å²	95	51%	0.513	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-6.4	-163.2	-161.1	171.7	150.9	121.1	-9.4	115.5	E107 A108	E107-R110 WeakPolarHBondContact O-CB 3.12Å; A108-R110 VanDerWaalsContact C-N 3.31Å
111	F	39.9	Very low	49.7	Very low	119 Å²	119	91.8 Å²	91.8	52%	0.522	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.3	-10.4	-160.4	-106.6	-87.9	0	0	0	118.7	T109	T109-F111 VanDerWaalsContact C-N 3.34Å; T109-F111 PolarHBondContact O-N 3.3Å
112	K	40.8	Very low	52.3	Low	159 Å²	159	92.8 Å²	92.8	69%	0.691	47%	0.474	S	S	*	.	S	Bend	trans	-111.9	-20.7	-160.6	-70.1	-174.2	178.1	179.5	0	118.6
113	A	39	Very low	55.1	Low	53 Å²	53	85.8 Å²	85.8	44%	0.438	44%	0.438	S	S	.	.	S	Bend	trans	-122.9	-18.5	-170.6	0	0	0	0	0	116.2
114	F	46.3	Very low	57.6	Low	71 Å²	71	81.4 Å²	81.4	31%	0.311	42%	0.415	S	S	.	.	S	Bend	trans	-111.9	15.7	-162	-116.6	-86.2	0	0	0	115.6	N92 A96 V101	N92-F114 HydrophobicContact CB-CE2 4.13Å; N92-F114 HydrophobicContact CB-CZ 4.44Å; A96-F114 HydrophobicContact CB-CZ 4.32Å; V101-F114 HydrophobicContact CG2-CD1 3.62Å; V101-F114 HydrophobicContact CG2-CE1 3.31Å; V101-F114 HydrophobicContact CG2-CZ 3.97Å
115	R	51.8	Low	60.4	Low	112 Å²	112	70.9 Å²	70.9	42%	0.423	37%	0.369	S	S	.	.	S	Bend	trans	-98	-26.2	-171.7	-141.3	164	159.7	152.4	-1.7	113.8	T117 K118 T119 E301	R115-T117 VanDerWaalsContact C-N 3.31Å; R115-T117 PolarHBondContact O-N 2.79Å; R115-K118 HydrophobicContact CG-CD 4.35Å; R115-K118 WeakPolarHBondContact O-CA 3.38Å; R115-K118 WeakPolarHBondContact O-CB 3.46Å; R115-K118 PolarHBondContact O-N 2.7Å; R115-T119 PolarHBondContact O-N 3.26Å; R115-E301 WeakPolarHBondContact CD-O 3.33Å; R115-E301 WeakPolarHBondContact CG-O 3.33Å
116	Q	47.7	Very low	63.2	Low	7 Å²	7	68.6 Å²	68.6	3%	0.033	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-59.9	-38.9	177.2	-169.7	62.6	44.7	0	0	112.3	K118 T119 T121 T302	Q116-K118 PolarHBondContact O-N 3.05Å; Q116-T119 PolarHBondContact O-N 3.1Å; Q116-T119 PolarHBondContact O-OG1 3.46Å; Q116-T121 PolarHBondContact NE2-OG1 3.12Å; Q116-T302 WeakPolarHBondContact CA-O 3.44Å; Q116-T302 VanDerWaalsContact CB-O 3.3Å; Q116-T302 WeakPolarHBondContact CB-O 3.27Å; Q116-T302 PolarHBondContact N-O 3.43Å; Q116-T302 PolarHBondContact OE1-O 2.92Å
117	T	53.2	Low	66	Low	30 Å²	30	62 Å²	62	18%	0.184	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-73.1	-9.9	173.7	37.7	0	0	0	0	114	R115 R195	R115-T117 VanDerWaalsContact C-N 3.31Å; R115-T117 PolarHBondContact O-N 2.79Å; T117-R195 VanDerWaalsContact O-CZ 3.25Å; T117-R195 PolarHBondContact O-NH1 3.43Å; T117-R195 PolarHBondContact O-NH2 2.95Å
118	K	62.4	Low	68.5	Low	118 Å²	118	54.8 Å²	54.8	51%	0.513	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-81.8	-28.5	171	-64.7	-173.4	179.4	-179.9	0	112	R115 Q116 R195	R115-K118 HydrophobicContact CG-CD 4.35Å; R115-K118 WeakPolarHBondContact O-CA 3.38Å; R115-K118 WeakPolarHBondContact O-CB 3.46Å; R115-K118 PolarHBondContact O-N 2.7Å; Q116-K118 PolarHBondContact O-N 3.05Å; K118-R195 PolarHBondContact O-NH1 2.66Å
119	T	77.9	Confident	71.2	Confident	33 Å²	33	50 Å²	50	20%	0.202	24%	0.236	C	C	.	.	S	Bend	trans	-80.5	135.3	179.2	63.8	0	0	0	0	111.6	R115 Q116 T121 S124 R195 E290	R115-T119 PolarHBondContact O-N 3.26Å; Q116-T119 PolarHBondContact O-N 3.1Å; Q116-T119 PolarHBondContact O-OG1 3.46Å; T119-T121 PolarHBondContact O-N 3.16Å; T119-T121 VanDerWaalsContact OG1-CG2 3.3Å; T119-T121 WeakPolarHBondContact OG1-CG2 3.43Å; T119-T121 PolarHBondContact OG1-OG1 3.22Å; T119-S124 WeakPolarHBondContact O-CB 3.34Å; T119-R195 PolarHBondContact O-NH1 3.11Å; T119-E290 WeakPolarHBondContact CA-OE2 3.34Å; T119-E290 WeakPolarHBondContact CB-OE2 3.39Å
120	A	90.4	Very high	73.8	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	20%	0.198	C	C	.	.			trans	-80.9	50	-177.1	0	0	0	0	0	112.3	R195 M198 Y288 Y289 E290	A120-R195 VanDerWaalsContact CA-NH1 3.35Å; A120-M198 HydrophobicContact CB-CE 4.15Å; A120-M198 HydrophobicContact CB-SD 3.63Å; A120-Y288 WeakPolarHBondContact O-CB 3.12Å; A120-Y289 HydrophobicContact CB-CD1 3.68Å; A120-Y289 HydrophobicContact CB-CD2 3.85Å; A120-Y289 HydrophobicContact CB-CE1 3.28Å; A120-Y289 HydrophobicContact CB-CE2 3.45Å; A120-Y289 VanDerWaalsContact CB-CE2 3.45Å; A120-Y289 HydrophobicContact CB-CG 3.95Å; A120-Y289 WeakPolarHBondContact CB-OH 3.37Å; A120-Y289 PolarHBondContact O-N 3.13Å; A120-Y289 VanDerWaalsContact O-N 3.13Å; A120-E290 HydrophobicContact CB-CB 4.14Å; A120-E290 HydrophobicContact CB-CG 3.96Å; A120-E290 PolarHBondContact N-OE2 3.43Å; A120-E290 PolarHBondContact O-N 3.16Å
121	T	93.6	Very high	76.1	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.006	17%	0.174	C	C	.	.			trans	-86.2	163.2	-176.3	52.8	0	0	0	0	111.7	Q116 T119 E123 S124 A125	Q116-T121 PolarHBondContact NE2-OG1 3.12Å; T119-T121 PolarHBondContact O-N 3.16Å; T119-T121 VanDerWaalsContact OG1-CG2 3.3Å; T119-T121 WeakPolarHBondContact OG1-CG2 3.43Å; T119-T121 PolarHBondContact OG1-OG1 3.22Å; T121-E123 VanDerWaalsContact C-N 3.26Å; T121-E123 PolarHBondContact O-N 2.73Å; T121-S124 WeakPolarHBondContact O-CB 3.47Å; T121-S124 PolarHBondContact O-N 2.77Å; T121-S124 VanDerWaalsContact O-N 3.11Å; T121-A125 PolarHBondContact O-N 2.96Å
122	R	95.8	Very high	78.8	Confident	64 Å²	64	31.7 Å²	31.7	24%	0.242	15%	0.149	C	C	.	.	H	α-helix	trans	-58.8	-37.9	176.3	-164.3	-171.8	-75.5	-151.3	-0	112.3	S124 A125 F126 Y250 D251 A253 Y288	R122-S124 VanDerWaalsContact C-N 3.33Å; R122-A125 WeakPolarHBondContact O-CB 3.3Å; R122-A125 PolarHBondContact O-N 3.19Å; R122-F126 PolarHBondContact O-N 3.03Å; R122-Y250 HydrophobicContact CB-CD2 4.44Å; R122-Y250 HydrophobicContact CB-CE2 3.92Å; R122-Y250 VanDerWaalsContact CD-O 3.31Å; R122-Y250 WeakPolarHBondContact CD-O 3.45Å; R122-Y250 HydrophobicContact CG-CD2 3.61Å; R122-Y250 HydrophobicContact CG-CE2 3.46Å; R122-Y250 VanDerWaalsContact CG-CE2 3.46Å; R122-Y250 HydrophobicContact CG-CG 4.35Å; R122-Y250 WeakPolarHBondContact O-CD2 3.31Å; R122-D251 PolarHBondContact NH1-O 2.82Å; R122-A253 HydrophobicContact CG-CB 3.88Å; R122-Y288 HydrophobicContact CB-CD1 4.13Å; R122-Y288 HydrophobicContact CB-CD2 4.46Å; R122-Y288 HydrophobicContact CB-CE1 4.35Å; R122-Y288 HydrophobicContact CB-CG 4.18Å; R122-Y288 HydrophobicContact CG-CD1 4.13Å; R122-Y288 HydrophobicContact CG-CE1 4.23Å; R122-Y288 PolarHBondContact NH2-OH 3.33Å
123	E	93.4	Very high	81.6	Confident	10 Å²	10	24.1 Å²	24.1	5%	0.047	12%	0.116	C	C	.	.	H	α-helix	trans	-63	-42.9	176.1	-66.8	67	-139.7	0	0	110.7	W86 T121 A125 F126 V127 Y250 S292 F295	W86-E123 HydrophobicContact CD2-CB 4.08Å; W86-E123 HydrophobicContact CD2-CG 3.69Å; W86-E123 HydrophobicContact CE3-CB 3.96Å; W86-E123 HydrophobicContact CE3-CG 3.51Å; W86-E123 HydrophobicContact CG-CG 4.17Å; W86-E123 HydrophobicContact CH2-CB 3.96Å; W86-E123 HydrophobicContact CH2-CG 4.43Å; W86-E123 HydrophobicContact CZ2-CB 4.09Å; W86-E123 HydrophobicContact CZ3-CB 3.9Å; W86-E123 HydrophobicContact CZ3-CG 3.91Å; T121-E123 VanDerWaalsContact C-N 3.26Å; T121-E123 PolarHBondContact O-N 2.73Å; E123-A125 VanDerWaalsContact C-N 3.32Å; E123-A125 PolarHBondContact O-N 3.23Å; E123-F126 PolarHBondContact O-N 3Å; E123-V127 WeakPolarHBondContact O-CG2 3.23Å; E123-V127 PolarHBondContact O-N 3.41Å; E123-Y250 HydrophobicContact CG-CE2 4.28Å; E123-Y250 PolarHBondContact OE1-OH 2.79Å; E123-S292 PolarHBondContact OE1-OG 2.95Å; E123-S292 VanDerWaalsContact OE2-CB 3.3Å; E123-S292 WeakPolarHBondContact OE2-CB 3.44Å; E123-S292 PolarHBondContact OE2-OG 3.37Å; E123-F295 HydrophobicContact CG-CE2 4.41Å; E123-F295 HydrophobicContact CG-CZ 4.19Å
124	S	91.6	Very high	84.4	Confident	3 Å²	3	21.6 Å²	21.6	2%	0.021	10%	0.095	C	C	.	.	H	α-helix	trans	-65.9	-36.2	178.3	-167.2	0	0	0	0	112.3	T119 T121 R122 F126 V127 H128 R195	T119-S124 WeakPolarHBondContact O-CB 3.34Å; T121-S124 WeakPolarHBondContact O-CB 3.47Å; T121-S124 PolarHBondContact O-N 2.77Å; T121-S124 VanDerWaalsContact O-N 3.11Å; R122-S124 VanDerWaalsContact C-N 3.33Å; S124-F126 VanDerWaalsContact C-N 3.34Å; S124-V127 PolarHBondContact O-N 3.49Å; S124-H128 PolarHBondContact O-CD2 3.34Å; S124-H128 VanDerWaalsContact O-CD2 3.29Å; S124-H128 PolarHBondContact O-N 3.27Å; S124-H128 VanDerWaalsContact O-N 3.1Å; S124-R195 PolarHBondContact OG-NH2 3.48Å
125	A	96.3	Very high	86.8	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-58.4	-46.8	174.5	0	0	0	0	0	111.5	T121 R122 E123 H128 A129 N202 L286 V287	T121-A125 PolarHBondContact O-N 2.96Å; R122-A125 WeakPolarHBondContact O-CB 3.3Å; R122-A125 PolarHBondContact O-N 3.19Å; E123-A125 VanDerWaalsContact C-N 3.32Å; E123-A125 PolarHBondContact O-N 3.23Å; A125-H128 PolarHBondContact O-N 3.13Å; A125-A129 PolarHBondContact O-N 3.49Å; A125-A129 VanDerWaalsContact O-N 3.15Å; A125-N202 WeakPolarHBondContact CA-ND2 3.32Å; A125-N202 WeakPolarHBondContact CB-ND2 3.37Å; A125-L286 HydrophobicContact CB-CB 4.41Å; A125-V287 WeakPolarHBondContact CB-O 3.03Å
126	F	97.3	Very high	89	Confident	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-63.4	-44.1	176.6	178.8	-87	0	0	0	112.5	C77 Q80 F81 R122 E123 S124 H128 A129 I130 M246 K247 Y250 L286	C77-F126 HydrophobicContact CB-CE1 3.96Å; Q80-F126 HydrophobicContact CB-CZ 4.25Å; Q80-F126 HydrophobicContact CG-CZ 4.18Å; F81-F126 HydrophobicContact CD2-CD1 4.36Å; F81-F126 HydrophobicContact CD2-CE1 4.14Å; F81-F126 AromaticContact CE2-CD1 3.53Å; F81-F126 HydrophobicContact CE2-CD1 3.53Å; F81-F126 HydrophobicContact CE2-CD2 4.3Å; F81-F126 AromaticContact CE2-CE1 3.57Å; F81-F126 HydrophobicContact CE2-CE1 3.57Å; F81-F126 HydrophobicContact CE2-CE2 4.3Å; F81-F126 AromaticContact CE2-CG 3.92Å; F81-F126 HydrophobicContact CE2-CG 3.92Å; F81-F126 AromaticContact CE2-CZ 3.96Å; F81-F126 HydrophobicContact CE2-CZ 3.96Å; F81-F126 HydrophobicContact CZ-CD1 4.26Å; F81-F126 HydrophobicContact CZ-CG 4.28Å; R122-F126 PolarHBondContact O-N 3.03Å; E123-F126 PolarHBondContact O-N 3Å; S124-F126 VanDerWaalsContact C-N 3.34Å; F126-H128 VanDerWaalsContact C-N 3.35Å; F126-H128 PolarHBondContact O-N 2.94Å; F126-A129 PolarHBondContact O-N 2.87Å; F126-I130 HydrophobicContact CD1-CG2 4.13Å; F126-I130 HydrophobicContact CE1-CB 4.04Å; F126-I130 HydrophobicContact CE1-CG1 4.39Å; F126-I130 HydrophobicContact CE1-CG2 3.81Å; F126-I130 HydrophobicContact CZ-CB 4.21Å; F126-I130 HydrophobicContact CZ-CG1 4.29Å; F126-I130 HydrophobicContact CZ-CG2 4.48Å; F126-I130 WeakPolarHBondContact O-CG2 3.47Å; F126-I130 PolarHBondContact O-N 2.84Å; F126-M246 HydrophobicContact CD2-CB 4.18Å; F126-M246 WeakPolarHBondContact CD2-O 3.31Å; F126-M246 VanDerWaalsContact CE2-C 3.5Å; F126-M246 HydrophobicContact CE2-CB 3.68Å; F126-K247 HydrophobicContact CE2-CB 4.23Å; F126-Y250 HydrophobicContact CB-CD2 3.78Å; F126-Y250 HydrophobicContact CB-CG 4.41Å; F126-Y250 HydrophobicContact CD2-CG 4.49Å; F126-Y250 HydrophobicContact CG-CD2 4.42Å; F126-L286 HydrophobicContact CB-CD1 4.24Å; F126-L286 HydrophobicContact CD2-CD1 4.44Å
127	V	95.1	Very high	91.4	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.006	6%	0.063	C	C	.	.	H	α-helix	trans	-58	-45.9	178.8	170.3	0	0	0	0	111.7	I74 W86 V91 I97 E123 S124 A131	I74-V127 HydrophobicContact CD1-CG1 4.17Å; W86-V127 HydrophobicContact CH2-CG2 3.63Å; W86-V127 HydrophobicContact CZ2-CG2 4.02Å; V91-V127 HydrophobicContact CG1-CG1 3.9Å; V91-V127 HydrophobicContact CG2-CG1 4.4Å; V91-V127 HydrophobicContact CG2-CG2 4Å; I97-V127 HydrophobicContact CG2-CG1 4.35Å; E123-V127 WeakPolarHBondContact O-CG2 3.23Å; E123-V127 PolarHBondContact O-N 3.41Å; S124-V127 PolarHBondContact O-N 3.49Å; V127-A131 WeakPolarHBondContact O-CB 3.3Å; V127-A131 PolarHBondContact O-N 3.25Å
128	H	94.2	Very high	93.6	Very high	3 Å²	3	12.4 Å²	12.4	1%	0.014	6%	0.057	C	C	.	.	H	α-helix	trans	-63.1	-42.7	178.1	-89.3	-81.2	0	0	0	112.2	S124 A125 F126 S132 E189 R195 N199 N202 N203	S124-H128 PolarHBondContact O-CD2 3.34Å; S124-H128 VanDerWaalsContact O-CD2 3.29Å; S124-H128 PolarHBondContact O-N 3.27Å; S124-H128 VanDerWaalsContact O-N 3.1Å; A125-H128 PolarHBondContact O-N 3.13Å; F126-H128 VanDerWaalsContact C-N 3.35Å; F126-H128 PolarHBondContact O-N 2.94Å; H128-S132 WeakPolarHBondContact O-CB 3.44Å; H128-S132 PolarHBondContact O-N 3.01Å; H128-S132 PolarHBondContact O-OG 2.03Å; H128-E189 IonicContact CE1-OE1 3.94Å; H128-R195 PolarHBondContact NE2-NH2 3.32Å; H128-R195 VanDerWaalsContact NE2-NH2 3.16Å; H128-N199 PolarHBondContact CD2-OD1 3.23Å; H128-N199 VanDerWaalsContact CE1-CG 3.47Å; H128-N199 PolarHBondContact CE1-ND2 3.32Å; H128-N199 VanDerWaalsContact CE1-ND2 3.32Å; H128-N199 PolarHBondContact NE2-ND2 2.86Å; H128-N199 PolarHBondContact NE2-OD1 2.69Å; H128-N202 HydrophobicContact CB-CB 4.32Å; H128-N203 WeakPolarHBondContact CB-OD1 3.15Å; H128-N203 PolarHBondContact ND1-OD1 3.01Å; H128-N203 PolarHBondContact O-OD1 3.35Å
129	A	97.8	Very high	95.2	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-66.4	-51	178.9	0	0	0	0	0	112.3	A125 F126 A131 S132 A133 N202 G206 M246 L286	A125-A129 PolarHBondContact O-N 3.49Å; A125-A129 VanDerWaalsContact O-N 3.15Å; F126-A129 PolarHBondContact O-N 2.87Å; A129-A131 VanDerWaalsContact C-N 3.34Å; A129-A131 PolarHBondContact O-N 2.98Å; A129-S132 PolarHBondContact O-N 3.48Å; A129-A133 WeakPolarHBondContact O-CB 3.38Å; A129-A133 PolarHBondContact O-N 3.48Å; A129-N202 VanDerWaalsContact CA-O 3.25Å; A129-N202 WeakPolarHBondContact CA-O 3.42Å; A129-N202 WeakPolarHBondContact CB-O 3.41Å; A129-G206 WeakPolarHBondContact O-CA 3.35Å; A129-M246 HydrophobicContact CB-CE 3.55Å; A129-L286 HydrophobicContact CB-CD2 3.59Å
130	I	97.9	Very high	96.2	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-68.9	-32.5	-177.6	-160.1	64.4	0	0	0	112.2	G73 E76 C77 F126 G134 F239 I242 M246	G73-I130 WeakPolarHBondContact O-CG2 3.48Å; E76-I130 HydrophobicContact CB-CG1 4.46Å; E76-I130 HydrophobicContact CG-CD1 4.45Å; C77-I130 HydrophobicContact CB-CG2 4.13Å; F126-I130 HydrophobicContact CD1-CG2 4.13Å; F126-I130 HydrophobicContact CE1-CB 4.04Å; F126-I130 HydrophobicContact CE1-CG1 4.39Å; F126-I130 HydrophobicContact CE1-CG2 3.81Å; F126-I130 HydrophobicContact CZ-CB 4.21Å; F126-I130 HydrophobicContact CZ-CG1 4.29Å; F126-I130 HydrophobicContact CZ-CG2 4.48Å; F126-I130 WeakPolarHBondContact O-CG2 3.47Å; F126-I130 PolarHBondContact O-N 2.84Å; I130-G134 PolarHBondContact O-N 3.39Å; I130-F239 HydrophobicContact CD1-CE1 3.79Å; I130-F239 HydrophobicContact CD1-CZ 3.69Å; I130-F239 HydrophobicContact CG1-CE1 4.04Å; I130-F239 HydrophobicContact CG1-CZ 4.08Å; I130-I242 HydrophobicContact CD1-CG2 4.38Å; I130-M246 HydrophobicContact CD1-CB 4.41Å; I130-M246 HydrophobicContact CD1-CG 4.34Å
131	A	95.6	Very high	96.5	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-68	-43.3	173.2	0	0	0	0	0	111.3	I97 F98 V127 A129 G134 V135	I97-A131 HydrophobicContact CG2-CB 4.15Å; F98-A131 HydrophobicContact CE1-CB 3.9Å; F98-A131 HydrophobicContact CZ-CB 3.7Å; V127-A131 WeakPolarHBondContact O-CB 3.3Å; V127-A131 PolarHBondContact O-N 3.25Å; A129-A131 VanDerWaalsContact C-N 3.34Å; A129-A131 PolarHBondContact O-N 2.98Å; A131-G134 PolarHBondContact O-N 3.05Å; A131-V135 WeakPolarHBondContact O-CG2 3.3Å; A131-V135 PolarHBondContact O-N 3.36Å
132	S	97.1	Very high	96.6	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-66	-39.5	177.4	-60.4	0	0	0	0	112	F98 H128 A129 A136 S181 N203	F98-S132 WeakPolarHBondContact CE1-OG 3.38Å; H128-S132 WeakPolarHBondContact O-CB 3.44Å; H128-S132 PolarHBondContact O-N 3.01Å; H128-S132 PolarHBondContact O-OG 2.03Å; A129-S132 PolarHBondContact O-N 3.48Å; S132-A136 PolarHBondContact O-N 3.29Å; S132-A136 VanDerWaalsContact O-N 3.14Å; S132-S181 PolarHBondContact O-OG 3.16Å; S132-N203 WeakPolarHBondContact CB-O 3.38Å; S132-N203 WeakPolarHBondContact OG-CA 3.02Å; S132-N203 VanDerWaalsContact OG-CB 3.27Å; S132-N203 WeakPolarHBondContact OG-CB 3.44Å; S132-N203 PolarHBondContact OG-OD1 3.15Å
133	A	98.4	Very high	96.6	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-62.3	-45.3	171.4	0	0	0	0	0	111	A129 V135 A136 F137 G206 F239 I242	A129-A133 WeakPolarHBondContact O-CB 3.38Å; A129-A133 PolarHBondContact O-N 3.48Å; A133-V135 PolarHBondContact O-N 3.3Å; A133-A136 PolarHBondContact O-N 3.45Å; A133-F137 VanDerWaalsContact O-CB 3.23Å; A133-F137 WeakPolarHBondContact O-CB 3.22Å; A133-F137 PolarHBondContact O-N 3.1Å; A133-G206 VanDerWaalsContact CB-O 3.31Å; A133-G206 WeakPolarHBondContact CB-O 3.3Å; A133-F239 HydrophobicContact CB-CE2 4.25Å; A133-F239 HydrophobicContact CB-CZ 4.35Å; A133-I242 HydrophobicContact CB-CG2 4.07Å
134	G	98.1	Very high	96.7	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-60	-43.5	178.9	0	0	0	0	0	113	G69 I130 A131 F137 A138	G69-G134 VanDerWaalsContact C-C 3.49Å; G69-G134 VanDerWaalsContact CA-C 3.41Å; G69-G134 WeakPolarHBondContact CA-O 3.31Å; G69-G134 CarbonylContact O-C 3.41Å; G69-G134 VanDerWaalsContact O-C 3.24Å; G69-G134 VanDerWaalsContact O-CA 3.25Å; G69-G134 WeakPolarHBondContact O-CA 3.38Å; I130-G134 PolarHBondContact O-N 3.39Å; A131-G134 PolarHBondContact O-N 3.05Å; G134-F137 PolarHBondContact O-N 3.11Å; G134-A138 WeakPolarHBondContact O-CB 3.23Å; G134-A138 PolarHBondContact O-N 3.21Å
135	V	97.4	Very high	96.9	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-60.3	-50.2	173.6	173.8	0	0	0	0	111.3	V66 V70 F98 A131 A133 F137 A138 V139	V66-V135 HydrophobicContact CB-CG1 4.4Å; V66-V135 HydrophobicContact CG1-CG1 3.99Å; V66-V135 HydrophobicContact CG1-CG2 4.27Å; V66-V135 HydrophobicContact CG2-CG1 4.23Å; V70-V135 HydrophobicContact CG2-CG2 3.59Å; F98-V135 HydrophobicContact CE2-CG2 3.96Å; F98-V135 HydrophobicContact CZ-CG2 4.07Å; A131-V135 WeakPolarHBondContact O-CG2 3.3Å; A131-V135 PolarHBondContact O-N 3.36Å; A133-V135 PolarHBondContact O-N 3.3Å; V135-F137 VanDerWaalsContact C-N 3.29Å; V135-F137 PolarHBondContact O-N 2.91Å; V135-A138 PolarHBondContact O-N 3.16Å; V135-V139 HydrophobicContact CG1-CG2 4.38Å; V135-V139 WeakPolarHBondContact O-CB 2.99Å; V135-V139 VanDerWaalsContact O-CG2 3.25Å; V135-V139 WeakPolarHBondContact O-CG2 3.03Å; V135-V139 PolarHBondContact O-N 3.41Å; V135-V139 VanDerWaalsContact O-N 3.07Å
136	A	98.3	Very high	96.7	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.4	-39.6	-179.9	0	0	0	0	0	111.6	S132 A133 T140 G177 L210	S132-A136 PolarHBondContact O-N 3.29Å; S132-A136 VanDerWaalsContact O-N 3.14Å; A133-A136 PolarHBondContact O-N 3.45Å; A136-T140 VanDerWaalsContact O-CB 3.29Å; A136-T140 WeakPolarHBondContact O-CB 3.45Å; A136-T140 PolarHBondContact O-N 3.32Å; A136-T140 PolarHBondContact O-OG1 2.95Å; A136-G177 WeakPolarHBondContact CA-O 2.98Å; A136-L210 HydrophobicContact CB-CD1 3.38Å
137	F	98.5	Very high	96.3	Very high	20 Å²	20	18.3 Å²	18.3	9%	0.088	12%	0.117	C	C	.	.	H	α-helix	trans	-62.7	-53.3	178.3	177.1	-95.4	0	0	0	112.4	I72 A133 G134 V135 T140 R141 L210 Q236 P237 F239	I72-F137 HydrophobicContact CD1-CD1 4.48Å; A133-F137 VanDerWaalsContact O-CB 3.23Å; A133-F137 WeakPolarHBondContact O-CB 3.22Å; A133-F137 PolarHBondContact O-N 3.1Å; G134-F137 PolarHBondContact O-N 3.11Å; V135-F137 VanDerWaalsContact C-N 3.29Å; V135-F137 PolarHBondContact O-N 2.91Å; F137-T140 PolarHBondContact O-N 2.91Å; F137-R141 WeakPolarHBondContact O-CB 3.4Å; F137-R141 PolarHBondContact O-N 3.13Å; F137-L210 HydrophobicContact CB-CD1 4.21Å; F137-L210 HydrophobicContact CB-CD2 4.06Å; F137-L210 HydrophobicContact CD2-CD2 4.01Å; F137-Q236 HydrophobicContact CD2-CB 4.25Å; F137-Q236 VanDerWaalsContact CD2-OE1 3.25Å; F137-Q236 HydrophobicContact CE2-CB 3.99Å; F137-Q236 PolarHBondContact O-NE2 3.15Å; F137-P237 VanDerWaalsContact CE2-O 3.31Å; F137-P237 WeakPolarHBondContact CE2-O 3.5Å; F137-F239 HydrophobicContact CB-CD2 3.86Å; F137-F239 HydrophobicContact CB-CE2 3.89Å; F137-F239 HydrophobicContact CD1-CB 4.38Å; F137-F239 AromaticContact CD1-CD2 3.81Å; F137-F239 HydrophobicContact CD1-CD2 3.81Å; F137-F239 HydrophobicContact CD1-CG 4.36Å; F137-F239 AromaticContact CD2-CD2 3.84Å; F137-F239 HydrophobicContact CD2-CD2 3.84Å; F137-F239 HydrophobicContact CE1-CB 4.05Å; F137-F239 HydrophobicContact CE1-CD2 4.31Å; F137-F239 HydrophobicContact CE2-CB 4.34Å; F137-F239 HydrophobicContact CE2-CD2 4.33Å; F137-F239 AromaticContact CG-CD2 3.55Å; F137-F239 HydrophobicContact CG-CD2 3.55Å; F137-F239 HydrophobicContact CG-CE2 4.12Å; F137-F239 HydrophobicContact CG-CG 4.48Å; F137-F239 HydrophobicContact CZ-CB 4.02Å
138	A	97.8	Very high	95.9	Very high	8 Å²	8	18.4 Å²	18.4	7%	0.066	12%	0.118	C	C	.	.	H	α-helix	trans	-66.8	-39.8	-176.1	0	0	0	0	0	112.4	S65 G69 I72 G134 V135 R141 A142	S65-A138 VanDerWaalsContact O-CB 3.32Å; S65-A138 WeakPolarHBondContact O-CB 3.21Å; G69-A138 VanDerWaalsContact CA-CB 3.42Å; I72-A138 HydrophobicContact CD1-CB 4.18Å; G134-A138 WeakPolarHBondContact O-CB 3.23Å; G134-A138 PolarHBondContact O-N 3.21Å; V135-A138 PolarHBondContact O-N 3.16Å; A138-R141 PolarHBondContact O-N 2.75Å; A138-A142 WeakPolarHBondContact O-CB 3.34Å; A138-A142 PolarHBondContact O-N 3.1Å
139	V	97.4	Very high	95.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-64.7	-46.7	175.6	172	0	0	0	0	110.6	I62 V66 V135 R141 A142 C143 F176 V180	I62-V139 HydrophobicContact CD1-CG1 4.45Å; V66-V139 HydrophobicContact CG2-CG2 3.86Å; V135-V139 HydrophobicContact CG1-CG2 4.38Å; V135-V139 WeakPolarHBondContact O-CB 2.99Å; V135-V139 VanDerWaalsContact O-CG2 3.25Å; V135-V139 WeakPolarHBondContact O-CG2 3.03Å; V135-V139 PolarHBondContact O-N 3.41Å; V135-V139 VanDerWaalsContact O-N 3.07Å; V139-R141 VanDerWaalsContact C-N 3.29Å; V139-R141 PolarHBondContact O-N 2.79Å; V139-A142 PolarHBondContact O-N 3.09Å; V139-C143 PolarHBondContact O-N 3.04Å; V139-C143 PolarHBondContact O-SG 3.28Å; V139-F176 HydrophobicContact CG1-CD1 4.06Å; V139-F176 HydrophobicContact CG1-CE1 3.9Å; V139-V180 HydrophobicContact CB-CG1 4.43Å; V139-V180 HydrophobicContact CG1-CB 4.12Å; V139-V180 HydrophobicContact CG1-CG1 4.11Å; V139-V180 HydrophobicContact CG1-CG2 4.1Å; V139-V180 HydrophobicContact CG2-CG1 3.81Å
140	T	97.9	Very high	95.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-59	-43.1	177.8	-57.1	0	0	0	0	111.5	A136 F137 C143 A144 E172 D173 V174 G177 Q236	A136-T140 VanDerWaalsContact O-CB 3.29Å; A136-T140 WeakPolarHBondContact O-CB 3.45Å; A136-T140 PolarHBondContact O-N 3.32Å; A136-T140 PolarHBondContact O-OG1 2.95Å; F137-T140 PolarHBondContact O-N 2.91Å; T140-C143 PolarHBondContact O-N 3.09Å; T140-A144 PolarHBondContact O-N 3.41Å; T140-E172 HydrophobicContact CG2-CB 3.86Å; T140-D173 VanDerWaalsContact CG2-C 3.47Å; T140-D173 WeakPolarHBondContact CG2-O 3.4Å; T140-D173 PolarHBondContact OG1-O 3.3Å; T140-V174 HydrophobicContact CG2-CG2 3.93Å; T140-G177 WeakPolarHBondContact OG1-CA 3.42Å; T140-Q236 VanDerWaalsContact CB-NE2 3.29Å; T140-Q236 HydrophobicContact CG2-CG 4.45Å
141	R	96.4	Very high	95	Very high	67 Å²	67	29 Å²	29	25%	0.253	18%	0.18	S	C	.	.	H	α-helix	trans	-62.7	-48	177.7	-172.8	68.8	65.4	-176.1	-2.6	111.5	F137 A138 V139 C143 A144 D145 E172 Q236	F137-R141 WeakPolarHBondContact O-CB 3.4Å; F137-R141 PolarHBondContact O-N 3.13Å; A138-R141 PolarHBondContact O-N 2.75Å; V139-R141 VanDerWaalsContact C-N 3.29Å; V139-R141 PolarHBondContact O-N 2.79Å; R141-C143 VanDerWaalsContact C-N 3.29Å; R141-C143 PolarHBondContact O-N 3.24Å; R141-A144 PolarHBondContact O-N 3.24Å; R141-A144 VanDerWaalsContact O-N 3.13Å; R141-D145 VanDerWaalsContact O-CG 3.31Å; R141-D145 PolarHBondContact O-N 2.63Å; R141-E172 IonicContact CZ-OE1 2.73Å; R141-E172 IonicContact CZ-OE2 2.83Å; R141-E172 IonicContact NE-OE2 3.7Å; R141-E172 IonicContact NH1-OE1 3.09Å; R141-E172 PolarHBondContact NH1-OE1 3.05Å; R141-E172 IonicContact NH1-OE2 3.67Å; R141-E172 IonicContact NH2-OE1 2.73Å; R141-E172 IonicContact NH2-OE2 2.69Å; R141-Q236 PolarHBondContact NH2-O 3.03Å
142	A	96.3	Very high	95	Very high	8 Å²	8	30.5 Å²	30.5	7%	0.066	20%	0.195	C	C	.	.	H	α-helix	trans	-57.5	-41	177.4	0	0	0	0	0	112.6	S65 A138 V139 D145 G146 S147	S65-A142 WeakPolarHBondContact OG-CB 3.46Å; A138-A142 WeakPolarHBondContact O-CB 3.34Å; A138-A142 PolarHBondContact O-N 3.1Å; V139-A142 PolarHBondContact O-N 3.09Å; A142-D145 PolarHBondContact O-N 3.5Å; A142-G146 PolarHBondContact O-N 3.43Å; A142-S147 WeakPolarHBondContact CA-OG 3.29Å; A142-S147 WeakPolarHBondContact CB-OG 3.42Å; A142-S147 PolarHBondContact O-N 3.23Å; A142-S147 PolarHBondContact O-OG 2.93Å
143	C	96.3	Very high	94.9	Very high	2 Å²	2	33 Å²	33	1%	0.014	21%	0.213	C	C	.	.	H	α-helix	trans	-64.4	-44.5	174.9	-63.9	0	0	0	0	112.2	V139 T140 R141 D145 G146 C151 G152 F176	V139-C143 PolarHBondContact O-N 3.04Å; V139-C143 PolarHBondContact O-SG 3.28Å; T140-C143 PolarHBondContact O-N 3.09Å; R141-C143 VanDerWaalsContact C-N 3.29Å; R141-C143 PolarHBondContact O-N 3.24Å; C143-D145 VanDerWaalsContact C-N 3.32Å; C143-D145 PolarHBondContact O-N 2.8Å; C143-G146 PolarHBondContact O-N 2.82Å; C143-C151 WeakPolarHBondContact CA-SG 3.31Å; C143-C151 HydrophobicContact CB-CB 3.72Å; C143-C151 WeakPolarHBondContact CB-SG 3.47Å; C143-C151 WeakPolarHBondContact SG-CB 3.44Å; C143-C151 CovalentContact SG-SG 2.02Å; C143-C151 PolarHBondContact SG-SG 2.85Å; C143-G152 WeakPolarHBondContact O-CA 3.5Å; C143-F176 VanDerWaalsContact SG-CD1 3.55Å; C143-F176 WeakPolarHBondContact SG-CE1 3.42Å
144	A	95.8	Very high	94.7	Very high	19 Å²	19	33.7 Å²	33.7	16%	0.157	22%	0.216	C	C	.	.	H	α-helix	trans	-67.4	-32.5	179.3	0	0	0	0	0	113.2	T140 R141 G146 C170 E172	T140-A144 PolarHBondContact O-N 3.41Å; R141-A144 PolarHBondContact O-N 3.24Å; R141-A144 VanDerWaalsContact O-N 3.13Å; A144-G146 PolarHBondContact O-N 2.79Å; A144-C170 PolarHBondContact O-SG 3.39Å; A144-E172 HydrophobicContact CB-CB 4.49Å; A144-E172 HydrophobicContact CB-CG 3.79Å
145	D	94.3	Very high	94.4	Very high	120 Å²	120	40.2 Å²	40.2	64%	0.642	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-8.3	176.3	-66.8	-19.2	0	0	0	112.7	R141 A142 C143 S147	R141-D145 VanDerWaalsContact O-CG 3.31Å; R141-D145 PolarHBondContact O-N 2.63Å; A142-D145 PolarHBondContact O-N 3.5Å; C143-D145 VanDerWaalsContact C-N 3.32Å; C143-D145 PolarHBondContact O-N 2.8Å; D145-S147 VanDerWaalsContact C-N 3.33Å
146	G	92.4	Very high	94.1	Very high	59 Å²	59	45.3 Å²	45.3	61%	0.608	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.9	21.7	-179	0	0	0	0	0	113.7	A142 C143 A144 A148	A142-G146 PolarHBondContact O-N 3.43Å; C143-G146 PolarHBondContact O-N 2.82Å; A144-G146 PolarHBondContact O-N 2.79Å; G146-A148 VanDerWaalsContact C-N 3.28Å; G146-A148 PolarHBondContact O-N 2.88Å
147	S	89.9	Confident	93.4	Very high	77 Å²	77	53.7 Å²	53.7	54%	0.538	31%	0.314	S	S	.	.			trans	-79.3	-9.9	-179.6	75.1	0	0	0	0	113.7	A142 D145	A142-S147 WeakPolarHBondContact CA-OG 3.29Å; A142-S147 WeakPolarHBondContact CB-OG 3.42Å; A142-S147 PolarHBondContact O-N 3.23Å; A142-S147 PolarHBondContact O-OG 2.93Å; D145-S147 VanDerWaalsContact C-N 3.33Å
148	A	86.4	Confident	92.7	Very high	4 Å²	4	55.9 Å²	55.9	3%	0.033	32%	0.324	C	S	.	.			trans	-129.6	135.9	176.7	0	0	0	0	0	110.1	E61 I62 G146 C151	E61-A148 HydrophobicContact CG-CB 4.2Å; E61-A148 WeakPolarHBondContact OE1-CA 3.43Å; I62-A148 HydrophobicContact CG2-CB 3.61Å; G146-A148 VanDerWaalsContact C-N 3.28Å; G146-A148 PolarHBondContact O-N 2.88Å; A148-C151 VanDerWaalsContact O-O 3.05Å
149	T	87.6	Confident	92.2	Very high	124 Å²	124	56.7 Å²	56.7	76%	0.761	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-25.2	-175.5	64.1	0	0	0	0	113.4	E61 C151	E61-T149 VanDerWaalsContact CD-OG1 3.31Å; E61-T149 VanDerWaalsContact OE1-CG2 3.3Å; E61-T149 WeakPolarHBondContact OE1-CG2 3.23Å; E61-T149 PolarHBondContact OE1-N 2.87Å; E61-T149 PolarHBondContact OE1-OG1 3.43Å; E61-T149 PolarHBondContact OE2-N 2.91Å; E61-T149 VanDerWaalsContact OE2-N 3.11Å; E61-T149 PolarHBondContact OE2-OG1 3.13Å; T149-C151 VanDerWaalsContact C-N 3.28Å; T149-C151 PolarHBondContact O-N 2.74Å
150	I	90.1	Very high	91.7	Very high	77 Å²	77	62.4 Å²	62.4	40%	0.395	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-9.1	-177.5	61.1	163.7	0	0	0	114.4	Y59 I62 F176	Y59-I150 HydrophobicContact CD1-CD1 3.62Å; Y59-I150 HydrophobicContact CE1-CD1 4.23Å; I62-I150 HydrophobicContact CD1-CD1 4.12Å; I62-I150 HydrophobicContact CG1-CD1 4.09Å; I62-I150 HydrophobicContact CG2-CD1 3.7Å; I62-I150 HydrophobicContact CG2-CG1 3.94Å; I150-F176 HydrophobicContact CD1-CZ 4.33Å
151	C	94.1	Very high	91.3	Very high	25 Å²	25	65 Å²	65	17%	0.169	39%	0.387	C	S	.	.			trans	-145.3	171.8	-176.9	61.3	0	0	0	0	111	C143 A148 T149 F176	C143-C151 WeakPolarHBondContact CA-SG 3.31Å; C143-C151 HydrophobicContact CB-CB 3.72Å; C143-C151 WeakPolarHBondContact CB-SG 3.47Å; C143-C151 WeakPolarHBondContact SG-CB 3.44Å; C143-C151 CovalentContact SG-SG 2.02Å; C143-C151 PolarHBondContact SG-SG 2.85Å; A148-C151 VanDerWaalsContact O-O 3.05Å; T149-C151 VanDerWaalsContact C-N 3.28Å; T149-C151 PolarHBondContact O-N 2.74Å; C151-F176 HydrophobicContact CB-CD1 3.84Å; C151-F176 HydrophobicContact CB-CD2 4.5Å; C151-F176 HydrophobicContact CB-CE1 3.48Å; C151-F176 VanDerWaalsContact CB-CE1 3.48Å; C151-F176 HydrophobicContact CB-CE2 4.17Å; C151-F176 HydrophobicContact CB-CG 4.35Å; C151-F176 HydrophobicContact CB-CZ 3.66Å
152	G	94.6	Very high	90.9	Very high	30 Å²	30	63.5 Å²	63.5	31%	0.309	39%	0.392	S	S	.	.			trans	-166.8	-154.6	-177.3	0	0	0	0	0	112.3	C143	C143-G152 WeakPolarHBondContact O-CA 3.5Å
153	C	95.4	Very high	90.6	Very high	54 Å²	54	72.5 Å²	72.5	37%	0.365	43%	0.432	S	S	.	.	S	Bend	trans	-69	152.4	172.7	-47.7	0	0	0	0	111.5	T155 C170 S171	C153-T155 PolarHBondContact O-N 3.37Å; C153-C170 HydrophobicContact CB-CB 4.02Å; C153-C170 WeakPolarHBondContact CB-SG 3.36Å; C153-C170 VanDerWaalsContact SG-CA 3.57Å; C153-C170 WeakPolarHBondContact SG-CB 3.33Å; C153-C170 CovalentContact SG-SG 2.02Å; C153-C170 PolarHBondContact SG-SG 2.9Å; C153-S171 CarbonylContact C-O 3.52Å; C153-S171 WeakPolarHBondContact CA-O 3.49Å
154	D	94.9	Very high	90.3	Very high	14 Å²	14	74.9 Å²	74.9	8%	0.075	46%	0.457	C	S	.	.			trans	-63.8	119.1	173.1	-175.1	1.5	0	0	0	111.1	R156 K158 S171 D173	D154-R156 VanDerWaalsContact CG-NE 3.33Å; D154-R156 VanDerWaalsContact OD1-CB 3.23Å; D154-R156 WeakPolarHBondContact OD1-CB 3.31Å; D154-R156 VanDerWaalsContact OD1-CG 3.26Å; D154-R156 WeakPolarHBondContact OD1-CG 3.38Å; D154-R156 IonicContact OD1-CZ 3.75Å; D154-R156 PolarHBondContact OD1-N 3.5Å; D154-R156 IonicContact OD1-NE 3.66Å; D154-R156 PolarHBondContact OD1-NE 3.14Å; D154-R156 IonicContact OD1-NH2 3.51Å; D154-R156 IonicContact OD2-CZ 3.66Å; D154-R156 IonicContact OD2-NE 2.77Å; D154-R156 PolarHBondContact OD2-NE 3.47Å; D154-R156 IonicContact OD2-NH2 3.59Å; D154-R156 PolarHBondContact OD2-NH2 2.89Å; D154-K158 WeakPolarHBondContact O-CE 3.39Å; D154-K158 PolarHBondContact O-NZ 3.35Å; D154-S171 PolarHBondContact N-O 3.33Å; D154-D173 HydrophobicContact CB-CB 4.05Å
155	T	91.2	Very high	90.2	Very high	136 Å²	136	76.1 Å²	76.1	83%	0.834	46%	0.458	S	S	*	.			trans	-97.6	-2.9	-179.3	57.3	0	0	0	0	113.5	C153	C153-T155 PolarHBondContact O-N 3.37Å
156	R	90.4	Very high	90.1	Very high	108 Å²	108	77.6 Å²	77.6	41%	0.408	46%	0.459	S	S	.	.	S	Bend	trans	-65.1	151.9	-177.8	-64.1	172	-64.9	160.5	3.6	111.2	D154 K158 E175	D154-R156 VanDerWaalsContact CG-NE 3.33Å; D154-R156 VanDerWaalsContact OD1-CB 3.23Å; D154-R156 WeakPolarHBondContact OD1-CB 3.31Å; D154-R156 VanDerWaalsContact OD1-CG 3.26Å; D154-R156 WeakPolarHBondContact OD1-CG 3.38Å; D154-R156 IonicContact OD1-CZ 3.75Å; D154-R156 PolarHBondContact OD1-N 3.5Å; D154-R156 IonicContact OD1-NE 3.66Å; D154-R156 PolarHBondContact OD1-NE 3.14Å; D154-R156 IonicContact OD1-NH2 3.51Å; D154-R156 IonicContact OD2-CZ 3.66Å; D154-R156 IonicContact OD2-NE 2.77Å; D154-R156 PolarHBondContact OD2-NE 3.47Å; D154-R156 IonicContact OD2-NH2 3.59Å; D154-R156 PolarHBondContact OD2-NH2 2.89Å; R156-K158 WeakPolarHBondContact O-CE 3.31Å; R156-K158 WeakPolarHBondContact O-CG 3.28Å; R156-K158 PolarHBondContact O-N 3.03Å; R156-E175 IonicContact CZ-OE1 3.83Å; R156-E175 IonicContact CZ-OE2 3.62Å; R156-E175 IonicContact NH1-OE1 2.85Å; R156-E175 PolarHBondContact NH1-OE1 2.83Å; R156-E175 IonicContact NH1-OE2 2.75Å; R156-E175 PolarHBondContact NH1-OE2 2.77Å; R156-E175 IonicContact NH2-OE1 2.67Å
157	H	83.6	Confident	90.3	Very high	176 Å²	176	77.9 Å²	77.9	82%	0.815	44%	0.441	S	S	*	.			trans	-70.3	118.2	-178.8	-174.4	71.4	0	0	0	110.6	G159	H157-G159 PolarHBondContact O-N 3.24Å
158	K	83.8	Confident	90.4	Very high	66 Å²	66	75.6 Å²	75.6	29%	0.287	43%	0.43	S	S	.	.			trans	-91.4	9.2	-171.6	-63.6	142.2	-165.1	-176.7	0	114.1	D154 R156 W167 S171	D154-K158 WeakPolarHBondContact O-CE 3.39Å; D154-K158 PolarHBondContact O-NZ 3.35Å; R156-K158 WeakPolarHBondContact O-CE 3.31Å; R156-K158 WeakPolarHBondContact O-CG 3.28Å; R156-K158 PolarHBondContact O-N 3.03Å; K158-W167 HydrophobicContact CB-CD2 3.76Å; K158-W167 HydrophobicContact CB-CE3 4.18Å; K158-W167 HydrophobicContact CB-CG 4.31Å; K158-W167 HydrophobicContact CB-CH2 3.96Å; K158-W167 HydrophobicContact CB-CZ2 3.51Å; K158-W167 HydrophobicContact CB-CZ3 4.28Å; K158-W167 HydrophobicContact CD-CD2 4.07Å; K158-W167 HydrophobicContact CD-CE3 3.92Å; K158-W167 HydrophobicContact CD-CZ3 4.29Å; K158-W167 HydrophobicContact CG-CD2 4.42Å; K158-W167 HydrophobicContact CG-CE3 4.42Å; K158-W167 HydrophobicContact CG-CH2 4.48Å; K158-W167 HydrophobicContact CG-CZ2 4.47Å; K158-W167 HydrophobicContact CG-CZ3 4.45Å; K158-W167 WeakPolarHBondContact O-CZ2 3.33Å; K158-S171 WeakPolarHBondContact CE-OG 3.48Å; K158-S171 PolarHBondContact NZ-OG 3.41Å
159	G	87.1	Confident	90.7	Very high	24 Å²	24	78.4 Å²	78.4	25%	0.247	46%	0.459	C	S	.	.			trans	70.4	179.8	-173.1	0	0	0	0	0	113.2	H157 W167	H157-G159 PolarHBondContact O-N 3.24Å; G159-W167 PolarHBondContact O-NE1 3.07Å
160	P	87.6	Confident	91.1	Very high	121 Å²	121	74 Å²	74	79%	0.786	43%	0.433	S	S	*	.	S	Bend	trans	-63.4	139.8	175.5	27.5	-33.1	0	0	0	110.3
161	P	89.5	Confident	91.4	Very high	55 Å²	55	70.4 Å²	70.4	36%	0.357	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-67.3	156.3	176.2	31.5	-35.4	0	0	0	110.5	W165	P161-W165 HydrophobicContact CB-CD2 4.21Å; P161-W165 HydrophobicContact CB-CE3 3.89Å; P161-W165 HydrophobicContact CB-CH2 4.17Å; P161-W165 HydrophobicContact CB-CZ2 4.48Å; P161-W165 HydrophobicContact CB-CZ3 3.87Å; P161-W165 WeakPolarHBondContact CB-O 3.48Å
162	G	87.9	Confident	91.5	Very high	35 Å²	35	69.6 Å²	69.6	36%	0.361	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-66.6	171.2	172.3	0	0	0	0	0	112.6	G164 W165	G162-G164 PolarHBondContact O-N 3.41Å; G162-W165 VanDerWaalsContact N-CE2 3.31Å
163	E	89.9	Confident	91.7	Very high	197 Å²	197	69.8 Å²	69.8	92%	0.921	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	133.7	-178	-163.6	178.1	179.8	0	0	111.9
164	G	89.2	Confident	91.7	Very high	52 Å²	52	67.4 Å²	67.4	54%	0.536	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.5	17.1	175.3	0	0	0	0	0	115.9	G162	G162-G164 PolarHBondContact O-N 3.41Å
165	W	93.8	Very high	91.8	Very high	44 Å²	44	71.9 Å²	71.9	17%	0.167	41%	0.407	C	S	.	.			trans	-153.1	168.3	171.7	61	-83.8	0	0	0	113.1	P161 G162 W167 L216 K230 C232	P161-W165 HydrophobicContact CB-CD2 4.21Å; P161-W165 HydrophobicContact CB-CE3 3.89Å; P161-W165 HydrophobicContact CB-CH2 4.17Å; P161-W165 HydrophobicContact CB-CZ2 4.48Å; P161-W165 HydrophobicContact CB-CZ3 3.87Å; P161-W165 WeakPolarHBondContact CB-O 3.48Å; G162-W165 VanDerWaalsContact N-CE2 3.31Å; W165-W167 HydrophobicContact CH2-CD2 4.03Å; W165-W167 AromaticContact CH2-CE2 3.71Å; W165-W167 HydrophobicContact CH2-CE3 4.18Å; W165-W167 AromaticContact CH2-CH2 3.75Å; W165-W167 HydrophobicContact CH2-CH2 3.75Å; W165-W167 AromaticContact CH2-CZ2 3.57Å; W165-W167 HydrophobicContact CH2-CZ2 3.57Å; W165-W167 HydrophobicContact CH2-CZ3 4.05Å; W165-W167 AromaticContact CZ3-CD2 3.64Å; W165-W167 HydrophobicContact CZ3-CD2 3.64Å; W165-W167 AromaticContact CZ3-CE2 3.8Å; W165-W167 AromaticContact CZ3-CE3 3.76Å; W165-W167 HydrophobicContact CZ3-CE3 3.76Å; W165-W167 HydrophobicContact CZ3-CG 4.16Å; W165-W167 HydrophobicContact CZ3-CH2 4.2Å; W165-W167 HydrophobicContact CZ3-CZ2 4.08Å; W165-W167 HydrophobicContact CZ3-CZ3 4.05Å; W165-L216 HydrophobicContact CH2-CD1 4.14Å; W165-L216 HydrophobicContact CH2-CD2 4.16Å; W165-L216 HydrophobicContact CZ2-CD1 3.96Å; W165-K230 WeakPolarHBondContact CA-O 3.26Å; W165-K230 HydrophobicContact CB-CD 4.25Å; W165-K230 HydrophobicContact CB-CG 3.52Å; W165-K230 WeakPolarHBondContact CB-O 2.91Å; W165-C232 HydrophobicContact CD2-CB 4.14Å; W165-C232 HydrophobicContact CE3-CB 3.51Å; W165-C232 HydrophobicContact CH2-CB 4.49Å; W165-C232 HydrophobicContact CZ3-CB 3.73Å
166	K	93.8	Very high	92	Very high	152 Å²	152	67.1 Å²	67.1	66%	0.661	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.9	150.4	175.6	-67.1	-177.7	179.1	178.8	0	111.3	K230 T231 C232	K166-K230 PolarHBondContact N-O 3.44Å; K166-T231 VanDerWaalsContact O-CA 3.27Å; K166-T231 WeakPolarHBondContact O-CA 3.33Å; K166-C232 PolarHBondContact O-N 3.5Å
167	W	95.2	Very high	92.3	Very high	65 Å²	65	62 Å²	62	25%	0.246	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	141.7	168.3	-68.7	113.7	0	0	0	110.8	K158 G159 W165 L216 W234	K158-W167 HydrophobicContact CB-CD2 3.76Å; K158-W167 HydrophobicContact CB-CE3 4.18Å; K158-W167 HydrophobicContact CB-CG 4.31Å; K158-W167 HydrophobicContact CB-CH2 3.96Å; K158-W167 HydrophobicContact CB-CZ2 3.51Å; K158-W167 HydrophobicContact CB-CZ3 4.28Å; K158-W167 HydrophobicContact CD-CD2 4.07Å; K158-W167 HydrophobicContact CD-CE3 3.92Å; K158-W167 HydrophobicContact CD-CZ3 4.29Å; K158-W167 HydrophobicContact CG-CD2 4.42Å; K158-W167 HydrophobicContact CG-CE3 4.42Å; K158-W167 HydrophobicContact CG-CH2 4.48Å; K158-W167 HydrophobicContact CG-CZ2 4.47Å; K158-W167 HydrophobicContact CG-CZ3 4.45Å; K158-W167 WeakPolarHBondContact O-CZ2 3.33Å; G159-W167 PolarHBondContact O-NE1 3.07Å; W165-W167 HydrophobicContact CH2-CD2 4.03Å; W165-W167 AromaticContact CH2-CE2 3.71Å; W165-W167 HydrophobicContact CH2-CE3 4.18Å; W165-W167 AromaticContact CH2-CH2 3.75Å; W165-W167 HydrophobicContact CH2-CH2 3.75Å; W165-W167 AromaticContact CH2-CZ2 3.57Å; W165-W167 HydrophobicContact CH2-CZ2 3.57Å; W165-W167 HydrophobicContact CH2-CZ3 4.05Å; W165-W167 AromaticContact CZ3-CD2 3.64Å; W165-W167 HydrophobicContact CZ3-CD2 3.64Å; W165-W167 AromaticContact CZ3-CE2 3.8Å; W165-W167 AromaticContact CZ3-CE3 3.76Å; W165-W167 HydrophobicContact CZ3-CE3 3.76Å; W165-W167 HydrophobicContact CZ3-CG 4.16Å; W165-W167 HydrophobicContact CZ3-CH2 4.2Å; W165-W167 HydrophobicContact CZ3-CZ2 4.08Å; W165-W167 HydrophobicContact CZ3-CZ3 4.05Å; W167-L216 HydrophobicContact CH2-CD2 3.71Å; W167-L216 HydrophobicContact CZ3-CD2 3.59Å; W167-W234 AromaticContact CH2-CD1 3.92Å; W167-W234 AromaticContact CH2-NE1 3.44Å; W167-W234 AromaticContact CZ3-CD1 3.86Å; W167-W234 AromaticContact CZ3-NE1 3.88Å
168	G	92.5	Very high	93	Very high	29 Å²	29	53.8 Å²	53.8	30%	0.299	32%	0.318	S	S	.	.			trans	174.5	-176.8	171.6	0	0	0	0	0	110.7	C232 W233	G168-C232 PolarHBondContact N-O 2.95Å; G168-W233 WeakPolarHBondContact O-CB 3.48Å
169	G	92.8	Very high	93.6	Very high	63 Å²	63	53.4 Å²	53.4	65%	0.649	32%	0.318	S	S	*	.	S	Bend	trans	72.1	-161	-170.5	0	0	0	0	0	112.5
170	C	95.5	Very high	94.1	Very high	32 Å²	32	52.3 Å²	52.3	22%	0.216	31%	0.306	C	S	.	.			trans	-106.2	104.2	-178.6	-175	0	0	0	0	109.9	A144 C153	A144-C170 PolarHBondContact O-SG 3.39Å; C153-C170 HydrophobicContact CB-CB 4.02Å; C153-C170 WeakPolarHBondContact CB-SG 3.36Å; C153-C170 VanDerWaalsContact SG-CA 3.57Å; C153-C170 WeakPolarHBondContact SG-CB 3.33Å; C153-C170 CovalentContact SG-SG 2.02Å; C153-C170 PolarHBondContact SG-SG 2.9Å
171	S	96.9	Very high	94.5	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.007	27%	0.269	C	S	.	.			trans	-70.7	128.2	167.3	-67.9	0	0	0	0	108.8	C153 D154 K158 W234	C153-S171 CarbonylContact C-O 3.52Å; C153-S171 WeakPolarHBondContact CA-O 3.49Å; D154-S171 PolarHBondContact N-O 3.33Å; K158-S171 WeakPolarHBondContact CE-OG 3.48Å; K158-S171 PolarHBondContact NZ-OG 3.41Å; S171-W234 WeakPolarHBondContact CA-O 3.05Å; S171-W234 PolarHBondContact OG-N 3.14Å
172	E	97.1	Very high	94.8	Very high	8 Å²	8	48.4 Å²	48.4	4%	0.037	27%	0.269	C	S	.	.			trans	-72.9	129.8	179.2	-64.6	-178.5	-141.7	0	0	110.9	T140 R141 A144 V174 M214 W234 S235 Q236	T140-E172 HydrophobicContact CG2-CB 3.86Å; R141-E172 IonicContact CZ-OE1 2.73Å; R141-E172 IonicContact CZ-OE2 2.83Å; R141-E172 IonicContact NE-OE2 3.7Å; R141-E172 IonicContact NH1-OE1 3.09Å; R141-E172 PolarHBondContact NH1-OE1 3.05Å; R141-E172 IonicContact NH1-OE2 3.67Å; R141-E172 IonicContact NH2-OE1 2.73Å; R141-E172 IonicContact NH2-OE2 2.69Å; A144-E172 HydrophobicContact CB-CB 4.49Å; A144-E172 HydrophobicContact CB-CG 3.79Å; E172-V174 PolarHBondContact O-N 2.88Å; E172-M214 HydrophobicContact CB-CE 4.31Å; E172-M214 WeakPolarHBondContact O-CE 3.11Å; E172-W234 PolarHBondContact N-O 3.36Å; E172-S235 WeakPolarHBondContact OE1-CA 3.28Å; E172-S235 PolarHBondContact OE1-OG 3.27Å; E172-Q236 HydrophobicContact CB-CG 4.48Å; E172-Q236 PolarHBondContact OE1-N 3.06Å; E172-Q236 VanDerWaalsContact OE2-CB 3.27Å; E172-Q236 WeakPolarHBondContact OE2-CB 3.37Å; E172-Q236 WeakPolarHBondContact OE2-CG 3.47Å; E172-Q236 PolarHBondContact OE2-N 2.93Å; E172-Q236 PolarHBondContact OE2-NE2 3.15Å
173	D	97	Very high	95.1	Very high	34 Å²	34	51.1 Å²	51.1	18%	0.182	27%	0.272	C	S	.	.			trans	-90.9	80.8	-178.5	-170.7	-10	0	0	0	112.2	T140 D154 E175 F176 G177	T140-D173 VanDerWaalsContact CG2-C 3.47Å; T140-D173 WeakPolarHBondContact CG2-O 3.4Å; T140-D173 PolarHBondContact OG1-O 3.3Å; D154-D173 HydrophobicContact CB-CB 4.05Å; D173-E175 PolarHBondContact O-N 3.46Å; D173-E175 PolarHBondContact OD1-N 3.45Å; D173-F176 HydrophobicContact CB-CB 4.26Å; D173-F176 PolarHBondContact O-N 3.16Å; D173-F176 PolarHBondContact OD1-N 2.91Å; D173-G177 PolarHBondContact O-N 3.07Å
174	V	96.6	Very high	95.3	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.018	23%	0.228	C	C	.	.	H	α-helix	trans	-65.5	-24.6	179.7	176.6	0	0	0	0	112.5	T140 E172 G177 S178 L210 N211 M214 Q236	T140-V174 HydrophobicContact CG2-CG2 3.93Å; E172-V174 PolarHBondContact O-N 2.88Å; V174-G177 PolarHBondContact O-N 2.98Å; V174-S178 VanDerWaalsContact O-CB 3.25Å; V174-S178 WeakPolarHBondContact O-CB 3.46Å; V174-S178 PolarHBondContact O-N 3.2Å; V174-S178 PolarHBondContact O-OG 3.26Å; V174-L210 HydrophobicContact CG1-CB 3.57Å; V174-L210 HydrophobicContact CG1-CD1 4.31Å; V174-N211 WeakPolarHBondContact CG1-OD1 3.27Å; V174-M214 HydrophobicContact CG2-CE 3.73Å; V174-M214 HydrophobicContact CG2-CG 3.94Å; V174-M214 HydrophobicContact CG2-SD 3.43Å; V174-M214 WeakPolarHBondContact CG2-SD 3.48Å; V174-Q236 HydrophobicContact CG2-CG 3.58Å
175	E	95.8	Very high	95.3	Very high	108 Å²	108	39.3 Å²	39.3	51%	0.505	20%	0.203	S	C	.	.	H	α-helix	trans	-69.1	-41.5	177.7	-75.1	-177	-156.4	0	0	111.4	R156 D173 S178 M179	R156-E175 IonicContact CZ-OE1 3.83Å; R156-E175 IonicContact CZ-OE2 3.62Å; R156-E175 IonicContact NH1-OE1 2.85Å; R156-E175 PolarHBondContact NH1-OE1 2.83Å; R156-E175 IonicContact NH1-OE2 2.75Å; R156-E175 PolarHBondContact NH1-OE2 2.77Å; R156-E175 IonicContact NH2-OE1 2.67Å; D173-E175 PolarHBondContact O-N 3.46Å; D173-E175 PolarHBondContact OD1-N 3.45Å; E175-S178 PolarHBondContact O-N 2.84Å; E175-M179 WeakPolarHBondContact O-CB 3.4Å; E175-M179 PolarHBondContact O-N 2.87Å
176	F	96.3	Very high	95.3	Very high	36 Å²	36	38.5 Å²	38.5	16%	0.158	20%	0.202	C	C	.	.	H	α-helix	trans	-60	-48.2	172.6	-178.4	-94	0	0	0	111.6	V139 C143 I150 C151 D173 S178 M179 V180	V139-F176 HydrophobicContact CG1-CD1 4.06Å; V139-F176 HydrophobicContact CG1-CE1 3.9Å; C143-F176 VanDerWaalsContact SG-CD1 3.55Å; C143-F176 WeakPolarHBondContact SG-CE1 3.42Å; I150-F176 HydrophobicContact CD1-CZ 4.33Å; C151-F176 HydrophobicContact CB-CD1 3.84Å; C151-F176 HydrophobicContact CB-CD2 4.5Å; C151-F176 HydrophobicContact CB-CE1 3.48Å; C151-F176 VanDerWaalsContact CB-CE1 3.48Å; C151-F176 HydrophobicContact CB-CE2 4.17Å; C151-F176 HydrophobicContact CB-CG 4.35Å; C151-F176 HydrophobicContact CB-CZ 3.66Å; D173-F176 HydrophobicContact CB-CB 4.26Å; D173-F176 PolarHBondContact O-N 3.16Å; D173-F176 PolarHBondContact OD1-N 2.91Å; F176-S178 VanDerWaalsContact C-N 3.34Å; F176-S178 PolarHBondContact O-N 3.43Å; F176-M179 HydrophobicContact CD2-CE 3.59Å; F176-M179 HydrophobicContact CE2-CE 3.55Å; F176-M179 HydrophobicContact CG-CE 4.37Å; F176-M179 HydrophobicContact CZ-CE 4.31Å; F176-M179 WeakPolarHBondContact O-CB 3.49Å; F176-M179 PolarHBondContact O-N 3.23Å; F176-V180 HydrophobicContact CD1-CG2 4.32Å; F176-V180 HydrophobicContact CE1-CG2 3.84Å; F176-V180 HydrophobicContact CZ-CG2 3.99Å; F176-V180 PolarHBondContact O-N 3.15Å
177	G	97.2	Very high	95.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61.6	-40.7	176.9	0	0	0	0	0	113.1	A136 T140 D173 V174 V180 S181	A136-G177 WeakPolarHBondContact CA-O 2.98Å; T140-G177 WeakPolarHBondContact OG1-CA 3.42Å; D173-G177 PolarHBondContact O-N 3.07Å; V174-G177 PolarHBondContact O-N 2.98Å; G177-V180 PolarHBondContact O-N 3.33Å; G177-S181 WeakPolarHBondContact O-CB 2.93Å; G177-S181 PolarHBondContact O-N 3.01Å
178	S	97.7	Very high	94.5	Very high	4 Å²	4	29.6 Å²	29.6	3%	0.028	17%	0.165	C	C	.	.	H	α-helix	trans	-64.6	-39.1	175.9	-63.4	0	0	0	0	112.1	V174 E175 F176 S181 R182 R207	V174-S178 VanDerWaalsContact O-CB 3.25Å; V174-S178 WeakPolarHBondContact O-CB 3.46Å; V174-S178 PolarHBondContact O-N 3.2Å; V174-S178 PolarHBondContact O-OG 3.26Å; E175-S178 PolarHBondContact O-N 2.84Å; F176-S178 VanDerWaalsContact C-N 3.34Å; F176-S178 PolarHBondContact O-N 3.43Å; S178-S181 PolarHBondContact O-N 2.99Å; S178-R182 VanDerWaalsContact O-CB 3.3Å; S178-R182 WeakPolarHBondContact O-CB 3.5Å; S178-R182 PolarHBondContact O-N 2.86Å; S178-R207 WeakPolarHBondContact O-CD 3.41Å
179	M	96.4	Very high	94.2	Very high	59 Å²	59	28.5 Å²	28.5	29%	0.291	15%	0.153	S	C	.	.	H	α-helix	trans	-62.3	-47.2	174.3	174.2	-82.7	-65.8	0	0	111.3	E175 F176 S181 R182 E183	E175-M179 WeakPolarHBondContact O-CB 3.4Å; E175-M179 PolarHBondContact O-N 2.87Å; F176-M179 HydrophobicContact CD2-CE 3.59Å; F176-M179 HydrophobicContact CE2-CE 3.55Å; F176-M179 HydrophobicContact CG-CE 4.37Å; F176-M179 HydrophobicContact CZ-CE 4.31Å; F176-M179 WeakPolarHBondContact O-CB 3.49Å; F176-M179 PolarHBondContact O-N 3.23Å; M179-S181 PolarHBondContact O-N 2.88Å; M179-R182 PolarHBondContact O-N 2.76Å; M179-E183 PolarHBondContact O-N 3.17Å; M179-E183 HydrophobicContact SD-CG 4.27Å
180	V	96.6	Very high	93.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60	-47.6	176.4	164	0	0	0	0	111.2	F55 I62 V66 V139 F176 G177 R182 E183 F184	F55-V180 HydrophobicContact CE1-CG1 4.38Å; F55-V180 HydrophobicContact CZ-CB 4.36Å; F55-V180 HydrophobicContact CZ-CG1 3.85Å; F55-V180 HydrophobicContact CZ-CG2 4.34Å; I62-V180 HydrophobicContact CD1-CB 4.36Å; I62-V180 HydrophobicContact CD1-CG1 3.85Å; I62-V180 HydrophobicContact CD1-CG2 3.58Å; V66-V180 HydrophobicContact CG2-CG1 3.89Å; V139-V180 HydrophobicContact CB-CG1 4.43Å; V139-V180 HydrophobicContact CG1-CB 4.12Å; V139-V180 HydrophobicContact CG1-CG1 4.11Å; V139-V180 HydrophobicContact CG1-CG2 4.1Å; V139-V180 HydrophobicContact CG2-CG1 3.81Å; F176-V180 HydrophobicContact CD1-CG2 4.32Å; F176-V180 HydrophobicContact CE1-CG2 3.84Å; F176-V180 HydrophobicContact CZ-CG2 3.99Å; F176-V180 PolarHBondContact O-N 3.15Å; G177-V180 PolarHBondContact O-N 3.33Å; V180-R182 VanDerWaalsContact C-N 3.3Å; V180-R182 PolarHBondContact O-N 3.41Å; V180-E183 PolarHBondContact O-N 3.48Å; V180-F184 WeakPolarHBondContact O-CB 3.14Å; V180-F184 PolarHBondContact O-N 3.45Å
181	S	96.8	Very high	93.5	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.007	17%	0.172	C	C	.	.	H	α-helix	trans	-58.7	-42.1	176.3	179.3	0	0	0	0	111.5	S132 G177 S178 M179 F184 A185	S132-S181 PolarHBondContact O-OG 3.16Å; G177-S181 WeakPolarHBondContact O-CB 2.93Å; G177-S181 PolarHBondContact O-N 3.01Å; S178-S181 PolarHBondContact O-N 2.99Å; M179-S181 PolarHBondContact O-N 2.88Å; S181-F184 PolarHBondContact O-N 3.43Å; S181-A185 WeakPolarHBondContact O-CB 3.24Å; S181-A185 PolarHBondContact O-N 3.36Å
182	R	96.4	Very high	93.1	Very high	94 Å²	94	41 Å²	41	36%	0.355	20%	0.195	S	C	.	.	H	α-helix	trans	-63.3	-51.8	176.9	-169.1	175.4	-62.1	114.5	-4.9	113.2	S178 M179 V180 F184 D186 E204	S178-R182 VanDerWaalsContact O-CB 3.3Å; S178-R182 WeakPolarHBondContact O-CB 3.5Å; S178-R182 PolarHBondContact O-N 2.86Å; M179-R182 PolarHBondContact O-N 2.76Å; V180-R182 VanDerWaalsContact C-N 3.3Å; V180-R182 PolarHBondContact O-N 3.41Å; R182-F184 PolarHBondContact O-N 2.86Å; R182-D186 VanDerWaalsContact O-CB 3.25Å; R182-D186 WeakPolarHBondContact O-CB 3.3Å; R182-D186 PolarHBondContact O-N 3.04Å; R182-D186 VanDerWaalsContact O-N 3.08Å; R182-E204 IonicContact CZ-OE1 2.78Å; R182-E204 IonicContact CZ-OE2 3.85Å; R182-E204 IonicContact NE-OE2 3.85Å; R182-E204 PolarHBondContact NE-OE2 2.97Å; R182-E204 VanDerWaalsContact NE-OE2 3.09Å; R182-E204 IonicContact NH2-OE1 2.93Å; R182-E204 PolarHBondContact NH2-OE1 3.42Å; R182-E204 IonicContact NH2-OE2 3.36Å; R182-E204 PolarHBondContact NH2-OE2 3.3Å
183	E	94.6	Very high	92.9	Very high	92 Å²	92	42.6 Å²	42.6	43%	0.43	20%	0.204	S	C	.	.	H	α-helix	trans	-61.9	-33.4	179.3	-75	-62.1	148.5	0	0	112.4	F55 M179 V180 A187	F55-E183 HydrophobicContact CD2-CB 3.65Å; F55-E183 HydrophobicContact CE2-CB 3.54Å; F55-E183 HydrophobicContact CE2-CG 4.39Å; M179-E183 PolarHBondContact O-N 3.17Å; M179-E183 HydrophobicContact SD-CG 4.27Å; V180-E183 PolarHBondContact O-N 3.48Å; E183-A187 VanDerWaalsContact O-CB 3.28Å; E183-A187 WeakPolarHBondContact O-CB 3.17Å
184	F	92.2	Very high	92.7	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-85.3	-51.1	-178.6	-171.8	-96.6	0	0	0	113.9	L48 Q52 F55 M63 V66 L95 F98 V180 S181 R182	L48-F184 HydrophobicContact CD2-CE2 3.81Å; L48-F184 HydrophobicContact CD2-CZ 3.57Å; Q52-F184 HydrophobicContact CB-CD2 4.42Å; Q52-F184 HydrophobicContact CB-CE2 4.1Å; Q52-F184 HydrophobicContact CG-CD2 4.26Å; Q52-F184 HydrophobicContact CG-CE2 4.18Å; Q52-F184 PolarHBondContact NE2-O 3.18Å; F55-F184 HydrophobicContact CD1-CB 4.38Å; F55-F184 AromaticContact CD1-CD2 3.78Å; F55-F184 HydrophobicContact CD1-CD2 3.78Å; F55-F184 HydrophobicContact CE1-CB 4.29Å; F55-F184 HydrophobicContact CE1-CD2 4.21Å; M63-F184 HydrophobicContact CE-CD2 4.46Å; M63-F184 HydrophobicContact CE-CE2 3.79Å; M63-F184 HydrophobicContact CE-CZ 4.25Å; M63-F184 HydrophobicContact SD-CE2 4.47Å; V66-F184 HydrophobicContact CG1-CD1 3.76Å; V66-F184 HydrophobicContact CG1-CD2 4.44Å; V66-F184 HydrophobicContact CG1-CE1 3.84Å; V66-F184 HydrophobicContact CG1-CG 4.07Å; V66-F184 HydrophobicContact CG1-CZ 4.22Å; L95-F184 HydrophobicContact CB-CZ 4.39Å; L95-F184 HydrophobicContact CD1-CZ 4.43Å; L95-F184 HydrophobicContact CD2-CE1 3.84Å; L95-F184 HydrophobicContact CD2-CZ 3.95Å; F98-F184 HydrophobicContact CD2-CD1 4.06Å; F98-F184 AromaticContact CD2-CE1 3.93Å; F98-F184 HydrophobicContact CD2-CE1 3.93Å; F98-F184 HydrophobicContact CE2-CD1 4.31Å; F98-F184 HydrophobicContact CE2-CE1 4.36Å; V180-F184 WeakPolarHBondContact O-CB 3.14Å; V180-F184 PolarHBondContact O-N 3.45Å; S181-F184 PolarHBondContact O-N 3.43Å; R182-F184 PolarHBondContact O-N 2.86Å
185	A	91.1	Very high	92.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-70.5	-44.1	-176.3	0	0	0	0	0	111.6	F98 S181 A187	F98-A185 HydrophobicContact CD1-CB 3.49Å; F98-A185 VanDerWaalsContact CD1-CB 3.49Å; F98-A185 HydrophobicContact CD2-CB 4.35Å; F98-A185 HydrophobicContact CE1-CB 3.54Å; F98-A185 HydrophobicContact CE2-CB 4.36Å; F98-A185 HydrophobicContact CG-CB 3.92Å; F98-A185 HydrophobicContact CZ-CB 3.98Å; S181-A185 WeakPolarHBondContact O-CB 3.24Å; S181-A185 PolarHBondContact O-N 3.36Å; A185-A187 VanDerWaalsContact C-N 3.27Å; A185-A187 PolarHBondContact O-N 3Å
186	D	92.7	Very high	92.2	Very high	27 Å²	27	37.5 Å²	37.5	14%	0.144	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-7.5	-173.8	-56.7	0.5	0	0	0	111.9	R182 R188 E189 N203 R207	R182-D186 VanDerWaalsContact O-CB 3.25Å; R182-D186 WeakPolarHBondContact O-CB 3.3Å; R182-D186 PolarHBondContact O-N 3.04Å; R182-D186 VanDerWaalsContact O-N 3.08Å; D186-R188 PolarHBondContact O-N 2.81Å; D186-E189 PolarHBondContact O-N 3.34Å; D186-N203 PolarHBondContact OD1-ND2 2.9Å; D186-R207 IonicContact OD1-CZ 2.63Å; D186-R207 IonicContact OD1-NH1 2.95Å; D186-R207 PolarHBondContact OD1-NH1 2.95Å; D186-R207 IonicContact OD1-NH2 2.78Å; D186-R207 IonicContact OD2-CZ 3.95Å; D186-R207 IonicContact OD2-NH1 3.88Å; D186-R207 PolarHBondContact OD2-NH1 3.35Å; D186-R207 IonicContact OD2-NH2 3.83Å; D186-R207 PolarHBondContact OD2-NH2 3.07Å
187	A	90	Very high	92.2	Very high	8 Å²	8	36.8 Å²	36.8	7%	0.066	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-23.1	176.4	0	0	0	0	0	114.1	K51 Q52 E183 A185	K51-A187 HydrophobicContact CB-CB 4.1Å; K51-A187 HydrophobicContact CD-CB 3.81Å; K51-A187 HydrophobicContact CG-CB 3.89Å; Q52-A187 HydrophobicContact CG-CB 3.66Å; E183-A187 VanDerWaalsContact O-CB 3.28Å; E183-A187 WeakPolarHBondContact O-CB 3.17Å; A185-A187 VanDerWaalsContact C-N 3.27Å; A185-A187 PolarHBondContact O-N 3Å
188	R	81.4	Confident	92.1	Very high	22 Å²	22	36.8 Å²	36.8	8%	0.083	18%	0.179	C	C	.	.	S	Bend	trans	-94.6	-20.8	177.6	-71.2	-177	64.1	-161.1	14.2	113	V49 Q52 A96 F98 G99 P100 D186 N190	V49-R188 HydrophobicContact CB-CG 4.2Å; V49-R188 HydrophobicContact CG1-CG 3.72Å; V49-R188 HydrophobicContact CG2-CG 3.42Å; V49-R188 VanDerWaalsContact CG2-CG 3.42Å; Q52-R188 VanDerWaalsContact OE1-CD 3.29Å; A96-R188 PolarHBondContact O-NH1 2.85Å; F98-R188 WeakPolarHBondContact O-CB 3.44Å; F98-R188 WeakPolarHBondContact O-CD 3.44Å; F98-R188 WeakPolarHBondContact O-CG 3.07Å; F98-R188 PolarHBondContact O-NE 2.59Å; F98-R188 PolarHBondContact O-NH1 3.24Å; G99-R188 VanDerWaalsContact CA-NH1 3.31Å; G99-R188 PolarHBondContact O-NH2 3.4Å; G99-R188 VanDerWaalsContact O-NH2 3.09Å; P100-R188 VanDerWaalsContact N-NH2 3.13Å; P100-R188 PolarHBondContact O-NH2 3.23Å; D186-R188 PolarHBondContact O-N 2.81Å; R188-N190 VanDerWaalsContact C-N 3.26Å; R188-N190 PolarHBondContact O-N 3.28Å; R188-N190 VanDerWaalsContact O-N 3.15Å
189	E	87.4	Confident	92	Very high	6 Å²	6	36.8 Å²	36.8	3%	0.028	18%	0.179	C	C	.	.			trans	-91.4	45.9	-175.7	-48.8	-57	162.9	0	0	111.2	H128 D186 S196 N199 R200	H128-E189 IonicContact CE1-OE1 3.94Å; D186-E189 PolarHBondContact O-N 3.34Å; E189-S196 WeakPolarHBondContact OE2-CA 3.44Å; E189-N199 VanDerWaalsContact CD-CB 3.43Å; E189-N199 HydrophobicContact CG-CB 3.83Å; E189-N199 PolarHBondContact OE1-ND2 3.11Å; E189-N199 PolarHBondContact OE2-ND2 3.49Å; E189-N199 VanDerWaalsContact OE2-ND2 3.09Å; E189-R200 HydrophobicContact CB-CG 3.57Å; E189-R200 HydrophobicContact CG-CG 4.37Å; E189-R200 WeakPolarHBondContact O-CD 3.25Å; E189-R200 PolarHBondContact O-NH1 2.83Å
190	N	85.6	Confident	92	Very high	130 Å²	130	38.3 Å²	38.3	70%	0.695	18%	0.181	S	C	*	.			trans	-98.7	1.7	-177.9	-164.9	31.3	0	0	0	113.3	R188	R188-N190 VanDerWaalsContact C-N 3.26Å; R188-N190 PolarHBondContact O-N 3.28Å; R188-N190 VanDerWaalsContact O-N 3.15Å
191	R	87.3	Confident	92	Very high	152 Å²	152	40.7 Å²	40.7	57%	0.574	19%	0.192	S	C	*	.	S	Bend	trans	-80	146.1	179	-63.4	-176.5	179.1	-170.3	-1.1	109.8	D193 S196 R200	R191-D193 HydrophobicContact CB-CB 4.48Å; R191-D193 PolarHBondContact O-N 3.02Å; R191-S196 VanDerWaalsContact O-CB 3.28Å; R191-S196 WeakPolarHBondContact O-CB 3.32Å; R191-S196 PolarHBondContact O-OG 3.4Å; R191-R200 PolarHBondContact O-NH1 3.28Å
192	P	89.5	Confident	92.1	Very high	76 Å²	76	40.6 Å²	40.6	49%	0.494	19%	0.191	S	C	.	.	S	Bend	trans	-80.7	43	173.4	35.9	-36.4	0	0	0	111.3	V268 E269	P192-V268 HydrophobicContact CB-CB 4.32Å; P192-V268 HydrophobicContact CB-CG1 4.09Å; P192-V268 HydrophobicContact CB-CG2 3.98Å; P192-E269 PolarHBondContact O-N 3.39Å
193	D	91.3	Very high	92.2	Very high	43 Å²	43	36.1 Å²	36.1	23%	0.23	18%	0.175	C	C	.	.	S	Bend	trans	-108	158.8	178.4	62.4	17.3	0	0	0	111.6	R191 R195 S196 A197 E269	R191-D193 HydrophobicContact CB-CB 4.48Å; R191-D193 PolarHBondContact O-N 3.02Å; D193-R195 PolarHBondContact O-N 3.43Å; D193-S196 PolarHBondContact O-N 2.94Å; D193-S196 WeakPolarHBondContact OD1-CA 3.48Å; D193-S196 WeakPolarHBondContact OD1-CB 3.44Å; D193-S196 PolarHBondContact OD1-N 3.42Å; D193-S196 PolarHBondContact OD1-OG 2.91Å; D193-A197 PolarHBondContact O-N 2.86Å; D193-A197 VanDerWaalsContact O-N 3.11Å; D193-E269 WeakPolarHBondContact CA-OE2 3.48Å
194	A	93.1	Very high	92.4	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.008	16%	0.163	C	C	.	.	H	α-helix	trans	-60.5	-33.9	-177	0	0	0	0	0	111.6	A197 M198 V258 E269 L271 Y289	A194-A197 PolarHBondContact O-N 3.09Å; A194-M198 WeakPolarHBondContact O-CB 3.44Å; A194-M198 PolarHBondContact O-N 2.91Å; A194-V258 HydrophobicContact CB-CB 4.31Å; A194-V258 HydrophobicContact CB-CG1 3.73Å; A194-V258 HydrophobicContact CB-CG2 3.6Å; A194-E269 HydrophobicContact CB-CB 4.06Å; A194-E269 WeakPolarHBondContact CB-OE2 3.41Å; A194-E269 PolarHBondContact N-OE2 2.92Å; A194-L271 HydrophobicContact CB-CD2 4.01Å; A194-Y289 HydrophobicContact CB-CE1 3.94Å
195	R	90.9	Very high	92.7	Very high	33 Å²	33	33.7 Å²	33.7	13%	0.125	16%	0.163	C	C	.	.	H	α-helix	trans	-65	-49.6	179.1	-178.4	65.6	-159.2	-151.8	3.4	111.9	T117 K118 T119 A120 S124 H128 D193 A197 M198 N199	T117-R195 VanDerWaalsContact O-CZ 3.25Å; T117-R195 PolarHBondContact O-NH1 3.43Å; T117-R195 PolarHBondContact O-NH2 2.95Å; K118-R195 PolarHBondContact O-NH1 2.66Å; T119-R195 PolarHBondContact O-NH1 3.11Å; A120-R195 VanDerWaalsContact CA-NH1 3.35Å; S124-R195 PolarHBondContact OG-NH2 3.48Å; H128-R195 PolarHBondContact NE2-NH2 3.32Å; H128-R195 VanDerWaalsContact NE2-NH2 3.16Å; D193-R195 PolarHBondContact O-N 3.43Å; R195-A197 VanDerWaalsContact C-N 3.26Å; R195-A197 PolarHBondContact O-N 2.83Å; R195-M198 VanDerWaalsContact CZ-CE 3.46Å; R195-M198 WeakPolarHBondContact O-CB 3.38Å; R195-M198 PolarHBondContact O-N 3.28Å; R195-N199 PolarHBondContact NE-ND2 3.42Å; R195-N199 PolarHBondContact NE-OD1 2.9Å; R195-N199 PolarHBondContact NH2-OD1 3.25Å; R195-N199 VanDerWaalsContact NH2-OD1 3.1Å; R195-N199 WeakPolarHBondContact O-CB 3.36Å; R195-N199 PolarHBondContact O-N 3.25Å
196	S	92.1	Very high	93	Very high	4 Å²	4	33.7 Å²	33.7	3%	0.028	16%	0.163	C	C	.	.	H	α-helix	trans	-64	-36.5	177.8	-56.9	0	0	0	0	110.8	E189 R191 D193 N199 R200	E189-S196 WeakPolarHBondContact OE2-CA 3.44Å; R191-S196 VanDerWaalsContact O-CB 3.28Å; R191-S196 WeakPolarHBondContact O-CB 3.32Å; R191-S196 PolarHBondContact O-OG 3.4Å; D193-S196 PolarHBondContact O-N 2.94Å; D193-S196 WeakPolarHBondContact OD1-CA 3.48Å; D193-S196 WeakPolarHBondContact OD1-CB 3.44Å; D193-S196 PolarHBondContact OD1-N 3.42Å; D193-S196 PolarHBondContact OD1-OG 2.91Å; S196-N199 PolarHBondContact O-N 3.43Å; S196-R200 VanDerWaalsContact CB-NH1 3.29Å; S196-R200 WeakPolarHBondContact O-CB 3.24Å; S196-R200 VanDerWaalsContact O-CG 3.28Å; S196-R200 WeakPolarHBondContact O-CG 3.4Å; S196-R200 PolarHBondContact O-N 2.57Å
197	A	94.9	Very high	93.3	Very high	20 Å²	20	32.5 Å²	32.5	17%	0.165	16%	0.157	C	C	.	.	H	α-helix	trans	-61.2	-46.3	174.2	0	0	0	0	0	112.3	D193 A194 R195 H201 L271	D193-A197 PolarHBondContact O-N 2.86Å; D193-A197 VanDerWaalsContact O-N 3.11Å; A194-A197 PolarHBondContact O-N 3.09Å; R195-A197 VanDerWaalsContact C-N 3.26Å; R195-A197 PolarHBondContact O-N 2.83Å; A197-H201 PolarHBondContact O-N 3.25Å; A197-H201 VanDerWaalsContact O-N 3.17Å; A197-L271 HydrophobicContact CB-CD1 4.23Å; A197-L271 HydrophobicContact CB-CG 4.28Å
198	M	96.5	Very high	93.7	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61.2	-49.1	175.9	-169.9	-163.1	74.1	0	0	111.5	A120 A194 R195 H201 N202 L271 V287 Y289	A120-M198 HydrophobicContact CB-CE 4.15Å; A120-M198 HydrophobicContact CB-SD 3.63Å; A194-M198 WeakPolarHBondContact O-CB 3.44Å; A194-M198 PolarHBondContact O-N 2.91Å; R195-M198 VanDerWaalsContact CZ-CE 3.46Å; R195-M198 WeakPolarHBondContact O-CB 3.38Å; R195-M198 PolarHBondContact O-N 3.28Å; M198-H201 PolarHBondContact O-N 3Å; M198-N202 WeakPolarHBondContact CG-ND2 3.38Å; M198-N202 PolarHBondContact O-N 2.99Å; M198-N202 PolarHBondContact O-ND2 2.97Å; M198-N202 VanDerWaalsContact O-ND2 3.16Å; M198-L271 HydrophobicContact CB-CD1 3.77Å; M198-L271 HydrophobicContact CG-CD1 4.4Å; M198-V287 HydrophobicContact CG-CG2 4.07Å; M198-V287 VanDerWaalsContact CG-O 3.27Å; M198-V287 WeakPolarHBondContact CG-O 3.45Å; M198-Y289 HydrophobicContact CB-CD1 4.39Å; M198-Y289 HydrophobicContact CB-CE1 4.16Å; M198-Y289 HydrophobicContact CG-CD1 4.49Å; M198-Y289 HydrophobicContact SD-CD1 4.11Å; M198-Y289 HydrophobicContact SD-CE1 4.12Å
199	N	94.8	Very high	94.4	Very high	5 Å²	5	32 Å²	32	3%	0.027	16%	0.155	C	C	.	.	H	α-helix	trans	-61.7	-46.6	-178.1	-75	-3	0	0	0	111.5	H128 E189 R195 S196 H201 N202 N203	H128-N199 PolarHBondContact CD2-OD1 3.23Å; H128-N199 VanDerWaalsContact CE1-CG 3.47Å; H128-N199 PolarHBondContact CE1-ND2 3.32Å; H128-N199 VanDerWaalsContact CE1-ND2 3.32Å; H128-N199 PolarHBondContact NE2-ND2 2.86Å; H128-N199 PolarHBondContact NE2-OD1 2.69Å; E189-N199 VanDerWaalsContact CD-CB 3.43Å; E189-N199 HydrophobicContact CG-CB 3.83Å; E189-N199 PolarHBondContact OE1-ND2 3.11Å; E189-N199 PolarHBondContact OE2-ND2 3.49Å; E189-N199 VanDerWaalsContact OE2-ND2 3.09Å; R195-N199 PolarHBondContact NE-ND2 3.42Å; R195-N199 PolarHBondContact NE-OD1 2.9Å; R195-N199 PolarHBondContact NH2-OD1 3.25Å; R195-N199 VanDerWaalsContact NH2-OD1 3.1Å; R195-N199 WeakPolarHBondContact O-CB 3.36Å; R195-N199 PolarHBondContact O-N 3.25Å; S196-N199 PolarHBondContact O-N 3.43Å; N199-H201 VanDerWaalsContact C-N 3.34Å; N199-H201 PolarHBondContact O-N 3.37Å; N199-N202 PolarHBondContact O-N 2.75Å; N199-N203 VanDerWaalsContact O-CB 3.28Å; N199-N203 WeakPolarHBondContact O-CB 3.38Å; N199-N203 PolarHBondContact O-N 3.28Å; N199-N203 PolarHBondContact O-ND2 3.28Å; N199-N203 PolarHBondContact O-OD1 3.06Å
200	R	96.1	Very high	94.9	Very high	91 Å²	91	31.7 Å²	31.7	34%	0.343	15%	0.154	S	C	.	.	H	α-helix	trans	-59.1	-43.7	176.6	-72.4	-174.1	-54.1	-98.1	0.8	112.2	E189 R191 S196 E204	E189-R200 HydrophobicContact CB-CG 3.57Å; E189-R200 HydrophobicContact CG-CG 4.37Å; E189-R200 WeakPolarHBondContact O-CD 3.25Å; E189-R200 PolarHBondContact O-NH1 2.83Å; R191-R200 PolarHBondContact O-NH1 3.28Å; S196-R200 VanDerWaalsContact CB-NH1 3.29Å; S196-R200 WeakPolarHBondContact O-CB 3.24Å; S196-R200 VanDerWaalsContact O-CG 3.28Å; S196-R200 WeakPolarHBondContact O-CG 3.4Å; S196-R200 PolarHBondContact O-N 2.57Å; R200-E204 WeakPolarHBondContact O-CB 3.38Å; R200-E204 PolarHBondContact O-N 3.42Å
201	H	98	Very high	95.3	Very high	49 Å²	49	28.8 Å²	28.8	23%	0.227	14%	0.138	C	C	.	.	H	α-helix	trans	-61.3	-50.5	178	-177.5	95.4	0	0	0	111.5	A197 M198 N199 N203 E204 A205 T282 D285 V287	A197-H201 PolarHBondContact O-N 3.25Å; A197-H201 VanDerWaalsContact O-N 3.17Å; M198-H201 PolarHBondContact O-N 3Å; N199-H201 VanDerWaalsContact C-N 3.34Å; N199-H201 PolarHBondContact O-N 3.37Å; H201-N203 PolarHBondContact O-N 2.84Å; H201-E204 PolarHBondContact O-N 3.01Å; H201-A205 PolarHBondContact O-N 3.01Å; H201-T282 PolarHBondContact CE1-O 3.27Å; H201-T282 VanDerWaalsContact CE1-O 3.25Å; H201-T282 PolarHBondContact NE2-O 3.42Å; H201-D285 PolarHBondContact CD2-O 2.92Å; H201-D285 PolarHBondContact NE2-O 3.03Å; H201-V287 HydrophobicContact CB-CG2 4Å; H201-V287 VanDerWaalsContact CD2-CG2 3.41Å; H201-V287 WeakPolarHBondContact CD2-CG2 3.35Å; H201-V287 WeakPolarHBondContact NE2-CG1 3.38Å
202	N	98.3	Very high	95.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-68.2	-36.9	-178.7	-67	-35.2	0	0	0	112.4	A125 H128 A129 M198 N199 E204 A205 G206 L286 V287	A125-N202 WeakPolarHBondContact CA-ND2 3.32Å; A125-N202 WeakPolarHBondContact CB-ND2 3.37Å; H128-N202 HydrophobicContact CB-CB 4.32Å; A129-N202 VanDerWaalsContact CA-O 3.25Å; A129-N202 WeakPolarHBondContact CA-O 3.42Å; A129-N202 WeakPolarHBondContact CB-O 3.41Å; M198-N202 WeakPolarHBondContact CG-ND2 3.38Å; M198-N202 PolarHBondContact O-N 2.99Å; M198-N202 PolarHBondContact O-ND2 2.97Å; M198-N202 VanDerWaalsContact O-ND2 3.16Å; N199-N202 PolarHBondContact O-N 2.75Å; N202-E204 VanDerWaalsContact C-N 3.29Å; N202-E204 PolarHBondContact O-N 2.83Å; N202-A205 PolarHBondContact O-N 2.98Å; N202-G206 PolarHBondContact O-N 2.03Å; N202-L286 HydrophobicContact CB-CD2 4.05Å; N202-L286 WeakPolarHBondContact OD1-CA 3.27Å; N202-L286 WeakPolarHBondContact OD1-CD2 3.44Å; N202-V287 PolarHBondContact ND2-O 3.27Å; N202-V287 PolarHBondContact OD1-N 2.99Å; N202-V287 PolarHBondContact OD1-O 3.13Å
203	N	97.9	Very high	96.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-58.7	-43.6	172.5	-69.8	-8.7	0	0	0	110.7	H128 S132 D186 N199 H201 G206 R207	H128-N203 WeakPolarHBondContact CB-OD1 3.15Å; H128-N203 PolarHBondContact ND1-OD1 3.01Å; H128-N203 PolarHBondContact O-OD1 3.35Å; S132-N203 WeakPolarHBondContact CB-O 3.38Å; S132-N203 WeakPolarHBondContact OG-CA 3.02Å; S132-N203 VanDerWaalsContact OG-CB 3.27Å; S132-N203 WeakPolarHBondContact OG-CB 3.44Å; S132-N203 PolarHBondContact OG-OD1 3.15Å; D186-N203 PolarHBondContact OD1-ND2 2.9Å; N199-N203 VanDerWaalsContact O-CB 3.28Å; N199-N203 WeakPolarHBondContact O-CB 3.38Å; N199-N203 PolarHBondContact O-N 3.28Å; N199-N203 PolarHBondContact O-ND2 3.28Å; N199-N203 PolarHBondContact O-OD1 3.06Å; H201-N203 PolarHBondContact O-N 2.84Å; N203-G206 PolarHBondContact O-N 3.33Å; N203-R207 WeakPolarHBondContact O-CG 3.36Å; N203-R207 PolarHBondContact O-N 2.86Å
204	E	98.2	Very high	96.3	Very high	40 Å²	40	22.7 Å²	22.7	19%	0.187	11%	0.113	C	C	.	.	H	α-helix	trans	-65.9	-43.8	177.2	-169.8	61	-158.2	0	0	112.3	R182 R200 H201 N202 G206 R207 T208	R182-E204 IonicContact CZ-OE1 2.78Å; R182-E204 IonicContact CZ-OE2 3.85Å; R182-E204 IonicContact NE-OE2 3.85Å; R182-E204 PolarHBondContact NE-OE2 2.97Å; R182-E204 VanDerWaalsContact NE-OE2 3.09Å; R182-E204 IonicContact NH2-OE1 2.93Å; R182-E204 PolarHBondContact NH2-OE1 3.42Å; R182-E204 IonicContact NH2-OE2 3.36Å; R182-E204 PolarHBondContact NH2-OE2 3.3Å; R200-E204 WeakPolarHBondContact O-CB 3.38Å; R200-E204 PolarHBondContact O-N 3.42Å; H201-E204 PolarHBondContact O-N 3.01Å; N202-E204 VanDerWaalsContact C-N 3.29Å; N202-E204 PolarHBondContact O-N 2.83Å; E204-G206 PolarHBondContact O-N 3.45Å; E204-R207 PolarHBondContact O-N 3.09Å; E204-R207 VanDerWaalsContact O-N 3.11Å; E204-R207 IonicContact OE2-CZ 2.91Å; E204-R207 VanDerWaalsContact OE2-CZ 3.25Å; E204-R207 IonicContact OE2-NE 2.74Å; E204-R207 PolarHBondContact OE2-NE 2.94Å; E204-R207 IonicContact OE2-NH2 3.7Å; E204-R207 PolarHBondContact OE2-NH2 2.94Å; E204-T208 WeakPolarHBondContact O-CB 3.2Å; E204-T208 PolarHBondContact O-N 3.4Å; E204-T208 PolarHBondContact O-OG1 2.87Å; E204-T208 VanDerWaalsContact O-OG1 3.06Å
205	A	98.6	Very high	96.5	Very high	1 Å²	1	27 Å²	27	1%	0.008	13%	0.131	C	C	.	.	H	α-helix	trans	-56.2	-41.9	174.7	0	0	0	0	0	111.8	H201 N202 S209 E283 D285 L286	H201-A205 PolarHBondContact O-N 3.01Å; N202-A205 PolarHBondContact O-N 2.98Å; A205-S209 PolarHBondContact O-N 2.74Å; A205-S209 VanDerWaalsContact O-N 3.08Å; A205-E283 WeakPolarHBondContact CA-O 3.25Å; A205-E283 WeakPolarHBondContact CB-O 3.16Å; A205-E283 PolarHBondContact N-O 3.1Å; A205-D285 WeakPolarHBondContact CB-O 3.47Å; A205-L286 HydrophobicContact CB-CD2 4.12Å
206	G	98.4	Very high	96.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60.8	-48.5	173.2	0	0	0	0	0	113.2	A129 A133 N202 N203 E204 S209	A129-G206 WeakPolarHBondContact O-CA 3.35Å; A133-G206 VanDerWaalsContact CB-O 3.31Å; A133-G206 WeakPolarHBondContact CB-O 3.3Å; N202-G206 PolarHBondContact O-N 2.03Å; N203-G206 PolarHBondContact O-N 3.33Å; E204-G206 PolarHBondContact O-N 3.45Å; G206-S209 WeakPolarHBondContact O-CB 3.37Å; G206-S209 PolarHBondContact O-N 3.39Å; G206-S209 PolarHBondContact O-OG 3.07Å
207	R	98.3	Very high	96.8	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.008	16%	0.161	C	C	.	.	H	α-helix	trans	-63	-45.3	178.4	-69.5	-179.8	-69.1	-116	10.2	112	S178 D186 N203 E204 S209 L210	S178-R207 WeakPolarHBondContact O-CD 3.41Å; D186-R207 IonicContact OD1-CZ 2.63Å; D186-R207 IonicContact OD1-NH1 2.95Å; D186-R207 PolarHBondContact OD1-NH1 2.95Å; D186-R207 IonicContact OD1-NH2 2.78Å; D186-R207 IonicContact OD2-CZ 3.95Å; D186-R207 IonicContact OD2-NH1 3.88Å; D186-R207 PolarHBondContact OD2-NH1 3.35Å; D186-R207 IonicContact OD2-NH2 3.83Å; D186-R207 PolarHBondContact OD2-NH2 3.07Å; N203-R207 WeakPolarHBondContact O-CG 3.36Å; N203-R207 PolarHBondContact O-N 2.86Å; E204-R207 PolarHBondContact O-N 3.09Å; E204-R207 VanDerWaalsContact O-N 3.11Å; E204-R207 IonicContact OE2-CZ 2.91Å; E204-R207 VanDerWaalsContact OE2-CZ 3.25Å; E204-R207 IonicContact OE2-NE 2.74Å; E204-R207 PolarHBondContact OE2-NE 2.94Å; E204-R207 IonicContact OE2-NH2 3.7Å; E204-R207 PolarHBondContact OE2-NH2 2.94Å; R207-S209 PolarHBondContact O-N 2.61Å; R207-L210 PolarHBondContact O-N 3.01Å
208	T	98	Very high	96.9	Very high	18 Å²	18	34.9 Å²	34.9	11%	0.11	17%	0.172	C	C	.	.	H	α-helix	trans	-63.5	-31.3	-179.8	-61	0	0	0	0	112.2	E204 L210 N211 D212 R284	E204-T208 WeakPolarHBondContact O-CB 3.2Å; E204-T208 PolarHBondContact O-N 3.4Å; E204-T208 PolarHBondContact O-OG1 2.87Å; E204-T208 VanDerWaalsContact O-OG1 3.06Å; T208-L210 PolarHBondContact O-N 3.38Å; T208-L210 VanDerWaalsContact O-N 3.15Å; T208-N211 PolarHBondContact O-N 3.37Å; T208-N211 VanDerWaalsContact O-N 3.09Å; T208-D212 PolarHBondContact O-N 3.14Å; T208-R284 HydrophobicContact CG2-CG 3.93Å
209	S	98	Very high	96.8	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.007	20%	0.196	C	C	.	.	H	α-helix	trans	-57.2	-29.8	176.2	77.6	0	0	0	0	113.7	A205 G206 R207 N213 I242	A205-S209 PolarHBondContact O-N 2.74Å; A205-S209 VanDerWaalsContact O-N 3.08Å; G206-S209 WeakPolarHBondContact O-CB 3.37Å; G206-S209 PolarHBondContact O-N 3.39Å; G206-S209 PolarHBondContact O-OG 3.07Å; R207-S209 PolarHBondContact O-N 2.61Å; S209-N213 WeakPolarHBondContact O-CB 3.23Å; S209-N213 PolarHBondContact O-N 2.96Å; S209-N213 PolarHBondContact O-ND2 2.81Å; S209-I242 WeakPolarHBondContact OG-CG2 3.41Å
210	L	97.4	Very high	96.9	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-69	-49.2	175.5	-65.7	172.4	0	0	0	111.1	A136 F137 V174 R207 T208 D212 N213 M214 I242	A136-L210 HydrophobicContact CB-CD1 3.38Å; F137-L210 HydrophobicContact CB-CD1 4.21Å; F137-L210 HydrophobicContact CB-CD2 4.06Å; F137-L210 HydrophobicContact CD2-CD2 4.01Å; V174-L210 HydrophobicContact CG1-CB 3.57Å; V174-L210 HydrophobicContact CG1-CD1 4.31Å; R207-L210 PolarHBondContact O-N 3.01Å; T208-L210 PolarHBondContact O-N 3.38Å; T208-L210 VanDerWaalsContact O-N 3.15Å; L210-D212 VanDerWaalsContact C-N 3.3Å; L210-D212 PolarHBondContact O-N 3.39Å; L210-N213 PolarHBondContact O-N 3.4Å; L210-N213 VanDerWaalsContact O-N 3.16Å; L210-M214 WeakPolarHBondContact O-CG 3.41Å; L210-M214 PolarHBondContact O-N 2.91Å; L210-M214 VanDerWaalsContact O-N 3.13Å; L210-I242 HydrophobicContact CD2-CD1 3.88Å; L210-I242 HydrophobicContact CD2-CG1 3.78Å; L210-I242 HydrophobicContact CD2-CG2 4.47Å
211	N	94.4	Very high	96.8	Very high	68 Å²	68	42.9 Å²	42.9	36%	0.364	21%	0.214	S	C	.	.	H	α-helix	trans	-59.2	-42.7	179	-71.8	-45.9	0	0	0	111.6	V174 T208 N213	V174-N211 WeakPolarHBondContact CG1-OD1 3.27Å; T208-N211 PolarHBondContact O-N 3.37Å; T208-N211 VanDerWaalsContact O-N 3.09Å; N211-N213 VanDerWaalsContact C-N 3.26Å; N211-N213 PolarHBondContact O-N 3.4Å
212	D	95.8	Very high	96.5	Very high	67 Å²	67	41.2 Å²	41.2	36%	0.358	21%	0.211	S	C	.	.	H	α-helix	trans	-68.8	-22.4	-179.3	-69.2	-26.4	0	0	0	113.1	T208 L210 R284	T208-D212 PolarHBondContact O-N 3.14Å; L210-D212 VanDerWaalsContact C-N 3.3Å; L210-D212 PolarHBondContact O-N 3.39Å; D212-R284 IonicContact OD1-CZ 3.29Å; D212-R284 IonicContact OD1-NE 3.37Å; D212-R284 PolarHBondContact OD1-NE 3.1Å; D212-R284 IonicContact OD1-NH2 3.22Å; D212-R284 PolarHBondContact OD1-NH2 3.48Å; D212-R284 VanDerWaalsContact OD1-NH2 3.16Å; D212-R284 WeakPolarHBondContact OD2-CD 3.49Å; D212-R284 IonicContact OD2-CZ 2.79Å; D212-R284 IonicContact OD2-NE 3.57Å; D212-R284 PolarHBondContact OD2-NE 3.37Å
213	N	97.4	Very high	96.3	Very high	43 Å²	43	48.6 Å²	48.6	23%	0.23	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	9.8	-177.5	-70.9	-83.5	0	0	0	113.8	S209 L210 N211 P237 I242	S209-N213 WeakPolarHBondContact O-CB 3.23Å; S209-N213 PolarHBondContact O-N 2.96Å; S209-N213 PolarHBondContact O-ND2 2.81Å; L210-N213 PolarHBondContact O-N 3.4Å; L210-N213 VanDerWaalsContact O-N 3.16Å; N211-N213 VanDerWaalsContact C-N 3.26Å; N211-N213 PolarHBondContact O-N 3.4Å; N213-P237 HydrophobicContact CB-CG 4.12Å; N213-P237 WeakPolarHBondContact O-CD 3.4Å; N213-I242 HydrophobicContact CB-CD1 3.82Å
214	M	95.8	Very high	96	Very high	34 Å²	34	54.7 Å²	54.7	17%	0.167	29%	0.292	C	S	.	.			trans	-62.2	138.8	170.3	-78.6	-71.2	-86.4	0	0	110.5	E172 V174 L210 W234 S235 Q236	E172-M214 HydrophobicContact CB-CE 4.31Å; E172-M214 WeakPolarHBondContact O-CE 3.11Å; V174-M214 HydrophobicContact CG2-CE 3.73Å; V174-M214 HydrophobicContact CG2-CG 3.94Å; V174-M214 HydrophobicContact CG2-SD 3.43Å; V174-M214 WeakPolarHBondContact CG2-SD 3.48Å; L210-M214 WeakPolarHBondContact O-CG 3.41Å; L210-M214 PolarHBondContact O-N 2.91Å; L210-M214 VanDerWaalsContact O-N 3.13Å; M214-W234 HydrophobicContact CB-CE3 4.11Å; M214-W234 HydrophobicContact CB-CZ3 4.38Å; M214-W234 HydrophobicContact CE-CB 3.7Å; M214-S235 VanDerWaalsContact SD-O 3.41Å; M214-Q236 HydrophobicContact SD-CB 4.2Å; M214-Q236 HydrophobicContact SD-CG 3.55Å; M214-Q236 VanDerWaalsContact SD-CG 3.55Å
215	F	95.8	Very high	95.6	Very high	90 Å²	90	55.4 Å²	55.4	40%	0.395	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	157.5	-179.6	72.1	-78.1	0	0	0	112.1	K217 S235 P237	F215-K217 HydrophobicContact CE2-CB 4.04Å; F215-K217 HydrophobicContact CE2-CG 4.47Å; F215-K217 PolarHBondContact O-N 3.43Å; F215-S235 VanDerWaalsContact CD1-O 3.27Å; F215-S235 WeakPolarHBondContact CD1-O 3.43Å; F215-S235 WeakPolarHBondContact CE1-O 3.32Å; F215-S235 PolarHBondContact N-O 3.27Å; F215-S235 VanDerWaalsContact N-O 3.16Å; F215-S235 PolarHBondContact O-N 3.24Å; F215-P237 HydrophobicContact CD1-CB 4.39Å; F215-P237 HydrophobicContact CE1-CB 4.19Å
216	L	95.1	Very high	95.4	Very high	70 Å²	70	57 Å²	57	37%	0.366	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	116	173.6	-81.5	171.5	0	0	0	110	W165 W167 C232 W234	W165-L216 HydrophobicContact CH2-CD1 4.14Å; W165-L216 HydrophobicContact CH2-CD2 4.16Å; W165-L216 HydrophobicContact CZ2-CD1 3.96Å; W167-L216 HydrophobicContact CH2-CD2 3.71Å; W167-L216 HydrophobicContact CZ3-CD2 3.59Å; L216-C232 HydrophobicContact CD2-CB 4.23Å; L216-W234 HydrophobicContact CD2-CD2 4.23Å; L216-W234 HydrophobicContact CG-CE3 4.36Å; L216-W234 HydrophobicContact CG-CH2 4.21Å; L216-W234 HydrophobicContact CG-CZ2 4.35Å; L216-W234 HydrophobicContact CG-CZ3 4.22Å
217	K	96	Very high	95.2	Very high	98 Å²	98	60.5 Å²	60.5	43%	0.426	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	129	170.5	-169.9	174.4	-170	175.4	0	108.9	F215 C232 W233	F215-K217 HydrophobicContact CE2-CB 4.04Å; F215-K217 HydrophobicContact CE2-CG 4.47Å; F215-K217 PolarHBondContact O-N 3.43Å; K217-C232 CarbonylContact O-C 3.52Å; K217-C232 WeakPolarHBondContact O-CA 3.28Å; K217-W233 HydrophobicContact CD-CZ2 4.28Å; K217-W233 HydrophobicContact CG-CZ2 4.3Å; K217-W233 PolarHBondContact N-O 3.04Å; K217-W233 PolarHBondContact O-N 3.11Å
218	C	95.4	Very high	95	Very high	56 Å²	56	68.3 Å²	68.3	38%	0.378	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	146.7	-178.3	-57.1	0	0	0	0	111.5	K230 T231 C232	C218-K230 HydrophobicContact CB-CD 4.42Å; C218-T231 CarbonylContact C-O 3.55Å; C218-T231 VanDerWaalsContact CA-O 3.27Å; C218-T231 WeakPolarHBondContact CA-O 3.04Å; C218-C232 HydrophobicContact CB-CB 4.03Å; C218-C232 WeakPolarHBondContact CB-SG 3.49Å; C218-C232 WeakPolarHBondContact SG-CB 3.28Å; C218-C232 CovalentContact SG-SG 2.04Å; C218-C232 PolarHBondContact SG-SG 2.71Å
219	K	95.9	Very high	94.7	Very high	120 Å²	120	71.9 Å²	71.9	52%	0.522	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	132.4	169.4	-175.4	173.5	179.2	179.2	0	110	H221 K230 T231 W233	K219-H221 PolarHBondContact O-CD2 3.03Å; K219-K230 VanDerWaalsContact O-CA 3.22Å; K219-K230 WeakPolarHBondContact O-CA 3.35Å; K219-K230 WeakPolarHBondContact O-CB 3.48Å; K219-T231 PolarHBondContact N-O 3.07Å; K219-T231 PolarHBondContact O-N 3.38Å; K219-W233 HydrophobicContact CB-CH2 3.68Å; K219-W233 HydrophobicContact CB-CZ3 3.91Å
220	C	95.9	Very high	94.6	Very high	41 Å²	41	75 Å²	75	28%	0.277	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	136.7	179.4	-59.1	0	0	0	0	110.4	C227	C220-C227 HydrophobicContact CB-CB 3.88Å; C220-C227 WeakPolarHBondContact CB-SG 3.43Å; C220-C227 VanDerWaalsContact SG-CA 3.56Å; C220-C227 WeakPolarHBondContact SG-CB 3.48Å; C220-C227 CovalentContact SG-SG 2.03Å; C220-C227 PolarHBondContact SG-SG 2.78Å
221	H	93.6	Very high	94.5	Very high	102 Å²	102	76.6 Å²	76.6	47%	0.472	43%	0.426	S	S	.	.			trans	-129.3	6.6	-172.7	-62.7	-72.1	0	0	0	113	K219 V229	K219-H221 PolarHBondContact O-CD2 3.03Å; H221-V229 PolarHBondContact N-O 3.3Å
222	G	92.5	Very high	94.6	Very high	14 Å²	14	73.3 Å²	73.3	14%	0.144	41%	0.409	C	S	.	.	S	Bend	trans	-71.5	170.8	179.5	0	0	0	0	0	113.1	S224 G225 S226	G222-S224 PolarHBondContact O-N 3.45Å; G222-G225 PolarHBondContact O-N 3.45Å; G222-S226 WeakPolarHBondContact CA-O 3.45Å; G222-S226 VanDerWaalsContact CA-OG 3.29Å; G222-S226 WeakPolarHBondContact CA-OG 3.49Å; G222-S226 PolarHBondContact N-O 3.2Å; G222-S226 PolarHBondContact O-N 3.35Å
223	L	94.3	Very high	94.6	Very high	155 Å²	155	72.4 Å²	72.4	81%	0.812	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-53.5	131.9	-178.1	-162.6	105.5	0	0	0	110.2	G225 S226	L223-G225 PolarHBondContact O-N 3.36Å; L223-G225 VanDerWaalsContact O-N 3.11Å; L223-S226 PolarHBondContact N-OG 3.49Å; L223-S226 WeakPolarHBondContact O-CB 3.28Å; L223-S226 PolarHBondContact O-N 3Å; L223-S226 VanDerWaalsContact O-N 3.09Å; L223-S226 PolarHBondContact O-OG 2.94Å
224	S	91.7	Very high	94.5	Very high	129 Å²	129	74.6 Å²	74.6	90%	0.902	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	55.9	24.8	-177.3	-54.3	0	0	0	0	114.8	G222	G222-S224 PolarHBondContact O-N 3.45Å
225	G	90.3	Very high	94.6	Very high	54 Å²	54	73.1 Å²	73.1	56%	0.557	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	87.5	13.7	-179.3	0	0	0	0	0	114.7	G222 L223	G222-G225 PolarHBondContact O-N 3.45Å; L223-G225 PolarHBondContact O-N 3.36Å; L223-G225 VanDerWaalsContact O-N 3.11Å
226	S	94.1	Very high	94.6	Very high	36 Å²	36	69 Å²	69	25%	0.252	38%	0.38	S	S	.	.			trans	-63	151.6	176.4	79.4	0	0	0	0	112.2	G222 L223	G222-S226 WeakPolarHBondContact CA-O 3.45Å; G222-S226 VanDerWaalsContact CA-OG 3.29Å; G222-S226 WeakPolarHBondContact CA-OG 3.49Å; G222-S226 PolarHBondContact N-O 3.2Å; G222-S226 PolarHBondContact O-N 3.35Å; L223-S226 PolarHBondContact N-OG 3.49Å; L223-S226 WeakPolarHBondContact O-CB 3.28Å; L223-S226 PolarHBondContact O-N 3Å; L223-S226 VanDerWaalsContact O-N 3.09Å; L223-S226 PolarHBondContact O-OG 2.94Å
227	C	94.9	Very high	94.7	Very high	73 Å²	73	66.2 Å²	66.2	49%	0.493	37%	0.366	S	S	.	.	S	Bend	trans	-97.1	15.7	-178.8	-67.2	0	0	0	0	114	C220 V229	C220-C227 HydrophobicContact CB-CB 3.88Å; C220-C227 WeakPolarHBondContact CB-SG 3.43Å; C220-C227 VanDerWaalsContact SG-CA 3.56Å; C220-C227 WeakPolarHBondContact SG-CB 3.48Å; C220-C227 CovalentContact SG-SG 2.03Å; C220-C227 PolarHBondContact SG-SG 2.78Å; C227-V229 PolarHBondContact O-N 2.96Å
228	E	92.3	Very high	94.8	Very high	165 Å²	165	67 Å²	67	77%	0.771	38%	0.375	S	S	*	.	S	Bend	trans	-60.5	-35.1	174.7	-65.1	176.4	166.5	0	0	111.7
229	V	92.9	Very high	95	Very high	93 Å²	93	65 Å²	65	56%	0.564	36%	0.36	S	S	*	.	S	Bend	trans	-117.3	115.7	168.9	-176.5	0	0	0	0	107.8	H221 C227	H221-V229 PolarHBondContact N-O 3.3Å; C227-V229 PolarHBondContact O-N 2.96Å
230	K	95.1	Very high	95.1	Very high	67 Å²	67	63.6 Å²	63.6	29%	0.291	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	150.1	175.4	71.2	-171.1	176.8	-176.2	0	111.8	W165 K166 C218 K219	W165-K230 WeakPolarHBondContact CA-O 3.26Å; W165-K230 HydrophobicContact CB-CD 4.25Å; W165-K230 HydrophobicContact CB-CG 3.52Å; W165-K230 WeakPolarHBondContact CB-O 2.91Å; K166-K230 PolarHBondContact N-O 3.44Å; C218-K230 HydrophobicContact CB-CD 4.42Å; K219-K230 VanDerWaalsContact O-CA 3.22Å; K219-K230 WeakPolarHBondContact O-CA 3.35Å; K219-K230 WeakPolarHBondContact O-CB 3.48Å
231	T	94.9	Very high	95.2	Very high	33 Å²	33	64.8 Å²	64.8	20%	0.202	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	134.6	177.9	-61.9	0	0	0	0	108.7	K166 C218 K219	K166-T231 VanDerWaalsContact O-CA 3.27Å; K166-T231 WeakPolarHBondContact O-CA 3.33Å; C218-T231 CarbonylContact C-O 3.55Å; C218-T231 VanDerWaalsContact CA-O 3.27Å; C218-T231 WeakPolarHBondContact CA-O 3.04Å; K219-T231 PolarHBondContact N-O 3.07Å; K219-T231 PolarHBondContact O-N 3.38Å
232	C	96.4	Very high	95.5	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	151.9	-177.7	-47.1	0	0	0	0	112.5	W165 K166 G168 L216 K217 C218	W165-C232 HydrophobicContact CD2-CB 4.14Å; W165-C232 HydrophobicContact CE3-CB 3.51Å; W165-C232 HydrophobicContact CH2-CB 4.49Å; W165-C232 HydrophobicContact CZ3-CB 3.73Å; K166-C232 PolarHBondContact O-N 3.5Å; G168-C232 PolarHBondContact N-O 2.95Å; L216-C232 HydrophobicContact CD2-CB 4.23Å; K217-C232 CarbonylContact O-C 3.52Å; K217-C232 WeakPolarHBondContact O-CA 3.28Å; C218-C232 HydrophobicContact CB-CB 4.03Å; C218-C232 WeakPolarHBondContact CB-SG 3.49Å; C218-C232 WeakPolarHBondContact SG-CB 3.28Å; C218-C232 CovalentContact SG-SG 2.04Å; C218-C232 PolarHBondContact SG-SG 2.71Å
233	W	96.3	Very high	95.7	Very high	47 Å²	47	59.2 Å²	59.2	18%	0.178	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	163.6	173.8	53.1	99.7	0	0	0	110.5	G168 K217 K219	G168-W233 WeakPolarHBondContact O-CB 3.48Å; K217-W233 HydrophobicContact CD-CZ2 4.28Å; K217-W233 HydrophobicContact CG-CZ2 4.3Å; K217-W233 PolarHBondContact N-O 3.04Å; K217-W233 PolarHBondContact O-N 3.11Å; K219-W233 HydrophobicContact CB-CH2 3.68Å; K219-W233 HydrophobicContact CB-CZ3 3.91Å
234	W	96.4	Very high	95.9	Very high	90 Å²	90	55.3 Å²	55.3	34%	0.341	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	131.8	172	-76.3	117.6	0	0	0	110.1	W167 S171 E172 M214 L216	W167-W234 AromaticContact CH2-CD1 3.92Å; W167-W234 AromaticContact CH2-NE1 3.44Å; W167-W234 AromaticContact CZ3-CD1 3.86Å; W167-W234 AromaticContact CZ3-NE1 3.88Å; S171-W234 WeakPolarHBondContact CA-O 3.05Å; S171-W234 PolarHBondContact OG-N 3.14Å; E172-W234 PolarHBondContact N-O 3.36Å; M214-W234 HydrophobicContact CB-CE3 4.11Å; M214-W234 HydrophobicContact CB-CZ3 4.38Å; M214-W234 HydrophobicContact CE-CB 3.7Å; L216-W234 HydrophobicContact CD2-CD2 4.23Å; L216-W234 HydrophobicContact CG-CE3 4.36Å; L216-W234 HydrophobicContact CG-CH2 4.21Å; L216-W234 HydrophobicContact CG-CZ2 4.35Å; L216-W234 HydrophobicContact CG-CZ3 4.22Å
235	S	96.8	Very high	96.3	Very high	3 Å²	3	51.9 Å²	51.9	2%	0.021	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	145.5	-178.5	-168.2	0	0	0	0	110.5	E172 M214 F215	E172-S235 WeakPolarHBondContact OE1-CA 3.28Å; E172-S235 PolarHBondContact OE1-OG 3.27Å; M214-S235 VanDerWaalsContact SD-O 3.41Å; F215-S235 VanDerWaalsContact CD1-O 3.27Å; F215-S235 WeakPolarHBondContact CD1-O 3.43Å; F215-S235 WeakPolarHBondContact CE1-O 3.32Å; F215-S235 PolarHBondContact N-O 3.27Å; F215-S235 VanDerWaalsContact N-O 3.16Å; F215-S235 PolarHBondContact O-N 3.24Å
236	Q	97.1	Very high	96.7	Very high	3 Å²	3	49.3 Å²	49.3	1%	0.014	25%	0.249	C	C	.	.			trans	-74.2	146.6	173.1	-65.8	176	95.2	0	0	110.4	F137 T140 R141 E172 V174 M214	F137-Q236 HydrophobicContact CD2-CB 4.25Å; F137-Q236 VanDerWaalsContact CD2-OE1 3.25Å; F137-Q236 HydrophobicContact CE2-CB 3.99Å; F137-Q236 PolarHBondContact O-NE2 3.15Å; T140-Q236 VanDerWaalsContact CB-NE2 3.29Å; T140-Q236 HydrophobicContact CG2-CG 4.45Å; R141-Q236 PolarHBondContact NH2-O 3.03Å; E172-Q236 HydrophobicContact CB-CG 4.48Å; E172-Q236 PolarHBondContact OE1-N 3.06Å; E172-Q236 VanDerWaalsContact OE2-CB 3.27Å; E172-Q236 WeakPolarHBondContact OE2-CB 3.37Å; E172-Q236 WeakPolarHBondContact OE2-CG 3.47Å; E172-Q236 PolarHBondContact OE2-N 2.93Å; E172-Q236 PolarHBondContact OE2-NE2 3.15Å; V174-Q236 HydrophobicContact CG2-CG 3.58Å; M214-Q236 HydrophobicContact SD-CB 4.2Å; M214-Q236 HydrophobicContact SD-CG 3.55Å; M214-Q236 VanDerWaalsContact SD-CG 3.55Å
237	P	97.2	Very high	96.9	Very high	12 Å²	12	48.3 Å²	48.3	8%	0.078	24%	0.24	C	C	.	.			trans	-66.8	174.6	174	32.9	-37.2	0	0	0	111.5	F137 N213 F215 V241 I242	F137-P237 VanDerWaalsContact CE2-O 3.31Å; F137-P237 WeakPolarHBondContact CE2-O 3.5Å; N213-P237 HydrophobicContact CB-CG 4.12Å; N213-P237 WeakPolarHBondContact O-CD 3.4Å; F215-P237 HydrophobicContact CD1-CB 4.39Å; F215-P237 HydrophobicContact CE1-CB 4.19Å; P237-V241 HydrophobicContact CB-CB 3.89Å; P237-V241 HydrophobicContact CB-CG1 4.2Å; P237-V241 HydrophobicContact CB-CG2 4Å; P237-V241 HydrophobicContact CG-CB 4.22Å; P237-V241 HydrophobicContact CG-CG1 4.39Å; P237-I242 HydrophobicContact CG-CD1 3.86Å; P237-I242 HydrophobicContact CG-CG1 4.12Å
238	D	97.8	Very high	97	Very high	115 Å²	115	50 Å²	50	62%	0.615	24%	0.244	S	C	*	.			trans	-59.2	141.5	162.1	-169.5	-74.7	0	0	0	109.1	R240 V241	D238-R240 PolarHBondContact O-N 2.83Å; D238-R240 VanDerWaalsContact OD1-CB 3.24Å; D238-R240 WeakPolarHBondContact OD1-CB 3.5Å; D238-R240 PolarHBondContact OD1-N 3.17Å; D238-V241 WeakPolarHBondContact O-CB 2.95Å; D238-V241 PolarHBondContact O-N 3.46Å
239	F	98.4	Very high	97.3	Very high	12 Å²	12	44 Å²	44	5%	0.053	22%	0.215	C	C	.	.	H	α-helix	trans	-61.1	-21.4	-177.5	-164.4	-105.5	0	0	0	112.6	I72 E76 I130 A133 F137 V241 I242 G243	I72-F239 HydrophobicContact CG2-CB 4.2Å; I72-F239 HydrophobicContact CG2-CD1 3.33Å; I72-F239 HydrophobicContact CG2-CD2 4.11Å; I72-F239 HydrophobicContact CG2-CE1 3.61Å; I72-F239 HydrophobicContact CG2-CE2 4.35Å; I72-F239 HydrophobicContact CG2-CG 3.6Å; I72-F239 HydrophobicContact CG2-CZ 4.11Å; E76-F239 HydrophobicContact CB-CD1 3.79Å; E76-F239 HydrophobicContact CB-CE1 3.66Å; E76-F239 HydrophobicContact CG-CD1 3.96Å; E76-F239 HydrophobicContact CG-CE1 4Å; I130-F239 HydrophobicContact CD1-CE1 3.79Å; I130-F239 HydrophobicContact CD1-CZ 3.69Å; I130-F239 HydrophobicContact CG1-CE1 4.04Å; I130-F239 HydrophobicContact CG1-CZ 4.08Å; A133-F239 HydrophobicContact CB-CE2 4.25Å; A133-F239 HydrophobicContact CB-CZ 4.35Å; F137-F239 HydrophobicContact CB-CD2 3.86Å; F137-F239 HydrophobicContact CB-CE2 3.89Å; F137-F239 HydrophobicContact CD1-CB 4.38Å; F137-F239 AromaticContact CD1-CD2 3.81Å; F137-F239 HydrophobicContact CD1-CD2 3.81Å; F137-F239 HydrophobicContact CD1-CG 4.36Å; F137-F239 AromaticContact CD2-CD2 3.84Å; F137-F239 HydrophobicContact CD2-CD2 3.84Å; F137-F239 HydrophobicContact CE1-CB 4.05Å; F137-F239 HydrophobicContact CE1-CD2 4.31Å; F137-F239 HydrophobicContact CE2-CB 4.34Å; F137-F239 HydrophobicContact CE2-CD2 4.33Å; F137-F239 AromaticContact CG-CD2 3.55Å; F137-F239 HydrophobicContact CG-CD2 3.55Å; F137-F239 HydrophobicContact CG-CE2 4.12Å; F137-F239 HydrophobicContact CG-CG 4.48Å; F137-F239 HydrophobicContact CZ-CB 4.02Å; F239-V241 VanDerWaalsContact C-N 3.27Å; F239-V241 PolarHBondContact O-N 2.68Å; F239-I242 HydrophobicContact CD2-CB 4.24Å; F239-I242 HydrophobicContact CD2-CG1 4.42Å; F239-I242 HydrophobicContact CE2-CB 4.31Å; F239-I242 HydrophobicContact CE2-CG2 4.16Å; F239-I242 WeakPolarHBondContact O-CB 3.45Å; F239-I242 PolarHBondContact O-N 3.42Å; F239-I242 VanDerWaalsContact O-N 3.14Å; F239-G243 PolarHBondContact O-N 2.96Å
240	R	98.3	Very high	97.6	Very high	92 Å²	92	40.2 Å²	40.2	35%	0.347	19%	0.191	S	C	.	.	H	α-helix	trans	-54.9	-41	170.2	-178.5	53.3	51	74.2	3.9	112.9	E76 H79 D238 I242 G243 D244	E76-R240 VanDerWaalsContact CD-NE 3.3Å; E76-R240 WeakPolarHBondContact OE1-CD 3Å; E76-R240 IonicContact OE1-CZ 3.1Å; E76-R240 IonicContact OE1-NE 3.83Å; E76-R240 PolarHBondContact OE1-NE 2.6Å; E76-R240 IonicContact OE2-CZ 3.03Å; E76-R240 IonicContact OE2-NE 3.13Å; E76-R240 PolarHBondContact OE2-NE 3.43Å; E76-R240 IonicContact OE2-NH2 2.76Å; E76-R240 PolarHBondContact OE2-NH2 3.08Å; E76-R240 VanDerWaalsContact OE2-NH2 3.13Å; H79-R240 PolarHBondContact CD2-NH2 2.82Å; H79-R240 PolarHBondContact CE1-NE 3.29Å; H79-R240 PolarHBondContact CE1-NH1 3.4Å; H79-R240 VanDerWaalsContact ND1-CZ 3.26Å; H79-R240 PolarHBondContact ND1-NE 3.19Å; H79-R240 VanDerWaalsContact ND1-NE 3.19Å; H79-R240 PolarHBondContact ND1-NH2 3.3Å; H79-R240 VanDerWaalsContact NE2-CZ 3.33Å; H79-R240 PolarHBondContact NE2-NH1 3.02Å; H79-R240 VanDerWaalsContact NE2-NH1 3.16Å; D238-R240 PolarHBondContact O-N 2.83Å; D238-R240 VanDerWaalsContact OD1-CB 3.24Å; D238-R240 WeakPolarHBondContact OD1-CB 3.5Å; D238-R240 PolarHBondContact OD1-N 3.17Å; R240-I242 VanDerWaalsContact C-N 3.26Å; R240-I242 PolarHBondContact O-N 3.02Å; R240-G243 WeakPolarHBondContact O-CA 3.46Å; R240-G243 PolarHBondContact O-N 3.05Å; R240-G243 VanDerWaalsContact O-N 3.14Å; R240-D244 VanDerWaalsContact O-CG 3.29Å; R240-D244 PolarHBondContact O-N 2.85Å
241	V	98.4	Very high	97.7	Very high	65 Å²	65	40.6 Å²	40.6	39%	0.394	20%	0.197	S	C	.	.	H	α-helix	trans	-61.9	-39.2	179.1	179.2	0	0	0	0	110.6	P237 D238 F239 Y245	P237-V241 HydrophobicContact CB-CB 3.89Å; P237-V241 HydrophobicContact CB-CG1 4.2Å; P237-V241 HydrophobicContact CB-CG2 4Å; P237-V241 HydrophobicContact CG-CB 4.22Å; P237-V241 HydrophobicContact CG-CG1 4.39Å; D238-V241 WeakPolarHBondContact O-CB 2.95Å; D238-V241 PolarHBondContact O-N 3.46Å; F239-V241 VanDerWaalsContact C-N 3.27Å; F239-V241 PolarHBondContact O-N 2.68Å; V241-Y245 WeakPolarHBondContact O-CB 3.05Å; V241-Y245 PolarHBondContact O-N 3.14Å
242	I	98.6	Very high	97.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-68.7	-41.9	175.7	-55.2	-59.5	0	0	0	110.7	I130 A133 S209 L210 N213 P237 F239 R240 D244 Y245 M246	I130-I242 HydrophobicContact CD1-CG2 4.38Å; A133-I242 HydrophobicContact CB-CG2 4.07Å; S209-I242 WeakPolarHBondContact OG-CG2 3.41Å; L210-I242 HydrophobicContact CD2-CD1 3.88Å; L210-I242 HydrophobicContact CD2-CG1 3.78Å; L210-I242 HydrophobicContact CD2-CG2 4.47Å; N213-I242 HydrophobicContact CB-CD1 3.82Å; P237-I242 HydrophobicContact CG-CD1 3.86Å; P237-I242 HydrophobicContact CG-CG1 4.12Å; F239-I242 HydrophobicContact CD2-CB 4.24Å; F239-I242 HydrophobicContact CD2-CG1 4.42Å; F239-I242 HydrophobicContact CE2-CB 4.31Å; F239-I242 HydrophobicContact CE2-CG2 4.16Å; F239-I242 WeakPolarHBondContact O-CB 3.45Å; F239-I242 PolarHBondContact O-N 3.42Å; F239-I242 VanDerWaalsContact O-N 3.14Å; R240-I242 VanDerWaalsContact C-N 3.26Å; R240-I242 PolarHBondContact O-N 3.02Å; I242-D244 PolarHBondContact O-N 2.94Å; I242-Y245 PolarHBondContact O-N 3.39Å; I242-M246 HydrophobicContact CG2-CG 4.31Å; I242-M246 WeakPolarHBondContact O-CB 3.29Å; I242-M246 VanDerWaalsContact O-CG 3.31Å; I242-M246 WeakPolarHBondContact O-CG 3.47Å; I242-M246 PolarHBondContact O-N 3.42Å
243	G	98.4	Very high	97.8	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-56	-48.7	173.3	0	0	0	0	0	112.6	F239 R240 M246 K247	F239-G243 PolarHBondContact O-N 2.96Å; R240-G243 WeakPolarHBondContact O-CA 3.46Å; R240-G243 PolarHBondContact O-N 3.05Å; R240-G243 VanDerWaalsContact O-N 3.14Å; G243-M246 PolarHBondContact O-N 3.01Å; G243-K247 WeakPolarHBondContact O-CB 3.33Å; G243-K247 PolarHBondContact O-N 2.88Å
244	D	98.6	Very high	97.9	Very high	73 Å²	73	42.2 Å²	42.2	39%	0.39	22%	0.217	S	C	.	.	H	α-helix	trans	-63.9	-47.5	178.3	-65.7	-24.9	0	0	0	110.8	Q80 R240 I242 M246 K247 D248	Q80-D244 PolarHBondContact NE2-OD1 3.18Å; R240-D244 VanDerWaalsContact O-CG 3.29Å; R240-D244 PolarHBondContact O-N 2.85Å; I242-D244 PolarHBondContact O-N 2.94Å; D244-M246 PolarHBondContact O-N 3.45Å; D244-K247 WeakPolarHBondContact O-CB 3.31Å; D244-K247 PolarHBondContact O-N 3.26Å; D244-D248 PolarHBondContact O-N 2.8Å
245	Y	98.6	Very high	98	Very high	56 Å²	56	39.5 Å²	39.5	22%	0.22	21%	0.208	C	C	.	.	H	α-helix	trans	-57.4	-47.8	176.2	177.9	-94.4	0	0	0	112.3	V241 I242 K247 D248 K249	V241-Y245 WeakPolarHBondContact O-CB 3.05Å; V241-Y245 PolarHBondContact O-N 3.14Å; I242-Y245 PolarHBondContact O-N 3.39Å; Y245-K247 PolarHBondContact O-N 3.34Å; Y245-D248 PolarHBondContact O-N 2.92Å; Y245-K249 HydrophobicContact CD1-CG 4.46Å; Y245-K249 HydrophobicContact CE1-CG 4.12Å; Y245-K249 WeakPolarHBondContact O-CG 3.49Å; Y245-K249 PolarHBondContact O-N 3.09Å; Y245-K249 VanDerWaalsContact O-N 3.15Å; Y245-K249 VanDerWaalsContact OH-CE 3.31Å; Y245-K249 WeakPolarHBondContact OH-CE 3.31Å
246	M	98.5	Very high	98	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-69	-27.4	178.2	-68.6	-51.1	-49.5	0	0	112	F126 A129 I130 I242 G243 D244 D248 K249 Y250 L286	F126-M246 HydrophobicContact CD2-CB 4.18Å; F126-M246 WeakPolarHBondContact CD2-O 3.31Å; F126-M246 VanDerWaalsContact CE2-C 3.5Å; F126-M246 HydrophobicContact CE2-CB 3.68Å; A129-M246 HydrophobicContact CB-CE 3.55Å; I130-M246 HydrophobicContact CD1-CB 4.41Å; I130-M246 HydrophobicContact CD1-CG 4.34Å; I242-M246 HydrophobicContact CG2-CG 4.31Å; I242-M246 WeakPolarHBondContact O-CB 3.29Å; I242-M246 VanDerWaalsContact O-CG 3.31Å; I242-M246 WeakPolarHBondContact O-CG 3.47Å; I242-M246 PolarHBondContact O-N 3.42Å; G243-M246 PolarHBondContact O-N 3.01Å; D244-M246 PolarHBondContact O-N 3.45Å; M246-D248 VanDerWaalsContact C-N 3.35Å; M246-K249 HydrophobicContact CE-CB 4.2Å; M246-K249 PolarHBondContact O-N 2.84Å; M246-Y250 PolarHBondContact O-N 2.97Å; M246-L286 HydrophobicContact CE-CD1 3.95Å; M246-L286 HydrophobicContact CE-CD2 3.64Å; M246-L286 HydrophobicContact CE-CG 3.9Å
247	K	98.2	Very high	98.1	Very high	15 Å²	15	42.3 Å²	42.3	7%	0.065	22%	0.224	C	C	.	.	H	α-helix	trans	-71	-34.2	178.4	176.3	63.1	-157	60.3	0	111.2	Q80 F81 F126 G243 D244 Y245 Y250 D251	Q80-K247 HydrophobicContact CB-CD 4.24Å; Q80-K247 HydrophobicContact CG-CB 4.29Å; F81-K247 HydrophobicContact CE2-CD 4.08Å; F81-K247 HydrophobicContact CZ-CD 4.12Å; F126-K247 HydrophobicContact CE2-CB 4.23Å; G243-K247 WeakPolarHBondContact O-CB 3.33Å; G243-K247 PolarHBondContact O-N 2.88Å; D244-K247 WeakPolarHBondContact O-CB 3.31Å; D244-K247 PolarHBondContact O-N 3.26Å; Y245-K247 PolarHBondContact O-N 3.34Å; K247-Y250 HydrophobicContact CD-CD1 4.41Å; K247-Y250 WeakPolarHBondContact O-CB 3.48Å; K247-Y250 PolarHBondContact O-N 3.08Å; K247-D251 IonicContact NZ-OD1 3.67Å; K247-D251 PolarHBondContact NZ-OD1 3.47Å; K247-D251 IonicContact NZ-OD2 3.42Å; K247-D251 PolarHBondContact NZ-OD2 2.81Å; K247-D251 PolarHBondContact O-N 3.41Å
248	D	98.3	Very high	98	Very high	110 Å²	110	44.4 Å²	44.4	59%	0.588	24%	0.236	S	C	*	.	H	α-helix	trans	-65.8	-45.3	169.3	-70.8	-16.3	0	0	0	110.8	D244 Y245 M246 Y250 D251 S252	D244-D248 PolarHBondContact O-N 2.8Å; Y245-D248 PolarHBondContact O-N 2.92Å; M246-D248 VanDerWaalsContact C-N 3.35Å; D248-Y250 PolarHBondContact O-N 3.34Å; D248-D251 PolarHBondContact O-N 2.69Å; D248-S252 PolarHBondContact O-N 3.02Å; D248-S252 VanDerWaalsContact O-N 3.16Å; D248-S252 PolarHBondContact O-OG 3.26Å
249	K	98.4	Very high	97.9	Very high	37 Å²	37	42.8 Å²	42.8	16%	0.161	23%	0.225	C	C	.	.	H	α-helix	trans	-60.6	-31.1	174.6	-65.6	-57.7	-169.4	174	0	113.4	Y245 M246 S252 A253 R284 D285 L286	Y245-K249 HydrophobicContact CD1-CG 4.46Å; Y245-K249 HydrophobicContact CE1-CG 4.12Å; Y245-K249 WeakPolarHBondContact O-CG 3.49Å; Y245-K249 PolarHBondContact O-N 3.09Å; Y245-K249 VanDerWaalsContact O-N 3.15Å; Y245-K249 VanDerWaalsContact OH-CE 3.31Å; Y245-K249 WeakPolarHBondContact OH-CE 3.31Å; M246-K249 HydrophobicContact CE-CB 4.2Å; M246-K249 PolarHBondContact O-N 2.84Å; K249-S252 CarbonylContact O-C 3.53Å; K249-A253 WeakPolarHBondContact O-CA 3.4Å; K249-A253 PolarHBondContact O-N 3.21Å; K249-R284 VanDerWaalsContact CE-O 3.29Å; K249-R284 WeakPolarHBondContact CE-O 3.46Å; K249-D285 IonicContact NZ-OD1 3.95Å; K249-D285 PolarHBondContact NZ-OD1 3.45Å; K249-L286 HydrophobicContact CB-CD1 4.23Å; K249-L286 HydrophobicContact CB-CG 4.09Å
250	Y	98.1	Very high	97.7	Very high	15 Å²	15	48.7 Å²	48.7	6%	0.059	25%	0.251	C	S	.	.	H	α-helix	trans	-66.1	-43.7	172	164.5	-83.9	0	0	0	111.8	F81 R122 E123 F126 M246 K247 D248 S252 A253	F81-Y250 HydrophobicContact CE1-CD1 4.33Å; F81-Y250 HydrophobicContact CE1-CD2 4.45Å; F81-Y250 AromaticContact CE1-CE1 3.81Å; F81-Y250 HydrophobicContact CE1-CE1 3.81Å; F81-Y250 AromaticContact CE1-CE2 3.93Å; F81-Y250 HydrophobicContact CE1-CE2 3.93Å; F81-Y250 AromaticContact CE1-CZ 3.59Å; F81-Y250 AromaticContact CZ-CD1 3.95Å; F81-Y250 HydrophobicContact CZ-CD1 3.95Å; F81-Y250 AromaticContact CZ-CD2 3.82Å; F81-Y250 HydrophobicContact CZ-CD2 3.82Å; F81-Y250 AromaticContact CZ-CE1 3.89Å; F81-Y250 HydrophobicContact CZ-CE1 3.89Å; F81-Y250 AromaticContact CZ-CE2 3.74Å; F81-Y250 HydrophobicContact CZ-CE2 3.74Å; F81-Y250 AromaticContact CZ-CG 3.92Å; F81-Y250 HydrophobicContact CZ-CG 3.92Å; F81-Y250 AromaticContact CZ-CZ 3.79Å; R122-Y250 HydrophobicContact CB-CD2 4.44Å; R122-Y250 HydrophobicContact CB-CE2 3.92Å; R122-Y250 VanDerWaalsContact CD-O 3.31Å; R122-Y250 WeakPolarHBondContact CD-O 3.45Å; R122-Y250 HydrophobicContact CG-CD2 3.61Å; R122-Y250 HydrophobicContact CG-CE2 3.46Å; R122-Y250 VanDerWaalsContact CG-CE2 3.46Å; R122-Y250 HydrophobicContact CG-CG 4.35Å; R122-Y250 WeakPolarHBondContact O-CD2 3.31Å; E123-Y250 HydrophobicContact CG-CE2 4.28Å; E123-Y250 PolarHBondContact OE1-OH 2.79Å; F126-Y250 HydrophobicContact CB-CD2 3.78Å; F126-Y250 HydrophobicContact CB-CG 4.41Å; F126-Y250 HydrophobicContact CD2-CG 4.49Å; F126-Y250 HydrophobicContact CG-CD2 4.42Å; M246-Y250 PolarHBondContact O-N 2.97Å; K247-Y250 HydrophobicContact CD-CD1 4.41Å; K247-Y250 WeakPolarHBondContact O-CB 3.48Å; K247-Y250 PolarHBondContact O-N 3.08Å; D248-Y250 PolarHBondContact O-N 3.34Å; Y250-S252 PolarHBondContact O-N 3.11Å; Y250-A253 WeakPolarHBondContact O-CB 3.23Å; Y250-A253 PolarHBondContact O-N 3.09Å
251	D	97	Very high	97.5	Very high	75 Å²	75	47.6 Å²	47.6	40%	0.401	25%	0.25	S	C	.	.	H	α-helix	trans	-65.8	-31.3	-179.4	-72.6	-27.4	0	0	0	111.4	R84 R122 K247 D248	R84-D251 IonicContact CZ-OD1 3.27Å; R84-D251 IonicContact NH1-OD1 2.87Å; R84-D251 IonicContact NH2-OD1 2.78Å; R84-D251 PolarHBondContact NH2-OD1 3.19Å; R84-D251 VanDerWaalsContact NH2-OD1 3.11Å; R84-D251 IonicContact NH2-OD2 2.94Å; R122-D251 PolarHBondContact NH1-O 2.82Å; K247-D251 IonicContact NZ-OD1 3.67Å; K247-D251 PolarHBondContact NZ-OD1 3.47Å; K247-D251 IonicContact NZ-OD2 3.42Å; K247-D251 PolarHBondContact NZ-OD2 2.81Å; K247-D251 PolarHBondContact O-N 3.41Å; D248-D251 PolarHBondContact O-N 2.69Å
252	S	97.1	Very high	97.3	Very high	73 Å²	73	52.1 Å²	52.1	51%	0.51	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	16.7	176.8	73.3	0	0	0	0	115.2	D248 K249 Y250	D248-S252 PolarHBondContact O-N 3.02Å; D248-S252 VanDerWaalsContact O-N 3.16Å; D248-S252 PolarHBondContact O-OG 3.26Å; K249-S252 CarbonylContact O-C 3.53Å; Y250-S252 PolarHBondContact O-N 3.11Å
253	A	98	Very high	97	Very high	10 Å²	10	56.6 Å²	56.6	8%	0.083	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-61.3	140	-176	0	0	0	0	0	112.2	R122 K249 Y250 L286 Y288	R122-A253 HydrophobicContact CG-CB 3.88Å; K249-A253 WeakPolarHBondContact O-CA 3.4Å; K249-A253 PolarHBondContact O-N 3.21Å; Y250-A253 WeakPolarHBondContact O-CB 3.23Å; Y250-A253 PolarHBondContact O-N 3.09Å; A253-L286 CarbonylContact C-O 3.48Å; A253-L286 VanDerWaalsContact CA-O 3.32Å; A253-L286 WeakPolarHBondContact CA-O 3.36Å; A253-L286 HydrophobicContact CB-CB 3.88Å; A253-Y288 HydrophobicContact CB-CD1 3.93Å; A253-Y288 HydrophobicContact CB-CE1 4.09Å
254	S	98.1	Very high	96.7	Very high	30 Å²	30	62.6 Å²	62.6	21%	0.21	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	129.7	-177.1	-66	0	0	0	0	112	L286 V287 Y288	S254-L286 PolarHBondContact N-O 3.39Å; S254-V287 WeakPolarHBondContact O-CA 3.46Å; S254-Y288 PolarHBondContact O-N 3.41Å; S254-Y288 VanDerWaalsContact O-N 3.07Å
255	E	97.8	Very high	96.3	Very high	34 Å²	34	70.5 Å²	70.5	16%	0.159	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	129.2	172.1	-165.1	-177.4	175.7	0	0	110.3	K274 Y288	E255-K274 HydrophobicContact CB-CD 4.34Å; E255-K274 HydrophobicContact CG-CD 3.86Å; E255-K274 VanDerWaalsContact O-CB 3.24Å; E255-K274 WeakPolarHBondContact O-CB 3.25Å; E255-K274 PolarHBondContact O-N 3.08Å; E255-K274 IonicContact OE1-NZ 3.11Å; E255-K274 PolarHBondContact OE1-NZ 3.33Å; E255-K274 WeakPolarHBondContact OE2-CD 3.42Å; E255-K274 IonicContact OE2-NZ 2.66Å; E255-K274 PolarHBondContact OE2-NZ 3.05Å; E255-Y288 CarbonylContact C-O 3.53Å; E255-Y288 WeakPolarHBondContact CA-O 3.16Å; E255-Y288 HydrophobicContact CB-CE1 4.17Å; E255-Y288 HydrophobicContact CB-CE2 4.17Å; E255-Y288 HydrophobicContact CG-CD2 4.45Å; E255-Y288 HydrophobicContact CG-CE2 3.86Å
256	M	97.9	Very high	96	Very high	14 Å²	14	69.1 Å²	69.1	7%	0.069	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	160.2	-177	-51.1	-61.5	-82.1	0	0	110.8	L271 R272 P273 P281 V287 Y288 Y289	M256-L271 HydrophobicContact CB-CB 4.08Å; M256-L271 HydrophobicContact CB-CD2 4.35Å; M256-L271 HydrophobicContact CE-CB 3.92Å; M256-L271 HydrophobicContact CG-CB 4.32Å; M256-R272 CarbonylContact C-O 3.55Å; M256-R272 VanDerWaalsContact CA-O 3.23Å; M256-R272 WeakPolarHBondContact CA-O 3.38Å; M256-R272 VanDerWaalsContact CE-C 3.46Å; M256-P273 HydrophobicContact CE-CG 4.05Å; M256-P273 HydrophobicContact SD-CB 4.4Å; M256-P273 HydrophobicContact SD-CG 4.29Å; M256-P281 HydrophobicContact CE-CG 4.14Å; M256-P281 HydrophobicContact SD-CG 3.99Å; M256-V287 HydrophobicContact CE-CG1 4.5Å; M256-V287 HydrophobicContact CG-CB 3.74Å; M256-V287 HydrophobicContact CG-CG1 4.12Å; M256-V287 HydrophobicContact SD-CB 4.33Å; M256-V287 HydrophobicContact SD-CG1 4.04Å; M256-Y288 PolarHBondContact N-O 2.78Å; M256-Y289 VanDerWaalsContact O-CB 3.28Å; M256-Y289 WeakPolarHBondContact O-CB 3.4Å
257	V	97.3	Very high	95.7	Very high	50 Å²	50	77.7 Å²	77.7	30%	0.303	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	146.3	168.3	-66.6	0	0	0	0	109.6	L271 R272 K274	V257-L271 WeakPolarHBondContact O-CA 3.48Å; V257-R272 HydrophobicContact CG2-CB 4.05Å; V257-R272 WeakPolarHBondContact CG2-O 3.32Å; V257-R272 PolarHBondContact N-O 2.75Å; V257-R272 PolarHBondContact O-N 2.66Å; V257-K274 HydrophobicContact CG1-CB 3.9Å; V257-K274 HydrophobicContact CG1-CD 4.46Å; V257-K274 HydrophobicContact CG1-CG 3.86Å
258	V	97	Very high	95.4	Very high	56 Å²	56	78 Å²	78	34%	0.339	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	123	178.1	-178.9	0	0	0	0	109.4	A194 E269 T270 L271 Y289	A194-V258 HydrophobicContact CB-CB 4.31Å; A194-V258 HydrophobicContact CB-CG1 3.73Å; A194-V258 HydrophobicContact CB-CG2 3.6Å; V258-E269 HydrophobicContact CG1-CB 4.01Å; V258-E269 HydrophobicContact CG1-CG 4.44Å; V258-T270 WeakPolarHBondContact CA-O 3.33Å; V258-L271 HydrophobicContact CG2-CD2 4.08Å; V258-Y289 HydrophobicContact CG2-CD1 4.44Å; V258-Y289 HydrophobicContact CG2-CD2 3.8Å; V258-Y289 HydrophobicContact CG2-CE2 4.1Å; V258-Y289 HydrophobicContact CG2-CG 4.01Å
259	E	95.2	Very high	95.3	Very high	81 Å²	81	75 Å²	75	38%	0.379	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	142.5	171.4	-68.9	-176.7	174.1	0	0	109.4	E269 T270 R272	E259-E269 CarbonylContact O-C 3.56Å; E259-E269 VanDerWaalsContact O-CA 3.26Å; E259-E269 WeakPolarHBondContact O-CA 3.2Å; E259-T270 PolarHBondContact N-O 3.15Å; E259-T270 PolarHBondContact O-N 3.38Å; E259-R272 WeakPolarHBondContact OE1-CD 3.41Å; E259-R272 IonicContact OE1-CZ 3.78Å; E259-R272 IonicContact OE1-NE 3.03Å; E259-R272 PolarHBondContact OE1-NE 3.32Å
260	K	94.6	Very high	95.1	Very high	136 Å²	136	75.8 Å²	75.8	59%	0.591	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.8	125.4	179.5	-54.3	-162.5	-179.9	-159	0	109.6	V268 E269	K260-V268 WeakPolarHBondContact CA-O 3.32Å; K260-E269 HydrophobicContact CD-CG 4.22Å; K260-E269 WeakPolarHBondContact CE-OE1 3.21Å; K260-E269 HydrophobicContact CG-CG 4.07Å; K260-E269 IonicContact NZ-OE1 2.92Å; K260-E269 PolarHBondContact NZ-OE1 3.19Å
261	H	93.3	Very high	95.1	Very high	70 Å²	70	76.8 Å²	76.8	32%	0.324	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	164	174.1	63	-85	0	0	0	110.9	E263 V268	H261-E263 IonicContact CD2-OE1 2.86Å; H261-E263 IonicContact CE1-OE1 2.77Å; H261-E263 IonicContact NE2-OE1 3.16Å; H261-E263 PolarHBondContact NE2-OE1 3.16Å; H261-V268 PolarHBondContact N-O 3.13Å; H261-V268 PolarHBondContact O-N 3.27Å
262	K	93.7	Very high	95	Very high	160 Å²	160	77.9 Å²	77.9	70%	0.696	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.5	122.8	-177.8	-169.7	177.8	-178.9	-177.8	0	109.6	W267	K262-W267 HydrophobicContact CB-CE3 4.33Å; K262-W267 HydrophobicContact CB-CZ3 4.35Å
263	E	93.3	Very high	95	Very high	93 Å²	93	75.9 Å²	75.9	44%	0.435	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	175	170.7	-63.9	-174	-170.4	0	0	110.5	H261 R265 G266 V268	H261-E263 IonicContact CD2-OE1 2.86Å; H261-E263 IonicContact CE1-OE1 2.77Å; H261-E263 IonicContact NE2-OE1 3.16Å; H261-E263 PolarHBondContact NE2-OE1 3.16Å; E263-R265 PolarHBondContact O-N 3.29Å; E263-G266 PolarHBondContact N-O 3.09Å; E263-G266 PolarHBondContact O-N 3.35Å; E263-G266 VanDerWaalsContact O-N 3.09Å; E263-V268 HydrophobicContact CB-CG2 4.03Å; E263-V268 HydrophobicContact CG-CB 4.37Å; E263-V268 HydrophobicContact CG-CG2 3.81Å
264	S	92.4	Very high	94.9	Very high	126 Å²	126	79.2 Å²	79.2	88%	0.881	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-29.4	178.5	57.3	0	0	0	0	113.3
265	R	88.6	Confident	94.8	Very high	239 Å²	239	82.3 Å²	82.3	90%	0.902	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-1.1	-179.9	-64.6	-176.8	178.3	172.7	0.9	114.2	E263	E263-R265 PolarHBondContact O-N 3.29Å
266	G	92.5	Very high	94.5	Very high	27 Å²	27	85.5 Å²	85.5	28%	0.278	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	127.9	-162.4	179.5	0	0	0	0	0	113.8	E263	E263-G266 PolarHBondContact N-O 3.09Å; E263-G266 PolarHBondContact O-N 3.35Å; E263-G266 VanDerWaalsContact O-N 3.09Å
267	W	91.8	Very high	94.4	Very high	180 Å²	180	92.7 Å²	92.7	68%	0.682	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	133.9	175	-68	99.9	0	0	0	110.6	K262	K262-W267 HydrophobicContact CB-CE3 4.33Å; K262-W267 HydrophobicContact CB-CZ3 4.35Å
268	V	93.9	Very high	94.2	Very high	22 Å²	22	96.6 Å²	96.6	13%	0.133	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	136.7	176.8	-177	0	0	0	0	108.6	P192 K260 H261 E263 T270	P192-V268 HydrophobicContact CB-CB 4.32Å; P192-V268 HydrophobicContact CB-CG1 4.09Å; P192-V268 HydrophobicContact CB-CG2 3.98Å; K260-V268 WeakPolarHBondContact CA-O 3.32Å; H261-V268 PolarHBondContact N-O 3.13Å; H261-V268 PolarHBondContact O-N 3.27Å; E263-V268 HydrophobicContact CB-CG2 4.03Å; E263-V268 HydrophobicContact CG-CB 4.37Å; E263-V268 HydrophobicContact CG-CG2 3.81Å; V268-T270 HydrophobicContact CG1-CG2 4.45Å
269	E	94.9	Very high	94.1	Very high	48 Å²	48	103.2 Å²	103.2	22%	0.224	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	128.8	172.8	-52.3	-175.5	152.8	0	0	109.9	P192 D193 A194 V258 E259 K260	P192-E269 PolarHBondContact O-N 3.39Å; D193-E269 WeakPolarHBondContact CA-OE2 3.48Å; A194-E269 HydrophobicContact CB-CB 4.06Å; A194-E269 WeakPolarHBondContact CB-OE2 3.41Å; A194-E269 PolarHBondContact N-OE2 2.92Å; V258-E269 HydrophobicContact CG1-CB 4.01Å; V258-E269 HydrophobicContact CG1-CG 4.44Å; E259-E269 CarbonylContact O-C 3.56Å; E259-E269 VanDerWaalsContact O-CA 3.26Å; E259-E269 WeakPolarHBondContact O-CA 3.2Å; K260-E269 HydrophobicContact CD-CG 4.22Å; K260-E269 WeakPolarHBondContact CE-OE1 3.21Å; K260-E269 HydrophobicContact CG-CG 4.07Å; K260-E269 IonicContact NZ-OE1 2.92Å; K260-E269 PolarHBondContact NZ-OE1 3.19Å
270	T	95	Very high	94.2	Very high	52 Å²	52	103.7 Å²	103.7	32%	0.319	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	162.1	176.2	48.5	0	0	0	0	111.4	V258 E259 V268	V258-T270 WeakPolarHBondContact CA-O 3.33Å; E259-T270 PolarHBondContact N-O 3.15Å; E259-T270 PolarHBondContact O-N 3.38Å; V268-T270 HydrophobicContact CG1-CG2 4.45Å
271	L	96.6	Very high	94.3	Very high	36 Å²	36	98.5 Å²	98.5	19%	0.188	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	126.4	-179.8	-60.8	178.8	0	0	0	109.6	A194 A197 M198 M256 V257 V258 V287 Y289	A194-L271 HydrophobicContact CB-CD2 4.01Å; A197-L271 HydrophobicContact CB-CD1 4.23Å; A197-L271 HydrophobicContact CB-CG 4.28Å; M198-L271 HydrophobicContact CB-CD1 3.77Å; M198-L271 HydrophobicContact CG-CD1 4.4Å; M256-L271 HydrophobicContact CB-CB 4.08Å; M256-L271 HydrophobicContact CB-CD2 4.35Å; M256-L271 HydrophobicContact CE-CB 3.92Å; M256-L271 HydrophobicContact CG-CB 4.32Å; V257-L271 WeakPolarHBondContact O-CA 3.48Å; V258-L271 HydrophobicContact CG2-CD2 4.08Å; L271-V287 HydrophobicContact CD1-CG2 4.37Å; L271-Y289 HydrophobicContact CD2-CD1 3.68Å; L271-Y289 HydrophobicContact CD2-CE1 4.23Å; L271-Y289 HydrophobicContact CD2-CG 4.3Å
272	R	96.3	Very high	94.5	Very high	99 Å²	99	98.5 Å²	98.5	37%	0.374	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	145.5	172.7	-165.6	174.1	82.8	91.4	0.5	110.2	M256 V257 E259 K274 N276	M256-R272 CarbonylContact C-O 3.55Å; M256-R272 VanDerWaalsContact CA-O 3.23Å; M256-R272 WeakPolarHBondContact CA-O 3.38Å; M256-R272 VanDerWaalsContact CE-C 3.46Å; V257-R272 HydrophobicContact CG2-CB 4.05Å; V257-R272 WeakPolarHBondContact CG2-O 3.32Å; V257-R272 PolarHBondContact N-O 2.75Å; V257-R272 PolarHBondContact O-N 2.66Å; E259-R272 WeakPolarHBondContact OE1-CD 3.41Å; E259-R272 IonicContact OE1-CZ 3.78Å; E259-R272 IonicContact OE1-NE 3.03Å; E259-R272 PolarHBondContact OE1-NE 3.32Å; R272-K274 PolarHBondContact O-N 3.03Å; R272-N276 VanDerWaalsContact NH1-CG 3.34Å; R272-N276 PolarHBondContact NH1-ND2 2.74Å; R272-N276 PolarHBondContact NH1-OD1 2.84Å; R272-N276 PolarHBondContact NH2-ND2 3.06Å
273	P	96.9	Very high	94.7	Very high	30 Å²	30	97.4 Å²	97.4	20%	0.195	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	132.2	174.9	-26.6	36.4	0	0	0	111.4	M256 Y275 N276 P280	M256-P273 HydrophobicContact CE-CG 4.05Å; M256-P273 HydrophobicContact SD-CB 4.4Å; M256-P273 HydrophobicContact SD-CG 4.29Å; P273-Y275 VanDerWaalsContact C-N 3.27Å; P273-Y275 PolarHBondContact O-N 3.33Å; P273-N276 PolarHBondContact O-OD1 3.37Å; P273-P280 HydrophobicContact CG-CB 4.35Å
274	K	96.3	Very high	94.9	Very high	81 Å²	81	98.3 Å²	98.3	35%	0.352	47%	0.465	S	S	.	.	S	Bend	trans	-65.2	-35	177.1	-175.8	175.8	176.9	-173.3	0	111.8	E255 V257 R272	E255-K274 HydrophobicContact CB-CD 4.34Å; E255-K274 HydrophobicContact CG-CD 3.86Å; E255-K274 VanDerWaalsContact O-CB 3.24Å; E255-K274 WeakPolarHBondContact O-CB 3.25Å; E255-K274 PolarHBondContact O-N 3.08Å; E255-K274 IonicContact OE1-NZ 3.11Å; E255-K274 PolarHBondContact OE1-NZ 3.33Å; E255-K274 WeakPolarHBondContact OE2-CD 3.42Å; E255-K274 IonicContact OE2-NZ 2.66Å; E255-K274 PolarHBondContact OE2-NZ 3.05Å; V257-K274 HydrophobicContact CG1-CB 3.9Å; V257-K274 HydrophobicContact CG1-CD 4.46Å; V257-K274 HydrophobicContact CG1-CG 3.86Å; R272-K274 PolarHBondContact O-N 3.03Å
275	Y	95.2	Very high	95.2	Very high	94 Å²	94	93.5 Å²	93.5	37%	0.369	43%	0.43	S	S	.	.			trans	-116.4	103.1	-174.4	-58.8	-69.5	0	0	0	110.7	P273 Y277 F278	P273-Y275 VanDerWaalsContact C-N 3.27Å; P273-Y275 PolarHBondContact O-N 3.33Å; Y275-Y277 VanDerWaalsContact C-N 3.31Å; Y275-Y277 AromaticContact CD1-CE1 3.68Å; Y275-Y277 HydrophobicContact CD1-CE1 3.68Å; Y275-Y277 AromaticContact CD1-CZ 3.73Å; Y275-Y277 WeakPolarHBondContact CD1-OH 3.42Å; Y275-Y277 HydrophobicContact CG-CE1 4.13Å; Y275-Y277 PolarHBondContact O-N 3.25Å; Y275-F278 HydrophobicContact CG-CD2 4.31Å; Y275-F278 HydrophobicContact CG-CE2 4.42Å
276	N	92.7	Very high	95.6	Very high	102 Å²	102	82.2 Å²	82.2	55%	0.545	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-8.2	-173.5	-59.7	-42.9	0	0	0	114.9	R272 P273	R272-N276 VanDerWaalsContact NH1-CG 3.34Å; R272-N276 PolarHBondContact NH1-ND2 2.74Å; R272-N276 PolarHBondContact NH1-OD1 2.84Å; R272-N276 PolarHBondContact NH2-ND2 3.06Å; P273-N276 PolarHBondContact O-OD1 3.37Å
277	Y	94.5	Very high	95.9	Very high	165 Å²	165	81 Å²	81	65%	0.647	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-13.2	179.2	54.1	-90.7	0	0	0	112.9	Y275	Y275-Y277 VanDerWaalsContact C-N 3.31Å; Y275-Y277 AromaticContact CD1-CE1 3.68Å; Y275-Y277 HydrophobicContact CD1-CE1 3.68Å; Y275-Y277 AromaticContact CD1-CZ 3.73Å; Y275-Y277 WeakPolarHBondContact CD1-OH 3.42Å; Y275-Y277 HydrophobicContact CG-CE1 4.13Å; Y275-Y277 PolarHBondContact O-N 3.25Å
278	F	94.1	Very high	96.2	Very high	131 Å²	131	73.5 Å²	73.5	58%	0.575	35%	0.346	S	S	*	.	S	Bend	trans	-90.9	162.5	170.7	-64.6	-55.9	0	0	0	110.8	Y275	Y275-F278 HydrophobicContact CG-CD2 4.31Å; Y275-F278 HydrophobicContact CG-CE2 4.42Å
279	K	95.1	Very high	96.3	Very high	195 Å²	195	74.6 Å²	74.6	85%	0.848	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-60.3	133.2	173.2	-67.8	-178	179.5	180	0	109.3
280	P	96.1	Very high	96.3	Very high	92 Å²	92	76 Å²	76	60%	0.597	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-65.2	149.7	176.4	27.7	-34.1	0	0	0	110.7	P273	P273-P280 HydrophobicContact CG-CB 4.35Å
281	P	97.4	Very high	96.2	Very high	27 Å²	27	78 Å²	78	18%	0.175	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-64.2	140.9	177.4	26.6	-32.8	0	0	0	111	M256 D285 V287	M256-P281 HydrophobicContact CE-CG 4.14Å; M256-P281 HydrophobicContact SD-CG 3.99Å; P281-D285 HydrophobicContact CB-CB 4.05Å; P281-V287 HydrophobicContact CB-CG1 3.86Å; P281-V287 HydrophobicContact CG-CG1 3.86Å
282	T	97.8	Very high	95.9	Very high	69 Å²	69	78.5 Å²	78.5	42%	0.423	38%	0.378	S	S	.	.			trans	-91.8	174.2	171.7	68.9	0	0	0	0	110.7	H201 R284 D285	H201-T282 PolarHBondContact CE1-O 3.27Å; H201-T282 VanDerWaalsContact CE1-O 3.25Å; H201-T282 PolarHBondContact NE2-O 3.42Å; T282-R284 PolarHBondContact O-N 3.18Å; T282-R284 PolarHBondContact OG1-N 3.5Å; T282-D285 WeakPolarHBondContact CB-OD2 3.43Å; T282-D285 PolarHBondContact N-OD2 3.03Å; T282-D285 PolarHBondContact O-N 3.46Å; T282-D285 VanDerWaalsContact O-N 3.07Å; T282-D285 PolarHBondContact OG1-OD2 3.34Å
283	E	96.5	Very high	95.7	Very high	137 Å²	137	75.5 Å²	75.5	64%	0.64	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-10.7	173.7	-61.4	179	171.9	0	0	113.9	A205	A205-E283 WeakPolarHBondContact CA-O 3.25Å; A205-E283 WeakPolarHBondContact CB-O 3.16Å; A205-E283 PolarHBondContact N-O 3.1Å
284	R	97.6	Very high	95.4	Very high	112 Å²	112	79 Å²	79	42%	0.423	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-6.5	177.7	-61.5	176.3	172.1	90.9	1.7	113.3	T208 D212 K249 T282	T208-R284 HydrophobicContact CG2-CG 3.93Å; D212-R284 IonicContact OD1-CZ 3.29Å; D212-R284 IonicContact OD1-NE 3.37Å; D212-R284 PolarHBondContact OD1-NE 3.1Å; D212-R284 IonicContact OD1-NH2 3.22Å; D212-R284 PolarHBondContact OD1-NH2 3.48Å; D212-R284 VanDerWaalsContact OD1-NH2 3.16Å; D212-R284 WeakPolarHBondContact OD2-CD 3.49Å; D212-R284 IonicContact OD2-CZ 2.79Å; D212-R284 IonicContact OD2-NE 3.57Å; D212-R284 PolarHBondContact OD2-NE 3.37Å; K249-R284 VanDerWaalsContact CE-O 3.29Å; K249-R284 WeakPolarHBondContact CE-O 3.46Å; T282-R284 PolarHBondContact O-N 3.18Å; T282-R284 PolarHBondContact OG1-N 3.5Å
285	D	98.4	Very high	95.2	Very high	26 Å²	26	76 Å²	76	14%	0.139	38%	0.375	C	S	.	.	S	Bend	trans	-98.6	159.4	-176.1	-59.3	-49.1	0	0	0	110.5	H201 A205 K249 P281 T282	H201-D285 PolarHBondContact CD2-O 2.92Å; H201-D285 PolarHBondContact NE2-O 3.03Å; A205-D285 WeakPolarHBondContact CB-O 3.47Å; K249-D285 IonicContact NZ-OD1 3.95Å; K249-D285 PolarHBondContact NZ-OD1 3.45Å; P281-D285 HydrophobicContact CB-CB 4.05Å; T282-D285 WeakPolarHBondContact CB-OD2 3.43Å; T282-D285 PolarHBondContact N-OD2 3.03Å; T282-D285 PolarHBondContact O-N 3.46Å; T282-D285 VanDerWaalsContact O-N 3.07Å; T282-D285 PolarHBondContact OG1-OD2 3.34Å
286	L	98.6	Very high	95.1	Very high	1 Å²	1	71.9 Å²	71.9	1%	0.005	36%	0.36	C	S	.	.			trans	-94.3	143.4	174.7	-65.7	-177.9	0	0	0	110.5	A125 F126 A129 N202 A205 M246 K249 A253 S254	A125-L286 HydrophobicContact CB-CB 4.41Å; F126-L286 HydrophobicContact CB-CD1 4.24Å; F126-L286 HydrophobicContact CD2-CD1 4.44Å; A129-L286 HydrophobicContact CB-CD2 3.59Å; N202-L286 HydrophobicContact CB-CD2 4.05Å; N202-L286 WeakPolarHBondContact OD1-CA 3.27Å; N202-L286 WeakPolarHBondContact OD1-CD2 3.44Å; A205-L286 HydrophobicContact CB-CD2 4.12Å; M246-L286 HydrophobicContact CE-CD1 3.95Å; M246-L286 HydrophobicContact CE-CD2 3.64Å; M246-L286 HydrophobicContact CE-CG 3.9Å; K249-L286 HydrophobicContact CB-CD1 4.23Å; K249-L286 HydrophobicContact CB-CG 4.09Å; A253-L286 CarbonylContact C-O 3.48Å; A253-L286 VanDerWaalsContact CA-O 3.32Å; A253-L286 WeakPolarHBondContact CA-O 3.36Å; A253-L286 HydrophobicContact CB-CB 3.88Å; S254-L286 PolarHBondContact N-O 3.39Å
287	V	98.4	Very high	95	Very high	2 Å²	2	71.3 Å²	71.3	1%	0.012	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	144.2	178	-60.3	0	0	0	0	111.8	A125 M198 H201 N202 S254 M256 L271 P281	A125-V287 WeakPolarHBondContact CB-O 3.03Å; M198-V287 HydrophobicContact CG-CG2 4.07Å; M198-V287 VanDerWaalsContact CG-O 3.27Å; M198-V287 WeakPolarHBondContact CG-O 3.45Å; H201-V287 HydrophobicContact CB-CG2 4Å; H201-V287 VanDerWaalsContact CD2-CG2 3.41Å; H201-V287 WeakPolarHBondContact CD2-CG2 3.35Å; H201-V287 WeakPolarHBondContact NE2-CG1 3.38Å; N202-V287 PolarHBondContact ND2-O 3.27Å; N202-V287 PolarHBondContact OD1-N 2.99Å; N202-V287 PolarHBondContact OD1-O 3.13Å; S254-V287 WeakPolarHBondContact O-CA 3.46Å; M256-V287 HydrophobicContact CE-CG1 4.5Å; M256-V287 HydrophobicContact CG-CB 3.74Å; M256-V287 HydrophobicContact CG-CG1 4.12Å; M256-V287 HydrophobicContact SD-CB 4.33Å; M256-V287 HydrophobicContact SD-CG1 4.04Å; L271-V287 HydrophobicContact CD1-CG2 4.37Å; P281-V287 HydrophobicContact CB-CG1 3.86Å; P281-V287 HydrophobicContact CG-CG1 3.86Å
288	Y	97.9	Very high	94.7	Very high	22 Å²	22	68 Å²	68	9%	0.086	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	161.9	175.7	74.4	-83	0	0	0	110.1	A120 R122 A253 S254 E255 M256 E290	A120-Y288 WeakPolarHBondContact O-CB 3.12Å; R122-Y288 HydrophobicContact CB-CD1 4.13Å; R122-Y288 HydrophobicContact CB-CD2 4.46Å; R122-Y288 HydrophobicContact CB-CE1 4.35Å; R122-Y288 HydrophobicContact CB-CG 4.18Å; R122-Y288 HydrophobicContact CG-CD1 4.13Å; R122-Y288 HydrophobicContact CG-CE1 4.23Å; R122-Y288 PolarHBondContact NH2-OH 3.33Å; A253-Y288 HydrophobicContact CB-CD1 3.93Å; A253-Y288 HydrophobicContact CB-CE1 4.09Å; S254-Y288 PolarHBondContact O-N 3.41Å; S254-Y288 VanDerWaalsContact O-N 3.07Å; E255-Y288 CarbonylContact C-O 3.53Å; E255-Y288 WeakPolarHBondContact CA-O 3.16Å; E255-Y288 HydrophobicContact CB-CE1 4.17Å; E255-Y288 HydrophobicContact CB-CE2 4.17Å; E255-Y288 HydrophobicContact CG-CD2 4.45Å; E255-Y288 HydrophobicContact CG-CE2 3.86Å; M256-Y288 PolarHBondContact N-O 2.78Å; Y288-E290 VanDerWaalsContact CD2-O 3.31Å; Y288-E290 WeakPolarHBondContact CD2-O 3.25Å
289	Y	96.6	Very high	94.1	Very high	45 Å²	45	64.3 Å²	64.3	18%	0.176	34%	0.342	C	S	.	.			trans	-137.9	-1.9	-179.6	65.7	-100.5	0	0	0	114.6	A120 A194 M198 M256 V258 L271	A120-Y289 HydrophobicContact CB-CD1 3.68Å; A120-Y289 HydrophobicContact CB-CD2 3.85Å; A120-Y289 HydrophobicContact CB-CE1 3.28Å; A120-Y289 HydrophobicContact CB-CE2 3.45Å; A120-Y289 VanDerWaalsContact CB-CE2 3.45Å; A120-Y289 HydrophobicContact CB-CG 3.95Å; A120-Y289 WeakPolarHBondContact CB-OH 3.37Å; A120-Y289 PolarHBondContact O-N 3.13Å; A120-Y289 VanDerWaalsContact O-N 3.13Å; A194-Y289 HydrophobicContact CB-CE1 3.94Å; M198-Y289 HydrophobicContact CB-CD1 4.39Å; M198-Y289 HydrophobicContact CB-CE1 4.16Å; M198-Y289 HydrophobicContact CG-CD1 4.49Å; M198-Y289 HydrophobicContact SD-CD1 4.11Å; M198-Y289 HydrophobicContact SD-CE1 4.12Å; M256-Y289 VanDerWaalsContact O-CB 3.28Å; M256-Y289 WeakPolarHBondContact O-CB 3.4Å; V258-Y289 HydrophobicContact CG2-CD1 4.44Å; V258-Y289 HydrophobicContact CG2-CD2 3.8Å; V258-Y289 HydrophobicContact CG2-CE2 4.1Å; V258-Y289 HydrophobicContact CG2-CG 4.01Å; L271-Y289 HydrophobicContact CD2-CD1 3.68Å; L271-Y289 HydrophobicContact CD2-CE1 4.23Å; L271-Y289 HydrophobicContact CD2-CG 4.3Å
290	E	93.6	Very high	93.1	Very high	77 Å²	77	58.4 Å²	58.4	36%	0.36	32%	0.323	S	S	.	.	S	Bend	trans	-115	140.6	172.1	-72	172.4	-172.3	0	0	110.6	T119 A120 Y288	T119-E290 WeakPolarHBondContact CA-OE2 3.34Å; T119-E290 WeakPolarHBondContact CB-OE2 3.39Å; A120-E290 HydrophobicContact CB-CB 4.14Å; A120-E290 HydrophobicContact CB-CG 3.96Å; A120-E290 PolarHBondContact N-OE2 3.43Å; A120-E290 PolarHBondContact O-N 3.16Å; Y288-E290 VanDerWaalsContact CD2-O 3.31Å; Y288-E290 WeakPolarHBondContact CD2-O 3.25Å
291	S	93	Very high	92	Very high	96 Å²	96	60.5 Å²	60.5	67%	0.671	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-69.2	138.1	176.4	-67.4	0	0	0	0	111.2
292	S	91.8	Very high	90.6	Very high	46 Å²	46	60.2 Å²	60.2	32%	0.322	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-64.3	138	175.9	-56.3	0	0	0	0	111	E123	E123-S292 PolarHBondContact OE1-OG 2.95Å; E123-S292 VanDerWaalsContact OE2-CB 3.3Å; E123-S292 WeakPolarHBondContact OE2-CB 3.44Å; E123-S292 PolarHBondContact OE2-OG 3.37Å
293	P	90.7	Very high	89.3	Confident	35 Å²	35	57.1 Å²	57.1	23%	0.227	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-69.9	168.2	177.8	31	-35.9	0	0	0	111.4	F295 T302	P293-F295 HydrophobicContact CG-CD1 4.36Å; P293-F295 HydrophobicContact CG-CE1 3.72Å; P293-F295 HydrophobicContact CG-CZ 3.85Å; P293-F295 WeakPolarHBondContact O-CD2 3.22Å; P293-F295 PolarHBondContact O-N 3.04Å; P293-T302 HydrophobicContact CB-CG2 3.56Å; P293-T302 HydrophobicContact CG-CG2 3.89Å
294	N	90.3	Very high	88.6	Confident	103 Å²	103	51 Å²	51	55%	0.551	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-73.4	119.4	168.2	-170.7	-12.9	0	0	0	110.2	C296	N294-C296 WeakPolarHBondContact OD1-CB 3.46Å; N294-C296 PolarHBondContact OD1-N 3.17Å; N294-C296 PolarHBondContact OD1-SG 2.66Å
295	F	92.3	Very high	87.9	Confident	19 Å²	19	52.2 Å²	52.2	8%	0.083	29%	0.286	C	S	.	.			trans	-90.9	4.9	179	-59.4	-70	0	0	0	114.4	R85 W86 E123 P293 S304 G306	R85-F295 HydrophobicContact CB-CB 3.75Å; W86-F295 HydrophobicContact CB-CD1 3.88Å; W86-F295 HydrophobicContact CB-CD2 3.85Å; W86-F295 HydrophobicContact CB-CE1 3.92Å; W86-F295 HydrophobicContact CB-CE2 3.88Å; W86-F295 HydrophobicContact CB-CG 3.84Å; W86-F295 HydrophobicContact CB-CZ 3.92Å; W86-F295 AromaticContact CD1-CE1 3.74Å; W86-F295 HydrophobicContact CG-CD1 4.36Å; W86-F295 HydrophobicContact CG-CE1 4.03Å; W86-F295 HydrophobicContact CG-CZ 4.13Å; E123-F295 HydrophobicContact CG-CE2 4.41Å; E123-F295 HydrophobicContact CG-CZ 4.19Å; P293-F295 HydrophobicContact CG-CD1 4.36Å; P293-F295 HydrophobicContact CG-CE1 3.72Å; P293-F295 HydrophobicContact CG-CZ 3.85Å; P293-F295 WeakPolarHBondContact O-CD2 3.22Å; P293-F295 PolarHBondContact O-N 3.04Å; F295-S304 WeakPolarHBondContact CA-OG 3.5Å; F295-S304 PolarHBondContact O-OG 2.92Å; F295-G306 WeakPolarHBondContact O-CA 3.27Å
296	C	93.1	Very high	87.5	Confident	8 Å²	8	51.5 Å²	51.5	5%	0.054	28%	0.284	C	S	.	.	S	Bend	trans	-66.2	-44.3	-177.8	-74.7	0	0	0	0	113.1	N294 G306 T307 C327 R329	N294-C296 WeakPolarHBondContact OD1-CB 3.46Å; N294-C296 PolarHBondContact OD1-N 3.17Å; N294-C296 PolarHBondContact OD1-SG 2.66Å; C296-G306 WeakPolarHBondContact O-CA 3.28Å; C296-T307 PolarHBondContact O-N 3.36Å; C296-T307 PolarHBondContact O-OG1 3.45Å; C296-C327 VanDerWaalsContact CA-SG 3.51Å; C296-C327 HydrophobicContact CB-CB 3.69Å; C296-C327 WeakPolarHBondContact CB-SG 3.43Å; C296-C327 WeakPolarHBondContact SG-CB 3.46Å; C296-C327 CovalentContact SG-SG 2.02Å; C296-C327 PolarHBondContact SG-SG 3.41Å; C296-R329 PolarHBondContact O-NH1 3.11Å
297	D	91.7	Very high	87.3	Confident	89 Å²	89	51.4 Å²	51.4	48%	0.476	28%	0.284	S	S	.	.	S	Bend	trans	-110	151.5	-174.1	-59.6	-44.5	0	0	0	110.1	N299 S304 R329	D297-N299 PolarHBondContact O-N 3.45Å; D297-S304 PolarHBondContact O-OG 2.73Å; D297-R329 IonicContact OD1-NH1 3.56Å; D297-R329 PolarHBondContact OD1-NH1 3.34Å
298	P	87.3	Confident	87.1	Confident	95 Å²	95	59.3 Å²	59.3	62%	0.617	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64	122.8	175.9	25.4	-32.5	0	0	0	109.4	S304	P298-S304 CarbonylContact C-O 3.53Å; P298-S304 WeakPolarHBondContact CA-O 3.45Å
299	N	81.4	Confident	86.9	Confident	54 Å²	54	63.2 Å²	63.2	29%	0.289	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	105.9	176.2	-176.3	-12.4	0	0	0	109.7	D297 E301 T302 G303 S304	D297-N299 PolarHBondContact O-N 3.45Å; N299-E301 PolarHBondContact O-N 2.87Å; N299-E301 VanDerWaalsContact OD1-CB 3.31Å; N299-E301 WeakPolarHBondContact OD1-CB 3.19Å; N299-E301 PolarHBondContact OD1-N 2.85Å; N299-T302 WeakPolarHBondContact CB-OG1 3.42Å; N299-T302 PolarHBondContact O-N 3.25Å; N299-T302 PolarHBondContact O-OG1 2.81Å; N299-G303 PolarHBondContact O-N 3.36Å; N299-S304 PolarHBondContact N-O 3.04Å; N299-S304 PolarHBondContact O-N 3.37Å
300	P	75.5	Confident	86.7	Confident	71 Å²	71	62.7 Å²	62.7	46%	0.461	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-27.4	177.2	-23.5	34.3	0	0	0	114.1
301	E	71.4	Confident	86.8	Confident	136 Å²	136	64.3 Å²	64.3	64%	0.636	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-34.6	-178.8	-57.9	-170.9	157	0	0	112.3	R115 N299	R115-E301 WeakPolarHBondContact CD-O 3.33Å; R115-E301 WeakPolarHBondContact CG-O 3.33Å; N299-E301 PolarHBondContact O-N 2.87Å; N299-E301 VanDerWaalsContact OD1-CB 3.31Å; N299-E301 WeakPolarHBondContact OD1-CB 3.19Å; N299-E301 PolarHBondContact OD1-N 2.85Å
302	T	69.1	Low	86.8	Confident	21 Å²	21	60.1 Å²	60.1	13%	0.129	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-23.2	175.4	62	0	0	0	0	111.3	Q116 P293 N299 S304	Q116-T302 WeakPolarHBondContact CA-O 3.44Å; Q116-T302 VanDerWaalsContact CB-O 3.3Å; Q116-T302 WeakPolarHBondContact CB-O 3.27Å; Q116-T302 PolarHBondContact N-O 3.43Å; Q116-T302 PolarHBondContact OE1-O 2.92Å; P293-T302 HydrophobicContact CB-CG2 3.56Å; P293-T302 HydrophobicContact CG-CG2 3.89Å; N299-T302 WeakPolarHBondContact CB-OG1 3.42Å; N299-T302 PolarHBondContact O-N 3.25Å; N299-T302 PolarHBondContact O-OG1 2.81Å; T302-S304 WeakPolarHBondContact OG1-CB 3.41Å; T302-S304 PolarHBondContact OG1-N 2.94Å
303	G	70.3	Confident	87	Confident	4 Å²	4	61 Å²	61	4%	0.041	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.6	12.3	-171.1	0	0	0	0	0	112.8	T90 N299	T90-G303 WeakPolarHBondContact CG2-O 3.43Å; N299-G303 PolarHBondContact O-N 3.36Å
304	S	80.8	Confident	87.1	Confident	9 Å²	9	63.7 Å²	63.7	6%	0.063	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	127.8	172.4	176.2	0	0	0	0	110.4	F295 D297 P298 N299 T302 G306	F295-S304 WeakPolarHBondContact CA-OG 3.5Å; F295-S304 PolarHBondContact O-OG 2.92Å; D297-S304 PolarHBondContact O-OG 2.73Å; P298-S304 CarbonylContact C-O 3.53Å; P298-S304 WeakPolarHBondContact CA-O 3.45Å; N299-S304 PolarHBondContact N-O 3.04Å; N299-S304 PolarHBondContact O-N 3.37Å; T302-S304 WeakPolarHBondContact OG1-CB 3.41Å; T302-S304 PolarHBondContact OG1-N 2.94Å; S304-G306 VanDerWaalsContact C-N 3.29Å; S304-G306 PolarHBondContact OG-N 3.09Å
305	F	84.3	Confident	87.2	Confident	138 Å²	138	64.6 Å²	64.6	61%	0.605	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.9	-8.4	169.7	-70.4	-72.4	0	0	0	113.1	T90	T90-F305 HydrophobicContact CG2-CD2 3.53Å; T90-F305 HydrophobicContact CG2-CE2 3.43Å; T90-F305 VanDerWaalsContact CG2-CE2 3.43Å
306	G	89.6	Confident	87.3	Confident	10 Å²	10	64.9 Å²	64.9	10%	0.103	34%	0.341	C	S	.	.			trans	75.7	-178.9	-168.5	0	0	0	0	0	112.5	F295 C296 S304	F295-G306 WeakPolarHBondContact O-CA 3.27Å; C296-G306 WeakPolarHBondContact O-CA 3.28Å; S304-G306 VanDerWaalsContact C-N 3.29Å; S304-G306 PolarHBondContact OG-N 3.09Å
307	T	94.3	Very high	87.2	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	38%	0.376	C	S	.	.	S	Bend	trans	-109	5.5	-177.8	59.6	0	0	0	0	114.9	R85 C296 R310 L325 R329 C366	R85-T307 HydrophobicContact CB-CG2 3.75Å; R85-T307 HydrophobicContact CG-CG2 3.92Å; C296-T307 PolarHBondContact O-N 3.36Å; C296-T307 PolarHBondContact O-OG1 3.45Å; T307-R310 VanDerWaalsContact O-CB 3.28Å; T307-R310 WeakPolarHBondContact O-CB 3.4Å; T307-R310 WeakPolarHBondContact O-CG 3.19Å; T307-R310 PolarHBondContact O-N 3.46Å; T307-L325 WeakPolarHBondContact CB-O 3.49Å; T307-L325 HydrophobicContact CG2-CD1 4.41Å; T307-L325 WeakPolarHBondContact CG2-O 3.3Å; T307-L325 PolarHBondContact OG1-O 3.06Å; T307-R329 PolarHBondContact OG1-NH2 2.96Å; T307-C366 WeakPolarHBondContact O-CB 3.36Å
308	R	94.2	Very high	87.1	Confident	167 Å²	167	69.8 Å²	69.8	63%	0.63	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	143.4	175.9	-179.8	167.6	176.1	167.2	5.6	111.5	R310 K367	R308-R310 PolarHBondContact O-N 2.73Å; R308-K367 VanDerWaalsContact CD-OXT 3.26Å; R308-K367 WeakPolarHBondContact CD-OXT 3.34Å; R308-K367 WeakPolarHBondContact CG-OXT 3.47Å; R308-K367 PolarHBondContact NE-OXT 3.24Å
309	D	93.4	Very high	87.3	Confident	105 Å²	105	68.7 Å²	68.7	56%	0.561	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	61	8	-178.5	-58	-48.4	0	0	0	115.3	C366	D309-C366 PolarHBondContact N-O 2.88Å
310	R	93.4	Very high	87.9	Confident	34 Å²	34	68.8 Å²	68.8	13%	0.128	36%	0.357	C	S	.	.			trans	-77	138.3	174.4	-67.6	-166.6	60.5	-174.8	-8.3	111.5	R82 R84 R85 T307 R308 C312 L325 T365 C366	R82-R310 PolarHBondContact O-NH2 2.02Å; R84-R310 PolarHBondContact O-NH1 2.79Å; R84-R310 PolarHBondContact O-NH2 3.49Å; R85-R310 PolarHBondContact O-NH1 3.48Å; T307-R310 VanDerWaalsContact O-CB 3.28Å; T307-R310 WeakPolarHBondContact O-CB 3.4Å; T307-R310 WeakPolarHBondContact O-CG 3.19Å; T307-R310 PolarHBondContact O-N 3.46Å; R308-R310 PolarHBondContact O-N 2.73Å; R310-C312 PolarHBondContact O-N 3Å; R310-L325 HydrophobicContact CB-CD2 4.5Å; R310-T365 CarbonylContact O-C 3.24Å; R310-T365 VanDerWaalsContact O-CA 3.23Å; R310-T365 WeakPolarHBondContact O-CA 3.35Å; R310-C366 PolarHBondContact O-N 2.99Å
311	I	94.1	Very high	88.8	Confident	110 Å²	110	65.5 Å²	65.5	56%	0.564	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.5	129.4	173.7	-58	171.7	0	0	0	108.6	L325 V363 H364 T365	I311-L325 VanDerWaalsContact O-CD2 3.29Å; I311-L325 WeakPolarHBondContact O-CD2 3.16Å; I311-V363 HydrophobicContact CD1-CG1 4.42Å; I311-V363 HydrophobicContact CG1-CG1 4.19Å; I311-V363 HydrophobicContact CG2-CG1 4.33Å; I311-H364 VanDerWaalsContact CA-O 3.29Å; I311-H364 WeakPolarHBondContact CA-O 3.29Å; I311-T365 HydrophobicContact CG1-CG2 4.23Å
312	C	94.9	Very high	90	Very high	9 Å²	9	59.2 Å²	59.2	6%	0.061	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	157.2	176.9	66.7	0	0	0	0	111.1	R310 C322 L325 H364	R310-C312 PolarHBondContact O-N 3Å; C312-C322 VanDerWaalsContact C-SG 3.59Å; C312-C322 HydrophobicContact CB-CB 3.84Å; C312-C322 WeakPolarHBondContact CB-SG 3Å; C312-C322 VanDerWaalsContact SG-CA 3.54Å; C312-C322 WeakPolarHBondContact SG-CB 3.42Å; C312-C322 CovalentContact SG-SG 2.04Å; C312-C322 PolarHBondContact SG-SG 2.96Å; C312-L325 HydrophobicContact CB-CB 4.45Å; C312-L325 HydrophobicContact CB-CD2 3.93Å; C312-H364 PolarHBondContact N-O 3.09Å
313	N	94.8	Very high	91.2	Very high	63 Å²	63	63.9 Å²	63.9	34%	0.337	33%	0.331	S	S	.	.	B	Isolated β-bridge	trans	-97.6	115.8	179.7	-173.4	-10.5	0	0	0	110.1	T315 S316 D320 G321 C322	N313-T315 VanDerWaalsContact C-N 3.33Å; N313-T315 PolarHBondContact O-N 2.83Å; N313-T315 PolarHBondContact OD1-N 2.79Å; N313-T315 VanDerWaalsContact OD1-N 3.1Å; N313-T315 PolarHBondContact OD1-OG1 2.88Å; N313-S316 PolarHBondContact OD1-N 2.79Å; N313-D320 PolarHBondContact N-O 2.9Å; N313-D320 PolarHBondContact ND2-OD2 3.18Å; N313-G321 VanDerWaalsContact O-CA 3.28Å; N313-G321 WeakPolarHBondContact O-CA 3.45Å; N313-C322 PolarHBondContact O-N 3.2Å
314	L	93.4	Very high	92.3	Very high	93 Å²	93	67.3 Å²	67.3	49%	0.487	35%	0.348	S	S	.	.	S	Bend	trans	-70.9	-29.8	-178.6	-168	67.7	0	0	0	112.5	H331	L314-H331 VanDerWaalsContact CD1-NE2 3.33Å; L314-H331 WeakPolarHBondContact CD1-NE2 3.41Å
315	T	92.4	Very high	93	Very high	121 Å²	121	67 Å²	67	74%	0.742	35%	0.345	S	S	*	.	S	Bend	trans	-85.3	-12.5	-178.1	57.2	0	0	0	0	113.2	N313	N313-T315 VanDerWaalsContact C-N 3.33Å; N313-T315 PolarHBondContact O-N 2.83Å; N313-T315 PolarHBondContact OD1-N 2.79Å; N313-T315 VanDerWaalsContact OD1-N 3.1Å; N313-T315 PolarHBondContact OD1-OG1 2.88Å
316	S	93.3	Very high	93.6	Very high	26 Å²	26	60.4 Å²	60.4	18%	0.182	32%	0.316	C	S	.	.			trans	-88.9	131.7	178.7	-176.5	0	0	0	0	110.9	N313 G318 D320 G321	N313-S316 PolarHBondContact OD1-N 2.79Å; S316-G318 VanDerWaalsContact C-N 3.32Å; S316-G318 PolarHBondContact OG-N 3.11Å; S316-D320 WeakPolarHBondContact CB-OD1 3.41Å; S316-D320 WeakPolarHBondContact CB-OD2 3.29Å; S316-D320 PolarHBondContact OG-OD1 2.7Å; S316-D320 PolarHBondContact OG-OD2 2.87Å; S316-G321 WeakPolarHBondContact O-CA 3.25Å
317	H	90.9	Very high	93.8	Very high	170 Å²	170	61.7 Å²	61.7	79%	0.787	32%	0.323	S	S	*	.			trans	-91.5	2.3	166.2	-61.4	-70.4	0	0	0	112.5
318	G	91.4	Very high	93.8	Very high	30 Å²	30	65 Å²	65	31%	0.309	36%	0.357	S	S	.	.	S	Bend	trans	-83.3	-168.8	178.3	0	0	0	0	0	113.3	S316 D320 G321 L324	S316-G318 VanDerWaalsContact C-N 3.32Å; S316-G318 PolarHBondContact OG-N 3.11Å; G318-D320 PolarHBondContact O-N 3.16Å; G318-G321 WeakPolarHBondContact O-CA 3.34Å; G318-G321 PolarHBondContact O-N 3.39Å; G318-L324 WeakPolarHBondContact O-CD1 3.48Å
319	I	91.3	Very high	93.8	Very high	72 Å²	72	60.9 Å²	60.9	37%	0.369	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-28.6	-176.6	-59	170.7	0	0	0	112.2	R84 L325	R84-I319 HydrophobicContact CB-CG2 4.38Å; R84-I319 HydrophobicContact CG-CG2 4.16Å; I319-L325 WeakPolarHBondContact O-CB 3.5Å
320	D	92.4	Very high	93.9	Very high	56 Å²	56	57.4 Å²	57.4	30%	0.299	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-10.1	173.8	67.6	-46.6	0	0	0	113.2	G83 N313 S316 G318	G83-D320 WeakPolarHBondContact O-CA 3.42Å; N313-D320 PolarHBondContact N-O 2.9Å; N313-D320 PolarHBondContact ND2-OD2 3.18Å; S316-D320 WeakPolarHBondContact CB-OD1 3.41Å; S316-D320 WeakPolarHBondContact CB-OD2 3.29Å; S316-D320 PolarHBondContact OG-OD1 2.7Å; S316-D320 PolarHBondContact OG-OD2 2.87Å; G318-D320 PolarHBondContact O-N 3.16Å
321	G	95.6	Very high	94	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.01	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-64.2	146.2	176.5	0	0	0	0	0	112.9	N313 S316 G318 D323 L324 L325	N313-G321 VanDerWaalsContact O-CA 3.28Å; N313-G321 WeakPolarHBondContact O-CA 3.45Å; S316-G321 WeakPolarHBondContact O-CA 3.25Å; G318-G321 WeakPolarHBondContact O-CA 3.34Å; G318-G321 PolarHBondContact O-N 3.39Å; G321-D323 VanDerWaalsContact C-N 3.26Å; G321-D323 PolarHBondContact O-N 3.16Å; G321-L324 PolarHBondContact O-N 2.99Å; G321-L325 WeakPolarHBondContact O-CB 3.3Å; G321-L325 PolarHBondContact O-N 3.16Å
322	C	95.5	Very high	94.2	Very high	5 Å²	5	56.6 Å²	56.6	3%	0.034	33%	0.329	C	S	.	.	H	α-helix	trans	-59.4	-34.2	-179.2	-65.1	0	0	0	0	113.3	C312 N313 C326 H331	C312-C322 VanDerWaalsContact C-SG 3.59Å; C312-C322 HydrophobicContact CB-CB 3.84Å; C312-C322 WeakPolarHBondContact CB-SG 3Å; C312-C322 VanDerWaalsContact SG-CA 3.54Å; C312-C322 WeakPolarHBondContact SG-CB 3.42Å; C312-C322 CovalentContact SG-SG 2.04Å; C312-C322 PolarHBondContact SG-SG 2.96Å; N313-C322 PolarHBondContact O-N 3.2Å; C322-C326 WeakPolarHBondContact O-CB 3.45Å; C322-C326 PolarHBondContact O-N 3.23Å; C322-C326 VanDerWaalsContact O-N 3.13Å; C322-C326 PolarHBondContact O-SG 3.34Å; C322-H331 HydrophobicContact CB-CB 4.47Å
323	D	93.9	Very high	94.2	Very high	119 Å²	119	60 Å²	60	64%	0.636	35%	0.349	S	S	*	.	H	α-helix	trans	-64.5	-46.5	179	-63.4	-28.8	0	0	0	112.2	G321 C327 G328	G321-D323 VanDerWaalsContact C-N 3.26Å; G321-D323 PolarHBondContact O-N 3.16Å; D323-C327 PolarHBondContact O-N 3.29Å; D323-G328 PolarHBondContact O-N 2.02Å
324	L	94.4	Very high	94.2	Very high	76 Å²	76	63 Å²	63	40%	0.398	36%	0.356	S	S	.	.	H	α-helix	trans	-83.9	-41.9	-176.6	-66.4	-176.7	0	0	0	112.5	R85 G318 G321 C327	R85-L324 VanDerWaalsContact CZ-O 3.26Å; R85-L324 PolarHBondContact NE-O 3.43Å; R85-L324 PolarHBondContact NH2-O 3.3Å; G318-L324 WeakPolarHBondContact O-CD1 3.48Å; G321-L324 PolarHBondContact O-N 2.99Å; L324-C327 PolarHBondContact O-N 3.33Å
325	L	95.5	Very high	94.3	Very high	1 Å²	1	63 Å²	63	1%	0.005	36%	0.36	C	S	.	.	H	α-helix	trans	-67.8	-40	-179.2	-169.9	62.2	0	0	0	111.3	R85 T307 R310 I311 C312 I319 G321 C327	R85-L325 HydrophobicContact CG-CD1 4.12Å; T307-L325 WeakPolarHBondContact CB-O 3.49Å; T307-L325 HydrophobicContact CG2-CD1 4.41Å; T307-L325 WeakPolarHBondContact CG2-O 3.3Å; T307-L325 PolarHBondContact OG1-O 3.06Å; R310-L325 HydrophobicContact CB-CD2 4.5Å; I311-L325 VanDerWaalsContact O-CD2 3.29Å; I311-L325 WeakPolarHBondContact O-CD2 3.16Å; C312-L325 HydrophobicContact CB-CB 4.45Å; C312-L325 HydrophobicContact CB-CD2 3.93Å; I319-L325 WeakPolarHBondContact O-CB 3.5Å; G321-L325 WeakPolarHBondContact O-CB 3.3Å; G321-L325 PolarHBondContact O-N 3.16Å; L325-C327 VanDerWaalsContact C-N 3.28Å; L325-C327 PolarHBondContact O-N 3.27Å
326	C	96.1	Very high	94.4	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	3.6	-179.7	-46.5	0	0	0	0	113.5	C322 G328 R329 G330 C366	C322-C326 WeakPolarHBondContact O-CB 3.45Å; C322-C326 PolarHBondContact O-N 3.23Å; C322-C326 VanDerWaalsContact O-N 3.13Å; C322-C326 PolarHBondContact O-SG 3.34Å; C326-G328 VanDerWaalsContact C-N 3.25Å; C326-G328 PolarHBondContact O-N 3.09Å; C326-R329 WeakPolarHBondContact O-CB 3.03Å; C326-R329 WeakPolarHBondContact O-CG 2.99Å; C326-R329 PolarHBondContact O-N 3.42Å; C326-G330 WeakPolarHBondContact CB-O 3.11Å; C326-C366 WeakPolarHBondContact CA-SG 3.4Å; C326-C366 HydrophobicContact CB-CB 3.54Å; C326-C366 WeakPolarHBondContact CB-SG 3.37Å; C326-C366 WeakPolarHBondContact SG-CA 3.36Å; C326-C366 WeakPolarHBondContact SG-CB 3.35Å; C326-C366 CovalentContact SG-SG 2.03Å; C326-C366 PolarHBondContact SG-SG 3.29Å
327	C	95.3	Very high	94.5	Very high	37 Å²	37	66 Å²	66	25%	0.25	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	38.6	174.8	-51.5	0	0	0	0	113.5	R85 C296 D323 L324 L325 R329	R85-C327 PolarHBondContact NE-SG 2.81Å; C296-C327 VanDerWaalsContact CA-SG 3.51Å; C296-C327 HydrophobicContact CB-CB 3.69Å; C296-C327 WeakPolarHBondContact CB-SG 3.43Å; C296-C327 WeakPolarHBondContact SG-CB 3.46Å; C296-C327 CovalentContact SG-SG 2.02Å; C296-C327 PolarHBondContact SG-SG 3.41Å; D323-C327 PolarHBondContact O-N 3.29Å; L324-C327 PolarHBondContact O-N 3.33Å; L325-C327 VanDerWaalsContact C-N 3.28Å; L325-C327 PolarHBondContact O-N 3.27Å; C327-R329 VanDerWaalsContact C-N 3.27Å; C327-R329 PolarHBondContact O-N 3.49Å
328	G	93.6	Very high	94.7	Very high	69 Å²	69	63.3 Å²	63.3	71%	0.711	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.2	1.3	-179.8	0	0	0	0	0	116.1	D323 C326 G330	D323-G328 PolarHBondContact O-N 2.02Å; C326-G328 VanDerWaalsContact C-N 3.25Å; C326-G328 PolarHBondContact O-N 3.09Å; G328-G330 PolarHBondContact O-N 2.03Å
329	R	95.1	Very high	94.9	Very high	82 Å²	82	69.5 Å²	69.5	31%	0.309	36%	0.361	S	S	.	.	S	Bend	trans	-73.7	-8.2	178.1	-59.7	-171.7	-60.4	-93.4	-12.4	113.8	C296 D297 T307 C326 C327 K367	C296-R329 PolarHBondContact O-NH1 3.11Å; D297-R329 IonicContact OD1-NH1 3.56Å; D297-R329 PolarHBondContact OD1-NH1 3.34Å; T307-R329 PolarHBondContact OG1-NH2 2.96Å; C326-R329 WeakPolarHBondContact O-CB 3.03Å; C326-R329 WeakPolarHBondContact O-CG 2.99Å; C326-R329 PolarHBondContact O-N 3.42Å; C327-R329 VanDerWaalsContact C-N 3.27Å; C327-R329 PolarHBondContact O-N 3.49Å; R329-K367 PolarHBondContact NE-O 2.86Å
330	G	94.5	Very high	95.1	Very high	32 Å²	32	68.8 Å²	68.8	33%	0.33	36%	0.357	S	S	.	.			trans	77.1	-175.8	-170.7	0	0	0	0	0	112.9	C326 G328 K367	C326-G330 WeakPolarHBondContact CB-O 3.11Å; G328-G330 PolarHBondContact O-N 2.03Å; G330-K367 PolarHBondContact O-N 2.95Å; G330-K367 VanDerWaalsContact O-N 3.17Å
331	H	96.6	Very high	95.3	Very high	50 Å²	50	72 Å²	72	23%	0.231	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	155.1	-177.8	61.1	86.9	0	0	0	111.3	L314 C322 H364 T365 K367	L314-H331 VanDerWaalsContact CD1-NE2 3.33Å; L314-H331 WeakPolarHBondContact CD1-NE2 3.41Å; C322-H331 HydrophobicContact CB-CB 4.47Å; H331-H364 AromaticContact CE1-ND1 3.9Å; H331-H364 AromaticContact ND1-ND1 3.78Å; H331-T365 CarbonylContact C-O 3.46Å; H331-T365 VanDerWaalsContact CA-O 3.29Å; H331-T365 WeakPolarHBondContact CA-O 3.27Å; H331-T365 WeakPolarHBondContact CB-O 3.42Å; H331-K367 WeakPolarHBondContact O-CE 3.4Å
332	N	96.3	Very high	95.3	Very high	77 Å²	77	72.7 Å²	72.7	41%	0.412	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	153.1	165.1	-63.9	-36.7	0	0	0	108.9	H364 T365 K367	N332-H364 CarbonylContact O-C 3.57Å; N332-H364 VanDerWaalsContact O-CA 3.25Å; N332-H364 WeakPolarHBondContact O-CA 3Å; N332-T365 PolarHBondContact N-O 2.84Å; N332-T365 PolarHBondContact O-N 2.89Å; N332-K367 WeakPolarHBondContact OD1-CE 3.38Å
333	T	95.8	Very high	95.3	Very high	81 Å²	81	78.8 Å²	78.8	50%	0.497	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	129.4	174.8	-59.1	0	0	0	0	108.4	D362 H364	T333-D362 HydrophobicContact CG2-CB 4.24Å; T333-H364 WeakPolarHBondContact CG2-ND1 3.44Å; T333-H364 PolarHBondContact OG1-ND1 3.32Å
334	R	94.3	Very high	95.4	Very high	125 Å²	125	76.4 Å²	76.4	47%	0.472	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	139.6	172.5	70.9	179.3	-170.4	-128.2	2.7	109.9	E336 V363	R334-E336 IonicContact CZ-OE2 3.82Å; R334-E336 IonicContact NE-OE2 3.51Å; R334-E336 IonicContact NH2-OE2 2.75Å; R334-E336 PolarHBondContact NH2-OE2 2.98Å; R334-V363 HydrophobicContact CG-CB 4.02Å; R334-V363 PolarHBondContact N-O 2.97Å; R334-V363 PolarHBondContact O-N 2.84Å
335	T	95.2	Very high	95.5	Very high	93 Å²	93	77.7 Å²	77.7	57%	0.571	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.1	123.6	174.6	-53.6	0	0	0	0	109.3	V360 Y361 D362	T335-V360 HydrophobicContact CG2-CG1 3.13Å; T335-Y361 CarbonylContact C-O 3.53Å; T335-Y361 WeakPolarHBondContact CA-O 3.03Å; T335-D362 WeakPolarHBondContact CB-OD1 3.05Å; T335-D362 PolarHBondContact OG1-OD1 2.04Å
336	E	94.4	Very high	95.6	Very high	52 Å²	52	84 Å²	84	24%	0.243	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	128.8	-177	-162.8	178.1	128.9	0	0	109.9	R334 R338 Y361 V363	R334-E336 IonicContact CZ-OE2 3.82Å; R334-E336 IonicContact NE-OE2 3.51Å; R334-E336 IonicContact NH2-OE2 2.75Å; R334-E336 PolarHBondContact NH2-OE2 2.98Å; E336-R338 HydrophobicContact CG-CG 4.5Å; E336-R338 IonicContact OE1-CZ 3.98Å; E336-R338 VanDerWaalsContact OE1-CZ 3.27Å; E336-R338 IonicContact OE1-NE 3.73Å; E336-R338 PolarHBondContact OE1-NE 3.42Å; E336-R338 IonicContact OE1-NH2 3.51Å; E336-R338 PolarHBondContact OE1-NH2 3.19Å; E336-R338 IonicContact OE2-NH2 3.53Å; E336-Y361 PolarHBondContact N-O 3.43Å; E336-Y361 PolarHBondContact O-N 2.92Å; E336-V363 HydrophobicContact CB-CG2 4.07Å
337	K	95.4	Very high	95.5	Very high	159 Å²	159	87.3 Å²	87.3	69%	0.691	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.2	120.4	175.5	-64.7	-171.7	178.7	177.1	0	109.1	V358 R359 V360	K337-V358 HydrophobicContact CB-CG1 3.84Å; K337-V358 HydrophobicContact CD-CG1 4.17Å; K337-V358 HydrophobicContact CG-CG1 4.29Å; K337-R359 CarbonylContact C-O 3.55Å; K337-R359 WeakPolarHBondContact CA-O 3.39Å; K337-V360 HydrophobicContact CG-CG2 4.19Å
338	R	95.1	Very high	95.3	Very high	113 Å²	113	96.4 Å²	96.4	43%	0.426	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	134.4	176.9	-63.7	-177.3	177.2	168.5	3.1	110	E336 R359 Y361	E336-R338 HydrophobicContact CG-CG 4.5Å; E336-R338 IonicContact OE1-CZ 3.98Å; E336-R338 VanDerWaalsContact OE1-CZ 3.27Å; E336-R338 IonicContact OE1-NE 3.73Å; E336-R338 PolarHBondContact OE1-NE 3.42Å; E336-R338 IonicContact OE1-NH2 3.51Å; E336-R338 PolarHBondContact OE1-NH2 3.19Å; E336-R338 IonicContact OE2-NH2 3.53Å; R338-R359 PolarHBondContact N-O 3.08Å; R338-R359 PolarHBondContact O-N 3.36Å; R338-Y361 HydrophobicContact CB-CD2 4.24Å; R338-Y361 HydrophobicContact CB-CE2 4.03Å; R338-Y361 HydrophobicContact CG-CD2 4.23Å; R338-Y361 HydrophobicContact CG-CE2 4.45Å
339	K	96.1	Very high	95	Very high	159 Å²	159	97.5 Å²	97.5	69%	0.691	47%	0.466	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82	125.5	169.6	-71.9	-174.4	177.8	-170.4	0	108.4	C357 V358	K339-C357 WeakPolarHBondContact CA-O 3.08Å; K339-V358 HydrophobicContact CG-CG2 4.15Å
340	E	95.7	Very high	94.7	Very high	58 Å²	58	98.9 Å²	98.9	27%	0.271	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	157	174.8	58.6	173.1	-152	0	0	110.7	C342 C357 R359 Y361	E340-C342 PolarHBondContact O-N 2.78Å; E340-C357 PolarHBondContact N-O 2.83Å; E340-C357 PolarHBondContact O-N 3.18Å; E340-R359 HydrophobicContact CG-CB 4.5Å; E340-R359 HydrophobicContact CG-CG 4.19Å; E340-R359 WeakPolarHBondContact OE1-CD 3.26Å; E340-R359 VanDerWaalsContact OE1-CG 3.27Å; E340-R359 WeakPolarHBondContact OE1-CG 3.37Å; E340-R359 IonicContact OE1-CZ 3.39Å; E340-R359 IonicContact OE1-NE 3.98Å; E340-R359 PolarHBondContact OE1-NE 3.14Å; E340-R359 VanDerWaalsContact OE1-NE 3.1Å; E340-R359 IonicContact OE1-NH1 3.61Å; E340-R359 PolarHBondContact OE1-NH1 3.35Å; E340-Y361 PolarHBondContact OE2-OH 3.48Å; E340-Y361 VanDerWaalsContact OE2-OH 3.05Å
341	K	96.1	Very high	94.7	Very high	123 Å²	123	104 Å²	104	54%	0.535	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	126.2	173.1	-62.8	-55.1	-171.6	-175.9	0	108.4	C354 Q355 E356	K341-C354 HydrophobicContact CB-CB 3.82Å; K341-C354 HydrophobicContact CD-CB 4.1Å; K341-C354 HydrophobicContact CG-CB 4.26Å; K341-Q355 WeakPolarHBondContact CA-O 3.27Å; K341-E356 HydrophobicContact CD-CG 4.28Å; K341-E356 IonicContact NZ-OE1 3.25Å; K341-E356 PolarHBondContact NZ-OE1 2.98Å
342	C	95.9	Very high	94.7	Very high	15 Å²	15	105.7 Å²	105.7	10%	0.101	51%	0.511	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	166.4	-178.3	63.7	0	0	0	0	109.8	E340 C344 Q355 C357	E340-C342 PolarHBondContact O-N 2.78Å; C342-C344 PolarHBondContact O-N 3.22Å; C342-C344 VanDerWaalsContact O-N 3.15Å; C342-Q355 PolarHBondContact N-O 3.43Å; C342-Q355 PolarHBondContact O-N 2.89Å; C342-Q355 PolarHBondContact SG-O 3.39Å; C342-C357 HydrophobicContact CB-CB 3.54Å; C342-C357 WeakPolarHBondContact CB-SG 3.36Å; C342-C357 WeakPolarHBondContact SG-CB 3.06Å; C342-C357 PolarHBondContact SG-N 2.91Å; C342-C357 CovalentContact SG-SG 2Å; C342-C357 PolarHBondContact SG-SG 3.28Å
343	H	96.1	Very high	94.7	Very high	133 Å²	133	104.9 Å²	104.9	62%	0.616	51%	0.511	S	S	*	.	E	Extended strand (participates in β ladder)	trans	47.9	46.1	177.5	-52.4	104.6	0	0	0	112.2	I345	H343-I345 PolarHBondContact O-N 2.77Å
344	C	96.6	Very high	94.8	Very high	69 Å²	69	103 Å²	103	47%	0.466	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	119.9	-178.7	-66.8	0	0	0	0	110.2	C342 V352 S353 C354	C342-C344 PolarHBondContact O-N 3.22Å; C342-C344 VanDerWaalsContact O-N 3.15Å; C344-V352 HydrophobicContact CB-CG1 3.87Å; C344-S353 CarbonylContact C-O 3.6Å; C344-S353 WeakPolarHBondContact CA-O 3.19Å; C344-C354 HydrophobicContact CB-CB 4.12Å; C344-C354 WeakPolarHBondContact CB-SG 3.21Å; C344-C354 WeakPolarHBondContact SG-CB 3.22Å; C344-C354 CovalentContact SG-SG 2.04Å; C344-C354 PolarHBondContact SG-SG 2.75Å
345	I	96.3	Very high	94.9	Very high	103 Å²	103	103 Å²	103	53%	0.528	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	125.7	176.9	-57.9	175.3	0	0	0	108	H343 S353	H343-I345 PolarHBondContact O-N 2.77Å; I345-S353 PolarHBondContact N-O 2.87Å; I345-S353 PolarHBondContact O-N 2.85Å
346	F	96.5	Very high	95	Very high	133 Å²	133	104.4 Å²	104.4	58%	0.583	51%	0.506	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.1	123	170.8	177.3	-104.6	0	0	0	109.5	W348 V352	F346-W348 HydrophobicContact CE1-CB 4.22Å; F346-V352 HydrophobicContact CD2-CG2 4Å
347	H	94.7	Very high	95.1	Very high	71 Å²	71	103.3 Å²	103.3	33%	0.329	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	116.4	171	-65.8	-88.2	0	0	0	108.1	C349 Y351	H347-C349 PolarHBondContact O-N 2.67Å; H347-Y351 HydrophobicContact CB-CD1 4.39Å; H347-Y351 HydrophobicContact CB-CE1 4.02Å; H347-Y351 HydrophobicContact CB-CE2 4.24Å; H347-Y351 AromaticContact CD2-CE2 3.62Å; H347-Y351 AromaticContact CD2-CZ 3.98Å; H347-Y351 AromaticContact CG-CZ 3.91Å; H347-Y351 PolarHBondContact N-O 3.23Å
348	W	92.1	Very high	95.2	Very high	228 Å²	228	99.8 Å²	99.8	86%	0.864	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	117	179	-169.8	94.5	0	0	0	109.4	F346	F346-W348 HydrophobicContact CE1-CB 4.22Å
349	C	85.9	Confident	95.2	Very high	91 Å²	91	101 Å²	101	62%	0.615	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	81.1	-174.5	-156.1	0	0	0	0	116.8	H347	H347-C349 PolarHBondContact O-N 2.67Å
350	C	88.7	Confident	95.2	Very high	112 Å²	112	97.7 Å²	97.7	76%	0.757	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	cis	-153.1	48.4	1	-75.7	0	0	0	0	110.3
351	Y	94.4	Very high	95.1	Very high	138 Å²	138	98.7 Å²	98.7	54%	0.541	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	154.3	-177.2	69.1	-85.4	0	0	0	112.8	H347	H347-Y351 HydrophobicContact CB-CD1 4.39Å; H347-Y351 HydrophobicContact CB-CE1 4.02Å; H347-Y351 HydrophobicContact CB-CE2 4.24Å; H347-Y351 AromaticContact CD2-CE2 3.62Å; H347-Y351 AromaticContact CD2-CZ 3.98Å; H347-Y351 AromaticContact CG-CZ 3.91Å; H347-Y351 PolarHBondContact N-O 3.23Å
352	V	96.8	Very high	95	Very high	87 Å²	87	97.5 Å²	97.5	53%	0.527	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	124.6	172.5	-178.9	0	0	0	0	107.4	C344 F346	C344-V352 HydrophobicContact CB-CG1 3.87Å; F346-V352 HydrophobicContact CD2-CG2 4Å
353	S	96.4	Very high	94.9	Very high	59 Å²	59	97.3 Å²	97.3	41%	0.413	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	122.6	171.1	-173.6	0	0	0	0	108.7	C344 I345	C344-S353 CarbonylContact C-O 3.6Å; C344-S353 WeakPolarHBondContact CA-O 3.19Å; I345-S353 PolarHBondContact N-O 2.87Å; I345-S353 PolarHBondContact O-N 2.85Å
354	C	97.6	Very high	94.9	Very high	42 Å²	42	92.3 Å²	92.3	28%	0.284	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	144.1	177.5	-59.1	0	0	0	0	110.2	K341 C344	K341-C354 HydrophobicContact CB-CB 3.82Å; K341-C354 HydrophobicContact CD-CB 4.1Å; K341-C354 HydrophobicContact CG-CB 4.26Å; C344-C354 HydrophobicContact CB-CB 4.12Å; C344-C354 WeakPolarHBondContact CB-SG 3.21Å; C344-C354 WeakPolarHBondContact SG-CB 3.22Å; C344-C354 CovalentContact SG-SG 2.04Å; C344-C354 PolarHBondContact SG-SG 2.75Å
355	Q	97.4	Very high	94.9	Very high	126 Å²	126	89.6 Å²	89.6	59%	0.589	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.5	157.5	168	-64.4	178	-5.5	0	0	110.1	K341 C342	K341-Q355 WeakPolarHBondContact CA-O 3.27Å; C342-Q355 PolarHBondContact N-O 3.43Å; C342-Q355 PolarHBondContact O-N 2.89Å; C342-Q355 PolarHBondContact SG-O 3.39Å
356	E	97.1	Very high	94.9	Very high	121 Å²	121	84.7 Å²	84.7	57%	0.565	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	117	169.1	-62.5	-159.4	158.2	0	0	109.8	K341	K341-E356 HydrophobicContact CD-CG 4.28Å; K341-E356 IonicContact NZ-OE1 3.25Å; K341-E356 PolarHBondContact NZ-OE1 2.98Å
357	C	96.9	Very high	94.8	Very high	30 Å²	30	83.6 Å²	83.6	20%	0.203	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	147.8	171.2	-71.3	0	0	0	0	110.1	K339 E340 C342	K339-C357 WeakPolarHBondContact CA-O 3.08Å; E340-C357 PolarHBondContact N-O 2.83Å; E340-C357 PolarHBondContact O-N 3.18Å; C342-C357 HydrophobicContact CB-CB 3.54Å; C342-C357 WeakPolarHBondContact CB-SG 3.36Å; C342-C357 WeakPolarHBondContact SG-CB 3.06Å; C342-C357 PolarHBondContact SG-N 2.91Å; C342-C357 CovalentContact SG-SG 2Å; C342-C357 PolarHBondContact SG-SG 3.28Å
358	V	96.6	Very high	94.8	Very high	85 Å²	85	84.3 Å²	84.3	52%	0.515	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	112.8	166.5	-179.3	0	0	0	0	107.5	K337 K339	K337-V358 HydrophobicContact CB-CG1 3.84Å; K337-V358 HydrophobicContact CD-CG1 4.17Å; K337-V358 HydrophobicContact CG-CG1 4.29Å; K339-V358 HydrophobicContact CG-CG2 4.15Å
359	R	95.5	Very high	95	Very high	139 Å²	139	76.7 Å²	76.7	53%	0.525	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	143.6	169.6	-74.7	-149.6	174.9	142.7	-13.1	110.6	K337 R338 E340 Y361	K337-R359 CarbonylContact C-O 3.55Å; K337-R359 WeakPolarHBondContact CA-O 3.39Å; R338-R359 PolarHBondContact N-O 3.08Å; R338-R359 PolarHBondContact O-N 3.36Å; E340-R359 HydrophobicContact CG-CB 4.5Å; E340-R359 HydrophobicContact CG-CG 4.19Å; E340-R359 WeakPolarHBondContact OE1-CD 3.26Å; E340-R359 VanDerWaalsContact OE1-CG 3.27Å; E340-R359 WeakPolarHBondContact OE1-CG 3.37Å; E340-R359 IonicContact OE1-CZ 3.39Å; E340-R359 IonicContact OE1-NE 3.98Å; E340-R359 PolarHBondContact OE1-NE 3.14Å; E340-R359 VanDerWaalsContact OE1-NE 3.1Å; E340-R359 IonicContact OE1-NH1 3.61Å; E340-R359 PolarHBondContact OE1-NH1 3.35Å; R359-Y361 HydrophobicContact CB-CD2 4.37Å; R359-Y361 HydrophobicContact CB-CE2 3.48Å; R359-Y361 VanDerWaalsContact CB-CE2 3.48Å; R359-Y361 WeakPolarHBondContact CD-OH 3.23Å
360	V	94.8	Very high	95.5	Very high	88 Å²	88	75.9 Å²	75.9	53%	0.533	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	125.9	-178.7	-171.4	0	0	0	0	107.6	T335 K337	T335-V360 HydrophobicContact CG2-CG1 3.13Å; K337-V360 HydrophobicContact CG-CG2 4.19Å
361	Y	93.6	Very high	95.9	Very high	80 Å²	80	73.8 Å²	73.8	31%	0.314	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	140.3	179.4	-59.9	-88.5	0	0	0	109.7	T335 E336 R338 E340 R359	T335-Y361 CarbonylContact C-O 3.53Å; T335-Y361 WeakPolarHBondContact CA-O 3.03Å; E336-Y361 PolarHBondContact N-O 3.43Å; E336-Y361 PolarHBondContact O-N 2.92Å; R338-Y361 HydrophobicContact CB-CD2 4.24Å; R338-Y361 HydrophobicContact CB-CE2 4.03Å; R338-Y361 HydrophobicContact CG-CD2 4.23Å; R338-Y361 HydrophobicContact CG-CE2 4.45Å; E340-Y361 PolarHBondContact OE2-OH 3.48Å; E340-Y361 VanDerWaalsContact OE2-OH 3.05Å; R359-Y361 HydrophobicContact CB-CD2 4.37Å; R359-Y361 HydrophobicContact CB-CE2 3.48Å; R359-Y361 VanDerWaalsContact CB-CE2 3.48Å; R359-Y361 WeakPolarHBondContact CD-OH 3.23Å
362	D	94	Very high	96	Very high	97 Å²	97	69.8 Å²	69.8	52%	0.519	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	122.7	166.7	-65.8	-39.5	0	0	0	109.2	T333 T335	T333-D362 HydrophobicContact CG2-CB 4.24Å; T335-D362 WeakPolarHBondContact CB-OD1 3.05Å; T335-D362 PolarHBondContact OG1-OD1 2.04Å
363	V	95.3	Very high	95.9	Very high	11 Å²	11	68.6 Å²	68.6	7%	0.067	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	121.3	179.1	-178.4	0	0	0	0	108	I311 R334 E336 T365	I311-V363 HydrophobicContact CD1-CG1 4.42Å; I311-V363 HydrophobicContact CG1-CG1 4.19Å; I311-V363 HydrophobicContact CG2-CG1 4.33Å; R334-V363 HydrophobicContact CG-CB 4.02Å; R334-V363 PolarHBondContact N-O 2.97Å; R334-V363 PolarHBondContact O-N 2.84Å; E336-V363 HydrophobicContact CB-CG2 4.07Å; V363-T365 HydrophobicContact CG1-CG2 4.28Å
364	H	96.1	Very high	95.9	Very high	29 Å²	29	69.3 Å²	69.3	13%	0.134	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	130.4	178	-50.7	-70.1	0	0	0	110.1	I311 C312 H331 N332 T333	I311-H364 VanDerWaalsContact CA-O 3.29Å; I311-H364 WeakPolarHBondContact CA-O 3.29Å; C312-H364 PolarHBondContact N-O 3.09Å; H331-H364 AromaticContact CE1-ND1 3.9Å; H331-H364 AromaticContact ND1-ND1 3.78Å; N332-H364 CarbonylContact O-C 3.57Å; N332-H364 VanDerWaalsContact O-CA 3.25Å; N332-H364 WeakPolarHBondContact O-CA 3Å; T333-H364 WeakPolarHBondContact CG2-ND1 3.44Å; T333-H364 PolarHBondContact OG1-ND1 3.32Å
365	T	96.3	Very high	95.7	Very high	11 Å²	11	71.4 Å²	71.4	7%	0.067	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	135	-180	56.6	0	0	0	0	111.4	R310 I311 H331 N332 V363	R310-T365 CarbonylContact O-C 3.24Å; R310-T365 VanDerWaalsContact O-CA 3.23Å; R310-T365 WeakPolarHBondContact O-CA 3.35Å; I311-T365 HydrophobicContact CG1-CG2 4.23Å; H331-T365 CarbonylContact C-O 3.46Å; H331-T365 VanDerWaalsContact CA-O 3.29Å; H331-T365 WeakPolarHBondContact CA-O 3.27Å; H331-T365 WeakPolarHBondContact CB-O 3.42Å; N332-T365 PolarHBondContact N-O 2.84Å; N332-T365 PolarHBondContact O-N 2.89Å; V363-T365 HydrophobicContact CG1-CG2 4.28Å
366	C	96	Very high	95.6	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	144.2	179.7	-62.7	0	0	0	0	113.3	T307 D309 R310 C326	T307-C366 WeakPolarHBondContact O-CB 3.36Å; D309-C366 PolarHBondContact N-O 2.88Å; R310-C366 PolarHBondContact O-N 2.99Å; C326-C366 WeakPolarHBondContact CA-SG 3.4Å; C326-C366 HydrophobicContact CB-CB 3.54Å; C326-C366 WeakPolarHBondContact CB-SG 3.37Å; C326-C366 WeakPolarHBondContact SG-CA 3.36Å; C326-C366 WeakPolarHBondContact SG-CB 3.35Å; C326-C366 CovalentContact SG-SG 2.03Å; C326-C366 PolarHBondContact SG-SG 3.29Å
367	K	94.8	Very high	95.4	Very high	111 Å²	111	61.9 Å²	61.9	48%	0.483	31%	0.305	S	S	.	.			trans	-77.5	0	175.9	-69.7	179.9	179.7	175.6	0	113.7	R308 R329 G330 H331 N332	R308-K367 VanDerWaalsContact CD-OXT 3.26Å; R308-K367 WeakPolarHBondContact CD-OXT 3.34Å; R308-K367 WeakPolarHBondContact CG-OXT 3.47Å; R308-K367 PolarHBondContact NE-OXT 3.24Å; R329-K367 PolarHBondContact NE-O 2.86Å; G330-K367 PolarHBondContact O-N 2.95Å; G330-K367 VanDerWaalsContact O-N 3.17Å; H331-K367 WeakPolarHBondContact O-CE 3.4Å; N332-K367 WeakPolarHBondContact OD1-CE 3.38Å

Retrieved 367 of 367 residues in 345.2 ms (Link to these results)

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