A0A087X8B7_POEFO Loading...

protein-serine/threonine phosphatase

AlphaFold DB , UniProt , Accession A0A087X8B7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 632 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.9	Very low	26.3	Very low	234 Å²	234	158.9 Å²	158.9	100%	1.153	85%	0.85	S	S	*	*				0	107	0	-57.6	-172	-78.3	0	0	105
2	A	23.8	Very low	26.5	Very low	92 Å²	92	158.8 Å²	158.8	76%	0.76	85%	0.847	S	S	*	*			cis	65.8	128.8	46.9	0	0	0	0	0	110.8
3	L	23	Very low	26.6	Very low	172 Å²	172	155.1 Å²	155.1	90%	0.901	84%	0.841	S	S	*	*			cis	-130.2	164.6	25.5	-82.2	157.5	0	0	0	115.6
4	L	24.2	Very low	26.6	Very low	162 Å²	162	153.1 Å²	153.1	85%	0.848	84%	0.837	S	S	*	*			trans	-104.1	142.1	163.1	-86.7	154	0	0	0	109.5
5	T	23.7	Very low	27.5	Very low	131 Å²	131	150.7 Å²	150.7	80%	0.804	84%	0.835	S	S	*	*			trans	172.8	155.3	153.6	35	0	0	0	0	110.8
6	L	21.1	Very low	27.8	Very low	153 Å²	153	148.6 Å²	148.6	80%	0.801	83%	0.831	S	S	*	*			cis	-162.7	174.3	-34.5	-124.3	174.7	0	0	0	109
7	H	24.1	Very low	28.1	Very low	171 Å²	171	145.4 Å²	145.4	79%	0.792	81%	0.812	S	S	*	*			trans	-66.1	155.4	-178.4	-64.9	-11.9	0	0	0	115.7
8	R	23.6	Very low	28.3	Very low	244 Å²	244	146.4 Å²	146.4	92%	0.921	81%	0.809	S	S	*	*				-168.4	154	111.8	-108.6	177.9	-176.5	-177.3	1.4	116.4
9	I	25.6	Very low	28.6	Very low	156 Å²	156	141.7 Å²	141.7	80%	0.8	79%	0.787	S	S	*	*			trans	-135.8	155.5	167.4	-66.1	171.3	0	0	0	104.5
10	P	42.5	Very low	28.8	Very low	108 Å²	108	141.5 Å²	141.5	70%	0.701	78%	0.778	S	S	*	*			cis	-119.6	-178.8	-14.4	36.3	-21.4	0	0	0	113.5
11	S	23.7	Very low	28.9	Very low	125 Å²	125	142.9 Å²	142.9	87%	0.874	78%	0.779	S	S	*	*			trans	-138.7	155.2	142.2	53.7	0	0	0	0	109.8
12	I	28.7	Very low	28.9	Very low	157 Å²	157	140.5 Å²	140.5	81%	0.805	76%	0.757	S	S	*	*			trans	-110.4	156	-160.7	-64.9	168	0	0	0	111.6
13	S	27.7	Very low	29.8	Very low	111 Å²	111	143.7 Å²	143.7	78%	0.776	75%	0.75	S	S	*	*			trans	77.3	129.6	175.2	-155	0	0	0	0	113.5
14	T	26.6	Very low	30.2	Very low	128 Å²	128	138.3 Å²	138.3	79%	0.785	74%	0.735	S	S	*	*			cis	-124.1	166	29.7	43.8	0	0	0	0	114.7
15	S	40.6	Very low	30.6	Very low	116 Å²	116	140.5 Å²	140.5	81%	0.811	73%	0.732	S	S	*	*			trans	-90.3	129	179.2	53.1	0	0	0	0	113.6
16	P	32.2	Very low	31.1	Very low	117 Å²	117	140.2 Å²	140.2	76%	0.76	73%	0.725	S	S	*	*			trans	-112.1	105.4	157.1	32.6	-19.4	0	0	0	111.3
17	D	32.5	Very low	32.1	Very low	95 Å²	95	137.9 Å²	137.9	51%	0.508	71%	0.71	S	S	.	*			trans	50.5	101.1	139.9	-158.3	-11.1	0	0	0	119.7	S19	D17-S19 PolarHBondContact O-N 3.4Å; D17-S19 WeakPolarHBondContact OD1-CB 3.49Å; D17-S19 PolarHBondContact OD1-N 2.95Å; D17-S19 PolarHBondContact OD1-OG 3.41Å; D17-S19 PolarHBondContact OD2-OG 3.39Å; D17-S19 VanDerWaalsContact OD2-OG 3.09Å
18	E	31.4	Very low	32.8	Very low	164 Å²	164	138.6 Å²	138.6	77%	0.766	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	-13.8	173.4	-66.6	-164.3	138.4	0	0	114.4	F20 Q21 R22	E18-F20 VanDerWaalsContact C-N 3.28Å; E18-F20 PolarHBondContact O-N 3.1Å; E18-Q21 PolarHBondContact O-N 3.03Å; E18-R22 PolarHBondContact O-N 3.09Å
19	S	34.2	Very low	33.6	Very low	56 Å²	56	133.3 Å²	133.3	39%	0.392	69%	0.691	S	S	.	*	H	α-helix	trans	-61.2	-36	-178.3	70.2	0	0	0	0	112.7	D17 Q21 R22 R23	D17-S19 PolarHBondContact O-N 3.4Å; D17-S19 WeakPolarHBondContact OD1-CB 3.49Å; D17-S19 PolarHBondContact OD1-N 2.95Å; D17-S19 PolarHBondContact OD1-OG 3.41Å; D17-S19 PolarHBondContact OD2-OG 3.39Å; D17-S19 VanDerWaalsContact OD2-OG 3.09Å; S19-Q21 PolarHBondContact O-N 3.31Å; S19-R22 PolarHBondContact O-N 3.27Å; S19-R23 PolarHBondContact O-N 3Å
20	F	32.4	Very low	34.5	Very low	138 Å²	138	128.9 Å²	128.9	61%	0.605	67%	0.667	S	S	*	*	H	α-helix	trans	-68	-31.8	179.6	-84.9	-90.8	0	0	0	113.3	E18	E18-F20 VanDerWaalsContact C-N 3.28Å; E18-F20 PolarHBondContact O-N 3.1Å
21	Q	31.4	Very low	34.7	Very low	170 Å²	170	126.1 Å²	126.1	79%	0.794	65%	0.65	S	S	*	*	H	α-helix	trans	-78.5	-20.2	177.5	-68.7	-165.3	2.5	0	0	113.4	E18 S19	E18-Q21 PolarHBondContact O-N 3.03Å; S19-Q21 PolarHBondContact O-N 3.31Å
22	R	34.8	Very low	35.8	Very low	184 Å²	184	122.6 Å²	122.6	69%	0.694	62%	0.619	S	S	*	*	H	α-helix	trans	-74.8	-41.3	171.1	-73.9	-167.7	177.5	-144.3	1.8	112.6	E18 S19 G24 R25 L26	E18-R22 PolarHBondContact O-N 3.09Å; S19-R22 PolarHBondContact O-N 3.27Å; R22-G24 PolarHBondContact O-N 3.39Å; R22-R25 PolarHBondContact O-N 3.16Å; R22-R25 VanDerWaalsContact O-N 3.09Å; R22-L26 PolarHBondContact O-N 3.22Å
23	R	42.6	Very low	36.6	Very low	160 Å²	160	116.8 Å²	116.8	60%	0.604	60%	0.595	S	S	*	*	H	α-helix	trans	-49.6	-55.3	-179.5	-80.1	-178.2	161.8	-177.4	-8.6	112.2	S19 R25	S19-R23 PolarHBondContact O-N 3Å; R23-R25 PolarHBondContact O-N 3.48Å; R23-R25 VanDerWaalsContact O-N 3.1Å
24	G	30.5	Very low	37.7	Very low	58 Å²	58	114.3 Å²	114.3	60%	0.598	57%	0.572	S	S	*	*	H	α-helix	trans	-73.9	5.9	-177.7	0	0	0	0	0	116.7	R22	R22-G24 PolarHBondContact O-N 3.39Å
25	R	32.3	Very low	38.9	Very low	209 Å²	209	108.7 Å²	108.7	79%	0.789	54%	0.538	S	S	*	.	H	α-helix	trans	-119.1	-20.2	-174.8	-153.3	176.7	-172.9	-165.1	1.3	115.1	R22 R23	R22-R25 PolarHBondContact O-N 3.16Å; R22-R25 VanDerWaalsContact O-N 3.09Å; R23-R25 PolarHBondContact O-N 3.48Å; R23-R25 VanDerWaalsContact O-N 3.1Å
26	L	34.5	Very low	39.9	Very low	124 Å²	124	108.5 Å²	108.5	65%	0.649	52%	0.522	S	S	*	.	H	α-helix	trans	-85.7	-48.9	176.2	-78	160.4	0	0	0	111.9	R22 K28 R29	R22-L26 PolarHBondContact O-N 3.22Å; L26-K28 PolarHBondContact O-N 3.32Å; L26-R29 PolarHBondContact O-N 3.49Å
27	Q	42.5	Very low	41.1	Very low	105 Å²	105	103 Å²	103	49%	0.491	49%	0.488	S	S	.	.	G	3₁₀ helix	trans	-60.8	-8.9	177.9	-69.4	175.4	-38.3	0	0	114.7	R29	Q27-R29 VanDerWaalsContact C-N 3.28Å; Q27-R29 PolarHBondContact O-N 3.37Å
28	K	38.9	Very low	42.4	Very low	185 Å²	185	98.7 Å²	98.7	80%	0.804	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-90.9	17.4	-177.8	-145.1	177.6	-175	177.1	0	114.1	L26	L26-K28 PolarHBondContact O-N 3.32Å
29	R	40.5	Very low	43.9	Very low	134 Å²	134	91.3 Å²	91.3	51%	0.506	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-122.2	-0.4	173.4	-81.4	179.7	150.5	-176.1	-17.3	113.2	L26 Q27 D44 D46	L26-R29 PolarHBondContact O-N 3.49Å; Q27-R29 VanDerWaalsContact C-N 3.28Å; Q27-R29 PolarHBondContact O-N 3.37Å; R29-D44 VanDerWaalsContact O-CB 3.29Å; R29-D44 WeakPolarHBondContact O-CB 3.41Å; R29-D46 IonicContact CZ-OD1 3.26Å; R29-D46 IonicContact NH1-OD1 2.95Å; R29-D46 PolarHBondContact NH1-OD1 2.88Å
30	E	44.6	Very low	44.7	Very low	62 Å²	62	90.2 Å²	90.2	29%	0.29	42%	0.42	S	S	.	.			trans	-90.6	111.1	-179.6	-74.4	-179.1	168.8	0	0	109.5	F32 L41	E30-F32 HydrophobicContact CB-CE2 3.93Å; E30-F32 HydrophobicContact CB-CZ 4.27Å; E30-F32 WeakPolarHBondContact O-CD2 3.43Å; E30-L41 HydrophobicContact CB-CD1 3.59Å; E30-L41 HydrophobicContact CG-CD1 3.85Å
31	S	45.3	Very low	45.4	Very low	50 Å²	50	84.3 Å²	84.3	35%	0.35	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	142.7	177	-63.9	0	0	0	0	109.6	L42	S31-L42 VanDerWaalsContact O-CB 3.32Å; S31-L42 WeakPolarHBondContact O-CB 3.37Å; S31-L42 PolarHBondContact O-N 3Å
32	F	48.7	Very low	46.2	Very low	51 Å²	51	78.3 Å²	78.3	22%	0.224	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	132	-177.6	-68	-89	0	0	0	111.7	E30 L34 V39 L40 L41 L77 L81	E30-F32 HydrophobicContact CB-CE2 3.93Å; E30-F32 HydrophobicContact CB-CZ 4.27Å; E30-F32 WeakPolarHBondContact O-CD2 3.43Å; F32-L34 HydrophobicContact CB-CD1 4.3Å; F32-V39 HydrophobicContact CB-CG1 3.91Å; F32-V39 HydrophobicContact CD1-CG1 3.84Å; F32-V39 HydrophobicContact CG-CG1 4.2Å; F32-L40 CarbonylContact C-O 3.23Å; F32-L40 VanDerWaalsContact CA-O 3.3Å; F32-L40 WeakPolarHBondContact CA-O 3.49Å; F32-L41 HydrophobicContact CD1-CB 4.16Å; F32-L41 HydrophobicContact CD1-CD1 4.19Å; F32-L41 HydrophobicContact CE1-CB 3.87Å; F32-L41 HydrophobicContact CE1-CD1 3.66Å; F32-L41 HydrophobicContact CE1-CG 4.34Å; F32-L41 HydrophobicContact CE2-CD1 4.21Å; F32-L41 HydrophobicContact CZ-CD1 3.67Å; F32-L77 HydrophobicContact CD1-CD1 4.43Å; F32-L77 HydrophobicContact CD1-CD2 3.93Å; F32-L77 HydrophobicContact CD2-CD2 3.91Å; F32-L77 HydrophobicContact CE1-CD1 4.09Å; F32-L77 HydrophobicContact CE1-CD2 3.99Å; F32-L77 HydrophobicContact CE2-CD2 4Å; F32-L77 HydrophobicContact CG-CD2 3.87Å; F32-L77 HydrophobicContact CZ-CD2 4.03Å; F32-L81 HydrophobicContact CZ-CD1 4.34Å
33	A	45.4	Very low	46.4	Very low	35 Å²	35	73.6 Å²	73.6	29%	0.289	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	121.6	170.6	0	0	0	0	0	109.8	V39 L40	A33-V39 WeakPolarHBondContact O-CA 3.33Å; A33-L40 HydrophobicContact CB-CB 4.41Å; A33-L40 PolarHBondContact N-O 3.17Å; A33-L40 PolarHBondContact O-N 3.24Å
34	L	50	Low	46.1	Very low	59 Å²	59	70.6 Å²	70.6	31%	0.309	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	123.7	177.5	-80.1	80.9	0	0	0	111.4	F32 V39 Q73	F32-L34 HydrophobicContact CB-CD1 4.3Å; L34-V39 HydrophobicContact CD1-CG1 4.2Å; L34-V39 HydrophobicContact CG-CG1 4.28Å; L34-V39 HydrophobicContact CG-CG2 4.26Å; L34-Q73 HydrophobicContact CD2-CB 4.16Å
35	V	51.9	Low	46.2	Very low	11 Å²	11	74.3 Å²	74.3	7%	0.067	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	158.3	166.7	173.8	0	0	0	0	107.3	G37 A38 Q173 D262	V35-G37 PolarHBondContact O-N 3.08Å; V35-A38 HydrophobicContact CB-CB 4.17Å; V35-A38 PolarHBondContact N-O 3.01Å; V35-A38 PolarHBondContact O-N 3.09Å; V35-Q173 HydrophobicContact CG1-CB 4.43Å; V35-Q173 HydrophobicContact CG1-CG 3.74Å; V35-D262 WeakPolarHBondContact CG1-OD1 3.31Å
36	K	61.7	Low	46.1	Very low	111 Å²	111	68.7 Å²	68.7	48%	0.483	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	105.1	-178	-168.7	-171.4	170.9	-155.3	0	111	T174 D262 N263	K36-T174 VanDerWaalsContact O-CG2 3.28Å; K36-T174 WeakPolarHBondContact O-CG2 3.43Å; K36-D262 HydrophobicContact CB-CB 3.97Å; K36-N263 PolarHBondContact NZ-OD1 2.92Å
37	G	57.8	Low	45.9	Very low	3 Å²	3	66.3 Å²	66.3	3%	0.031	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.2	11.9	-176.8	0	0	0	0	0	114.2	V35 V94 E95 T174	V35-G37 PolarHBondContact O-N 3.08Å; G37-V94 CarbonylContact O-C 3.59Å; G37-V94 WeakPolarHBondContact O-CA 3.23Å; G37-E95 PolarHBondContact O-N 3.07Å; G37-T174 VanDerWaalsContact O-CG2 3.25Å; G37-T174 WeakPolarHBondContact O-CG2 3.44Å
38	A	58.6	Low	45.4	Very low	3 Å²	3	73 Å²	73	3%	0.025	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	139.9	171.3	0	0	0	0	0	112	V35 L92 A93 V94 T174	V35-A38 HydrophobicContact CB-CB 4.17Å; V35-A38 PolarHBondContact N-O 3.01Å; V35-A38 PolarHBondContact O-N 3.09Å; A38-L92 HydrophobicContact CB-CD1 4.37Å; A38-A93 CarbonylContact C-O 3.45Å; A38-A93 VanDerWaalsContact CA-O 3.27Å; A38-A93 WeakPolarHBondContact CA-O 3.34Å; A38-V94 HydrophobicContact CB-CG1 4.02Å; A38-T174 HydrophobicContact CB-CG2 3.84Å
39	V	62.8	Low	44.9	Very low	9 Å²	9	67.6 Å²	67.6	6%	0.055	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	113.9	176.6	-167.8	0	0	0	0	108.7	F32 A33 L34 L77 L92 A93	F32-V39 HydrophobicContact CB-CG1 3.91Å; F32-V39 HydrophobicContact CD1-CG1 3.84Å; F32-V39 HydrophobicContact CG-CG1 4.2Å; A33-V39 WeakPolarHBondContact O-CA 3.33Å; L34-V39 HydrophobicContact CD1-CG1 4.2Å; L34-V39 HydrophobicContact CG-CG1 4.28Å; L34-V39 HydrophobicContact CG-CG2 4.26Å; V39-L77 HydrophobicContact CG1-CD1 4.18Å; V39-L77 HydrophobicContact CG1-CD2 4.1Å; V39-L92 CarbonylContact O-C 3.53Å; V39-L92 WeakPolarHBondContact O-CA 3.32Å; V39-A93 HydrophobicContact CB-CB 4.5Å; V39-A93 PolarHBondContact N-O 3.48Å; V39-A93 PolarHBondContact O-N 3.07Å
40	L	50.9	Low	44.4	Very low	33 Å²	33	69.1 Å²	69.1	17%	0.173	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	134.1	-179.8	-173.8	80.8	0	0	0	109.8	F32 A33 L42 K91 L92 V181 W315	F32-L40 CarbonylContact C-O 3.23Å; F32-L40 VanDerWaalsContact CA-O 3.3Å; F32-L40 WeakPolarHBondContact CA-O 3.49Å; A33-L40 HydrophobicContact CB-CB 4.41Å; A33-L40 PolarHBondContact N-O 3.17Å; A33-L40 PolarHBondContact O-N 3.24Å; L40-L42 HydrophobicContact CD2-CD2 4.35Å; L40-K91 WeakPolarHBondContact CD1-O 3.46Å; L40-L92 HydrophobicContact CB-CD1 4.1Å; L40-L92 HydrophobicContact CD1-CB 4.19Å; L40-L92 HydrophobicContact CD1-CD1 3.82Å; L40-V181 HydrophobicContact CD1-CG2 4.02Å; L40-W315 HydrophobicContact CD2-CH2 4.28Å; L40-W315 HydrophobicContact CD2-CZ3 4Å
41	L	47.2	Very low	43.8	Very low	14 Å²	14	75.4 Å²	75.4	7%	0.073	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	135.7	172	173.9	67.4	0	0	0	111.1	E30 F32 T89 I90 K91	E30-L41 HydrophobicContact CB-CD1 3.59Å; E30-L41 HydrophobicContact CG-CD1 3.85Å; F32-L41 HydrophobicContact CD1-CB 4.16Å; F32-L41 HydrophobicContact CD1-CD1 4.19Å; F32-L41 HydrophobicContact CE1-CB 3.87Å; F32-L41 HydrophobicContact CE1-CD1 3.66Å; F32-L41 HydrophobicContact CE1-CG 4.34Å; F32-L41 HydrophobicContact CE2-CD1 4.21Å; F32-L41 HydrophobicContact CZ-CD1 3.67Å; L41-T89 HydrophobicContact CD2-CG2 4.49Å; L41-I90 WeakPolarHBondContact CB-O 3.37Å; L41-I90 WeakPolarHBondContact CD2-O 3.41Å; L41-K91 PolarHBondContact N-O 3.35Å
42	L	48.8	Very low	43	Very low	45 Å²	45	81.9 Å²	81.9	24%	0.236	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	124.2	169.8	-47.9	175.8	0	0	0	107.9	S31 L40 D44 F341	S31-L42 VanDerWaalsContact O-CB 3.32Å; S31-L42 WeakPolarHBondContact O-CB 3.37Å; S31-L42 PolarHBondContact O-N 3Å; L40-L42 HydrophobicContact CD2-CD2 4.35Å; L42-D44 PolarHBondContact O-N 3.29Å; L42-F341 HydrophobicContact CD2-CE1 4.02Å
43	E	39.5	Very low	42	Very low	85 Å²	85	86.1 Å²	86.1	40%	0.397	45%	0.449	S	S	.	.			trans	-83.3	105.2	178.4	-66.4	-167.6	141.3	0	0	110.9	D45 K91 K116	E43-D45 PolarHBondContact O-N 3.26Å; E43-K91 IonicContact OE1-NZ 3.15Å; E43-K91 PolarHBondContact OE1-NZ 3.23Å; E43-K91 IonicContact OE2-NZ 2.76Å; E43-K91 PolarHBondContact OE2-NZ 3.24Å; E43-K116 IonicContact OE1-NZ 2.6Å; E43-K116 IonicContact OE2-NZ 3.18Å; E43-K116 PolarHBondContact OE2-NZ 3.27Å
44	D	35.8	Very low	41.2	Very low	96 Å²	96	90.5 Å²	90.5	51%	0.513	47%	0.473	S	S	.	.			trans	-74.3	104.2	162.9	-80	26.3	0	0	0	108.9	R29 L42	R29-D44 VanDerWaalsContact O-CB 3.29Å; R29-D44 WeakPolarHBondContact O-CB 3.41Å; L42-D44 PolarHBondContact O-N 3.29Å
45	D	33.6	Very low	40.1	Very low	137 Å²	137	93.5 Å²	93.5	73%	0.733	50%	0.499	S	S	*	.			trans	-78.4	147.9	-177.6	-137.1	-34	0	0	0	113.4	E43 A47	E43-D45 PolarHBondContact O-N 3.26Å; D45-A47 PolarHBondContact O-N 3.33Å
46	D	29.1	Very low	39	Very low	91 Å²	91	98 Å²	98	49%	0.487	53%	0.531	S	S	.	.			trans	-89.6	76.1	-149.2	-160.3	11.2	0	0	0	114.6	R29 R48	R29-D46 IonicContact CZ-OD1 3.26Å; R29-D46 IonicContact NH1-OD1 2.95Å; R29-D46 PolarHBondContact NH1-OD1 2.88Å; D46-R48 PolarHBondContact O-N 3Å; D46-R48 VanDerWaalsContact O-N 3.09Å
47	A	30.1	Very low	37.4	Very low	74 Å²	74	101.4 Å²	101.4	61%	0.612	55%	0.548	S	S	*	.			trans	-57.8	108.5	-178.7	0	0	0	0	0	113.8	D45 G49	D45-A47 PolarHBondContact O-N 3.33Å; A47-G49 PolarHBondContact O-N 3.13Å
48	R	31.4	Very low	36	Very low	246 Å²	246	108.9 Å²	108.9	93%	0.928	59%	0.588	S	S	*	*			trans	-78.6	78.8	-174.8	-67.5	-172.9	-178.2	173.9	3.4	114.6	D46	D46-R48 PolarHBondContact O-N 3Å; D46-R48 VanDerWaalsContact O-N 3.09Å
49	G	29.4	Very low	34.4	Very low	70 Å²	70	114.6 Å²	114.6	72%	0.722	62%	0.622	S	S	*	*			trans	74.5	103	136.1	0	0	0	0	0	119.1	A47	A47-G49 PolarHBondContact O-N 3.13Å
50	I	29.7	Very low	32.7	Very low	166 Å²	166	120.4 Å²	120.4	85%	0.851	66%	0.658	S	S	*	*			trans	-115.3	137.7	144.8	-64.8	-179.2	0	0	0	107.7
51	K	32.6	Very low	31.4	Very low	194 Å²	194	123.6 Å²	123.6	84%	0.843	68%	0.683	S	S	*	*			trans	-81.8	138.6	173	-63.1	177.4	-179.2	177.7	0	109.7
52	H	28.7	Very low	30.6	Very low	186 Å²	186	128.2 Å²	128.2	86%	0.861	71%	0.714	S	S	*	*			trans	-149.1	149.3	145.7	-122.9	-79.9	0	0	0	111.6
53	D	27.3	Very low	29.6	Very low	140 Å²	140	133.1 Å²	133.1	75%	0.749	75%	0.745	S	S	*	*			trans	-82.2	133.8	-165.8	-79.5	-72.5	0	0	0	115.2
54	T	27.6	Very low	29.2	Very low	127 Å²	127	138.1 Å²	138.1	78%	0.779	77%	0.766	S	S	*	*				31	99	129.5	-42.2	0	0	0	0	117.9
55	S	27.1	Very low	29.1	Very low	122 Å²	122	143.6 Å²	143.6	85%	0.853	79%	0.785	S	S	*	*			trans	-136.5	133.9	138.2	66	0	0	0	0	109.5
56	S	30.6	Very low	28.8	Very low	107 Å²	107	140.2 Å²	140.2	75%	0.748	78%	0.782	S	S	*	*			trans	-103.8	125.9	-169.7	54	0	0	0	0	111.6
57	Q	26.1	Very low	29.2	Very low	181 Å²	181	140.1 Å²	140.1	85%	0.846	79%	0.789	S	S	*	*			trans	-134.2	114	159.9	-71.5	-166.6	-10.6	0	0	110	V59	Q57-V59 PolarHBondContact O-N 3.43Å
58	D	28.8	Very low	29.8	Very low	161 Å²	161	139 Å²	139	86%	0.861	78%	0.784	S	S	*	*			trans	-66.5	116	167.1	-70.8	-68.4	0	0	0	109.6
59	V	25.9	Very low	30.7	Very low	122 Å²	122	129.8 Å²	129.8	74%	0.739	76%	0.761	S	S	*	*			trans	-118.3	94.8	166.4	-176.8	0	0	0	0	107.9	Q57 S61	Q57-V59 PolarHBondContact O-N 3.43Å; V59-S61 PolarHBondContact O-N 2.75Å
60	T	27.4	Very low	32.1	Very low	132 Å²	132	128.9 Å²	128.9	81%	0.81	74%	0.744	S	S	*	*			trans	-64.6	99	172.7	50.9	0	0	0	0	109.6
61	S	23.7	Very low	34.2	Very low	100 Å²	100	127.4 Å²	127.4	70%	0.699	73%	0.733	S	S	*	*			trans	-69.5	126.8	176.6	47.9	0	0	0	0	110.4	V59 V63	V59-S61 PolarHBondContact O-N 2.75Å; S61-V63 PolarHBondContact O-N 2.85Å
62	P	29.3	Very low	36.4	Very low	111 Å²	111	119.2 Å²	119.2	72%	0.721	70%	0.7	S	S	*	*			trans	-76.8	115.7	-177	28.9	-33.3	0	0	0	110.7	K64	P62-K64 PolarHBondContact O-N 2.75Å
63	V	28.9	Very low	38.7	Very low	147 Å²	147	111.7 Å²	111.7	89%	0.891	67%	0.665	S	S	*	*			trans	-60.6	99.7	175	-179.6	0	0	0	0	110	S61	S61-V63 PolarHBondContact O-N 2.85Å
64	K	31.2	Very low	41.3	Very low	191 Å²	191	109.4 Å²	109.4	83%	0.83	65%	0.649	S	S	*	*			trans	-90.4	124.3	168.4	-79.4	-173	174.9	-179.3	0	109	P62 G66	P62-K64 PolarHBondContact O-N 2.75Å; K64-G66 PolarHBondContact O-N 3.15Å; K64-G66 VanDerWaalsContact O-N 3.07Å
65	K	33.2	Very low	44.2	Very low	210 Å²	210	106.7 Å²	106.7	91%	0.913	63%	0.625	S	S	*	*			trans	-51.2	109.7	-178.9	-66.1	176.3	172.6	-178.1	0	111.9
66	G	27.2	Very low	47.2	Very low	66 Å²	66	101 Å²	101	68%	0.68	59%	0.585	S	S	*	*			trans	-79	178.5	160.4	0	0	0	0	0	111.6	K64	K64-G66 PolarHBondContact O-N 3.15Å; K64-G66 VanDerWaalsContact O-N 3.07Å
67	S	37.2	Very low	49.9	Very low	89 Å²	89	96.5 Å²	96.5	62%	0.622	55%	0.552	S	S	*	*			trans	-60	134	173.9	-179.7	0	0	0	0	111.2	A69 S70	S67-A69 PolarHBondContact O-N 2.97Å; S67-A69 VanDerWaalsContact O-N 3.11Å; S67-S70 WeakPolarHBondContact O-CB 3.32Å; S67-S70 PolarHBondContact O-N 2.81Å
68	G	42.7	Very low	52.8	Low	51 Å²	51	93.4 Å²	93.4	53%	0.526	54%	0.538	S	S	.	.	H	α-helix	trans	-59.2	-24	-179.9	0	0	0	0	0	114.2	S70 E71 T72	G68-S70 VanDerWaalsContact C-N 3.26Å; G68-S70 PolarHBondContact O-N 3.27Å; G68-E71 WeakPolarHBondContact O-CB 3.19Å; G68-E71 PolarHBondContact O-N 3.06Å; G68-T72 PolarHBondContact O-N 2.71Å; G68-T72 VanDerWaalsContact O-N 3.1Å; G68-T72 PolarHBondContact O-OG1 3.03Å
69	A	49.3	Very low	55.8	Low	53 Å²	53	85.9 Å²	85.9	44%	0.438	50%	0.497	S	S	.	.	H	α-helix	trans	-65.6	-25.9	175	0	0	0	0	0	113.6	S67 T72 Q73	S67-A69 PolarHBondContact O-N 2.97Å; S67-A69 VanDerWaalsContact O-N 3.11Å; A69-T72 WeakPolarHBondContact CA-OG1 3.31Å; A69-T72 PolarHBondContact O-OG1 3.46Å; A69-T72 VanDerWaalsContact O-OG1 3.08Å; A69-Q73 WeakPolarHBondContact O-CB 3.43Å; A69-Q73 VanDerWaalsContact O-CG 3.29Å; A69-Q73 WeakPolarHBondContact O-CG 3.46Å; A69-Q73 PolarHBondContact O-N 3.04Å; A69-Q73 PolarHBondContact O-OE1 3.25Å
70	S	60.3	Low	59	Low	51 Å²	51	80.2 Å²	80.2	36%	0.357	46%	0.463	S	S	.	.	H	α-helix	trans	-74.6	-38.7	173.5	-176.7	0	0	0	0	110.9	S67 G68 Q73 H74	S67-S70 WeakPolarHBondContact O-CB 3.32Å; S67-S70 PolarHBondContact O-N 2.81Å; G68-S70 VanDerWaalsContact C-N 3.26Å; G68-S70 PolarHBondContact O-N 3.27Å; S70-Q73 PolarHBondContact O-N 2.95Å; S70-H74 PolarHBondContact O-N 2.95Å; S70-H74 PolarHBondContact O-ND1 3.47Å; S70-H74 PolarHBondContact OG-CE1 2.89Å; S70-H74 PolarHBondContact OG-ND1 3.42Å
71	E	72.3	Confident	62	Low	134 Å²	134	75.5 Å²	75.5	63%	0.626	43%	0.433	S	S	*	.	H	α-helix	trans	-65.7	-39.4	177.8	-168.2	70.6	-151.8	0	0	112	G68 R75	G68-E71 WeakPolarHBondContact O-CB 3.19Å; G68-E71 PolarHBondContact O-N 3.06Å; E71-R75 VanDerWaalsContact O-CB 3.32Å; E71-R75 WeakPolarHBondContact O-CB 3.19Å; E71-R75 PolarHBondContact O-N 3.01Å; E71-R75 VanDerWaalsContact O-N 3.13Å
72	T	79.6	Confident	65.2	Low	23 Å²	23	76.4 Å²	76.4	14%	0.141	43%	0.426	C	S	.	.	H	α-helix	trans	-68	-41.6	174.2	52.4	0	0	0	0	111.8	G68 A69 R75 H76 S129	G68-T72 PolarHBondContact O-N 2.71Å; G68-T72 VanDerWaalsContact O-N 3.1Å; G68-T72 PolarHBondContact O-OG1 3.03Å; A69-T72 WeakPolarHBondContact CA-OG1 3.31Å; A69-T72 PolarHBondContact O-OG1 3.46Å; A69-T72 VanDerWaalsContact O-OG1 3.08Å; T72-R75 WeakPolarHBondContact O-CB 3.47Å; T72-R75 PolarHBondContact O-N 3.25Å; T72-H76 VanDerWaalsContact O-CG 3.25Å; T72-H76 PolarHBondContact O-N 3.49Å; T72-S129 WeakPolarHBondContact CG2-O 3.39Å
73	Q	78	Confident	68.2	Low	28 Å²	28	73.8 Å²	73.8	13%	0.131	40%	0.404	C	S	.	.	H	α-helix	trans	-64.5	-42	178.1	-76.4	171	-18.1	0	0	112.9	L34 A69 S70 R75 H76 L77	L34-Q73 HydrophobicContact CD2-CB 4.16Å; A69-Q73 WeakPolarHBondContact O-CB 3.43Å; A69-Q73 VanDerWaalsContact O-CG 3.29Å; A69-Q73 WeakPolarHBondContact O-CG 3.46Å; A69-Q73 PolarHBondContact O-N 3.04Å; A69-Q73 PolarHBondContact O-OE1 3.25Å; S70-Q73 PolarHBondContact O-N 2.95Å; Q73-R75 VanDerWaalsContact C-N 3.34Å; Q73-R75 PolarHBondContact O-N 3.37Å; Q73-H76 PolarHBondContact O-N 3.11Å; Q73-L77 WeakPolarHBondContact O-CB 3.33Å; Q73-L77 PolarHBondContact O-N 3.18Å
74	H	80.6	Confident	71.2	Confident	92 Å²	92	67.8 Å²	67.8	43%	0.426	37%	0.367	S	S	.	.	H	α-helix	trans	-63.9	-38	173	-74.3	87	0	0	0	112.4	S70 L77 H78	S70-H74 PolarHBondContact O-N 2.95Å; S70-H74 PolarHBondContact O-ND1 3.47Å; S70-H74 PolarHBondContact OG-CE1 2.89Å; S70-H74 PolarHBondContact OG-ND1 3.42Å; H74-L77 PolarHBondContact O-N 3.46Å; H74-H78 PolarHBondContact O-N 2.84Å
75	R	87.7	Confident	74.1	Confident	69 Å²	69	61.1 Å²	61.1	26%	0.26	34%	0.336	S	S	.	.	H	α-helix	trans	-64.8	-42.9	175.6	-168.8	-162.4	-45.5	173.6	13.3	112	E71 T72 Q73 H78 A79 E130 T132	E71-R75 VanDerWaalsContact O-CB 3.32Å; E71-R75 WeakPolarHBondContact O-CB 3.19Å; E71-R75 PolarHBondContact O-N 3.01Å; E71-R75 VanDerWaalsContact O-N 3.13Å; T72-R75 WeakPolarHBondContact O-CB 3.47Å; T72-R75 PolarHBondContact O-N 3.25Å; Q73-R75 VanDerWaalsContact C-N 3.34Å; Q73-R75 PolarHBondContact O-N 3.37Å; R75-H78 PolarHBondContact O-N 3.43Å; R75-A79 PolarHBondContact O-N 3.26Å; R75-E130 IonicContact CZ-OE2 2.81Å; R75-E130 PolarHBondContact NH1-O 3.46Å; R75-E130 IonicContact NH1-OE2 2.72Å; R75-E130 PolarHBondContact NH1-OE2 2.9Å; R75-E130 IonicContact NH2-OE2 2.68Å; R75-E130 PolarHBondContact NH2-OE2 3.29Å; R75-T132 HydrophobicContact CG-CG2 4.18Å
76	H	90.4	Very high	76.6	Confident	4 Å²	4	56.3 Å²	56.3	2%	0.019	33%	0.327	C	S	.	.	H	α-helix	trans	-63.5	-46.7	175	-66.5	169.7	0	0	0	111	T72 Q73 H78 A79 M80 Y106 F126 S129	T72-H76 VanDerWaalsContact O-CG 3.25Å; T72-H76 PolarHBondContact O-N 3.49Å; Q73-H76 PolarHBondContact O-N 3.11Å; H76-H78 VanDerWaalsContact C-N 3.33Å; H76-H78 PolarHBondContact O-N 3.31Å; H76-A79 WeakPolarHBondContact O-CB 3.41Å; H76-A79 PolarHBondContact O-N 3.24Å; H76-A79 VanDerWaalsContact O-N 3.1Å; H76-M80 HydrophobicContact CB-CE 4.11Å; H76-M80 WeakPolarHBondContact O-CG 3.25Å; H76-M80 PolarHBondContact O-N 3.1Å; H76-Y106 HydrophobicContact CB-CE2 4.06Å; H76-Y106 AromaticContact ND1-CE2 3.46Å; H76-Y106 WeakPolarHBondContact ND1-CE2 3.48Å; H76-Y106 AromaticContact ND1-CZ 3.63Å; H76-Y106 PolarHBondContact ND1-OH 2.87Å; H76-F126 HydrophobicContact CB-CD1 4.47Å; H76-F126 HydrophobicContact CB-CE1 3.75Å; H76-F126 HydrophobicContact CB-CE2 4.28Å; H76-F126 HydrophobicContact CB-CZ 3.64Å; H76-F126 AromaticContact CD2-CD1 3.44Å; H76-F126 VanDerWaalsContact CD2-CD1 3.44Å; H76-F126 WeakPolarHBondContact CD2-CD1 3.16Å; H76-F126 AromaticContact CD2-CE1 3.43Å; H76-F126 VanDerWaalsContact CD2-CE1 3.43Å; H76-F126 WeakPolarHBondContact CD2-CE1 3.38Å; H76-F126 AromaticContact CG-CD1 3.97Å; H76-F126 AromaticContact CG-CE1 3.72Å; H76-F126 AromaticContact NE2-CD1 3.87Å; H76-F126 WeakPolarHBondContact O-CZ 3.24Å; H76-S129 PolarHBondContact NE2-O 2.94Å
77	L	88.6	Confident	79.5	Confident	11 Å²	11	57.5 Å²	57.5	6%	0.058	31%	0.314	C	S	.	.	H	α-helix	trans	-56.4	-44.4	176.8	-175.8	72.5	0	0	0	112.3	F32 V39 Q73 H74 A79 M80 L81 I90	F32-L77 HydrophobicContact CD1-CD1 4.43Å; F32-L77 HydrophobicContact CD1-CD2 3.93Å; F32-L77 HydrophobicContact CD2-CD2 3.91Å; F32-L77 HydrophobicContact CE1-CD1 4.09Å; F32-L77 HydrophobicContact CE1-CD2 3.99Å; F32-L77 HydrophobicContact CE2-CD2 4Å; F32-L77 HydrophobicContact CG-CD2 3.87Å; F32-L77 HydrophobicContact CZ-CD2 4.03Å; V39-L77 HydrophobicContact CG1-CD1 4.18Å; V39-L77 HydrophobicContact CG1-CD2 4.1Å; Q73-L77 WeakPolarHBondContact O-CB 3.33Å; Q73-L77 PolarHBondContact O-N 3.18Å; H74-L77 PolarHBondContact O-N 3.46Å; L77-A79 VanDerWaalsContact C-N 3.34Å; L77-A79 PolarHBondContact O-N 3.22Å; L77-M80 WeakPolarHBondContact O-CB 3.21Å; L77-M80 PolarHBondContact O-N 2.69Å; L77-L81 HydrophobicContact CG-CD1 4.22Å; L77-L81 WeakPolarHBondContact O-CG 3.27Å; L77-L81 PolarHBondContact O-N 3.44Å; L77-I90 HydrophobicContact CD1-CD1 4.07Å
78	H	87.4	Confident	82	Confident	117 Å²	117	53.8 Å²	53.8	54%	0.542	29%	0.288	S	S	.	.	H	α-helix	trans	-60.2	-43	175.9	-167.6	-70	0	0	0	111.9	H74 R75 H76 M80 L81 E82	H74-H78 PolarHBondContact O-N 2.84Å; R75-H78 PolarHBondContact O-N 3.43Å; H76-H78 VanDerWaalsContact C-N 3.33Å; H76-H78 PolarHBondContact O-N 3.31Å; H78-M80 VanDerWaalsContact C-N 3.33Å; H78-M80 PolarHBondContact O-N 3.45Å; H78-L81 PolarHBondContact O-N 2.89Å; H78-E82 IonicContact CE1-OE1 2.76Å; H78-E82 PolarHBondContact CE1-OE1 2.93Å; H78-E82 IonicContact ND1-OE1 3.73Å; H78-E82 PolarHBondContact ND1-OE1 2.82Å; H78-E82 WeakPolarHBondContact O-CG 3.17Å; H78-E82 PolarHBondContact O-N 3.09Å
79	A	91.3	Very high	84.2	Confident	2 Å²	2	51.7 Å²	51.7	2%	0.017	27%	0.265	C	S	.	.	H	α-helix	trans	-66.6	-31.6	177.3	0	0	0	0	0	113.1	R75 H76 L77 F126 T132	R75-A79 PolarHBondContact O-N 3.26Å; H76-A79 WeakPolarHBondContact O-CB 3.41Å; H76-A79 PolarHBondContact O-N 3.24Å; H76-A79 VanDerWaalsContact O-N 3.1Å; L77-A79 VanDerWaalsContact C-N 3.34Å; L77-A79 PolarHBondContact O-N 3.22Å; A79-F126 HydrophobicContact CB-CE1 3.87Å; A79-F126 HydrophobicContact CB-CZ 4.16Å; A79-T132 WeakPolarHBondContact CB-O 3.34Å
80	M	93.5	Very high	86.1	Confident	4 Å²	4	49.3 Å²	49.3	2%	0.02	24%	0.244	C	C	.	.	H	α-helix	trans	-67.6	-46.8	172	-61.3	167.3	-164.3	0	0	111.2	H76 L77 H78 E82 Q83 L84 I90 A93 Y106 I108 M124 F126	H76-M80 HydrophobicContact CB-CE 4.11Å; H76-M80 WeakPolarHBondContact O-CG 3.25Å; H76-M80 PolarHBondContact O-N 3.1Å; L77-M80 WeakPolarHBondContact O-CB 3.21Å; L77-M80 PolarHBondContact O-N 2.69Å; H78-M80 VanDerWaalsContact C-N 3.33Å; H78-M80 PolarHBondContact O-N 3.45Å; M80-E82 PolarHBondContact O-N 3.41Å; M80-Q83 WeakPolarHBondContact O-CB 3.38Å; M80-Q83 PolarHBondContact O-N 3.22Å; M80-L84 PolarHBondContact O-N 3.25Å; M80-I90 HydrophobicContact CB-CD1 3.89Å; M80-I90 HydrophobicContact SD-CD1 4.41Å; M80-A93 HydrophobicContact SD-CB 4.1Å; M80-Y106 HydrophobicContact CE-CD1 3.77Å; M80-Y106 HydrophobicContact CE-CD2 3.26Å; M80-Y106 HydrophobicContact CE-CE1 4.24Å; M80-Y106 HydrophobicContact CE-CE2 3.73Å; M80-Y106 HydrophobicContact CE-CG 3.27Å; M80-I108 HydrophobicContact SD-CG2 3.92Å; M80-M124 HydrophobicContact CB-SD 3.83Å; M80-M124 HydrophobicContact CG-SD 3.71Å; M80-F126 HydrophobicContact CE-CE2 3.8Å; M80-F126 HydrophobicContact CE-CZ 4.02Å; M80-F126 HydrophobicContact CG-CE2 4.32Å; M80-F126 HydrophobicContact CG-CZ 4.12Å
81	L	90.2	Very high	87.1	Confident	32 Å²	32	48.7 Å²	48.7	17%	0.168	24%	0.235	C	C	.	.	H	α-helix	trans	-62.9	-29.2	179.6	-69.7	169.1	0	0	0	112.3	F32 L77 H78 Q83 L84 I90	F32-L81 HydrophobicContact CZ-CD1 4.34Å; L77-L81 HydrophobicContact CG-CD1 4.22Å; L77-L81 WeakPolarHBondContact O-CG 3.27Å; L77-L81 PolarHBondContact O-N 3.44Å; H78-L81 PolarHBondContact O-N 2.89Å; L81-Q83 VanDerWaalsContact C-N 3.28Å; L81-Q83 PolarHBondContact O-N 2.89Å; L81-L84 PolarHBondContact O-N 3Å; L81-I90 HydrophobicContact CD2-CD1 3.75Å; L81-I90 HydrophobicContact CD2-CG1 4.03Å; L81-I90 HydrophobicContact CG-CD1 4.07Å
82	E	90.4	Very high	87.9	Confident	120 Å²	120	42.3 Å²	42.3	56%	0.561	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-19.5	171.5	-75.7	-177.6	165.8	0	0	114.2	H78 M80	H78-E82 IonicContact CE1-OE1 2.76Å; H78-E82 PolarHBondContact CE1-OE1 2.93Å; H78-E82 IonicContact ND1-OE1 3.73Å; H78-E82 PolarHBondContact ND1-OE1 2.82Å; H78-E82 WeakPolarHBondContact O-CG 3.17Å; H78-E82 PolarHBondContact O-N 3.09Å; M80-E82 PolarHBondContact O-N 3.41Å
83	Q	92	Very high	88.4	Confident	55 Å²	55	41.3 Å²	41.3	26%	0.257	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-14.9	174	-61.2	-51.6	-70.4	0	0	113.3	M80 L81 M124	M80-Q83 WeakPolarHBondContact O-CB 3.38Å; M80-Q83 PolarHBondContact O-N 3.22Å; L81-Q83 VanDerWaalsContact C-N 3.28Å; L81-Q83 PolarHBondContact O-N 2.89Å; Q83-M124 HydrophobicContact CB-CE 3.81Å; Q83-M124 HydrophobicContact CG-CE 4.43Å
84	L	92	Very high	89	Confident	21 Å²	21	40 Å²	40	11%	0.11	19%	0.193	C	C	.	.	S	Bend	trans	-85.6	154	-177.5	-61.8	-169.8	0	0	0	113.1	M80 L81 I90 V110 L122 M124 Y206	M80-L84 PolarHBondContact O-N 3.25Å; L81-L84 PolarHBondContact O-N 3Å; L84-I90 HydrophobicContact CD1-CD1 4.2Å; L84-I90 HydrophobicContact CD1-CG1 3.5Å; L84-V110 HydrophobicContact CD1-CG1 4.3Å; L84-V110 HydrophobicContact CD1-CG2 4.2Å; L84-V110 HydrophobicContact CD2-CG2 4.21Å; L84-L122 HydrophobicContact CD2-CD1 3.74Å; L84-M124 HydrophobicContact CD2-CE 4.13Å; L84-Y206 HydrophobicContact CD2-CE1 3.88Å
85	R	91.6	Very high	89.5	Confident	51 Å²	51	37.7 Å²	37.7	19%	0.192	18%	0.183	C	C	.	.			trans	-68.6	151.4	169.9	-57.5	-176.3	-55.7	138	5.4	110.4	E87 D88 T112 W202 Y206	R85-E87 WeakPolarHBondContact CB-OE2 3.38Å; R85-E87 IonicContact NH1-OE2 3.44Å; R85-E87 PolarHBondContact O-N 3.28Å; R85-D88 IonicContact CZ-OD1 3.98Å; R85-D88 IonicContact CZ-OD2 2.71Å; R85-D88 VanDerWaalsContact CZ-OD2 3.26Å; R85-D88 IonicContact NE-OD1 2.67Å; R85-D88 IonicContact NE-OD2 3.32Å; R85-D88 PolarHBondContact NE-OD2 3.16Å; R85-D88 IonicContact NH2-OD1 3.84Å; R85-D88 PolarHBondContact NH2-OD1 3.47Å; R85-D88 IonicContact NH2-OD2 3.17Å; R85-D88 PolarHBondContact NH2-OD2 3.11Å; R85-D88 PolarHBondContact O-N 3.42Å; R85-T112 PolarHBondContact NH2-OG1 3.15Å; R85-W202 VanDerWaalsContact NH2-CB 3.32Å; R85-Y206 HydrophobicContact CG-CE1 4.48Å; R85-Y206 PolarHBondContact N-OH 3.49Å
86	P	85.8	Confident	89.7	Confident	109 Å²	109	35 Å²	35	71%	0.708	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-15.3	-179.9	-22.9	34.8	0	0	0	115.3
87	E	88.3	Confident	89.7	Confident	91 Å²	91	39.6 Å²	39.6	43%	0.425	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-2.4	177.8	-50.2	79.1	-164.4	0	0	113.9	R85 T112 L113	R85-E87 WeakPolarHBondContact CB-OE2 3.38Å; R85-E87 IonicContact NH1-OE2 3.44Å; R85-E87 PolarHBondContact O-N 3.28Å; E87-T112 PolarHBondContact O-OG1 2.92Å; E87-L113 WeakPolarHBondContact O-CB 3.49Å; E87-L113 WeakPolarHBondContact O-CG 3.42Å; E87-L113 PolarHBondContact O-N 3.31Å
88	D	91	Very high	89.6	Confident	11 Å²	11	40.6 Å²	40.6	6%	0.059	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	136.9	-171.3	-67.3	-20.1	0	0	0	112.8	R85 V110 T112 Y206	R85-D88 IonicContact CZ-OD1 3.98Å; R85-D88 IonicContact CZ-OD2 2.71Å; R85-D88 VanDerWaalsContact CZ-OD2 3.26Å; R85-D88 IonicContact NE-OD1 2.67Å; R85-D88 IonicContact NE-OD2 3.32Å; R85-D88 PolarHBondContact NE-OD2 3.16Å; R85-D88 IonicContact NH2-OD1 3.84Å; R85-D88 PolarHBondContact NH2-OD1 3.47Å; R85-D88 IonicContact NH2-OD2 3.17Å; R85-D88 PolarHBondContact NH2-OD2 3.11Å; R85-D88 PolarHBondContact O-N 3.42Å; D88-V110 HydrophobicContact CB-CG1 3.81Å; D88-T112 WeakPolarHBondContact OD1-CA 3.38Å; D88-T112 WeakPolarHBondContact OD1-CB 3.23Å; D88-T112 PolarHBondContact OD1-OG1 3.32Å; D88-Y206 WeakPolarHBondContact OD2-CE2 3.36Å; D88-Y206 PolarHBondContact OD2-OH 2.75Å
89	T	87.4	Confident	89.4	Confident	8 Å²	8	40.7 Å²	40.7	5%	0.049	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	136.7	-177.9	57.7	0	0	0	0	111.7	L41 K91 V110 S111 L113	L41-T89 HydrophobicContact CD2-CG2 4.49Å; T89-K91 PolarHBondContact O-N 2.99Å; T89-V110 WeakPolarHBondContact O-CA 3.26Å; T89-S111 PolarHBondContact N-O 3.49Å; T89-S111 PolarHBondContact O-N 2.92Å; T89-S111 PolarHBondContact OG1-O 3.38Å; T89-S111 PolarHBondContact OG1-OG 3.41Å; T89-L113 HydrophobicContact CG2-CD2 4.22Å; T89-L113 HydrophobicContact CG2-CG 4.29Å
90	I	88.9	Confident	89	Confident	2 Å²	2	41.9 Å²	41.9	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	119.9	171.2	-58.4	178.9	0	0	0	107.6	L41 L77 M80 L81 L84 A93 I108 V109	L41-I90 WeakPolarHBondContact CB-O 3.37Å; L41-I90 WeakPolarHBondContact CD2-O 3.41Å; L77-I90 HydrophobicContact CD1-CD1 4.07Å; M80-I90 HydrophobicContact CB-CD1 3.89Å; M80-I90 HydrophobicContact SD-CD1 4.41Å; L81-I90 HydrophobicContact CD2-CD1 3.75Å; L81-I90 HydrophobicContact CD2-CG1 4.03Å; L81-I90 HydrophobicContact CG-CD1 4.07Å; L84-I90 HydrophobicContact CD1-CD1 4.2Å; L84-I90 HydrophobicContact CD1-CG1 3.5Å; I90-A93 HydrophobicContact CG2-CB 4.21Å; I90-I108 HydrophobicContact CD1-CD1 4.2Å; I90-I108 HydrophobicContact CG1-CD1 4.21Å; I90-I108 HydrophobicContact CG2-CB 4.44Å; I90-V109 CarbonylContact C-O 3.6Å
91	K	83.1	Confident	88.3	Confident	38 Å²	38	48 Å²	48	17%	0.165	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	-44.7	170.7	-72.5	-74.4	159.5	-170.6	0	111.4	L40 L41 E43 T89 V109 S111 V181	L40-K91 WeakPolarHBondContact CD1-O 3.46Å; L41-K91 PolarHBondContact N-O 3.35Å; E43-K91 IonicContact OE1-NZ 3.15Å; E43-K91 PolarHBondContact OE1-NZ 3.23Å; E43-K91 IonicContact OE2-NZ 2.76Å; E43-K91 PolarHBondContact OE2-NZ 3.24Å; T89-K91 PolarHBondContact O-N 2.99Å; K91-V109 HydrophobicContact CB-CB 4.25Å; K91-V109 HydrophobicContact CB-CG1 4.27Å; K91-V109 PolarHBondContact N-O 3.21Å; K91-S111 WeakPolarHBondContact CE-OG 3.23Å; K91-S111 WeakPolarHBondContact CG-OG 3.5Å; K91-V181 HydrophobicContact CB-CG1 4.29Å
92	L	87.5	Confident	88.1	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	139.3	179.2	178.5	73	0	0	0	108.8	A38 V39 L40 V94 I108 V109 I178 V181	A38-L92 HydrophobicContact CB-CD1 4.37Å; V39-L92 CarbonylContact O-C 3.53Å; V39-L92 WeakPolarHBondContact O-CA 3.32Å; L40-L92 HydrophobicContact CB-CD1 4.1Å; L40-L92 HydrophobicContact CD1-CB 4.19Å; L40-L92 HydrophobicContact CD1-CD1 3.82Å; L92-V94 HydrophobicContact CD1-CG1 4.18Å; L92-V94 HydrophobicContact CD2-CG1 3.63Å; L92-V94 HydrophobicContact CG-CG1 3.78Å; L92-I108 CarbonylContact O-C 3.25Å; L92-I108 VanDerWaalsContact O-CA 3.29Å; L92-I108 WeakPolarHBondContact O-CA 3.46Å; L92-V109 HydrophobicContact CB-CB 4.48Å; L92-V109 HydrophobicContact CB-CG2 4.21Å; L92-V109 PolarHBondContact O-N 2.78Å; L92-I178 VanDerWaalsContact CD2-CA 3.44Å; L92-I178 HydrophobicContact CD2-CB 3.78Å; L92-I178 HydrophobicContact CD2-CG1 4.19Å; L92-V181 HydrophobicContact CB-CG1 4.26Å; L92-V181 HydrophobicContact CB-CG2 4.28Å; L92-V181 HydrophobicContact CD2-CB 4.16Å; L92-V181 HydrophobicContact CD2-CG2 4.04Å
93	A	90.2	Very high	88	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.008	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	127.2	164.3	0	0	0	0	0	109.3	A38 V39 M80 I90 I108	A38-A93 CarbonylContact C-O 3.45Å; A38-A93 VanDerWaalsContact CA-O 3.27Å; A38-A93 WeakPolarHBondContact CA-O 3.34Å; V39-A93 HydrophobicContact CB-CB 4.5Å; V39-A93 PolarHBondContact N-O 3.48Å; V39-A93 PolarHBondContact O-N 3.07Å; M80-A93 HydrophobicContact SD-CB 4.1Å; I90-A93 HydrophobicContact CG2-CB 4.21Å; A93-I108 HydrophobicContact CB-CB 4.22Å; A93-I108 HydrophobicContact CB-CG2 3.45Å; A93-I108 VanDerWaalsContact CB-CG2 3.45Å
94	V	90.8	Very high	88	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	140.4	173.6	-53.1	0	0	0	0	111.8	G37 A38 L92 L96 Y106 L107 I178	G37-V94 CarbonylContact O-C 3.59Å; G37-V94 WeakPolarHBondContact O-CA 3.23Å; A38-V94 HydrophobicContact CB-CG1 4.02Å; L92-V94 HydrophobicContact CD1-CG1 4.18Å; L92-V94 HydrophobicContact CD2-CG1 3.63Å; L92-V94 HydrophobicContact CG-CG1 3.78Å; V94-L96 HydrophobicContact CG2-CD2 4.15Å; V94-Y106 CarbonylContact O-C 3.53Å; V94-Y106 VanDerWaalsContact O-CA 3.23Å; V94-Y106 WeakPolarHBondContact O-CA 3.34Å; V94-L107 HydrophobicContact CG2-CB 4.15Å; V94-L107 PolarHBondContact N-O 3.2Å; V94-L107 PolarHBondContact O-N 3.12Å; V94-I178 HydrophobicContact CG1-CB 4.04Å; V94-I178 HydrophobicContact CG1-CD1 4.47Å; V94-I178 HydrophobicContact CG2-CB 4.25Å; V94-I178 HydrophobicContact CG2-CD1 3.58Å; V94-I178 HydrophobicContact CG2-CG2 4.41Å
95	E	92.4	Very high	88.1	Confident	45 Å²	45	45.6 Å²	45.6	21%	0.21	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	136.2	175.8	-154.6	167.7	127	0	0	109.5	G37 V104 R105 Y106 V170	G37-E95 PolarHBondContact O-N 3.07Å; E95-V104 HydrophobicContact CG-CG1 3.76Å; E95-R105 WeakPolarHBondContact CA-O 3.27Å; E95-Y106 HydrophobicContact CB-CD1 3.97Å; E95-Y106 HydrophobicContact CB-CE1 3.58Å; E95-Y106 HydrophobicContact CG-CD1 4.24Å; E95-Y106 HydrophobicContact CG-CE1 3.65Å; E95-Y106 WeakPolarHBondContact OE2-CE1 3.49Å; E95-Y106 PolarHBondContact OE2-OH 2.59Å; E95-V170 HydrophobicContact CB-CG1 4.13Å; E95-V170 HydrophobicContact CB-CG2 3.97Å; E95-V170 HydrophobicContact CG-CG1 4.17Å; E95-V170 PolarHBondContact O-N 2.84Å; E95-V170 VanDerWaalsContact O-N 3.16Å
96	L	91.6	Very high	88.3	Confident	12 Å²	12	43.5 Å²	43.5	6%	0.063	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	151.2	178	-58.4	-171.7	0	0	0	111.7	V94 S98 R105 L107 F167 K168 P169 W220	V94-L96 HydrophobicContact CG2-CD2 4.15Å; L96-S98 PolarHBondContact O-N 3.35Å; L96-R105 HydrophobicContact CB-CB 4.44Å; L96-R105 HydrophobicContact CB-CG 4.13Å; L96-R105 HydrophobicContact CD1-CG 4.21Å; L96-R105 HydrophobicContact CG-CG 4.4Å; L96-R105 PolarHBondContact N-O 3.37Å; L96-L107 HydrophobicContact CD1-CB 3.96Å; L96-L107 HydrophobicContact CD2-CB 4.18Å; L96-L107 HydrophobicContact CG-CB 4.09Å; L96-F167 HydrophobicContact CD1-CB 4.22Å; L96-F167 HydrophobicContact CD1-CD1 3.92Å; L96-F167 HydrophobicContact CD2-CB 4.34Å; L96-K168 CarbonylContact C-O 3.6Å; L96-K168 WeakPolarHBondContact CA-O 3.06Å; L96-K168 WeakPolarHBondContact CB-O 3.17Å; L96-P169 HydrophobicContact CD2-CG 4.35Å; L96-W220 HydrophobicContact CD1-CH2 4.05Å; L96-W220 HydrophobicContact CD1-CZ3 3.82Å
97	E	89.5	Confident	88.8	Confident	100 Å²	100	38.3 Å²	38.3	47%	0.467	21%	0.21	S	C	.	.			trans	-56.6	128.7	162.2	-62.6	-167.2	156.9	0	0	109.4	K168	E97-K168 HydrophobicContact CB-CB 4.07Å; E97-K168 HydrophobicContact CG-CB 4.26Å; E97-K168 PolarHBondContact N-O 3.47Å
98	S	86.1	Confident	89.1	Confident	33 Å²	33	34 Å²	34	23%	0.231	19%	0.189	C	C	.	.			trans	-112.8	146	169.8	179.3	0	0	0	0	110.9	L96 S100 E219	L96-S98 PolarHBondContact O-N 3.35Å; S98-S100 PolarHBondContact O-N 2.82Å; S98-S100 PolarHBondContact OG-N 3.32Å; S98-S100 VanDerWaalsContact OG-N 3.09Å; S98-E219 WeakPolarHBondContact CA-OE1 3.2Å; S98-E219 PolarHBondContact OG-OE1 3.17Å
99	V	84	Confident	89.2	Confident	119 Å²	119	33.5 Å²	33.5	72%	0.721	19%	0.187	S	C	*	.	S	Bend	trans	-63.5	-22.9	170.2	-176.6	0	0	0	0	111.1	F215 E219	V99-F215 HydrophobicContact CG1-CZ 4.47Å; V99-E219 HydrophobicContact CG2-CG 4.19Å; V99-E219 PolarHBondContact N-OE1 3.48Å
100	S	82.8	Confident	89.5	Confident	26 Å²	26	33.1 Å²	33.1	18%	0.182	18%	0.184	C	C	.	.	S	Bend	trans	-99.2	111.7	175.2	-167.5	0	0	0	0	111.3	S98 V102 R103	S98-S100 PolarHBondContact O-N 2.82Å; S98-S100 PolarHBondContact OG-N 3.32Å; S98-S100 VanDerWaalsContact OG-N 3.09Å; S100-V102 PolarHBondContact O-N 2.66Å; S100-R103 PolarHBondContact O-N 3.4Å
101	P	78.6	Confident	89.6	Confident	133 Å²	133	33.1 Å²	33.1	86%	0.864	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	7.1	-178.3	32.3	-38.2	0	0	0	114.2
102	V	86.8	Confident	89.8	Confident	91 Å²	91	31.6 Å²	31.6	55%	0.552	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.8	-35.7	175.5	-178.7	0	0	0	0	110.9	S100 S128	S100-V102 PolarHBondContact O-N 2.66Å; V102-S128 WeakPolarHBondContact O-CA 3.25Å
103	R	88.9	Confident	89.4	Confident	64 Å²	64	36.5 Å²	36.5	24%	0.242	20%	0.204	C	C	.	.			trans	-82.1	150.5	-176.6	-63.2	179.9	-175.8	-116	2.5	110	S100 F126 D213 C216	S100-R103 PolarHBondContact O-N 3.4Å; R103-F126 WeakPolarHBondContact CA-O 3.45Å; R103-D213 IonicContact CZ-OD1 3.61Å; R103-D213 IonicContact CZ-OD2 2.72Å; R103-D213 IonicContact NH1-OD1 3.18Å; R103-D213 IonicContact NH1-OD2 3.2Å; R103-D213 PolarHBondContact NH1-OD2 2.93Å; R103-D213 IonicContact NH2-OD1 3.97Å; R103-D213 IonicContact NH2-OD2 2.7Å; R103-D213 PolarHBondContact NH2-OD2 2.9Å; R103-C216 PolarHBondContact NH1-SG 3.33Å
104	V	91.6	Very high	88.9	Confident	15 Å²	15	41 Å²	41	9%	0.091	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	135.5	169.3	-171.5	0	0	0	0	107.8	E95 Y106 F126	E95-V104 HydrophobicContact CG-CG1 3.76Å; V104-Y106 HydrophobicContact CB-CE2 4.33Å; V104-Y106 HydrophobicContact CG1-CD2 4.2Å; V104-Y106 HydrophobicContact CG1-CE2 3.42Å; V104-Y106 VanDerWaalsContact CG1-CE2 3.42Å; V104-F126 HydrophobicContact CB-CB 4.24Å; V104-F126 PolarHBondContact N-O 2.67Å; V104-F126 VanDerWaalsContact N-O 3.15Å; V104-F126 WeakPolarHBondContact O-CB 3.42Å; V104-F126 PolarHBondContact O-N 3.13Å
105	R	93.6	Very high	88.5	Confident	8 Å²	8	42.4 Å²	42.4	3%	0.03	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	134.3	-176.8	173.4	165.4	-74.1	171.4	13.8	109.4	E95 L96 D125 C216 E219 W220	E95-R105 WeakPolarHBondContact CA-O 3.27Å; L96-R105 HydrophobicContact CB-CB 4.44Å; L96-R105 HydrophobicContact CB-CG 4.13Å; L96-R105 HydrophobicContact CD1-CG 4.21Å; L96-R105 HydrophobicContact CG-CG 4.4Å; L96-R105 PolarHBondContact N-O 3.37Å; R105-D125 IonicContact CZ-OD1 3.91Å; R105-D125 VanDerWaalsContact CZ-OD1 3.26Å; R105-D125 IonicContact NE-OD1 2.77Å; R105-D125 PolarHBondContact NE-OD1 3.24Å; R105-D125 IonicContact NH2-OD1 2.67Å; R105-D125 PolarHBondContact NH2-OD1 3.47Å; R105-C216 PolarHBondContact NH2-O 3.24Å; R105-E219 IonicContact CZ-OE2 2.76Å; R105-E219 VanDerWaalsContact CZ-OE2 3.32Å; R105-E219 VanDerWaalsContact NH1-CD 3.31Å; R105-E219 PolarHBondContact NH1-O 2.91Å; R105-E219 IonicContact NH1-OE1 3.26Å; R105-E219 IonicContact NH1-OE2 3.7Å; R105-E219 PolarHBondContact NH1-OE2 3.31Å; R105-E219 IonicContact NH2-OE2 2.92Å; R105-E219 PolarHBondContact NH2-OE2 2.96Å; R105-W220 HydrophobicContact CG-CH2 3.42Å; R105-W220 VanDerWaalsContact CG-CH2 3.42Å; R105-W220 HydrophobicContact CG-CZ2 3.38Å; R105-W220 HydrophobicContact CG-CZ3 4.31Å; R105-W220 VanDerWaalsContact NE-CZ2 3.27Å
106	Y	95.3	Very high	87.6	Confident	7 Å²	7	45.2 Å²	45.2	3%	0.027	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	138.5	173.4	-65.8	-86.6	0	0	0	111	H76 M80 V94 E95 V104 M124 F126	H76-Y106 HydrophobicContact CB-CE2 4.06Å; H76-Y106 AromaticContact ND1-CE2 3.46Å; H76-Y106 WeakPolarHBondContact ND1-CE2 3.48Å; H76-Y106 AromaticContact ND1-CZ 3.63Å; H76-Y106 PolarHBondContact ND1-OH 2.87Å; M80-Y106 HydrophobicContact CE-CD1 3.77Å; M80-Y106 HydrophobicContact CE-CD2 3.26Å; M80-Y106 HydrophobicContact CE-CE1 4.24Å; M80-Y106 HydrophobicContact CE-CE2 3.73Å; M80-Y106 HydrophobicContact CE-CG 3.27Å; V94-Y106 CarbonylContact O-C 3.53Å; V94-Y106 VanDerWaalsContact O-CA 3.23Å; V94-Y106 WeakPolarHBondContact O-CA 3.34Å; E95-Y106 HydrophobicContact CB-CD1 3.97Å; E95-Y106 HydrophobicContact CB-CE1 3.58Å; E95-Y106 HydrophobicContact CG-CD1 4.24Å; E95-Y106 HydrophobicContact CG-CE1 3.65Å; E95-Y106 WeakPolarHBondContact OE2-CE1 3.49Å; E95-Y106 PolarHBondContact OE2-OH 2.59Å; V104-Y106 HydrophobicContact CB-CE2 4.33Å; V104-Y106 HydrophobicContact CG1-CD2 4.2Å; V104-Y106 HydrophobicContact CG1-CE2 3.42Å; V104-Y106 VanDerWaalsContact CG1-CE2 3.42Å; Y106-M124 PolarHBondContact N-O 3.36Å; Y106-M124 PolarHBondContact O-N 2.66Å; Y106-F126 AromaticContact CD2-CD2 3.73Å; Y106-F126 HydrophobicContact CD2-CD2 3.73Å; Y106-F126 AromaticContact CD2-CE2 3.58Å; Y106-F126 HydrophobicContact CD2-CE2 3.58Å; Y106-F126 AromaticContact CE2-CD2 3.96Å; Y106-F126 HydrophobicContact CE2-CD2 3.96Å; Y106-F126 AromaticContact CE2-CE2 3.93Å; Y106-F126 HydrophobicContact CE2-CE2 3.93Å
107	L	96	Very high	87.2	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	118.2	163.9	179.1	62.5	0	0	0	107.2	V94 L96 L121 F156 F167 I178	V94-L107 HydrophobicContact CG2-CB 4.15Å; V94-L107 PolarHBondContact N-O 3.2Å; V94-L107 PolarHBondContact O-N 3.12Å; L96-L107 HydrophobicContact CD1-CB 3.96Å; L96-L107 HydrophobicContact CD2-CB 4.18Å; L96-L107 HydrophobicContact CG-CB 4.09Å; L107-L121 HydrophobicContact CD1-CB 4.04Å; L107-F156 HydrophobicContact CD2-CZ 3.93Å; L107-F167 HydrophobicContact CD1-CD1 4.41Å; L107-F167 HydrophobicContact CD1-CE1 3.96Å; L107-F167 HydrophobicContact CD1-CZ 4.09Å; L107-F167 HydrophobicContact CD2-CB 4.04Å; L107-F167 HydrophobicContact CD2-CD1 3.7Å; L107-F167 HydrophobicContact CD2-CD2 3.72Å; L107-F167 HydrophobicContact CD2-CE1 3.99Å; L107-F167 HydrophobicContact CD2-CE2 4Å; L107-F167 HydrophobicContact CD2-CG 3.54Å; L107-F167 HydrophobicContact CD2-CZ 4.12Å; L107-I178 HydrophobicContact CB-CD1 4.47Å; L107-I178 HydrophobicContact CD2-CD1 3.58Å; L107-I178 HydrophobicContact CG-CD1 3.86Å
108	I	95.5	Very high	87.3	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	133.9	-176.2	73.5	168.6	0	0	0	110.6	M80 I90 L92 A93 V110 L121 L122 M124	M80-I108 HydrophobicContact SD-CG2 3.92Å; I90-I108 HydrophobicContact CD1-CD1 4.2Å; I90-I108 HydrophobicContact CG1-CD1 4.21Å; I90-I108 HydrophobicContact CG2-CB 4.44Å; L92-I108 CarbonylContact O-C 3.25Å; L92-I108 VanDerWaalsContact O-CA 3.29Å; L92-I108 WeakPolarHBondContact O-CA 3.46Å; A93-I108 HydrophobicContact CB-CB 4.22Å; A93-I108 HydrophobicContact CB-CG2 3.45Å; A93-I108 VanDerWaalsContact CB-CG2 3.45Å; I108-V110 HydrophobicContact CD1-CG2 3.78Å; I108-V110 HydrophobicContact CG1-CG2 3.9Å; I108-L121 WeakPolarHBondContact O-CA 3.48Å; I108-L122 HydrophobicContact CD1-CB 4.28Å; I108-L122 HydrophobicContact CD1-CD1 4.39Å; I108-L122 HydrophobicContact CG1-CB 3.73Å; I108-L122 PolarHBondContact N-O 3.41Å; I108-L122 PolarHBondContact O-N 3.02Å; I108-M124 HydrophobicContact CD1-CE 3.74Å; I108-M124 HydrophobicContact CD1-SD 3.66Å; I108-M124 HydrophobicContact CG1-SD 4.48Å
109	V	93.8	Very high	87.7	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	122.8	170.9	-169.2	0	0	0	0	107.3	I90 K91 L92 L121 I178 V181	I90-V109 CarbonylContact C-O 3.6Å; K91-V109 HydrophobicContact CB-CB 4.25Å; K91-V109 HydrophobicContact CB-CG1 4.27Å; K91-V109 PolarHBondContact N-O 3.21Å; L92-V109 HydrophobicContact CB-CB 4.48Å; L92-V109 HydrophobicContact CB-CG2 4.21Å; L92-V109 PolarHBondContact O-N 2.78Å; V109-L121 HydrophobicContact CB-CD2 4.25Å; V109-L121 HydrophobicContact CG1-CD2 4.31Å; V109-L121 HydrophobicContact CG2-CD2 3.72Å; V109-I178 HydrophobicContact CG2-CD1 4.38Å; V109-I178 HydrophobicContact CG2-CG1 4.4Å; V109-V181 HydrophobicContact CB-CG1 4.23Å; V109-V181 HydrophobicContact CG1-CG1 4.08Å; V109-V181 HydrophobicContact CG2-CG1 4.03Å
110	V	93.6	Very high	88.2	Confident	0 Å²	0	38 Å²	38	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	137.5	-179.6	178.8	0	0	0	0	109.8	L84 D88 T89 I108 S119 I120 L122 W202	L84-V110 HydrophobicContact CD1-CG1 4.3Å; L84-V110 HydrophobicContact CD1-CG2 4.2Å; L84-V110 HydrophobicContact CD2-CG2 4.21Å; D88-V110 HydrophobicContact CB-CG1 3.81Å; T89-V110 WeakPolarHBondContact O-CA 3.26Å; I108-V110 HydrophobicContact CD1-CG2 3.78Å; I108-V110 HydrophobicContact CG1-CG2 3.9Å; V110-S119 CarbonylContact O-C 3.47Å; V110-S119 WeakPolarHBondContact O-CA 3.48Å; V110-I120 HydrophobicContact CB-CG1 4.07Å; V110-I120 PolarHBondContact N-O 3.19Å; V110-I120 PolarHBondContact O-N 3.29Å; V110-L122 HydrophobicContact CG2-CD1 3.99Å; V110-L122 HydrophobicContact CG2-CG 4.35Å; V110-W202 HydrophobicContact CG1-CH2 4.19Å; V110-W202 HydrophobicContact CG1-CZ3 4.04Å
111	S	89.9	Confident	88.9	Confident	3 Å²	3	36.8 Å²	36.8	2%	0.021	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	152.6	172.6	59.7	0	0	0	0	110.8	T89 K91	T89-S111 PolarHBondContact N-O 3.49Å; T89-S111 PolarHBondContact O-N 2.92Å; T89-S111 PolarHBondContact OG1-O 3.38Å; T89-S111 PolarHBondContact OG1-OG 3.41Å; K91-S111 WeakPolarHBondContact CE-OG 3.23Å; K91-S111 WeakPolarHBondContact CG-OG 3.5Å
112	T	87.3	Confident	89.8	Confident	5 Å²	5	30.4 Å²	30.4	3%	0.031	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	137.1	179	-161.2	0	0	0	0	111.7	R85 E87 D88 A114 S115 E118 W202	R85-T112 PolarHBondContact NH2-OG1 3.15Å; E87-T112 PolarHBondContact O-OG1 2.92Å; D88-T112 WeakPolarHBondContact OD1-CA 3.38Å; D88-T112 WeakPolarHBondContact OD1-CB 3.23Å; D88-T112 PolarHBondContact OD1-OG1 3.32Å; T112-A114 HydrophobicContact CG2-CB 4.16Å; T112-A114 PolarHBondContact O-N 2.99Å; T112-A114 VanDerWaalsContact O-N 3.15Å; T112-S115 CarbonylContact O-C 3.57Å; T112-S115 VanDerWaalsContact O-C 3.23Å; T112-S115 PolarHBondContact O-N 3.4Å; T112-E118 HydrophobicContact CG2-CB 4.26Å; T112-W202 HydrophobicContact CG2-CD2 4.43Å; T112-W202 HydrophobicContact CG2-CZ2 3.97Å
113	L	80.1	Confident	90.2	Very high	105 Å²	105	26.1 Å²	26.1	55%	0.55	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-21.6	178.2	-69.3	173.4	0	0	0	112.6	E87 T89 S115	E87-L113 WeakPolarHBondContact O-CB 3.49Å; E87-L113 WeakPolarHBondContact O-CG 3.42Å; E87-L113 PolarHBondContact O-N 3.31Å; T89-L113 HydrophobicContact CG2-CD2 4.22Å; T89-L113 HydrophobicContact CG2-CG 4.29Å; L113-S115 VanDerWaalsContact C-N 3.27Å; L113-S115 PolarHBondContact O-N 2.99Å
114	A	78.6	Confident	90.5	Very high	94 Å²	94	23 Å²	23	78%	0.777	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-23.2	174.4	0	0	0	0	0	113.5	T112	T112-A114 HydrophobicContact CG2-CB 4.16Å; T112-A114 PolarHBondContact O-N 2.99Å; T112-A114 VanDerWaalsContact O-N 3.15Å
115	S	81.8	Confident	90.7	Very high	31 Å²	31	22.5 Å²	22.5	22%	0.217	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	97.8	-176.5	-179.5	0	0	0	0	110.4	T112 L113 Q117 E118	T112-S115 CarbonylContact O-C 3.57Å; T112-S115 VanDerWaalsContact O-C 3.23Å; T112-S115 PolarHBondContact O-N 3.4Å; L113-S115 VanDerWaalsContact C-N 3.27Å; L113-S115 PolarHBondContact O-N 2.99Å; S115-Q117 PolarHBondContact O-N 3.39Å; S115-E118 VanDerWaalsContact CB-OE1 3.26Å; S115-E118 WeakPolarHBondContact CB-OE1 3.45Å; S115-E118 PolarHBondContact O-N 3Å; S115-E118 PolarHBondContact OG-OE1 2.89Å; S115-E118 VanDerWaalsContact OG-OE1 3.14Å
116	K	74.9	Confident	90.7	Very high	104 Å²	104	22.1 Å²	22.1	45%	0.452	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	-9.2	176.5	-69.2	-159.5	177.3	-164.9	0	113.8	E43 R188	E43-K116 IonicContact OE1-NZ 2.6Å; E43-K116 IonicContact OE2-NZ 3.18Å; E43-K116 PolarHBondContact OE2-NZ 3.27Å; K116-R188 WeakPolarHBondContact O-CD 3.47Å; K116-R188 PolarHBondContact O-NE 2.99Å
117	Q	83.6	Confident	90.5	Very high	80 Å²	80	25.2 Å²	25.2	37%	0.374	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-24.3	173.6	-52.8	-60	-18.7	0	0	112.8	S115 A192	S115-Q117 PolarHBondContact O-N 3.39Å; Q117-A192 HydrophobicContact CB-CB 3.71Å; Q117-A192 HydrophobicContact CG-CB 4Å
118	E	91.3	Very high	90.1	Very high	30 Å²	30	27.2 Å²	27.2	14%	0.14	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	135.3	-177.7	-81.8	175.9	-117.4	0	0	111.7	T112 S115 L194 L200 W202	T112-E118 HydrophobicContact CG2-CB 4.26Å; S115-E118 VanDerWaalsContact CB-OE1 3.26Å; S115-E118 WeakPolarHBondContact CB-OE1 3.45Å; S115-E118 PolarHBondContact O-N 3Å; S115-E118 PolarHBondContact OG-OE1 2.89Å; S115-E118 VanDerWaalsContact OG-OE1 3.14Å; E118-L194 HydrophobicContact CB-CD1 4.48Å; E118-L194 HydrophobicContact CG-CD1 3.73Å; E118-L194 HydrophobicContact CG-CD2 4.07Å; E118-L200 HydrophobicContact CB-CD2 3.53Å; E118-L200 HydrophobicContact CG-CD2 3.65Å; E118-L200 HydrophobicContact CG-CG 4.22Å; E118-L200 WeakPolarHBondContact OE2-CA 3.43Å; E118-L200 PolarHBondContact OE2-N 3.24Å; E118-W202 HydrophobicContact CB-CZ2 4.25Å; E118-W202 PolarHBondContact OE2-NE1 2.82Å
119	S	93.9	Very high	89.7	Confident	1 Å²	1	30 Å²	30	1%	0.007	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	150.4	177.9	-63.6	0	0	0	0	111.4	V110 V142	V110-S119 CarbonylContact O-C 3.47Å; V110-S119 WeakPolarHBondContact O-CA 3.48Å; S119-V142 WeakPolarHBondContact O-CB 3.29Å; S119-V142 PolarHBondContact O-N 2.93Å; S119-V142 VanDerWaalsContact O-N 3.1Å
120	I	95.6	Very high	89.3	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	158.1	174.1	71	177.8	0	0	0	110	V110 L122 V139 P141 L200 W202 A203 Y206	V110-I120 HydrophobicContact CB-CG1 4.07Å; V110-I120 PolarHBondContact N-O 3.19Å; V110-I120 PolarHBondContact O-N 3.29Å; I120-L122 HydrophobicContact CD1-CD1 4.34Å; I120-L122 HydrophobicContact CD1-CD2 3.62Å; I120-L122 HydrophobicContact CD1-CG 3.88Å; I120-L122 HydrophobicContact CG1-CD2 4.31Å; I120-L122 HydrophobicContact CG1-CG 4.19Å; I120-V139 HydrophobicContact CD1-CG1 4.46Å; I120-P141 HydrophobicContact CG2-CB 4.49Å; I120-L200 HydrophobicContact CG2-CD2 3.99Å; I120-W202 HydrophobicContact CB-CH2 4.33Å; I120-W202 HydrophobicContact CD1-CE3 4.14Å; I120-W202 HydrophobicContact CD1-CH2 3.97Å; I120-W202 HydrophobicContact CD1-CZ3 3.49Å; I120-W202 VanDerWaalsContact CD1-CZ3 3.49Å; I120-W202 HydrophobicContact CG1-CH2 3.76Å; I120-W202 HydrophobicContact CG1-CZ3 3.8Å; I120-W202 HydrophobicContact CG2-CH2 3.87Å; I120-W202 HydrophobicContact CG2-CZ2 4.03Å; I120-W202 HydrophobicContact CG2-CZ3 4.29Å; I120-A203 HydrophobicContact CG2-CB 3.92Å; I120-Y206 HydrophobicContact CD1-CD2 3.59Å; I120-Y206 HydrophobicContact CD1-CE2 4.02Å
121	L	96.6	Very high	89	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	128.9	164.3	-59.1	178.7	0	0	0	108.9	L107 I108 V109 L140 V142 V158 F167 L182	L107-L121 HydrophobicContact CD1-CB 4.04Å; I108-L121 WeakPolarHBondContact O-CA 3.48Å; V109-L121 HydrophobicContact CB-CD2 4.25Å; V109-L121 HydrophobicContact CG1-CD2 4.31Å; V109-L121 HydrophobicContact CG2-CD2 3.72Å; L121-L140 HydrophobicContact CB-CB 4.31Å; L121-L140 HydrophobicContact CD1-CD2 4.45Å; L121-L140 PolarHBondContact N-O 3.37Å; L121-L140 PolarHBondContact O-N 3.45Å; L121-V142 HydrophobicContact CG-CG2 4.33Å; L121-V158 HydrophobicContact CD1-CG1 4.38Å; L121-V158 HydrophobicContact CD1-CG2 4.29Å; L121-F167 HydrophobicContact CD1-CE2 4.47Å; L121-L182 HydrophobicContact CD1-CD1 4.32Å; L121-L182 HydrophobicContact CD1-CD2 4.46Å; L121-L182 HydrophobicContact CD2-CD1 4.39Å
122	L	96.5	Very high	88.9	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	132.7	168.9	-62.6	179.5	0	0	0	109.5	L84 I108 V110 I120 M124 L138 V139 Y206	L84-L122 HydrophobicContact CD2-CD1 3.74Å; I108-L122 HydrophobicContact CD1-CB 4.28Å; I108-L122 HydrophobicContact CD1-CD1 4.39Å; I108-L122 HydrophobicContact CG1-CB 3.73Å; I108-L122 PolarHBondContact N-O 3.41Å; I108-L122 PolarHBondContact O-N 3.02Å; V110-L122 HydrophobicContact CG2-CD1 3.99Å; V110-L122 HydrophobicContact CG2-CG 4.35Å; I120-L122 HydrophobicContact CD1-CD1 4.34Å; I120-L122 HydrophobicContact CD1-CD2 3.62Å; I120-L122 HydrophobicContact CD1-CG 3.88Å; I120-L122 HydrophobicContact CG1-CD2 4.31Å; I120-L122 HydrophobicContact CG1-CG 4.19Å; L122-M124 HydrophobicContact CD1-CE 4.09Å; L122-L138 WeakPolarHBondContact CA-O 3.16Å; L122-V139 HydrophobicContact CD2-CB 4.15Å; L122-V139 HydrophobicContact CD2-CG1 3.91Å; L122-V139 HydrophobicContact CD2-CG2 3.72Å; L122-Y206 HydrophobicContact CD1-CD1 4.12Å; L122-Y206 HydrophobicContact CD1-CD2 4.27Å; L122-Y206 HydrophobicContact CD1-CE1 4.27Å; L122-Y206 HydrophobicContact CD1-CE2 4.42Å; L122-Y206 HydrophobicContact CD1-CG 4.11Å; L122-Y206 HydrophobicContact CD2-CD2 4.26Å; L122-Y206 HydrophobicContact CD2-CG 4.01Å
123	G	96.1	Very high	89	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	124.4	166.3	0	0	0	0	0	110.1	G137 L138 W220	G123-G137 PolarHBondContact O-N 3.14Å; G123-L138 PolarHBondContact N-O 2.86Å; G123-L138 PolarHBondContact O-N 2.97Å; G123-W220 VanDerWaalsContact C-CZ2 3.42Å
124	M	95.4	Very high	89.7	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	137.6	179	-71	-178.6	171.4	0	0	111.6	M80 Q83 L84 Y106 I108 L122 T135 I136	M80-M124 HydrophobicContact CB-SD 3.83Å; M80-M124 HydrophobicContact CG-SD 3.71Å; Q83-M124 HydrophobicContact CB-CE 3.81Å; Q83-M124 HydrophobicContact CG-CE 4.43Å; L84-M124 HydrophobicContact CD2-CE 4.13Å; Y106-M124 PolarHBondContact N-O 3.36Å; Y106-M124 PolarHBondContact O-N 2.66Å; I108-M124 HydrophobicContact CD1-CE 3.74Å; I108-M124 HydrophobicContact CD1-SD 3.66Å; I108-M124 HydrophobicContact CG1-SD 4.48Å; L122-M124 HydrophobicContact CD1-CE 4.09Å; M124-T135 CarbonylContact C-O 3.6Å; M124-T135 WeakPolarHBondContact CA-O 3.45Å; M124-I136 HydrophobicContact CE-CD1 4.28Å; M124-I136 HydrophobicContact CE-CG1 3.98Å; M124-I136 HydrophobicContact CG-CG1 4.35Å
125	D	95.1	Very high	90.5	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.016	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	134.1	-178.5	-63.4	-81.1	0	0	0	111.7	R105 C134 T135 S212 C216 W220	R105-D125 IonicContact CZ-OD1 3.91Å; R105-D125 VanDerWaalsContact CZ-OD1 3.26Å; R105-D125 IonicContact NE-OD1 2.77Å; R105-D125 PolarHBondContact NE-OD1 3.24Å; R105-D125 IonicContact NH2-OD1 2.67Å; R105-D125 PolarHBondContact NH2-OD1 3.47Å; D125-C134 WeakPolarHBondContact O-CA 3.24Å; D125-C134 VanDerWaalsContact O-CB 3.3Å; D125-C134 WeakPolarHBondContact O-CB 3.48Å; D125-T135 PolarHBondContact N-O 3.05Å; D125-T135 PolarHBondContact O-N 3.22Å; D125-S212 WeakPolarHBondContact OD2-CB 3.31Å; D125-S212 PolarHBondContact OD2-OG 3.39Å; D125-C216 HydrophobicContact CB-CB 4.36Å; D125-C216 PolarHBondContact OD1-SG 2.99Å; D125-C216 WeakPolarHBondContact OD2-CB 3.34Å; D125-W220 PolarHBondContact OD1-NE1 2.96Å; D125-W220 PolarHBondContact OD2-NE1 3.19Å
126	F	93.9	Very high	91.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	124.6	171.8	-71.5	-105.6	0	0	0	109.3	H76 A79 M80 R103 V104 Y106 S128 C134	H76-F126 HydrophobicContact CB-CD1 4.47Å; H76-F126 HydrophobicContact CB-CE1 3.75Å; H76-F126 HydrophobicContact CB-CE2 4.28Å; H76-F126 HydrophobicContact CB-CZ 3.64Å; H76-F126 AromaticContact CD2-CD1 3.44Å; H76-F126 VanDerWaalsContact CD2-CD1 3.44Å; H76-F126 WeakPolarHBondContact CD2-CD1 3.16Å; H76-F126 AromaticContact CD2-CE1 3.43Å; H76-F126 VanDerWaalsContact CD2-CE1 3.43Å; H76-F126 WeakPolarHBondContact CD2-CE1 3.38Å; H76-F126 AromaticContact CG-CD1 3.97Å; H76-F126 AromaticContact CG-CE1 3.72Å; H76-F126 AromaticContact NE2-CD1 3.87Å; H76-F126 WeakPolarHBondContact O-CZ 3.24Å; A79-F126 HydrophobicContact CB-CE1 3.87Å; A79-F126 HydrophobicContact CB-CZ 4.16Å; M80-F126 HydrophobicContact CE-CE2 3.8Å; M80-F126 HydrophobicContact CE-CZ 4.02Å; M80-F126 HydrophobicContact CG-CE2 4.32Å; M80-F126 HydrophobicContact CG-CZ 4.12Å; R103-F126 WeakPolarHBondContact CA-O 3.45Å; V104-F126 HydrophobicContact CB-CB 4.24Å; V104-F126 PolarHBondContact N-O 2.67Å; V104-F126 VanDerWaalsContact N-O 3.15Å; V104-F126 WeakPolarHBondContact O-CB 3.42Å; V104-F126 PolarHBondContact O-N 3.13Å; Y106-F126 AromaticContact CD2-CD2 3.73Å; Y106-F126 HydrophobicContact CD2-CD2 3.73Å; Y106-F126 AromaticContact CD2-CE2 3.58Å; Y106-F126 HydrophobicContact CD2-CE2 3.58Å; Y106-F126 AromaticContact CE2-CD2 3.96Å; Y106-F126 HydrophobicContact CE2-CD2 3.96Å; Y106-F126 AromaticContact CE2-CE2 3.93Å; Y106-F126 HydrophobicContact CE2-CE2 3.93Å; F126-S128 PolarHBondContact O-N 3.23Å; F126-S128 VanDerWaalsContact O-N 3.14Å; F126-C134 HydrophobicContact CD1-CB 3.94Å; F126-C134 HydrophobicContact CD2-CB 3.7Å; F126-C134 HydrophobicContact CE1-CB 3.68Å; F126-C134 HydrophobicContact CE2-CB 3.42Å; F126-C134 VanDerWaalsContact CE2-CB 3.42Å; F126-C134 HydrophobicContact CG-CB 3.94Å; F126-C134 HydrophobicContact CZ-CB 3.41Å; F126-C134 VanDerWaalsContact CZ-CB 3.41Å
127	P	90.3	Very high	92.1	Very high	72 Å²	72	31 Å²	31	47%	0.468	18%	0.176	S	C	.	.	S	Bend	trans	-59.1	-25.4	179.2	-27.6	35.5	0	0	0	114.8
128	S	88.8	Confident	92.6	Very high	43 Å²	43	27.7 Å²	27.7	30%	0.301	16%	0.16	S	C	.	.	S	Bend	trans	-155	162.5	170.4	71.7	0	0	0	0	111.6	V102 F126 E130 S131	V102-S128 WeakPolarHBondContact O-CA 3.25Å; F126-S128 PolarHBondContact O-N 3.23Å; F126-S128 VanDerWaalsContact O-N 3.14Å; S128-E130 PolarHBondContact O-N 3.4Å; S128-S131 VanDerWaalsContact O-CB 3.28Å; S128-S131 WeakPolarHBondContact O-CB 3.43Å; S128-S131 PolarHBondContact O-N 2.87Å
129	S	85.9	Confident	92.8	Very high	58 Å²	58	27.4 Å²	27.4	41%	0.406	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-0.8	176.4	67.5	0	0	0	0	115.8	T72 H76	T72-S129 WeakPolarHBondContact CG2-O 3.39Å; H76-S129 PolarHBondContact NE2-O 2.94Å
130	E	86.9	Confident	92.8	Very high	108 Å²	108	27.5 Å²	27.5	51%	0.505	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.2	2	175.6	-64.5	-66.8	155.3	0	0	111.8	R75 S128	R75-E130 IonicContact CZ-OE2 2.81Å; R75-E130 PolarHBondContact NH1-O 3.46Å; R75-E130 IonicContact NH1-OE2 2.72Å; R75-E130 PolarHBondContact NH1-OE2 2.9Å; R75-E130 IonicContact NH2-OE2 2.68Å; R75-E130 PolarHBondContact NH2-OE2 3.29Å; S128-E130 PolarHBondContact O-N 3.4Å
131	S	87.2	Confident	92.8	Very high	20 Å²	20	28.9 Å²	28.9	14%	0.14	17%	0.17	C	C	.	.			trans	-65.7	137.4	-176.4	-174.2	0	0	0	0	112	S128 H133	S128-S131 VanDerWaalsContact O-CB 3.28Å; S128-S131 WeakPolarHBondContact O-CB 3.43Å; S128-S131 PolarHBondContact O-N 2.87Å; S131-H133 VanDerWaalsContact C-N 3.32Å; S131-H133 PolarHBondContact OG-N 2.94Å; S131-H133 PolarHBondContact OG-O 3.17Å
132	T	87.4	Confident	92.7	Very high	103 Å²	103	28.9 Å²	28.9	63%	0.632	17%	0.17	S	C	*	.	S	Bend	trans	-91.1	6.9	171.1	55.6	0	0	0	0	112.7	R75 A79	R75-T132 HydrophobicContact CG-CG2 4.18Å; A79-T132 WeakPolarHBondContact CB-O 3.34Å
133	H	89.1	Confident	92.5	Very high	95 Å²	95	30.1 Å²	30.1	44%	0.44	18%	0.175	S	C	.	.			trans	-143.4	147.7	-176.3	-176.1	58.1	0	0	0	110.6	S131	S131-H133 VanDerWaalsContact C-N 3.32Å; S131-H133 PolarHBondContact OG-N 2.94Å; S131-H133 PolarHBondContact OG-O 3.17Å
134	C	94.2	Very high	92.2	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.187	C	C	.	.			trans	-139.2	157.2	179.1	66.5	0	0	0	0	111	D125 F126	D125-C134 WeakPolarHBondContact O-CA 3.24Å; D125-C134 VanDerWaalsContact O-CB 3.3Å; D125-C134 WeakPolarHBondContact O-CB 3.48Å; F126-C134 HydrophobicContact CD1-CB 3.94Å; F126-C134 HydrophobicContact CD2-CB 3.7Å; F126-C134 HydrophobicContact CE1-CB 3.68Å; F126-C134 HydrophobicContact CE2-CB 3.42Å; F126-C134 VanDerWaalsContact CE2-CB 3.42Å; F126-C134 HydrophobicContact CG-CB 3.94Å; F126-C134 HydrophobicContact CZ-CB 3.41Å; F126-C134 VanDerWaalsContact CZ-CB 3.41Å
135	T	95.1	Very high	92	Very high	30 Å²	30	35.6 Å²	35.6	18%	0.184	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	149.8	178	50.8	0	0	0	0	110.3	M124 D125 E211 S212	M124-T135 CarbonylContact C-O 3.6Å; M124-T135 WeakPolarHBondContact CA-O 3.45Å; D125-T135 PolarHBondContact N-O 3.05Å; D125-T135 PolarHBondContact O-N 3.22Å; T135-E211 HydrophobicContact CG2-CB 4.36Å; T135-S212 WeakPolarHBondContact CB-OG 3.34Å; T135-S212 PolarHBondContact O-OG 3.42Å; T135-S212 WeakPolarHBondContact OG1-CA 3.49Å; T135-S212 PolarHBondContact OG1-OG 3.35Å
136	I	96.4	Very high	91.8	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.01	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	127.9	172.4	-58.6	176	0	0	0	108.6	M124 V139 Y206 Q209 I210 E211 S212	M124-I136 HydrophobicContact CE-CD1 4.28Å; M124-I136 HydrophobicContact CE-CG1 3.98Å; M124-I136 HydrophobicContact CG-CG1 4.35Å; I136-V139 HydrophobicContact CG2-CG2 3.92Å; I136-Y206 HydrophobicContact CD1-CD1 3.63Å; I136-Y206 HydrophobicContact CD1-CE1 4.47Å; I136-Y206 HydrophobicContact CD1-CG 4.37Å; I136-Q209 HydrophobicContact CD1-CB 4.47Å; I136-I210 HydrophobicContact CG2-CG1 4.44Å; I136-I210 CarbonylContact O-C 3.54Å; I136-I210 WeakPolarHBondContact O-CA 3.29Å; I136-E211 PolarHBondContact O-N 3.39Å; I136-S212 PolarHBondContact O-N 3.18Å; I136-S212 VanDerWaalsContact O-N 3.08Å; I136-S212 PolarHBondContact O-OG 2.87Å
137	G	94	Very high	91.5	Very high	6 Å²	6	39.7 Å²	39.7	6%	0.062	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	-14.8	178.8	0	0	0	0	0	114.8	G123 S212 L217	G123-G137 PolarHBondContact O-N 3.14Å; G137-S212 WeakPolarHBondContact CA-OG 3.28Å; G137-S212 PolarHBondContact N-OG 3.41Å; G137-L217 WeakPolarHBondContact O-CD2 3.42Å
138	L	95	Very high	91.4	Very high	9 Å²	9	36.2 Å²	36.2	5%	0.047	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	144.5	174.5	179.3	65.8	0	0	0	110.8	L122 G123 R165 F167 W220	L122-L138 WeakPolarHBondContact CA-O 3.16Å; G123-L138 PolarHBondContact N-O 2.86Å; G123-L138 PolarHBondContact O-N 2.97Å; L138-R165 HydrophobicContact CD1-CG 4.23Å; L138-R165 HydrophobicContact CD2-CB 4.43Å; L138-R165 HydrophobicContact CD2-CG 4.26Å; L138-F167 HydrophobicContact CD2-CE1 3.58Å; L138-F167 HydrophobicContact CD2-CZ 3.71Å; L138-W220 HydrophobicContact CB-CB 4.25Å; L138-W220 HydrophobicContact CB-CD2 3.86Å; L138-W220 HydrophobicContact CB-CE3 4.03Å; L138-W220 HydrophobicContact CB-CG 4.01Å; L138-W220 HydrophobicContact CD2-CD2 4.38Å; L138-W220 HydrophobicContact CD2-CE3 3.73Å; L138-W220 HydrophobicContact CD2-CZ3 4.16Å
139	V	95.7	Very high	91.2	Very high	24 Å²	24	36.7 Å²	36.7	15%	0.145	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	119.8	167.5	-174.7	0	0	0	0	107.6	I120 L122 I136 A203 A207 I210	I120-V139 HydrophobicContact CD1-CG1 4.46Å; L122-V139 HydrophobicContact CD2-CB 4.15Å; L122-V139 HydrophobicContact CD2-CG1 3.91Å; L122-V139 HydrophobicContact CD2-CG2 3.72Å; I136-V139 HydrophobicContact CG2-CG2 3.92Å; V139-A203 HydrophobicContact CG1-CB 4.41Å; V139-A207 HydrophobicContact CB-CB 4.47Å; V139-A207 HydrophobicContact CG2-CB 4.46Å; V139-I210 HydrophobicContact CG2-CD1 4.16Å; V139-I210 HydrophobicContact CG2-CG1 4.15Å
140	L	94.5	Very high	90.7	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.021	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	106.5	179.1	-170.1	68.8	0	0	0	109.4	L121 V158 D163 R165	L121-L140 HydrophobicContact CB-CB 4.31Å; L121-L140 HydrophobicContact CD1-CD2 4.45Å; L121-L140 PolarHBondContact N-O 3.37Å; L121-L140 PolarHBondContact O-N 3.45Å; L140-V158 HydrophobicContact CD2-CB 4.04Å; L140-V158 HydrophobicContact CD2-CG1 3.86Å; L140-D163 HydrophobicContact CD1-CB 3.83Å; L140-R165 HydrophobicContact CD1-CG 4.36Å; L140-R165 HydrophobicContact CD2-CB 4.22Å; L140-R165 HydrophobicContact CD2-CG 4.02Å
141	P	94.6	Very high	89.9	Confident	28 Å²	28	29.6 Å²	29.6	18%	0.182	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	154.1	177.4	-19.8	32.1	0	0	0	112.4	I120 W143 S160 L200 A203	I120-P141 HydrophobicContact CG2-CB 4.49Å; P141-W143 HydrophobicContact CB-CD2 4.33Å; P141-W143 HydrophobicContact CB-CH2 4.49Å; P141-W143 HydrophobicContact CB-CZ2 3.76Å; P141-W143 HydrophobicContact CG-CZ2 4.03Å; P141-S160 WeakPolarHBondContact O-CB 3.49Å; P141-S160 PolarHBondContact O-OG 3.06Å; P141-L200 HydrophobicContact CB-CD1 3.67Å; P141-A203 HydrophobicContact CG-CB 4.22Å
142	V	94	Very high	88.7	Confident	2 Å²	2	29.7 Å²	29.7	1%	0.012	16%	0.164	C	C	.	.			trans	-106.2	100.7	173.1	-175.3	0	0	0	0	109.8	S119 L121 T146 L182 C185 C186 A189 L200	S119-V142 WeakPolarHBondContact O-CB 3.29Å; S119-V142 PolarHBondContact O-N 2.93Å; S119-V142 VanDerWaalsContact O-N 3.1Å; L121-V142 HydrophobicContact CG-CG2 4.33Å; V142-T146 HydrophobicContact CG1-CG2 4.4Å; V142-L182 HydrophobicContact CG2-CD1 4.14Å; V142-C185 HydrophobicContact CG1-CB 4.23Å; V142-C186 HydrophobicContact CG1-CB 4.46Å; V142-A189 HydrophobicContact CG1-CB 4.33Å; V142-A189 WeakPolarHBondContact O-CB 3.42Å; V142-L200 WeakPolarHBondContact O-CD1 3.5Å
143	W	93.2	Very high	87.7	Confident	26 Å²	26	27.5 Å²	27.5	10%	0.098	15%	0.149	C	C	.	.			trans	-92.2	170.7	178.6	-56.3	120.8	0	0	0	111.7	P141 D145 T146 L194 I195 P196 L200	P141-W143 HydrophobicContact CB-CD2 4.33Å; P141-W143 HydrophobicContact CB-CH2 4.49Å; P141-W143 HydrophobicContact CB-CZ2 3.76Å; P141-W143 HydrophobicContact CG-CZ2 4.03Å; W143-D145 WeakPolarHBondContact CB-OD1 3.49Å; W143-D145 PolarHBondContact O-N 3.35Å; W143-T146 PolarHBondContact N-OG1 2.86Å; W143-T146 WeakPolarHBondContact O-CB 3.19Å; W143-T146 PolarHBondContact O-N 2.96Å; W143-T146 PolarHBondContact O-OG1 3.33Å; W143-T146 VanDerWaalsContact O-OG1 3.14Å; W143-L194 HydrophobicContact CE3-CB 4.31Å; W143-I195 VanDerWaalsContact CE3-C 3.45Å; W143-I195 VanDerWaalsContact CZ3-O 3.32Å; W143-I195 WeakPolarHBondContact CZ3-O 3.47Å; W143-P196 HydrophobicContact CD2-CG 4Å; W143-P196 HydrophobicContact CG-CG 4.19Å; W143-P196 HydrophobicContact CZ2-CB 4.27Å; W143-P196 HydrophobicContact CZ2-CG 4.28Å; W143-L200 HydrophobicContact CD2-CD1 4.21Å; W143-L200 HydrophobicContact CE3-CD1 3.79Å; W143-L200 HydrophobicContact CE3-CG 4.49Å; W143-L200 HydrophobicContact CH2-CB 3.76Å; W143-L200 HydrophobicContact CH2-CD1 4.14Å; W143-L200 HydrophobicContact CH2-CG 4.36Å; W143-L200 HydrophobicContact CZ3-CB 3.88Å; W143-L200 HydrophobicContact CZ3-CD1 3.76Å; W143-L200 HydrophobicContact CZ3-CG 4.02Å
144	S	90.3	Very high	86.8	Confident	38 Å²	38	23.7 Å²	23.7	27%	0.266	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-16.3	174.2	63.9	0	0	0	0	113.8	V190 L194	S144-V190 VanDerWaalsContact O-CG2 3.29Å; S144-V190 WeakPolarHBondContact O-CG2 3.29Å; S144-L194 WeakPolarHBondContact CB-O 3.25Å; S144-L194 PolarHBondContact N-O 3.28Å; S144-L194 PolarHBondContact OG-O 3.39Å
145	D	89.4	Confident	86.3	Confident	76 Å²	76	23.8 Å²	23.8	41%	0.406	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-1.9	176.2	73.1	-9	0	0	0	113.7	W143 Q147	W143-D145 WeakPolarHBondContact CB-OD1 3.49Å; W143-D145 PolarHBondContact O-N 3.35Å; D145-Q147 WeakPolarHBondContact O-CG 3.45Å; D145-Q147 PolarHBondContact O-N 3.38Å
146	T	91.6	Very high	86	Confident	4 Å²	4	22.3 Å²	22.3	3%	0.025	13%	0.127	C	C	.	.			trans	-60.3	118.6	-175.7	-61.9	0	0	0	0	111.5	V142 W143 V158 T159 S160	V142-T146 HydrophobicContact CG1-CG2 4.4Å; W143-T146 PolarHBondContact N-OG1 2.86Å; W143-T146 WeakPolarHBondContact O-CB 3.19Å; W143-T146 PolarHBondContact O-N 2.96Å; W143-T146 PolarHBondContact O-OG1 3.33Å; W143-T146 VanDerWaalsContact O-OG1 3.14Å; T146-V158 HydrophobicContact CG2-CG1 3.59Å; T146-T159 CarbonylContact C-O 3.57Å; T146-T159 VanDerWaalsContact CA-O 3.29Å; T146-T159 WeakPolarHBondContact CA-O 3.3Å; T146-S160 PolarHBondContact OG1-OG 2.91Å
147	Q	88.3	Confident	85.6	Confident	85 Å²	85	22.5 Å²	22.5	40%	0.397	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	138.7	-179.3	-47.2	-168.2	5.9	0	0	110.1	D145 Y149 V158 T159	D145-Q147 WeakPolarHBondContact O-CG 3.45Å; D145-Q147 PolarHBondContact O-N 3.38Å; Q147-Y149 HydrophobicContact CB-CD2 4.26Å; Q147-Y149 HydrophobicContact CB-CE2 3.61Å; Q147-Y149 PolarHBondContact OE1-OH 2.95Å; Q147-V158 WeakPolarHBondContact O-CA 3.46Å; Q147-T159 PolarHBondContact N-O 2.9Å; Q147-T159 PolarHBondContact O-N 3.43Å
148	V	88.3	Confident	85.5	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	125.5	176.8	-172.9	0	0	0	0	108.7	F156 S157 V158 L179 L182 N549 L550	V148-F156 HydrophobicContact CG1-CD2 3.96Å; V148-S157 WeakPolarHBondContact CA-O 3.46Å; V148-V158 HydrophobicContact CG1-CG2 4.4Å; V148-V158 HydrophobicContact CG2-CG1 4.43Å; V148-V158 HydrophobicContact CG2-CG2 4.3Å; V148-L179 HydrophobicContact CG1-CD2 3.73Å; V148-L182 HydrophobicContact CG1-CD2 4.27Å; V148-L182 HydrophobicContact CG2-CD2 3.62Å; V148-L182 HydrophobicContact CG2-CG 4Å; V148-N549 CarbonylContact O-C 3.08Å; V148-N549 WeakPolarHBondContact O-CA 3.47Å; V148-L550 HydrophobicContact CB-CB 3.79Å; V148-L550 HydrophobicContact CB-CD2 3.8Å; V148-L550 HydrophobicContact CB-CG 4.47Å; V148-L550 HydrophobicContact CG1-CB 4.2Å; V148-L550 HydrophobicContact CG1-CD2 3.95Å; V148-L550 HydrophobicContact CG2-CD2 4.07Å; V148-L550 PolarHBondContact O-N 3.32Å
149	Y	83.8	Confident	85.3	Confident	52 Å²	52	23.5 Å²	23.5	20%	0.204	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	143	179.5	-68	-85.9	0	0	0	110.3	Q147 D151 F156 S157 R547 N549	Q147-Y149 HydrophobicContact CB-CD2 4.26Å; Q147-Y149 HydrophobicContact CB-CE2 3.61Å; Q147-Y149 PolarHBondContact OE1-OH 2.95Å; Y149-D151 PolarHBondContact O-N 3.4Å; Y149-F156 WeakPolarHBondContact O-CA 3.32Å; Y149-S157 PolarHBondContact N-O 3.27Å; Y149-S157 PolarHBondContact O-N 2.98Å; Y149-S157 PolarHBondContact O-OG 3.16Å; Y149-S157 VanDerWaalsContact O-OG 3.05Å; Y149-R547 HydrophobicContact CD1-CB 4.24Å; Y149-N549 HydrophobicContact CD1-CB 4.01Å; Y149-N549 HydrophobicContact CE1-CB 3.64Å; Y149-N549 PolarHBondContact OH-ND2 3.19Å
150	L	76.4	Confident	85	Confident	8 Å²	8	22.5 Å²	22.5	4%	0.042	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	130.6	171.5	-49.5	-173.9	0	0	0	109.3	L179 L293 M548	L150-L179 HydrophobicContact CD2-CD1 4.09Å; L150-L293 HydrophobicContact CD1-CD1 3.71Å; L150-L293 HydrophobicContact CD1-CG 4.23Å; L150-L293 HydrophobicContact CD2-CD1 3.41Å; L150-L293 VanDerWaalsContact CD2-CD1 3.41Å; L150-L293 HydrophobicContact CG-CD1 4.21Å; L150-M548 HydrophobicContact CD1-CE 3.69Å; L150-M548 PolarHBondContact N-O 3.36Å
151	D	69.4	Low	84.5	Confident	10 Å²	10	24.4 Å²	24.4	5%	0.053	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	119.3	170.1	-154.1	21.8	0	0	0	106	Y149 D153 G154 G155 N166 R547	Y149-D151 PolarHBondContact O-N 3.4Å; D151-D153 PolarHBondContact O-N 2.82Å; D151-G154 PolarHBondContact O-N 3.14Å; D151-G155 PolarHBondContact N-O 2.84Å; D151-G155 PolarHBondContact O-N 2.95Å; D151-N166 PolarHBondContact OD2-ND2 3.11Å; D151-R547 IonicContact OD1-CZ 3.92Å; D151-R547 IonicContact OD1-NH1 3.21Å; D151-R547 PolarHBondContact OD1-NH1 3.38Å; D151-R547 IonicContact OD1-NH2 2.65Å; D151-R547 PolarHBondContact OD1-NH2 2.91Å
152	G	62.6	Low	83.9	Confident	22 Å²	22	32.3 Å²	32.3	23%	0.227	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	32.7	-164.6	0	0	0	0	0	114.4	K285 D289	G152-K285 WeakPolarHBondContact O-CD 3.46Å; G152-K285 WeakPolarHBondContact O-CE 3.41Å; G152-K285 WeakPolarHBondContact O-CG 3.08Å; G152-K285 PolarHBondContact O-NZ 3.31Å; G152-D289 VanDerWaalsContact C-OD2 3.24Å; G152-D289 WeakPolarHBondContact CA-OD2 3.4Å
153	D	66.4	Low	83.6	Confident	56 Å²	56	35.9 Å²	35.9	30%	0.299	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.7	9.7	176	66.3	4.7	0	0	0	113.1	D151 G155 K168 N224	D151-D153 PolarHBondContact O-N 2.82Å; D153-G155 PolarHBondContact OD1-N 2.8Å; D153-K168 VanDerWaalsContact OD1-CE 3.22Å; D153-K168 WeakPolarHBondContact OD1-CE 3.5Å; D153-K168 IonicContact OD1-NZ 3.77Å; D153-K168 WeakPolarHBondContact OD2-CE 3.39Å; D153-K168 IonicContact OD2-NZ 3.43Å; D153-K168 PolarHBondContact OD2-NZ 3.16Å; D153-N224 PolarHBondContact OD2-ND2 3.31Å
154	G	69.9	Low	83.4	Confident	15 Å²	15	37 Å²	37	16%	0.155	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.5	10.7	-175.3	0	0	0	0	0	114.2	D151 S266	D151-G154 PolarHBondContact O-N 3.14Å; G154-S266 VanDerWaalsContact CA-CB 3.5Å
155	G	83.6	Confident	83.4	Confident	2 Å²	2	37.3 Å²	37.3	2%	0.021	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	-174.1	174.8	0	0	0	0	0	114	D151 D153 F167	D151-G155 PolarHBondContact N-O 2.84Å; D151-G155 PolarHBondContact O-N 2.95Å; D153-G155 PolarHBondContact OD1-N 2.8Å; G155-F167 CarbonylContact C-O 3.53Å; G155-F167 WeakPolarHBondContact CA-O 3.27Å
156	F	88	Confident	83.4	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	155	166.5	67	-80.2	0	0	0	109.9	L107 V148 Y149 V158 N166 F167 P169 M175 I178 L179 L182	L107-F156 HydrophobicContact CD2-CZ 3.93Å; V148-F156 HydrophobicContact CG1-CD2 3.96Å; Y149-F156 WeakPolarHBondContact O-CA 3.32Å; F156-V158 HydrophobicContact CD2-CG2 3.73Å; F156-V158 HydrophobicContact CE2-CG2 3.57Å; F156-N166 CarbonylContact O-C 3.5Å; F156-N166 WeakPolarHBondContact O-CA 3.36Å; F156-F167 HydrophobicContact CD1-CB 4.32Å; F156-F167 HydrophobicContact CD2-CD2 4.19Å; F156-F167 HydrophobicContact CE1-CB 3.86Å; F156-F167 HydrophobicContact CE2-CB 4.4Å; F156-F167 AromaticContact CE2-CD2 3.65Å; F156-F167 HydrophobicContact CE2-CD2 3.65Å; F156-F167 HydrophobicContact CE2-CE2 4.42Å; F156-F167 HydrophobicContact CE2-CG 4.45Å; F156-F167 HydrophobicContact CZ-CB 3.91Å; F156-F167 AromaticContact CZ-CD2 3.86Å; F156-F167 HydrophobicContact CZ-CD2 3.86Å; F156-F167 HydrophobicContact CZ-CG 4.25Å; F156-F167 PolarHBondContact N-O 2.83Å; F156-F167 PolarHBondContact O-N 3.33Å; F156-P169 HydrophobicContact CD1-CG 4.15Å; F156-P169 HydrophobicContact CE1-CG 3.76Å; F156-M175 HydrophobicContact CD1-CG 4.3Å; F156-I178 HydrophobicContact CD1-CG2 4.46Å; F156-I178 HydrophobicContact CE1-CG2 3.52Å; F156-I178 HydrophobicContact CZ-CD1 3.98Å; F156-I178 HydrophobicContact CZ-CG1 4.07Å; F156-I178 HydrophobicContact CZ-CG2 3.66Å; F156-L179 HydrophobicContact CB-CD2 4.06Å; F156-L179 HydrophobicContact CD1-CD2 4.4Å; F156-L179 HydrophobicContact CD2-CD2 3.96Å; F156-L179 HydrophobicContact CG-CD2 3.89Å; F156-L182 HydrophobicContact CE2-CD2 4.06Å
157	S	89.2	Confident	83.3	Confident	5 Å²	5	35.4 Å²	35.4	4%	0.035	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	134.7	177.2	50.6	0	0	0	0	109.3	V148 Y149 R165 N166	V148-S157 WeakPolarHBondContact CA-O 3.46Å; Y149-S157 PolarHBondContact N-O 3.27Å; Y149-S157 PolarHBondContact O-N 2.98Å; Y149-S157 PolarHBondContact O-OG 3.16Å; Y149-S157 VanDerWaalsContact O-OG 3.05Å; S157-R165 CarbonylContact C-O 3.6Å; S157-R165 VanDerWaalsContact CA-O 3.31Å; S157-R165 WeakPolarHBondContact CA-O 3.29Å; S157-N166 WeakPolarHBondContact CB-OD1 3.5Å
158	V	92.1	Very high	83.4	Confident	1 Å²	1	34 Å²	34	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	120	175.2	-175.1	0	0	0	0	107.7	L121 L140 T146 Q147 V148 F156 T164 R165 F167 L182	L121-V158 HydrophobicContact CD1-CG1 4.38Å; L121-V158 HydrophobicContact CD1-CG2 4.29Å; L140-V158 HydrophobicContact CD2-CB 4.04Å; L140-V158 HydrophobicContact CD2-CG1 3.86Å; T146-V158 HydrophobicContact CG2-CG1 3.59Å; Q147-V158 WeakPolarHBondContact O-CA 3.46Å; V148-V158 HydrophobicContact CG1-CG2 4.4Å; V148-V158 HydrophobicContact CG2-CG1 4.43Å; V148-V158 HydrophobicContact CG2-CG2 4.3Å; F156-V158 HydrophobicContact CD2-CG2 3.73Å; F156-V158 HydrophobicContact CE2-CG2 3.57Å; V158-T164 WeakPolarHBondContact O-CA 3.01Å; V158-R165 PolarHBondContact N-O 3.26Å; V158-R165 PolarHBondContact O-N 2.9Å; V158-F167 HydrophobicContact CB-CE2 4.04Å; V158-F167 HydrophobicContact CG2-CD2 4.03Å; V158-F167 HydrophobicContact CG2-CE2 3.73Å; V158-L182 HydrophobicContact CG2-CD2 3.71Å
159	T	91	Very high	83.5	Confident	35 Å²	35	34.3 Å²	34.3	22%	0.215	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	121.3	170.6	-57.4	0	0	0	0	107.9	T146 Q147 D163 T164	T146-T159 CarbonylContact C-O 3.57Å; T146-T159 VanDerWaalsContact CA-O 3.29Å; T146-T159 WeakPolarHBondContact CA-O 3.3Å; Q147-T159 PolarHBondContact N-O 2.9Å; Q147-T159 PolarHBondContact O-N 3.43Å; T159-D163 CarbonylContact C-O 3.6Å; T159-D163 VanDerWaalsContact CA-O 3.28Å; T159-D163 WeakPolarHBondContact CA-O 3.32Å; T159-T164 WeakPolarHBondContact CG2-OG1 3.41Å; T159-T164 PolarHBondContact OG1-OG1 3.21Å
160	S	89.5	Confident	83.7	Confident	4 Å²	4	33.9 Å²	33.9	3%	0.028	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	122	177.9	-161.8	0	0	0	0	109.8	P141 T146 E162 D163	P141-S160 WeakPolarHBondContact O-CB 3.49Å; P141-S160 PolarHBondContact O-OG 3.06Å; T146-S160 PolarHBondContact OG1-OG 2.91Å; S160-E162 PolarHBondContact O-N 2.82Å; S160-E162 VanDerWaalsContact O-N 3.15Å; S160-D163 PolarHBondContact N-O 3.28Å; S160-D163 PolarHBondContact O-N 3.35Å; S160-D163 VanDerWaalsContact O-N 3.07Å
161	A	84.1	Confident	84.2	Confident	43 Å²	43	33.7 Å²	33.7	36%	0.355	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.7	-115	-159.6	0	0	0	0	0	111.3	P196	A161-P196 HydrophobicContact CB-CG 4.18Å
162	E	81.9	Confident	84.9	Confident	194 Å²	194	33.4 Å²	33.4	91%	0.907	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-10.7	179.6	-59.4	-172.3	170.1	0	0	113.7	S160	S160-E162 PolarHBondContact O-N 2.82Å; S160-E162 VanDerWaalsContact O-N 3.15Å
163	D	86.3	Confident	85.7	Confident	77 Å²	77	32.6 Å²	32.6	41%	0.412	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	123.6	-176.7	-101.2	-71	0	0	0	111.7	L140 T159 S160 R165	L140-D163 HydrophobicContact CD1-CB 3.83Å; T159-D163 CarbonylContact C-O 3.6Å; T159-D163 VanDerWaalsContact CA-O 3.28Å; T159-D163 WeakPolarHBondContact CA-O 3.32Å; S160-D163 PolarHBondContact N-O 3.28Å; S160-D163 PolarHBondContact O-N 3.35Å; S160-D163 VanDerWaalsContact O-N 3.07Å; D163-R165 IonicContact OD1-CZ 2.86Å; D163-R165 IonicContact OD1-NE 3.17Å; D163-R165 PolarHBondContact OD1-NE 2.96Å; D163-R165 IonicContact OD1-NH2 2.64Å; D163-R165 PolarHBondContact OD1-NH2 2.88Å
164	T	89.1	Confident	86.5	Confident	50 Å²	50	29.9 Å²	29.9	31%	0.307	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	129.2	169.4	-59.2	0	0	0	0	110.9	V158 T159	V158-T164 WeakPolarHBondContact O-CA 3.01Å; T159-T164 WeakPolarHBondContact CG2-OG1 3.41Å; T159-T164 PolarHBondContact OG1-OG1 3.21Å
165	R	90	Very high	87.3	Confident	45 Å²	45	29.5 Å²	29.5	17%	0.17	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	135.4	-178	-55.8	-64.2	170.7	148.9	-5.3	110.1	L138 L140 S157 V158 D163 F167 W220	L138-R165 HydrophobicContact CD1-CG 4.23Å; L138-R165 HydrophobicContact CD2-CB 4.43Å; L138-R165 HydrophobicContact CD2-CG 4.26Å; L140-R165 HydrophobicContact CD1-CG 4.36Å; L140-R165 HydrophobicContact CD2-CB 4.22Å; L140-R165 HydrophobicContact CD2-CG 4.02Å; S157-R165 CarbonylContact C-O 3.6Å; S157-R165 VanDerWaalsContact CA-O 3.31Å; S157-R165 WeakPolarHBondContact CA-O 3.29Å; V158-R165 PolarHBondContact N-O 3.26Å; V158-R165 PolarHBondContact O-N 2.9Å; D163-R165 IonicContact OD1-CZ 2.86Å; D163-R165 IonicContact OD1-NE 3.17Å; D163-R165 PolarHBondContact OD1-NE 2.96Å; D163-R165 IonicContact OD1-NH2 2.64Å; D163-R165 PolarHBondContact OD1-NH2 2.88Å; R165-F167 HydrophobicContact CB-CE1 4.14Å; R165-F167 HydrophobicContact CB-CE2 4Å; R165-F167 HydrophobicContact CB-CZ 3.56Å; R165-W220 WeakPolarHBondContact CD-O 3.18Å; R165-W220 PolarHBondContact NH1-O 3.2Å
166	N	89.1	Confident	87.2	Confident	36 Å²	36	30 Å²	30	19%	0.193	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	140.5	-178.3	-59.4	20.5	0	0	0	109.7	D151 F156 S157	D151-N166 PolarHBondContact OD2-ND2 3.11Å; F156-N166 CarbonylContact O-C 3.5Å; F156-N166 WeakPolarHBondContact O-CA 3.36Å; S157-N166 WeakPolarHBondContact CB-OD1 3.5Å
167	F	91.3	Very high	86.8	Confident	4 Å²	4	30 Å²	30	2%	0.018	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	139.5	-173.6	-53.1	-66.1	0	0	0	110.8	L96 L107 L121 L138 G155 F156 V158 R165 W220	L96-F167 HydrophobicContact CD1-CB 4.22Å; L96-F167 HydrophobicContact CD1-CD1 3.92Å; L96-F167 HydrophobicContact CD2-CB 4.34Å; L107-F167 HydrophobicContact CD1-CD1 4.41Å; L107-F167 HydrophobicContact CD1-CE1 3.96Å; L107-F167 HydrophobicContact CD1-CZ 4.09Å; L107-F167 HydrophobicContact CD2-CB 4.04Å; L107-F167 HydrophobicContact CD2-CD1 3.7Å; L107-F167 HydrophobicContact CD2-CD2 3.72Å; L107-F167 HydrophobicContact CD2-CE1 3.99Å; L107-F167 HydrophobicContact CD2-CE2 4Å; L107-F167 HydrophobicContact CD2-CG 3.54Å; L107-F167 HydrophobicContact CD2-CZ 4.12Å; L121-F167 HydrophobicContact CD1-CE2 4.47Å; L138-F167 HydrophobicContact CD2-CE1 3.58Å; L138-F167 HydrophobicContact CD2-CZ 3.71Å; G155-F167 CarbonylContact C-O 3.53Å; G155-F167 WeakPolarHBondContact CA-O 3.27Å; F156-F167 HydrophobicContact CD1-CB 4.32Å; F156-F167 HydrophobicContact CD2-CD2 4.19Å; F156-F167 HydrophobicContact CE1-CB 3.86Å; F156-F167 HydrophobicContact CE2-CB 4.4Å; F156-F167 AromaticContact CE2-CD2 3.65Å; F156-F167 HydrophobicContact CE2-CD2 3.65Å; F156-F167 HydrophobicContact CE2-CE2 4.42Å; F156-F167 HydrophobicContact CE2-CG 4.45Å; F156-F167 HydrophobicContact CZ-CB 3.91Å; F156-F167 AromaticContact CZ-CD2 3.86Å; F156-F167 HydrophobicContact CZ-CD2 3.86Å; F156-F167 HydrophobicContact CZ-CG 4.25Å; F156-F167 PolarHBondContact N-O 2.83Å; F156-F167 PolarHBondContact O-N 3.33Å; V158-F167 HydrophobicContact CB-CE2 4.04Å; V158-F167 HydrophobicContact CG2-CD2 4.03Å; V158-F167 HydrophobicContact CG2-CE2 3.73Å; R165-F167 HydrophobicContact CB-CE1 4.14Å; R165-F167 HydrophobicContact CB-CE2 4Å; R165-F167 HydrophobicContact CB-CZ 3.56Å; F167-W220 HydrophobicContact CD1-CE3 4.5Å; F167-W220 HydrophobicContact CD1-CZ3 4.04Å; F167-W220 HydrophobicContact CE1-CE3 4.08Å; F167-W220 AromaticContact CE1-CZ3 3.81Å; F167-W220 HydrophobicContact CE1-CZ3 3.81Å
168	K	89.9	Confident	86.7	Confident	55 Å²	55	29.8 Å²	29.8	24%	0.239	16%	0.157	C	C	.	.			trans	-123.1	96.9	-179.4	-70.6	-177.3	175.4	178.4	0	110.5	L96 E97 D153 N224	L96-K168 CarbonylContact C-O 3.6Å; L96-K168 WeakPolarHBondContact CA-O 3.06Å; L96-K168 WeakPolarHBondContact CB-O 3.17Å; E97-K168 HydrophobicContact CB-CB 4.07Å; E97-K168 HydrophobicContact CG-CB 4.26Å; E97-K168 PolarHBondContact N-O 3.47Å; D153-K168 VanDerWaalsContact OD1-CE 3.22Å; D153-K168 WeakPolarHBondContact OD1-CE 3.5Å; D153-K168 IonicContact OD1-NZ 3.77Å; D153-K168 WeakPolarHBondContact OD2-CE 3.39Å; D153-K168 IonicContact OD2-NZ 3.43Å; D153-K168 PolarHBondContact OD2-NZ 3.16Å; K168-N224 WeakPolarHBondContact CE-ND2 3.39Å; K168-N224 PolarHBondContact NZ-ND2 3.03Å
169	P	90.1	Very high	86.3	Confident	6 Å²	6	29.7 Å²	29.7	4%	0.039	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-66.3	147.8	177.2	-23.6	37.9	0	0	0	111.8	L96 F156 S171 T174 M175 I178	L96-P169 HydrophobicContact CD2-CG 4.35Å; F156-P169 HydrophobicContact CD1-CG 4.15Å; F156-P169 HydrophobicContact CE1-CG 3.76Å; P169-S171 PolarHBondContact O-N 3.07Å; P169-S171 VanDerWaalsContact O-N 3.11Å; P169-T174 VanDerWaalsContact CB-OG1 3.27Å; P169-T174 WeakPolarHBondContact CB-OG1 3.35Å; P169-M175 HydrophobicContact CB-CB 3.98Å; P169-M175 HydrophobicContact CG-CB 3.76Å; P169-M175 HydrophobicContact CG-CG 4.01Å; P169-I178 HydrophobicContact CG-CG2 4.45Å
170	V	88.7	Confident	85.6	Confident	44 Å²	44	30.5 Å²	30.5	27%	0.267	16%	0.158	S	C	.	.	S	Bend	trans	-67.7	-8.2	-176.9	-65.1	0	0	0	0	115	E95 T174 T265	E95-V170 HydrophobicContact CB-CG1 4.13Å; E95-V170 HydrophobicContact CB-CG2 3.97Å; E95-V170 HydrophobicContact CG-CG1 4.17Å; E95-V170 PolarHBondContact O-N 2.84Å; E95-V170 VanDerWaalsContact O-N 3.16Å; V170-T174 HydrophobicContact CG2-CG2 4.15Å; V170-T174 PolarHBondContact N-OG1 3.45Å; V170-T265 WeakPolarHBondContact O-CG2 3.24Å
171	S	87.1	Confident	85.2	Confident	3 Å²	3	31.7 Å²	31.7	2%	0.021	17%	0.165	C	C	.	.	S	Bend	trans	-158.1	165.5	-180	67.9	0	0	0	0	112.9	P169 Q173 T174 M175 D262 L264	P169-S171 PolarHBondContact O-N 3.07Å; P169-S171 VanDerWaalsContact O-N 3.11Å; S171-Q173 VanDerWaalsContact C-N 3.34Å; S171-Q173 PolarHBondContact O-N 3.26Å; S171-T174 PolarHBondContact N-OG1 3.4Å; S171-T174 PolarHBondContact O-N 3.46Å; S171-T174 PolarHBondContact O-OG1 3.39Å; S171-T174 VanDerWaalsContact OG-CG2 3.25Å; S171-T174 WeakPolarHBondContact OG-CG2 3.31Å; S171-T174 PolarHBondContact OG-N 3.27Å; S171-T174 VanDerWaalsContact OG-N 3.15Å; S171-T174 PolarHBondContact OG-OG1 3.07Å; S171-M175 PolarHBondContact O-N 3.43Å; S171-M175 VanDerWaalsContact O-N 3.1Å; S171-D262 WeakPolarHBondContact CB-O 3.47Å; S171-L264 CarbonylContact C-O 3.52Å; S171-L264 WeakPolarHBondContact CA-O 3.4Å
172	M	83.3	Confident	85.3	Confident	4 Å²	4	29.7 Å²	29.7	2%	0.02	15%	0.148	C	C	.	.	H	α-helix	trans	-61.3	-42.2	173.5	-73	-49.9	-41.9	0	0	112	M175 W176 L264 I292 L293 M296	M172-M175 HydrophobicContact CE-CE 3.56Å; M172-M175 PolarHBondContact O-N 2.89Å; M172-M175 HydrophobicContact SD-CE 4.42Å; M172-W176 PolarHBondContact O-N 3.18Å; M172-L264 HydrophobicContact CG-CB 4.37Å; M172-L264 HydrophobicContact CG-CD2 4.3Å; M172-L264 HydrophobicContact CG-CG 4.2Å; M172-L264 WeakPolarHBondContact CG-O 3.46Å; M172-L264 PolarHBondContact N-O 3.5Å; M172-I292 HydrophobicContact CE-CG2 3.15Å; M172-I292 HydrophobicContact SD-CG2 4.02Å; M172-L293 HydrophobicContact CE-CD2 4.36Å; M172-M296 HydrophobicContact CB-CE 4.29Å; M172-M296 HydrophobicContact CB-SD 4.17Å; M172-M296 HydrophobicContact CE-SD 3.52Å; M172-M296 VanDerWaalsContact CE-SD 3.52Å; M172-M296 WeakPolarHBondContact O-CE 3.43Å
173	Q	78.6	Confident	85.3	Confident	5 Å²	5	22 Å²	22	2%	0.023	11%	0.113	C	C	.	.	H	α-helix	trans	-64	-41.7	178.5	-169.6	64.2	29.3	0	0	111.9	V35 S171 M175 W176 S177 L261 D262	V35-Q173 HydrophobicContact CG1-CB 4.43Å; V35-Q173 HydrophobicContact CG1-CG 3.74Å; S171-Q173 VanDerWaalsContact C-N 3.34Å; S171-Q173 PolarHBondContact O-N 3.26Å; Q173-M175 VanDerWaalsContact C-N 3.33Å; Q173-M175 PolarHBondContact O-N 3.48Å; Q173-W176 PolarHBondContact O-N 2.88Å; Q173-S177 PolarHBondContact O-N 2.88Å; Q173-S177 PolarHBondContact O-OG 2.84Å; Q173-L261 HydrophobicContact CB-CB 4.33Å; Q173-L261 WeakPolarHBondContact CB-O 3.48Å; Q173-L261 PolarHBondContact N-O 2.9Å; Q173-L261 VanDerWaalsContact N-O 3.14Å; Q173-D262 WeakPolarHBondContact CG-OD1 3.29Å
174	T	83.3	Confident	84.9	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-65	-36.3	177.1	53.1	0	0	0	0	112.1	K36 G37 A38 P169 V170 S171 I178	K36-T174 VanDerWaalsContact O-CG2 3.28Å; K36-T174 WeakPolarHBondContact O-CG2 3.43Å; G37-T174 VanDerWaalsContact O-CG2 3.25Å; G37-T174 WeakPolarHBondContact O-CG2 3.44Å; A38-T174 HydrophobicContact CB-CG2 3.84Å; P169-T174 VanDerWaalsContact CB-OG1 3.27Å; P169-T174 WeakPolarHBondContact CB-OG1 3.35Å; V170-T174 HydrophobicContact CG2-CG2 4.15Å; V170-T174 PolarHBondContact N-OG1 3.45Å; S171-T174 PolarHBondContact N-OG1 3.4Å; S171-T174 PolarHBondContact O-N 3.46Å; S171-T174 PolarHBondContact O-OG1 3.39Å; S171-T174 VanDerWaalsContact OG-CG2 3.25Å; S171-T174 WeakPolarHBondContact OG-CG2 3.31Å; S171-T174 PolarHBondContact OG-N 3.27Å; S171-T174 VanDerWaalsContact OG-N 3.15Å; S171-T174 PolarHBondContact OG-OG1 3.07Å; T174-I178 WeakPolarHBondContact O-CG2 3.49Å; T174-I178 PolarHBondContact O-N 3.32Å
175	M	86.6	Confident	84.7	Confident	7 Å²	7	17 Å²	17	3%	0.034	9%	0.088	C	C	.	.	H	α-helix	trans	-65.8	-42.6	173.3	-169	168.8	82.2	0	0	113	F156 P169 S171 M172 Q173 I178 L179 L293	F156-M175 HydrophobicContact CD1-CG 4.3Å; P169-M175 HydrophobicContact CB-CB 3.98Å; P169-M175 HydrophobicContact CG-CB 3.76Å; P169-M175 HydrophobicContact CG-CG 4.01Å; S171-M175 PolarHBondContact O-N 3.43Å; S171-M175 VanDerWaalsContact O-N 3.1Å; M172-M175 HydrophobicContact CE-CE 3.56Å; M172-M175 PolarHBondContact O-N 2.89Å; M172-M175 HydrophobicContact SD-CE 4.42Å; Q173-M175 VanDerWaalsContact C-N 3.33Å; Q173-M175 PolarHBondContact O-N 3.48Å; M175-I178 WeakPolarHBondContact O-CG2 3.28Å; M175-L179 HydrophobicContact CG-CD1 3.92Å; M175-L179 HydrophobicContact CG-CG 4.47Å; M175-L179 WeakPolarHBondContact O-CB 3.42Å; M175-L179 VanDerWaalsContact O-CG 3.26Å; M175-L179 WeakPolarHBondContact O-CG 3.28Å; M175-L179 PolarHBondContact O-N 2.64Å; M175-L179 VanDerWaalsContact O-N 3.12Å; M175-L293 HydrophobicContact CE-CD1 4.47Å; M175-L293 HydrophobicContact CE-CD2 3.77Å; M175-L293 HydrophobicContact CE-CG 4.24Å
176	W	81.5	Confident	84.4	Confident	11 Å²	11	14.9 Å²	14.9	4%	0.042	8%	0.081	C	C	.	.	H	α-helix	trans	-63.7	-48.7	177.2	-176.2	-118.5	0	0	0	112	M172 Q173 I178 L179 Q180 L293 M296 A297 D300 M554	M172-W176 PolarHBondContact O-N 3.18Å; Q173-W176 PolarHBondContact O-N 2.88Å; W176-I178 VanDerWaalsContact C-N 3.34Å; W176-I178 PolarHBondContact O-N 3.1Å; W176-L179 PolarHBondContact O-N 2.85Å; W176-Q180 HydrophobicContact CD2-CG 4.2Å; W176-Q180 HydrophobicContact CZ2-CG 4.02Å; W176-Q180 VanDerWaalsContact NE1-CD 3.25Å; W176-Q180 WeakPolarHBondContact O-CG 3.24Å; W176-Q180 PolarHBondContact O-N 3.23Å; W176-L293 HydrophobicContact CE3-CD2 4.07Å; W176-M296 HydrophobicContact CB-CE 3.44Å; W176-M296 VanDerWaalsContact CB-CE 3.44Å; W176-M296 HydrophobicContact CB-SD 3.88Å; W176-M296 HydrophobicContact CD2-CB 4.03Å; W176-M296 HydrophobicContact CE3-CB 4.11Å; W176-M296 HydrophobicContact CG-CB 4.36Å; W176-M296 HydrophobicContact CG-CE 3.87Å; W176-M296 HydrophobicContact CG-SD 4.37Å; W176-A297 HydrophobicContact CH2-CB 3.53Å; W176-A297 HydrophobicContact CZ2-CB 4.1Å; W176-A297 HydrophobicContact CZ3-CB 4.25Å; W176-D300 HydrophobicContact CZ2-CB 4.35Å; W176-D300 PolarHBondContact NE1-OD2 3.44Å; W176-M554 HydrophobicContact CH2-CE 3.77Å; W176-M554 HydrophobicContact CH2-SD 4.39Å; W176-M554 HydrophobicContact CZ3-CE 3.75Å
177	S	81.3	Confident	83.9	Confident	1 Å²	1	16.3 Å²	16.3	1%	0.007	9%	0.086	C	C	.	.	H	α-helix	trans	-58.7	-40.8	-179.9	-64.7	0	0	0	0	113	Q173 V181 W315	Q173-S177 PolarHBondContact O-N 2.88Å; Q173-S177 PolarHBondContact O-OG 2.84Å; S177-V181 WeakPolarHBondContact O-CG2 3.42Å; S177-V181 PolarHBondContact O-N 3.03Å; S177-V181 VanDerWaalsContact O-N 3.16Å; S177-W315 WeakPolarHBondContact OG-CH2 3.44Å
178	I	86	Confident	83.5	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-73.1	-36.5	176.9	-169	155.9	0	0	0	113	L92 V94 L107 V109 F156 P169 T174 M175 W176 Q180 V181 L182	L92-I178 VanDerWaalsContact CD2-CA 3.44Å; L92-I178 HydrophobicContact CD2-CB 3.78Å; L92-I178 HydrophobicContact CD2-CG1 4.19Å; V94-I178 HydrophobicContact CG1-CB 4.04Å; V94-I178 HydrophobicContact CG1-CD1 4.47Å; V94-I178 HydrophobicContact CG2-CB 4.25Å; V94-I178 HydrophobicContact CG2-CD1 3.58Å; V94-I178 HydrophobicContact CG2-CG2 4.41Å; L107-I178 HydrophobicContact CB-CD1 4.47Å; L107-I178 HydrophobicContact CD2-CD1 3.58Å; L107-I178 HydrophobicContact CG-CD1 3.86Å; V109-I178 HydrophobicContact CG2-CD1 4.38Å; V109-I178 HydrophobicContact CG2-CG1 4.4Å; F156-I178 HydrophobicContact CD1-CG2 4.46Å; F156-I178 HydrophobicContact CE1-CG2 3.52Å; F156-I178 HydrophobicContact CZ-CD1 3.98Å; F156-I178 HydrophobicContact CZ-CG1 4.07Å; F156-I178 HydrophobicContact CZ-CG2 3.66Å; P169-I178 HydrophobicContact CG-CG2 4.45Å; T174-I178 WeakPolarHBondContact O-CG2 3.49Å; T174-I178 PolarHBondContact O-N 3.32Å; M175-I178 WeakPolarHBondContact O-CG2 3.28Å; W176-I178 VanDerWaalsContact C-N 3.34Å; W176-I178 PolarHBondContact O-N 3.1Å; I178-Q180 VanDerWaalsContact C-N 3.35Å; I178-Q180 PolarHBondContact O-N 3.38Å; I178-V181 PolarHBondContact O-N 3.38Å; I178-L182 WeakPolarHBondContact O-CB 3.45Å; I178-L182 PolarHBondContact O-N 3.45Å
179	L	84.6	Confident	83.4	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-66.2	-36.5	176.2	-69.9	173.6	0	0	0	112.1	V148 L150 F156 M175 W176 H183 L293 L550	V148-L179 HydrophobicContact CG1-CD2 3.73Å; L150-L179 HydrophobicContact CD2-CD1 4.09Å; F156-L179 HydrophobicContact CB-CD2 4.06Å; F156-L179 HydrophobicContact CD1-CD2 4.4Å; F156-L179 HydrophobicContact CD2-CD2 3.96Å; F156-L179 HydrophobicContact CG-CD2 3.89Å; M175-L179 HydrophobicContact CG-CD1 3.92Å; M175-L179 HydrophobicContact CG-CG 4.47Å; M175-L179 WeakPolarHBondContact O-CB 3.42Å; M175-L179 VanDerWaalsContact O-CG 3.26Å; M175-L179 WeakPolarHBondContact O-CG 3.28Å; M175-L179 PolarHBondContact O-N 2.64Å; M175-L179 VanDerWaalsContact O-N 3.12Å; W176-L179 PolarHBondContact O-N 2.85Å; L179-H183 WeakPolarHBondContact O-CB 3.47Å; L179-H183 PolarHBondContact O-N 3.3Å; L179-L293 HydrophobicContact CD1-CD1 3.43Å; L179-L293 VanDerWaalsContact CD1-CD1 3.43Å; L179-L293 HydrophobicContact CD1-CD2 4.46Å; L179-L550 HydrophobicContact CB-CD1 4.1Å; L179-L550 HydrophobicContact CD2-CD1 4.27Å; L179-L550 HydrophobicContact CD2-CD2 4.16Å
180	Q	76.4	Confident	83.1	Confident	52 Å²	52	20.2 Å²	20.2	24%	0.243	11%	0.107	C	C	.	.	H	α-helix	trans	-63.2	-52.6	172.5	-73.1	178.1	-50.3	0	0	112	W176 I178 L182 H183 G184 D300	W176-Q180 HydrophobicContact CD2-CG 4.2Å; W176-Q180 HydrophobicContact CZ2-CG 4.02Å; W176-Q180 VanDerWaalsContact NE1-CD 3.25Å; W176-Q180 WeakPolarHBondContact O-CG 3.24Å; W176-Q180 PolarHBondContact O-N 3.23Å; I178-Q180 VanDerWaalsContact C-N 3.35Å; I178-Q180 PolarHBondContact O-N 3.38Å; Q180-L182 VanDerWaalsContact C-N 3.33Å; Q180-L182 PolarHBondContact O-N 3.35Å; Q180-H183 PolarHBondContact O-N 3.11Å; Q180-G184 PolarHBondContact O-N 2.94Å; Q180-D300 PolarHBondContact NE2-OD2 2.65Å
181	V	80.6	Confident	82.8	Confident	29 Å²	29	24.8 Å²	24.8	18%	0.176	12%	0.124	C	C	.	.	H	α-helix	trans	-64	-39.9	-179.2	173.4	0	0	0	0	111.1	L40 K91 L92 V109 S177 I178 G184 C185	L40-V181 HydrophobicContact CD1-CG2 4.02Å; K91-V181 HydrophobicContact CB-CG1 4.29Å; L92-V181 HydrophobicContact CB-CG1 4.26Å; L92-V181 HydrophobicContact CB-CG2 4.28Å; L92-V181 HydrophobicContact CD2-CB 4.16Å; L92-V181 HydrophobicContact CD2-CG2 4.04Å; V109-V181 HydrophobicContact CB-CG1 4.23Å; V109-V181 HydrophobicContact CG1-CG1 4.08Å; V109-V181 HydrophobicContact CG2-CG1 4.03Å; S177-V181 WeakPolarHBondContact O-CG2 3.42Å; S177-V181 PolarHBondContact O-N 3.03Å; S177-V181 VanDerWaalsContact O-N 3.16Å; I178-V181 PolarHBondContact O-N 3.38Å; V181-G184 PolarHBondContact O-N 2.95Å; V181-C185 PolarHBondContact O-N 3.1Å; V181-C185 PolarHBondContact O-SG 3.36Å
182	L	85.9	Confident	82.7	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-68.6	-39.4	178.1	-175.1	56.1	0	0	0	112.3	L121 V142 V148 F156 V158 I178 Q180 G184 C185 C186	L121-L182 HydrophobicContact CD1-CD1 4.32Å; L121-L182 HydrophobicContact CD1-CD2 4.46Å; L121-L182 HydrophobicContact CD2-CD1 4.39Å; V142-L182 HydrophobicContact CG2-CD1 4.14Å; V148-L182 HydrophobicContact CG1-CD2 4.27Å; V148-L182 HydrophobicContact CG2-CD2 3.62Å; V148-L182 HydrophobicContact CG2-CG 4Å; F156-L182 HydrophobicContact CE2-CD2 4.06Å; V158-L182 HydrophobicContact CG2-CD2 3.71Å; I178-L182 WeakPolarHBondContact O-CB 3.45Å; I178-L182 PolarHBondContact O-N 3.45Å; Q180-L182 VanDerWaalsContact C-N 3.33Å; Q180-L182 PolarHBondContact O-N 3.35Å; L182-G184 VanDerWaalsContact C-N 3.33Å; L182-G184 PolarHBondContact O-N 2.94Å; L182-C185 WeakPolarHBondContact O-CB 3.36Å; L182-C185 PolarHBondContact O-N 2.89Å; L182-C185 VanDerWaalsContact O-N 3.11Å; L182-C186 PolarHBondContact O-N 3.43Å; L182-C186 PolarHBondContact O-SG 2.82Å
183	H	81.5	Confident	83	Confident	34 Å²	34	29.6 Å²	29.6	16%	0.157	16%	0.164	C	C	.	.	H	α-helix	trans	-55.2	-49.5	171.6	-177.8	-91.2	0	0	0	111	L179 Q180 C185 C186 E187 L550 F551	L179-H183 WeakPolarHBondContact O-CB 3.47Å; L179-H183 PolarHBondContact O-N 3.3Å; Q180-H183 PolarHBondContact O-N 3.11Å; H183-C185 VanDerWaalsContact C-N 3.29Å; H183-C185 PolarHBondContact O-N 2.87Å; H183-C186 PolarHBondContact O-N 3.06Å; H183-E187 IonicContact CE1-OE2 2.64Å; H183-E187 PolarHBondContact CE1-OE2 3.49Å; H183-E187 IonicContact ND1-OE2 3.84Å; H183-E187 PolarHBondContact ND1-OE2 3.13Å; H183-E187 PolarHBondContact O-N 3.28Å; H183-L550 HydrophobicContact CB-CD2 4.05Å; H183-L550 HydrophobicContact CB-CG 4.43Å; H183-F551 AromaticContact CD2-CD1 3.8Å; H183-F551 AromaticContact CD2-CE1 3.97Å; H183-F551 AromaticContact NE2-CD1 3.53Å; H183-F551 AromaticContact NE2-CE1 3.85Å
184	G	77.5	Confident	83.4	Confident	20 Å²	20	30 Å²	30	21%	0.206	17%	0.166	C	C	.	.	H	α-helix	trans	-61.8	-34.2	176.5	0	0	0	0	0	113.4	Q180 V181 L182 R188	Q180-G184 PolarHBondContact O-N 2.94Å; V181-G184 PolarHBondContact O-N 2.95Å; L182-G184 VanDerWaalsContact C-N 3.33Å; L182-G184 PolarHBondContact O-N 2.94Å; G184-R188 VanDerWaalsContact C-NH1 3.3Å; G184-R188 WeakPolarHBondContact O-CG 3.4Å; G184-R188 PolarHBondContact O-N 3.47Å; G184-R188 VanDerWaalsContact O-N 3.14Å; G184-R188 PolarHBondContact O-NH1 2.86Å
185	C	84.6	Confident	83.5	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-67.7	-47.3	173.6	-64.2	0	0	0	0	112	V142 V181 L182 H183 E187 R188 A189	V142-C185 HydrophobicContact CG1-CB 4.23Å; V181-C185 PolarHBondContact O-N 3.1Å; V181-C185 PolarHBondContact O-SG 3.36Å; L182-C185 WeakPolarHBondContact O-CB 3.36Å; L182-C185 PolarHBondContact O-N 2.89Å; L182-C185 VanDerWaalsContact O-N 3.11Å; H183-C185 VanDerWaalsContact C-N 3.29Å; H183-C185 PolarHBondContact O-N 2.87Å; C185-E187 PolarHBondContact O-N 3.39Å; C185-R188 PolarHBondContact O-N 3.06Å; C185-R188 PolarHBondContact SG-NH2 3.08Å; C185-A189 PolarHBondContact O-N 3.08Å
186	C	83.9	Confident	83.3	Confident	1 Å²	1	37.4 Å²	37.4	1%	0.007	21%	0.209	C	C	.	.	H	α-helix	trans	-65.2	-39.2	178.5	-60	0	0	0	0	111.6	V142 L182 H183 R188 A189 V190 F551	V142-C186 HydrophobicContact CG1-CB 4.46Å; L182-C186 PolarHBondContact O-N 3.43Å; L182-C186 PolarHBondContact O-SG 2.82Å; H183-C186 PolarHBondContact O-N 3.06Å; C186-R188 VanDerWaalsContact C-N 3.33Å; C186-R188 PolarHBondContact O-N 3Å; C186-A189 PolarHBondContact O-N 3.22Å; C186-V190 WeakPolarHBondContact O-CB 3.47Å; C186-V190 VanDerWaalsContact O-CG2 3.3Å; C186-V190 WeakPolarHBondContact O-CG2 3.17Å; C186-V190 PolarHBondContact O-N 3.4Å; C186-F551 HydrophobicContact CB-CE2 4.08Å; C186-F551 HydrophobicContact CB-CZ 3.53Å
187	E	80.3	Confident	83	Confident	66 Å²	66	39.9 Å²	39.9	31%	0.308	24%	0.238	S	C	.	.	H	α-helix	trans	-57.9	-42.8	171.2	-86.4	-161.5	77.4	0	0	112.7	H183 C185 V190 K191 F551	H183-E187 IonicContact CE1-OE2 2.64Å; H183-E187 PolarHBondContact CE1-OE2 3.49Å; H183-E187 IonicContact ND1-OE2 3.84Å; H183-E187 PolarHBondContact ND1-OE2 3.13Å; H183-E187 PolarHBondContact O-N 3.28Å; C185-E187 PolarHBondContact O-N 3.39Å; E187-V190 PolarHBondContact O-N 2.6Å; E187-K191 WeakPolarHBondContact O-CB 3.3Å; E187-K191 WeakPolarHBondContact O-CD 3.47Å; E187-K191 WeakPolarHBondContact O-CG 3.42Å; E187-K191 PolarHBondContact O-N 2.89Å; E187-K191 WeakPolarHBondContact OE1-CE 3.29Å; E187-K191 IonicContact OE1-NZ 2.66Å; E187-K191 PolarHBondContact OE1-NZ 3.34Å; E187-F551 HydrophobicContact CG-CE1 4.19Å
188	R	82.1	Confident	82.7	Confident	68 Å²	68	43.1 Å²	43.1	26%	0.257	26%	0.26	S	S	.	.	H	α-helix	trans	-66.4	-43.1	176.5	-77.3	-165.2	-51	-75.8	-3.8	111.8	K116 G184 C185 C186 V190 K191 A192	K116-R188 WeakPolarHBondContact O-CD 3.47Å; K116-R188 PolarHBondContact O-NE 2.99Å; G184-R188 VanDerWaalsContact C-NH1 3.3Å; G184-R188 WeakPolarHBondContact O-CG 3.4Å; G184-R188 PolarHBondContact O-N 3.47Å; G184-R188 VanDerWaalsContact O-N 3.14Å; G184-R188 PolarHBondContact O-NH1 2.86Å; C185-R188 PolarHBondContact O-N 3.06Å; C185-R188 PolarHBondContact SG-NH2 3.08Å; C186-R188 VanDerWaalsContact C-N 3.33Å; C186-R188 PolarHBondContact O-N 3Å; R188-V190 VanDerWaalsContact C-N 3.33Å; R188-V190 PolarHBondContact O-N 2.86Å; R188-K191 PolarHBondContact O-N 3.1Å; R188-A192 VanDerWaalsContact O-CB 3.31Å; R188-A192 WeakPolarHBondContact O-CB 3.28Å; R188-A192 PolarHBondContact O-N 2.96Å
189	A	87.4	Confident	82.4	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.008	27%	0.271	C	S	.	.	H	α-helix	trans	-61.1	-39.7	175.4	0	0	0	0	0	112.5	V142 C185 C186 A193 L194	V142-A189 HydrophobicContact CG1-CB 4.33Å; V142-A189 WeakPolarHBondContact O-CB 3.42Å; C185-A189 PolarHBondContact O-N 3.08Å; C186-A189 PolarHBondContact O-N 3.22Å; A189-A193 PolarHBondContact O-N 2.95Å; A189-L194 HydrophobicContact CB-CB 4.34Å; A189-L194 HydrophobicContact CB-CD1 4.03Å; A189-L194 HydrophobicContact CB-CG 4.46Å; A189-L194 PolarHBondContact O-N 3.4Å
190	V	84	Confident	82.5	Confident	79 Å²	79	44.5 Å²	44.5	48%	0.479	27%	0.273	S	S	.	.	H	α-helix	trans	-64.6	-49.9	171.9	170.1	0	0	0	0	111.5	S144 C186 E187 R188 A192 A193	S144-V190 VanDerWaalsContact O-CG2 3.29Å; S144-V190 WeakPolarHBondContact O-CG2 3.29Å; C186-V190 WeakPolarHBondContact O-CB 3.47Å; C186-V190 VanDerWaalsContact O-CG2 3.3Å; C186-V190 WeakPolarHBondContact O-CG2 3.17Å; C186-V190 PolarHBondContact O-N 3.4Å; E187-V190 PolarHBondContact O-N 2.6Å; R188-V190 VanDerWaalsContact C-N 3.33Å; R188-V190 PolarHBondContact O-N 2.86Å; V190-A192 PolarHBondContact O-N 2.9Å; V190-A193 PolarHBondContact O-N 3.34Å
191	K	82.2	Confident	83	Confident	140 Å²	140	48.4 Å²	48.4	61%	0.609	29%	0.291	S	S	*	.	H	α-helix	trans	-62.8	-27.9	-180	-71.7	164.4	-168.9	172.1	0	112.7	E187 R188	E187-K191 WeakPolarHBondContact O-CB 3.3Å; E187-K191 WeakPolarHBondContact O-CD 3.47Å; E187-K191 WeakPolarHBondContact O-CG 3.42Å; E187-K191 PolarHBondContact O-N 2.89Å; E187-K191 WeakPolarHBondContact OE1-CE 3.29Å; E187-K191 IonicContact OE1-NZ 2.66Å; E187-K191 PolarHBondContact OE1-NZ 3.34Å; R188-K191 PolarHBondContact O-N 3.1Å
192	A	85.7	Confident	83.6	Confident	42 Å²	42	48.2 Å²	48.2	35%	0.347	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-1.2	175.6	0	0	0	0	0	114.5	Q117 R188 V190 L194	Q117-A192 HydrophobicContact CB-CB 3.71Å; Q117-A192 HydrophobicContact CG-CB 4Å; R188-A192 VanDerWaalsContact O-CB 3.31Å; R188-A192 WeakPolarHBondContact O-CB 3.28Å; R188-A192 PolarHBondContact O-N 2.96Å; V190-A192 PolarHBondContact O-N 2.9Å; A192-L194 VanDerWaalsContact C-N 3.31Å; A192-L194 HydrophobicContact CB-CD2 4.33Å; A192-L194 HydrophobicContact CB-CG 4.11Å; A192-L194 PolarHBondContact O-N 2.96Å
193	A	88.1	Confident	83.8	Confident	65 Å²	65	48.5 Å²	48.5	54%	0.537	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	41.3	-177.1	0	0	0	0	0	114.6	A189 V190 I195	A189-A193 PolarHBondContact O-N 2.95Å; V190-A193 PolarHBondContact O-N 3.34Å; A193-I195 PolarHBondContact O-N 3.39Å
194	L	87.5	Confident	84.2	Confident	13 Å²	13	51.1 Å²	51.1	7%	0.068	30%	0.302	C	S	.	.			trans	-68.7	112.5	179.4	-62.4	-178.3	0	0	0	111.3	E118 W143 S144 A189 A192	E118-L194 HydrophobicContact CB-CD1 4.48Å; E118-L194 HydrophobicContact CG-CD1 3.73Å; E118-L194 HydrophobicContact CG-CD2 4.07Å; W143-L194 HydrophobicContact CE3-CB 4.31Å; S144-L194 WeakPolarHBondContact CB-O 3.25Å; S144-L194 PolarHBondContact N-O 3.28Å; S144-L194 PolarHBondContact OG-O 3.39Å; A189-L194 HydrophobicContact CB-CB 4.34Å; A189-L194 HydrophobicContact CB-CD1 4.03Å; A189-L194 HydrophobicContact CB-CG 4.46Å; A189-L194 PolarHBondContact O-N 3.4Å; A192-L194 VanDerWaalsContact C-N 3.31Å; A192-L194 HydrophobicContact CB-CD2 4.33Å; A192-L194 HydrophobicContact CB-CG 4.11Å; A192-L194 PolarHBondContact O-N 2.96Å
195	I	86.8	Confident	84.9	Confident	89 Å²	89	53.9 Å²	53.9	46%	0.456	31%	0.309	S	S	.	.	B	Isolated β-bridge	trans	-122.7	154.8	176.8	59.1	170.8	0	0	0	111.2	W143 A193 G197 C198	W143-I195 VanDerWaalsContact CE3-C 3.45Å; W143-I195 VanDerWaalsContact CZ3-O 3.32Å; W143-I195 WeakPolarHBondContact CZ3-O 3.47Å; A193-I195 PolarHBondContact O-N 3.39Å; I195-G197 PolarHBondContact O-N 3.49Å; I195-G197 VanDerWaalsContact O-N 3.11Å; I195-C198 WeakPolarHBondContact CG1-SG 3.44Å; I195-C198 PolarHBondContact O-N 3.24Å
196	P	82.4	Confident	85.4	Confident	74 Å²	74	53.9 Å²	53.9	48%	0.481	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	118.7	176.5	-28.2	34.5	0	0	0	112.5	W143 A161	W143-P196 HydrophobicContact CD2-CG 4Å; W143-P196 HydrophobicContact CG-CG 4.19Å; W143-P196 HydrophobicContact CZ2-CB 4.27Å; W143-P196 HydrophobicContact CZ2-CG 4.28Å; A161-P196 HydrophobicContact CB-CG 4.18Å
197	G	73.9	Confident	85.8	Confident	64 Å²	64	55.9 Å²	55.9	66%	0.66	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.9	0.4	-177.2	0	0	0	0	0	115.8	I195	I195-G197 PolarHBondContact O-N 3.49Å; I195-G197 VanDerWaalsContact O-N 3.11Å
198	C	75.4	Confident	86.5	Confident	68 Å²	68	61.9 Å²	61.9	46%	0.459	35%	0.346	S	S	.	.	B	Isolated β-bridge	trans	-142.7	113.2	159.9	64.7	0	0	0	0	112.7	I195	I195-C198 WeakPolarHBondContact CG1-SG 3.44Å; I195-C198 PolarHBondContact O-N 3.24Å
199	G	80.3	Confident	87	Confident	23 Å²	23	61.5 Å²	61.5	24%	0.237	35%	0.347	C	S	.	.	S	Bend	trans	92.8	164.2	-169.3	0	0	0	0	0	112	E201	G199-E201 PolarHBondContact O-N 3.07Å; G199-E201 VanDerWaalsContact O-N 3.07Å
200	L	86.3	Confident	87.3	Confident	6 Å²	6	65 Å²	65	3%	0.031	36%	0.364	C	S	.	.			trans	58.2	16.9	-178.9	-54.2	178.3	0	0	0	115.8	E118 I120 P141 V142 W143 W202 A203	E118-L200 HydrophobicContact CB-CD2 3.53Å; E118-L200 HydrophobicContact CG-CD2 3.65Å; E118-L200 HydrophobicContact CG-CG 4.22Å; E118-L200 WeakPolarHBondContact OE2-CA 3.43Å; E118-L200 PolarHBondContact OE2-N 3.24Å; I120-L200 HydrophobicContact CG2-CD2 3.99Å; P141-L200 HydrophobicContact CB-CD1 3.67Å; V142-L200 WeakPolarHBondContact O-CD1 3.5Å; W143-L200 HydrophobicContact CD2-CD1 4.21Å; W143-L200 HydrophobicContact CE3-CD1 3.79Å; W143-L200 HydrophobicContact CE3-CG 4.49Å; W143-L200 HydrophobicContact CH2-CB 3.76Å; W143-L200 HydrophobicContact CH2-CD1 4.14Å; W143-L200 HydrophobicContact CH2-CG 4.36Å; W143-L200 HydrophobicContact CZ3-CB 3.88Å; W143-L200 HydrophobicContact CZ3-CD1 3.76Å; W143-L200 HydrophobicContact CZ3-CG 4.02Å; L200-W202 HydrophobicContact CD2-CZ2 3.86Å; L200-W202 PolarHBondContact O-N 3.11Å; L200-A203 WeakPolarHBondContact O-CB 3.43Å; L200-A203 PolarHBondContact O-N 3.09Å
201	E	87.1	Confident	87.7	Confident	135 Å²	135	67.9 Å²	67.9	63%	0.631	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-27.5	171.2	-71.7	-64.6	140.7	0	0	113	G199 A203 Q204	G199-E201 PolarHBondContact O-N 3.07Å; G199-E201 VanDerWaalsContact O-N 3.07Å; E201-A203 VanDerWaalsContact C-N 3.34Å; E201-Q204 VanDerWaalsContact O-CB 3.27Å; E201-Q204 WeakPolarHBondContact O-CB 3.4Å; E201-Q204 PolarHBondContact O-N 3.49Å
202	W	91.6	Very high	88.1	Confident	25 Å²	25	61.5 Å²	61.5	10%	0.095	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-21.5	175.9	58.7	-83.9	0	0	0	114.1	R85 V110 T112 E118 I120 L200 Q204 H205 Y206	R85-W202 VanDerWaalsContact NH2-CB 3.32Å; V110-W202 HydrophobicContact CG1-CH2 4.19Å; V110-W202 HydrophobicContact CG1-CZ3 4.04Å; T112-W202 HydrophobicContact CG2-CD2 4.43Å; T112-W202 HydrophobicContact CG2-CZ2 3.97Å; E118-W202 HydrophobicContact CB-CZ2 4.25Å; E118-W202 PolarHBondContact OE2-NE1 2.82Å; I120-W202 HydrophobicContact CB-CH2 4.33Å; I120-W202 HydrophobicContact CD1-CE3 4.14Å; I120-W202 HydrophobicContact CD1-CH2 3.97Å; I120-W202 HydrophobicContact CD1-CZ3 3.49Å; I120-W202 VanDerWaalsContact CD1-CZ3 3.49Å; I120-W202 HydrophobicContact CG1-CH2 3.76Å; I120-W202 HydrophobicContact CG1-CZ3 3.8Å; I120-W202 HydrophobicContact CG2-CH2 3.87Å; I120-W202 HydrophobicContact CG2-CZ2 4.03Å; I120-W202 HydrophobicContact CG2-CZ3 4.29Å; L200-W202 HydrophobicContact CD2-CZ2 3.86Å; L200-W202 PolarHBondContact O-N 3.11Å; W202-Q204 PolarHBondContact O-N 2.92Å; W202-H205 WeakPolarHBondContact O-CB 3.37Å; W202-H205 PolarHBondContact O-N 2.82Å; W202-Y206 HydrophobicContact CE3-CD2 4.34Å; W202-Y206 AromaticContact CE3-CE2 3.82Å; W202-Y206 HydrophobicContact CE3-CE2 3.82Å; W202-Y206 HydrophobicContact CZ3-CD2 4.49Å; W202-Y206 AromaticContact CZ3-CE2 3.89Å; W202-Y206 HydrophobicContact CZ3-CE2 3.89Å
203	A	91.3	Very high	88.3	Confident	6 Å²	6	62.9 Å²	62.9	5%	0.05	35%	0.347	C	S	.	.	H	α-helix	trans	-57.9	-30.4	170.9	0	0	0	0	0	111.5	I120 V139 P141 L200 E201 H205 Y206 A207	I120-A203 HydrophobicContact CG2-CB 3.92Å; V139-A203 HydrophobicContact CG1-CB 4.41Å; P141-A203 HydrophobicContact CG-CB 4.22Å; L200-A203 WeakPolarHBondContact O-CB 3.43Å; L200-A203 PolarHBondContact O-N 3.09Å; E201-A203 VanDerWaalsContact C-N 3.34Å; A203-H205 PolarHBondContact O-N 2.86Å; A203-Y206 PolarHBondContact O-N 3.14Å; A203-A207 PolarHBondContact O-N 2.88Å
204	Q	90.8	Very high	88.4	Confident	89 Å²	89	69.3 Å²	69.3	42%	0.416	36%	0.357	S	S	.	.	H	α-helix	trans	-66.7	-15	176.7	-172.3	57.4	99.8	0	0	113.4	E201 W202 R208	E201-Q204 VanDerWaalsContact O-CB 3.27Å; E201-Q204 WeakPolarHBondContact O-CB 3.4Å; E201-Q204 PolarHBondContact O-N 3.49Å; W202-Q204 PolarHBondContact O-N 2.92Å; Q204-R208 WeakPolarHBondContact O-CD 3.26Å; Q204-R208 VanDerWaalsContact O-CG 3.32Å; Q204-R208 WeakPolarHBondContact O-CG 3.28Å
205	H	92.3	Very high	88.4	Confident	78 Å²	78	73.3 Å²	73.3	36%	0.361	37%	0.374	S	S	.	.	H	α-helix	trans	-66.2	-60.6	167.6	-175.2	86	0	0	0	110.1	W202 A203 A207 R208 Q209	W202-H205 WeakPolarHBondContact O-CB 3.37Å; W202-H205 PolarHBondContact O-N 2.82Å; A203-H205 PolarHBondContact O-N 2.86Å; H205-A207 VanDerWaalsContact C-N 3.3Å; H205-A207 PolarHBondContact O-N 3.43Å; H205-R208 WeakPolarHBondContact O-CB 3.24Å; H205-R208 PolarHBondContact O-N 3.23Å; H205-Q209 PolarHBondContact CD2-OE1 2.79Å; H205-Q209 PolarHBondContact NE2-NE2 2.99Å; H205-Q209 PolarHBondContact NE2-OE1 3Å; H205-Q209 PolarHBondContact O-OE1 3.15Å
206	Y	95	Very high	88.5	Confident	0 Å²	0	69 Å²	69	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-62.6	-35.4	-179.7	-59.5	-64.8	0	0	0	112.6	L84 R85 D88 I120 L122 I136 W202 A203 R208 Q209	L84-Y206 HydrophobicContact CD2-CE1 3.88Å; R85-Y206 HydrophobicContact CG-CE1 4.48Å; R85-Y206 PolarHBondContact N-OH 3.49Å; D88-Y206 WeakPolarHBondContact OD2-CE2 3.36Å; D88-Y206 PolarHBondContact OD2-OH 2.75Å; I120-Y206 HydrophobicContact CD1-CD2 3.59Å; I120-Y206 HydrophobicContact CD1-CE2 4.02Å; L122-Y206 HydrophobicContact CD1-CD1 4.12Å; L122-Y206 HydrophobicContact CD1-CD2 4.27Å; L122-Y206 HydrophobicContact CD1-CE1 4.27Å; L122-Y206 HydrophobicContact CD1-CE2 4.42Å; L122-Y206 HydrophobicContact CD1-CG 4.11Å; L122-Y206 HydrophobicContact CD2-CD2 4.26Å; L122-Y206 HydrophobicContact CD2-CG 4.01Å; I136-Y206 HydrophobicContact CD1-CD1 3.63Å; I136-Y206 HydrophobicContact CD1-CE1 4.47Å; I136-Y206 HydrophobicContact CD1-CG 4.37Å; W202-Y206 HydrophobicContact CE3-CD2 4.34Å; W202-Y206 AromaticContact CE3-CE2 3.82Å; W202-Y206 HydrophobicContact CE3-CE2 3.82Å; W202-Y206 HydrophobicContact CZ3-CD2 4.49Å; W202-Y206 AromaticContact CZ3-CE2 3.89Å; W202-Y206 HydrophobicContact CZ3-CE2 3.89Å; A203-Y206 PolarHBondContact O-N 3.14Å; Y206-R208 PolarHBondContact O-N 3.3Å; Y206-R208 VanDerWaalsContact O-N 3.13Å; Y206-Q209 CarbonylContact O-C 3.52Å; Y206-Q209 WeakPolarHBondContact O-CA 3.44Å; Y206-Q209 PolarHBondContact O-N 2.87Å
207	A	92.3	Very high	88.9	Confident	42 Å²	42	67.5 Å²	67.5	35%	0.347	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-13.6	176.4	0	0	0	0	0	113.8	V139 A203 H205	V139-A207 HydrophobicContact CB-CB 4.47Å; V139-A207 HydrophobicContact CG2-CB 4.46Å; A203-A207 PolarHBondContact O-N 2.88Å; H205-A207 VanDerWaalsContact C-N 3.3Å; H205-A207 PolarHBondContact O-N 3.43Å
208	R	93.5	Very high	89.6	Confident	193 Å²	193	68.4 Å²	68.4	73%	0.728	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-4.1	170.8	-66.4	167.4	-175.7	156.6	3	113.2	Q204 H205 Y206	Q204-R208 WeakPolarHBondContact O-CD 3.26Å; Q204-R208 VanDerWaalsContact O-CG 3.32Å; Q204-R208 WeakPolarHBondContact O-CG 3.28Å; H205-R208 WeakPolarHBondContact O-CB 3.24Å; H205-R208 PolarHBondContact O-N 3.23Å; Y206-R208 PolarHBondContact O-N 3.3Å; Y206-R208 VanDerWaalsContact O-N 3.13Å
209	Q	92.6	Very high	90.3	Very high	60 Å²	60	66.6 Å²	66.6	28%	0.28	32%	0.315	S	S	.	.			trans	-115.2	21.8	-177.7	-65.9	163.1	-38.5	0	0	111.6	I136 H205 Y206 E211	I136-Q209 HydrophobicContact CD1-CB 4.47Å; H205-Q209 PolarHBondContact CD2-OE1 2.79Å; H205-Q209 PolarHBondContact NE2-NE2 2.99Å; H205-Q209 PolarHBondContact NE2-OE1 3Å; H205-Q209 PolarHBondContact O-OE1 3.15Å; Y206-Q209 CarbonylContact O-C 3.52Å; Y206-Q209 WeakPolarHBondContact O-CA 3.44Å; Y206-Q209 PolarHBondContact O-N 2.87Å; Q209-E211 PolarHBondContact O-N 3.26Å
210	I	93.8	Very high	90.8	Very high	74 Å²	74	66.1 Å²	66.1	38%	0.379	31%	0.306	S	S	.	.	B	Isolated β-bridge	trans	-72.4	98.2	173.6	-61.3	178.2	0	0	0	107.8	I136 V139 L217	I136-I210 HydrophobicContact CG2-CG1 4.44Å; I136-I210 CarbonylContact O-C 3.54Å; I136-I210 WeakPolarHBondContact O-CA 3.29Å; V139-I210 HydrophobicContact CG2-CD1 4.16Å; V139-I210 HydrophobicContact CG2-CG1 4.15Å; I210-L217 HydrophobicContact CG2-CD2 3.52Å
211	E	92.9	Very high	90.7	Very high	140 Å²	140	71.5 Å²	71.5	65%	0.654	33%	0.331	S	S	*	.			trans	-119.7	-3.8	-171.5	-70.5	-173.9	-168.9	0	0	113.4	T135 I136 Q209	T135-E211 HydrophobicContact CG2-CB 4.36Å; I136-E211 PolarHBondContact O-N 3.39Å; Q209-E211 PolarHBondContact O-N 3.26Å
212	S	91.8	Very high	90.3	Very high	6 Å²	6	67.3 Å²	67.3	4%	0.042	32%	0.32	C	S	.	.			trans	-56.5	145.5	173.6	-75.3	0	0	0	0	112	D125 T135 I136 G137 L217	D125-S212 WeakPolarHBondContact OD2-CB 3.31Å; D125-S212 PolarHBondContact OD2-OG 3.39Å; T135-S212 WeakPolarHBondContact CB-OG 3.34Å; T135-S212 PolarHBondContact O-OG 3.42Å; T135-S212 WeakPolarHBondContact OG1-CA 3.49Å; T135-S212 PolarHBondContact OG1-OG 3.35Å; I136-S212 PolarHBondContact O-N 3.18Å; I136-S212 VanDerWaalsContact O-N 3.08Å; I136-S212 PolarHBondContact O-OG 2.87Å; G137-S212 WeakPolarHBondContact CA-OG 3.28Å; G137-S212 PolarHBondContact N-OG 3.41Å; S212-L217 WeakPolarHBondContact O-CD1 3.43Å; S212-L217 WeakPolarHBondContact O-CG 3.47Å
213	D	89.6	Confident	89	Confident	71 Å²	71	72.5 Å²	72.5	38%	0.38	35%	0.346	S	S	.	.			trans	-67.3	161.8	-178.6	77.4	43.9	0	0	0	112.7	R103 F215 C216 L217	R103-D213 IonicContact CZ-OD1 3.61Å; R103-D213 IonicContact CZ-OD2 2.72Å; R103-D213 IonicContact NH1-OD1 3.18Å; R103-D213 IonicContact NH1-OD2 3.2Å; R103-D213 PolarHBondContact NH1-OD2 2.93Å; R103-D213 IonicContact NH2-OD1 3.97Å; R103-D213 IonicContact NH2-OD2 2.7Å; R103-D213 PolarHBondContact NH2-OD2 2.9Å; D213-F215 PolarHBondContact O-N 3.17Å; D213-F215 WeakPolarHBondContact OD1-CA 3.42Å; D213-F215 VanDerWaalsContact OD1-CB 3.28Å; D213-F215 WeakPolarHBondContact OD1-CB 3.47Å; D213-F215 PolarHBondContact OD1-N 2.89Å; D213-C216 WeakPolarHBondContact O-CA 3.48Å; D213-C216 WeakPolarHBondContact O-CB 3.14Å; D213-C216 PolarHBondContact O-N 2.75Å; D213-C216 PolarHBondContact OD1-N 2.73Å; D213-L217 PolarHBondContact O-N 3.32Å
214	R	90.3	Very high	87.3	Confident	199 Å²	199	75.1 Å²	75.1	75%	0.751	36%	0.359	S	S	*	.	H	α-helix	trans	-61.1	-20.9	-174.2	-167.9	172.3	-177.2	-178	3.1	114.2	N218	R214-N218 VanDerWaalsContact O-CB 3.3Å; R214-N218 WeakPolarHBondContact O-CB 3.1Å; R214-N218 PolarHBondContact O-N 2.87Å; R214-N218 VanDerWaalsContact O-N 3.12Å; R214-N218 PolarHBondContact O-ND2 3.46Å; R214-N218 PolarHBondContact O-OD1 3.2Å
215	F	87.8	Confident	85	Confident	97 Å²	97	78.4 Å²	78.4	43%	0.425	38%	0.38	S	S	.	.	H	α-helix	trans	-71.3	-48.3	172.2	-177.2	-84.3	0	0	0	110	V99 D213 N218 E219	V99-F215 HydrophobicContact CG1-CZ 4.47Å; D213-F215 PolarHBondContact O-N 3.17Å; D213-F215 WeakPolarHBondContact OD1-CA 3.42Å; D213-F215 VanDerWaalsContact OD1-CB 3.28Å; D213-F215 WeakPolarHBondContact OD1-CB 3.47Å; D213-F215 PolarHBondContact OD1-N 2.89Å; F215-N218 PolarHBondContact O-N 3.36Å; F215-E219 WeakPolarHBondContact O-CB 3.38Å; F215-E219 PolarHBondContact O-N 2.95Å; F215-E219 VanDerWaalsContact O-N 3.12Å
216	C	88.6	Confident	82.7	Confident	0 Å²	0	80.8 Å²	80.8	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-61.1	-45	175.1	-75.8	0	0	0	0	112.4	R103 R105 D125 D213 N218 E219 W220	R103-C216 PolarHBondContact NH1-SG 3.33Å; R105-C216 PolarHBondContact NH2-O 3.24Å; D125-C216 HydrophobicContact CB-CB 4.36Å; D125-C216 PolarHBondContact OD1-SG 2.99Å; D125-C216 WeakPolarHBondContact OD2-CB 3.34Å; D213-C216 WeakPolarHBondContact O-CA 3.48Å; D213-C216 WeakPolarHBondContact O-CB 3.14Å; D213-C216 PolarHBondContact O-N 2.75Å; D213-C216 PolarHBondContact OD1-N 2.73Å; C216-N218 PolarHBondContact O-N 3.43Å; C216-E219 CarbonylContact O-C 3.55Å; C216-E219 WeakPolarHBondContact O-CA 3.39Å; C216-E219 WeakPolarHBondContact O-CB 3.32Å; C216-E219 PolarHBondContact O-N 3.25Å; C216-W220 PolarHBondContact O-N 3.11Å
217	L	90.4	Very high	80.1	Confident	41 Å²	41	89 Å²	89	22%	0.215	43%	0.433	C	S	.	.	H	α-helix	trans	-60.5	-47.3	177.6	-61.4	179.2	0	0	0	111.9	G137 I210 S212 D213 E219 W220 E221	G137-L217 WeakPolarHBondContact O-CD2 3.42Å; I210-L217 HydrophobicContact CG2-CD2 3.52Å; S212-L217 WeakPolarHBondContact O-CD1 3.43Å; S212-L217 WeakPolarHBondContact O-CG 3.47Å; D213-L217 PolarHBondContact O-N 3.32Å; L217-E219 PolarHBondContact O-N 3.47Å; L217-E219 VanDerWaalsContact O-N 3.17Å; L217-W220 CarbonylContact O-C 3.47Å; L217-W220 PolarHBondContact O-N 2.9Å; L217-W220 VanDerWaalsContact O-N 3.07Å; L217-E221 WeakPolarHBondContact O-CB 3.34Å; L217-E221 WeakPolarHBondContact O-CG 3.43Å; L217-E221 PolarHBondContact O-N 3.14Å
218	N	89.2	Confident	77.7	Confident	83 Å²	83	90.4 Å²	90.4	44%	0.444	44%	0.44	S	S	.	.	H	α-helix	trans	-57.8	-29.9	174.4	-72	2.1	0	0	0	112.4	R214 F215 C216 E221 A222	R214-N218 VanDerWaalsContact O-CB 3.3Å; R214-N218 WeakPolarHBondContact O-CB 3.1Å; R214-N218 PolarHBondContact O-N 2.87Å; R214-N218 VanDerWaalsContact O-N 3.12Å; R214-N218 PolarHBondContact O-ND2 3.46Å; R214-N218 PolarHBondContact O-OD1 3.2Å; F215-N218 PolarHBondContact O-N 3.36Å; C216-N218 PolarHBondContact O-N 3.43Å; N218-E221 CarbonylContact O-C 3.59Å; N218-A222 WeakPolarHBondContact O-CB 3.32Å; N218-A222 PolarHBondContact O-N 2.99Å
219	E	89.6	Confident	75.1	Confident	31 Å²	31	86.3 Å²	86.3	15%	0.145	44%	0.437	C	S	.	.	H	α-helix	trans	-83.4	-22.2	179.6	-163.7	-170.3	-175.7	0	0	112.3	S98 V99 R105 F215 C216 L217	S98-E219 WeakPolarHBondContact CA-OE1 3.2Å; S98-E219 PolarHBondContact OG-OE1 3.17Å; V99-E219 HydrophobicContact CG2-CG 4.19Å; V99-E219 PolarHBondContact N-OE1 3.48Å; R105-E219 IonicContact CZ-OE2 2.76Å; R105-E219 VanDerWaalsContact CZ-OE2 3.32Å; R105-E219 VanDerWaalsContact NH1-CD 3.31Å; R105-E219 PolarHBondContact NH1-O 2.91Å; R105-E219 IonicContact NH1-OE1 3.26Å; R105-E219 IonicContact NH1-OE2 3.7Å; R105-E219 PolarHBondContact NH1-OE2 3.31Å; R105-E219 IonicContact NH2-OE2 2.92Å; R105-E219 PolarHBondContact NH2-OE2 2.96Å; F215-E219 WeakPolarHBondContact O-CB 3.38Å; F215-E219 PolarHBondContact O-N 2.95Å; F215-E219 VanDerWaalsContact O-N 3.12Å; C216-E219 CarbonylContact O-C 3.55Å; C216-E219 WeakPolarHBondContact O-CA 3.39Å; C216-E219 WeakPolarHBondContact O-CB 3.32Å; C216-E219 PolarHBondContact O-N 3.25Å; L217-E219 PolarHBondContact O-N 3.47Å; L217-E219 VanDerWaalsContact O-N 3.17Å
220	W	89.7	Confident	72.6	Confident	12 Å²	12	94.2 Å²	94.2	5%	0.045	46%	0.464	C	S	.	.	H	α-helix	trans	-85.5	-20.7	166.6	-67.6	116.1	0	0	0	113	L96 R105 G123 D125 L138 R165 F167 C216 L217	L96-W220 HydrophobicContact CD1-CH2 4.05Å; L96-W220 HydrophobicContact CD1-CZ3 3.82Å; R105-W220 HydrophobicContact CG-CH2 3.42Å; R105-W220 VanDerWaalsContact CG-CH2 3.42Å; R105-W220 HydrophobicContact CG-CZ2 3.38Å; R105-W220 HydrophobicContact CG-CZ3 4.31Å; R105-W220 VanDerWaalsContact NE-CZ2 3.27Å; G123-W220 VanDerWaalsContact C-CZ2 3.42Å; D125-W220 PolarHBondContact OD1-NE1 2.96Å; D125-W220 PolarHBondContact OD2-NE1 3.19Å; L138-W220 HydrophobicContact CB-CB 4.25Å; L138-W220 HydrophobicContact CB-CD2 3.86Å; L138-W220 HydrophobicContact CB-CE3 4.03Å; L138-W220 HydrophobicContact CB-CG 4.01Å; L138-W220 HydrophobicContact CD2-CD2 4.38Å; L138-W220 HydrophobicContact CD2-CE3 3.73Å; L138-W220 HydrophobicContact CD2-CZ3 4.16Å; R165-W220 WeakPolarHBondContact CD-O 3.18Å; R165-W220 PolarHBondContact NH1-O 3.2Å; F167-W220 HydrophobicContact CD1-CE3 4.5Å; F167-W220 HydrophobicContact CD1-CZ3 4.04Å; F167-W220 HydrophobicContact CE1-CE3 4.08Å; F167-W220 AromaticContact CE1-CZ3 3.81Å; F167-W220 HydrophobicContact CE1-CZ3 3.81Å; C216-W220 PolarHBondContact O-N 3.11Å; L217-W220 CarbonylContact O-C 3.47Å; L217-W220 PolarHBondContact O-N 2.9Å; L217-W220 VanDerWaalsContact O-N 3.07Å
221	E	85.5	Confident	70.2	Confident	119 Å²	119	101.3 Å²	101.3	56%	0.556	49%	0.486	S	S	*	.	S	Bend	trans	-89.4	-5.8	170.3	-70	177.3	178.1	0	0	112.7	L217 N218 M223	L217-E221 WeakPolarHBondContact O-CB 3.34Å; L217-E221 WeakPolarHBondContact O-CG 3.43Å; L217-E221 PolarHBondContact O-N 3.14Å; N218-E221 CarbonylContact O-C 3.59Å; E221-M223 VanDerWaalsContact C-N 3.33Å; E221-M223 PolarHBondContact O-N 3Å
222	A	79.1	Confident	67.6	Low	48 Å²	48	99.7 Å²	99.7	40%	0.397	49%	0.485	S	S	.	.			trans	-71.1	84.9	177.1	0	0	0	0	0	111.3	N218 N224	N218-A222 WeakPolarHBondContact O-CB 3.32Å; N218-A222 PolarHBondContact O-N 2.99Å; A222-N224 PolarHBondContact O-N 3.13Å
223	M	62.9	Low	65.3	Low	134 Å²	134	104.6 Å²	104.6	66%	0.66	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-57.8	121	151.1	-63.3	-177.7	-69.3	0	0	107.4	E221 D225	E221-M223 VanDerWaalsContact C-N 3.33Å; E221-M223 PolarHBondContact O-N 3Å; M223-D225 PolarHBondContact O-N 3.38Å
224	N	55.6	Low	63.3	Low	60 Å²	60	107.7 Å²	107.7	32%	0.321	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-59.4	131.1	166	-72.6	-35.4	0	0	0	107.5	D153 K168 A222 L226	D153-N224 PolarHBondContact OD2-ND2 3.31Å; K168-N224 WeakPolarHBondContact CE-ND2 3.39Å; K168-N224 PolarHBondContact NZ-ND2 3.03Å; A222-N224 PolarHBondContact O-N 3.13Å; N224-L226 PolarHBondContact O-N 3.01Å
225	D	42.7	Very low	61.4	Low	158 Å²	158	101.8 Å²	101.8	85%	0.845	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-49.7	134.7	173	-92.9	-49.9	0	0	0	109.3	M223 E227	M223-D225 PolarHBondContact O-N 3.38Å; D225-E227 VanDerWaalsContact C-N 3.26Å; D225-E227 PolarHBondContact O-N 3.46Å
226	L	44.2	Very low	59.7	Low	128 Å²	128	101.9 Å²	101.9	67%	0.67	54%	0.539	S	S	*	.			trans	-69	86.5	179.5	-80.5	79.9	0	0	0	110.2	N224 S228	N224-L226 PolarHBondContact O-N 3.01Å; L226-S228 PolarHBondContact O-N 3.41Å; L226-S228 PolarHBondContact O-OG 3.37Å
227	E	40.1	Very low	58.2	Low	174 Å²	174	104.3 Å²	104.3	81%	0.813	56%	0.556	S	S	*	*			trans	-65	49.5	144.1	-67.8	-151.5	151.3	0	0	110.4	D225 V229	D225-E227 VanDerWaalsContact C-N 3.26Å; D225-E227 PolarHBondContact O-N 3.46Å; E227-V229 PolarHBondContact O-N 3.5Å
228	S	41.4	Very low	56.8	Low	70 Å²	70	107 Å²	107	49%	0.49	58%	0.577	S	S	.	*			trans	-55.9	84.6	144.3	59.8	0	0	0	0	107.5	L226 R230	L226-S228 PolarHBondContact O-N 3.41Å; L226-S228 PolarHBondContact O-OG 3.37Å; S228-R230 PolarHBondContact O-N 2.9Å
229	V	38.9	Very low	55.5	Low	108 Å²	108	107.8 Å²	107.8	66%	0.655	59%	0.585	S	S	*	*			trans	-64.1	85.1	172.1	-179.1	0	0	0	0	107	E227 R231 V232	E227-V229 PolarHBondContact O-N 3.5Å; V229-R231 PolarHBondContact O-N 3.36Å; V229-V232 HydrophobicContact CG1-CG2 4.5Å
230	R	40	Very low	54.6	Low	225 Å²	225	110.4 Å²	110.4	85%	0.849	60%	0.6	S	S	*	*			trans	-45.7	113.3	171.6	-73	179.8	175.7	173.6	-0.3	106.6	S228 V232	S228-R230 PolarHBondContact O-N 2.9Å; R230-V232 WeakPolarHBondContact O-CG2 3.36Å; R230-V232 PolarHBondContact O-N 3.02Å
231	R	43.3	Very low	54.1	Low	224 Å²	224	114.6 Å²	114.6	85%	0.845	62%	0.616	S	S	*	*			trans	-37.7	98.9	-170.3	-70.7	-179.2	177.9	168.4	-1.2	111.5	V229 S233	V229-R231 PolarHBondContact O-N 3.36Å; R231-S233 PolarHBondContact O-N 2.98Å
232	V	38.1	Very low	53.4	Low	105 Å²	105	113.2 Å²	113.2	64%	0.636	62%	0.616	S	S	*	*			trans	-76.3	79.2	172.3	-175.3	0	0	0	0	105.3	V229 R230 N234	V229-V232 HydrophobicContact CG1-CG2 4.5Å; R230-V232 WeakPolarHBondContact O-CG2 3.36Å; R230-V232 PolarHBondContact O-N 3.02Å; V232-N234 PolarHBondContact O-N 3.26Å
233	S	45	Very low	53.3	Low	110 Å²	110	114.1 Å²	114.1	77%	0.769	62%	0.619	S	S	*	*			trans	-75.9	63.6	-168.8	-171.3	0	0	0	0	111	R231 G235	R231-S233 PolarHBondContact O-N 2.98Å; S233-G235 PolarHBondContact O-N 3.34Å
234	N	46.9	Very low	54.3	Low	136 Å²	136	109.4 Å²	109.4	73%	0.727	60%	0.597	S	S	*	*			trans	-75.6	65.6	176.5	-77.7	0.1	0	0	0	111.2	V232 E236	V232-N234 PolarHBondContact O-N 3.26Å; N234-E236 VanDerWaalsContact C-N 3.28Å; N234-E236 PolarHBondContact O-N 3.29Å
235	G	49.8	Very low	55.5	Low	74 Å²	74	108.2 Å²	108.2	76%	0.763	59%	0.589	S	S	*	*			trans	63.6	5.7	150.5	0	0	0	0	0	119.9	S233 S237	S233-G235 PolarHBondContact O-N 3.34Å; G235-S237 PolarHBondContact O-N 3.48Å
236	E	52.3	Low	57.1	Low	100 Å²	100	109.5 Å²	109.5	47%	0.467	58%	0.582	S	S	.	*			trans	-56.7	134	172.2	-68	-168.8	138.1	0	0	110.4	N234 Y284	N234-E236 VanDerWaalsContact C-N 3.28Å; N234-E236 PolarHBondContact O-N 3.29Å; E236-Y284 PolarHBondContact OE1-OH 3.23Å; E236-Y284 PolarHBondContact OE2-OH 2.96Å
237	S	58.4	Low	58.9	Low	51 Å²	51	106.5 Å²	106.5	36%	0.357	57%	0.566	S	S	.	*			trans	-72	151	174	91	0	0	0	0	109.8	G235 V239 D240 R241	G235-S237 PolarHBondContact O-N 3.48Å; S237-V239 PolarHBondContact O-N 3.19Å; S237-V239 VanDerWaalsContact O-N 3.09Å; S237-V239 PolarHBondContact OG-N 3.03Å; S237-D240 WeakPolarHBondContact CB-OD2 3.48Å; S237-D240 PolarHBondContact N-OD2 2.96Å; S237-D240 PolarHBondContact O-N 2.82Å; S237-D240 PolarHBondContact OG-N 3.14Å; S237-D240 PolarHBondContact OG-OD2 2.98Å; S237-R241 PolarHBondContact O-N 3.3Å
238	S	59.5	Low	61.1	Low	96 Å²	96	98.2 Å²	98.2	67%	0.671	53%	0.528	S	S	*	.	H	α-helix	trans	-64.7	-14.8	177.7	63.4	0	0	0	0	113.2	V242	S238-V242 VanDerWaalsContact O-CG2 3.25Å; S238-V242 WeakPolarHBondContact O-CG2 3.41Å; S238-V242 PolarHBondContact O-N 2.84Å
239	V	62.7	Low	62.9	Low	100 Å²	100	97.3 Å²	97.3	61%	0.606	52%	0.515	S	S	*	.	H	α-helix	trans	-81.5	-42.8	175.9	-176.8	0	0	0	0	110.7	S237 S243	S237-V239 PolarHBondContact O-N 3.19Å; S237-V239 VanDerWaalsContact O-N 3.09Å; S237-V239 PolarHBondContact OG-N 3.03Å; V239-S243 WeakPolarHBondContact O-CB 3.39Å; V239-S243 PolarHBondContact O-N 2.84Å; V239-S243 VanDerWaalsContact O-N 3.1Å; V239-S243 PolarHBondContact O-OG 3.34Å
240	D	70.8	Confident	64.7	Low	86 Å²	86	97.7 Å²	97.7	46%	0.46	51%	0.509	S	S	.	.	H	α-helix	trans	-64.8	-46.1	176.3	-53.5	-53.1	0	0	0	109.9	S237 V242 S243 N244	S237-D240 WeakPolarHBondContact CB-OD2 3.48Å; S237-D240 PolarHBondContact N-OD2 2.96Å; S237-D240 PolarHBondContact O-N 2.82Å; S237-D240 PolarHBondContact OG-N 3.14Å; S237-D240 PolarHBondContact OG-OD2 2.98Å; D240-V242 PolarHBondContact O-N 2.89Å; D240-S243 WeakPolarHBondContact O-CB 3.37Å; D240-S243 PolarHBondContact O-N 3.27Å; D240-S243 VanDerWaalsContact O-N 3.11Å; D240-N244 VanDerWaalsContact O-CG 3.29Å; D240-N244 PolarHBondContact O-N 3.09Å
241	R	77.9	Confident	66.8	Low	101 Å²	101	89.7 Å²	89.7	38%	0.381	48%	0.482	S	S	.	.	H	α-helix	trans	-57.1	-47.5	178	-175.4	-177.1	167.4	109.6	13.6	112.8	S237 S243 N244 E245 Y284	S237-R241 PolarHBondContact O-N 3.3Å; R241-S243 VanDerWaalsContact C-N 3.28Å; R241-S243 PolarHBondContact O-N 3.46Å; R241-N244 WeakPolarHBondContact O-CB 3.43Å; R241-N244 PolarHBondContact O-N 2.92Å; R241-E245 HydrophobicContact CG-CG 4.47Å; R241-E245 IonicContact CZ-OE1 2.76Å; R241-E245 IonicContact NE-OE1 3.07Å; R241-E245 PolarHBondContact NE-OE1 3.15Å; R241-E245 IonicContact NH2-OE1 3.62Å; R241-E245 PolarHBondContact NH2-OE1 3Å; R241-E245 WeakPolarHBondContact O-CB 3.47Å; R241-E245 WeakPolarHBondContact O-CG 3.46Å; R241-E245 PolarHBondContact O-N 2.73Å; R241-Y284 HydrophobicContact CG-CE1 3.98Å
242	V	72.5	Confident	68.8	Low	90 Å²	90	79 Å²	79	55%	0.545	44%	0.441	S	S	.	.	H	α-helix	trans	-66.9	-31.9	178.5	168.9	0	0	0	0	111.6	S238 D240 R246	S238-V242 VanDerWaalsContact O-CG2 3.25Å; S238-V242 WeakPolarHBondContact O-CG2 3.41Å; S238-V242 PolarHBondContact O-N 2.84Å; D240-V242 PolarHBondContact O-N 2.89Å; V242-R246 WeakPolarHBondContact O-CB 3.34Å; V242-R246 PolarHBondContact O-N 3.44Å
243	S	76.4	Confident	70.7	Confident	67 Å²	67	77.8 Å²	77.8	47%	0.469	43%	0.425	S	S	.	.	H	α-helix	trans	-68	-41.7	174.2	-55.7	0	0	0	0	111.5	V239 D240 R241 R246 L247	V239-S243 WeakPolarHBondContact O-CB 3.39Å; V239-S243 PolarHBondContact O-N 2.84Å; V239-S243 VanDerWaalsContact O-N 3.1Å; V239-S243 PolarHBondContact O-OG 3.34Å; D240-S243 WeakPolarHBondContact O-CB 3.37Å; D240-S243 PolarHBondContact O-N 3.27Å; D240-S243 VanDerWaalsContact O-N 3.11Å; R241-S243 VanDerWaalsContact C-N 3.28Å; R241-S243 PolarHBondContact O-N 3.46Å; S243-R246 PolarHBondContact O-N 3.02Å; S243-L247 PolarHBondContact O-N 3.13Å; S243-L247 VanDerWaalsContact O-N 3.07Å
244	N	83.1	Confident	72.2	Confident	35 Å²	35	75.9 Å²	75.9	19%	0.187	41%	0.407	C	S	.	.	H	α-helix	trans	-65.3	-47.7	174.7	-69.9	-13.9	0	0	0	111.8	D240 R241 R246 L247 I248 F279 Y284	D240-N244 VanDerWaalsContact O-CG 3.29Å; D240-N244 PolarHBondContact O-N 3.09Å; R241-N244 WeakPolarHBondContact O-CB 3.43Å; R241-N244 PolarHBondContact O-N 2.92Å; N244-R246 VanDerWaalsContact C-N 3.3Å; N244-R246 PolarHBondContact O-N 2.76Å; N244-L247 PolarHBondContact O-N 2.83Å; N244-L247 VanDerWaalsContact O-N 3.15Å; N244-I248 WeakPolarHBondContact O-CB 3.42Å; N244-I248 VanDerWaalsContact O-CG1 3.27Å; N244-I248 WeakPolarHBondContact O-CG1 3.39Å; N244-I248 PolarHBondContact O-N 2.9Å; N244-F279 HydrophobicContact CB-CE1 4.15Å; N244-F279 HydrophobicContact CB-CE2 4.44Å; N244-F279 HydrophobicContact CB-CZ 3.68Å; N244-Y284 HydrophobicContact CB-CE1 3.83Å; N244-Y284 PolarHBondContact ND2-OH 2.86Å
245	E	82.3	Confident	74	Confident	35 Å²	35	69.4 Å²	69.4	16%	0.164	37%	0.372	C	S	.	.	H	α-helix	trans	-57.1	-42.2	175.9	-75.9	171.3	170.4	0	0	111.3	R241 K249 Y284 Y287	R241-E245 HydrophobicContact CG-CG 4.47Å; R241-E245 IonicContact CZ-OE1 2.76Å; R241-E245 IonicContact NE-OE1 3.07Å; R241-E245 PolarHBondContact NE-OE1 3.15Å; R241-E245 IonicContact NH2-OE1 3.62Å; R241-E245 PolarHBondContact NH2-OE1 3Å; R241-E245 WeakPolarHBondContact O-CB 3.47Å; R241-E245 WeakPolarHBondContact O-CG 3.46Å; R241-E245 PolarHBondContact O-N 2.73Å; E245-K249 WeakPolarHBondContact O-CB 3.49Å; E245-K249 PolarHBondContact O-N 3.39Å; E245-Y284 HydrophobicContact CG-CD1 3.89Å; E245-Y284 HydrophobicContact CG-CE1 3.89Å; E245-Y287 HydrophobicContact CB-CD1 4.24Å; E245-Y287 HydrophobicContact CB-CE1 3.66Å; E245-Y287 HydrophobicContact CB-CE2 4.27Å; E245-Y287 HydrophobicContact CG-CD1 3.87Å; E245-Y287 HydrophobicContact CG-CD2 4.3Å; E245-Y287 HydrophobicContact CG-CE1 3.83Å; E245-Y287 HydrophobicContact CG-CE2 4.28Å; E245-Y287 HydrophobicContact CG-CG 4.11Å; E245-Y287 WeakPolarHBondContact O-CE1 3.26Å; E245-Y287 PolarHBondContact O-OH 2.93Å
246	R	75	Confident	75.3	Confident	184 Å²	184	66 Å²	66	69%	0.694	34%	0.336	S	S	*	.	H	α-helix	trans	-61.9	-46.1	173.8	179	177.3	175	156.9	1.4	112.8	V242 S243 N244 K249 E250	V242-R246 WeakPolarHBondContact O-CB 3.34Å; V242-R246 PolarHBondContact O-N 3.44Å; S243-R246 PolarHBondContact O-N 3.02Å; N244-R246 VanDerWaalsContact C-N 3.3Å; N244-R246 PolarHBondContact O-N 2.76Å; R246-K249 PolarHBondContact O-N 2.59Å; R246-E250 PolarHBondContact O-N 3.33Å
247	L	82.9	Confident	76.3	Confident	66 Å²	66	65.9 Å²	65.9	35%	0.346	33%	0.331	S	S	.	.	H	α-helix	trans	-66.6	-39.6	-178.7	-175.2	58.9	0	0	0	111.8	S243 N244 E250 H251 I277	S243-L247 PolarHBondContact O-N 3.13Å; S243-L247 VanDerWaalsContact O-N 3.07Å; N244-L247 PolarHBondContact O-N 2.83Å; N244-L247 VanDerWaalsContact O-N 3.15Å; L247-E250 PolarHBondContact O-N 2.98Å; L247-H251 PolarHBondContact O-CD2 3.34Å; L247-H251 PolarHBondContact O-N 3.2Å; L247-H251 VanDerWaalsContact O-N 3.12Å; L247-I277 HydrophobicContact CD2-CG2 3.72Å; L247-I277 HydrophobicContact CG-CG2 4.14Å
248	I	85.9	Confident	77	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-57.3	-52.9	169.8	-70.9	165.8	0	0	0	110.1	N244 E250 H251 L252 L273 I277 F279 M281 Y284 Y287 I288	N244-I248 WeakPolarHBondContact O-CB 3.42Å; N244-I248 VanDerWaalsContact O-CG1 3.27Å; N244-I248 WeakPolarHBondContact O-CG1 3.39Å; N244-I248 PolarHBondContact O-N 2.9Å; I248-E250 PolarHBondContact O-N 2.55Å; I248-H251 PolarHBondContact O-N 3.12Å; I248-L252 WeakPolarHBondContact O-CB 3.42Å; I248-L252 PolarHBondContact O-N 2.86Å; I248-L273 HydrophobicContact CG2-CD1 4.3Å; I248-I277 HydrophobicContact CG1-CD1 4.06Å; I248-F279 HydrophobicContact CD1-CE2 4.02Å; I248-F279 HydrophobicContact CD1-CZ 3.92Å; I248-F279 HydrophobicContact CG1-CE2 4.46Å; I248-F279 HydrophobicContact CG1-CZ 4.04Å; I248-M281 HydrophobicContact CD1-SD 3.76Å; I248-M281 HydrophobicContact CG1-CE 4.2Å; I248-M281 HydrophobicContact CG1-SD 3.83Å; I248-Y284 HydrophobicContact CD1-CD1 3.64Å; I248-Y284 HydrophobicContact CD1-CD2 4.27Å; I248-Y284 HydrophobicContact CD1-CE1 4.39Å; I248-Y284 HydrophobicContact CD1-CG 3.58Å; I248-Y287 HydrophobicContact CB-CE1 4.27Å; I248-Y287 HydrophobicContact CG2-CD1 4.16Å; I248-Y287 HydrophobicContact CG2-CE1 3.99Å; I248-I288 HydrophobicContact CG2-CD1 4.21Å; I248-I288 HydrophobicContact CG2-CG1 3.59Å
249	K	78.9	Confident	78	Confident	51 Å²	51	66 Å²	66	22%	0.222	32%	0.321	C	S	.	.	H	α-helix	trans	-62.1	-23	-179.9	-169.4	-176.3	179.8	79.6	0	113.4	E245 R246 R253 E291	E245-K249 WeakPolarHBondContact O-CB 3.49Å; E245-K249 PolarHBondContact O-N 3.39Å; R246-K249 PolarHBondContact O-N 2.59Å; K249-R253 WeakPolarHBondContact O-CG 3.18Å; K249-R253 PolarHBondContact O-NE 2.63Å; K249-E291 WeakPolarHBondContact CD-OE1 3.2Å; K249-E291 IonicContact NZ-OE1 2.69Å; K249-E291 PolarHBondContact NZ-OE1 3.4Å; K249-E291 IonicContact NZ-OE2 2.67Å; K249-E291 PolarHBondContact NZ-OE2 3.09Å
250	E	77.4	Confident	78.6	Confident	115 Å²	115	65.3 Å²	65.3	54%	0.537	31%	0.313	S	S	.	.	H	α-helix	trans	-77.5	-57.8	174.2	-167.3	165.3	154.4	0	0	111.3	R246 L247 I248 L252 R253 D254	R246-E250 PolarHBondContact O-N 3.33Å; L247-E250 PolarHBondContact O-N 2.98Å; I248-E250 PolarHBondContact O-N 2.55Å; E250-L252 VanDerWaalsContact C-N 3.34Å; E250-L252 PolarHBondContact O-N 3.49Å; E250-R253 PolarHBondContact O-N 3.41Å; E250-D254 PolarHBondContact O-N 3.24Å
251	H	83.9	Confident	78.9	Confident	58 Å²	58	61.8 Å²	61.8	27%	0.269	29%	0.294	S	S	.	.	H	α-helix	trans	-67.2	-31.3	180	-71.1	-66.7	0	0	0	113.6	L247 I248 D254 I255 L273 I277	L247-H251 PolarHBondContact O-CD2 3.34Å; L247-H251 PolarHBondContact O-N 3.2Å; L247-H251 VanDerWaalsContact O-N 3.12Å; I248-H251 PolarHBondContact O-N 3.12Å; H251-D254 WeakPolarHBondContact O-CB 3.38Å; H251-D254 PolarHBondContact O-N 2.85Å; H251-I255 VanDerWaalsContact O-CG1 3.29Å; H251-I255 WeakPolarHBondContact O-CG1 3.37Å; H251-I255 PolarHBondContact O-N 2.86Å; H251-L273 HydrophobicContact CB-CD2 3.96Å; H251-I277 HydrophobicContact CB-CD1 4.11Å; H251-I277 HydrophobicContact CB-CG1 4.35Å
252	L	84.8	Confident	78.7	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59.3	-48.2	174	173.8	59.9	0	0	0	111.3	I248 E250 D254 I255 M256 V269 L273 E291 I292	I248-L252 WeakPolarHBondContact O-CB 3.42Å; I248-L252 PolarHBondContact O-N 2.86Å; E250-L252 VanDerWaalsContact C-N 3.34Å; E250-L252 PolarHBondContact O-N 3.49Å; L252-D254 PolarHBondContact O-N 3.09Å; L252-I255 PolarHBondContact O-N 3.06Å; L252-M256 HydrophobicContact CD1-CG 4.08Å; L252-M256 HydrophobicContact CD1-SD 3.64Å; L252-M256 HydrophobicContact CG-SD 3.97Å; L252-M256 WeakPolarHBondContact O-CG 3.46Å; L252-M256 PolarHBondContact O-N 2.76Å; L252-V269 HydrophobicContact CD1-CG1 3.34Å; L252-L273 HydrophobicContact CB-CD2 4.23Å; L252-L273 HydrophobicContact CD1-CD1 4.48Å; L252-E291 HydrophobicContact CD2-CB 3.58Å; L252-I292 HydrophobicContact CD1-CD1 4.49Å; L252-I292 HydrophobicContact CD1-CG1 3.67Å; L252-I292 HydrophobicContact CD2-CG1 4.12Å; L252-I292 HydrophobicContact CG-CG1 4.48Å
253	R	79.1	Confident	79	Confident	79 Å²	79	57.3 Å²	57.3	30%	0.298	28%	0.275	S	S	.	.	H	α-helix	trans	-71.5	-16.2	177.7	-70	-175.9	-66.1	166	1.7	112.7	K249 E250 R257 T295	K249-R253 WeakPolarHBondContact O-CG 3.18Å; K249-R253 PolarHBondContact O-NE 2.63Å; E250-R253 PolarHBondContact O-N 3.41Å; R253-R257 VanDerWaalsContact C-NH1 3.35Å; R253-R257 WeakPolarHBondContact O-CG 3.5Å; R253-R257 PolarHBondContact O-NH1 3.15Å; R253-T295 HydrophobicContact CG-CG2 3.79Å; R253-T295 WeakPolarHBondContact CG-OG1 3.49Å
254	D	75.9	Confident	79.3	Confident	70 Å²	70	54.4 Å²	54.4	37%	0.374	25%	0.254	S	S	.	.	H	α-helix	trans	-76.6	-53.7	166	-174.2	67.5	0	0	0	110.9	E250 H251 L252 M256 R257 T258 R276	E250-D254 PolarHBondContact O-N 3.24Å; H251-D254 WeakPolarHBondContact O-CB 3.38Å; H251-D254 PolarHBondContact O-N 2.85Å; L252-D254 PolarHBondContact O-N 3.09Å; D254-M256 VanDerWaalsContact C-N 3.29Å; D254-M256 PolarHBondContact O-N 3.1Å; D254-R257 CarbonylContact O-C 3.49Å; D254-R257 WeakPolarHBondContact O-CA 3.35Å; D254-R257 WeakPolarHBondContact O-CB 3.39Å; D254-R257 PolarHBondContact O-N 2.73Å; D254-T258 WeakPolarHBondContact O-CG2 3.45Å; D254-T258 PolarHBondContact O-N 3.04Å; D254-T258 PolarHBondContact O-OG1 3.26Å; D254-R276 IonicContact OD2-CZ 2.69Å; D254-R276 IonicContact OD2-NH1 3.86Å; D254-R276 PolarHBondContact OD2-NH1 3.43Å; D254-R276 IonicContact OD2-NH2 3.23Å
255	I	83.5	Confident	79.4	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-49.1	-50.7	176.5	-66.1	159.7	0	0	0	110.8	H251 L252 R257 T258 E259 L264 V269 N272 L273 R276	H251-I255 VanDerWaalsContact O-CG1 3.29Å; H251-I255 WeakPolarHBondContact O-CG1 3.37Å; H251-I255 PolarHBondContact O-N 2.86Å; L252-I255 PolarHBondContact O-N 3.06Å; I255-R257 PolarHBondContact O-N 3.07Å; I255-T258 PolarHBondContact O-N 3.37Å; I255-T258 VanDerWaalsContact O-N 3.15Å; I255-T258 PolarHBondContact O-OG1 2.75Å; I255-E259 HydrophobicContact CG2-CG 3.84Å; I255-E259 WeakPolarHBondContact O-CB 3.4Å; I255-E259 WeakPolarHBondContact O-CG 3.34Å; I255-E259 PolarHBondContact O-N 3.11Å; I255-L264 HydrophobicContact CG2-CD1 4.4Å; I255-L264 HydrophobicContact CG2-CD2 4.38Å; I255-V269 HydrophobicContact CG2-CG2 4.44Å; I255-N272 HydrophobicContact CD1-CB 3.71Å; I255-N272 HydrophobicContact CG1-CB 4.2Å; I255-L273 HydrophobicContact CD1-CD2 3.76Å; I255-L273 HydrophobicContact CD1-CG 3.81Å; I255-R276 VanDerWaalsContact CG1-CZ 3.47Å
256	M	79.1	Confident	79.4	Confident	2 Å²	2	52 Å²	52	1%	0.01	24%	0.243	C	C	.	.	H	α-helix	trans	-71.1	-8.6	-178.3	-65.9	178.7	68.4	0	0	114.7	L252 D254 L264 I292 T295 M296	L252-M256 HydrophobicContact CD1-CG 4.08Å; L252-M256 HydrophobicContact CD1-SD 3.64Å; L252-M256 HydrophobicContact CG-SD 3.97Å; L252-M256 WeakPolarHBondContact O-CG 3.46Å; L252-M256 PolarHBondContact O-N 2.76Å; D254-M256 VanDerWaalsContact C-N 3.29Å; D254-M256 PolarHBondContact O-N 3.1Å; M256-L264 HydrophobicContact CG-CD2 4.49Å; M256-I292 HydrophobicContact CE-CG2 4.26Å; M256-I292 WeakPolarHBondContact CE-O 3.39Å; M256-I292 HydrophobicContact SD-CB 4.47Å; M256-I292 HydrophobicContact SD-CG1 4.25Å; M256-I292 HydrophobicContact SD-CG2 4.46Å; M256-T295 HydrophobicContact CB-CG2 4.19Å; M256-T295 HydrophobicContact CE-CG2 3.68Å; M256-T295 HydrophobicContact SD-CG2 3.62Å; M256-M296 HydrophobicContact CE-CG 3.38Å; M256-M296 HydrophobicContact CE-SD 4.45Å
257	R	72.3	Confident	79.8	Confident	97 Å²	97	50.4 Å²	50.4	37%	0.366	24%	0.241	S	C	.	.	H	α-helix	trans	-99.3	-23.4	169.4	-73.1	-174.8	-163.8	108.7	-16.4	113.3	R253 D254 I255 S421 I422	R253-R257 VanDerWaalsContact C-NH1 3.35Å; R253-R257 WeakPolarHBondContact O-CG 3.5Å; R253-R257 PolarHBondContact O-NH1 3.15Å; D254-R257 CarbonylContact O-C 3.49Å; D254-R257 WeakPolarHBondContact O-CA 3.35Å; D254-R257 WeakPolarHBondContact O-CB 3.39Å; D254-R257 PolarHBondContact O-N 2.73Å; I255-R257 PolarHBondContact O-N 3.07Å; R257-S421 PolarHBondContact NE-O 2.94Å; R257-S421 PolarHBondContact NE-OG 3.2Å; R257-S421 PolarHBondContact NH2-OG 3.48Å; R257-I422 HydrophobicContact CG-CB 4.46Å; R257-I422 HydrophobicContact CG-CG2 3.75Å
258	T	73.3	Confident	79.9	Confident	67 Å²	67	51.7 Å²	51.7	41%	0.411	25%	0.247	S	C	.	.	H	α-helix	trans	-95.6	-35.6	-177.1	58.9	0	0	0	0	113.4	D254 I255	D254-T258 WeakPolarHBondContact O-CG2 3.45Å; D254-T258 PolarHBondContact O-N 3.04Å; D254-T258 PolarHBondContact O-OG1 3.26Å; I255-T258 PolarHBondContact O-N 3.37Å; I255-T258 VanDerWaalsContact O-N 3.15Å; I255-T258 PolarHBondContact O-OG1 2.75Å
259	E	80.9	Confident	79.9	Confident	84 Å²	84	51.7 Å²	51.7	39%	0.393	25%	0.247	S	C	.	.	S	Bend	trans	-88.1	159.9	-177.3	-57.3	-55.9	149.6	0	0	112.6	I255 L264	I255-E259 HydrophobicContact CG2-CG 3.84Å; I255-E259 WeakPolarHBondContact O-CB 3.4Å; I255-E259 WeakPolarHBondContact O-CG 3.34Å; I255-E259 PolarHBondContact O-N 3.11Å; E259-L264 HydrophobicContact CB-CD1 4.14Å; E259-L264 HydrophobicContact CB-CD2 4.22Å; E259-L264 HydrophobicContact CG-CD1 4.26Å
260	D	75.3	Confident	80.2	Confident	85 Å²	85	50 Å²	50	46%	0.455	24%	0.239	S	C	.	.			trans	-85	114	176.1	177.7	16	0	0	0	111.7	D262 N263 L264	D260-D262 PolarHBondContact O-N 2.95Å; D260-D262 PolarHBondContact OD1-N 2.93Å; D260-D262 VanDerWaalsContact OD1-N 3.11Å; D260-N263 CarbonylContact O-C 3.39Å; D260-N263 PolarHBondContact O-N 3.01Å; D260-N263 PolarHBondContact OD2-ND2 3.24Å; D260-L264 WeakPolarHBondContact O-CB 3.28Å; D260-L264 PolarHBondContact O-N 2.88Å
261	L	77	Confident	80.7	Confident	12 Å²	12	48.5 Å²	48.5	6%	0.063	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-20.3	-177.9	-57.7	179.9	0	0	0	113.9	Q173 N263 L264 M296 M299 M388	Q173-L261 HydrophobicContact CB-CB 4.33Å; Q173-L261 WeakPolarHBondContact CB-O 3.48Å; Q173-L261 PolarHBondContact N-O 2.9Å; Q173-L261 VanDerWaalsContact N-O 3.14Å; L261-N263 PolarHBondContact O-N 3.33Å; L261-L264 HydrophobicContact CD2-CD2 3.86Å; L261-M296 HydrophobicContact CD1-CE 4.35Å; L261-M299 HydrophobicContact CD1-CE 3.94Å; L261-M388 HydrophobicContact CD1-CE 4.4Å
262	D	72.8	Confident	80.8	Confident	25 Å²	25	48.1 Å²	48.1	13%	0.134	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-14.4	172.7	-80.3	9.2	0	0	0	111.7	V35 K36 S171 Q173 D260 K387	V35-D262 WeakPolarHBondContact CG1-OD1 3.31Å; K36-D262 HydrophobicContact CB-CB 3.97Å; S171-D262 WeakPolarHBondContact CB-O 3.47Å; Q173-D262 WeakPolarHBondContact CG-OD1 3.29Å; D260-D262 PolarHBondContact O-N 2.95Å; D260-D262 PolarHBondContact OD1-N 2.93Å; D260-D262 VanDerWaalsContact OD1-N 3.11Å; D262-K387 IonicContact OD1-NZ 3.94Å; D262-K387 IonicContact OD2-NZ 3.42Å; D262-K387 PolarHBondContact OD2-NZ 3.45Å
263	N	78.9	Confident	81	Confident	72 Å²	72	48.1 Å²	48.1	39%	0.385	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.8	-20.7	-178.5	-75.3	-75.1	0	0	0	114.6	K36 D260 L261	K36-N263 PolarHBondContact NZ-OD1 2.92Å; D260-N263 CarbonylContact O-C 3.39Å; D260-N263 PolarHBondContact O-N 3.01Å; D260-N263 PolarHBondContact OD2-ND2 3.24Å; L261-N263 PolarHBondContact O-N 3.33Å
264	L	83	Confident	81.4	Confident	6 Å²	6	48 Å²	48	3%	0.031	24%	0.241	C	C	.	.			trans	-72.9	141.2	179.1	-172.4	68.5	0	0	0	111.4	S171 M172 I255 M256 E259 D260 L261 M268 V269	S171-L264 CarbonylContact C-O 3.52Å; S171-L264 WeakPolarHBondContact CA-O 3.4Å; M172-L264 HydrophobicContact CG-CB 4.37Å; M172-L264 HydrophobicContact CG-CD2 4.3Å; M172-L264 HydrophobicContact CG-CG 4.2Å; M172-L264 WeakPolarHBondContact CG-O 3.46Å; M172-L264 PolarHBondContact N-O 3.5Å; I255-L264 HydrophobicContact CG2-CD1 4.4Å; I255-L264 HydrophobicContact CG2-CD2 4.38Å; M256-L264 HydrophobicContact CG-CD2 4.49Å; E259-L264 HydrophobicContact CB-CD1 4.14Å; E259-L264 HydrophobicContact CB-CD2 4.22Å; E259-L264 HydrophobicContact CG-CD1 4.26Å; D260-L264 WeakPolarHBondContact O-CB 3.28Å; D260-L264 PolarHBondContact O-N 2.88Å; L261-L264 HydrophobicContact CD2-CD2 3.86Å; L264-M268 HydrophobicContact CD1-CB 3.95Å; L264-V269 HydrophobicContact CD1-CG2 3.85Å; L264-V269 HydrophobicContact CD2-CG2 3.69Å; L264-V269 HydrophobicContact CG-CG2 3.73Å
265	T	85.3	Confident	82	Confident	16 Å²	16	49.5 Å²	49.5	10%	0.098	26%	0.257	C	S	.	.			trans	-125	159.7	169	72.3	0	0	0	0	110.7	V170 K267 M268 V269	V170-T265 WeakPolarHBondContact O-CG2 3.24Å; T265-K267 PolarHBondContact O-N 2.87Å; T265-M268 HydrophobicContact CG2-CE 4.32Å; T265-M268 WeakPolarHBondContact O-CA 3.31Å; T265-M268 WeakPolarHBondContact O-CB 3.4Å; T265-M268 PolarHBondContact O-N 2.69Å; T265-M268 PolarHBondContact OG1-N 3.02Å; T265-V269 PolarHBondContact O-N 3.18Å
266	S	82.9	Confident	82.3	Confident	2 Å²	2	53.8 Å²	53.8	1%	0.014	27%	0.273	C	S	.	.	H	α-helix	trans	-53.7	-38.2	176.1	166.6	0	0	0	0	111.8	G154 M268 V269 H270 D289	G154-S266 VanDerWaalsContact CA-CB 3.5Å; S266-M268 VanDerWaalsContact C-N 3.34Å; S266-M268 PolarHBondContact O-N 2.88Å; S266-V269 WeakPolarHBondContact O-CB 3.47Å; S266-V269 PolarHBondContact O-N 3.47Å; S266-V269 VanDerWaalsContact O-N 3.1Å; S266-H270 PolarHBondContact O-CD2 3.32Å; S266-H270 VanDerWaalsContact O-CD2 3.28Å; S266-H270 PolarHBondContact O-N 3.39Å; S266-H270 PolarHBondContact OG-CD2 3.49Å; S266-D289 WeakPolarHBondContact CB-OD1 3.44Å; S266-D289 PolarHBondContact OG-OD1 3.33Å
267	K	83.5	Confident	82.7	Confident	152 Å²	152	55 Å²	55	66%	0.661	28%	0.28	S	S	*	.	H	α-helix	trans	-58.6	-42.2	173.9	-171.7	176.4	-178	177.1	0	112.8	T265 H270 T271	T265-K267 PolarHBondContact O-N 2.87Å; K267-H270 PolarHBondContact O-N 3.32Å; K267-T271 PolarHBondContact O-N 2.82Å; K267-T271 VanDerWaalsContact O-N 3.09Å; K267-T271 PolarHBondContact O-OG1 3.29Å; K267-T271 VanDerWaalsContact O-OG1 3.14Å
268	M	84.4	Confident	83.1	Confident	93 Å²	93	53.7 Å²	53.7	46%	0.458	30%	0.296	S	S	.	.	H	α-helix	trans	-68.5	-36.7	174	-62	-177.8	-166	0	0	112.2	L264 T265 S266 T271 N272	L264-M268 HydrophobicContact CD1-CB 3.95Å; T265-M268 HydrophobicContact CG2-CE 4.32Å; T265-M268 WeakPolarHBondContact O-CA 3.31Å; T265-M268 WeakPolarHBondContact O-CB 3.4Å; T265-M268 PolarHBondContact O-N 2.69Å; T265-M268 PolarHBondContact OG1-N 3.02Å; S266-M268 VanDerWaalsContact C-N 3.34Å; S266-M268 PolarHBondContact O-N 2.88Å; M268-T271 PolarHBondContact O-N 2.81Å; M268-N272 WeakPolarHBondContact O-CB 3.17Å; M268-N272 PolarHBondContact O-N 2.87Å; M268-N272 PolarHBondContact O-ND2 3.3Å
269	V	86.1	Confident	83.7	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-61.1	-47.3	174.1	175.7	0	0	0	0	110.5	L252 I255 L264 T265 S266 N272 L273 I288 I292	L252-V269 HydrophobicContact CD1-CG1 3.34Å; I255-V269 HydrophobicContact CG2-CG2 4.44Å; L264-V269 HydrophobicContact CD1-CG2 3.85Å; L264-V269 HydrophobicContact CD2-CG2 3.69Å; L264-V269 HydrophobicContact CG-CG2 3.73Å; T265-V269 PolarHBondContact O-N 3.18Å; S266-V269 WeakPolarHBondContact O-CB 3.47Å; S266-V269 PolarHBondContact O-N 3.47Å; S266-V269 VanDerWaalsContact O-N 3.1Å; V269-N272 PolarHBondContact O-N 2.7Å; V269-L273 HydrophobicContact CG1-CD1 3.89Å; V269-L273 HydrophobicContact CG1-CG 4.35Å; V269-L273 WeakPolarHBondContact O-CB 3.42Å; V269-L273 WeakPolarHBondContact O-CG 3.34Å; V269-L273 PolarHBondContact O-N 2.76Å; V269-I288 HydrophobicContact CG1-CG2 4.49Å; V269-I292 HydrophobicContact CB-CD1 4.18Å; V269-I292 HydrophobicContact CG1-CD1 3.88Å; V269-I292 HydrophobicContact CG1-CG1 4.25Å; V269-I292 HydrophobicContact CG2-CD1 4.45Å
270	H	85.5	Confident	83.6	Confident	14 Å²	14	52.4 Å²	52.4	7%	0.065	29%	0.287	C	S	.	.	H	α-helix	trans	-56.2	-52.1	174.4	-86.6	-70.9	0	0	0	112.6	S266 K267 N272 L273 E274 K285 I288 D289	S266-H270 PolarHBondContact O-CD2 3.32Å; S266-H270 VanDerWaalsContact O-CD2 3.28Å; S266-H270 PolarHBondContact O-N 3.39Å; S266-H270 PolarHBondContact OG-CD2 3.49Å; K267-H270 PolarHBondContact O-N 3.32Å; H270-N272 VanDerWaalsContact C-N 3.28Å; H270-N272 PolarHBondContact O-N 3.03Å; H270-L273 PolarHBondContact O-N 3.28Å; H270-L273 VanDerWaalsContact O-N 3.15Å; H270-E274 WeakPolarHBondContact O-CG 3.43Å; H270-E274 PolarHBondContact O-N 3.17Å; H270-K285 PolarHBondContact CD2-NZ 3.11Å; H270-K285 VanDerWaalsContact CD2-NZ 3.31Å; H270-K285 PolarHBondContact NE2-NZ 3.36Å; H270-I288 VanDerWaalsContact CE1-CD1 3.5Å; H270-I288 WeakPolarHBondContact CE1-CD1 3.39Å; H270-D289 IonicContact NE2-OD2 3.14Å
271	T	86.9	Confident	84	Confident	84 Å²	84	48.4 Å²	48.4	52%	0.515	27%	0.265	S	S	.	.	H	α-helix	trans	-61.9	-36.1	179.2	-56.1	0	0	0	0	112.2	K267 M268 S275	K267-T271 PolarHBondContact O-N 2.82Å; K267-T271 VanDerWaalsContact O-N 3.09Å; K267-T271 PolarHBondContact O-OG1 3.29Å; K267-T271 VanDerWaalsContact O-OG1 3.14Å; M268-T271 PolarHBondContact O-N 2.81Å; T271-S275 WeakPolarHBondContact O-CB 3.21Å; T271-S275 PolarHBondContact O-N 3.4Å
272	N	85.9	Confident	84.1	Confident	50 Å²	50	56.5 Å²	56.5	27%	0.267	30%	0.295	S	S	.	.	H	α-helix	trans	-68.9	-39	174.1	-83.3	-56.1	0	0	0	112.8	I255 M268 V269 H270 R276	I255-N272 HydrophobicContact CD1-CB 3.71Å; I255-N272 HydrophobicContact CG1-CB 4.2Å; M268-N272 WeakPolarHBondContact O-CB 3.17Å; M268-N272 PolarHBondContact O-N 2.87Å; M268-N272 PolarHBondContact O-ND2 3.3Å; V269-N272 PolarHBondContact O-N 2.7Å; H270-N272 VanDerWaalsContact C-N 3.28Å; H270-N272 PolarHBondContact O-N 3.03Å; N272-R276 VanDerWaalsContact O-CB 3.27Å; N272-R276 WeakPolarHBondContact O-CB 3.4Å; N272-R276 WeakPolarHBondContact O-CD 3.5Å; N272-R276 WeakPolarHBondContact O-CG 3.3Å; N272-R276 PolarHBondContact O-N 2.92Å
273	L	89	Confident	84.6	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-65.7	-46.9	175.2	-73.7	169.7	0	0	0	111.6	I248 H251 L252 I255 V269 H270 S275 R276 I277 M281 I288	I248-L273 HydrophobicContact CG2-CD1 4.3Å; H251-L273 HydrophobicContact CB-CD2 3.96Å; L252-L273 HydrophobicContact CB-CD2 4.23Å; L252-L273 HydrophobicContact CD1-CD1 4.48Å; I255-L273 HydrophobicContact CD1-CD2 3.76Å; I255-L273 HydrophobicContact CD1-CG 3.81Å; V269-L273 HydrophobicContact CG1-CD1 3.89Å; V269-L273 HydrophobicContact CG1-CG 4.35Å; V269-L273 WeakPolarHBondContact O-CB 3.42Å; V269-L273 WeakPolarHBondContact O-CG 3.34Å; V269-L273 PolarHBondContact O-N 2.76Å; H270-L273 PolarHBondContact O-N 3.28Å; H270-L273 VanDerWaalsContact O-N 3.15Å; L273-S275 VanDerWaalsContact C-N 3.33Å; L273-S275 PolarHBondContact O-N 2.75Å; L273-R276 PolarHBondContact O-N 3.29Å; L273-I277 HydrophobicContact CB-CD1 4.49Å; L273-I277 HydrophobicContact CD2-CD1 3.84Å; L273-I277 VanDerWaalsContact O-CB 3.3Å; L273-I277 WeakPolarHBondContact O-CB 3.32Å; L273-I277 WeakPolarHBondContact O-CG1 3.29Å; L273-I277 PolarHBondContact O-N 2.85Å; L273-M281 HydrophobicContact CB-CE 4.32Å; L273-M281 HydrophobicContact CB-CG 4.21Å; L273-M281 HydrophobicContact CB-SD 4.26Å; L273-I288 HydrophobicContact CD1-CD1 3.88Å; L273-I288 HydrophobicContact CD1-CG1 4.01Å; L273-I288 HydrophobicContact CD1-CG2 3.9Å
274	E	88.3	Confident	84.7	Confident	76 Å²	76	55.3 Å²	55.3	36%	0.355	29%	0.292	S	S	.	.	H	α-helix	trans	-57.4	-45.8	175.2	-72.2	178.3	163.1	0	0	111.3	H270 G278 M281	H270-E274 WeakPolarHBondContact O-CG 3.43Å; H270-E274 PolarHBondContact O-N 3.17Å; E274-G278 WeakPolarHBondContact O-CA 3.42Å; E274-G278 PolarHBondContact O-N 3.32Å; E274-M281 HydrophobicContact CB-CG 4.42Å; E274-M281 HydrophobicContact CG-CB 3.77Å; E274-M281 HydrophobicContact CG-CG 3.37Å
275	S	88.6	Confident	84.5	Confident	102 Å²	102	57.9 Å²	57.9	71%	0.713	30%	0.303	S	S	*	.	H	α-helix	trans	-66.8	-37	179.2	-172.7	0	0	0	0	113.7	T271 L273	T271-S275 WeakPolarHBondContact O-CB 3.21Å; T271-S275 PolarHBondContact O-N 3.4Å; L273-S275 VanDerWaalsContact C-N 3.33Å; L273-S275 PolarHBondContact O-N 2.75Å
276	R	88.7	Confident	83.9	Confident	91 Å²	91	61.6 Å²	61.6	34%	0.343	32%	0.319	S	S	.	.	H	α-helix	trans	-81.7	-34.1	-178.8	-72	169.2	178.8	-135.7	9.3	113.5	D254 I255 N272 L273	D254-R276 IonicContact OD2-CZ 2.69Å; D254-R276 IonicContact OD2-NH1 3.86Å; D254-R276 PolarHBondContact OD2-NH1 3.43Å; D254-R276 IonicContact OD2-NH2 3.23Å; I255-R276 VanDerWaalsContact CG1-CZ 3.47Å; N272-R276 VanDerWaalsContact O-CB 3.27Å; N272-R276 WeakPolarHBondContact O-CB 3.4Å; N272-R276 WeakPolarHBondContact O-CD 3.5Å; N272-R276 WeakPolarHBondContact O-CG 3.3Å; N272-R276 PolarHBondContact O-N 2.92Å; L273-R276 PolarHBondContact O-N 3.29Å
277	I	87.2	Confident	83.7	Confident	28 Å²	28	63.6 Å²	63.6	14%	0.144	33%	0.327	C	S	.	.	H	α-helix	trans	-103.9	-29.8	-170.3	-54.2	177.1	0	0	0	112.2	L247 I248 H251 L273 F279 M281	L247-I277 HydrophobicContact CD2-CG2 3.72Å; L247-I277 HydrophobicContact CG-CG2 4.14Å; I248-I277 HydrophobicContact CG1-CD1 4.06Å; H251-I277 HydrophobicContact CB-CD1 4.11Å; H251-I277 HydrophobicContact CB-CG1 4.35Å; L273-I277 HydrophobicContact CB-CD1 4.49Å; L273-I277 HydrophobicContact CD2-CD1 3.84Å; L273-I277 VanDerWaalsContact O-CB 3.3Å; L273-I277 WeakPolarHBondContact O-CB 3.32Å; L273-I277 WeakPolarHBondContact O-CG1 3.29Å; L273-I277 PolarHBondContact O-N 2.85Å; I277-F279 HydrophobicContact CG2-CD1 3.54Å; I277-F279 HydrophobicContact CG2-CE1 3.29Å; I277-F279 HydrophobicContact CG2-CG 4.39Å; I277-F279 HydrophobicContact CG2-CZ 3.98Å; I277-M281 HydrophobicContact CB-CE 3.72Å; I277-M281 HydrophobicContact CD1-CE 3.75Å; I277-M281 HydrophobicContact CG1-CE 4.22Å; I277-M281 HydrophobicContact CG2-CE 3.99Å
278	G	82.4	Confident	83.6	Confident	69 Å²	69	56.3 Å²	56.3	71%	0.711	30%	0.295	S	S	*	.			trans	81.6	16.2	172	0	0	0	0	0	116.4	E274	E274-G278 WeakPolarHBondContact O-CA 3.42Å; E274-G278 PolarHBondContact O-N 3.32Å
279	F	84.4	Confident	83.3	Confident	57 Å²	57	52.3 Å²	52.3	25%	0.25	28%	0.276	C	S	.	.	S	Bend	trans	-126	165.9	169.4	68.7	-114.7	0	0	0	112.8	N244 I248 I277 M281 Y284	N244-F279 HydrophobicContact CB-CE1 4.15Å; N244-F279 HydrophobicContact CB-CE2 4.44Å; N244-F279 HydrophobicContact CB-CZ 3.68Å; I248-F279 HydrophobicContact CD1-CE2 4.02Å; I248-F279 HydrophobicContact CD1-CZ 3.92Å; I248-F279 HydrophobicContact CG1-CE2 4.46Å; I248-F279 HydrophobicContact CG1-CZ 4.04Å; I277-F279 HydrophobicContact CG2-CD1 3.54Å; I277-F279 HydrophobicContact CG2-CE1 3.29Å; I277-F279 HydrophobicContact CG2-CG 4.39Å; I277-F279 HydrophobicContact CG2-CZ 3.98Å; F279-M281 HydrophobicContact CD2-CE 3.63Å; F279-M281 HydrophobicContact CD2-SD 4.22Å; F279-M281 HydrophobicContact CE1-CE 4.34Å; F279-M281 HydrophobicContact CE2-CE 3.38Å; F279-M281 HydrophobicContact CE2-SD 3.7Å; F279-M281 HydrophobicContact CG-CE 4.2Å; F279-M281 HydrophobicContact CZ-CE 3.76Å; F279-M281 HydrophobicContact CZ-SD 4.38Å; F279-M281 PolarHBondContact O-N 3.42Å; F279-Y284 HydrophobicContact CE2-CD2 4.01Å; F279-Y284 HydrophobicContact CE2-CE2 4.01Å
280	D	80.3	Confident	82.7	Confident	67 Å²	67	54 Å²	54	36%	0.358	29%	0.285	S	S	.	.			trans	-66.9	115.9	-178.2	-179.1	1	0	0	0	111.9	R282 P283	D280-R282 VanDerWaalsContact OD1-CB 3.26Å; D280-R282 WeakPolarHBondContact OD1-CB 3.4Å; D280-R282 WeakPolarHBondContact OD1-CG 3.47Å; D280-R282 IonicContact OD1-CZ 2.75Å; D280-R282 PolarHBondContact OD1-N 2.9Å; D280-R282 IonicContact OD1-NE 3.11Å; D280-R282 PolarHBondContact OD1-NE 3.5Å; D280-R282 IonicContact OD1-NH2 3.16Å; D280-R282 IonicContact OD2-CZ 3.32Å; D280-R282 VanDerWaalsContact OD2-CZ 3.31Å; D280-R282 IonicContact OD2-NE 2.75Å; D280-R282 PolarHBondContact OD2-NE 2.88Å; D280-R282 VanDerWaalsContact OD2-NE 3.14Å; D280-R282 IonicContact OD2-NH2 2.67Å; D280-R282 PolarHBondContact OD2-NH2 2.85Å; D280-P283 VanDerWaalsContact O-CD 3.3Å; D280-P283 WeakPolarHBondContact O-CD 3.46Å
281	M	83.3	Confident	82.3	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.005	29%	0.286	C	S	.	.			trans	-85	-6.5	-177.3	-66.8	-65.7	155.7	0	0	113.6	I248 L273 E274 I277 F279 P283 Y284 K285 I288	I248-M281 HydrophobicContact CD1-SD 3.76Å; I248-M281 HydrophobicContact CG1-CE 4.2Å; I248-M281 HydrophobicContact CG1-SD 3.83Å; L273-M281 HydrophobicContact CB-CE 4.32Å; L273-M281 HydrophobicContact CB-CG 4.21Å; L273-M281 HydrophobicContact CB-SD 4.26Å; E274-M281 HydrophobicContact CB-CG 4.42Å; E274-M281 HydrophobicContact CG-CB 3.77Å; E274-M281 HydrophobicContact CG-CG 3.37Å; I277-M281 HydrophobicContact CB-CE 3.72Å; I277-M281 HydrophobicContact CD1-CE 3.75Å; I277-M281 HydrophobicContact CG1-CE 4.22Å; I277-M281 HydrophobicContact CG2-CE 3.99Å; F279-M281 HydrophobicContact CD2-CE 3.63Å; F279-M281 HydrophobicContact CD2-SD 4.22Å; F279-M281 HydrophobicContact CE1-CE 4.34Å; F279-M281 HydrophobicContact CE2-CE 3.38Å; F279-M281 HydrophobicContact CE2-SD 3.7Å; F279-M281 HydrophobicContact CG-CE 4.2Å; F279-M281 HydrophobicContact CZ-CE 3.76Å; F279-M281 HydrophobicContact CZ-SD 4.38Å; F279-M281 PolarHBondContact O-N 3.42Å; M281-P283 VanDerWaalsContact C-CD 3.5Å; M281-Y284 CarbonylContact O-C 3.59Å; M281-Y284 WeakPolarHBondContact O-CA 3.38Å; M281-Y284 PolarHBondContact O-N 3.18Å; M281-K285 PolarHBondContact O-N 3.14Å; M281-I288 HydrophobicContact CB-CD1 3.95Å; M281-I288 HydrophobicContact CG-CD1 4.24Å; M281-I288 HydrophobicContact SD-CD1 3.88Å
282	R	78.9	Confident	81.9	Confident	182 Å²	182	50.3 Å²	50.3	69%	0.687	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-58.9	-39.5	-177.9	-62.1	174.8	-63.5	168.9	2.7	114.1	D280 Y284 K285	D280-R282 VanDerWaalsContact OD1-CB 3.26Å; D280-R282 WeakPolarHBondContact OD1-CB 3.4Å; D280-R282 WeakPolarHBondContact OD1-CG 3.47Å; D280-R282 IonicContact OD1-CZ 2.75Å; D280-R282 PolarHBondContact OD1-N 2.9Å; D280-R282 IonicContact OD1-NE 3.11Å; D280-R282 PolarHBondContact OD1-NE 3.5Å; D280-R282 IonicContact OD1-NH2 3.16Å; D280-R282 IonicContact OD2-CZ 3.32Å; D280-R282 VanDerWaalsContact OD2-CZ 3.31Å; D280-R282 IonicContact OD2-NE 2.75Å; D280-R282 PolarHBondContact OD2-NE 2.88Å; D280-R282 VanDerWaalsContact OD2-NE 3.14Å; D280-R282 IonicContact OD2-NH2 2.67Å; D280-R282 PolarHBondContact OD2-NH2 2.85Å; R282-Y284 PolarHBondContact O-N 3.19Å; R282-K285 WeakPolarHBondContact O-CB 3.48Å; R282-K285 PolarHBondContact O-N 2.99Å
283	P	82	Confident	81.2	Confident	70 Å²	70	48 Å²	48	46%	0.455	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-67.4	-17.5	175	-18.4	32.7	0	0	0	114.1	D280 M281	D280-P283 VanDerWaalsContact O-CD 3.3Å; D280-P283 WeakPolarHBondContact O-CD 3.46Å; M281-P283 VanDerWaalsContact C-CD 3.5Å
284	Y	81.4	Confident	80.2	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.008	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-106.3	9.4	-175.8	-61.2	-91.5	0	0	0	112.2	E236 R241 N244 E245 I248 F279 M281 R282 Y287 I288	E236-Y284 PolarHBondContact OE1-OH 3.23Å; E236-Y284 PolarHBondContact OE2-OH 2.96Å; R241-Y284 HydrophobicContact CG-CE1 3.98Å; N244-Y284 HydrophobicContact CB-CE1 3.83Å; N244-Y284 PolarHBondContact ND2-OH 2.86Å; E245-Y284 HydrophobicContact CG-CD1 3.89Å; E245-Y284 HydrophobicContact CG-CE1 3.89Å; I248-Y284 HydrophobicContact CD1-CD1 3.64Å; I248-Y284 HydrophobicContact CD1-CD2 4.27Å; I248-Y284 HydrophobicContact CD1-CE1 4.39Å; I248-Y284 HydrophobicContact CD1-CG 3.58Å; F279-Y284 HydrophobicContact CE2-CD2 4.01Å; F279-Y284 HydrophobicContact CE2-CE2 4.01Å; M281-Y284 CarbonylContact O-C 3.59Å; M281-Y284 WeakPolarHBondContact O-CA 3.38Å; M281-Y284 PolarHBondContact O-N 3.18Å; R282-Y284 PolarHBondContact O-N 3.19Å; Y284-Y287 WeakPolarHBondContact O-CB 3.21Å; Y284-Y287 PolarHBondContact O-N 3.44Å; Y284-Y287 VanDerWaalsContact O-N 3.1Å; Y284-I288 WeakPolarHBondContact O-CG1 3.48Å; Y284-I288 PolarHBondContact O-N 2.85Å
285	K	78.7	Confident	79.3	Confident	59 Å²	59	45.6 Å²	45.6	26%	0.257	24%	0.24	S	C	.	.	H	α-helix	trans	-54.5	-58.8	-174.4	-169.1	118.2	-171.3	46.7	0	113.3	G152 H270 M281 R282 Y287 I288 D289	G152-K285 WeakPolarHBondContact O-CD 3.46Å; G152-K285 WeakPolarHBondContact O-CE 3.41Å; G152-K285 WeakPolarHBondContact O-CG 3.08Å; G152-K285 PolarHBondContact O-NZ 3.31Å; H270-K285 PolarHBondContact CD2-NZ 3.11Å; H270-K285 VanDerWaalsContact CD2-NZ 3.31Å; H270-K285 PolarHBondContact NE2-NZ 3.36Å; M281-K285 PolarHBondContact O-N 3.14Å; R282-K285 WeakPolarHBondContact O-CB 3.48Å; R282-K285 PolarHBondContact O-N 2.99Å; K285-Y287 PolarHBondContact O-N 3.49Å; K285-I288 PolarHBondContact O-N 2.63Å; K285-I288 VanDerWaalsContact O-N 3.1Å; K285-D289 IonicContact NZ-OD2 3.31Å; K285-D289 PolarHBondContact NZ-OD2 3.5Å; K285-D289 PolarHBondContact O-N 2.87Å
286	E	74	Confident	78.5	Confident	94 Å²	94	41 Å²	41	44%	0.439	21%	0.207	S	C	.	.	H	α-helix	trans	-56.2	-35.9	176	-59.2	-178.9	154.9	0	0	112.5	N290	E286-N290 VanDerWaalsContact O-CB 3.29Å; E286-N290 WeakPolarHBondContact O-CB 3.4Å; E286-N290 PolarHBondContact O-N 2.93Å; E286-N290 VanDerWaalsContact O-N 3.13Å; E286-N290 PolarHBondContact O-ND2 3.43Å; E286-N290 VanDerWaalsContact O-ND2 3.09Å; E286-N290 PolarHBondContact O-OD1 2.84Å
287	Y	77.7	Confident	77.2	Confident	44 Å²	44	36.9 Å²	36.9	17%	0.173	19%	0.192	C	C	.	.	H	α-helix	trans	-69	-42.9	178	176.4	-105.6	0	0	0	111.8	E245 I248 Y284 K285 N290 E291	E245-Y287 HydrophobicContact CB-CD1 4.24Å; E245-Y287 HydrophobicContact CB-CE1 3.66Å; E245-Y287 HydrophobicContact CB-CE2 4.27Å; E245-Y287 HydrophobicContact CG-CD1 3.87Å; E245-Y287 HydrophobicContact CG-CD2 4.3Å; E245-Y287 HydrophobicContact CG-CE1 3.83Å; E245-Y287 HydrophobicContact CG-CE2 4.28Å; E245-Y287 HydrophobicContact CG-CG 4.11Å; E245-Y287 WeakPolarHBondContact O-CE1 3.26Å; E245-Y287 PolarHBondContact O-OH 2.93Å; I248-Y287 HydrophobicContact CB-CE1 4.27Å; I248-Y287 HydrophobicContact CG2-CD1 4.16Å; I248-Y287 HydrophobicContact CG2-CE1 3.99Å; Y284-Y287 WeakPolarHBondContact O-CB 3.21Å; Y284-Y287 PolarHBondContact O-N 3.44Å; Y284-Y287 VanDerWaalsContact O-N 3.1Å; K285-Y287 PolarHBondContact O-N 3.49Å; Y287-N290 PolarHBondContact O-N 3.16Å; Y287-E291 HydrophobicContact CD1-CG 4.31Å; Y287-E291 HydrophobicContact CD2-CG 4.04Å; Y287-E291 HydrophobicContact CE1-CG 3.85Å; Y287-E291 HydrophobicContact CE2-CG 3.51Å; Y287-E291 WeakPolarHBondContact CE2-OE1 3.21Å; Y287-E291 HydrophobicContact CG-CG 4.39Å; Y287-E291 VanDerWaalsContact CZ-CG 3.4Å; Y287-E291 VanDerWaalsContact O-CB 3.28Å; Y287-E291 WeakPolarHBondContact O-CB 3.41Å; Y287-E291 VanDerWaalsContact O-CG 3.31Å; Y287-E291 WeakPolarHBondContact O-CG 3.41Å; Y287-E291 PolarHBondContact O-N 2.95Å; Y287-E291 PolarHBondContact OH-OE1 3.43Å
288	I	82.9	Confident	75.8	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-64.4	-49.2	178.5	-71.6	162	0	0	0	110.8	I248 V269 H270 L273 M281 Y284 K285 N290 E291 I292	I248-I288 HydrophobicContact CG2-CD1 4.21Å; I248-I288 HydrophobicContact CG2-CG1 3.59Å; V269-I288 HydrophobicContact CG1-CG2 4.49Å; H270-I288 VanDerWaalsContact CE1-CD1 3.5Å; H270-I288 WeakPolarHBondContact CE1-CD1 3.39Å; L273-I288 HydrophobicContact CD1-CD1 3.88Å; L273-I288 HydrophobicContact CD1-CG1 4.01Å; L273-I288 HydrophobicContact CD1-CG2 3.9Å; M281-I288 HydrophobicContact CB-CD1 3.95Å; M281-I288 HydrophobicContact CG-CD1 4.24Å; M281-I288 HydrophobicContact SD-CD1 3.88Å; Y284-I288 WeakPolarHBondContact O-CG1 3.48Å; Y284-I288 PolarHBondContact O-N 2.85Å; K285-I288 PolarHBondContact O-N 2.63Å; K285-I288 VanDerWaalsContact O-N 3.1Å; I288-N290 VanDerWaalsContact C-N 3.32Å; I288-N290 PolarHBondContact O-N 3.43Å; I288-E291 PolarHBondContact O-N 3.44Å; I288-I292 HydrophobicContact CG2-CD1 3.7Å; I288-I292 HydrophobicContact CG2-CG1 4.3Å; I288-I292 WeakPolarHBondContact O-CB 3.48Å; I288-I292 WeakPolarHBondContact O-CG1 3.23Å; I288-I292 PolarHBondContact O-N 3.28Å
289	D	77.3	Confident	74.7	Confident	8 Å²	8	38.4 Å²	38.4	4%	0.043	18%	0.181	C	C	.	.	H	α-helix	trans	-64.8	-35.3	179.7	-68	-58.6	0	0	0	112	G152 S266 H270 K285 L293	G152-D289 VanDerWaalsContact C-OD2 3.24Å; G152-D289 WeakPolarHBondContact CA-OD2 3.4Å; S266-D289 WeakPolarHBondContact CB-OD1 3.44Å; S266-D289 PolarHBondContact OG-OD1 3.33Å; H270-D289 IonicContact NE2-OD2 3.14Å; K285-D289 IonicContact NZ-OD2 3.31Å; K285-D289 PolarHBondContact NZ-OD2 3.5Å; K285-D289 PolarHBondContact O-N 2.87Å; D289-L293 PolarHBondContact O-N 3.19Å
290	N	73.3	Confident	73.7	Confident	35 Å²	35	36.8 Å²	36.8	19%	0.187	18%	0.175	C	C	.	.	H	α-helix	trans	-66.9	-47.3	172.5	-68.1	-15.2	0	0	0	112.3	E286 Y287 I288 I292 L293 V294 M548	E286-N290 VanDerWaalsContact O-CB 3.29Å; E286-N290 WeakPolarHBondContact O-CB 3.4Å; E286-N290 PolarHBondContact O-N 2.93Å; E286-N290 VanDerWaalsContact O-N 3.13Å; E286-N290 PolarHBondContact O-ND2 3.43Å; E286-N290 VanDerWaalsContact O-ND2 3.09Å; E286-N290 PolarHBondContact O-OD1 2.84Å; Y287-N290 PolarHBondContact O-N 3.16Å; I288-N290 VanDerWaalsContact C-N 3.32Å; I288-N290 PolarHBondContact O-N 3.43Å; N290-I292 VanDerWaalsContact C-N 3.33Å; N290-I292 PolarHBondContact O-N 3.18Å; N290-L293 PolarHBondContact O-N 2.6Å; N290-V294 WeakPolarHBondContact O-CG2 3.02Å; N290-V294 PolarHBondContact O-N 2.72Å; N290-M548 HydrophobicContact CB-CE 3.66Å; N290-M548 HydrophobicContact CB-SD 4.31Å; N290-M548 VanDerWaalsContact OD1-CB 3.31Å; N290-M548 WeakPolarHBondContact OD1-CB 3.35Å; N290-M548 WeakPolarHBondContact OD1-CE 3.33Å
291	E	77.3	Confident	73.3	Confident	21 Å²	21	36.2 Å²	36.2	10%	0.098	17%	0.169	C	C	.	.	H	α-helix	trans	-68.4	-29.6	179.3	-79.1	-75.1	-179.3	0	0	113.3	K249 L252 Y287 I288 T295	K249-E291 WeakPolarHBondContact CD-OE1 3.2Å; K249-E291 IonicContact NZ-OE1 2.69Å; K249-E291 PolarHBondContact NZ-OE1 3.4Å; K249-E291 IonicContact NZ-OE2 2.67Å; K249-E291 PolarHBondContact NZ-OE2 3.09Å; L252-E291 HydrophobicContact CD2-CB 3.58Å; Y287-E291 HydrophobicContact CD1-CG 4.31Å; Y287-E291 HydrophobicContact CD2-CG 4.04Å; Y287-E291 HydrophobicContact CE1-CG 3.85Å; Y287-E291 HydrophobicContact CE2-CG 3.51Å; Y287-E291 WeakPolarHBondContact CE2-OE1 3.21Å; Y287-E291 HydrophobicContact CG-CG 4.39Å; Y287-E291 VanDerWaalsContact CZ-CG 3.4Å; Y287-E291 VanDerWaalsContact O-CB 3.28Å; Y287-E291 WeakPolarHBondContact O-CB 3.41Å; Y287-E291 VanDerWaalsContact O-CG 3.31Å; Y287-E291 WeakPolarHBondContact O-CG 3.41Å; Y287-E291 PolarHBondContact O-N 2.95Å; Y287-E291 PolarHBondContact OH-OE1 3.43Å; I288-E291 PolarHBondContact O-N 3.44Å; E291-T295 VanDerWaalsContact O-CB 3.24Å; E291-T295 WeakPolarHBondContact O-CB 3.34Å; E291-T295 PolarHBondContact O-N 2.94Å; E291-T295 PolarHBondContact O-OG1 3.11Å
292	I	79.3	Confident	73.5	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-57.2	-54.8	170.5	-79.7	165.3	0	0	0	108.8	M172 L252 M256 V269 I288 N290 T295 M296	M172-I292 HydrophobicContact CE-CG2 3.15Å; M172-I292 HydrophobicContact SD-CG2 4.02Å; L252-I292 HydrophobicContact CD1-CD1 4.49Å; L252-I292 HydrophobicContact CD1-CG1 3.67Å; L252-I292 HydrophobicContact CD2-CG1 4.12Å; L252-I292 HydrophobicContact CG-CG1 4.48Å; M256-I292 HydrophobicContact CE-CG2 4.26Å; M256-I292 WeakPolarHBondContact CE-O 3.39Å; M256-I292 HydrophobicContact SD-CB 4.47Å; M256-I292 HydrophobicContact SD-CG1 4.25Å; M256-I292 HydrophobicContact SD-CG2 4.46Å; V269-I292 HydrophobicContact CB-CD1 4.18Å; V269-I292 HydrophobicContact CG1-CD1 3.88Å; V269-I292 HydrophobicContact CG1-CG1 4.25Å; V269-I292 HydrophobicContact CG2-CD1 4.45Å; I288-I292 HydrophobicContact CG2-CD1 3.7Å; I288-I292 HydrophobicContact CG2-CG1 4.3Å; I288-I292 WeakPolarHBondContact O-CB 3.48Å; I288-I292 WeakPolarHBondContact O-CG1 3.23Å; I288-I292 PolarHBondContact O-N 3.28Å; N290-I292 VanDerWaalsContact C-N 3.33Å; N290-I292 PolarHBondContact O-N 3.18Å; I292-T295 WeakPolarHBondContact O-CB 3.47Å; I292-T295 PolarHBondContact O-N 3.13Å; I292-T295 VanDerWaalsContact O-N 3.14Å; I292-M296 WeakPolarHBondContact O-CG 3.27Å; I292-M296 PolarHBondContact O-N 2.82Å
293	L	70.9	Confident	74.1	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-71.7	-33	-178.2	-69.8	-164	0	0	0	114	L150 M172 M175 W176 L179 D289 N290 T295 M296 A297 L553	L150-L293 HydrophobicContact CD1-CD1 3.71Å; L150-L293 HydrophobicContact CD1-CG 4.23Å; L150-L293 HydrophobicContact CD2-CD1 3.41Å; L150-L293 VanDerWaalsContact CD2-CD1 3.41Å; L150-L293 HydrophobicContact CG-CD1 4.21Å; M172-L293 HydrophobicContact CE-CD2 4.36Å; M175-L293 HydrophobicContact CE-CD1 4.47Å; M175-L293 HydrophobicContact CE-CD2 3.77Å; M175-L293 HydrophobicContact CE-CG 4.24Å; W176-L293 HydrophobicContact CE3-CD2 4.07Å; L179-L293 HydrophobicContact CD1-CD1 3.43Å; L179-L293 VanDerWaalsContact CD1-CD1 3.43Å; L179-L293 HydrophobicContact CD1-CD2 4.46Å; D289-L293 PolarHBondContact O-N 3.19Å; N290-L293 PolarHBondContact O-N 2.6Å; L293-T295 PolarHBondContact O-N 2.83Å; L293-M296 HydrophobicContact CD2-CG 4.48Å; L293-M296 HydrophobicContact CD2-SD 3.99Å; L293-M296 PolarHBondContact O-N 3.27Å; L293-A297 WeakPolarHBondContact O-CB 3.16Å; L293-A297 PolarHBondContact O-N 3.07Å; L293-L553 HydrophobicContact CB-CD2 3.76Å; L293-L553 HydrophobicContact CD1-CD2 3.76Å; L293-L553 HydrophobicContact CG-CD2 4.46Å
294	V	66.4	Low	74.7	Confident	19 Å²	19	30.6 Å²	30.6	12%	0.115	15%	0.147	C	C	.	.	H	α-helix	trans	-60.5	-38.9	169.4	171.6	0	0	0	0	110.5	N290 Q298 L553	N290-V294 WeakPolarHBondContact O-CG2 3.02Å; N290-V294 PolarHBondContact O-N 2.72Å; V294-Q298 WeakPolarHBondContact O-CB 3.28Å; V294-Q298 VanDerWaalsContact O-CG 3.24Å; V294-Q298 WeakPolarHBondContact O-CG 3.35Å; V294-Q298 PolarHBondContact O-N 3.1Å; V294-L553 HydrophobicContact CG2-CD1 3.75Å
295	T	71.3	Confident	75.4	Confident	7 Å²	7	30.6 Å²	30.6	4%	0.043	15%	0.147	C	C	.	.	H	α-helix	trans	-67.4	-43.9	175.4	-61.2	0	0	0	0	111.9	R253 M256 E291 I292 L293 A297 Q298 M299	R253-T295 HydrophobicContact CG-CG2 3.79Å; R253-T295 WeakPolarHBondContact CG-OG1 3.49Å; M256-T295 HydrophobicContact CB-CG2 4.19Å; M256-T295 HydrophobicContact CE-CG2 3.68Å; M256-T295 HydrophobicContact SD-CG2 3.62Å; E291-T295 VanDerWaalsContact O-CB 3.24Å; E291-T295 WeakPolarHBondContact O-CB 3.34Å; E291-T295 PolarHBondContact O-N 2.94Å; E291-T295 PolarHBondContact O-OG1 3.11Å; I292-T295 WeakPolarHBondContact O-CB 3.47Å; I292-T295 PolarHBondContact O-N 3.13Å; I292-T295 VanDerWaalsContact O-N 3.14Å; L293-T295 PolarHBondContact O-N 2.83Å; T295-A297 PolarHBondContact O-N 3.18Å; T295-Q298 PolarHBondContact O-N 2.77Å; T295-M299 HydrophobicContact CG2-SD 4.01Å; T295-M299 VanDerWaalsContact O-CG 3.3Å; T295-M299 WeakPolarHBondContact O-CG 3.39Å; T295-M299 PolarHBondContact O-N 3.39Å
296	M	70.3	Confident	76.3	Confident	6 Å²	6	28.5 Å²	28.5	3%	0.03	14%	0.138	C	C	.	.	H	α-helix	trans	-60.1	-46.9	175.6	-64.2	-163.4	76.9	0	0	111.4	M172 W176 M256 L261 I292 L293 Q298 M299 D300	M172-M296 HydrophobicContact CB-CE 4.29Å; M172-M296 HydrophobicContact CB-SD 4.17Å; M172-M296 HydrophobicContact CE-SD 3.52Å; M172-M296 VanDerWaalsContact CE-SD 3.52Å; M172-M296 WeakPolarHBondContact O-CE 3.43Å; W176-M296 HydrophobicContact CB-CE 3.44Å; W176-M296 VanDerWaalsContact CB-CE 3.44Å; W176-M296 HydrophobicContact CB-SD 3.88Å; W176-M296 HydrophobicContact CD2-CB 4.03Å; W176-M296 HydrophobicContact CE3-CB 4.11Å; W176-M296 HydrophobicContact CG-CB 4.36Å; W176-M296 HydrophobicContact CG-CE 3.87Å; W176-M296 HydrophobicContact CG-SD 4.37Å; M256-M296 HydrophobicContact CE-CG 3.38Å; M256-M296 HydrophobicContact CE-SD 4.45Å; L261-M296 HydrophobicContact CD1-CE 4.35Å; I292-M296 WeakPolarHBondContact O-CG 3.27Å; I292-M296 PolarHBondContact O-N 2.82Å; L293-M296 HydrophobicContact CD2-CG 4.48Å; L293-M296 HydrophobicContact CD2-SD 3.99Å; L293-M296 PolarHBondContact O-N 3.27Å; M296-Q298 VanDerWaalsContact C-N 3.34Å; M296-Q298 PolarHBondContact O-N 2.85Å; M296-M299 WeakPolarHBondContact O-CB 3.25Å; M296-M299 PolarHBondContact O-N 2.8Å; M296-M299 VanDerWaalsContact O-N 3.09Å; M296-D300 PolarHBondContact O-N 2.95Å; M296-D300 VanDerWaalsContact O-N 3.11Å
297	A	61.8	Low	77.3	Confident	4 Å²	4	30.1 Å²	30.1	3%	0.033	15%	0.15	C	C	.	.	H	α-helix	trans	-60.8	-39.3	176.3	0	0	0	0	0	113.3	W176 L293 T295 M299 D300 I557	W176-A297 HydrophobicContact CH2-CB 3.53Å; W176-A297 HydrophobicContact CZ2-CB 4.1Å; W176-A297 HydrophobicContact CZ3-CB 4.25Å; L293-A297 WeakPolarHBondContact O-CB 3.16Å; L293-A297 PolarHBondContact O-N 3.07Å; T295-A297 PolarHBondContact O-N 3.18Å; A297-M299 VanDerWaalsContact C-N 3.3Å; A297-M299 PolarHBondContact O-N 3Å; A297-D300 PolarHBondContact O-N 3.07Å; A297-I557 HydrophobicContact CB-CD1 3.28Å; A297-I557 HydrophobicContact CB-CG1 3.77Å; A297-I557 HydrophobicContact CB-CG2 4.14Å
298	Q	57.3	Low	78.1	Confident	96 Å²	96	29.6 Å²	29.6	45%	0.449	15%	0.148	S	C	.	.	H	α-helix	trans	-69.4	-26.2	175.4	-76.3	178.7	-4.3	0	0	113.1	V294 T295 M296 D300	V294-Q298 WeakPolarHBondContact O-CB 3.28Å; V294-Q298 VanDerWaalsContact O-CG 3.24Å; V294-Q298 WeakPolarHBondContact O-CG 3.35Å; V294-Q298 PolarHBondContact O-N 3.1Å; T295-Q298 PolarHBondContact O-N 2.77Å; M296-Q298 VanDerWaalsContact C-N 3.34Å; M296-Q298 PolarHBondContact O-N 2.85Å; Q298-D300 VanDerWaalsContact C-N 3.35Å
299	M	59.9	Low	78.9	Confident	34 Å²	34	29.6 Å²	29.6	17%	0.167	15%	0.148	C	C	.	.	H	α-helix	trans	-76.3	-24.5	172.4	-70.3	171.7	59.2	0	0	112.4	L261 T295 M296 A297 R420 I422	L261-M299 HydrophobicContact CD1-CE 3.94Å; T295-M299 HydrophobicContact CG2-SD 4.01Å; T295-M299 VanDerWaalsContact O-CG 3.3Å; T295-M299 WeakPolarHBondContact O-CG 3.39Å; T295-M299 PolarHBondContact O-N 3.39Å; M296-M299 WeakPolarHBondContact O-CB 3.25Å; M296-M299 PolarHBondContact O-N 2.8Å; M296-M299 VanDerWaalsContact O-N 3.09Å; A297-M299 VanDerWaalsContact C-N 3.3Å; A297-M299 PolarHBondContact O-N 3Å; M299-R420 PolarHBondContact O-NH2 3.27Å; M299-I422 HydrophobicContact CB-CD1 4.35Å; M299-I422 HydrophobicContact CE-CD1 4.3Å; M299-I422 HydrophobicContact CE-CG2 4.28Å; M299-I422 HydrophobicContact CG-CD1 4.44Å; M299-I422 HydrophobicContact CG-CG2 3.97Å; M299-I422 HydrophobicContact SD-CG2 4.43Å
300	D	64.2	Low	79.8	Confident	23 Å²	23	30.3 Å²	30.3	12%	0.123	15%	0.15	C	C	.	.	S	Bend	trans	-103.7	16.7	-170.5	-149.3	26.8	0	0	0	114.8	W176 Q180 M296 A297 Q298 S313 W315 N316	W176-D300 HydrophobicContact CZ2-CB 4.35Å; W176-D300 PolarHBondContact NE1-OD2 3.44Å; Q180-D300 PolarHBondContact NE2-OD2 2.65Å; M296-D300 PolarHBondContact O-N 2.95Å; M296-D300 VanDerWaalsContact O-N 3.11Å; A297-D300 PolarHBondContact O-N 3.07Å; Q298-D300 VanDerWaalsContact C-N 3.35Å; D300-S313 PolarHBondContact OD1-OG 3.4Å; D300-W315 WeakPolarHBondContact OD1-CB 3.49Å; D300-N316 PolarHBondContact O-ND2 2.95Å
301	K	72	Confident	81	Confident	54 Å²	54	28.7 Å²	28.7	24%	0.235	14%	0.141	C	C	.	.	S	Bend	trans	-93.7	149.2	163.7	-67	-169.6	-172.4	-177.7	0	111.3	S303 R420 I557 D561	K301-S303 PolarHBondContact O-N 3.31Å; K301-R420 PolarHBondContact O-NH1 3.18Å; K301-I557 VanDerWaalsContact CE-CG2 3.48Å; K301-I557 PolarHBondContact NZ-O 3.39Å; K301-D561 IonicContact NZ-OD1 2.83Å; K301-D561 PolarHBondContact NZ-OD1 2.97Å; K301-D561 IonicContact NZ-OD2 2.8Å; K301-D561 PolarHBondContact NZ-OD2 2.89Å
302	P	85.8	Confident	81.7	Confident	20 Å²	20	27.7 Å²	27.7	13%	0.13	14%	0.136	C	C	.	.			trans	-75.6	116.8	176.9	29.4	-29	0	0	0	109.7	K304 Y310 N316 E322 L383	P302-K304 PolarHBondContact O-N 2.98Å; P302-Y310 HydrophobicContact CB-CD1 4.27Å; P302-N316 HydrophobicContact CB-CB 4.06Å; P302-N316 VanDerWaalsContact CD-ND2 3.35Å; P302-N316 WeakPolarHBondContact CD-ND2 3.38Å; P302-E322 VanDerWaalsContact CD-CD 3.46Å; P302-E322 WeakPolarHBondContact CD-OE1 3.41Å; P302-E322 HydrophobicContact CG-CG 4.15Å; P302-L383 HydrophobicContact CB-CD1 4.17Å
303	S	92.1	Very high	82	Confident	18 Å²	18	27.8 Å²	27.8	13%	0.126	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	115.3	-177.9	-60.4	0	0	0	0	110.4	K301 I305 Y310 L311 R419 R420	K301-S303 PolarHBondContact O-N 3.31Å; S303-I305 WeakPolarHBondContact O-CG1 3.44Å; S303-I305 PolarHBondContact O-N 3.15Å; S303-Y310 WeakPolarHBondContact O-CA 3.38Å; S303-L311 PolarHBondContact N-O 3.42Å; S303-L311 PolarHBondContact O-N 2.87Å; S303-R419 WeakPolarHBondContact CB-O 3.45Å; S303-R419 PolarHBondContact OG-O 3.31Å; S303-R420 WeakPolarHBondContact OG-CB 2.97Å; S303-R420 WeakPolarHBondContact OG-CD 3.26Å; S303-R420 VanDerWaalsContact OG-CG 3.27Å; S303-R420 WeakPolarHBondContact OG-CG 3.47Å; S303-R420 PolarHBondContact OG-NH1 2.84Å
304	K	95.3	Very high	82.2	Confident	97 Å²	97	28.6 Å²	28.6	42%	0.422	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	110	174.1	-169.7	180	174.2	-168.7	0	110	P302 F306 D307 Y310	P302-K304 PolarHBondContact O-N 2.98Å; K304-F306 WeakPolarHBondContact CG-O 3.46Å; K304-D307 VanDerWaalsContact CE-CA 3.47Å; K304-D307 VanDerWaalsContact CE-OD1 3.32Å; K304-D307 WeakPolarHBondContact CE-OD1 3.29Å; K304-D307 IonicContact NZ-OD1 2.71Å; K304-D307 PolarHBondContact NZ-OD1 3.22Å; K304-Y310 HydrophobicContact CB-CD1 3.87Å; K304-Y310 HydrophobicContact CB-CE1 3.6Å; K304-Y310 HydrophobicContact CD-CE1 4.18Å; K304-Y310 HydrophobicContact CG-CD1 4.25Å; K304-Y310 HydrophobicContact CG-CE1 3.74Å
305	I	96.8	Very high	82.4	Confident	2 Å²	2	29.6 Å²	29.6	1%	0.01	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-49.5	-177.2	-53.9	-55.8	0	0	0	110.9	S303 L309 L311 V397 Y415 V416 R419	S303-I305 WeakPolarHBondContact O-CG1 3.44Å; S303-I305 PolarHBondContact O-N 3.15Å; I305-L309 WeakPolarHBondContact CA-O 3.42Å; I305-L309 HydrophobicContact CB-CD2 4.3Å; I305-L309 HydrophobicContact CB-CG 4.25Å; I305-L309 HydrophobicContact CG2-CD2 4.32Å; I305-L309 PolarHBondContact N-O 2.81Å; I305-L311 HydrophobicContact CD1-CB 4.04Å; I305-L311 HydrophobicContact CD1-CD2 4.3Å; I305-L311 HydrophobicContact CG1-CB 3.71Å; I305-V397 HydrophobicContact CB-CG1 4.42Å; I305-V397 HydrophobicContact CG1-CG1 4.03Å; I305-V397 HydrophobicContact CG2-CG1 3.97Å; I305-Y415 HydrophobicContact CG2-CD1 4.43Å; I305-Y415 HydrophobicContact CG2-CE1 4.06Å; I305-Y415 WeakPolarHBondContact O-CE1 3.4Å; I305-Y415 PolarHBondContact O-OH 3.05Å; I305-V416 HydrophobicContact CD1-CG1 4.39Å; I305-V416 HydrophobicContact CG2-CG2 4.19Å; I305-R419 HydrophobicContact CD1-CB 3.87Å; I305-R419 PolarHBondContact O-NE 3.45Å
306	F	96.3	Very high	83	Confident	16 Å²	16	29.4 Å²	29.4	7%	0.07	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	173.3	168.4	-56.8	-63	0	0	0	108.7	K304 Y308 L309 Y400 A401 Q405 W407 Y415	K304-F306 WeakPolarHBondContact CG-O 3.46Å; F306-Y308 HydrophobicContact CB-CD1 4.38Å; F306-Y308 HydrophobicContact CB-CE1 3.9Å; F306-Y308 HydrophobicContact CB-CE2 4.4Å; F306-Y308 PolarHBondContact O-N 3.29Å; F306-L309 HydrophobicContact CB-CB 4.12Å; F306-L309 HydrophobicContact CD2-CB 4.12Å; F306-L309 HydrophobicContact CD2-CD2 3.65Å; F306-L309 HydrophobicContact CD2-CG 4.48Å; F306-L309 HydrophobicContact CE2-CD2 4.06Å; F306-L309 PolarHBondContact N-O 3.48Å; F306-L309 PolarHBondContact O-N 2.66Å; F306-Y400 HydrophobicContact CD2-CD1 4.4Å; F306-Y400 HydrophobicContact CD2-CE1 4.06Å; F306-Y400 HydrophobicContact CE2-CD1 4.04Å; F306-Y400 AromaticContact CE2-CE1 4Å; F306-Y400 HydrophobicContact CE2-CE1 4Å; F306-A401 HydrophobicContact CE2-CB 4.18Å; F306-A401 HydrophobicContact CZ-CB 4Å; F306-Q405 HydrophobicContact CE1-CG 4.26Å; F306-Q405 HydrophobicContact CZ-CG 3.95Å; F306-W407 HydrophobicContact CE1-CH2 4.07Å; F306-W407 HydrophobicContact CE1-CZ3 4.28Å; F306-W407 HydrophobicContact CZ-CH2 4.33Å; F306-W407 HydrophobicContact CZ-CZ3 4.11Å; F306-Y415 HydrophobicContact CD1-CE1 4.07Å; F306-Y415 WeakPolarHBondContact CD1-OH 3.13Å; F306-Y415 HydrophobicContact CE1-CD1 4.45Å; F306-Y415 AromaticContact CE1-CE1 3.49Å; F306-Y415 HydrophobicContact CE1-CE1 3.49Å; F306-Y415 VanDerWaalsContact CE1-CE1 3.49Å; F306-Y415 AromaticContact CE1-CZ 3.61Å; F306-Y415 WeakPolarHBondContact CE1-OH 3.22Å; F306-Y415 AromaticContact CZ-CE1 3.97Å; F306-Y415 HydrophobicContact CZ-CE1 3.97Å
307	D	94.3	Very high	83.4	Confident	128 Å²	128	29.1 Å²	29.1	68%	0.684	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-23.8	-176.6	-70.4	-62.8	0	0	0	115.6	K304	K304-D307 VanDerWaalsContact CE-CA 3.47Å; K304-D307 VanDerWaalsContact CE-OD1 3.32Å; K304-D307 WeakPolarHBondContact CE-OD1 3.29Å; K304-D307 IonicContact NZ-OD1 2.71Å; K304-D307 PolarHBondContact NZ-OD1 3.22Å
308	Y	96.2	Very high	83.3	Confident	33 Å²	33	30.7 Å²	30.7	13%	0.129	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116	5.8	179.4	55.3	-89.2	0	0	0	112.9	F306 I372 R376 A381 V382 Y400	F306-Y308 HydrophobicContact CB-CD1 4.38Å; F306-Y308 HydrophobicContact CB-CE1 3.9Å; F306-Y308 HydrophobicContact CB-CE2 4.4Å; F306-Y308 PolarHBondContact O-N 3.29Å; Y308-I372 HydrophobicContact CE2-CG2 4.37Å; Y308-R376 HydrophobicContact CD1-CB 4.43Å; Y308-R376 HydrophobicContact CD1-CG 3.8Å; Y308-R376 HydrophobicContact CD2-CB 3.66Å; Y308-R376 HydrophobicContact CD2-CG 3.88Å; Y308-R376 HydrophobicContact CE1-CG 3.9Å; Y308-R376 HydrophobicContact CE2-CB 3.97Å; Y308-R376 HydrophobicContact CE2-CG 3.97Å; Y308-R376 HydrophobicContact CG-CB 3.92Å; Y308-R376 HydrophobicContact CG-CG 3.8Å; Y308-A381 CarbonylContact O-C 3.54Å; Y308-A381 VanDerWaalsContact O-CA 3.31Å; Y308-A381 WeakPolarHBondContact O-CA 3.3Å; Y308-V382 WeakPolarHBondContact O-CG1 3.47Å; Y308-V382 PolarHBondContact O-N 3.45Å; Y308-Y400 HydrophobicContact CE2-CE1 4.01Å; Y308-Y400 WeakPolarHBondContact CE2-OH 3.08Å; Y308-Y400 PolarHBondContact OH-OH 3.11Å
309	L	98.1	Very high	83.6	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	117.6	-173.4	179.4	63.2	0	0	0	111.8	I305 F306 I372 V382 V384 V397 Y400	I305-L309 WeakPolarHBondContact CA-O 3.42Å; I305-L309 HydrophobicContact CB-CD2 4.3Å; I305-L309 HydrophobicContact CB-CG 4.25Å; I305-L309 HydrophobicContact CG2-CD2 4.32Å; I305-L309 PolarHBondContact N-O 2.81Å; F306-L309 HydrophobicContact CB-CB 4.12Å; F306-L309 HydrophobicContact CD2-CB 4.12Å; F306-L309 HydrophobicContact CD2-CD2 3.65Å; F306-L309 HydrophobicContact CD2-CG 4.48Å; F306-L309 HydrophobicContact CE2-CD2 4.06Å; F306-L309 PolarHBondContact N-O 3.48Å; F306-L309 PolarHBondContact O-N 2.66Å; L309-I372 HydrophobicContact CD1-CD1 4.37Å; L309-I372 HydrophobicContact CD1-CG2 4.19Å; L309-V382 HydrophobicContact CD1-CG1 3.81Å; L309-V384 HydrophobicContact CD1-CG2 3.54Å; L309-V397 HydrophobicContact CD1-CG2 4.44Å; L309-V397 HydrophobicContact CD2-CG1 4.18Å; L309-V397 HydrophobicContact CD2-CG2 4.45Å; L309-Y400 HydrophobicContact CD2-CD1 3.62Å; L309-Y400 HydrophobicContact CD2-CE1 4.02Å
310	Y	98	Very high	83.5	Confident	23 Å²	23	31.2 Å²	31.2	9%	0.09	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	146.7	173.7	-65.2	-94.8	0	0	0	111.1	P302 S303 K304 N326 V328 A381 V382 V384	P302-Y310 HydrophobicContact CB-CD1 4.27Å; S303-Y310 WeakPolarHBondContact O-CA 3.38Å; K304-Y310 HydrophobicContact CB-CD1 3.87Å; K304-Y310 HydrophobicContact CB-CE1 3.6Å; K304-Y310 HydrophobicContact CD-CE1 4.18Å; K304-Y310 HydrophobicContact CG-CD1 4.25Å; K304-Y310 HydrophobicContact CG-CE1 3.74Å; Y310-N326 HydrophobicContact CE1-CB 4.31Å; Y310-N326 HydrophobicContact CE2-CB 4.06Å; Y310-V328 HydrophobicContact CD2-CG2 4.36Å; Y310-A381 HydrophobicContact CD2-CB 3.93Å; Y310-A381 HydrophobicContact CE2-CB 3.64Å; Y310-V382 PolarHBondContact N-O 3.17Å; Y310-V384 PolarHBondContact O-N 3.43Å
311	L	97	Very high	83.1	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	120	176.3	171.2	60.1	0	0	0	109.9	S303 I305 V384 S393 A394 V397 V416 R420 V423	S303-L311 PolarHBondContact N-O 3.42Å; S303-L311 PolarHBondContact O-N 2.87Å; I305-L311 HydrophobicContact CD1-CB 4.04Å; I305-L311 HydrophobicContact CD1-CD2 4.3Å; I305-L311 HydrophobicContact CG1-CB 3.71Å; L311-V384 WeakPolarHBondContact CA-O 3.38Å; L311-S393 WeakPolarHBondContact CD1-OG 3.32Å; L311-A394 HydrophobicContact CD1-CB 4.32Å; L311-A394 HydrophobicContact CD2-CB 4Å; L311-V397 HydrophobicContact CB-CG2 4.34Å; L311-V397 HydrophobicContact CD1-CG2 4.06Å; L311-V397 HydrophobicContact CD2-CG1 4.38Å; L311-V416 HydrophobicContact CD2-CG1 3.83Å; L311-R420 HydrophobicContact CD2-CB 4.44Å; L311-V423 HydrophobicContact CD2-CG2 3.84Å
312	G	92.3	Very high	83.2	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	178.8	-171.1	0	0	0	0	0	116.9	N316 V384 H385 G389	G312-N316 WeakPolarHBondContact CA-OD1 3.5Å; G312-V384 PolarHBondContact N-O 2.81Å; G312-V384 VanDerWaalsContact N-O 3.1Å; G312-H385 WeakPolarHBondContact O-CA 3.35Å; G312-G389 WeakPolarHBondContact O-CA 3.17Å
313	S	85.2	Confident	83	Confident	3 Å²	3	36 Å²	36	2%	0.021	18%	0.177	C	C	.	.			trans	-82.8	177.8	171.9	64.9	0	0	0	0	112.1	D300 W315 N316 A317 H385 C386 K387	D300-S313 PolarHBondContact OD1-OG 3.4Å; S313-W315 VanDerWaalsContact C-N 3.27Å; S313-W315 PolarHBondContact O-N 3.22Å; S313-W315 PolarHBondContact OG-N 2.67Å; S313-N316 PolarHBondContact N-OD1 3.04Å; S313-N316 PolarHBondContact O-N 2.9Å; S313-N316 PolarHBondContact OG-N 3.29Å; S313-N316 PolarHBondContact OG-OD1 2.83Å; S313-A317 PolarHBondContact O-N 3.26Å; S313-H385 WeakPolarHBondContact O-CB 3.3Å; S313-C386 CarbonylContact C-O 3.56Å; S313-C386 VanDerWaalsContact C-O 3.25Å; S313-K387 CarbonylContact C-O 3.54Å; S313-K387 WeakPolarHBondContact CA-O 2.94Å; S313-K387 WeakPolarHBondContact CB-O 3.4Å
314	E	75.5	Confident	82.3	Confident	18 Å²	18	40.6 Å²	40.6	8%	0.084	20%	0.196	C	C	.	.	H	α-helix	trans	-58.6	-39.5	167.3	66.4	-161.6	144.1	0	0	112.2	N316 A317 A318 I338 F341 C386 K387	E314-N316 VanDerWaalsContact C-N 3.33Å; E314-N316 PolarHBondContact O-N 2.9Å; E314-A317 CarbonylContact O-C 3.57Å; E314-A317 WeakPolarHBondContact O-CA 3.07Å; E314-A317 WeakPolarHBondContact O-CB 3.29Å; E314-A317 PolarHBondContact O-N 3.26Å; E314-A318 PolarHBondContact O-N 3Å; E314-I338 HydrophobicContact CB-CD1 3.47Å; E314-I338 VanDerWaalsContact CB-CD1 3.47Å; E314-I338 HydrophobicContact CG-CD1 4.38Å; E314-I338 VanDerWaalsContact OE2-CD1 3.27Å; E314-I338 WeakPolarHBondContact OE2-CD1 3.29Å; E314-F341 WeakPolarHBondContact O-CE2 3.48Å; E314-C386 PolarHBondContact N-O 2.75Å; E314-K387 VanDerWaalsContact CD-CG 3.48Å; E314-K387 PolarHBondContact N-O 2.92Å; E314-K387 VanDerWaalsContact OE1-CE 3.23Å; E314-K387 WeakPolarHBondContact OE1-CE 3.45Å; E314-K387 WeakPolarHBondContact OE1-CG 3.27Å; E314-K387 WeakPolarHBondContact OE2-CG 3.39Å
315	W	70.9	Confident	81.6	Confident	39 Å²	39	44.4 Å²	44.4	15%	0.148	21%	0.213	C	C	.	.	H	α-helix	trans	-64.1	-36.1	178.8	-49.4	95.6	0	0	0	111.8	L40 S177 D300 S313 A317 A318 N319	L40-W315 HydrophobicContact CD2-CH2 4.28Å; L40-W315 HydrophobicContact CD2-CZ3 4Å; S177-W315 WeakPolarHBondContact OG-CH2 3.44Å; D300-W315 WeakPolarHBondContact OD1-CB 3.49Å; S313-W315 VanDerWaalsContact C-N 3.27Å; S313-W315 PolarHBondContact O-N 3.22Å; S313-W315 PolarHBondContact OG-N 2.67Å; W315-A317 VanDerWaalsContact C-N 3.28Å; W315-A317 PolarHBondContact O-N 3.42Å; W315-A318 PolarHBondContact O-N 2.88Å; W315-A318 VanDerWaalsContact O-N 3.13Å; W315-N319 PolarHBondContact O-N 3.21Å; W315-N319 VanDerWaalsContact O-N 3.11Å
316	N	83.9	Confident	81.2	Confident	4 Å²	4	46.2 Å²	46.2	2%	0.021	22%	0.222	C	C	.	.	H	α-helix	trans	-66.2	-27.9	172.4	-58.7	139.4	0	0	0	113.4	D300 P302 G312 S313 E314 L383	D300-N316 PolarHBondContact O-ND2 2.95Å; P302-N316 HydrophobicContact CB-CB 4.06Å; P302-N316 VanDerWaalsContact CD-ND2 3.35Å; P302-N316 WeakPolarHBondContact CD-ND2 3.38Å; G312-N316 WeakPolarHBondContact CA-OD1 3.5Å; S313-N316 PolarHBondContact N-OD1 3.04Å; S313-N316 PolarHBondContact O-N 2.9Å; S313-N316 PolarHBondContact OG-N 3.29Å; S313-N316 PolarHBondContact OG-OD1 2.83Å; E314-N316 VanDerWaalsContact C-N 3.33Å; E314-N316 PolarHBondContact O-N 2.9Å; N316-L383 HydrophobicContact CB-CD2 4.1Å; N316-L383 WeakPolarHBondContact O-CD2 3.08Å
317	A	78.4	Confident	81.1	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-83.1	-17.9	173.9	0	0	0	0	0	112.9	S313 E314 W315 F341 F342 L383 H385	S313-A317 PolarHBondContact O-N 3.26Å; E314-A317 CarbonylContact O-C 3.57Å; E314-A317 WeakPolarHBondContact O-CA 3.07Å; E314-A317 WeakPolarHBondContact O-CB 3.29Å; E314-A317 PolarHBondContact O-N 3.26Å; W315-A317 VanDerWaalsContact C-N 3.28Å; W315-A317 PolarHBondContact O-N 3.42Å; A317-F341 VanDerWaalsContact C-CD2 3.42Å; A317-F341 HydrophobicContact CB-CD2 3.89Å; A317-F341 HydrophobicContact CB-CE2 4Å; A317-F341 VanDerWaalsContact O-CD2 3.3Å; A317-F341 WeakPolarHBondContact O-CD2 3.18Å; A317-F342 WeakPolarHBondContact O-CE2 3.37Å; A317-L383 HydrophobicContact CB-CD2 3.96Å; A317-H385 HydrophobicContact CB-CB 4.43Å
318	A	59.8	Low	81.3	Confident	36 Å²	36	44.3 Å²	44.3	30%	0.298	21%	0.214	S	C	.	.	H	α-helix	trans	-88.6	-9.8	173.7	0	0	0	0	0	113.7	E314 W315 F320 F341 F342	E314-A318 PolarHBondContact O-N 3Å; W315-A318 PolarHBondContact O-N 2.88Å; W315-A318 VanDerWaalsContact O-N 3.13Å; A318-F320 PolarHBondContact O-N 3.1Å; A318-F341 HydrophobicContact CB-CD1 3.82Å; A318-F341 HydrophobicContact CB-CD2 4.06Å; A318-F341 HydrophobicContact CB-CE1 3.76Å; A318-F341 HydrophobicContact CB-CE2 4Å; A318-F341 HydrophobicContact CB-CG 3.98Å; A318-F341 HydrophobicContact CB-CZ 3.85Å; A318-F342 WeakPolarHBondContact O-CE2 3.42Å; A318-F342 VanDerWaalsContact O-CZ 3.24Å; A318-F342 WeakPolarHBondContact O-CZ 3.49Å
319	N	63.6	Low	81.2	Confident	65 Å²	65	43 Å²	43	35%	0.348	21%	0.21	S	C	.	.			trans	-91.7	84.2	-176.7	-168.3	-5.8	0	0	0	112.4	W315 E321 E322 L323	W315-N319 PolarHBondContact O-N 3.21Å; W315-N319 VanDerWaalsContact O-N 3.11Å; N319-E321 VanDerWaalsContact C-N 3.34Å; N319-E321 PolarHBondContact O-N 3.13Å; N319-E322 HydrophobicContact CB-CB 4.01Å; N319-E322 WeakPolarHBondContact ND2-CB 3.48Å; N319-E322 PolarHBondContact ND2-OE2 3.03Å; N319-E322 PolarHBondContact O-N 3.4Å; N319-E322 PolarHBondContact OD1-N 3.09Å; N319-L323 VanDerWaalsContact O-CG 3.28Å; N319-L323 WeakPolarHBondContact O-CG 3.35Å; N319-L323 PolarHBondContact O-N 3.1Å
320	F	57.2	Low	81.2	Confident	76 Å²	76	44.8 Å²	44.8	33%	0.333	22%	0.217	S	C	.	.	H	α-helix	trans	-53.9	-44.8	-177.6	-170.7	-95.4	0	0	0	113.8	A318 L323 Q324 F342 F346	A318-F320 PolarHBondContact O-N 3.1Å; F320-L323 PolarHBondContact O-N 2.88Å; F320-Q324 HydrophobicContact CD1-CG 3.9Å; F320-Q324 HydrophobicContact CE1-CG 3.56Å; F320-Q324 HydrophobicContact CZ-CG 3.96Å; F320-Q324 WeakPolarHBondContact O-CB 3.37Å; F320-Q324 VanDerWaalsContact O-CG 3.23Å; F320-Q324 WeakPolarHBondContact O-CG 3.38Å; F320-Q324 PolarHBondContact O-N 2.82Å; F320-F342 HydrophobicContact CB-CE1 4.03Å; F320-F342 HydrophobicContact CB-CE2 3.89Å; F320-F342 HydrophobicContact CB-CZ 3.63Å; F320-F342 HydrophobicContact CD2-CB 4.48Å; F320-F342 AromaticContact CD2-CD1 3.76Å; F320-F342 HydrophobicContact CD2-CD1 3.76Å; F320-F342 HydrophobicContact CD2-CD2 4.05Å; F320-F342 AromaticContact CD2-CE1 3.98Å; F320-F342 HydrophobicContact CD2-CE1 3.98Å; F320-F342 HydrophobicContact CD2-CE2 4.24Å; F320-F342 AromaticContact CD2-CG 3.83Å; F320-F342 HydrophobicContact CD2-CG 3.83Å; F320-F342 HydrophobicContact CD2-CZ 4.22Å; F320-F342 HydrophobicContact CE2-CD1 4.49Å; F320-F342 HydrophobicContact CG-CE1 4.42Å; F320-F342 HydrophobicContact CG-CZ 4.42Å; F320-F346 AromaticContact CD2-CE2 3.9Å; F320-F346 HydrophobicContact CD2-CE2 3.9Å; F320-F346 HydrophobicContact CD2-CZ 4.16Å; F320-F346 AromaticContact CE2-CE2 3.87Å; F320-F346 HydrophobicContact CE2-CE2 3.87Å; F320-F346 HydrophobicContact CE2-CZ 4.11Å
321	E	56	Low	81.2	Confident	153 Å²	153	43.7 Å²	43.7	72%	0.715	21%	0.213	S	C	*	.	H	α-helix	trans	-67.3	-38.4	-176.6	-63.3	-172.6	-174.8	0	0	111.7	N319 K325	N319-E321 VanDerWaalsContact C-N 3.34Å; N319-E321 PolarHBondContact O-N 3.13Å; E321-K325 WeakPolarHBondContact O-CB 3.49Å; E321-K325 PolarHBondContact O-N 3.37Å
322	E	74.9	Confident	81.3	Confident	40 Å²	40	43.7 Å²	43.7	19%	0.187	21%	0.213	C	C	.	.	H	α-helix	trans	-71.5	-38.3	175.7	-179.3	168.7	-137.3	0	0	112.6	P302 N319 K325 N326	P302-E322 VanDerWaalsContact CD-CD 3.46Å; P302-E322 WeakPolarHBondContact CD-OE1 3.41Å; P302-E322 HydrophobicContact CG-CG 4.15Å; N319-E322 HydrophobicContact CB-CB 4.01Å; N319-E322 WeakPolarHBondContact ND2-CB 3.48Å; N319-E322 PolarHBondContact ND2-OE2 3.03Å; N319-E322 PolarHBondContact O-N 3.4Å; N319-E322 PolarHBondContact OD1-N 3.09Å; E322-K325 PolarHBondContact O-N 3.12Å; E322-N326 VanDerWaalsContact CG-ND2 3.34Å; E322-N326 WeakPolarHBondContact CG-ND2 3.29Å; E322-N326 VanDerWaalsContact O-CB 3.27Å; E322-N326 WeakPolarHBondContact O-CB 3.31Å; E322-N326 VanDerWaalsContact O-CG 3.28Å; E322-N326 PolarHBondContact O-N 3.41Å; E322-N326 PolarHBondContact O-ND2 3.3Å; E322-N326 VanDerWaalsContact O-ND2 3.12Å
323	L	81.1	Confident	81.5	Confident	5 Å²	5	43.7 Å²	43.7	3%	0.026	21%	0.213	C	C	.	.	H	α-helix	trans	-59.6	-47	172.9	-70.8	165.7	0	0	0	111.2	N319 F320 N326 N327 V328 I331 F342 F346 L383	N319-L323 VanDerWaalsContact O-CG 3.28Å; N319-L323 WeakPolarHBondContact O-CG 3.35Å; N319-L323 PolarHBondContact O-N 3.1Å; F320-L323 PolarHBondContact O-N 2.88Å; L323-N326 PolarHBondContact O-N 3.43Å; L323-N327 PolarHBondContact O-N 3.35Å; L323-V328 HydrophobicContact CB-CB 4.33Å; L323-V328 HydrophobicContact CD2-CB 4.01Å; L323-V328 HydrophobicContact CD2-CG1 3.91Å; L323-V328 HydrophobicContact CD2-CG2 4.06Å; L323-V328 WeakPolarHBondContact O-CB 3.46Å; L323-V328 PolarHBondContact O-N 2.85Å; L323-I331 HydrophobicContact CD1-CD1 3.88Å; L323-I331 HydrophobicContact CD2-CD1 3.98Å; L323-I331 HydrophobicContact CD2-CG1 4.47Å; L323-F342 HydrophobicContact CD1-CD2 3.81Å; L323-F342 HydrophobicContact CD1-CE2 3.94Å; L323-F346 HydrophobicContact CB-CE1 3.74Å; L323-F346 HydrophobicContact CB-CE2 4.5Å; L323-F346 HydrophobicContact CB-CZ 3.56Å; L323-F346 HydrophobicContact CD1-CE2 4.06Å; L323-F346 HydrophobicContact CD1-CZ 3.92Å; L323-F346 HydrophobicContact CG-CZ 4.34Å; L323-L383 HydrophobicContact CD2-CB 4.23Å; L323-L383 HydrophobicContact CD2-CD2 3.76Å
324	Q	78.3	Confident	82.1	Confident	115 Å²	115	43.6 Å²	43.6	54%	0.537	21%	0.212	S	C	.	.	H	α-helix	trans	-61.9	-50.2	174.9	-69.5	-100.7	-48.9	0	0	111.7	F320 N326 N327	F320-Q324 HydrophobicContact CD1-CG 3.9Å; F320-Q324 HydrophobicContact CE1-CG 3.56Å; F320-Q324 HydrophobicContact CZ-CG 3.96Å; F320-Q324 WeakPolarHBondContact O-CB 3.37Å; F320-Q324 VanDerWaalsContact O-CG 3.23Å; F320-Q324 WeakPolarHBondContact O-CG 3.38Å; F320-Q324 PolarHBondContact O-N 2.82Å; Q324-N326 PolarHBondContact O-N 2.94Å; Q324-N327 PolarHBondContact O-N 3.36Å
325	K	80.2	Confident	82.6	Confident	177 Å²	177	42.7 Å²	42.7	77%	0.77	21%	0.208	S	C	*	.	H	α-helix	trans	-56.6	-36.2	179	-179	-175.1	177.4	-172.5	0	112.7	E321 E322 N327	E321-K325 WeakPolarHBondContact O-CB 3.49Å; E321-K325 PolarHBondContact O-N 3.37Å; E322-K325 PolarHBondContact O-N 3.12Å; K325-N327 VanDerWaalsContact C-N 3.3Å; K325-N327 PolarHBondContact O-N 2.76Å
326	N	88.8	Confident	83	Confident	39 Å²	39	47.3 Å²	47.3	21%	0.209	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	8.4	179.8	-69.3	-31.3	0	0	0	113.9	Y310 E322 L323 Q324 V328	Y310-N326 HydrophobicContact CE1-CB 4.31Å; Y310-N326 HydrophobicContact CE2-CB 4.06Å; E322-N326 VanDerWaalsContact CG-ND2 3.34Å; E322-N326 WeakPolarHBondContact CG-ND2 3.29Å; E322-N326 VanDerWaalsContact O-CB 3.27Å; E322-N326 WeakPolarHBondContact O-CB 3.31Å; E322-N326 VanDerWaalsContact O-CG 3.28Å; E322-N326 PolarHBondContact O-N 3.41Å; E322-N326 PolarHBondContact O-ND2 3.3Å; E322-N326 VanDerWaalsContact O-ND2 3.12Å; L323-N326 PolarHBondContact O-N 3.43Å; Q324-N326 PolarHBondContact O-N 2.94Å; N326-V328 HydrophobicContact CB-CG2 4.07Å; N326-V328 PolarHBondContact O-N 3.05Å
327	N	94.5	Very high	82.6	Confident	94 Å²	94	51.1 Å²	51.1	50%	0.503	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	37.6	-175.8	-172.7	41.9	0	0	0	113.1	L323 Q324 K325 G329 G379 A381	L323-N327 PolarHBondContact O-N 3.35Å; Q324-N327 PolarHBondContact O-N 3.36Å; K325-N327 VanDerWaalsContact C-N 3.3Å; K325-N327 PolarHBondContact O-N 2.76Å; N327-G329 PolarHBondContact O-N 2.92Å; N327-G379 PolarHBondContact ND2-O 2.67Å; N327-G379 VanDerWaalsContact ND2-O 3.16Å; N327-A381 PolarHBondContact O-N 3.18Å
328	V	96.8	Very high	81.8	Confident	11 Å²	11	51.8 Å²	51.8	7%	0.067	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	126.4	175.3	-178.1	0	0	0	0	108.8	Y310 L323 N326 Y330 I331 F346 A381 L383	Y310-V328 HydrophobicContact CD2-CG2 4.36Å; L323-V328 HydrophobicContact CB-CB 4.33Å; L323-V328 HydrophobicContact CD2-CB 4.01Å; L323-V328 HydrophobicContact CD2-CG1 3.91Å; L323-V328 HydrophobicContact CD2-CG2 4.06Å; L323-V328 WeakPolarHBondContact O-CB 3.46Å; L323-V328 PolarHBondContact O-N 2.85Å; N326-V328 HydrophobicContact CB-CG2 4.07Å; N326-V328 PolarHBondContact O-N 3.05Å; V328-Y330 WeakPolarHBondContact CG1-O 3.5Å; V328-I331 HydrophobicContact CG1-CG1 4.04Å; V328-F346 HydrophobicContact CB-CE1 4.4Å; V328-F346 HydrophobicContact CG1-CD1 4.28Å; V328-F346 WeakPolarHBondContact O-CD1 3.37Å; V328-F346 WeakPolarHBondContact O-CE1 3.37Å; V328-A381 WeakPolarHBondContact CA-O 3.48Å; V328-A381 HydrophobicContact CG2-CB 4.15Å; V328-L383 HydrophobicContact CG1-CB 4.24Å
329	G	94.6	Very high	82.1	Confident	5 Å²	5	54.5 Å²	54.5	5%	0.052	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	-14.1	171.1	0	0	0	0	0	113.4	N327 T347 A381	N327-G329 PolarHBondContact O-N 2.92Å; G329-T347 PolarHBondContact O-N 3.45Å; G329-A381 PolarHBondContact N-O 2.78Å
330	Y	98.4	Very high	82.4	Confident	38 Å²	38	52.9 Å²	52.9	15%	0.149	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	141.1	-171.5	-70.9	-105.2	0	0	0	111	V328 T347 F371 A375 S378 Q380 A381 V382 L383	V328-Y330 WeakPolarHBondContact CG1-O 3.5Å; Y330-T347 CarbonylContact C-O 3.57Å; Y330-T347 VanDerWaalsContact CA-O 3.24Å; Y330-T347 WeakPolarHBondContact CA-O 3.28Å; Y330-T347 HydrophobicContact CD1-CG2 3.79Å; Y330-T347 HydrophobicContact CE1-CG2 3.65Å; Y330-F371 HydrophobicContact CD1-CD2 4.42Å; Y330-F371 HydrophobicContact CD1-CE1 4.32Å; Y330-F371 AromaticContact CD1-CE2 3.81Å; Y330-F371 HydrophobicContact CD1-CE2 3.81Å; Y330-F371 AromaticContact CD1-CZ 3.76Å; Y330-F371 HydrophobicContact CD1-CZ 3.76Å; Y330-F371 HydrophobicContact CE1-CE2 4.49Å; Y330-F371 HydrophobicContact CG-CZ 4.41Å; Y330-A375 HydrophobicContact CD1-CB 4.11Å; Y330-A375 HydrophobicContact CD2-CB 3.37Å; Y330-A375 HydrophobicContact CE2-CB 3.94Å; Y330-A375 HydrophobicContact CG-CB 3.5Å; Y330-A375 VanDerWaalsContact CG-CB 3.5Å; Y330-S378 WeakPolarHBondContact CE2-OG 3.35Å; Y330-Q380 HydrophobicContact CD2-CB 4.31Å; Y330-Q380 HydrophobicContact CE2-CB 4.42Å; Y330-A381 PolarHBondContact N-O 2.9Å; Y330-V382 VanDerWaalsContact O-CA 3.23Å; Y330-V382 WeakPolarHBondContact O-CA 2.81Å; Y330-L383 PolarHBondContact O-N 2.77Å
331	I	98.1	Very high	82.4	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	122.5	178.7	-57.5	176.5	0	0	0	110.1	L323 V328 F346 T347 Y348 M349 L383	L323-I331 HydrophobicContact CD1-CD1 3.88Å; L323-I331 HydrophobicContact CD2-CD1 3.98Å; L323-I331 HydrophobicContact CD2-CG1 4.47Å; V328-I331 HydrophobicContact CG1-CG1 4.04Å; I331-F346 HydrophobicContact CD1-CB 3.88Å; I331-F346 HydrophobicContact CD1-CD1 4.16Å; I331-F346 HydrophobicContact CD1-CD2 3.87Å; I331-F346 HydrophobicContact CD1-CE2 4.45Å; I331-F346 HydrophobicContact CD1-CG 3.7Å; I331-F346 HydrophobicContact CG1-CB 4.05Å; I331-F346 HydrophobicContact CG1-CG 4.25Å; I331-T347 PolarHBondContact N-O 3.41Å; I331-Y348 HydrophobicContact CB-CD1 3.72Å; I331-Y348 HydrophobicContact CB-CE1 3.52Å; I331-Y348 HydrophobicContact CB-CE2 4.46Å; I331-Y348 HydrophobicContact CB-CG 4.33Å; I331-Y348 HydrophobicContact CD1-CE1 4.13Å; I331-Y348 HydrophobicContact CD1-CE2 4.26Å; I331-Y348 WeakPolarHBondContact CD1-OH 3.38Å; I331-Y348 HydrophobicContact CG1-CE1 4.38Å; I331-Y348 HydrophobicContact CG2-CD1 3.87Å; I331-Y348 HydrophobicContact CG2-CE1 3.41Å; I331-Y348 VanDerWaalsContact CG2-CE1 3.41Å; I331-Y348 VanDerWaalsContact O-CA 3.28Å; I331-Y348 WeakPolarHBondContact O-CA 3.14Å; I331-M349 PolarHBondContact O-N 3.48Å; I331-L383 CarbonylContact C-O 3.53Å; I331-L383 WeakPolarHBondContact CA-O 3.41Å; I331-L383 HydrophobicContact CG1-CB 4.46Å
332	L	98.6	Very high	82.9	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	102.2	176.7	174.3	54.6	0	0	0	109.4	V334 M349 I351 T368 F371 I372 L383 V384 H385 T396	L332-V334 HydrophobicContact CD1-CG2 4.29Å; L332-V334 HydrophobicContact CD2-CG2 4.49Å; L332-V334 HydrophobicContact CG-CG2 3.9Å; L332-M349 WeakPolarHBondContact CA-O 3.26Å; L332-M349 HydrophobicContact CD1-CB 3.86Å; L332-M349 HydrophobicContact CD1-CG 3.71Å; L332-M349 HydrophobicContact CD1-SD 3.83Å; L332-I351 HydrophobicContact CD1-CD1 4.23Å; L332-I351 HydrophobicContact CD1-CG1 4.5Å; L332-T368 HydrophobicContact CD1-CG2 4.09Å; L332-T368 HydrophobicContact CD2-CG2 3.68Å; L332-F371 HydrophobicContact CB-CD1 4.16Å; L332-F371 HydrophobicContact CB-CE1 3.9Å; L332-I372 HydrophobicContact CD2-CD1 4.21Å; L332-I372 HydrophobicContact CD2-CG1 4.41Å; L332-L383 PolarHBondContact N-O 2.9Å; L332-V384 HydrophobicContact CB-CB 4.44Å; L332-V384 HydrophobicContact CB-CG1 4.27Å; L332-V384 HydrophobicContact CB-CG2 4.12Å; L332-V384 HydrophobicContact CD2-CG1 3.87Å; L332-V384 HydrophobicContact CD2-CG2 4.04Å; L332-V384 HydrophobicContact CG-CG1 4.03Å; L332-H385 PolarHBondContact O-CD2 2.86Å; L332-H385 PolarHBondContact O-N 3.32Å; L332-T396 HydrophobicContact CD2-CG2 3.94Å
333	N	96.8	Very high	82.6	Confident	0 Å²	0	49 Å²	49	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	108	178.1	179.1	-5.9	0	0	0	109.8	T335 I338 N340 M349 I351 H385	N333-T335 PolarHBondContact OD1-N 3.2Å; N333-T335 VanDerWaalsContact OD1-N 3.15Å; N333-T335 PolarHBondContact OD1-OG1 2.9Å; N333-I338 PolarHBondContact ND2-O 2.96Å; N333-N340 PolarHBondContact ND2-OD1 2.86Å; N333-M349 PolarHBondContact N-O 3Å; N333-I351 PolarHBondContact O-N 3.15Å; N333-H385 WeakPolarHBondContact CA-NE2 3.5Å; N333-H385 VanDerWaalsContact CB-NE2 3.34Å; N333-H385 WeakPolarHBondContact CB-NE2 3.44Å
334	V	97.5	Very high	81.9	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.276	C	S	.	.			trans	-103.2	55.2	178.7	-161.3	0	0	0	0	110.1	L332 I351 V353 L361 V384 H385 R392	L332-V334 HydrophobicContact CD1-CG2 4.29Å; L332-V334 HydrophobicContact CD2-CG2 4.49Å; L332-V334 HydrophobicContact CG-CG2 3.9Å; V334-I351 CarbonylContact C-O 3.6Å; V334-I351 HydrophobicContact CG1-CB 4.23Å; V334-I351 HydrophobicContact CG1-CG2 4.24Å; V334-V353 HydrophobicContact CG1-CG2 4.44Å; V334-L361 HydrophobicContact CG1-CD2 3.93Å; V334-V384 HydrophobicContact CG2-CG1 4.11Å; V334-H385 PolarHBondContact N-O 3.15Å; V334-R392 HydrophobicContact CB-CB 4.33Å; V334-R392 HydrophobicContact CG1-CB 3.92Å; V334-R392 HydrophobicContact CG1-CG 4.45Å; V334-R392 VanDerWaalsContact O-CD 3.29Å; V334-R392 WeakPolarHBondContact O-CD 3.22Å
335	T	85.4	Confident	81.4	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.273	C	S	.	.			trans	-139.8	153.5	176.2	73.4	0	0	0	0	112.7	N333 I338 I351 R352 V353 C386	N333-T335 PolarHBondContact OD1-N 3.2Å; N333-T335 VanDerWaalsContact OD1-N 3.15Å; N333-T335 PolarHBondContact OD1-OG1 2.9Å; T335-I338 HydrophobicContact CG2-CB 4.45Å; T335-I338 HydrophobicContact CG2-CD1 3.74Å; T335-I338 HydrophobicContact CG2-CG1 3.92Å; T335-I338 VanDerWaalsContact OG1-CB 3.26Å; T335-I338 WeakPolarHBondContact OG1-CB 3.41Å; T335-I338 WeakPolarHBondContact OG1-CG1 3.5Å; T335-I338 PolarHBondContact OG1-N 2.9Å; T335-I338 PolarHBondContact OG1-O 3.3Å; T335-I351 CarbonylContact C-O 3.48Å; T335-I351 PolarHBondContact N-O 3.24Å; T335-R352 VanDerWaalsContact O-CA 3.3Å; T335-R352 WeakPolarHBondContact O-CA 3.29Å; T335-R352 WeakPolarHBondContact O-CD 3.39Å; T335-V353 CarbonylContact C-O 3.59Å; T335-V353 WeakPolarHBondContact CA-O 3.42Å; T335-C386 VanDerWaalsContact CG2-CA 3.4Å; T335-C386 HydrophobicContact CG2-CB 3.84Å
336	R	79.8	Confident	81.9	Confident	135 Å²	135	47.4 Å²	47.4	51%	0.509	24%	0.238	S	C	.	.	S	Bend	trans	-83.7	-35.7	167.9	179.6	52.3	169.1	-135.5	12	111.3	R352 V353 Y354	R336-R352 WeakPolarHBondContact CD-O 3.39Å; R336-R352 PolarHBondContact NH1-O 3.01Å; R336-V353 PolarHBondContact N-O 2.77Å; R336-Y354 HydrophobicContact CB-CD1 3.73Å; R336-Y354 HydrophobicContact CB-CD2 4.42Å; R336-Y354 HydrophobicContact CB-CE1 3.65Å; R336-Y354 HydrophobicContact CB-CE2 4.36Å; R336-Y354 HydrophobicContact CB-CG 4.13Å; R336-Y354 HydrophobicContact CG-CD1 4.18Å; R336-Y354 HydrophobicContact CG-CD2 4.4Å; R336-Y354 HydrophobicContact CG-CE1 3.63Å; R336-Y354 HydrophobicContact CG-CE2 3.88Å; R336-Y354 VanDerWaalsContact CG-CZ 3.47Å
337	E	75.6	Confident	82.2	Confident	84 Å²	84	48.9 Å²	48.9	39%	0.393	25%	0.249	S	C	.	.	S	Bend	trans	-96.6	-4.4	-160.6	68.2	-80.7	-165.8	0	0	115	Y354 R392	E337-Y354 HydrophobicContact CB-CE1 4.39Å; E337-R392 IonicContact OE1-CZ 3.7Å; E337-R392 IonicContact OE1-NH1 3.36Å; E337-R392 PolarHBondContact OE1-NH1 3.29Å; E337-R392 IonicContact OE1-NH2 3.79Å; E337-R392 PolarHBondContact OE1-NH2 3.31Å; E337-R392 IonicContact OE2-CZ 3.52Å; E337-R392 IonicContact OE2-NH1 3.77Å; E337-R392 PolarHBondContact OE2-NH1 3.07Å
338	I	61.8	Low	82.4	Confident	15 Å²	15	46.3 Å²	46.3	8%	0.077	23%	0.233	C	C	.	.			trans	-122.6	133	179.9	-37.3	-176.2	0	0	0	109	E314 N333 T335 F341 R352 K387	E314-I338 HydrophobicContact CB-CD1 3.47Å; E314-I338 VanDerWaalsContact CB-CD1 3.47Å; E314-I338 HydrophobicContact CG-CD1 4.38Å; E314-I338 VanDerWaalsContact OE2-CD1 3.27Å; E314-I338 WeakPolarHBondContact OE2-CD1 3.29Å; N333-I338 PolarHBondContact ND2-O 2.96Å; T335-I338 HydrophobicContact CG2-CB 4.45Å; T335-I338 HydrophobicContact CG2-CD1 3.74Å; T335-I338 HydrophobicContact CG2-CG1 3.92Å; T335-I338 VanDerWaalsContact OG1-CB 3.26Å; T335-I338 WeakPolarHBondContact OG1-CB 3.41Å; T335-I338 WeakPolarHBondContact OG1-CG1 3.5Å; T335-I338 PolarHBondContact OG1-N 2.9Å; T335-I338 PolarHBondContact OG1-O 3.3Å; I338-F341 HydrophobicContact CG2-CE2 3.95Å; I338-F341 HydrophobicContact CG2-CZ 3.83Å; I338-R352 PolarHBondContact O-NH1 3.24Å; I338-K387 HydrophobicContact CD1-CB 4.14Å; I338-K387 HydrophobicContact CD1-CG 4.32Å
339	D	65.7	Low	82.4	Confident	92 Å²	92	47.5 Å²	47.5	49%	0.492	24%	0.238	S	C	.	.			trans	-91.5	177.8	173.8	-75.9	-55	0	0	0	112.2	R352	D339-R352 IonicContact OD1-CZ 2.73Å; D339-R352 IonicContact OD1-NH1 3.71Å; D339-R352 PolarHBondContact OD1-NH1 3.15Å; D339-R352 IonicContact OD1-NH2 2.69Å; D339-R352 PolarHBondContact OD1-NH2 3.41Å
340	N	70	Confident	82.5	Confident	31 Å²	31	50.5 Å²	50.5	17%	0.166	25%	0.253	C	S	.	.			trans	-91.1	115.3	-171.2	-65.8	0.4	0	0	0	108.8	N333 F342 P343 Y348 N350	N333-N340 PolarHBondContact ND2-OD1 2.86Å; N340-F342 VanDerWaalsContact C-N 3.35Å; N340-F342 PolarHBondContact O-N 2.92Å; N340-P343 HydrophobicContact CB-CB 4.37Å; N340-P343 WeakPolarHBondContact O-CD 3.45Å; N340-Y348 HydrophobicContact CB-CD1 3.72Å; N340-Y348 HydrophobicContact CB-CD2 4.25Å; N340-Y348 HydrophobicContact CB-CE1 3.52Å; N340-Y348 HydrophobicContact CB-CE2 4.11Å; N340-Y348 HydrophobicContact CB-CG 4.07Å; N340-Y348 VanDerWaalsContact ND2-CB 3.29Å; N340-Y348 WeakPolarHBondContact ND2-CB 3.46Å; N340-Y348 WeakPolarHBondContact ND2-CD1 3.13Å; N340-N350 PolarHBondContact ND2-ND2 3.15Å; N340-N350 VanDerWaalsContact ND2-ND2 3.12Å; N340-N350 PolarHBondContact ND2-OD1 3.14Å; N340-N350 PolarHBondContact OD1-OD1 3.24Å; N340-N350 VanDerWaalsContact OD1-OD1 3.13Å
341	F	57.6	Low	82.5	Confident	56 Å²	56	49 Å²	49	25%	0.246	25%	0.247	C	C	.	.	S	Bend	trans	-64.2	-33	-174.4	-61.6	-81	0	0	0	114.3	L42 E314 A317 A318 I338 Y348	L42-F341 HydrophobicContact CD2-CE1 4.02Å; E314-F341 WeakPolarHBondContact O-CE2 3.48Å; A317-F341 VanDerWaalsContact C-CD2 3.42Å; A317-F341 HydrophobicContact CB-CD2 3.89Å; A317-F341 HydrophobicContact CB-CE2 4Å; A317-F341 VanDerWaalsContact O-CD2 3.3Å; A317-F341 WeakPolarHBondContact O-CD2 3.18Å; A318-F341 HydrophobicContact CB-CD1 3.82Å; A318-F341 HydrophobicContact CB-CD2 4.06Å; A318-F341 HydrophobicContact CB-CE1 3.76Å; A318-F341 HydrophobicContact CB-CE2 4Å; A318-F341 HydrophobicContact CB-CG 3.98Å; A318-F341 HydrophobicContact CB-CZ 3.85Å; I338-F341 HydrophobicContact CG2-CE2 3.95Å; I338-F341 HydrophobicContact CG2-CZ 3.83Å; F341-Y348 PolarHBondContact N-OH 3.31Å
342	F	67	Low	82.3	Confident	48 Å²	48	52.3 Å²	52.3	21%	0.211	26%	0.26	C	S	.	.			trans	-136.4	53	-169.9	-54.9	-58.9	0	0	0	113.2	A317 A318 F320 L323 N340 E344 S345 F346 Y348	A317-F342 WeakPolarHBondContact O-CE2 3.37Å; A318-F342 WeakPolarHBondContact O-CE2 3.42Å; A318-F342 VanDerWaalsContact O-CZ 3.24Å; A318-F342 WeakPolarHBondContact O-CZ 3.49Å; F320-F342 HydrophobicContact CB-CE1 4.03Å; F320-F342 HydrophobicContact CB-CE2 3.89Å; F320-F342 HydrophobicContact CB-CZ 3.63Å; F320-F342 HydrophobicContact CD2-CB 4.48Å; F320-F342 AromaticContact CD2-CD1 3.76Å; F320-F342 HydrophobicContact CD2-CD1 3.76Å; F320-F342 HydrophobicContact CD2-CD2 4.05Å; F320-F342 AromaticContact CD2-CE1 3.98Å; F320-F342 HydrophobicContact CD2-CE1 3.98Å; F320-F342 HydrophobicContact CD2-CE2 4.24Å; F320-F342 AromaticContact CD2-CG 3.83Å; F320-F342 HydrophobicContact CD2-CG 3.83Å; F320-F342 HydrophobicContact CD2-CZ 4.22Å; F320-F342 HydrophobicContact CE2-CD1 4.49Å; F320-F342 HydrophobicContact CG-CE1 4.42Å; F320-F342 HydrophobicContact CG-CZ 4.42Å; L323-F342 HydrophobicContact CD1-CD2 3.81Å; L323-F342 HydrophobicContact CD1-CE2 3.94Å; N340-F342 VanDerWaalsContact C-N 3.35Å; N340-F342 PolarHBondContact O-N 2.92Å; F342-E344 PolarHBondContact O-N 3.3Å; F342-S345 PolarHBondContact O-N 3Å; F342-F346 HydrophobicContact CB-CD2 3.53Å; F342-F346 HydrophobicContact CB-CE2 3.54Å; F342-F346 HydrophobicContact CD2-CD2 4.44Å; F342-F346 AromaticContact CD2-CE2 3.88Å; F342-F346 HydrophobicContact CD2-CE2 3.88Å; F342-F346 HydrophobicContact CG-CD2 4.38Å; F342-F346 AromaticContact CG-CE2 3.95Å; F342-F346 HydrophobicContact CG-CE2 3.95Å; F342-F346 PolarHBondContact O-N 3.12Å; F342-Y348 PolarHBondContact N-OH 2.86Å; F342-Y348 VanDerWaalsContact N-OH 3.13Å; F342-Y348 WeakPolarHBondContact O-CE2 3.4Å
343	P	68.1	Low	81.9	Confident	84 Å²	84	53.4 Å²	53.4	55%	0.545	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-16.9	-163.8	29.6	-35.8	0	0	0	114.6	N340	N340-P343 HydrophobicContact CB-CB 4.37Å; N340-P343 WeakPolarHBondContact O-CD 3.45Å
344	E	66	Low	81.3	Confident	185 Å²	185	60 Å²	60	86%	0.864	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-16.5	176	-56.1	-167.9	157.3	0	0	113.4	F342	F342-E344 PolarHBondContact O-N 3.3Å
345	S	67.8	Low	80.7	Confident	69 Å²	69	62.7 Å²	62.7	48%	0.483	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	-19.6	-173.9	-55.9	0	0	0	0	114.5	F342	F342-S345 PolarHBondContact O-N 3Å
346	F	90.4	Very high	80.7	Confident	10 Å²	10	66.3 Å²	66.3	4%	0.044	33%	0.328	C	S	.	.	S	Bend	trans	-135.7	150.4	-179.6	-50.3	-93.4	0	0	0	110	F320 L323 V328 I331 F342 Y348	F320-F346 AromaticContact CD2-CE2 3.9Å; F320-F346 HydrophobicContact CD2-CE2 3.9Å; F320-F346 HydrophobicContact CD2-CZ 4.16Å; F320-F346 AromaticContact CE2-CE2 3.87Å; F320-F346 HydrophobicContact CE2-CE2 3.87Å; F320-F346 HydrophobicContact CE2-CZ 4.11Å; L323-F346 HydrophobicContact CB-CE1 3.74Å; L323-F346 HydrophobicContact CB-CE2 4.5Å; L323-F346 HydrophobicContact CB-CZ 3.56Å; L323-F346 HydrophobicContact CD1-CE2 4.06Å; L323-F346 HydrophobicContact CD1-CZ 3.92Å; L323-F346 HydrophobicContact CG-CZ 4.34Å; V328-F346 HydrophobicContact CB-CE1 4.4Å; V328-F346 HydrophobicContact CG1-CD1 4.28Å; V328-F346 WeakPolarHBondContact O-CD1 3.37Å; V328-F346 WeakPolarHBondContact O-CE1 3.37Å; I331-F346 HydrophobicContact CD1-CB 3.88Å; I331-F346 HydrophobicContact CD1-CD1 4.16Å; I331-F346 HydrophobicContact CD1-CD2 3.87Å; I331-F346 HydrophobicContact CD1-CE2 4.45Å; I331-F346 HydrophobicContact CD1-CG 3.7Å; I331-F346 HydrophobicContact CG1-CB 4.05Å; I331-F346 HydrophobicContact CG1-CG 4.25Å; F342-F346 HydrophobicContact CB-CD2 3.53Å; F342-F346 HydrophobicContact CB-CE2 3.54Å; F342-F346 HydrophobicContact CD2-CD2 4.44Å; F342-F346 AromaticContact CD2-CE2 3.88Å; F342-F346 HydrophobicContact CD2-CE2 3.88Å; F342-F346 HydrophobicContact CG-CD2 4.38Å; F342-F346 AromaticContact CG-CE2 3.95Å; F342-F346 HydrophobicContact CG-CE2 3.95Å; F342-F346 PolarHBondContact O-N 3.12Å; F346-Y348 HydrophobicContact CB-CD2 4.43Å; F346-Y348 HydrophobicContact CB-CE2 4.06Å; F346-Y348 VanDerWaalsContact O-CD2 3.28Å; F346-Y348 WeakPolarHBondContact O-CD2 3.12Å; F346-Y348 PolarHBondContact O-N 3.1Å
347	T	96.7	Very high	81	Confident	70 Å²	70	64.8 Å²	64.8	43%	0.429	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	121.2	173.7	-57.3	0	0	0	0	109.4	G329 Y330 I331 F371	G329-T347 PolarHBondContact O-N 3.45Å; Y330-T347 CarbonylContact C-O 3.57Å; Y330-T347 VanDerWaalsContact CA-O 3.24Å; Y330-T347 WeakPolarHBondContact CA-O 3.28Å; Y330-T347 HydrophobicContact CD1-CG2 3.79Å; Y330-T347 HydrophobicContact CE1-CG2 3.65Å; I331-T347 PolarHBondContact N-O 3.41Å; T347-F371 HydrophobicContact CG2-CE2 4.14Å; T347-F371 WeakPolarHBondContact O-CZ 3.1Å
348	Y	97.2	Very high	81.7	Confident	40 Å²	40	65.6 Å²	65.6	16%	0.157	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	147.8	-178.3	-81.8	-96.6	0	0	0	114.2	I331 N340 F341 F342 F346	I331-Y348 HydrophobicContact CB-CD1 3.72Å; I331-Y348 HydrophobicContact CB-CE1 3.52Å; I331-Y348 HydrophobicContact CB-CE2 4.46Å; I331-Y348 HydrophobicContact CB-CG 4.33Å; I331-Y348 HydrophobicContact CD1-CE1 4.13Å; I331-Y348 HydrophobicContact CD1-CE2 4.26Å; I331-Y348 WeakPolarHBondContact CD1-OH 3.38Å; I331-Y348 HydrophobicContact CG1-CE1 4.38Å; I331-Y348 HydrophobicContact CG2-CD1 3.87Å; I331-Y348 HydrophobicContact CG2-CE1 3.41Å; I331-Y348 VanDerWaalsContact CG2-CE1 3.41Å; I331-Y348 VanDerWaalsContact O-CA 3.28Å; I331-Y348 WeakPolarHBondContact O-CA 3.14Å; N340-Y348 HydrophobicContact CB-CD1 3.72Å; N340-Y348 HydrophobicContact CB-CD2 4.25Å; N340-Y348 HydrophobicContact CB-CE1 3.52Å; N340-Y348 HydrophobicContact CB-CE2 4.11Å; N340-Y348 HydrophobicContact CB-CG 4.07Å; N340-Y348 VanDerWaalsContact ND2-CB 3.29Å; N340-Y348 WeakPolarHBondContact ND2-CB 3.46Å; N340-Y348 WeakPolarHBondContact ND2-CD1 3.13Å; F341-Y348 PolarHBondContact N-OH 3.31Å; F342-Y348 PolarHBondContact N-OH 2.86Å; F342-Y348 VanDerWaalsContact N-OH 3.13Å; F342-Y348 WeakPolarHBondContact O-CE2 3.4Å; F346-Y348 HydrophobicContact CB-CD2 4.43Å; F346-Y348 HydrophobicContact CB-CE2 4.06Å; F346-Y348 VanDerWaalsContact O-CD2 3.28Å; F346-Y348 WeakPolarHBondContact O-CD2 3.12Å; F346-Y348 PolarHBondContact O-N 3.1Å
349	M	98.1	Very high	83.2	Confident	36 Å²	36	65.8 Å²	65.8	18%	0.177	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	136.5	159.9	175.7	-176.6	-179.7	0	0	109.3	I331 L332 N333 I351 D367 T368 F371	I331-M349 PolarHBondContact O-N 3.48Å; L332-M349 WeakPolarHBondContact CA-O 3.26Å; L332-M349 HydrophobicContact CD1-CB 3.86Å; L332-M349 HydrophobicContact CD1-CG 3.71Å; L332-M349 HydrophobicContact CD1-SD 3.83Å; N333-M349 PolarHBondContact N-O 3Å; M349-I351 HydrophobicContact CE-CD1 4.11Å; M349-I351 HydrophobicContact CE-CG1 4.21Å; M349-D367 HydrophobicContact CE-CB 3.62Å; M349-T368 HydrophobicContact CE-CG2 3.86Å; M349-T368 HydrophobicContact SD-CG2 4.2Å; M349-F371 HydrophobicContact CB-CD1 3.97Å; M349-F371 HydrophobicContact CB-CD2 3.59Å; M349-F371 HydrophobicContact CB-CE1 3.87Å; M349-F371 HydrophobicContact CB-CE2 3.46Å; M349-F371 VanDerWaalsContact CB-CE2 3.46Å; M349-F371 HydrophobicContact CB-CG 3.82Å; M349-F371 HydrophobicContact CB-CZ 3.6Å; M349-F371 HydrophobicContact CG-CD2 4.41Å; M349-F371 HydrophobicContact CG-CG 4.43Å; M349-F371 HydrophobicContact SD-CB 3.62Å; M349-F371 HydrophobicContact SD-CD1 4.3Å; M349-F371 HydrophobicContact SD-CD2 4.2Å; M349-F371 HydrophobicContact SD-CG 3.8Å
350	N	96.6	Very high	84.6	Confident	68 Å²	68	65.1 Å²	65.1	36%	0.364	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	118.6	-171.1	-67.9	-3	0	0	0	111.5	N340 R352	N340-N350 PolarHBondContact ND2-ND2 3.15Å; N340-N350 VanDerWaalsContact ND2-ND2 3.12Å; N340-N350 PolarHBondContact ND2-OD1 3.14Å; N340-N350 PolarHBondContact OD1-OD1 3.24Å; N340-N350 VanDerWaalsContact OD1-OD1 3.13Å; N350-R352 HydrophobicContact CB-CG 4.33Å; N350-R352 PolarHBondContact ND2-NH2 3.04Å
351	I	96.9	Very high	85.8	Confident	5 Å²	5	63.7 Å²	63.7	3%	0.026	34%	0.338	C	S	.	.			trans	-110.5	94.9	170.9	-65.2	172.2	0	0	0	108.1	L332 N333 V334 T335 M349 V353 L361 H364 T368	L332-I351 HydrophobicContact CD1-CD1 4.23Å; L332-I351 HydrophobicContact CD1-CG1 4.5Å; N333-I351 PolarHBondContact O-N 3.15Å; V334-I351 CarbonylContact C-O 3.6Å; V334-I351 HydrophobicContact CG1-CB 4.23Å; V334-I351 HydrophobicContact CG1-CG2 4.24Å; T335-I351 CarbonylContact C-O 3.48Å; T335-I351 PolarHBondContact N-O 3.24Å; M349-I351 HydrophobicContact CE-CD1 4.11Å; M349-I351 HydrophobicContact CE-CG1 4.21Å; I351-V353 VanDerWaalsContact C-N 3.33Å; I351-V353 HydrophobicContact CG2-CG1 3.9Å; I351-V353 HydrophobicContact CG2-CG2 3.89Å; I351-V353 PolarHBondContact O-N 3Å; I351-L361 HydrophobicContact CG2-CD2 4.15Å; I351-H364 HydrophobicContact CD1-CB 3.7Å; I351-H364 HydrophobicContact CG1-CB 4.42Å; I351-T368 HydrophobicContact CD1-CG2 3.21Å
352	R	95.4	Very high	87.7	Confident	71 Å²	71	63 Å²	63	27%	0.268	34%	0.337	S	S	.	.			trans	-81.5	71.9	-168	-63.6	-52.6	-169	111.3	1.1	113.3	T335 R336 I338 D339 N350	T335-R352 VanDerWaalsContact O-CA 3.3Å; T335-R352 WeakPolarHBondContact O-CA 3.29Å; T335-R352 WeakPolarHBondContact O-CD 3.39Å; R336-R352 WeakPolarHBondContact CD-O 3.39Å; R336-R352 PolarHBondContact NH1-O 3.01Å; I338-R352 PolarHBondContact O-NH1 3.24Å; D339-R352 IonicContact OD1-CZ 2.73Å; D339-R352 IonicContact OD1-NH1 3.71Å; D339-R352 PolarHBondContact OD1-NH1 3.15Å; D339-R352 IonicContact OD1-NH2 2.69Å; D339-R352 PolarHBondContact OD1-NH2 3.41Å; N350-R352 HydrophobicContact CB-CG 4.33Å; N350-R352 PolarHBondContact ND2-NH2 3.04Å
353	V	89.4	Confident	89.1	Confident	22 Å²	22	63.7 Å²	63.7	13%	0.133	35%	0.348	C	S	.	.			trans	-131.1	148.3	-175.1	-55.6	0	0	0	0	115	V334 T335 R336 I351 T359 L361 R392	V334-V353 HydrophobicContact CG1-CG2 4.44Å; T335-V353 CarbonylContact C-O 3.59Å; T335-V353 WeakPolarHBondContact CA-O 3.42Å; R336-V353 PolarHBondContact N-O 2.77Å; I351-V353 VanDerWaalsContact C-N 3.33Å; I351-V353 HydrophobicContact CG2-CG1 3.9Å; I351-V353 HydrophobicContact CG2-CG2 3.89Å; I351-V353 PolarHBondContact O-N 3Å; V353-T359 HydrophobicContact CB-CG2 3.6Å; V353-T359 HydrophobicContact CG1-CG2 4.02Å; V353-T359 HydrophobicContact CG2-CG2 3.72Å; V353-L361 HydrophobicContact CG2-CD2 3.88Å; V353-R392 WeakPolarHBondContact O-CD 3.41Å; V353-R392 PolarHBondContact O-NH1 2.83Å
354	Y	84.6	Confident	90.5	Very high	140 Å²	140	62.7 Å²	62.7	55%	0.549	34%	0.336	S	S	.	.			trans	-84.4	158.8	173.7	-61.6	-64.4	0	0	0	112.8	R336 E337 V356 T359	R336-Y354 HydrophobicContact CB-CD1 3.73Å; R336-Y354 HydrophobicContact CB-CD2 4.42Å; R336-Y354 HydrophobicContact CB-CE1 3.65Å; R336-Y354 HydrophobicContact CB-CE2 4.36Å; R336-Y354 HydrophobicContact CB-CG 4.13Å; R336-Y354 HydrophobicContact CG-CD1 4.18Å; R336-Y354 HydrophobicContact CG-CD2 4.4Å; R336-Y354 HydrophobicContact CG-CE1 3.63Å; R336-Y354 HydrophobicContact CG-CE2 3.88Å; R336-Y354 VanDerWaalsContact CG-CZ 3.47Å; E337-Y354 HydrophobicContact CB-CE1 4.39Å; Y354-V356 PolarHBondContact O-N 2.89Å; Y354-V356 VanDerWaalsContact O-N 3.1Å; Y354-T359 PolarHBondContact O-OG1 2.7Å
355	D	84.3	Confident	92	Very high	55 Å²	55	53.9 Å²	53.9	29%	0.294	30%	0.295	S	S	.	.	S	Bend	trans	-82.6	75.9	177	-134.2	-51.9	0	0	0	111.3	S391 R392 N426 F429	D355-S391 WeakPolarHBondContact OD1-CB 3.27Å; D355-S391 PolarHBondContact OD1-OG 3.23Å; D355-S391 WeakPolarHBondContact OD2-CB 3.36Å; D355-R392 HydrophobicContact CB-CG 4.27Å; D355-R392 VanDerWaalsContact CB-NE 3.31Å; D355-R392 VanDerWaalsContact OD2-CG 3.28Å; D355-R392 WeakPolarHBondContact OD2-CG 3.02Å; D355-R392 IonicContact OD2-CZ 2.76Å; D355-R392 PolarHBondContact OD2-N 2.67Å; D355-R392 IonicContact OD2-NE 2.63Å; D355-R392 PolarHBondContact OD2-NE 2.85Å; D355-R392 IonicContact OD2-NH2 3.89Å; D355-N426 PolarHBondContact OD1-ND2 3.04Å; D355-N426 VanDerWaalsContact OD1-ND2 3.08Å; D355-F429 WeakPolarHBondContact OD1-CE2 3.48Å
356	V	84.9	Confident	93.4	Very high	76 Å²	76	53.3 Å²	53.3	46%	0.461	29%	0.289	S	S	.	.	S	Bend	trans	-135.6	147.9	178	-65.1	0	0	0	0	110.4	Y354 A358 T359	Y354-V356 PolarHBondContact O-N 2.89Å; Y354-V356 VanDerWaalsContact O-N 3.1Å; V356-A358 PolarHBondContact O-N 2.88Å; V356-T359 WeakPolarHBondContact CG2-OG1 3.17Å; V356-T359 WeakPolarHBondContact O-CB 3.27Å; V356-T359 PolarHBondContact O-N 2.78Å
357	E	86.9	Confident	93.7	Very high	104 Å²	104	57.1 Å²	57.1	49%	0.486	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-24.1	-177.2	-67.7	-169.2	-120	0	0	114.3	D427 G428 K431	E357-D427 HydrophobicContact CG-CB 4.49Å; E357-D427 WeakPolarHBondContact OE2-CB 3.35Å; E357-G428 PolarHBondContact OE2-N 3.34Å; E357-K431 IonicContact OE2-NZ 2.83Å; E357-K431 PolarHBondContact OE2-NZ 3.27Å
358	A	89.6	Confident	93.8	Very high	100 Å²	100	53.8 Å²	53.8	83%	0.826	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-4.2	179.1	0	0	0	0	0	114.2	V356	V356-A358 PolarHBondContact O-N 2.88Å
359	T	93	Very high	93.8	Very high	20 Å²	20	53.4 Å²	53.4	12%	0.123	29%	0.288	C	S	.	.			trans	-74.3	133.2	173.3	-79.2	0	0	0	0	109.3	V353 Y354 V356 L361 F429 Q432	V353-T359 HydrophobicContact CB-CG2 3.6Å; V353-T359 HydrophobicContact CG1-CG2 4.02Å; V353-T359 HydrophobicContact CG2-CG2 3.72Å; Y354-T359 PolarHBondContact O-OG1 2.7Å; V356-T359 WeakPolarHBondContact CG2-OG1 3.17Å; V356-T359 WeakPolarHBondContact O-CB 3.27Å; V356-T359 PolarHBondContact O-N 2.78Å; T359-L361 HydrophobicContact CG2-CD2 4.43Å; T359-L361 HydrophobicContact CG2-CG 4.27Å; T359-F429 HydrophobicContact CG2-CE1 3.84Å; T359-F429 HydrophobicContact CG2-CZ 4.04Å; T359-F429 WeakPolarHBondContact O-CE1 3.36Å; T359-Q432 PolarHBondContact O-NE2 3.42Å
360	D	95.1	Very high	93.8	Very high	78 Å²	78	56 Å²	56	42%	0.417	30%	0.303	S	S	.	.			trans	-84.8	120.1	167.5	-179.4	16.2	0	0	0	110.3	L362 S363	D360-L362 WeakPolarHBondContact OD1-CB 3.39Å; D360-L362 PolarHBondContact OD1-N 2.98Å; D360-S363 PolarHBondContact OD1-N 3.1Å; D360-S363 VanDerWaalsContact OD1-N 3.09Å; D360-S363 WeakPolarHBondContact OD2-CB 3.08Å; D360-S363 PolarHBondContact OD2-OG 3.19Å
361	L	96.9	Very high	93.9	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.291	C	S	.	.			trans	-108.5	-21.7	164.6	-72.5	-179.6	0	0	0	111.7	V334 I351 V353 T359 S363 H364 W365 F429	V334-L361 HydrophobicContact CG1-CD2 3.93Å; I351-L361 HydrophobicContact CG2-CD2 4.15Å; V353-L361 HydrophobicContact CG2-CD2 3.88Å; T359-L361 HydrophobicContact CG2-CD2 4.43Å; T359-L361 HydrophobicContact CG2-CG 4.27Å; L361-S363 VanDerWaalsContact C-N 3.3Å; L361-S363 PolarHBondContact O-N 3.33Å; L361-H364 PolarHBondContact O-N 3.08Å; L361-W365 HydrophobicContact CB-CZ2 3.72Å; L361-W365 PolarHBondContact O-N 2.85Å; L361-F429 HydrophobicContact CD1-CD1 3.79Å; L361-F429 HydrophobicContact CD1-CD2 3.87Å; L361-F429 HydrophobicContact CD1-CE1 3.69Å; L361-F429 HydrophobicContact CD1-CE2 3.76Å; L361-F429 HydrophobicContact CD1-CG 3.91Å; L361-F429 HydrophobicContact CD1-CZ 3.68Å; L361-F429 HydrophobicContact CG-CD1 4.14Å; L361-F429 HydrophobicContact CG-CE1 3.81Å; L361-F429 HydrophobicContact CG-CZ 4.1Å
362	L	96.7	Very high	93.9	Very high	41 Å²	41	53.8 Å²	53.8	22%	0.215	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-41.2	-177.2	177.8	62.4	0	0	0	112.3	D360 H364 W365 Q432 T435 Y436 I439	D360-L362 WeakPolarHBondContact OD1-CB 3.39Å; D360-L362 PolarHBondContact OD1-N 2.98Å; L362-H364 VanDerWaalsContact C-N 3.26Å; L362-H364 PolarHBondContact O-N 3.05Å; L362-W365 HydrophobicContact CB-CE3 4.41Å; L362-W365 HydrophobicContact CB-CZ3 4.28Å; L362-W365 HydrophobicContact CD1-CE3 3.74Å; L362-W365 HydrophobicContact CD1-CZ3 3.75Å; L362-Q432 HydrophobicContact CB-CB 4.22Å; L362-Q432 HydrophobicContact CB-CG 4.22Å; L362-Q432 VanDerWaalsContact N-OE1 3.13Å; L362-T435 HydrophobicContact CD2-CG2 3.91Å; L362-Y436 HydrophobicContact CD1-CD2 3.65Å; L362-Y436 HydrophobicContact CD1-CG 4.13Å; L362-I439 HydrophobicContact CD1-CD1 4.36Å
363	S	96.5	Very high	94	Very high	64 Å²	64	52 Å²	52	45%	0.448	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-21.8	177	57.7	0	0	0	0	114.1	D360 L361 P366	D360-S363 PolarHBondContact OD1-N 3.1Å; D360-S363 VanDerWaalsContact OD1-N 3.09Å; D360-S363 WeakPolarHBondContact OD2-CB 3.08Å; D360-S363 PolarHBondContact OD2-OG 3.19Å; L361-S363 VanDerWaalsContact C-N 3.3Å; L361-S363 PolarHBondContact O-N 3.33Å; S363-P366 WeakPolarHBondContact O-CD 2.92Å
364	H	97.7	Very high	94.4	Very high	62 Å²	62	53.8 Å²	53.8	29%	0.287	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-17.9	-178.9	-65.5	-55	0	0	0	114.2	I351 L361 L362 D367 T368	I351-H364 HydrophobicContact CD1-CB 3.7Å; I351-H364 HydrophobicContact CG1-CB 4.42Å; L361-H364 PolarHBondContact O-N 3.08Å; L362-H364 VanDerWaalsContact C-N 3.26Å; L362-H364 PolarHBondContact O-N 3.05Å; H364-D367 PolarHBondContact O-N 2.96Å; H364-D367 VanDerWaalsContact O-N 3.08Å; H364-T368 PolarHBondContact O-N 3.02Å; H364-T368 VanDerWaalsContact O-N 3.08Å
365	W	97.7	Very high	94.9	Very high	1 Å²	1	47.1 Å²	47.1	0%	0.004	27%	0.273	C	S	.	.	H	α-helix	trans	-60.6	-28	-178.5	-66.7	-25.9	0	0	0	116.6	L361 L362 T368 Y369 T396 A399 Q432 L433 Y436	L361-W365 HydrophobicContact CB-CZ2 3.72Å; L361-W365 PolarHBondContact O-N 2.85Å; L362-W365 HydrophobicContact CB-CE3 4.41Å; L362-W365 HydrophobicContact CB-CZ3 4.28Å; L362-W365 HydrophobicContact CD1-CE3 3.74Å; L362-W365 HydrophobicContact CD1-CZ3 3.75Å; W365-T368 WeakPolarHBondContact CA-OG1 3.3Å; W365-T368 PolarHBondContact O-OG1 2.76Å; W365-Y369 VanDerWaalsContact O-CB 3.24Å; W365-Y369 WeakPolarHBondContact O-CB 3.44Å; W365-Y369 PolarHBondContact O-N 3.05Å; W365-Y369 VanDerWaalsContact O-N 3.14Å; W365-T396 PolarHBondContact NE1-OG1 3.34Å; W365-A399 HydrophobicContact CB-CB 4.3Å; W365-A399 HydrophobicContact CD2-CB 3.42Å; W365-A399 VanDerWaalsContact CD2-CB 3.42Å; W365-A399 HydrophobicContact CE3-CB 3.75Å; W365-A399 HydrophobicContact CG-CB 3.65Å; W365-A399 HydrophobicContact CZ2-CB 4.34Å; W365-A399 HydrophobicContact CZ3-CB 4.36Å; W365-Q432 HydrophobicContact CH2-CB 3.72Å; W365-Q432 HydrophobicContact CZ3-CB 4.11Å; W365-L433 HydrophobicContact CH2-CB 4.4Å; W365-L433 HydrophobicContact CH2-CD2 3.6Å; W365-L433 HydrophobicContact CH2-CG 3.67Å; W365-L433 HydrophobicContact CZ2-CD2 4.02Å; W365-L433 HydrophobicContact CZ2-CG 4.26Å; W365-L433 HydrophobicContact CZ3-CD2 3.94Å; W365-L433 HydrophobicContact CZ3-CG 4.29Å; W365-Y436 HydrophobicContact CB-CE2 4.21Å; W365-Y436 HydrophobicContact CE3-CD1 4.06Å; W365-Y436 AromaticContact CE3-CD2 3.94Å; W365-Y436 HydrophobicContact CE3-CD2 3.94Å; W365-Y436 HydrophobicContact CE3-CE2 4.4Å; W365-Y436 AromaticContact CE3-CG 3.73Å; W365-Y436 HydrophobicContact CE3-CG 3.73Å; W365-Y436 HydrophobicContact CZ3-CG 4.13Å
366	P	96.7	Very high	95.5	Very high	57 Å²	57	49.6 Å²	49.6	37%	0.37	28%	0.278	S	S	.	.	H	α-helix	trans	-59.6	-45.9	168.4	-24.5	35.7	0	0	0	112.8	S363 N370	S363-P366 WeakPolarHBondContact O-CD 2.92Å; P366-N370 VanDerWaalsContact O-CG 3.26Å; P366-N370 PolarHBondContact O-N 2.96Å; P366-N370 PolarHBondContact O-ND2 2.8Å
367	D	97.3	Very high	96	Very high	89 Å²	89	54.1 Å²	54.1	48%	0.476	29%	0.292	S	S	.	.	H	α-helix	trans	-73.9	-42.3	-175.3	-61.4	-30.6	0	0	0	111.5	M349 H364 Y369 N370 F371	M349-D367 HydrophobicContact CE-CB 3.62Å; H364-D367 PolarHBondContact O-N 2.96Å; H364-D367 VanDerWaalsContact O-N 3.08Å; D367-Y369 VanDerWaalsContact C-N 3.28Å; D367-Y369 PolarHBondContact O-N 2.9Å; D367-N370 PolarHBondContact O-N 2.83Å; D367-N370 VanDerWaalsContact O-N 3.17Å; D367-F371 PolarHBondContact O-N 2.89Å
368	T	97.9	Very high	96.4	Very high	1 Å²	1	52 Å²	52	1%	0.006	29%	0.288	C	S	.	.	H	α-helix	trans	-64	-36	176.2	58.9	0	0	0	0	112.1	L332 M349 I351 H364 W365 N370 F371 I372 T396	L332-T368 HydrophobicContact CD1-CG2 4.09Å; L332-T368 HydrophobicContact CD2-CG2 3.68Å; M349-T368 HydrophobicContact CE-CG2 3.86Å; M349-T368 HydrophobicContact SD-CG2 4.2Å; I351-T368 HydrophobicContact CD1-CG2 3.21Å; H364-T368 PolarHBondContact O-N 3.02Å; H364-T368 VanDerWaalsContact O-N 3.08Å; W365-T368 WeakPolarHBondContact CA-OG1 3.3Å; W365-T368 PolarHBondContact O-OG1 2.76Å; T368-N370 VanDerWaalsContact C-N 3.33Å; T368-F371 PolarHBondContact O-N 3.41Å; T368-I372 WeakPolarHBondContact O-CB 3.42Å; T368-I372 WeakPolarHBondContact O-CD1 3.45Å; T368-I372 VanDerWaalsContact O-CG1 3.25Å; T368-I372 WeakPolarHBondContact O-CG1 3.43Å; T368-I372 PolarHBondContact O-N 2.95Å; T368-T396 HydrophobicContact CG2-CG2 3.82Å
369	Y	97.9	Very high	96.6	Very high	32 Å²	32	49.9 Å²	49.9	13%	0.125	28%	0.276	C	S	.	.	H	α-helix	trans	-61.2	-45.1	174.5	176.6	-83.9	0	0	0	111	W365 D367 N373 Y400 K403 Q404	W365-Y369 VanDerWaalsContact O-CB 3.24Å; W365-Y369 WeakPolarHBondContact O-CB 3.44Å; W365-Y369 PolarHBondContact O-N 3.05Å; W365-Y369 VanDerWaalsContact O-N 3.14Å; D367-Y369 VanDerWaalsContact C-N 3.28Å; D367-Y369 PolarHBondContact O-N 2.9Å; Y369-N373 VanDerWaalsContact O-CB 3.25Å; Y369-N373 WeakPolarHBondContact O-CB 3.42Å; Y369-N373 PolarHBondContact O-N 2.76Å; Y369-Y400 AromaticContact CD2-CD2 3.45Å; Y369-Y400 HydrophobicContact CD2-CD2 3.45Å; Y369-Y400 VanDerWaalsContact CD2-CD2 3.45Å; Y369-Y400 AromaticContact CD2-CE2 3.63Å; Y369-Y400 HydrophobicContact CD2-CE2 3.63Å; Y369-Y400 HydrophobicContact CE2-CD2 4.01Å; Y369-Y400 AromaticContact CE2-CE2 3.79Å; Y369-Y400 HydrophobicContact CE2-CE2 3.79Å; Y369-Y400 HydrophobicContact CG-CD2 4.16Å; Y369-Y400 HydrophobicContact CG-CE2 4.3Å; Y369-K403 HydrophobicContact CD1-CD 4.2Å; Y369-K403 HydrophobicContact CD2-CB 3.95Å; Y369-K403 HydrophobicContact CD2-CD 3.49Å; Y369-K403 VanDerWaalsContact CD2-CD 3.49Å; Y369-K403 HydrophobicContact CD2-CG 3.79Å; Y369-K403 HydrophobicContact CE1-CD 4.36Å; Y369-K403 HydrophobicContact CE2-CB 3.89Å; Y369-K403 HydrophobicContact CE2-CD 3.68Å; Y369-K403 HydrophobicContact CE2-CG 3.53Å; Y369-K403 HydrophobicContact CG-CD 3.78Å; Y369-Q404 HydrophobicContact CE2-CB 4.08Å
370	N	97.8	Very high	96.8	Very high	89 Å²	89	52.2 Å²	52.2	48%	0.476	29%	0.286	S	S	.	.	H	α-helix	trans	-63.9	-44.7	178	-64.7	-19.1	0	0	0	111	P366 D367 T368 N373 S374	P366-N370 VanDerWaalsContact O-CG 3.26Å; P366-N370 PolarHBondContact O-N 2.96Å; P366-N370 PolarHBondContact O-ND2 2.8Å; D367-N370 PolarHBondContact O-N 2.83Å; D367-N370 VanDerWaalsContact O-N 3.17Å; T368-N370 VanDerWaalsContact C-N 3.33Å; N370-N373 PolarHBondContact O-N 2.62Å; N370-S374 PolarHBondContact O-N 3.03Å; N370-S374 PolarHBondContact O-OG 3.41Å
371	F	98.3	Very high	96.9	Very high	27 Å²	27	48.6 Å²	48.6	12%	0.118	27%	0.267	C	S	.	.	H	α-helix	trans	-60.2	-48.8	177.6	-178.1	-98.3	0	0	0	113.1	Y330 L332 T347 M349 D367 T368 N373 S374 A375 V382	Y330-F371 HydrophobicContact CD1-CD2 4.42Å; Y330-F371 HydrophobicContact CD1-CE1 4.32Å; Y330-F371 AromaticContact CD1-CE2 3.81Å; Y330-F371 HydrophobicContact CD1-CE2 3.81Å; Y330-F371 AromaticContact CD1-CZ 3.76Å; Y330-F371 HydrophobicContact CD1-CZ 3.76Å; Y330-F371 HydrophobicContact CE1-CE2 4.49Å; Y330-F371 HydrophobicContact CG-CZ 4.41Å; L332-F371 HydrophobicContact CB-CD1 4.16Å; L332-F371 HydrophobicContact CB-CE1 3.9Å; T347-F371 HydrophobicContact CG2-CE2 4.14Å; T347-F371 WeakPolarHBondContact O-CZ 3.1Å; M349-F371 HydrophobicContact CB-CD1 3.97Å; M349-F371 HydrophobicContact CB-CD2 3.59Å; M349-F371 HydrophobicContact CB-CE1 3.87Å; M349-F371 HydrophobicContact CB-CE2 3.46Å; M349-F371 VanDerWaalsContact CB-CE2 3.46Å; M349-F371 HydrophobicContact CB-CG 3.82Å; M349-F371 HydrophobicContact CB-CZ 3.6Å; M349-F371 HydrophobicContact CG-CD2 4.41Å; M349-F371 HydrophobicContact CG-CG 4.43Å; M349-F371 HydrophobicContact SD-CB 3.62Å; M349-F371 HydrophobicContact SD-CD1 4.3Å; M349-F371 HydrophobicContact SD-CD2 4.2Å; M349-F371 HydrophobicContact SD-CG 3.8Å; D367-F371 PolarHBondContact O-N 2.89Å; T368-F371 PolarHBondContact O-N 3.41Å; F371-N373 VanDerWaalsContact C-N 3.3Å; F371-N373 PolarHBondContact O-N 2.69Å; F371-S374 PolarHBondContact O-N 3.02Å; F371-A375 PolarHBondContact O-N 3.38Å; F371-V382 HydrophobicContact CD1-CG2 4.41Å; F371-V382 HydrophobicContact CE1-CG2 4Å
372	I	98.1	Very high	97	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-61.9	-39.7	176.7	-68.1	165.3	0	0	0	110.8	Y308 L309 L332 T368 A375 R376 V382 V384 Y400	Y308-I372 HydrophobicContact CE2-CG2 4.37Å; L309-I372 HydrophobicContact CD1-CD1 4.37Å; L309-I372 HydrophobicContact CD1-CG2 4.19Å; L332-I372 HydrophobicContact CD2-CD1 4.21Å; L332-I372 HydrophobicContact CD2-CG1 4.41Å; T368-I372 WeakPolarHBondContact O-CB 3.42Å; T368-I372 WeakPolarHBondContact O-CD1 3.45Å; T368-I372 VanDerWaalsContact O-CG1 3.25Å; T368-I372 WeakPolarHBondContact O-CG1 3.43Å; T368-I372 PolarHBondContact O-N 2.95Å; I372-A375 PolarHBondContact O-N 2.92Å; I372-R376 PolarHBondContact O-N 3.48Å; I372-R376 VanDerWaalsContact O-N 3.09Å; I372-V382 HydrophobicContact CB-CG1 4.26Å; I372-V382 HydrophobicContact CG1-CG1 4.15Å; I372-V382 HydrophobicContact CG1-CG2 4.46Å; I372-V382 HydrophobicContact CG2-CG1 3.89Å; I372-V384 HydrophobicContact CD1-CG2 3.96Å; I372-V384 HydrophobicContact CG1-CG2 4.26Å; I372-Y400 HydrophobicContact CB-CD2 4.02Å; I372-Y400 HydrophobicContact CB-CE2 3.91Å; I372-Y400 HydrophobicContact CD1-CD2 4.02Å; I372-Y400 HydrophobicContact CD1-CG 4Å; I372-Y400 HydrophobicContact CG2-CD1 4.07Å; I372-Y400 HydrophobicContact CG2-CD2 3.79Å; I372-Y400 HydrophobicContact CG2-CE1 3.73Å; I372-Y400 HydrophobicContact CG2-CE2 3.46Å; I372-Y400 VanDerWaalsContact CG2-CE2 3.46Å; I372-Y400 HydrophobicContact CG2-CG 4.1Å; I372-Y400 VanDerWaalsContact CG2-CZ 3.42Å
373	N	96.6	Very high	97.1	Very high	33 Å²	33	46.8 Å²	46.8	18%	0.176	26%	0.257	C	S	.	.	H	α-helix	trans	-73.4	-26.9	179.7	-158.1	34.7	0	0	0	112.8	Y369 N370 F371 K377	Y369-N373 VanDerWaalsContact O-CB 3.25Å; Y369-N373 WeakPolarHBondContact O-CB 3.42Å; Y369-N373 PolarHBondContact O-N 2.76Å; N370-N373 PolarHBondContact O-N 2.62Å; F371-N373 VanDerWaalsContact C-N 3.3Å; F371-N373 PolarHBondContact O-N 2.69Å; N373-K377 WeakPolarHBondContact O-CB 3.3Å; N373-K377 WeakPolarHBondContact O-CG 3.43Å; N373-K377 PolarHBondContact O-N 3.09Å
374	S	97.1	Very high	97.2	Very high	61 Å²	61	43.7 Å²	43.7	43%	0.427	24%	0.236	S	C	.	.	H	α-helix	trans	-65.9	-44.4	170.3	-67.8	0	0	0	0	111.9	N370 F371 K377 S378	N370-S374 PolarHBondContact O-N 3.03Å; N370-S374 PolarHBondContact O-OG 3.41Å; F371-S374 PolarHBondContact O-N 3.02Å; S374-K377 PolarHBondContact O-N 3.37Å; S374-K377 VanDerWaalsContact O-N 3.17Å; S374-S378 PolarHBondContact O-N 2.83Å
375	A	95.9	Very high	97.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-58.9	-49.1	173.9	0	0	0	0	0	111.6	Y330 F371 I372 K377 S378 G379 Q380 V382	Y330-A375 HydrophobicContact CD1-CB 4.11Å; Y330-A375 HydrophobicContact CD2-CB 3.37Å; Y330-A375 HydrophobicContact CE2-CB 3.94Å; Y330-A375 HydrophobicContact CG-CB 3.5Å; Y330-A375 VanDerWaalsContact CG-CB 3.5Å; F371-A375 PolarHBondContact O-N 3.38Å; I372-A375 PolarHBondContact O-N 2.92Å; A375-K377 PolarHBondContact O-N 2.77Å; A375-S378 PolarHBondContact O-N 2.78Å; A375-S378 VanDerWaalsContact O-N 3.09Å; A375-S378 PolarHBondContact O-OG 2.7Å; A375-S378 VanDerWaalsContact O-OG 3.07Å; A375-G379 PolarHBondContact O-N 3.39Å; A375-Q380 CarbonylContact C-O 3.52Å; A375-Q380 VanDerWaalsContact C-O 3.26Å; A375-Q380 PolarHBondContact O-N 3.38Å; A375-V382 HydrophobicContact CB-CB 3.85Å; A375-V382 HydrophobicContact CB-CG1 4.07Å
376	R	95.9	Very high	96.8	Very high	106 Å²	106	40.8 Å²	40.8	40%	0.4	22%	0.223	S	C	.	.	H	α-helix	trans	-52	-43.3	173.4	-177.5	-172.1	176.3	-169.4	-3.1	112.2	Y308 I372 G379	Y308-R376 HydrophobicContact CD1-CB 4.43Å; Y308-R376 HydrophobicContact CD1-CG 3.8Å; Y308-R376 HydrophobicContact CD2-CB 3.66Å; Y308-R376 HydrophobicContact CD2-CG 3.88Å; Y308-R376 HydrophobicContact CE1-CG 3.9Å; Y308-R376 HydrophobicContact CE2-CB 3.97Å; Y308-R376 HydrophobicContact CE2-CG 3.97Å; Y308-R376 HydrophobicContact CG-CB 3.92Å; Y308-R376 HydrophobicContact CG-CG 3.8Å; I372-R376 PolarHBondContact O-N 3.48Å; I372-R376 VanDerWaalsContact O-N 3.09Å; R376-G379 PolarHBondContact O-N 3.01Å
377	K	95.8	Very high	95.9	Very high	172 Å²	172	40 Å²	40	75%	0.748	21%	0.213	S	C	*	.	H	α-helix	trans	-72.1	-28	180	-78.8	-176.9	173.6	-162.3	0	113.9	N373 S374 A375 G379	N373-K377 WeakPolarHBondContact O-CB 3.3Å; N373-K377 WeakPolarHBondContact O-CG 3.43Å; N373-K377 PolarHBondContact O-N 3.09Å; S374-K377 PolarHBondContact O-N 3.37Å; S374-K377 VanDerWaalsContact O-N 3.17Å; A375-K377 PolarHBondContact O-N 2.77Å; K377-G379 VanDerWaalsContact C-N 3.26Å; K377-G379 PolarHBondContact O-N 3.25Å
378	S	94.9	Very high	94.9	Very high	58 Å²	58	38.7 Å²	38.7	41%	0.406	21%	0.205	S	C	.	.	H	α-helix	trans	-80.8	-3	173.7	75	0	0	0	0	113.8	Y330 S374 A375 Q380	Y330-S378 WeakPolarHBondContact CE2-OG 3.35Å; S374-S378 PolarHBondContact O-N 2.83Å; A375-S378 PolarHBondContact O-N 2.78Å; A375-S378 VanDerWaalsContact O-N 3.09Å; A375-S378 PolarHBondContact O-OG 2.7Å; A375-S378 VanDerWaalsContact O-OG 3.07Å; S378-Q380 VanDerWaalsContact C-N 3.26Å; S378-Q380 PolarHBondContact O-N 2.93Å; S378-Q380 PolarHBondContact OG-OE1 2.82Å; S378-Q380 VanDerWaalsContact OG-OE1 3.08Å
379	G	94.7	Very high	94.4	Very high	56 Å²	56	38.7 Å²	38.7	58%	0.577	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.5	13	-175.6	0	0	0	0	0	113.9	N327 A375 R376 K377	N327-G379 PolarHBondContact ND2-O 2.67Å; N327-G379 VanDerWaalsContact ND2-O 3.16Å; A375-G379 PolarHBondContact O-N 3.39Å; R376-G379 PolarHBondContact O-N 3.01Å; K377-G379 VanDerWaalsContact C-N 3.26Å; K377-G379 PolarHBondContact O-N 3.25Å
380	Q	97	Very high	93.6	Very high	69 Å²	69	39 Å²	39	32%	0.322	21%	0.21	S	C	.	.			trans	-104.6	152.4	177.6	-63.5	176.6	-71.4	0	0	110.8	Y330 A375 S378	Y330-Q380 HydrophobicContact CD2-CB 4.31Å; Y330-Q380 HydrophobicContact CE2-CB 4.42Å; A375-Q380 CarbonylContact C-O 3.52Å; A375-Q380 VanDerWaalsContact C-O 3.26Å; A375-Q380 PolarHBondContact O-N 3.38Å; S378-Q380 VanDerWaalsContact C-N 3.26Å; S378-Q380 PolarHBondContact O-N 2.93Å; S378-Q380 PolarHBondContact OG-OE1 2.82Å; S378-Q380 VanDerWaalsContact OG-OE1 3.08Å
381	A	97.8	Very high	93.2	Very high	3 Å²	3	35.1 Å²	35.1	3%	0.025	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	157.6	172.5	0	0	0	0	0	111.9	Y308 Y310 N327 V328 G329 Y330	Y308-A381 CarbonylContact O-C 3.54Å; Y308-A381 VanDerWaalsContact O-CA 3.31Å; Y308-A381 WeakPolarHBondContact O-CA 3.3Å; Y310-A381 HydrophobicContact CD2-CB 3.93Å; Y310-A381 HydrophobicContact CE2-CB 3.64Å; N327-A381 PolarHBondContact O-N 3.18Å; V328-A381 WeakPolarHBondContact CA-O 3.48Å; V328-A381 HydrophobicContact CG2-CB 4.15Å; G329-A381 PolarHBondContact N-O 2.78Å; Y330-A381 PolarHBondContact N-O 2.9Å
382	V	98.4	Very high	93.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	133	170	52.7	0	0	0	0	110.8	Y308 L309 Y310 Y330 F371 I372 A375 V384	Y308-V382 WeakPolarHBondContact O-CG1 3.47Å; Y308-V382 PolarHBondContact O-N 3.45Å; L309-V382 HydrophobicContact CD1-CG1 3.81Å; Y310-V382 PolarHBondContact N-O 3.17Å; Y330-V382 VanDerWaalsContact O-CA 3.23Å; Y330-V382 WeakPolarHBondContact O-CA 2.81Å; F371-V382 HydrophobicContact CD1-CG2 4.41Å; F371-V382 HydrophobicContact CE1-CG2 4Å; I372-V382 HydrophobicContact CB-CG1 4.26Å; I372-V382 HydrophobicContact CG1-CG1 4.15Å; I372-V382 HydrophobicContact CG1-CG2 4.46Å; I372-V382 HydrophobicContact CG2-CG1 3.89Å; A375-V382 HydrophobicContact CB-CB 3.85Å; A375-V382 HydrophobicContact CB-CG1 4.07Å; V382-V384 HydrophobicContact CG2-CG2 4.32Å
383	L	98.3	Very high	93.1	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.01	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	125.7	165.6	176.4	64.9	0	0	0	109.5	P302 N316 A317 L323 V328 Y330 I331 L332 H385	P302-L383 HydrophobicContact CB-CD1 4.17Å; N316-L383 HydrophobicContact CB-CD2 4.1Å; N316-L383 WeakPolarHBondContact O-CD2 3.08Å; A317-L383 HydrophobicContact CB-CD2 3.96Å; L323-L383 HydrophobicContact CD2-CB 4.23Å; L323-L383 HydrophobicContact CD2-CD2 3.76Å; V328-L383 HydrophobicContact CG1-CB 4.24Å; Y330-L383 PolarHBondContact O-N 2.77Å; I331-L383 CarbonylContact C-O 3.53Å; I331-L383 WeakPolarHBondContact CA-O 3.41Å; I331-L383 HydrophobicContact CG1-CB 4.46Å; L332-L383 PolarHBondContact N-O 2.9Å; L383-H385 HydrophobicContact CD2-CB 4.44Å; L383-H385 HydrophobicContact CG-CB 4.33Å
384	V	98.5	Very high	93.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	117.6	169.1	-173.1	0	0	0	0	108.4	L309 Y310 L311 G312 L332 V334 I372 V382 T396 V397	L309-V384 HydrophobicContact CD1-CG2 3.54Å; Y310-V384 PolarHBondContact O-N 3.43Å; L311-V384 WeakPolarHBondContact CA-O 3.38Å; G312-V384 PolarHBondContact N-O 2.81Å; G312-V384 VanDerWaalsContact N-O 3.1Å; L332-V384 HydrophobicContact CB-CB 4.44Å; L332-V384 HydrophobicContact CB-CG1 4.27Å; L332-V384 HydrophobicContact CB-CG2 4.12Å; L332-V384 HydrophobicContact CD2-CG1 3.87Å; L332-V384 HydrophobicContact CD2-CG2 4.04Å; L332-V384 HydrophobicContact CG-CG1 4.03Å; V334-V384 HydrophobicContact CG2-CG1 4.11Å; I372-V384 HydrophobicContact CD1-CG2 3.96Å; I372-V384 HydrophobicContact CG1-CG2 4.26Å; V382-V384 HydrophobicContact CG2-CG2 4.32Å; V384-T396 HydrophobicContact CG1-CG2 4.45Å; V384-V397 HydrophobicContact CB-CG2 3.77Å; V384-V397 HydrophobicContact CG1-CG2 3.96Å; V384-V397 HydrophobicContact CG2-CG2 4.03Å
385	H	95.9	Very high	93.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	155.5	-174.3	81.8	105	0	0	0	113.9	G312 S313 A317 L332 N333 V334 L383	G312-H385 WeakPolarHBondContact O-CA 3.35Å; S313-H385 WeakPolarHBondContact O-CB 3.3Å; A317-H385 HydrophobicContact CB-CB 4.43Å; L332-H385 PolarHBondContact O-CD2 2.86Å; L332-H385 PolarHBondContact O-N 3.32Å; N333-H385 WeakPolarHBondContact CA-NE2 3.5Å; N333-H385 VanDerWaalsContact CB-NE2 3.34Å; N333-H385 WeakPolarHBondContact CB-NE2 3.44Å; V334-H385 PolarHBondContact N-O 3.15Å; L383-H385 HydrophobicContact CD2-CB 4.44Å; L383-H385 HydrophobicContact CG-CB 4.33Å
386	C	92.4	Very high	93.3	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.014	16%	0.158	C	C	.	.			trans	-136.4	-166.8	161.4	76.1	0	0	0	0	107.9	S313 E314 T335 G389 R392 S393	S313-C386 CarbonylContact C-O 3.56Å; S313-C386 VanDerWaalsContact C-O 3.25Å; E314-C386 PolarHBondContact N-O 2.75Å; T335-C386 VanDerWaalsContact CG2-CA 3.4Å; T335-C386 HydrophobicContact CG2-CB 3.84Å; C386-G389 PolarHBondContact SG-N 2.73Å; C386-R392 HydrophobicContact CB-CB 3.74Å; C386-S393 PolarHBondContact N-OG 2.94Å; C386-S393 PolarHBondContact SG-OG 3.28Å; C386-S393 VanDerWaalsContact SG-OG 3.34Å
387	K	77.9	Confident	93.4	Very high	40 Å²	40	24.8 Å²	24.8	17%	0.174	14%	0.138	C	C	.	.	S	Bend	trans	-50.7	-65.3	178.6	-162.6	-168	177.1	-164.1	0	112.7	D262 S313 E314 I338	D262-K387 IonicContact OD1-NZ 3.94Å; D262-K387 IonicContact OD2-NZ 3.42Å; D262-K387 PolarHBondContact OD2-NZ 3.45Å; S313-K387 CarbonylContact C-O 3.54Å; S313-K387 WeakPolarHBondContact CA-O 2.94Å; S313-K387 WeakPolarHBondContact CB-O 3.4Å; E314-K387 VanDerWaalsContact CD-CG 3.48Å; E314-K387 PolarHBondContact N-O 2.92Å; E314-K387 VanDerWaalsContact OE1-CE 3.23Å; E314-K387 WeakPolarHBondContact OE1-CE 3.45Å; E314-K387 WeakPolarHBondContact OE1-CG 3.27Å; E314-K387 WeakPolarHBondContact OE2-CG 3.39Å; I338-K387 HydrophobicContact CD1-CB 4.14Å; I338-K387 HydrophobicContact CD1-CG 4.32Å
388	M	75.3	Confident	93.6	Very high	62 Å²	62	16.6 Å²	16.6	31%	0.305	10%	0.103	S	C	.	.	S	Bend	trans	-98.4	-8.1	-174.2	-52.1	-52	-67.2	0	0	114.7	L261 V390	L261-M388 HydrophobicContact CD1-CE 4.4Å; M388-V390 VanDerWaalsContact C-N 3.3Å; M388-V390 HydrophobicContact CB-CB 4.26Å; M388-V390 HydrophobicContact CB-CG2 3.83Å; M388-V390 PolarHBondContact O-N 2.69Å
389	G	87.4	Confident	93.7	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.084	C	C	.	.	S	Bend	trans	66	28.6	-171.8	0	0	0	0	0	114.5	G312 C386 R420	G312-G389 WeakPolarHBondContact O-CA 3.17Å; C386-G389 PolarHBondContact SG-N 2.73Å; G389-R420 WeakPolarHBondContact O-CD 3.44Å; G389-R420 PolarHBondContact O-NE 2.97Å
390	V	82.4	Confident	93.9	Very high	39 Å²	39	11.3 Å²	11.3	24%	0.236	6%	0.057	C	C	.	.	S	Bend	trans	-108.3	-46.8	-172.2	167	0	0	0	0	113.4	M388 A394 I422 K424	M388-V390 VanDerWaalsContact C-N 3.3Å; M388-V390 HydrophobicContact CB-CB 4.26Å; M388-V390 HydrophobicContact CB-CG2 3.83Å; M388-V390 PolarHBondContact O-N 2.69Å; V390-A394 WeakPolarHBondContact O-CB 3.46Å; V390-I422 HydrophobicContact CG2-CB 4.41Å; V390-I422 HydrophobicContact CG2-CD1 3.83Å; V390-I422 HydrophobicContact CG2-CG1 4.07Å; V390-K424 HydrophobicContact CG1-CB 4.06Å; V390-K424 CarbonylContact O-C 3.59Å; V390-K424 PolarHBondContact O-N 3.14Å
391	S	89.5	Confident	93.9	Very high	8 Å²	8	8 Å²	8	6%	0.056	4%	0.042	C	C	.	.	S	Bend	trans	-119.3	-79.1	-168.6	171.4	0	0	0	0	113	D355 S393 A394 S395 N426 F429	D355-S391 WeakPolarHBondContact OD1-CB 3.27Å; D355-S391 PolarHBondContact OD1-OG 3.23Å; D355-S391 WeakPolarHBondContact OD2-CB 3.36Å; S391-S393 PolarHBondContact O-N 3.32Å; S391-A394 PolarHBondContact O-N 2.84Å; S391-S395 WeakPolarHBondContact O-CB 3.46Å; S391-S395 PolarHBondContact O-N 3.1Å; S391-S395 PolarHBondContact O-OG 3.39Å; S391-N426 PolarHBondContact OG-N 2.62Å; S391-F429 WeakPolarHBondContact OG-CD2 3.41Å; S391-F429 WeakPolarHBondContact OG-CE2 3.35Å
392	R	96.8	Very high	94	Very high	9 Å²	9	8 Å²	8	3%	0.034	4%	0.041	C	C	.	.	H	α-helix	trans	-48.3	-60.4	-177.9	-85.1	168.1	-64.5	172	2.1	114.9	V334 E337 V353 D355 C386 S395 T396 F429	V334-R392 HydrophobicContact CB-CB 4.33Å; V334-R392 HydrophobicContact CG1-CB 3.92Å; V334-R392 HydrophobicContact CG1-CG 4.45Å; V334-R392 VanDerWaalsContact O-CD 3.29Å; V334-R392 WeakPolarHBondContact O-CD 3.22Å; E337-R392 IonicContact OE1-CZ 3.7Å; E337-R392 IonicContact OE1-NH1 3.36Å; E337-R392 PolarHBondContact OE1-NH1 3.29Å; E337-R392 IonicContact OE1-NH2 3.79Å; E337-R392 PolarHBondContact OE1-NH2 3.31Å; E337-R392 IonicContact OE2-CZ 3.52Å; E337-R392 IonicContact OE2-NH1 3.77Å; E337-R392 PolarHBondContact OE2-NH1 3.07Å; V353-R392 WeakPolarHBondContact O-CD 3.41Å; V353-R392 PolarHBondContact O-NH1 2.83Å; D355-R392 HydrophobicContact CB-CG 4.27Å; D355-R392 VanDerWaalsContact CB-NE 3.31Å; D355-R392 VanDerWaalsContact OD2-CG 3.28Å; D355-R392 WeakPolarHBondContact OD2-CG 3.02Å; D355-R392 IonicContact OD2-CZ 2.76Å; D355-R392 PolarHBondContact OD2-N 2.67Å; D355-R392 IonicContact OD2-NE 2.63Å; D355-R392 PolarHBondContact OD2-NE 2.85Å; D355-R392 IonicContact OD2-NH2 3.89Å; C386-R392 HydrophobicContact CB-CB 3.74Å; R392-S395 PolarHBondContact O-N 3.27Å; R392-T396 PolarHBondContact O-N 2.74Å; R392-T396 PolarHBondContact O-OG1 2.92Å; R392-F429 HydrophobicContact CB-CE2 4.36Å; R392-F429 HydrophobicContact CG-CE2 3.59Å; R392-F429 HydrophobicContact CG-CZ 3.83Å
393	S	97.4	Very high	93.9	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-65.7	-40.4	-178.2	49.5	0	0	0	0	112.7	L311 C386 S391 S395 T396 V397	L311-S393 WeakPolarHBondContact CD1-OG 3.32Å; C386-S393 PolarHBondContact N-OG 2.94Å; C386-S393 PolarHBondContact SG-OG 3.28Å; C386-S393 VanDerWaalsContact SG-OG 3.34Å; S391-S393 PolarHBondContact O-N 3.32Å; S393-S395 VanDerWaalsContact C-N 3.32Å; S393-S395 PolarHBondContact O-N 2.95Å; S393-T396 PolarHBondContact O-N 3.48Å; S393-V397 WeakPolarHBondContact O-CG2 3.48Å; S393-V397 PolarHBondContact O-N 3.18Å
394	A	96.7	Very high	93.7	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-61.4	-41	177.6	0	0	0	0	0	111.7	L311 V390 S391 T396 V397 I398 V423	L311-A394 HydrophobicContact CD1-CB 4.32Å; L311-A394 HydrophobicContact CD2-CB 4Å; V390-A394 WeakPolarHBondContact O-CB 3.46Å; S391-A394 PolarHBondContact O-N 2.84Å; A394-T396 PolarHBondContact O-N 3.49Å; A394-V397 PolarHBondContact O-N 3.38Å; A394-I398 WeakPolarHBondContact O-CD1 3.27Å; A394-I398 WeakPolarHBondContact O-CG1 3.47Å; A394-I398 PolarHBondContact O-N 2.82Å; A394-V423 HydrophobicContact CB-CB 4.31Å; A394-V423 HydrophobicContact CB-CG1 3.72Å; A394-V423 HydrophobicContact CB-CG2 3.75Å
395	S	98.3	Very high	93.6	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-59	-46.3	176	-53.5	0	0	0	0	111.5	S391 R392 S393 V397 I398 A399 P425 F429	S391-S395 WeakPolarHBondContact O-CB 3.46Å; S391-S395 PolarHBondContact O-N 3.1Å; S391-S395 PolarHBondContact O-OG 3.39Å; R392-S395 PolarHBondContact O-N 3.27Å; S393-S395 VanDerWaalsContact C-N 3.32Å; S393-S395 PolarHBondContact O-N 2.95Å; S395-V397 PolarHBondContact O-N 2.71Å; S395-I398 PolarHBondContact O-N 2.78Å; S395-A399 WeakPolarHBondContact O-CB 3.35Å; S395-A399 PolarHBondContact O-N 2.85Å; S395-P425 WeakPolarHBondContact OG-CB 3.49Å; S395-F429 WeakPolarHBondContact OG-CB 3.45Å; S395-F429 WeakPolarHBondContact OG-CD2 3.43Å
396	T	98.5	Very high	93.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-64.6	-37.1	176	-61.9	0	0	0	0	112.9	L332 W365 T368 V384 R392 S393 A394 Y400	L332-T396 HydrophobicContact CD2-CG2 3.94Å; W365-T396 PolarHBondContact NE1-OG1 3.34Å; T368-T396 HydrophobicContact CG2-CG2 3.82Å; V384-T396 HydrophobicContact CG1-CG2 4.45Å; R392-T396 PolarHBondContact O-N 2.74Å; R392-T396 PolarHBondContact O-OG1 2.92Å; S393-T396 PolarHBondContact O-N 3.48Å; A394-T396 PolarHBondContact O-N 3.49Å; T396-Y400 WeakPolarHBondContact O-CB 3.45Å; T396-Y400 PolarHBondContact O-N 2.92Å
397	V	98.4	Very high	93.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-68.2	-39.1	174.3	165.2	0	0	0	0	112.2	I305 L309 L311 V384 S393 A394 S395 Y400 A401 V416	I305-V397 HydrophobicContact CB-CG1 4.42Å; I305-V397 HydrophobicContact CG1-CG1 4.03Å; I305-V397 HydrophobicContact CG2-CG1 3.97Å; L309-V397 HydrophobicContact CD1-CG2 4.44Å; L309-V397 HydrophobicContact CD2-CG1 4.18Å; L309-V397 HydrophobicContact CD2-CG2 4.45Å; L311-V397 HydrophobicContact CB-CG2 4.34Å; L311-V397 HydrophobicContact CD1-CG2 4.06Å; L311-V397 HydrophobicContact CD2-CG1 4.38Å; V384-V397 HydrophobicContact CB-CG2 3.77Å; V384-V397 HydrophobicContact CG1-CG2 3.96Å; V384-V397 HydrophobicContact CG2-CG2 4.03Å; S393-V397 WeakPolarHBondContact O-CG2 3.48Å; S393-V397 PolarHBondContact O-N 3.18Å; A394-V397 PolarHBondContact O-N 3.38Å; S395-V397 PolarHBondContact O-N 2.71Å; V397-Y400 PolarHBondContact O-N 3.17Å; V397-A401 WeakPolarHBondContact O-CB 3.46Å; V397-A401 PolarHBondContact O-N 2.97Å; V397-V416 HydrophobicContact CG1-CG1 4.26Å; V397-V416 HydrophobicContact CG1-CG2 3.96Å
398	I	98.5	Very high	94.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-65.3	-46.5	175.1	-65.6	155	0	0	0	110	A394 S395 Y400 A401 M402 L409 A412 L413 V416 V423 P425 L433	A394-I398 WeakPolarHBondContact O-CD1 3.27Å; A394-I398 WeakPolarHBondContact O-CG1 3.47Å; A394-I398 PolarHBondContact O-N 2.82Å; S395-I398 PolarHBondContact O-N 2.78Å; I398-Y400 VanDerWaalsContact C-N 3.3Å; I398-Y400 PolarHBondContact O-N 3.38Å; I398-A401 PolarHBondContact O-N 2.86Å; I398-A401 VanDerWaalsContact O-N 3.15Å; I398-M402 HydrophobicContact CG2-CG 4.42Å; I398-M402 HydrophobicContact CG2-SD 3.98Å; I398-M402 VanDerWaalsContact O-CG 3.29Å; I398-M402 WeakPolarHBondContact O-CG 3.25Å; I398-M402 PolarHBondContact O-N 3.26Å; I398-L409 HydrophobicContact CG2-CD1 3.91Å; I398-A412 HydrophobicContact CG2-CB 4.11Å; I398-L413 HydrophobicContact CD1-CD1 3.58Å; I398-L413 HydrophobicContact CG1-CD1 4.49Å; I398-V416 HydrophobicContact CG1-CB 4.07Å; I398-V416 HydrophobicContact CG1-CG1 4.15Å; I398-V416 HydrophobicContact CG1-CG2 4.01Å; I398-V423 HydrophobicContact CD1-CG1 4.07Å; I398-P425 HydrophobicContact CD1-CG 3.84Å; I398-L433 HydrophobicContact CB-CD1 4.36Å; I398-L433 HydrophobicContact CB-CD2 4.32Å; I398-L433 HydrophobicContact CD1-CD1 4.39Å; I398-L433 HydrophobicContact CG2-CD1 4.11Å; I398-L433 HydrophobicContact CG2-CD2 4.06Å
399	A	98.3	Very high	95.6	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.008	11%	0.113	C	C	.	.	H	α-helix	trans	-59.1	-40.5	175	0	0	0	0	0	112.2	W365 S395 K403 L433 Y436	W365-A399 HydrophobicContact CB-CB 4.3Å; W365-A399 HydrophobicContact CD2-CB 3.42Å; W365-A399 VanDerWaalsContact CD2-CB 3.42Å; W365-A399 HydrophobicContact CE3-CB 3.75Å; W365-A399 HydrophobicContact CG-CB 3.65Å; W365-A399 HydrophobicContact CZ2-CB 4.34Å; W365-A399 HydrophobicContact CZ3-CB 4.36Å; S395-A399 WeakPolarHBondContact O-CB 3.35Å; S395-A399 PolarHBondContact O-N 2.85Å; A399-K403 PolarHBondContact O-N 3.15Å; A399-L433 HydrophobicContact CB-CD2 3.85Å; A399-Y436 HydrophobicContact CB-CD1 4.12Å; A399-Y436 HydrophobicContact CB-CE1 4.02Å
400	Y	98.4	Very high	96	Very high	3 Å²	3	29.2 Å²	29.2	1%	0.012	15%	0.145	C	C	.	.	H	α-helix	trans	-61.1	-48.7	172.4	178.6	-99.9	0	0	0	111.9	F306 Y308 L309 Y369 I372 T396 V397 I398 M402 K403 Q404	F306-Y400 HydrophobicContact CD2-CD1 4.4Å; F306-Y400 HydrophobicContact CD2-CE1 4.06Å; F306-Y400 HydrophobicContact CE2-CD1 4.04Å; F306-Y400 AromaticContact CE2-CE1 4Å; F306-Y400 HydrophobicContact CE2-CE1 4Å; Y308-Y400 HydrophobicContact CE2-CE1 4.01Å; Y308-Y400 WeakPolarHBondContact CE2-OH 3.08Å; Y308-Y400 PolarHBondContact OH-OH 3.11Å; L309-Y400 HydrophobicContact CD2-CD1 3.62Å; L309-Y400 HydrophobicContact CD2-CE1 4.02Å; Y369-Y400 AromaticContact CD2-CD2 3.45Å; Y369-Y400 HydrophobicContact CD2-CD2 3.45Å; Y369-Y400 VanDerWaalsContact CD2-CD2 3.45Å; Y369-Y400 AromaticContact CD2-CE2 3.63Å; Y369-Y400 HydrophobicContact CD2-CE2 3.63Å; Y369-Y400 HydrophobicContact CE2-CD2 4.01Å; Y369-Y400 AromaticContact CE2-CE2 3.79Å; Y369-Y400 HydrophobicContact CE2-CE2 3.79Å; Y369-Y400 HydrophobicContact CG-CD2 4.16Å; Y369-Y400 HydrophobicContact CG-CE2 4.3Å; I372-Y400 HydrophobicContact CB-CD2 4.02Å; I372-Y400 HydrophobicContact CB-CE2 3.91Å; I372-Y400 HydrophobicContact CD1-CD2 4.02Å; I372-Y400 HydrophobicContact CD1-CG 4Å; I372-Y400 HydrophobicContact CG2-CD1 4.07Å; I372-Y400 HydrophobicContact CG2-CD2 3.79Å; I372-Y400 HydrophobicContact CG2-CE1 3.73Å; I372-Y400 HydrophobicContact CG2-CE2 3.46Å; I372-Y400 VanDerWaalsContact CG2-CE2 3.46Å; I372-Y400 HydrophobicContact CG2-CG 4.1Å; I372-Y400 VanDerWaalsContact CG2-CZ 3.42Å; T396-Y400 WeakPolarHBondContact O-CB 3.45Å; T396-Y400 PolarHBondContact O-N 2.92Å; V397-Y400 PolarHBondContact O-N 3.17Å; I398-Y400 VanDerWaalsContact C-N 3.3Å; I398-Y400 PolarHBondContact O-N 3.38Å; Y400-M402 PolarHBondContact O-N 2.94Å; Y400-K403 PolarHBondContact O-N 3.32Å; Y400-Q404 HydrophobicContact CD1-CB 4.37Å; Y400-Q404 HydrophobicContact CE1-CB 3.93Å; Y400-Q404 HydrophobicContact CE1-CG 3.97Å; Y400-Q404 HydrophobicContact CE2-CB 4.2Å; Y400-Q404 HydrophobicContact CE2-CG 4.46Å; Y400-Q404 WeakPolarHBondContact O-CB 3.25Å; Y400-Q404 PolarHBondContact O-N 3.11Å; Y400-Q404 WeakPolarHBondContact OH-CG 3.37Å; Y400-Q404 PolarHBondContact OH-OE1 2.71Å
401	A	97.9	Very high	96.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-61	-45.3	180	0	0	0	0	0	112.5	F306 V397 I398 K403 Q404 Q405 W407 A412	F306-A401 HydrophobicContact CE2-CB 4.18Å; F306-A401 HydrophobicContact CZ-CB 4Å; V397-A401 WeakPolarHBondContact O-CB 3.46Å; V397-A401 PolarHBondContact O-N 2.97Å; I398-A401 PolarHBondContact O-N 2.86Å; I398-A401 VanDerWaalsContact O-N 3.15Å; A401-K403 VanDerWaalsContact C-N 3.35Å; A401-K403 PolarHBondContact O-N 3.42Å; A401-Q404 PolarHBondContact O-N 2.99Å; A401-Q405 WeakPolarHBondContact O-CB 3.35Å; A401-Q405 PolarHBondContact O-N 2.88Å; A401-W407 HydrophobicContact CB-CE3 4.25Å; A401-W407 HydrophobicContact CB-CZ3 4.31Å; A401-A412 HydrophobicContact CB-CB 4.14Å
402	M	97.9	Very high	97.1	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-54.9	-48.2	174.8	-67.9	164.7	65.3	0	0	111.8	I398 Y400 H406 W407 L409 A412 L433 Y436 L440	I398-M402 HydrophobicContact CG2-CG 4.42Å; I398-M402 HydrophobicContact CG2-SD 3.98Å; I398-M402 VanDerWaalsContact O-CG 3.29Å; I398-M402 WeakPolarHBondContact O-CG 3.25Å; I398-M402 PolarHBondContact O-N 3.26Å; Y400-M402 PolarHBondContact O-N 2.94Å; M402-H406 CarbonylContact O-C 3.52Å; M402-H406 VanDerWaalsContact O-CA 3.26Å; M402-H406 WeakPolarHBondContact O-CA 3.42Å; M402-H406 PolarHBondContact O-N 2.84Å; M402-H406 VanDerWaalsContact O-N 3.11Å; M402-W407 PolarHBondContact O-N 2.9Å; M402-L409 HydrophobicContact CE-CB 4.12Å; M402-L409 HydrophobicContact CE-CD1 4.44Å; M402-L409 HydrophobicContact SD-CB 4.37Å; M402-L409 HydrophobicContact SD-CD1 3.79Å; M402-A412 HydrophobicContact CG-CB 3.52Å; M402-L433 HydrophobicContact SD-CD2 4.09Å; M402-Y436 HydrophobicContact CE-CD1 4.42Å; M402-L440 HydrophobicContact CB-CD1 3.96Å; M402-L440 HydrophobicContact CE-CD1 4.45Å
403	K	96.3	Very high	97.1	Very high	59 Å²	59	32.2 Å²	32.2	26%	0.257	16%	0.156	S	C	.	.	H	α-helix	trans	-74.7	-36.1	-178.8	-176.4	175.9	163.3	-163.2	0	113.1	Y369 A399 Y400 A401 Y436 L440	Y369-K403 HydrophobicContact CD1-CD 4.2Å; Y369-K403 HydrophobicContact CD2-CB 3.95Å; Y369-K403 HydrophobicContact CD2-CD 3.49Å; Y369-K403 VanDerWaalsContact CD2-CD 3.49Å; Y369-K403 HydrophobicContact CD2-CG 3.79Å; Y369-K403 HydrophobicContact CE1-CD 4.36Å; Y369-K403 HydrophobicContact CE2-CB 3.89Å; Y369-K403 HydrophobicContact CE2-CD 3.68Å; Y369-K403 HydrophobicContact CE2-CG 3.53Å; Y369-K403 HydrophobicContact CG-CD 3.78Å; A399-K403 PolarHBondContact O-N 3.15Å; Y400-K403 PolarHBondContact O-N 3.32Å; A401-K403 VanDerWaalsContact C-N 3.35Å; A401-K403 PolarHBondContact O-N 3.42Å; K403-Y436 HydrophobicContact CB-CE1 4.32Å; K403-Y436 WeakPolarHBondContact CD-OH 3.28Å; K403-L440 HydrophobicContact CB-CD1 4.14Å; K403-L440 HydrophobicContact CB-CD2 4.07Å; K403-L440 HydrophobicContact CD-CD2 4.25Å; K403-L440 HydrophobicContact CG-CD2 3.93Å
404	Q	95.9	Very high	96.9	Very high	31 Å²	31	34.8 Å²	34.8	15%	0.145	17%	0.174	C	C	.	.	H	α-helix	trans	-80	-30.4	-175.3	-178	58.9	89.4	0	0	113.2	Y369 Y400 A401	Y369-Q404 HydrophobicContact CE2-CB 4.08Å; Y400-Q404 HydrophobicContact CD1-CB 4.37Å; Y400-Q404 HydrophobicContact CE1-CB 3.93Å; Y400-Q404 HydrophobicContact CE1-CG 3.97Å; Y400-Q404 HydrophobicContact CE2-CB 4.2Å; Y400-Q404 HydrophobicContact CE2-CG 4.46Å; Y400-Q404 WeakPolarHBondContact O-CB 3.25Å; Y400-Q404 PolarHBondContact O-N 3.11Å; Y400-Q404 WeakPolarHBondContact OH-CG 3.37Å; Y400-Q404 PolarHBondContact OH-OE1 2.71Å; A401-Q404 PolarHBondContact O-N 2.99Å
405	Q	95.1	Very high	97	Very high	75 Å²	75	37.5 Å²	37.5	35%	0.35	19%	0.185	S	C	.	.	H	α-helix	trans	-112.5	2.4	-176	-54.2	-67.9	-6.1	0	0	112.9	F306 A401 W407	F306-Q405 HydrophobicContact CE1-CG 4.26Å; F306-Q405 HydrophobicContact CZ-CG 3.95Å; A401-Q405 WeakPolarHBondContact O-CB 3.35Å; A401-Q405 PolarHBondContact O-N 2.88Å; Q405-W407 HydrophobicContact CB-CD2 3.44Å; Q405-W407 VanDerWaalsContact CB-CD2 3.44Å; Q405-W407 HydrophobicContact CB-CE3 3.89Å; Q405-W407 HydrophobicContact CB-CG 3.78Å; Q405-W407 HydrophobicContact CB-CH2 4.2Å; Q405-W407 HydrophobicContact CB-CZ2 3.8Å; Q405-W407 HydrophobicContact CB-CZ3 4.24Å; Q405-W407 HydrophobicContact CG-CD2 4.1Å; Q405-W407 HydrophobicContact CG-CE3 4.09Å; Q405-W407 HydrophobicContact CG-CH2 3.82Å; Q405-W407 HydrophobicContact CG-CZ2 3.83Å; Q405-W407 HydrophobicContact CG-CZ3 3.96Å; Q405-W407 PolarHBondContact O-N 2.87Å
406	H	94.3	Very high	96.8	Very high	136 Å²	136	37.5 Å²	37.5	63%	0.63	19%	0.185	S	C	*	.			trans	58	22.1	-175.3	-57.4	-99.1	0	0	0	114.3	M402 Q444	M402-H406 CarbonylContact O-C 3.52Å; M402-H406 VanDerWaalsContact O-CA 3.26Å; M402-H406 WeakPolarHBondContact O-CA 3.42Å; M402-H406 PolarHBondContact O-N 2.84Å; M402-H406 VanDerWaalsContact O-N 3.11Å; H406-Q444 PolarHBondContact ND1-NE2 2.87Å
407	W	96.4	Very high	96.3	Very high	67 Å²	67	42.6 Å²	42.6	25%	0.254	20%	0.204	S	C	.	.			trans	-75	149.4	-179.5	-66.9	-20.2	0	0	0	112.9	F306 A401 M402 Q405 E411 A412 Y415	F306-W407 HydrophobicContact CE1-CH2 4.07Å; F306-W407 HydrophobicContact CE1-CZ3 4.28Å; F306-W407 HydrophobicContact CZ-CH2 4.33Å; F306-W407 HydrophobicContact CZ-CZ3 4.11Å; A401-W407 HydrophobicContact CB-CE3 4.25Å; A401-W407 HydrophobicContact CB-CZ3 4.31Å; M402-W407 PolarHBondContact O-N 2.9Å; Q405-W407 HydrophobicContact CB-CD2 3.44Å; Q405-W407 VanDerWaalsContact CB-CD2 3.44Å; Q405-W407 HydrophobicContact CB-CE3 3.89Å; Q405-W407 HydrophobicContact CB-CG 3.78Å; Q405-W407 HydrophobicContact CB-CH2 4.2Å; Q405-W407 HydrophobicContact CB-CZ2 3.8Å; Q405-W407 HydrophobicContact CB-CZ3 4.24Å; Q405-W407 HydrophobicContact CG-CD2 4.1Å; Q405-W407 HydrophobicContact CG-CE3 4.09Å; Q405-W407 HydrophobicContact CG-CH2 3.82Å; Q405-W407 HydrophobicContact CG-CZ2 3.83Å; Q405-W407 HydrophobicContact CG-CZ3 3.96Å; Q405-W407 PolarHBondContact O-N 2.87Å; W407-E411 HydrophobicContact CB-CB 4.07Å; W407-E411 HydrophobicContact CG-CB 4.35Å; W407-A412 HydrophobicContact CB-CB 4.29Å; W407-A412 HydrophobicContact CE3-CB 4.21Å; W407-Y415 HydrophobicContact CE3-CG 4.46Å; W407-Y415 HydrophobicContact CH2-CD1 4.04Å; W407-Y415 AromaticContact CH2-CD2 3.42Å; W407-Y415 HydrophobicContact CH2-CD2 3.42Å; W407-Y415 VanDerWaalsContact CH2-CD2 3.42Å; W407-Y415 HydrophobicContact CH2-CE1 4.08Å; W407-Y415 AromaticContact CH2-CE2 3.44Å; W407-Y415 HydrophobicContact CH2-CE2 3.44Å; W407-Y415 VanDerWaalsContact CH2-CE2 3.44Å; W407-Y415 AromaticContact CH2-CG 3.73Å; W407-Y415 HydrophobicContact CH2-CG 3.73Å; W407-Y415 AromaticContact CH2-CZ 3.78Å; W407-Y415 HydrophobicContact CZ2-CD2 4.33Å; W407-Y415 HydrophobicContact CZ2-CE2 4.35Å; W407-Y415 AromaticContact CZ3-CD1 3.66Å; W407-Y415 HydrophobicContact CZ3-CD1 3.66Å; W407-Y415 AromaticContact CZ3-CD2 3.69Å; W407-Y415 HydrophobicContact CZ3-CD2 3.69Å; W407-Y415 HydrophobicContact CZ3-CE1 4.06Å; W407-Y415 HydrophobicContact CZ3-CE2 4.07Å; W407-Y415 AromaticContact CZ3-CG 3.47Å; W407-Y415 HydrophobicContact CZ3-CG 3.47Å; W407-Y415 VanDerWaalsContact CZ3-CG 3.47Å
408	S	96.5	Very high	95.9	Very high	44 Å²	44	48.2 Å²	48.2	31%	0.308	23%	0.234	S	C	.	.			trans	-63	163.8	164.7	68.2	0	0	0	0	111.5	D410 E411 A412	S408-D410 VanDerWaalsContact C-N 3.31Å; S408-D410 PolarHBondContact O-N 2.85Å; S408-E411 VanDerWaalsContact CB-OE2 3.23Å; S408-E411 WeakPolarHBondContact CB-OE2 3.27Å; S408-E411 PolarHBondContact N-OE2 2.84Å; S408-E411 PolarHBondContact O-N 2.84Å; S408-E411 VanDerWaalsContact OG-CD 3.29Å; S408-E411 VanDerWaalsContact OG-CG 3.32Å; S408-E411 WeakPolarHBondContact OG-CG 3.33Å; S408-E411 PolarHBondContact OG-N 2.79Å; S408-E411 PolarHBondContact OG-OE2 2.98Å; S408-A412 WeakPolarHBondContact O-CB 3.34Å; S408-A412 PolarHBondContact O-N 2.86Å; S408-A412 VanDerWaalsContact O-N 3.07Å
409	L	97.3	Very high	95.6	Very high	16 Å²	16	53.2 Å²	53.2	8%	0.084	25%	0.253	C	S	.	.	H	α-helix	trans	-55.8	-45.6	175.1	175.5	55.8	0	0	0	111.9	I398 M402 A412 L413 L433 Q434	I398-L409 HydrophobicContact CG2-CD1 3.91Å; M402-L409 HydrophobicContact CE-CB 4.12Å; M402-L409 HydrophobicContact CE-CD1 4.44Å; M402-L409 HydrophobicContact SD-CB 4.37Å; M402-L409 HydrophobicContact SD-CD1 3.79Å; L409-A412 PolarHBondContact O-N 3.35Å; L409-L413 HydrophobicContact CD1-CB 4.46Å; L409-L413 WeakPolarHBondContact O-CB 3.23Å; L409-L413 PolarHBondContact O-N 2.97Å; L409-L433 HydrophobicContact CD1-CB 3.74Å; L409-L433 HydrophobicContact CD1-CD1 4.16Å; L409-L433 HydrophobicContact CD1-CG 4.38Å; L409-L433 HydrophobicContact CD2-CB 4.16Å; L409-Q434 HydrophobicContact CD2-CB 4.34Å; L409-Q434 HydrophobicContact CD2-CG 3.48Å; L409-Q434 VanDerWaalsContact CD2-CG 3.48Å
410	D	96.1	Very high	95	Very high	124 Å²	124	53.5 Å²	53.5	66%	0.663	25%	0.254	S	S	*	.	H	α-helix	trans	-68.4	-38.4	-174.5	-63.5	-53.3	0	0	0	112.3	S408 S414	S408-D410 VanDerWaalsContact C-N 3.31Å; S408-D410 PolarHBondContact O-N 2.85Å; D410-S414 WeakPolarHBondContact O-CB 3.32Å; D410-S414 PolarHBondContact O-N 2.82Å
411	E	97.1	Very high	94	Very high	108 Å²	108	56.8 Å²	56.8	51%	0.505	28%	0.277	S	S	.	.	H	α-helix	trans	-63.9	-50.2	173.8	-70.8	164.6	127.2	0	0	111.7	W407 S408 L413 S414 Y415	W407-E411 HydrophobicContact CB-CB 4.07Å; W407-E411 HydrophobicContact CG-CB 4.35Å; S408-E411 VanDerWaalsContact CB-OE2 3.23Å; S408-E411 WeakPolarHBondContact CB-OE2 3.27Å; S408-E411 PolarHBondContact N-OE2 2.84Å; S408-E411 PolarHBondContact O-N 2.84Å; S408-E411 VanDerWaalsContact OG-CD 3.29Å; S408-E411 VanDerWaalsContact OG-CG 3.32Å; S408-E411 WeakPolarHBondContact OG-CG 3.33Å; S408-E411 PolarHBondContact OG-N 2.79Å; S408-E411 PolarHBondContact OG-OE2 2.98Å; E411-L413 VanDerWaalsContact C-N 3.35Å; E411-L413 PolarHBondContact O-N 3.24Å; E411-S414 PolarHBondContact O-N 3.03Å; E411-Y415 WeakPolarHBondContact O-CB 3.38Å; E411-Y415 PolarHBondContact O-N 3.4Å
412	A	97.8	Very high	92.9	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-64.6	-39.1	179.3	0	0	0	0	0	112.2	I398 A401 M402 W407 S408 L409 V416	I398-A412 HydrophobicContact CG2-CB 4.11Å; A401-A412 HydrophobicContact CB-CB 4.14Å; M402-A412 HydrophobicContact CG-CB 3.52Å; W407-A412 HydrophobicContact CB-CB 4.29Å; W407-A412 HydrophobicContact CE3-CB 4.21Å; S408-A412 WeakPolarHBondContact O-CB 3.34Å; S408-A412 PolarHBondContact O-N 2.86Å; S408-A412 VanDerWaalsContact O-N 3.07Å; L409-A412 PolarHBondContact O-N 3.35Å; A412-V416 WeakPolarHBondContact O-CB 3.26Å; A412-V416 VanDerWaalsContact O-CG2 3.29Å; A412-V416 WeakPolarHBondContact O-CG2 3.4Å; A412-V416 PolarHBondContact O-N 3.02Å; A412-V416 VanDerWaalsContact O-N 3.11Å
413	L	95	Very high	92.4	Very high	11 Å²	11	57.9 Å²	57.9	6%	0.058	28%	0.283	C	S	.	.	H	α-helix	trans	-68.6	-36.4	177.3	-179.7	62.5	0	0	0	111.9	I398 L409 E411 R417	I398-L413 HydrophobicContact CD1-CD1 3.58Å; I398-L413 HydrophobicContact CG1-CD1 4.49Å; L409-L413 HydrophobicContact CD1-CB 4.46Å; L409-L413 WeakPolarHBondContact O-CB 3.23Å; L409-L413 PolarHBondContact O-N 2.97Å; E411-L413 VanDerWaalsContact C-N 3.35Å; E411-L413 PolarHBondContact O-N 3.24Å; L413-R417 WeakPolarHBondContact O-CB 3.44Å; L413-R417 VanDerWaalsContact O-CG 3.26Å; L413-R417 WeakPolarHBondContact O-CG 3Å; L413-R417 PolarHBondContact O-N 2.98Å
414	S	95.1	Very high	91.8	Very high	55 Å²	55	61.6 Å²	61.6	39%	0.385	30%	0.299	S	S	.	.	H	α-helix	trans	-65.4	-56.1	170	-164.2	0	0	0	0	110.6	D410 E411 V416 R417 D418	D410-S414 WeakPolarHBondContact O-CB 3.32Å; D410-S414 PolarHBondContact O-N 2.82Å; E411-S414 PolarHBondContact O-N 3.03Å; S414-V416 PolarHBondContact O-N 3.41Å; S414-R417 CarbonylContact O-C 3.51Å; S414-R417 WeakPolarHBondContact O-CA 3.46Å; S414-R417 WeakPolarHBondContact O-CB 3.36Å; S414-R417 PolarHBondContact O-N 3.22Å; S414-D418 VanDerWaalsContact C-OD2 3.27Å; S414-D418 PolarHBondContact O-N 3.1Å; S414-D418 PolarHBondContact OG-OD2 3.09Å
415	Y	97.1	Very high	91.6	Very high	56 Å²	56	60.3 Å²	60.3	22%	0.22	29%	0.294	C	S	.	.	H	α-helix	trans	-52.4	-37.8	-175.9	-178.2	-84.1	0	0	0	113.7	I305 F306 W407 E411 R419	I305-Y415 HydrophobicContact CG2-CD1 4.43Å; I305-Y415 HydrophobicContact CG2-CE1 4.06Å; I305-Y415 WeakPolarHBondContact O-CE1 3.4Å; I305-Y415 PolarHBondContact O-OH 3.05Å; F306-Y415 HydrophobicContact CD1-CE1 4.07Å; F306-Y415 WeakPolarHBondContact CD1-OH 3.13Å; F306-Y415 HydrophobicContact CE1-CD1 4.45Å; F306-Y415 AromaticContact CE1-CE1 3.49Å; F306-Y415 HydrophobicContact CE1-CE1 3.49Å; F306-Y415 VanDerWaalsContact CE1-CE1 3.49Å; F306-Y415 AromaticContact CE1-CZ 3.61Å; F306-Y415 WeakPolarHBondContact CE1-OH 3.22Å; F306-Y415 AromaticContact CZ-CE1 3.97Å; F306-Y415 HydrophobicContact CZ-CE1 3.97Å; W407-Y415 HydrophobicContact CE3-CG 4.46Å; W407-Y415 HydrophobicContact CH2-CD1 4.04Å; W407-Y415 AromaticContact CH2-CD2 3.42Å; W407-Y415 HydrophobicContact CH2-CD2 3.42Å; W407-Y415 VanDerWaalsContact CH2-CD2 3.42Å; W407-Y415 HydrophobicContact CH2-CE1 4.08Å; W407-Y415 AromaticContact CH2-CE2 3.44Å; W407-Y415 HydrophobicContact CH2-CE2 3.44Å; W407-Y415 VanDerWaalsContact CH2-CE2 3.44Å; W407-Y415 AromaticContact CH2-CG 3.73Å; W407-Y415 HydrophobicContact CH2-CG 3.73Å; W407-Y415 AromaticContact CH2-CZ 3.78Å; W407-Y415 HydrophobicContact CZ2-CD2 4.33Å; W407-Y415 HydrophobicContact CZ2-CE2 4.35Å; W407-Y415 AromaticContact CZ3-CD1 3.66Å; W407-Y415 HydrophobicContact CZ3-CD1 3.66Å; W407-Y415 AromaticContact CZ3-CD2 3.69Å; W407-Y415 HydrophobicContact CZ3-CD2 3.69Å; W407-Y415 HydrophobicContact CZ3-CE1 4.06Å; W407-Y415 HydrophobicContact CZ3-CE2 4.07Å; W407-Y415 AromaticContact CZ3-CG 3.47Å; W407-Y415 HydrophobicContact CZ3-CG 3.47Å; W407-Y415 VanDerWaalsContact CZ3-CG 3.47Å; E411-Y415 WeakPolarHBondContact O-CB 3.38Å; E411-Y415 PolarHBondContact O-N 3.4Å; Y415-R419 VanDerWaalsContact CD2-NH1 3.33Å; Y415-R419 VanDerWaalsContact CE2-NH1 3.35Å; Y415-R419 VanDerWaalsContact CE2-NH2 3.31Å; Y415-R419 PolarHBondContact O-NH1 3.45Å; Y415-R419 PolarHBondContact OH-NH2 3.24Å
416	V	95.3	Very high	91.2	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-76.7	-39.9	176.8	174.8	0	0	0	0	111.8	I305 L311 V397 I398 A412 S414 R419 R420 V423	I305-V416 HydrophobicContact CD1-CG1 4.39Å; I305-V416 HydrophobicContact CG2-CG2 4.19Å; L311-V416 HydrophobicContact CD2-CG1 3.83Å; V397-V416 HydrophobicContact CG1-CG1 4.26Å; V397-V416 HydrophobicContact CG1-CG2 3.96Å; I398-V416 HydrophobicContact CG1-CB 4.07Å; I398-V416 HydrophobicContact CG1-CG1 4.15Å; I398-V416 HydrophobicContact CG1-CG2 4.01Å; A412-V416 WeakPolarHBondContact O-CB 3.26Å; A412-V416 VanDerWaalsContact O-CG2 3.29Å; A412-V416 WeakPolarHBondContact O-CG2 3.4Å; A412-V416 PolarHBondContact O-N 3.02Å; A412-V416 VanDerWaalsContact O-N 3.11Å; S414-V416 PolarHBondContact O-N 3.41Å; V416-R419 PolarHBondContact O-N 2.67Å; V416-R420 PolarHBondContact O-N 3.31Å; V416-V423 HydrophobicContact CG1-CG1 4.17Å; V416-V423 HydrophobicContact CG1-CG2 4.11Å
417	R	88.3	Confident	91.1	Very high	108 Å²	108	56.2 Å²	56.2	41%	0.408	28%	0.279	S	S	.	.	H	α-helix	trans	-64.1	-38.2	173.1	-78	175	-177.7	148.3	-0.8	112.8	L413 S414 R419 R420 S421 V423	L413-R417 WeakPolarHBondContact O-CB 3.44Å; L413-R417 VanDerWaalsContact O-CG 3.26Å; L413-R417 WeakPolarHBondContact O-CG 3Å; L413-R417 PolarHBondContact O-N 2.98Å; S414-R417 CarbonylContact O-C 3.51Å; S414-R417 WeakPolarHBondContact O-CA 3.46Å; S414-R417 WeakPolarHBondContact O-CB 3.36Å; S414-R417 PolarHBondContact O-N 3.22Å; R417-R419 PolarHBondContact O-N 3.36Å; R417-R419 VanDerWaalsContact O-N 3.16Å; R417-R420 CarbonylContact O-C 3.26Å; R417-R420 PolarHBondContact O-N 3.44Å; R417-R420 VanDerWaalsContact O-N 3.16Å; R417-S421 WeakPolarHBondContact O-CA 3.21Å; R417-S421 PolarHBondContact O-N 3.38Å; R417-V423 HydrophobicContact CG-CB 4.14Å; R417-V423 HydrophobicContact CG-CG1 4.24Å
418	D	90.3	Very high	91	Very high	117 Å²	117	53.2 Å²	53.2	63%	0.626	27%	0.269	S	S	*	.	H	α-helix	trans	-60.1	-27.3	179	-61.7	-35.1	0	0	0	111.5	S414	S414-D418 VanDerWaalsContact C-OD2 3.27Å; S414-D418 PolarHBondContact O-N 3.1Å; S414-D418 PolarHBondContact OG-OD2 3.09Å
419	R	90.8	Very high	91	Very high	105 Å²	105	51.1 Å²	51.1	40%	0.396	25%	0.254	S	S	.	.	H	α-helix	trans	-98.2	-23.8	176.5	-68.4	165.7	179.4	61.5	12.3	114	S303 I305 Y415 V416 R417	S303-R419 WeakPolarHBondContact CB-O 3.45Å; S303-R419 PolarHBondContact OG-O 3.31Å; I305-R419 HydrophobicContact CD1-CB 3.87Å; I305-R419 PolarHBondContact O-NE 3.45Å; Y415-R419 VanDerWaalsContact CD2-NH1 3.33Å; Y415-R419 VanDerWaalsContact CE2-NH1 3.35Å; Y415-R419 VanDerWaalsContact CE2-NH2 3.31Å; Y415-R419 PolarHBondContact O-NH1 3.45Å; Y415-R419 PolarHBondContact OH-NH2 3.24Å; V416-R419 PolarHBondContact O-N 2.67Å; R417-R419 PolarHBondContact O-N 3.36Å; R417-R419 VanDerWaalsContact O-N 3.16Å
420	R	86.3	Confident	91	Very high	8 Å²	8	52.5 Å²	52.5	3%	0.03	26%	0.261	C	S	.	.			trans	-141.1	82.8	176.2	-164.8	169.8	-174.7	80.1	0.6	109.9	M299 K301 S303 L311 G389 V416 R417 I422 V423	M299-R420 PolarHBondContact O-NH2 3.27Å; K301-R420 PolarHBondContact O-NH1 3.18Å; S303-R420 WeakPolarHBondContact OG-CB 2.97Å; S303-R420 WeakPolarHBondContact OG-CD 3.26Å; S303-R420 VanDerWaalsContact OG-CG 3.27Å; S303-R420 WeakPolarHBondContact OG-CG 3.47Å; S303-R420 PolarHBondContact OG-NH1 2.84Å; L311-R420 HydrophobicContact CD2-CB 4.44Å; G389-R420 WeakPolarHBondContact O-CD 3.44Å; G389-R420 PolarHBondContact O-NE 2.97Å; V416-R420 PolarHBondContact O-N 3.31Å; R417-R420 CarbonylContact O-C 3.26Å; R417-R420 PolarHBondContact O-N 3.44Å; R417-R420 VanDerWaalsContact O-N 3.16Å; R420-I422 HydrophobicContact CG-CG1 3.86Å; R420-I422 PolarHBondContact O-N 3.3Å; R420-V423 HydrophobicContact CB-CG2 3.76Å; R420-V423 HydrophobicContact CG-CG2 3.89Å; R420-V423 WeakPolarHBondContact O-CB 3.46Å; R420-V423 VanDerWaalsContact O-CG2 3.31Å; R420-V423 WeakPolarHBondContact O-CG2 3.21Å; R420-V423 PolarHBondContact O-N 2.67Å
421	S	77.1	Confident	91	Very high	71 Å²	71	51.6 Å²	51.6	50%	0.497	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-7.5	-172.9	66.4	0	0	0	0	116	R257 R417	R257-S421 PolarHBondContact NE-O 2.94Å; R257-S421 PolarHBondContact NE-OG 3.2Å; R257-S421 PolarHBondContact NH2-OG 3.48Å; R417-S421 WeakPolarHBondContact O-CA 3.21Å; R417-S421 PolarHBondContact O-N 3.38Å
422	I	75.9	Confident	91.1	Very high	19 Å²	19	47.7 Å²	47.7	10%	0.097	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-0.8	174.4	70.1	170.4	0	0	0	113.5	R257 M299 V390 R420 K424	R257-I422 HydrophobicContact CG-CB 4.46Å; R257-I422 HydrophobicContact CG-CG2 3.75Å; M299-I422 HydrophobicContact CB-CD1 4.35Å; M299-I422 HydrophobicContact CE-CD1 4.3Å; M299-I422 HydrophobicContact CE-CG2 4.28Å; M299-I422 HydrophobicContact CG-CD1 4.44Å; M299-I422 HydrophobicContact CG-CG2 3.97Å; M299-I422 HydrophobicContact SD-CG2 4.43Å; V390-I422 HydrophobicContact CG2-CB 4.41Å; V390-I422 HydrophobicContact CG2-CD1 3.83Å; V390-I422 HydrophobicContact CG2-CG1 4.07Å; R420-I422 HydrophobicContact CG-CG1 3.86Å; R420-I422 PolarHBondContact O-N 3.3Å; I422-K424 PolarHBondContact O-N 2.86Å
423	V	85.6	Confident	91.1	Very high	6 Å²	6	47.7 Å²	47.7	4%	0.036	23%	0.233	C	C	.	.			trans	-68.9	114.8	-176	162.9	0	0	0	0	112.3	L311 A394 I398 V416 R417 R420	L311-V423 HydrophobicContact CD2-CG2 3.84Å; A394-V423 HydrophobicContact CB-CB 4.31Å; A394-V423 HydrophobicContact CB-CG1 3.72Å; A394-V423 HydrophobicContact CB-CG2 3.75Å; I398-V423 HydrophobicContact CD1-CG1 4.07Å; V416-V423 HydrophobicContact CG1-CG1 4.17Å; V416-V423 HydrophobicContact CG1-CG2 4.11Å; R417-V423 HydrophobicContact CG-CB 4.14Å; R417-V423 HydrophobicContact CG-CG1 4.24Å; R420-V423 HydrophobicContact CB-CG2 3.76Å; R420-V423 HydrophobicContact CG-CG2 3.89Å; R420-V423 WeakPolarHBondContact O-CB 3.46Å; R420-V423 VanDerWaalsContact O-CG2 3.31Å; R420-V423 WeakPolarHBondContact O-CG2 3.21Å; R420-V423 PolarHBondContact O-N 2.67Å
424	K	84.3	Confident	91.2	Very high	136 Å²	136	53 Å²	53	59%	0.591	26%	0.258	S	S	*	.			trans	-147.3	82.2	-177.1	-171.6	-179.6	178.2	-175.9	0	109.4	V390 I422	V390-K424 HydrophobicContact CG1-CB 4.06Å; V390-K424 CarbonylContact O-C 3.59Å; V390-K424 PolarHBondContact O-N 3.14Å; I422-K424 PolarHBondContact O-N 2.86Å
425	P	91.3	Very high	91.3	Very high	5 Å²	5	54 Å²	54	3%	0.032	26%	0.262	C	S	.	.			trans	-51.8	143.1	167.2	-28	38	0	0	0	111.6	S395 I398 F429 L430	S395-P425 WeakPolarHBondContact OG-CB 3.49Å; I398-P425 HydrophobicContact CD1-CG 3.84Å; P425-F429 HydrophobicContact CB-CB 4.28Å; P425-L430 HydrophobicContact CB-CD2 3.94Å; P425-L430 HydrophobicContact CB-CG 4.07Å; P425-L430 HydrophobicContact CG-CD2 4.28Å
426	N	88.4	Confident	91.3	Very high	29 Å²	29	52 Å²	52	16%	0.155	25%	0.254	C	S	.	.			trans	-67.2	159.4	172	75.6	50.6	0	0	0	111.6	D355 S391 G428 F429 L430	D355-N426 PolarHBondContact OD1-ND2 3.04Å; D355-N426 VanDerWaalsContact OD1-ND2 3.08Å; S391-N426 PolarHBondContact OG-N 2.62Å; N426-G428 PolarHBondContact O-N 3.33Å; N426-G428 VanDerWaalsContact O-N 3.15Å; N426-G428 WeakPolarHBondContact OD1-CA 3.32Å; N426-G428 PolarHBondContact OD1-N 3.31Å; N426-F429 VanDerWaalsContact ND2-CD2 3.25Å; N426-F429 WeakPolarHBondContact ND2-CD2 3.46Å; N426-F429 WeakPolarHBondContact ND2-CE2 3.44Å; N426-F429 WeakPolarHBondContact ND2-CZ 3.29Å; N426-F429 PolarHBondContact O-N 2.74Å; N426-F429 PolarHBondContact OD1-N 3.25Å; N426-L430 PolarHBondContact O-N 3.09Å
427	D	90.4	Very high	91.4	Very high	95 Å²	95	52.9 Å²	52.9	51%	0.508	26%	0.26	S	S	.	.	H	α-helix	trans	-59.8	-29.4	-174	-76	12.8	0	0	0	113.4	E357 K431	E357-D427 HydrophobicContact CG-CB 4.49Å; E357-D427 WeakPolarHBondContact OE2-CB 3.35Å; D427-K431 WeakPolarHBondContact O-CD 3.36Å; D427-K431 WeakPolarHBondContact O-CE 3.38Å; D427-K431 WeakPolarHBondContact O-CG 3.4Å; D427-K431 PolarHBondContact O-N 2.97Å; D427-K431 VanDerWaalsContact O-N 3.11Å
428	G	95.2	Very high	91.6	Very high	5 Å²	5	49.7 Å²	49.7	5%	0.052	26%	0.261	C	S	.	.	H	α-helix	trans	-66.1	-44.8	173.3	0	0	0	0	0	112.3	E357 N426 K431 Q432	E357-G428 PolarHBondContact OE2-N 3.34Å; N426-G428 PolarHBondContact O-N 3.33Å; N426-G428 VanDerWaalsContact O-N 3.15Å; N426-G428 WeakPolarHBondContact OD1-CA 3.32Å; N426-G428 PolarHBondContact OD1-N 3.31Å; G428-K431 PolarHBondContact O-N 2.88Å; G428-Q432 WeakPolarHBondContact O-CG 3.46Å; G428-Q432 PolarHBondContact O-N 2.64Å; G428-Q432 PolarHBondContact O-NE2 3.01Å
429	F	97	Very high	91.8	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-70.5	-33.2	176.1	-58	-21.7	0	0	0	112.4	D355 T359 L361 S391 R392 S395 P425 N426 Q432 L433	D355-F429 WeakPolarHBondContact OD1-CE2 3.48Å; T359-F429 HydrophobicContact CG2-CE1 3.84Å; T359-F429 HydrophobicContact CG2-CZ 4.04Å; T359-F429 WeakPolarHBondContact O-CE1 3.36Å; L361-F429 HydrophobicContact CD1-CD1 3.79Å; L361-F429 HydrophobicContact CD1-CD2 3.87Å; L361-F429 HydrophobicContact CD1-CE1 3.69Å; L361-F429 HydrophobicContact CD1-CE2 3.76Å; L361-F429 HydrophobicContact CD1-CG 3.91Å; L361-F429 HydrophobicContact CD1-CZ 3.68Å; L361-F429 HydrophobicContact CG-CD1 4.14Å; L361-F429 HydrophobicContact CG-CE1 3.81Å; L361-F429 HydrophobicContact CG-CZ 4.1Å; S391-F429 WeakPolarHBondContact OG-CD2 3.41Å; S391-F429 WeakPolarHBondContact OG-CE2 3.35Å; R392-F429 HydrophobicContact CB-CE2 4.36Å; R392-F429 HydrophobicContact CG-CE2 3.59Å; R392-F429 HydrophobicContact CG-CZ 3.83Å; S395-F429 WeakPolarHBondContact OG-CB 3.45Å; S395-F429 WeakPolarHBondContact OG-CD2 3.43Å; P425-F429 HydrophobicContact CB-CB 4.28Å; N426-F429 VanDerWaalsContact ND2-CD2 3.25Å; N426-F429 WeakPolarHBondContact ND2-CD2 3.46Å; N426-F429 WeakPolarHBondContact ND2-CE2 3.44Å; N426-F429 WeakPolarHBondContact ND2-CZ 3.29Å; N426-F429 PolarHBondContact O-N 2.74Å; N426-F429 PolarHBondContact OD1-N 3.25Å; F429-Q432 PolarHBondContact O-N 3.14Å; F429-L433 WeakPolarHBondContact O-CB 3.48Å; F429-L433 WeakPolarHBondContact O-CG 3.45Å; F429-L433 PolarHBondContact O-N 2.86Å
430	L	96.3	Very high	92	Very high	44 Å²	44	44.4 Å²	44.4	23%	0.23	24%	0.24	C	C	.	.	H	α-helix	trans	-61.7	-44.4	171.5	-70.2	174.9	0	0	0	111.8	P425 N426 Q432 L433 Q434	P425-L430 HydrophobicContact CB-CD2 3.94Å; P425-L430 HydrophobicContact CB-CG 4.07Å; P425-L430 HydrophobicContact CG-CD2 4.28Å; N426-L430 PolarHBondContact O-N 3.09Å; L430-Q432 VanDerWaalsContact C-N 3.3Å; L430-Q432 PolarHBondContact O-N 2.95Å; L430-L433 PolarHBondContact O-N 3.46Å; L430-Q434 WeakPolarHBondContact O-CG 3.49Å; L430-Q434 PolarHBondContact O-N 2.79Å
431	K	97.4	Very high	92.2	Very high	106 Å²	106	47.9 Å²	47.9	46%	0.461	26%	0.258	S	S	.	.	H	α-helix	trans	-62	-38	174.7	-64.3	152.7	-157.9	160.3	0	111.5	E357 D427 G428 T435	E357-K431 IonicContact OE2-NZ 2.83Å; E357-K431 PolarHBondContact OE2-NZ 3.27Å; D427-K431 WeakPolarHBondContact O-CD 3.36Å; D427-K431 WeakPolarHBondContact O-CE 3.38Å; D427-K431 WeakPolarHBondContact O-CG 3.4Å; D427-K431 PolarHBondContact O-N 2.97Å; D427-K431 VanDerWaalsContact O-N 3.11Å; G428-K431 PolarHBondContact O-N 2.88Å; K431-T435 WeakPolarHBondContact O-CB 3.49Å; K431-T435 PolarHBondContact O-N 2.66Å; K431-T435 PolarHBondContact O-OG1 3.32Å
432	Q	98	Very high	92.7	Very high	26 Å²	26	46.4 Å²	46.4	12%	0.121	25%	0.251	C	S	.	.	H	α-helix	trans	-68.3	-41.7	175	-73.1	170.6	53.3	0	0	112.3	T359 L362 W365 G428 F429 L430 T435 Y436	T359-Q432 PolarHBondContact O-NE2 3.42Å; L362-Q432 HydrophobicContact CB-CB 4.22Å; L362-Q432 HydrophobicContact CB-CG 4.22Å; L362-Q432 VanDerWaalsContact N-OE1 3.13Å; W365-Q432 HydrophobicContact CH2-CB 3.72Å; W365-Q432 HydrophobicContact CZ3-CB 4.11Å; G428-Q432 WeakPolarHBondContact O-CG 3.46Å; G428-Q432 PolarHBondContact O-N 2.64Å; G428-Q432 PolarHBondContact O-NE2 3.01Å; F429-Q432 PolarHBondContact O-N 3.14Å; L430-Q432 VanDerWaalsContact C-N 3.3Å; L430-Q432 PolarHBondContact O-N 2.95Å; Q432-T435 CarbonylContact O-C 3.51Å; Q432-T435 WeakPolarHBondContact O-CB 3.46Å; Q432-T435 PolarHBondContact O-N 3.26Å; Q432-Y436 PolarHBondContact O-N 3.31Å
433	L	98	Very high	93.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62.8	-42	175.2	-77.4	170.4	0	0	0	112	W365 I398 A399 M402 L409 F429 L430 T435 Y436 S437	W365-L433 HydrophobicContact CH2-CB 4.4Å; W365-L433 HydrophobicContact CH2-CD2 3.6Å; W365-L433 HydrophobicContact CH2-CG 3.67Å; W365-L433 HydrophobicContact CZ2-CD2 4.02Å; W365-L433 HydrophobicContact CZ2-CG 4.26Å; W365-L433 HydrophobicContact CZ3-CD2 3.94Å; W365-L433 HydrophobicContact CZ3-CG 4.29Å; I398-L433 HydrophobicContact CB-CD1 4.36Å; I398-L433 HydrophobicContact CB-CD2 4.32Å; I398-L433 HydrophobicContact CD1-CD1 4.39Å; I398-L433 HydrophobicContact CG2-CD1 4.11Å; I398-L433 HydrophobicContact CG2-CD2 4.06Å; A399-L433 HydrophobicContact CB-CD2 3.85Å; M402-L433 HydrophobicContact SD-CD2 4.09Å; L409-L433 HydrophobicContact CD1-CB 3.74Å; L409-L433 HydrophobicContact CD1-CD1 4.16Å; L409-L433 HydrophobicContact CD1-CG 4.38Å; L409-L433 HydrophobicContact CD2-CB 4.16Å; F429-L433 WeakPolarHBondContact O-CB 3.48Å; F429-L433 WeakPolarHBondContact O-CG 3.45Å; F429-L433 PolarHBondContact O-N 2.86Å; L430-L433 PolarHBondContact O-N 3.46Å; L433-T435 VanDerWaalsContact C-N 3.33Å; L433-T435 PolarHBondContact O-N 2.92Å; L433-Y436 PolarHBondContact O-N 3.16Å; L433-S437 PolarHBondContact O-N 3.5Å
434	Q	97.4	Very high	92.8	Very high	122 Å²	122	51.8 Å²	51.8	57%	0.57	28%	0.281	S	S	*	.	H	α-helix	trans	-59.4	-44.1	171.7	-71.9	170	-10.9	0	0	111.4	L409 L430 Y436 S437 G438	L409-Q434 HydrophobicContact CD2-CB 4.34Å; L409-Q434 HydrophobicContact CD2-CG 3.48Å; L409-Q434 VanDerWaalsContact CD2-CG 3.48Å; L430-Q434 WeakPolarHBondContact O-CG 3.49Å; L430-Q434 PolarHBondContact O-N 2.79Å; Q434-Y436 VanDerWaalsContact C-N 3.35Å; Q434-Y436 PolarHBondContact O-N 2.8Å; Q434-S437 WeakPolarHBondContact O-CB 3.45Å; Q434-S437 PolarHBondContact O-N 3.46Å; Q434-G438 PolarHBondContact O-N 2.89Å
435	T	97.3	Very high	92.3	Very high	76 Å²	76	51.9 Å²	51.9	47%	0.466	28%	0.283	S	S	.	.	H	α-helix	trans	-61.4	-42.5	175.8	-55.5	0	0	0	0	111.4	L362 K431 Q432 L433 G438 I439	L362-T435 HydrophobicContact CD2-CG2 3.91Å; K431-T435 WeakPolarHBondContact O-CB 3.49Å; K431-T435 PolarHBondContact O-N 2.66Å; K431-T435 PolarHBondContact O-OG1 3.32Å; Q432-T435 CarbonylContact O-C 3.51Å; Q432-T435 WeakPolarHBondContact O-CB 3.46Å; Q432-T435 PolarHBondContact O-N 3.26Å; L433-T435 VanDerWaalsContact C-N 3.33Å; L433-T435 PolarHBondContact O-N 2.92Å; T435-G438 PolarHBondContact O-N 3.02Å; T435-I439 HydrophobicContact CG2-CD1 4.25Å; T435-I439 WeakPolarHBondContact O-CG1 3.42Å; T435-I439 PolarHBondContact O-N 3.13Å
436	Y	97.5	Very high	90.9	Very high	14 Å²	14	60.9 Å²	60.9	6%	0.055	32%	0.316	C	S	.	.	H	α-helix	trans	-65.3	-39.4	176.8	-165.2	-119	0	0	0	112.5	L362 W365 A399 M402 K403 Q432 L433 Q434 G438 I439 L440	L362-Y436 HydrophobicContact CD1-CD2 3.65Å; L362-Y436 HydrophobicContact CD1-CG 4.13Å; W365-Y436 HydrophobicContact CB-CE2 4.21Å; W365-Y436 HydrophobicContact CE3-CD1 4.06Å; W365-Y436 AromaticContact CE3-CD2 3.94Å; W365-Y436 HydrophobicContact CE3-CD2 3.94Å; W365-Y436 HydrophobicContact CE3-CE2 4.4Å; W365-Y436 AromaticContact CE3-CG 3.73Å; W365-Y436 HydrophobicContact CE3-CG 3.73Å; W365-Y436 HydrophobicContact CZ3-CG 4.13Å; A399-Y436 HydrophobicContact CB-CD1 4.12Å; A399-Y436 HydrophobicContact CB-CE1 4.02Å; M402-Y436 HydrophobicContact CE-CD1 4.42Å; K403-Y436 HydrophobicContact CB-CE1 4.32Å; K403-Y436 WeakPolarHBondContact CD-OH 3.28Å; Q432-Y436 PolarHBondContact O-N 3.31Å; L433-Y436 PolarHBondContact O-N 3.16Å; Q434-Y436 VanDerWaalsContact C-N 3.35Å; Q434-Y436 PolarHBondContact O-N 2.8Å; Y436-G438 VanDerWaalsContact C-N 3.27Å; Y436-G438 PolarHBondContact O-N 2.83Å; Y436-I439 PolarHBondContact O-N 2.92Å; Y436-I439 VanDerWaalsContact O-N 3.1Å; Y436-L440 HydrophobicContact CD1-CD1 3.82Å; Y436-L440 HydrophobicContact CD1-CG 4.2Å; Y436-L440 HydrophobicContact CE1-CD1 3.75Å; Y436-L440 HydrophobicContact CE1-CD2 4.28Å; Y436-L440 HydrophobicContact CE1-CG 4.12Å; Y436-L440 WeakPolarHBondContact O-CG 3.41Å; Y436-L440 PolarHBondContact O-N 2.86Å
437	S	95.9	Very high	89.5	Confident	19 Å²	19	67.9 Å²	67.9	13%	0.133	35%	0.348	C	S	.	.	H	α-helix	trans	-56.6	-43	172.3	-160.9	0	0	0	0	111.4	L433 Q434 L440 N441	L433-S437 PolarHBondContact O-N 3.5Å; Q434-S437 WeakPolarHBondContact O-CB 3.45Å; Q434-S437 PolarHBondContact O-N 3.46Å; S437-L440 PolarHBondContact O-N 2.66Å; S437-N441 WeakPolarHBondContact O-CB 3.48Å; S437-N441 PolarHBondContact O-N 3.01Å; S437-N441 PolarHBondContact O-OD1 3.43Å
438	G	94.2	Very high	87.8	Confident	41 Å²	41	65.8 Å²	65.8	42%	0.423	34%	0.341	S	S	.	.	H	α-helix	trans	-62.7	-41	174.4	0	0	0	0	0	113.3	Q434 T435 Y436 A442	Q434-G438 PolarHBondContact O-N 2.89Å; T435-G438 PolarHBondContact O-N 3.02Å; Y436-G438 VanDerWaalsContact C-N 3.27Å; Y436-G438 PolarHBondContact O-N 2.83Å; G438-A442 VanDerWaalsContact O-CB 3.28Å; G438-A442 WeakPolarHBondContact O-CB 3.44Å; G438-A442 PolarHBondContact O-N 2.89Å
439	I	93.9	Very high	86	Confident	90 Å²	90	69.4 Å²	69.4	46%	0.462	37%	0.37	S	S	.	.	H	α-helix	trans	-64.8	-44.8	176.8	-67.3	165	0	0	0	111.3	L362 T435 Y436 A442 S443	L362-I439 HydrophobicContact CD1-CD1 4.36Å; T435-I439 HydrophobicContact CG2-CD1 4.25Å; T435-I439 WeakPolarHBondContact O-CG1 3.42Å; T435-I439 PolarHBondContact O-N 3.13Å; Y436-I439 PolarHBondContact O-N 2.92Å; Y436-I439 VanDerWaalsContact O-N 3.1Å; I439-A442 PolarHBondContact O-N 3.38Å; I439-S443 PolarHBondContact O-N 3.24Å
440	L	93.7	Very high	84.1	Confident	21 Å²	21	77.1 Å²	77.1	11%	0.11	41%	0.41	C	S	.	.	H	α-helix	trans	-61.9	-50	177.6	-69	176.2	0	0	0	111	M402 K403 Y436 S437 A442 S443 Q444	M402-L440 HydrophobicContact CB-CD1 3.96Å; M402-L440 HydrophobicContact CE-CD1 4.45Å; K403-L440 HydrophobicContact CB-CD1 4.14Å; K403-L440 HydrophobicContact CB-CD2 4.07Å; K403-L440 HydrophobicContact CD-CD2 4.25Å; K403-L440 HydrophobicContact CG-CD2 3.93Å; Y436-L440 HydrophobicContact CD1-CD1 3.82Å; Y436-L440 HydrophobicContact CD1-CG 4.2Å; Y436-L440 HydrophobicContact CE1-CD1 3.75Å; Y436-L440 HydrophobicContact CE1-CD2 4.28Å; Y436-L440 HydrophobicContact CE1-CG 4.12Å; Y436-L440 WeakPolarHBondContact O-CG 3.41Å; Y436-L440 PolarHBondContact O-N 2.86Å; S437-L440 PolarHBondContact O-N 2.66Å; L440-A442 VanDerWaalsContact C-N 3.32Å; L440-A442 PolarHBondContact O-N 2.94Å; L440-S443 PolarHBondContact O-N 3.48Å; L440-S443 PolarHBondContact O-OG 3.08Å; L440-Q444 WeakPolarHBondContact O-CG 3.37Å; L440-Q444 PolarHBondContact O-N 3.37Å
441	N	90.4	Very high	82	Confident	80 Å²	80	84.6 Å²	84.6	43%	0.428	44%	0.436	S	S	.	.	H	α-helix	trans	-58.9	-43.4	178.4	-65.8	-0.8	0	0	0	111.7	S437 S443 Q444 Q445	S437-N441 WeakPolarHBondContact O-CB 3.48Å; S437-N441 PolarHBondContact O-N 3.01Å; S437-N441 PolarHBondContact O-OD1 3.43Å; N441-S443 VanDerWaalsContact C-N 3.33Å; N441-S443 PolarHBondContact O-N 3.37Å; N441-Q444 PolarHBondContact O-N 3Å; N441-Q445 WeakPolarHBondContact O-CG 3.36Å; N441-Q445 PolarHBondContact O-N 3.3Å
442	A	89.1	Confident	79.6	Confident	41 Å²	41	88 Å²	88	34%	0.339	45%	0.451	S	S	.	.	H	α-helix	trans	-67.3	-30.2	176	0	0	0	0	0	113.3	G438 I439 L440 R446	G438-A442 VanDerWaalsContact O-CB 3.28Å; G438-A442 WeakPolarHBondContact O-CB 3.44Å; G438-A442 PolarHBondContact O-N 2.89Å; I439-A442 PolarHBondContact O-N 3.38Å; L440-A442 VanDerWaalsContact C-N 3.32Å; L440-A442 PolarHBondContact O-N 2.94Å; A442-R446 WeakPolarHBondContact O-CG 3.37Å
443	S	84.6	Confident	77.1	Confident	50 Å²	50	92.5 Å²	92.5	35%	0.35	48%	0.482	S	S	.	.	H	α-helix	trans	-70.4	-42.5	174.1	70.1	0	0	0	0	112.1	I439 L440 N441 Q445 R446 H447	I439-S443 PolarHBondContact O-N 3.24Å; L440-S443 PolarHBondContact O-N 3.48Å; L440-S443 PolarHBondContact O-OG 3.08Å; N441-S443 VanDerWaalsContact C-N 3.33Å; N441-S443 PolarHBondContact O-N 3.37Å; S443-Q445 VanDerWaalsContact C-N 3.33Å; S443-Q445 PolarHBondContact O-N 3.07Å; S443-R446 WeakPolarHBondContact O-CB 3.48Å; S443-R446 PolarHBondContact O-N 3.01Å; S443-R446 VanDerWaalsContact O-N 3.13Å; S443-H447 PolarHBondContact O-CD2 3.46Å
444	Q	78.5	Confident	74.8	Confident	88 Å²	88	104.3 Å²	104.3	41%	0.411	53%	0.526	S	S	.	.	H	α-helix	trans	-60.3	-43.8	178.1	-68.3	170.2	8.3	0	0	110.9	H406 L440 N441 R446 H447	H406-Q444 PolarHBondContact ND1-NE2 2.87Å; L440-Q444 WeakPolarHBondContact O-CG 3.37Å; L440-Q444 PolarHBondContact O-N 3.37Å; N441-Q444 PolarHBondContact O-N 3Å; Q444-R446 PolarHBondContact O-N 2.95Å; Q444-H447 PolarHBondContact O-N 3.47Å; Q444-H447 VanDerWaalsContact O-N 3.1Å
445	Q	73.1	Confident	72.1	Confident	138 Å²	138	107.2 Å²	107.2	65%	0.645	54%	0.54	S	S	*	.	H	α-helix	trans	-61.4	-27.5	177.7	-71.1	176.4	-2.7	0	0	114	N441 S443 H447 S448	N441-Q445 WeakPolarHBondContact O-CG 3.36Å; N441-Q445 PolarHBondContact O-N 3.3Å; S443-Q445 VanDerWaalsContact C-N 3.33Å; S443-Q445 PolarHBondContact O-N 3.07Å; Q445-H447 VanDerWaalsContact C-N 3.29Å; Q445-H447 PolarHBondContact O-N 3.33Å; Q445-S448 WeakPolarHBondContact O-CB 3.44Å; Q445-S448 PolarHBondContact O-N 3.22Å; Q445-S448 PolarHBondContact O-OG 3.44Å
446	R	63.6	Low	69.6	Low	193 Å²	193	113.2 Å²	113.2	73%	0.728	56%	0.56	S	S	*	*	H	α-helix	trans	-72.1	-20.5	176.9	-71.7	173.6	-178.4	-177.6	1.1	113.9	A442 S443 Q444	A442-R446 WeakPolarHBondContact O-CG 3.37Å; S443-R446 WeakPolarHBondContact O-CB 3.48Å; S443-R446 PolarHBondContact O-N 3.01Å; S443-R446 VanDerWaalsContact O-N 3.13Å; Q444-R446 PolarHBondContact O-N 2.95Å
447	H	57.1	Low	66.8	Low	177 Å²	177	117.6 Å²	117.6	82%	0.819	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	-3.2	173.8	-71	-94.2	0	0	0	112.7	S443 Q444 Q445	S443-H447 PolarHBondContact O-CD2 3.46Å; Q444-H447 PolarHBondContact O-N 3.47Å; Q444-H447 VanDerWaalsContact O-N 3.1Å; Q445-H447 VanDerWaalsContact C-N 3.29Å; Q445-H447 PolarHBondContact O-N 3.33Å
448	S	56.2	Low	64.2	Low	51 Å²	51	123.3 Å²	123.3	36%	0.357	63%	0.626	S	S	.	*	S	Bend	trans	-66.9	142.5	168.8	73.2	0	0	0	0	111.3	Q445 L450 W451	Q445-S448 WeakPolarHBondContact O-CB 3.44Å; Q445-S448 PolarHBondContact O-N 3.22Å; Q445-S448 PolarHBondContact O-OG 3.44Å; S448-L450 PolarHBondContact O-N 3.17Å; S448-W451 PolarHBondContact O-N 2.97Å
449	A	56.1	Low	61.5	Low	81 Å²	81	132.7 Å²	132.7	67%	0.669	65%	0.649	S	S	*	*	G	3₁₀ helix	trans	-57.7	-24.3	-169.8	0	0	0	0	0	114.8	W451 K452	A449-W451 PolarHBondContact O-N 3.1Å; A449-K452 PolarHBondContact O-N 3.36Å
450	L	58.1	Low	58.7	Low	161 Å²	161	138.1 Å²	138.1	84%	0.843	67%	0.669	S	S	*	*	G	3₁₀ helix	trans	-57.5	-15.8	-176.8	-67.8	169	0	0	0	115.4	S448	S448-L450 PolarHBondContact O-N 3.17Å
451	W	52.6	Low	55.8	Low	202 Å²	202	142.8 Å²	142.8	77%	0.765	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-105.4	3.3	-177.2	-78.3	85.2	0	0	0	115.7	S448 A449 P453	S448-W451 PolarHBondContact O-N 2.97Å; A449-W451 PolarHBondContact O-N 3.1Å; W451-P453 VanDerWaalsContact O-CD 3.27Å; W451-P453 WeakPolarHBondContact O-CD 3.49Å
452	K	46.2	Very low	53.1	Low	178 Å²	178	148.6 Å²	148.6	77%	0.774	73%	0.725	S	S	*	*	S	Bend	trans	-66.7	118.6	171.9	-75.5	-178.2	178.9	173.8	0	110.5	A449 R454	A449-K452 PolarHBondContact O-N 3.36Å; K452-R454 PolarHBondContact O-N 3.04Å
453	P	46.3	Very low	50.4	Low	119 Å²	119	149.5 Å²	149.5	77%	0.773	74%	0.738	S	S	*	*			trans	-69.2	121.6	-177.9	-19.8	33.2	0	0	0	112.2	W451 Q455	W451-P453 VanDerWaalsContact O-CD 3.27Å; W451-P453 WeakPolarHBondContact O-CD 3.49Å; P453-Q455 PolarHBondContact O-N 3.48Å
454	R	49.2	Very low	47.9	Very low	248 Å²	248	155.3 Å²	155.3	94%	0.936	76%	0.76	S	S	*	*			trans	-62.1	97.3	176.6	-66.6	178.4	86.3	152.1	5.5	110.8	K452 K456	K452-R454 PolarHBondContact O-N 3.04Å; R454-K456 PolarHBondContact O-N 3.45Å
455	Q	41.5	Very low	45.6	Very low	184 Å²	184	159.5 Å²	159.5	86%	0.86	78%	0.78	S	S	*	*			trans	-64.4	121.9	176.7	-71.7	-171.2	-15.6	0	0	110.9	P453 S457	P453-Q455 PolarHBondContact O-N 3.48Å; Q455-S457 PolarHBondContact O-N 3.13Å; Q455-S457 VanDerWaalsContact O-N 3.1Å
456	K	43.4	Very low	43.6	Very low	201 Å²	201	158.8 Å²	158.8	87%	0.874	79%	0.785	S	S	*	*			trans	-75.4	96.9	175.3	-76.6	-176	174.3	179.1	0	110.9	R454 V458	R454-K456 PolarHBondContact O-N 3.45Å; K456-V458 PolarHBondContact O-N 3.42Å
457	S	40.2	Very low	42	Very low	107 Å²	107	156.9 Å²	156.9	75%	0.748	79%	0.789	S	S	*	*			trans	-72.9	87.8	175.5	48	0	0	0	0	112.3	Q455 R459	Q455-S457 PolarHBondContact O-N 3.13Å; Q455-S457 VanDerWaalsContact O-N 3.1Å; S457-R459 PolarHBondContact O-N 2.79Å
458	V	39.4	Very low	40.8	Very low	139 Å²	139	157.2 Å²	157.2	84%	0.842	79%	0.788	S	S	*	*			trans	-72.9	88.2	172.5	-177.2	0	0	0	0	110	K456	K456-V458 PolarHBondContact O-N 3.42Å
459	R	39.3	Very low	40.5	Very low	238 Å²	238	160.6 Å²	160.6	90%	0.898	81%	0.809	S	S	*	*			trans	-82	147.1	168.9	-79.1	-173.2	169.4	179.7	-1.5	111.3	S457	S457-R459 PolarHBondContact O-N 2.79Å
460	K	34	Very low	39.2	Very low	204 Å²	204	160.7 Å²	160.7	89%	0.887	82%	0.817	S	S	*	*			trans	-136.3	106.1	-170.9	174.8	-169.6	172.4	-175.2	0	110.7
461	S	32.9	Very low	37.9	Very low	119 Å²	119	156.9 Å²	156.9	83%	0.832	82%	0.817	S	S	*	*			trans	-153.7	157.7	167.9	42.6	0	0	0	0	109.8
462	K	34	Very low	36.9	Very low	201 Å²	201	156.5 Å²	156.5	87%	0.874	82%	0.823	S	S	*	*			trans	-102.1	146.4	-177.6	-74.5	179.6	163.9	-168	0	111.4
463	G	31.4	Very low	36.3	Very low	60 Å²	60	154.6 Å²	154.6	62%	0.619	82%	0.822	S	S	*	*			trans	71.2	159.6	150	0	0	0	0	0	118.8
464	E	31.9	Very low	35.7	Very low	173 Å²	173	155.4 Å²	155.4	81%	0.808	82%	0.82	S	S	*	*			cis	-175	137.2	-13.4	-105.3	116.4	-126.4	0	0	104.6
465	E	30.7	Very low	35	Very low	176 Å²	176	150.8 Å²	150.8	82%	0.822	81%	0.813	S	S	*	*			cis	-162.7	-174.9	-3.6	-170.3	167.2	-115.2	0	0	108.6
466	V	32	Very low	34.7	Very low	123 Å²	123	150.7 Å²	150.7	75%	0.745	81%	0.813	S	S	*	*			trans	96.7	132.8	161.7	-169.5	0	0	0	0	120.2
467	D	30.1	Very low	34.7	Very low	152 Å²	152	150.5 Å²	150.5	81%	0.813	82%	0.815	S	S	*	*			trans	83.1	161.9	159.7	-100.1	-39.6	0	0	0	125.7
468	K	31.8	Very low	34.5	Very low	185 Å²	185	152.1 Å²	152.1	80%	0.804	82%	0.815	S	S	*	*			trans	-151.7	176.2	-164.5	-108.4	-172.6	177.4	-176.6	0	109.6
469	P	49.1	Very low	34.3	Very low	122 Å²	122	155.1 Å²	155.1	79%	0.792	82%	0.82	S	S	*	*			cis	-134.7	176.3	-25.7	39.2	-23.6	0	0	0	114.1
470	G	28.9	Very low	34.2	Very low	83 Å²	83	150.8 Å²	150.8	86%	0.856	82%	0.815	S	S	*	*			trans	112.7	163	150.5	0	0	0	0	0	116.8
471	G	30.4	Very low	34.3	Very low	80 Å²	80	150.7 Å²	150.7	83%	0.825	82%	0.818	S	S	*	*			trans	126.1	116.8	175.9	0	0	0	0	0	113.2
472	E	32	Very low	34.7	Very low	194 Å²	194	152.2 Å²	152.2	91%	0.907	82%	0.817	S	S	*	*			trans	-83.3	174.4	-177.1	-69.7	155.9	149	0	0	113.4
473	D	32.5	Very low	35	Very low	138 Å²	138	152.2 Å²	152.2	74%	0.738	82%	0.82	S	S	*	*			trans	-59.9	153.3	-178	-43.1	-78.9	0	0	0	114.5
474	N	34.6	Very low	35.5	Very low	137 Å²	137	157.1 Å²	157.1	73%	0.733	83%	0.832	S	S	*	*				172.6	142.7	101.6	-84.8	-59.7	0	0	0	113.5
475	D	33.8	Very low	35.7	Very low	150 Å²	150	158.4 Å²	158.4	80%	0.802	84%	0.838	S	S	*	*			trans	58	159.7	144.4	-54.8	-19.6	0	0	0	122.4
476	E	36.4	Very low	36.1	Very low	183 Å²	183	159.4 Å²	159.4	86%	0.855	84%	0.842	S	S	*	*			trans	-109.7	151.2	-159.3	-65	167.5	139.1	0	0	112.3
477	E	42.3	Very low	36.3	Very low	197 Å²	197	161.8 Å²	161.8	92%	0.921	85%	0.851	S	S	*	*			trans	-103.3	133.6	165.3	-66	-179.6	149.8	0	0	108.4
478	D	37.5	Very low	36.6	Very low	140 Å²	140	162.4 Å²	162.4	75%	0.749	85%	0.854	S	S	*	*			trans	-130.9	111.6	171.1	-79.4	-38.1	0	0	0	109.9
479	E	34.2	Very low	36.9	Very low	202 Å²	202	160.2 Å²	160.2	94%	0.944	86%	0.856	S	S	*	*			trans	-134.1	116.9	153.5	-74.3	-166.2	153	0	0	107.2
480	D	37.4	Very low	36.4	Very low	148 Å²	148	162.2 Å²	162.2	79%	0.791	86%	0.86	S	S	*	*			trans	-84	146.4	-179.9	-64	-71.8	0	0	0	112.2
481	E	36.4	Very low	36.9	Very low	201 Å²	201	165.9 Å²	165.9	94%	0.939	86%	0.855	S	S	*	*			trans	-130.9	135.9	155.1	-72.8	-165.8	139.9	0	0	109.5
482	D	41.7	Very low	37	Very low	152 Å²	152	172.4 Å²	172.4	81%	0.813	86%	0.861	S	S	*	*			trans	-88.9	147.4	-175.8	-52.7	-81.1	0	0	0	113.1
483	E	39.2	Very low	37.3	Very low	200 Å²	200	169.1 Å²	169.1	94%	0.935	85%	0.849	S	S	*	*			trans	-137.8	137.9	153.6	-72.2	-164.7	139.7	0	0	110.7
484	D	41.6	Very low	37.1	Very low	164 Å²	164	167.9 Å²	167.9	88%	0.877	85%	0.851	S	S	*	*			trans	-93.7	151.2	176.8	-67	-67.9	0	0	0	111.6
485	E	37.7	Very low	36.9	Very low	200 Å²	200	167 Å²	167	94%	0.935	85%	0.851	S	S	*	*			trans	-131.4	141.1	164.5	-72.9	-170.2	137.4	0	0	111.3
486	E	39.3	Very low	36.9	Very low	196 Å²	196	165.1 Å²	165.1	92%	0.916	85%	0.85	S	S	*	*			trans	-105.3	146.1	170.5	-63.2	-168	135.2	0	0	110.2
487	D	36.3	Very low	37.7	Very low	173 Å²	173	161.9 Å²	161.9	93%	0.925	84%	0.844	S	S	*	*			trans	-94.6	124.4	179.8	-91.5	-47	0	0	0	112.4
488	D	35.9	Very low	37.1	Very low	166 Å²	166	159.3 Å²	159.3	89%	0.888	84%	0.837	S	S	*	*			trans	-89.1	160.8	175.9	-110.1	-38.8	0	0	0	113.5
489	V	38.2	Very low	36.9	Very low	139 Å²	139	159.3 Å²	159.3	84%	0.842	83%	0.832	S	S	*	*			trans	-142.4	124.5	169.9	-168.6	0	0	0	0	112.1
490	D	38	Very low	36.7	Very low	163 Å²	163	156.4 Å²	156.4	87%	0.872	82%	0.816	S	S	*	*			trans	-69.5	158.3	-167.2	-95	-51	0	0	0	118.7
491	E	40.5	Very low	36.2	Very low	161 Å²	161	155.8 Å²	155.8	75%	0.752	81%	0.813	S	S	*	*			trans	-78.9	177.4	-177	-53.6	-179	103.5	0	0	116.3
492	K	31.9	Very low	35.7	Very low	216 Å²	216	152.5 Å²	152.5	94%	0.939	80%	0.802	S	S	*	*			trans	-148.5	142.8	133.2	-80.3	-140.7	171.5	-171.2	0	115.1
493	D	37.3	Very low	35.1	Very low	125 Å²	125	148.3 Å²	148.3	67%	0.668	79%	0.785	S	S	*	*			trans	-74.6	153.9	-168.5	-94.5	-61.1	0	0	0	120.4
494	S	29.2	Very low	34.5	Very low	112 Å²	112	146.7 Å²	146.7	78%	0.783	78%	0.777	S	S	*	*				176.3	118.8	113.7	30.3	0	0	0	0	111.1
495	V	31.1	Very low	33.8	Very low	120 Å²	120	147.2 Å²	147.2	73%	0.727	77%	0.774	S	S	*	*				70.2	118.5	64.1	176.4	0	0	0	0	111.5
496	S	33.3	Very low	33.4	Very low	110 Å²	110	146.1 Å²	146.1	77%	0.769	77%	0.769	S	S	*	*			cis	-146.5	176.3	37.6	-48.1	0	0	0	0	114.7
497	P	52.8	Low	32.7	Very low	115 Å²	115	142.4 Å²	142.4	75%	0.747	76%	0.76	S	S	*	*			trans	-116	-174.6	-170	44.4	-35.1	0	0	0	116.4
498	D	28.6	Very low	32.1	Very low	143 Å²	143	142.4 Å²	142.4	77%	0.765	75%	0.752	S	S	*	*			trans	-172.2	131.2	131.5	-98.8	-17.7	0	0	0	115.5
499	E	33.8	Very low	31.7	Very low	139 Å²	139	142.3 Å²	142.3	65%	0.65	75%	0.746	S	S	*	*			trans	49.5	151.2	134.9	-58.8	-153	148.5	0	0	124
500	K	30.6	Very low	31.1	Very low	141 Å²	141	143.4 Å²	143.4	61%	0.613	74%	0.742	S	S	*	*			cis	-167.1	160.3	-1.7	-122.2	-180	-171.7	134.6	0	113.9
501	N	27.1	Very low	30.7	Very low	136 Å²	136	141.5 Å²	141.5	73%	0.727	74%	0.738	S	S	*	*			trans	62.4	162.8	146.4	-77.3	18.9	0	0	0	120.6
502	N	26.2	Very low	29.9	Very low	131 Å²	131	138.3 Å²	138.3	70%	0.701	73%	0.734	S	S	*	*			cis	157.6	155.2	-14.3	-144.2	50.5	0	0	0	103.8
503	S	27.7	Very low	30.5	Very low	65 Å²	65	133 Å²	133	46%	0.455	72%	0.721	S	S	.	*			cis	-171.9	175.3	-4.4	36.9	0	0	0	0	111.2
504	E	28.2	Very low	29.9	Very low	165 Å²	165	135.4 Å²	135.4	77%	0.771	73%	0.729	S	S	*	*			trans	63.7	168	149.1	-70.1	127.2	-159.4	0	0	120.9
505	E	27	Very low	29.7	Very low	175 Å²	175	134.6 Å²	134.6	82%	0.818	72%	0.723	S	S	*	*				-163.1	-161.5	-56.5	-142.5	-175.9	-153.4	0	0	109.8
506	E	27.6	Very low	29.5	Very low	178 Å²	178	136.2 Å²	136.2	83%	0.832	73%	0.727	S	S	*	*			trans	73.3	162.3	168	-59.6	-163.2	158.8	0	0	120.8
507	V	25.5	Very low	29.2	Very low	117 Å²	117	136 Å²	136	71%	0.709	72%	0.722	S	S	*	*				-175.5	145.9	-63.3	137.2	0	0	0	0	111.5
508	F	24.7	Very low	28	Very low	173 Å²	173	138 Å²	138	76%	0.759	73%	0.725	S	S	*	*			trans	66.1	161.5	165.1	-94.8	-140.7	0	0	0	118.1
509	E	25.7	Very low	27.8	Very low	165 Å²	165	138.9 Å²	138.9	77%	0.771	73%	0.725	S	S	*	*			cis	-148.7	170.9	-9	-149.9	169.8	-175.1	0	0	110.5
510	E	26.1	Very low	27.3	Very low	162 Å²	162	139 Å²	139	76%	0.757	73%	0.729	S	S	*	*			trans	-92	163	172.7	-134.7	-167.4	-135.8	0	0	111.1
511	P	30.1	Very low	27.7	Very low	122 Å²	122	137.7 Å²	137.7	79%	0.792	74%	0.735	S	S	*	*				-154	-176.3	74.5	41.2	-19.9	0	0	0	117
512	S	23.2	Very low	27.6	Very low	94 Å²	94	140.4 Å²	140.4	66%	0.657	74%	0.735	S	S	*	*			trans	-109.6	-164	171.4	61.7	0	0	0	0	110.4
513	P	43.8	Very low	27.8	Very low	104 Å²	104	143.8 Å²	143.8	68%	0.675	75%	0.747	S	S	*	*			cis	-141.2	-149.1	0.5	37.1	-11.9	0	0	0	114.4
514	Q	25.3	Very low	27.8	Very low	177 Å²	177	148.6 Å²	148.6	83%	0.827	76%	0.762	S	S	*	*			trans	88.8	158.5	166.6	-56.2	179.7	10.3	0	0	118.3
515	S	26.1	Very low	27.8	Very low	94 Å²	94	144.6 Å²	144.6	66%	0.657	77%	0.765	S	S	*	*				169.5	112.4	-62.5	53.4	0	0	0	0	111.3
516	D	26.5	Very low	27.9	Very low	154 Å²	154	141.4 Å²	141.4	82%	0.824	77%	0.769	S	S	*	*			trans	177.4	150.5	151.5	-98.4	-30	0	0	0	109.1
517	T	26.3	Very low	27.8	Very low	107 Å²	107	138.4 Å²	138.4	66%	0.656	77%	0.767	S	S	*	*			cis	108.5	147.4	29.5	-58	0	0	0	0	111.3
518	L	27.4	Very low	28.2	Very low	156 Å²	156	138.5 Å²	138.5	82%	0.817	77%	0.77	S	S	*	*			trans	87.5	120.2	-173.3	-52.3	169.3	0	0	0	114
519	Q	25.5	Very low	28.4	Very low	162 Å²	162	138 Å²	138	76%	0.757	77%	0.774	S	S	*	*			cis	94.1	96.3	27.3	-66	-161.4	4.6	0	0	117.6
520	L	23.7	Very low	28.4	Very low	141 Å²	141	137.1 Å²	137.1	74%	0.738	77%	0.773	S	S	*	*			trans	67.7	168.5	134.3	-73	167	0	0	0	118.7
521	P	37.9	Very low	28.5	Very low	114 Å²	114	134.8 Å²	134.8	74%	0.74	77%	0.77	S	S	*	*			cis	-132.4	152.5	9.9	40.5	-23.3	0	0	0	119.5
522	R	26.3	Very low	28.4	Very low	192 Å²	192	136.4 Å²	136.4	73%	0.725	77%	0.77	S	S	*	*			trans	23.2	138.3	140.6	-57.6	-176.1	-178.7	-171.4	3	122.3	E524	R522-E524 IonicContact NH1-OE1 3.59Å
523	Q	29.4	Very low	28.7	Very low	203 Å²	203	138.6 Å²	138.6	95%	0.949	77%	0.774	S	S	*	*				-139.1	163.9	122	-132.9	176.5	8.4	0	0	110.4
524	E	28.1	Very low	28.2	Very low	166 Å²	166	142.1 Å²	142.1	78%	0.776	78%	0.782	S	S	*	*			trans	-115	149	-164.6	-65.3	174.5	169	0	0	113.3	R522	R522-E524 IonicContact NH1-OE1 3.59Å
525	G	27.3	Very low	28.5	Very low	80 Å²	80	140 Å²	140	83%	0.825	78%	0.783	S	S	*	*			trans	-167.2	125.8	170.6	0	0	0	0	0	109.9
526	A	29.1	Very low	28.5	Very low	109 Å²	109	142.8 Å²	142.8	90%	0.901	79%	0.791	S	S	*	*			trans	-108.6	141.2	-162.7	0	0	0	0	0	114.5
527	S	26.2	Very low	28.8	Very low	114 Å²	114	143.3 Å²	143.3	80%	0.797	79%	0.786	S	S	*	*			trans	-149.4	159.2	167.2	54.4	0	0	0	0	109.2
528	P	33.1	Very low	28.8	Very low	120 Å²	120	144.9 Å²	144.9	78%	0.779	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-82.1	164.3	-155.9	31.3	-36.3	0	0	0	115.6	I530	P528-I530 PolarHBondContact O-N 3.43Å
529	I	28.5	Very low	28.9	Very low	161 Å²	161	143.1 Å²	143.1	83%	0.826	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-61.1	123.7	-176.9	-61.3	165.5	0	0	0	111.3
530	I	27.5	Very low	29.2	Very low	148 Å²	148	139.1 Å²	139.1	76%	0.759	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-103.7	116.8	161.7	-62.7	174.8	0	0	0	107.2	P528 I532	P528-I530 PolarHBondContact O-N 3.43Å; I530-I532 PolarHBondContact O-N 3Å
531	T	28.2	Very low	29.5	Very low	113 Å²	113	138 Å²	138	69%	0.693	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-72.3	119.9	170.5	-51.9	0	0	0	0	108.7	N533	T531-N533 PolarHBondContact O-N 3.17Å
532	I	26.8	Very low	29.4	Very low	155 Å²	155	137.7 Å²	137.7	80%	0.795	78%	0.779	S	S	*	*			trans	-78.2	109.6	175	-59.4	170.7	0	0	0	108	I530	I530-I532 PolarHBondContact O-N 3Å
533	N	30	Very low	29.8	Very low	140 Å²	140	130.7 Å²	130.7	75%	0.749	76%	0.759	S	S	*	*			trans	-85.5	150.4	157.1	-76.9	6.7	0	0	0	109	T531	T531-N533 PolarHBondContact O-N 3.17Å
534	E	32.2	Very low	30	Very low	178 Å²	178	134 Å²	134	83%	0.832	76%	0.763	S	S	*	*			trans	-68.8	154.9	178	-63.9	-178.3	123.1	0	0	111.6	D536	E534-D536 PolarHBondContact O-N 3.42Å; E534-D536 VanDerWaalsContact O-N 3.09Å
535	P	31.7	Very low	30.9	Very low	132 Å²	132	129.3 Å²	129.3	86%	0.857	75%	0.749	S	S	*	*			trans	-76	99.7	-178.2	30.3	-34.2	0	0	0	111.5
536	D	27.5	Very low	32.2	Very low	153 Å²	153	125.9 Å²	125.9	82%	0.818	71%	0.713	S	S	*	*			trans	-56.2	148.7	164.9	-95.1	-47.4	0	0	0	111.5	E534 V538	E534-D536 PolarHBondContact O-N 3.42Å; E534-D536 VanDerWaalsContact O-N 3.09Å; D536-V538 PolarHBondContact O-N 3.29Å; D536-V538 VanDerWaalsContact O-N 3.13Å
537	K	32.6	Very low	33.9	Very low	166 Å²	166	123.6 Å²	123.6	72%	0.722	68%	0.681	S	S	*	*			trans	-57.8	117.9	-179.3	-71	-175.2	177	-175.3	0	110.7	V539 M563	K537-V539 PolarHBondContact O-N 3.07Å; K537-V539 VanDerWaalsContact O-N 3.11Å; K537-M563 PolarHBondContact NZ-SD 2.95Å; K537-M563 VanDerWaalsContact NZ-SD 3.43Å
538	V	26.6	Very low	35.9	Very low	140 Å²	140	119.8 Å²	119.8	85%	0.848	65%	0.651	S	S	*	*			trans	-67.2	109.8	171.9	-180	0	0	0	0	108.9	D536	D536-V538 PolarHBondContact O-N 3.29Å; D536-V538 VanDerWaalsContact O-N 3.13Å
539	V	28.4	Very low	38	Very low	118 Å²	118	115.1 Å²	115.1	72%	0.715	62%	0.62	S	S	*	*			trans	-65.9	136.2	169.3	-179.3	0	0	0	0	108.3	K537 S541	K537-V539 PolarHBondContact O-N 3.07Å; K537-V539 VanDerWaalsContact O-N 3.11Å; V539-S541 PolarHBondContact O-N 3.17Å
540	P	31.1	Very low	40.2	Very low	78 Å²	78	107.5 Å²	107.5	51%	0.506	58%	0.581	S	S	.	*			trans	-55	133.3	179.9	20.5	-33	0	0	0	111.3	V542	P540-V542 PolarHBondContact O-N 3.12Å
541	S	30	Very low	42.2	Very low	119 Å²	119	103.6 Å²	103.6	83%	0.832	56%	0.559	S	S	*	*			trans	-73.3	96.6	-170.6	58	0	0	0	0	111.6	V539 S543	V539-S541 PolarHBondContact O-N 3.17Å; S541-S543 PolarHBondContact O-N 3.05Å
542	V	37.2	Very low	44	Very low	107 Å²	107	101.3 Å²	101.3	65%	0.648	55%	0.547	S	S	*	.			trans	-50.8	134.9	165.7	-178	0	0	0	0	109	P540 G546	P540-V542 PolarHBondContact O-N 3.12Å; V542-G546 WeakPolarHBondContact CG1-O 3.49Å
543	S	33.9	Very low	45.8	Very low	45 Å²	45	94 Å²	94	32%	0.315	51%	0.509	S	S	.	.			trans	-56.5	155.7	-179.6	75.2	0	0	0	0	111.1	S541 S545 G546 R547	S541-S543 PolarHBondContact O-N 3.05Å; S543-S545 PolarHBondContact O-N 3.12Å; S543-S545 PolarHBondContact OG-N 3.5Å; S543-G546 PolarHBondContact O-N 3.47Å; S543-G546 PolarHBondContact OG-N 2.79Å; S543-R547 PolarHBondContact OG-O 3.45Å
544	R	35	Very low	47.4	Very low	271 Å²	271	88.8 Å²	88.8	100%	1.023	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-10.7	172.3	-75.7	-172.1	175.1	-166.6	-0.1	113.5
545	S	45.5	Very low	48.6	Very low	69 Å²	69	85.7 Å²	85.7	48%	0.483	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-3.5	177.6	-169	0	0	0	0	114.5	S543 R547	S543-S545 PolarHBondContact O-N 3.12Å; S543-S545 PolarHBondContact OG-N 3.5Å; S545-R547 PolarHBondContact O-N 3.31Å
546	G	55.4	Low	49.7	Very low	8 Å²	8	81.4 Å²	81.4	8%	0.082	44%	0.44	C	S	.	.	S	Bend	trans	76.7	-37.5	-173.7	0	0	0	0	0	114.2	V542 S543 M548	V542-G546 WeakPolarHBondContact CG1-O 3.49Å; S543-G546 PolarHBondContact O-N 3.47Å; S543-G546 PolarHBondContact OG-N 2.79Å; G546-M548 PolarHBondContact O-N 2.75Å
547	R	63.9	Low	51.1	Low	61 Å²	61	74.9 Å²	74.9	23%	0.23	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-50.4	133.5	174.8	-64.5	-179.2	179.5	-128.4	-13.4	112.7	Y149 D151 S543 S545	Y149-R547 HydrophobicContact CD1-CB 4.24Å; D151-R547 IonicContact OD1-CZ 3.92Å; D151-R547 IonicContact OD1-NH1 3.21Å; D151-R547 PolarHBondContact OD1-NH1 3.38Å; D151-R547 IonicContact OD1-NH2 2.65Å; D151-R547 PolarHBondContact OD1-NH2 2.91Å; S543-R547 PolarHBondContact OG-O 3.45Å; S545-R547 PolarHBondContact O-N 3.31Å
548	M	68	Low	51.9	Low	33 Å²	33	70.2 Å²	70.2	16%	0.163	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-88.7	134	175.4	-172.5	166.1	62.9	0	0	110.7	L150 N290 G546 L553	L150-M548 HydrophobicContact CD1-CE 3.69Å; L150-M548 PolarHBondContact N-O 3.36Å; N290-M548 HydrophobicContact CB-CE 3.66Å; N290-M548 HydrophobicContact CB-SD 4.31Å; N290-M548 VanDerWaalsContact OD1-CB 3.31Å; N290-M548 WeakPolarHBondContact OD1-CB 3.35Å; N290-M548 WeakPolarHBondContact OD1-CE 3.33Å; G546-M548 PolarHBondContact O-N 2.75Å; M548-L553 HydrophobicContact CE-CB 3.94Å; M548-L553 HydrophobicContact CE-CD1 3.65Å; M548-L553 HydrophobicContact CE-CD2 3.98Å; M548-L553 HydrophobicContact CE-CG 4.04Å; M548-L553 HydrophobicContact CG-CB 4.14Å; M548-L553 HydrophobicContact SD-CB 3.95Å; M548-L553 HydrophobicContact SD-CD1 4.09Å
549	N	78.3	Confident	52.9	Low	23 Å²	23	67.8 Å²	67.8	12%	0.123	37%	0.372	C	S	.	.	B	Isolated β-bridge	trans	-84.7	141.9	173	-175.2	-61.5	0	0	0	109.6	V148 Y149 F551 S552 L553	V148-N549 CarbonylContact O-C 3.08Å; V148-N549 WeakPolarHBondContact O-CA 3.47Å; Y149-N549 HydrophobicContact CD1-CB 4.01Å; Y149-N549 HydrophobicContact CE1-CB 3.64Å; Y149-N549 PolarHBondContact OH-ND2 3.19Å; N549-F551 VanDerWaalsContact C-N 3.31Å; N549-F551 PolarHBondContact O-N 2.76Å; N549-F551 WeakPolarHBondContact OD1-CB 3.43Å; N549-F551 PolarHBondContact OD1-N 2.75Å; N549-S552 PolarHBondContact O-N 2.77Å; N549-S552 VanDerWaalsContact O-N 3.1Å; N549-L553 PolarHBondContact O-N 3.3Å
550	L	74.7	Confident	53.8	Low	1 Å²	1	65.7 Å²	65.7	1%	0.005	36%	0.357	C	S	.	.	H	α-helix	trans	-55.4	-41.3	179.3	-179	60.2	0	0	0	113.1	V148 L179 H183 L553 M554	V148-L550 HydrophobicContact CB-CB 3.79Å; V148-L550 HydrophobicContact CB-CD2 3.8Å; V148-L550 HydrophobicContact CB-CG 4.47Å; V148-L550 HydrophobicContact CG1-CB 4.2Å; V148-L550 HydrophobicContact CG1-CD2 3.95Å; V148-L550 HydrophobicContact CG2-CD2 4.07Å; V148-L550 PolarHBondContact O-N 3.32Å; L179-L550 HydrophobicContact CB-CD1 4.1Å; L179-L550 HydrophobicContact CD2-CD1 4.27Å; L179-L550 HydrophobicContact CD2-CD2 4.16Å; H183-L550 HydrophobicContact CB-CD2 4.05Å; H183-L550 HydrophobicContact CB-CG 4.43Å; L550-L553 HydrophobicContact CD1-CD2 4.46Å; L550-L553 WeakPolarHBondContact O-CB 3.3Å; L550-L553 PolarHBondContact O-N 2.66Å; L550-M554 HydrophobicContact CD1-CE 3.6Å; L550-M554 HydrophobicContact CD1-CG 4.42Å; L550-M554 WeakPolarHBondContact O-CG 3.21Å; L550-M554 PolarHBondContact O-N 3.43Å
551	F	68.6	Low	54.3	Low	66 Å²	66	65 Å²	65	29%	0.289	35%	0.349	S	S	.	.	H	α-helix	trans	-66.1	-42.1	176	-71.6	-72.3	0	0	0	111.8	H183 C186 E187 N549 L553 M554 Q555	H183-F551 AromaticContact CD2-CD1 3.8Å; H183-F551 AromaticContact CD2-CE1 3.97Å; H183-F551 AromaticContact NE2-CD1 3.53Å; H183-F551 AromaticContact NE2-CE1 3.85Å; C186-F551 HydrophobicContact CB-CE2 4.08Å; C186-F551 HydrophobicContact CB-CZ 3.53Å; E187-F551 HydrophobicContact CG-CE1 4.19Å; N549-F551 VanDerWaalsContact C-N 3.31Å; N549-F551 PolarHBondContact O-N 2.76Å; N549-F551 WeakPolarHBondContact OD1-CB 3.43Å; N549-F551 PolarHBondContact OD1-N 2.75Å; F551-L553 VanDerWaalsContact C-N 3.29Å; F551-L553 PolarHBondContact O-N 2.92Å; F551-M554 PolarHBondContact O-N 3.35Å; F551-Q555 VanDerWaalsContact O-CB 3.29Å; F551-Q555 WeakPolarHBondContact O-CB 3.43Å; F551-Q555 PolarHBondContact O-N 2.98Å
552	S	66.1	Low	54.8	Low	65 Å²	65	64 Å²	64	46%	0.455	33%	0.334	S	S	.	.	H	α-helix	trans	-66.2	-32	176.2	-52.8	0	0	0	0	112.4	N549 S556	N549-S552 PolarHBondContact O-N 2.77Å; N549-S552 VanDerWaalsContact O-N 3.1Å; S552-S556 WeakPolarHBondContact O-CB 3.44Å; S552-S556 PolarHBondContact O-N 2.82Å
553	L	66	Low	54.7	Low	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-64	-54.8	170.3	168.7	59.6	0	0	0	110.7	L293 V294 M548 N549 L550 F551 Q555 S556 I557	L293-L553 HydrophobicContact CB-CD2 3.76Å; L293-L553 HydrophobicContact CD1-CD2 3.76Å; L293-L553 HydrophobicContact CG-CD2 4.46Å; V294-L553 HydrophobicContact CG2-CD1 3.75Å; M548-L553 HydrophobicContact CE-CB 3.94Å; M548-L553 HydrophobicContact CE-CD1 3.65Å; M548-L553 HydrophobicContact CE-CD2 3.98Å; M548-L553 HydrophobicContact CE-CG 4.04Å; M548-L553 HydrophobicContact CG-CB 4.14Å; M548-L553 HydrophobicContact SD-CB 3.95Å; M548-L553 HydrophobicContact SD-CD1 4.09Å; N549-L553 PolarHBondContact O-N 3.3Å; L550-L553 HydrophobicContact CD1-CD2 4.46Å; L550-L553 WeakPolarHBondContact O-CB 3.3Å; L550-L553 PolarHBondContact O-N 2.66Å; F551-L553 VanDerWaalsContact C-N 3.29Å; F551-L553 PolarHBondContact O-N 2.92Å; L553-Q555 VanDerWaalsContact C-N 3.31Å; L553-Q555 PolarHBondContact O-N 2.9Å; L553-S556 PolarHBondContact O-N 3.15Å; L553-S556 VanDerWaalsContact O-N 3.14Å; L553-I557 HydrophobicContact CD1-CD1 3.44Å; L553-I557 VanDerWaalsContact CD1-CD1 3.44Å; L553-I557 HydrophobicContact CD1-CG1 3.94Å; L553-I557 HydrophobicContact CG-CD1 3.64Å; L553-I557 WeakPolarHBondContact O-CB 3.42Å; L553-I557 WeakPolarHBondContact O-CD1 3.42Å; L553-I557 VanDerWaalsContact O-CG1 3.28Å; L553-I557 WeakPolarHBondContact O-CG1 3.48Å; L553-I557 PolarHBondContact O-N 3.05Å
554	M	61.9	Low	55	Low	31 Å²	31	66.3 Å²	66.3	15%	0.153	34%	0.338	C	S	.	.	H	α-helix	trans	-64.7	-34.5	-178.1	-63.1	-55.5	166.1	0	0	112.7	W176 L550 F551 I557 S558	W176-M554 HydrophobicContact CH2-CE 3.77Å; W176-M554 HydrophobicContact CH2-SD 4.39Å; W176-M554 HydrophobicContact CZ3-CE 3.75Å; L550-M554 HydrophobicContact CD1-CE 3.6Å; L550-M554 HydrophobicContact CD1-CG 4.42Å; L550-M554 WeakPolarHBondContact O-CG 3.21Å; L550-M554 PolarHBondContact O-N 3.43Å; F551-M554 PolarHBondContact O-N 3.35Å; M554-I557 HydrophobicContact SD-CD1 3.75Å; M554-S558 PolarHBondContact O-N 2.86Å; M554-S558 PolarHBondContact O-OG 3.08Å
555	Q	58.5	Low	55.1	Low	114 Å²	114	60.1 Å²	60.1	53%	0.533	33%	0.325	S	S	.	.	H	α-helix	trans	-65.1	-48.2	170	-176.5	174.7	-7	0	0	111.6	F551 L553 I557 S558 E559	F551-Q555 VanDerWaalsContact O-CB 3.29Å; F551-Q555 WeakPolarHBondContact O-CB 3.43Å; F551-Q555 PolarHBondContact O-N 2.98Å; L553-Q555 VanDerWaalsContact C-N 3.31Å; L553-Q555 PolarHBondContact O-N 2.9Å; Q555-I557 VanDerWaalsContact C-N 3.34Å; Q555-I557 PolarHBondContact O-N 2.71Å; Q555-S558 CarbonylContact O-C 3.6Å; Q555-S558 WeakPolarHBondContact O-CA 3.48Å; Q555-S558 WeakPolarHBondContact O-CB 3.46Å; Q555-S558 PolarHBondContact O-N 3.23Å; Q555-E559 HydrophobicContact CG-CG 4.26Å; Q555-E559 WeakPolarHBondContact CG-OE1 3.45Å; Q555-E559 PolarHBondContact NE2-OE1 2.91Å; Q555-E559 WeakPolarHBondContact O-CG 3.28Å; Q555-E559 PolarHBondContact O-N 3.11Å
556	S	55	Low	54.5	Low	41 Å²	41	64 Å²	64	29%	0.287	33%	0.329	S	S	.	.	H	α-helix	trans	-61.2	-39.6	177.4	-176.5	0	0	0	0	112.6	S552 L553 S558 E559 L560	S552-S556 WeakPolarHBondContact O-CB 3.44Å; S552-S556 PolarHBondContact O-N 2.82Å; L553-S556 PolarHBondContact O-N 3.15Å; L553-S556 VanDerWaalsContact O-N 3.14Å; S556-S558 PolarHBondContact O-N 3.46Å; S556-E559 PolarHBondContact O-N 3.21Å; S556-L560 VanDerWaalsContact O-CG 3.29Å; S556-L560 WeakPolarHBondContact O-CG 3.33Å; S556-L560 PolarHBondContact O-N 3.15Å
557	I	56.2	Low	53.3	Low	16 Å²	16	70.8 Å²	70.8	8%	0.082	36%	0.358	C	S	.	.	H	α-helix	trans	-58.9	-30.9	171.6	-72.1	157.1	0	0	0	111.7	A297 K301 L553 M554 Q555	A297-I557 HydrophobicContact CB-CD1 3.28Å; A297-I557 HydrophobicContact CB-CG1 3.77Å; A297-I557 HydrophobicContact CB-CG2 4.14Å; K301-I557 VanDerWaalsContact CE-CG2 3.48Å; K301-I557 PolarHBondContact NZ-O 3.39Å; L553-I557 HydrophobicContact CD1-CD1 3.44Å; L553-I557 VanDerWaalsContact CD1-CD1 3.44Å; L553-I557 HydrophobicContact CD1-CG1 3.94Å; L553-I557 HydrophobicContact CG-CD1 3.64Å; L553-I557 WeakPolarHBondContact O-CB 3.42Å; L553-I557 WeakPolarHBondContact O-CD1 3.42Å; L553-I557 VanDerWaalsContact O-CG1 3.28Å; L553-I557 WeakPolarHBondContact O-CG1 3.48Å; L553-I557 PolarHBondContact O-N 3.05Å; M554-I557 HydrophobicContact SD-CD1 3.75Å; Q555-I557 VanDerWaalsContact C-N 3.34Å; Q555-I557 PolarHBondContact O-N 2.71Å
558	S	49.1	Very low	51.8	Low	69 Å²	69	76.4 Å²	76.4	48%	0.483	39%	0.387	S	S	.	.	H	α-helix	trans	-86.7	-36.8	179.1	-54.5	0	0	0	0	112.6	M554 Q555 S556 L560 D561	M554-S558 PolarHBondContact O-N 2.86Å; M554-S558 PolarHBondContact O-OG 3.08Å; Q555-S558 CarbonylContact O-C 3.6Å; Q555-S558 WeakPolarHBondContact O-CA 3.48Å; Q555-S558 WeakPolarHBondContact O-CB 3.46Å; Q555-S558 PolarHBondContact O-N 3.23Å; S556-S558 PolarHBondContact O-N 3.46Å; S558-L560 VanDerWaalsContact C-N 3.32Å; S558-L560 PolarHBondContact O-N 3.44Å; S558-D561 WeakPolarHBondContact O-CB 3.32Å; S558-D561 PolarHBondContact O-N 3.1Å
559	E	47.5	Very low	50.2	Low	88 Å²	88	80.5 Å²	80.5	41%	0.411	42%	0.416	S	S	.	.	H	α-helix	trans	-72.3	-24.3	178.5	-72.1	179.5	-177.7	0	0	113.1	Q555 S556 D562	Q555-E559 HydrophobicContact CG-CG 4.26Å; Q555-E559 WeakPolarHBondContact CG-OE1 3.45Å; Q555-E559 PolarHBondContact NE2-OE1 2.91Å; Q555-E559 WeakPolarHBondContact O-CG 3.28Å; Q555-E559 PolarHBondContact O-N 3.11Å; S556-E559 PolarHBondContact O-N 3.21Å; E559-D562 WeakPolarHBondContact O-CB 3.3Å; E559-D562 PolarHBondContact O-N 3.07Å
560	L	48.2	Very low	47.9	Very low	75 Å²	75	87.2 Å²	87.2	39%	0.393	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-36.9	170.9	-76	168.3	0	0	0	112.6	S556 S558 D562 M563 D564	S556-L560 VanDerWaalsContact O-CG 3.29Å; S556-L560 WeakPolarHBondContact O-CG 3.33Å; S556-L560 PolarHBondContact O-N 3.15Å; S558-L560 VanDerWaalsContact C-N 3.32Å; S558-L560 PolarHBondContact O-N 3.44Å; L560-D562 PolarHBondContact O-N 3.09Å; L560-M563 PolarHBondContact O-N 3.07Å; L560-D564 PolarHBondContact O-N 3.21Å
561	D	42.1	Very low	45.8	Very low	64 Å²	64	93.5 Å²	93.5	34%	0.342	49%	0.492	S	S	.	.	H	α-helix	trans	-59.1	-34.6	176.4	-60.1	-26.1	0	0	0	111.2	K301 S558 M563 N565	K301-D561 IonicContact NZ-OD1 2.83Å; K301-D561 PolarHBondContact NZ-OD1 2.97Å; K301-D561 IonicContact NZ-OD2 2.8Å; K301-D561 PolarHBondContact NZ-OD2 2.89Å; S558-D561 WeakPolarHBondContact O-CB 3.32Å; S558-D561 PolarHBondContact O-N 3.1Å; D561-M563 PolarHBondContact O-N 3.14Å; D561-N565 WeakPolarHBondContact O-CB 3.41Å; D561-N565 PolarHBondContact O-N 3.2Å; D561-N565 PolarHBondContact O-ND2 2.94Å
562	D	39.3	Very low	43.9	Very low	96 Å²	96	93.5 Å²	93.5	51%	0.513	51%	0.511	S	S	.	.	H	α-helix	trans	-73.4	-12.6	-179.6	-131.4	46	0	0	0	112.3	E559 L560 R566	E559-D562 WeakPolarHBondContact O-CB 3.3Å; E559-D562 PolarHBondContact O-N 3.07Å; L560-D562 PolarHBondContact O-N 3.09Å; D562-R566 PolarHBondContact O-NE 3.18Å; D562-R566 PolarHBondContact O-NH2 3.02Å; D562-R566 IonicContact OD2-CZ 3.86Å; D562-R566 IonicContact OD2-NH2 2.85Å; D562-R566 PolarHBondContact OD2-NH2 3.03Å
563	M	35.4	Very low	42.1	Very low	73 Å²	73	96.1 Å²	96.1	36%	0.36	53%	0.529	S	S	.	.	H	α-helix	trans	-99.3	-40.9	177.4	-65	-67.9	159.9	0	0	112.2	K537 L560 D561 N565 R566	K537-M563 PolarHBondContact NZ-SD 2.95Å; K537-M563 VanDerWaalsContact NZ-SD 3.43Å; L560-M563 PolarHBondContact O-N 3.07Å; D561-M563 PolarHBondContact O-N 3.14Å; M563-N565 VanDerWaalsContact C-N 3.32Å; M563-N565 PolarHBondContact O-N 3.18Å; M563-R566 WeakPolarHBondContact O-CB 3.28Å; M563-R566 PolarHBondContact O-N 2.72Å
564	D	40.2	Very low	40.7	Very low	128 Å²	128	102.1 Å²	102.1	68%	0.684	57%	0.568	S	S	*	*	H	α-helix	trans	-64.5	-37.1	174.4	-82.7	-19.2	0	0	0	111.6	L560 R566 H567	L560-D564 PolarHBondContact O-N 3.21Å; D564-R566 PolarHBondContact O-N 3.14Å; D564-H567 PolarHBondContact O-N 2.81Å; D564-H567 VanDerWaalsContact O-N 3.15Å
565	N	37.9	Very low	39.2	Very low	141 Å²	141	112.3 Å²	112.3	75%	0.754	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	-5.6	170.8	-78.1	-62	0	0	0	114.5	D561 M563	D561-N565 WeakPolarHBondContact O-CB 3.41Å; D561-N565 PolarHBondContact O-N 3.2Å; D561-N565 PolarHBondContact O-ND2 2.94Å; M563-N565 VanDerWaalsContact C-N 3.32Å; M563-N565 PolarHBondContact O-N 3.18Å
566	R	31.4	Very low	37.9	Very low	152 Å²	152	118.7 Å²	118.7	57%	0.574	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.2	5	175.1	-84.2	-177.3	-83.3	-140.1	-15.3	114	D562 M563 D564 E568	D562-R566 PolarHBondContact O-NE 3.18Å; D562-R566 PolarHBondContact O-NH2 3.02Å; D562-R566 IonicContact OD2-CZ 3.86Å; D562-R566 IonicContact OD2-NH2 2.85Å; D562-R566 PolarHBondContact OD2-NH2 3.03Å; M563-R566 WeakPolarHBondContact O-CB 3.28Å; M563-R566 PolarHBondContact O-N 2.72Å; D564-R566 PolarHBondContact O-N 3.14Å; R566-E568 PolarHBondContact O-N 2.68Å
567	H	31.7	Very low	36.6	Very low	149 Å²	149	121.8 Å²	121.8	69%	0.69	65%	0.645	S	S	*	*			trans	-95	67	176.5	-79.6	-61.1	0	0	0	113.6	D564	D564-H567 PolarHBondContact O-N 2.81Å; D564-H567 VanDerWaalsContact O-N 3.15Å
568	E	32.2	Very low	35.4	Very low	179 Å²	179	127.3 Å²	127.3	84%	0.836	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-65.7	144.9	158.6	-87.2	-143.5	135.3	0	0	111	R566	R566-E568 PolarHBondContact O-N 2.68Å
569	P	33.3	Very low	34.4	Very low	120 Å²	120	133.4 Å²	133.4	78%	0.779	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-68.1	132.2	177.4	-19.1	32.4	0	0	0	113.1
570	L	30.6	Very low	33.7	Very low	164 Å²	164	138.8 Å²	138.8	86%	0.859	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-63.2	138.7	173.8	-72.3	168.1	0	0	0	111.6	G572	L570-G572 PolarHBondContact O-N 2.79Å
571	P	31.8	Very low	32.9	Very low	133 Å²	133	146.2 Å²	146.2	86%	0.864	75%	0.748	S	S	*	*			trans	-73.9	114.3	-168.4	27.6	-35.2	0	0	0	113.4
572	G	28.8	Very low	32.3	Very low	66 Å²	66	154.9 Å²	154.9	68%	0.68	78%	0.776	S	S	*	*			trans	-128.9	29	-160.9	0	0	0	0	0	119.1	L570	L570-G572 PolarHBondContact O-N 2.79Å
573	S	26.3	Very low	31.9	Very low	120 Å²	120	161.7 Å²	161.7	84%	0.839	80%	0.795	S	S	*	*			trans	70.4	167.9	171.5	85.1	0	0	0	0	117.1
574	P	36.5	Very low	31.5	Very low	125 Å²	125	163.6 Å²	163.6	81%	0.812	82%	0.815	S	S	*	*			cis	-118.6	-177.6	-5.2	41.2	-27.7	0	0	0	114.7
575	R	32.2	Very low	31	Very low	245 Å²	245	166.5 Å²	166.5	93%	0.925	82%	0.824	S	S	*	*			trans	-89.9	140.4	-170	-63.3	173.4	174.3	169.2	-2.7	115.5
576	R	29.7	Very low	30.4	Very low	249 Å²	249	163.3 Å²	163.3	94%	0.94	83%	0.825	S	S	*	*			trans	-147.4	160.6	145.4	-70.3	-174.3	176.6	-175.6	-0.5	108.4
577	S	27.6	Very low	30.4	Very low	105 Å²	105	167.6 Å²	167.6	73%	0.734	84%	0.841	S	S	*	*				-135.2	158.2	-60.3	71	0	0	0	0	108.3	K579	S577-K579 PolarHBondContact O-N 2.72Å
578	P	31	Very low	30.4	Very low	132 Å²	132	171.5 Å²	171.5	86%	0.857	85%	0.85	S	S	*	*			trans	-95.2	96.6	-158.9	34.6	-34.1	0	0	0	114.7
579	K	29	Very low	30.1	Very low	198 Å²	198	166.8 Å²	166.8	86%	0.861	85%	0.849	S	S	*	*			trans	-150.4	37.1	174.7	-133	-176.7	-174.6	-173	0	120.5	S577	S577-K579 PolarHBondContact O-N 2.72Å
580	Q	32.9	Very low	29.9	Very low	201 Å²	201	168 Å²	168	94%	0.939	85%	0.848	S	S	*	*			trans	-151.2	115.7	153.9	-108.3	154.3	-3.9	0	0	110.1
581	R	30.6	Very low	29.8	Very low	231 Å²	231	166.3 Å²	166.3	87%	0.872	85%	0.845	S	S	*	*			trans	-153.8	85.4	-174	-169.6	-175.5	-179.4	-157.9	-0.6	113
582	R	30.6	Very low	29.6	Very low	246 Å²	246	168 Å²	168	93%	0.928	84%	0.841	S	S	*	*			trans	-179.4	136.7	165.6	-99.9	159.7	-178.5	-153.8	-1.1	105
583	R	29.4	Very low	29.6	Very low	238 Å²	238	172.1 Å²	172.1	90%	0.898	84%	0.843	S	S	*	*	S	Bend	cis	-126.5	171.9	4.1	-54.9	168.2	172.6	152.3	-5.4	107.5
584	S	28.3	Very low	29.7	Very low	113 Å²	113	175.3 Å²	175.3	79%	0.79	84%	0.841	S	S	*	*			cis	-157	159.9	-8	16.3	0	0	0	0	107.8
585	H	28.4	Very low	29.3	Very low	189 Å²	189	173.4 Å²	173.4	88%	0.875	84%	0.836	S	S	*	*			trans	-82.1	135.3	174.9	-82.3	-46.2	0	0	0	112.5
586	G	26.5	Very low	29.1	Very low	75 Å²	75	167.2 Å²	167.2	77%	0.773	83%	0.829	S	S	*	*			trans	-132.1	134	153.5	0	0	0	0	0	108.1
587	R	31	Very low	29	Very low	241 Å²	241	161.6 Å²	161.6	91%	0.909	82%	0.822	S	S	*	*			trans	-104.8	136.6	-170.7	-112.2	-174.9	176.8	-170.3	-0.8	112.4
588	R	31.3	Very low	28.9	Very low	231 Å²	231	163.1 Å²	163.1	87%	0.872	82%	0.822	S	S	*	*			trans	-10.7	134.6	150	-59.1	175.9	175.8	-172.3	-4.2	116.7
589	G	27.2	Very low	28.8	Very low	80 Å²	80	163 Å²	163	83%	0.825	82%	0.818	S	S	*	*			trans	-117.6	144.7	148.3	0	0	0	0	0	109.6
590	L	29.2	Very low	28.9	Very low	146 Å²	146	158.6 Å²	158.6	76%	0.764	81%	0.813	S	S	*	*			trans	-159.5	112.6	-169.7	-153.4	175.9	0	0	0	111.2
591	T	28.7	Very low	29	Very low	129 Å²	129	155 Å²	155	79%	0.791	81%	0.807	S	S	*	*			trans	178.8	142.4	158.5	43.5	0	0	0	0	107.1
592	H	27.1	Very low	28.9	Very low	168 Å²	168	152.7 Å²	152.7	78%	0.778	81%	0.806	S	S	*	*				52.1	139.7	64.2	-83.5	-40.8	0	0	0	113.4
593	Q	29.1	Very low	29.7	Very low	152 Å²	152	146.4 Å²	146.4	71%	0.71	80%	0.797	S	S	*	*			cis	-158	169.6	22.3	-132.8	175.3	45.1	0	0	112.5
594	K	27	Very low	29.6	Very low	188 Å²	188	146.6 Å²	146.6	82%	0.817	80%	0.798	S	S	*	*			trans	9.6	152.5	139.8	-72.3	-179.1	178.8	-176.3	0	120.6
595	A	29.5	Very low	29.7	Very low	84 Å²	84	146.4 Å²	146.4	69%	0.694	80%	0.797	S	S	*	*			cis	-176.2	-164.7	-4.3	0	0	0	0	0	111.7
596	C	27.4	Very low	30	Very low	116 Å²	116	145.3 Å²	145.3	78%	0.784	80%	0.796	S	S	*	*			trans	92.5	134.9	168.3	-56.1	0	0	0	0	115.8
597	V	26.5	Very low	30.6	Very low	131 Å²	131	147.9 Å²	147.9	79%	0.794	80%	0.799	S	S	*	*			cis	73.9	128.5	38.7	-177.7	0	0	0	0	111.9
598	D	26	Very low	30.5	Very low	137 Å²	137	143.3 Å²	143.3	73%	0.733	79%	0.793	S	S	*	*			cis	-111.8	-133.3	2.7	-151.3	-12	0	0	0	111.2
599	V	29.1	Very low	30.5	Very low	128 Å²	128	138 Å²	138	78%	0.776	79%	0.791	S	S	*	*			cis	-151.2	143.7	5.5	-149	0	0	0	0	110.6
600	S	32	Very low	30.6	Very low	107 Å²	107	137.2 Å²	137.2	75%	0.748	78%	0.783	S	S	*	*			trans	-95.9	158.2	172.5	-63.8	0	0	0	0	114.3
601	P	34.3	Very low	30.8	Very low	124 Å²	124	139 Å²	139	81%	0.805	79%	0.787	S	S	*	*			trans	-133.8	123.5	153.6	35.1	-20	0	0	0	114.8
602	E	29.3	Very low	30.8	Very low	184 Å²	184	138.3 Å²	138.3	86%	0.86	79%	0.787	S	S	*	*			trans	-92.6	-163	157.2	-61.7	-165.9	125.4	0	0	110.7
603	P	46.3	Very low	31.2	Very low	114 Å²	114	138.8 Å²	138.8	74%	0.74	79%	0.787	S	S	*	*				-118.9	164.6	-91.5	36.4	-21.1	0	0	0	112.6
604	R	28.4	Very low	31.4	Very low	241 Å²	241	138.8 Å²	138.8	91%	0.909	79%	0.787	S	S	*	*			trans	-138	104	172.6	-73.3	-165.9	174.6	-176.7	-0.9	115.2
605	S	29.3	Very low	31.7	Very low	110 Å²	110	137.6 Å²	137.6	77%	0.769	78%	0.784	S	S	*	*			trans	17	132.3	135.3	59	0	0	0	0	120.7
606	L	34.6	Very low	31.8	Very low	165 Å²	165	138.7 Å²	138.7	86%	0.864	79%	0.786	S	S	*	*			trans	-51	164.7	160.5	-63.1	163.8	0	0	0	114.2
607	P	39.5	Very low	32	Very low	129 Å²	129	141.4 Å²	141.4	84%	0.838	79%	0.787	S	S	*	*				-123.9	171.7	118.1	37	-33.5	0	0	0	114.4
608	D	29.8	Very low	32.4	Very low	146 Å²	146	144.7 Å²	144.7	78%	0.781	79%	0.794	S	S	*	*			trans	-104.5	148.1	-165.7	168.8	44	0	0	0	114.3
609	S	30.7	Very low	32.6	Very low	120 Å²	120	141.9 Å²	141.9	84%	0.839	80%	0.797	S	S	*	*			trans	161.7	138.5	144.3	42.3	0	0	0	0	112.2
610	G	28.9	Very low	33	Very low	62 Å²	62	145 Å²	145	64%	0.639	80%	0.803	S	S	*	*			cis	174.3	152.1	-13.8	0	0	0	0	0	115.7
611	Q	32.6	Very low	33	Very low	184 Å²	184	148.4 Å²	148.4	86%	0.86	81%	0.807	S	S	*	*			trans	66	109.1	151	-53.5	-171.2	19.3	0	0	123.5
612	S	30.5	Very low	33	Very low	114 Å²	114	149.3 Å²	149.3	80%	0.797	80%	0.804	S	S	*	*				-178.7	119.7	120.3	29	0	0	0	0	108.5
613	K	35.2	Very low	33.2	Very low	179 Å²	179	145.7 Å²	145.7	78%	0.778	80%	0.799	S	S	*	*				56.7	112.8	63.4	-69	-168.9	174.1	-178.1	0	112.1
614	H	31.8	Very low	32.5	Very low	152 Å²	152	149 Å²	149	70%	0.704	81%	0.805	S	S	*	*				-144.6	148.1	52.5	-89.2	-96.1	0	0	0	111.8
615	Q	34.9	Very low	32.8	Very low	163 Å²	163	141.6 Å²	141.6	76%	0.762	80%	0.795	S	S	*	*				60.5	139.9	82.2	-90.4	-179.6	-18.5	0	0	115.2
616	C	30.3	Very low	33.1	Very low	106 Å²	106	145.3 Å²	145.3	72%	0.716	80%	0.8	S	S	*	*			cis	-164.6	-174.2	-5.3	-154.3	0	0	0	0	111.8
617	E	32	Very low	33.5	Very low	174 Å²	174	145.9 Å²	145.9	81%	0.813	80%	0.795	S	S	*	*			trans	77	126	166.4	-61.5	169.4	173.5	0	0	116
618	Q	34.1	Very low	33.5	Very low	200 Å²	200	150.3 Å²	150.3	94%	0.935	80%	0.795	S	S	*	*			cis	83.6	127.4	39.2	-70.6	-162.3	-20.1	0	0	115.5
619	G	30.3	Very low	34.1	Very low	77 Å²	77	149.7 Å²	149.7	79%	0.794	79%	0.792	S	S	*	*			trans	168.1	115	175.9	0	0	0	0	0	110.9
620	E	37.8	Very low	34.8	Very low	193 Å²	193	153.6 Å²	153.6	90%	0.902	79%	0.789	S	S	*	*			trans	-104.3	-163.1	173.5	-67.2	-173	100.8	0	0	110.6
621	E	32.3	Very low	35.6	Very low	180 Å²	180	156.1 Å²	156.1	84%	0.841	79%	0.788	S	S	*	*			trans	75.3	154.1	174.5	-57.9	-159	116.1	0	0	117
622	L	34.5	Very low	36.3	Very low	143 Å²	143	160.4 Å²	160.4	75%	0.749	81%	0.808	S	S	*	*			cis	-177.3	172.7	-44.2	-114.5	170.4	0	0	0	106.7
623	S	32.8	Very low	36.6	Very low	108 Å²	108	162.8 Å²	162.8	76%	0.755	81%	0.808	S	S	*	*			trans	65.1	171.1	171.9	81.6	0	0	0	0	115.6
624	E	33.2	Very low	36.7	Very low	183 Å²	183	161.9 Å²	161.9	86%	0.855	81%	0.81	S	S	*	*				-170.8	168.7	-60.6	-115.4	-166.1	116.4	0	0	106.2
625	A	34.1	Very low	37	Very low	86 Å²	86	162.4 Å²	162.4	71%	0.711	82%	0.816	S	S	*	*			trans	64.6	159.6	164.9	0	0	0	0	0	117
626	H	35	Very low	37.1	Very low	188 Å²	188	162.4 Å²	162.4	87%	0.87	82%	0.819	S	S	*	*			cis	-136.6	-177.7	-8.1	-138.6	64.8	0	0	0	111.5
627	K	43	Very low	37.5	Very low	176 Å²	176	165.9 Å²	165.9	77%	0.765	83%	0.825	S	S	*	*			trans	-136.8	150.4	-170.4	-162.2	172.8	-170.5	170.4	0	109.5
628	R	38.8	Very low	37.9	Very low	222 Å²	222	165.4 Å²	165.4	84%	0.838	83%	0.826	S	S	*	*			trans	74.7	160.6	-177.8	-41.5	170.6	-166.4	179.7	4.4	113.1
629	D	43	Very low	38.2	Very low	134 Å²	134	162.9 Å²	162.9	72%	0.717	82%	0.818	S	S	*	*			cis	-117.7	160.5	-0.4	-83.6	-66.6	0	0	0	109.8
630	R	46.1	Very low	38.8	Very low	201 Å²	201	169.5 Å²	169.5	76%	0.758	82%	0.82	S	S	*	*			cis	94.2	131.7	37	-136.7	-165.9	-164.3	-108.4	6.6	113.6
631	D	45.7	Very low	38.8	Very low	116 Å²	116	167.6 Å²	167.6	62%	0.62	81%	0.813	S	S	*	*			trans	61.6	80.4	159.6	-53.2	-29.5	0	0	0	120.6
632	Q	47.7	Very low	39.4	Very low	274 Å²	274	166.5 Å²	166.5	100%	1.28	81%	0.811	S	S	*	*				-158.3	0	125.7	-126.6	153.3	107	0	0	113.1

Retrieved 632 of 632 residues in 310.8 ms (Link to these results)

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