A0A3Q0KSY7_SCHMA Loading...

Transmembrane protein

AlphaFold DB , UniProt , Accession A0A3Q0KSY7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 564 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.5	Very low	36.1	Very low	249 Å²	249	175 Å²	175	100%	1.227	85%	0.845	S	S	*	*				0	58.6	0	-85.4	178.2	161.6	0	0	110.2
2	K	30.5	Very low	35.9	Very low	199 Å²	199	173.9 Å²	173.9	87%	0.865	85%	0.845	S	S	*	*			trans	-120.8	13.1	-167.2	-110.2	-179.1	178.8	-179.3	0	114.1
3	D	40.7	Very low	35.7	Very low	155 Å²	155	175.7 Å²	175.7	83%	0.829	85%	0.846	S	S	*	*			trans	-140.3	48.3	-172.5	-73.1	-47.4	0	0	0	115.4
4	I	41.4	Very low	35.2	Very low	148 Å²	148	179.8 Å²	179.8	76%	0.759	85%	0.848	S	S	*	*	S	Bend	trans	-122.8	-10	174.4	-64.3	-179.2	0	0	0	115.5
5	L	42.8	Very low	34.9	Very low	175 Å²	175	181.4 Å²	181.4	92%	0.916	85%	0.851	S	S	*	*	S	Bend	trans	-118.7	37.9	-176.2	-66.2	173	0	0	0	114.8
6	R	33.9	Very low	34.7	Very low	251 Å²	251	181.1 Å²	181.1	95%	0.947	85%	0.854	S	S	*	*			trans	-119.4	55	163.8	-143.5	-176.9	-162.4	-171.6	5	110.4
7	T	35.2	Very low	34.2	Very low	121 Å²	121	184.6 Å²	184.6	74%	0.742	86%	0.857	S	S	*	*			trans	-123.3	87.7	172.5	36.4	0	0	0	0	110.8
8	S	32.4	Very low	34.4	Very low	96 Å²	96	180.3 Å²	180.3	67%	0.671	85%	0.849	S	S	*	*			trans	25	108	138.8	-130	0	0	0	0	117.8	S10	S8-S10 PolarHBondContact O-N 3.36Å
9	Y	34	Very low	34.1	Very low	227 Å²	227	176.7 Å²	176.7	89%	0.89	85%	0.845	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.2	31.1	168.6	-106.6	-96.2	0	0	0	114.4
10	S	38.8	Very low	33.7	Very low	83 Å²	83	173.5 Å²	173.5	58%	0.58	84%	0.842	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	-1.8	179.7	58.9	0	0	0	0	114.2	S8	S8-S10 PolarHBondContact O-N 3.36Å
11	Y	33.2	Very low	33.7	Very low	221 Å²	221	172.5 Å²	172.5	87%	0.867	84%	0.839	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-11.7	-175.7	-115.6	-90.4	0	0	0	115.9	K13	Y11-K13 VanDerWaalsContact C-N 3.34Å; Y11-K13 PolarHBondContact O-N 2.87Å
12	L	33.6	Very low	33.3	Very low	162 Å²	162	165.1 Å²	165.1	85%	0.848	81%	0.812	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	19.6	178	-78.8	169.1	0	0	0	114.4
13	K	32.6	Very low	33.1	Very low	197 Å²	197	165.4 Å²	165.4	86%	0.857	81%	0.814	S	S	*	*			trans	-100	26.6	177.6	-144.3	-179.7	-175.3	179.1	0	115	Y11	Y11-K13 VanDerWaalsContact C-N 3.34Å; Y11-K13 PolarHBondContact O-N 2.87Å
14	R	30	Very low	32.5	Very low	233 Å²	233	166.6 Å²	166.6	88%	0.879	81%	0.812	S	S	*	*	S	Bend	trans	-140.3	129.5	172.4	-100.3	-179.9	-172.6	166.2	2.9	113.2
15	K	29.8	Very low	32.1	Very low	204 Å²	204	165.2 Å²	165.2	89%	0.887	81%	0.813	S	S	*	*			trans	77.1	68.8	167.4	-68.9	-174.4	171.9	-177.6	0	117.5
16	I	32.1	Very low	31.6	Very low	176 Å²	176	166.4 Å²	166.4	90%	0.903	81%	0.81	S	S	*	*				-138.3	100.3	125.5	-54.8	-178.1	0	0	0	107
17	R	26.5	Very low	31.4	Very low	241 Å²	241	159.2 Å²	159.2	91%	0.909	80%	0.797	S	S	*	*			trans	-89.8	160.1	164.8	-109.9	-158.1	-178.7	174.2	0.5	108.3
18	P	38	Very low	31.3	Very low	108 Å²	108	159.9 Å²	159.9	70%	0.701	80%	0.801	S	S	*	*			trans	-109.6	143.2	-133.8	37	-27.8	0	0	0	113.1
19	S	28.9	Very low	31.4	Very low	111 Å²	111	161.2 Å²	161.2	78%	0.776	80%	0.799	S	S	*	*			trans	-84.3	105.4	150.7	44.5	0	0	0	0	107.7	I21	S19-I21 PolarHBondContact O-N 3.12Å; S19-I21 VanDerWaalsContact O-N 3.12Å
20	S	26.2	Very low	31.3	Very low	113 Å²	113	160 Å²	160	79%	0.79	80%	0.798	S	S	*	*			trans	-62.1	102	170	48.5	0	0	0	0	110.1
21	I	32	Very low	31	Very low	152 Å²	152	160.3 Å²	160.3	78%	0.779	80%	0.801	S	S	*	*			trans	-104.7	106.3	158.3	-62.1	174.2	0	0	0	105.8	S19	S19-I21 PolarHBondContact O-N 3.12Å; S19-I21 VanDerWaalsContact O-N 3.12Å
22	S	27.8	Very low	31.6	Very low	95 Å²	95	152.8 Å²	152.8	66%	0.664	78%	0.778	S	S	*	*			trans	-55.9	130.4	-175.8	46.7	0	0	0	0	112.3	F24	S22-F24 PolarHBondContact O-N 2.99Å
23	F	25.9	Very low	31.9	Very low	204 Å²	204	147.3 Å²	147.3	90%	0.895	75%	0.747	S	S	*	*			trans	-49.3	122.4	163	-82.4	-102.1	0	0	0	111.4
24	F	28.4	Very low	32	Very low	180 Å²	180	147.5 Å²	147.5	79%	0.789	74%	0.743	S	S	*	*			trans	-106.2	136.9	142.4	-83.2	-81.8	0	0	0	107.7	S22 K26	S22-F24 PolarHBondContact O-N 2.99Å; F24-K26 PolarHBondContact O-N 2.96Å
25	P	32.3	Very low	32	Very low	119 Å²	119	143.8 Å²	143.8	77%	0.773	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-74.6	117.9	-174.1	30.7	-30.9	0	0	0	109.3
26	K	31.3	Very low	32.6	Very low	200 Å²	200	135.9 Å²	135.9	87%	0.87	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-72.3	140	167.9	-84.2	-178.8	175.7	178.7	0	109.6	F24	F24-K26 PolarHBondContact O-N 2.96Å
27	P	31.4	Very low	32.8	Very low	101 Å²	101	139 Å²	139	66%	0.656	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-66.6	146.6	-171	28.5	-34	0	0	0	111.1	I29	P27-I29 VanDerWaalsContact C-N 3.28Å; P27-I29 PolarHBondContact O-N 3.47Å
28	T	32.2	Very low	33.9	Very low	135 Å²	135	131.2 Å²	131.2	83%	0.828	68%	0.683	S	S	*	*			trans	-58.6	74.8	-179.7	22.3	0	0	0	0	113
29	I	33.9	Very low	34.1	Very low	123 Å²	123	126.2 Å²	126.2	63%	0.631	65%	0.65	S	S	*	*			trans	-91	-1.5	168.4	-63.5	172.2	0	0	0	111.1	P27 S31 V32	P27-I29 VanDerWaalsContact C-N 3.28Å; P27-I29 PolarHBondContact O-N 3.47Å; I29-S31 PolarHBondContact O-N 3.21Å; I29-V32 HydrophobicContact CG2-CG2 4.08Å; I29-V32 WeakPolarHBondContact O-CG2 3.33Å
30	F	31.7	Very low	35.1	Very low	201 Å²	201	127 Å²	127	88%	0.882	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	-0	-177.7	-85.3	-77.2	0	0	0	116.1	V32	F30-V32 VanDerWaalsContact C-N 3.33Å
31	S	32.9	Very low	36.2	Very low	90 Å²	90	124.4 Å²	124.4	63%	0.629	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	7.2	173.9	60.3	0	0	0	0	114	I29 F33	I29-S31 PolarHBondContact O-N 3.21Å; S31-F33 PolarHBondContact O-N 3.13Å; S31-F33 VanDerWaalsContact O-N 3.11Å
32	V	45.4	Very low	37	Very low	63 Å²	63	121.3 Å²	121.3	38%	0.382	61%	0.612	S	S	.	*	S	Bend	trans	-59.1	-27.2	-170.7	167.8	0	0	0	0	113.9	I29 F30	I29-V32 HydrophobicContact CG2-CG2 4.08Å; I29-V32 WeakPolarHBondContact O-CG2 3.33Å; F30-V32 VanDerWaalsContact C-N 3.33Å
33	F	40.2	Very low	38.3	Very low	48 Å²	48	122 Å²	122	21%	0.211	61%	0.608	C	S	.	*	S	Bend	trans	-116.8	109	172.2	-60.1	-79.3	0	0	0	108.4	S31 K35 L105	S31-F33 PolarHBondContact O-N 3.13Å; S31-F33 VanDerWaalsContact O-N 3.11Å; F33-K35 PolarHBondContact O-N 2.93Å; F33-L105 HydrophobicContact CE2-CD2 3.81Å; F33-L105 HydrophobicContact CZ-CD1 4.06Å; F33-L105 HydrophobicContact CZ-CD2 3.51Å; F33-L105 HydrophobicContact CZ-CG 4.36Å
34	R	35.9	Very low	39.7	Very low	201 Å²	201	113.9 Å²	113.9	76%	0.758	58%	0.577	S	S	*	*			trans	-50.8	115.5	162.3	-171.8	-179.5	-170.7	177.8	3.8	105.2	S36	R34-S36 PolarHBondContact O-N 2.99Å
35	K	30.2	Very low	40.9	Very low	155 Å²	155	105.5 Å²	105.5	67%	0.674	54%	0.54	S	S	*	.			trans	-44.3	114.1	-179.9	-69.8	-179.2	178.6	-177	0	107.3	F33 R37	F33-K35 PolarHBondContact O-N 2.93Å; K35-R37 PolarHBondContact O-N 2.71Å; K35-R37 VanDerWaalsContact O-N 3.16Å
36	S	40.6	Very low	42	Very low	38 Å²	38	104.7 Å²	104.7	27%	0.266	52%	0.521	S	S	.	.			trans	-54.3	126.3	162.4	62.7	0	0	0	0	104.8	R34 V38 D151	R34-S36 PolarHBondContact O-N 2.99Å; S36-V38 PolarHBondContact O-N 3Å; S36-D151 WeakPolarHBondContact CB-OD1 3.18Å; S36-D151 PolarHBondContact OG-OD1 3.3Å
37	R	38.1	Very low	43.2	Very low	240 Å²	240	98.5 Å²	98.5	91%	0.906	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	13.5	-174.5	-113.4	-175.8	-175.4	-179.1	1.1	113.2	K35	K35-R37 PolarHBondContact O-N 2.71Å; K35-R37 VanDerWaalsContact O-N 3.16Å
38	V	49.4	Very low	44.5	Very low	78 Å²	78	94.1 Å²	94.1	47%	0.473	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-11.7	-161.7	-175.4	0	0	0	0	112.1	S36 P49	S36-V38 PolarHBondContact O-N 3Å; V38-P49 HydrophobicContact CG1-CB 4.16Å; V38-P49 HydrophobicContact CG1-CG 4.28Å
39	V	40.9	Very low	45.8	Very low	4 Å²	4	89.6 Å²	89.6	2%	0.024	44%	0.442	C	S	.	.			trans	-142.1	82.8	-167.2	-164.6	0	0	0	0	113.3	I45 R147	V39-I45 HydrophobicContact CB-CG1 4.48Å; V39-I45 HydrophobicContact CG1-CB 4.39Å; V39-I45 HydrophobicContact CG1-CD1 3.33Å; V39-I45 HydrophobicContact CG1-CG1 2.98Å; V39-R147 VanDerWaalsContact O-CZ 3.27Å; V39-R147 PolarHBondContact O-NH1 3.01Å; V39-R147 PolarHBondContact O-NH2 2.69Å
40	D	50.1	Low	46.6	Very low	128 Å²	128	86.7 Å²	86.7	68%	0.684	44%	0.437	S	S	*	.			trans	-109.1	-18.4	176	-72.7	-28.3	0	0	0	113.8
41	S	48.8	Very low	47.3	Very low	57 Å²	57	83.2 Å²	83.2	40%	0.399	43%	0.432	S	S	.	.	S	Bend	trans	-121.5	150.7	-175.6	72	0	0	0	0	113.4	D43 S44 I45	S41-D43 PolarHBondContact O-N 3.41Å; S41-S44 WeakPolarHBondContact CA-OG 3.34Å; S41-S44 PolarHBondContact N-OG 3.05Å; S41-S44 PolarHBondContact O-N 3.44Å; S41-S44 VanDerWaalsContact O-N 3.14Å; S41-S44 PolarHBondContact O-OG 3.27Å; S41-S44 VanDerWaalsContact OG-CB 3.26Å; S41-S44 WeakPolarHBondContact OG-CB 3.3Å; S41-S44 PolarHBondContact OG-N 2.72Å; S41-S44 VanDerWaalsContact OG-N 3.15Å; S41-S44 PolarHBondContact OG-OG 3.35Å; S41-I45 PolarHBondContact O-N 3.24Å; S41-I45 VanDerWaalsContact O-N 3.15Å
42	L	50.6	Low	48	Very low	87 Å²	87	83.1 Å²	83.1	46%	0.455	43%	0.428	S	S	.	.	H	α-helix	trans	-62.3	-33.5	178.6	-153.1	128.6	0	0	0	111.8	I45 R46 F143	L42-I45 PolarHBondContact O-N 3.17Å; L42-R46 VanDerWaalsContact CD2-NE 3.32Å; L42-R46 WeakPolarHBondContact O-CG 3.46Å; L42-R46 PolarHBondContact O-N 3.42Å; L42-F143 HydrophobicContact CB-CE2 4.42Å; L42-F143 HydrophobicContact CD1-CD2 4.08Å; L42-F143 HydrophobicContact CD1-CE2 3.91Å; L42-F143 HydrophobicContact CG-CD2 4.23Å; L42-F143 HydrophobicContact CG-CE2 4.03Å
43	D	55	Low	48.3	Very low	111 Å²	111	88.4 Å²	88.4	59%	0.594	45%	0.448	S	S	*	.	H	α-helix	trans	-69.3	-37.9	174.7	-63.2	-33	0	0	0	112.2	S41 I45 R46 N47	S41-D43 PolarHBondContact O-N 3.41Å; D43-I45 PolarHBondContact O-N 2.9Å; D43-R46 PolarHBondContact O-N 3.41Å; D43-N47 WeakPolarHBondContact O-CB 3.38Å; D43-N47 PolarHBondContact O-N 2.68Å
44	S	54.2	Low	48.9	Very low	32 Å²	32	87.6 Å²	87.6	22%	0.224	45%	0.445	C	S	.	.	H	α-helix	trans	-70.3	-12.4	172	62.5	0	0	0	0	114.1	S41 N47 R193	S41-S44 WeakPolarHBondContact CA-OG 3.34Å; S41-S44 PolarHBondContact N-OG 3.05Å; S41-S44 PolarHBondContact O-N 3.44Å; S41-S44 VanDerWaalsContact O-N 3.14Å; S41-S44 PolarHBondContact O-OG 3.27Å; S41-S44 VanDerWaalsContact OG-CB 3.26Å; S41-S44 WeakPolarHBondContact OG-CB 3.3Å; S41-S44 PolarHBondContact OG-N 2.72Å; S41-S44 VanDerWaalsContact OG-N 3.15Å; S41-S44 PolarHBondContact OG-OG 3.35Å; S44-N47 CarbonylContact C-O 3.39Å; S44-R193 PolarHBondContact O-NH2 2.95Å
45	I	54.7	Low	50	Low	5 Å²	5	80.4 Å²	80.4	3%	0.026	43%	0.428	C	S	.	.	H	α-helix	trans	-91.5	-42.4	172.5	-70.4	170.2	0	0	0	110.7	V39 S41 L42 D43 N47 F143 L146 R193	V39-I45 HydrophobicContact CB-CG1 4.48Å; V39-I45 HydrophobicContact CG1-CB 4.39Å; V39-I45 HydrophobicContact CG1-CD1 3.33Å; V39-I45 HydrophobicContact CG1-CG1 2.98Å; S41-I45 PolarHBondContact O-N 3.24Å; S41-I45 VanDerWaalsContact O-N 3.15Å; L42-I45 PolarHBondContact O-N 3.17Å; D43-I45 PolarHBondContact O-N 2.9Å; I45-N47 VanDerWaalsContact C-N 3.31Å; I45-N47 PolarHBondContact O-N 3.41Å; I45-F143 HydrophobicContact CB-CD2 4.45Å; I45-F143 HydrophobicContact CB-CE2 4.36Å; I45-F143 HydrophobicContact CD1-CD1 4.47Å; I45-F143 HydrophobicContact CD1-CD2 3.61Å; I45-F143 HydrophobicContact CD1-CE1 3.95Å; I45-F143 HydrophobicContact CD1-CE2 3Å; I45-F143 HydrophobicContact CD1-CG 4.32Å; I45-F143 HydrophobicContact CD1-CZ 3.18Å; I45-F143 HydrophobicContact CG1-CE2 4.17Å; I45-F143 HydrophobicContact CG2-CD2 4.2Å; I45-L146 HydrophobicContact CG2-CB 4.13Å; I45-L146 HydrophobicContact CG2-CD1 4.13Å; I45-R193 VanDerWaalsContact CA-NH2 3.26Å; I45-R193 VanDerWaalsContact O-CZ 3.24Å; I45-R193 PolarHBondContact O-NE 3.06Å; I45-R193 PolarHBondContact O-NH2 2.78Å
46	R	54.9	Low	51.5	Low	101 Å²	101	74.5 Å²	74.5	38%	0.381	40%	0.404	S	S	.	.	H	α-helix	trans	-64.8	-39.3	176.5	-71.8	-179.3	176.7	-168.5	0	111.8	L42 D43	L42-R46 VanDerWaalsContact CD2-NE 3.32Å; L42-R46 WeakPolarHBondContact O-CG 3.46Å; L42-R46 PolarHBondContact O-N 3.42Å; D43-R46 PolarHBondContact O-N 3.41Å
47	N	56.1	Low	52.9	Low	71 Å²	71	77.4 Å²	77.4	38%	0.38	41%	0.412	S	S	.	.	S	Bend	trans	-110	139.6	-179.3	-61.8	-47.9	0	0	0	111.4	D43 S44 I45 R193	D43-N47 WeakPolarHBondContact O-CB 3.38Å; D43-N47 PolarHBondContact O-N 2.68Å; S44-N47 CarbonylContact C-O 3.39Å; I45-N47 VanDerWaalsContact C-N 3.31Å; I45-N47 PolarHBondContact O-N 3.41Å; N47-R193 PolarHBondContact O-NH2 3.33Å
48	P	58.5	Low	54.4	Low	8 Å²	8	66.2 Å²	66.2	5%	0.052	37%	0.37	C	S	.	.			trans	-61.1	157.5	173	18.3	-23.7	0	0	0	111.6	E160 Q163	P48-E160 HydrophobicContact CB-CG 4.49Å; P48-Q163 HydrophobicContact CB-CB 4.45Å; P48-Q163 HydrophobicContact CG-CB 3.77Å; P48-Q163 HydrophobicContact CG-CG 4.15Å
49	P	59.4	Low	55.6	Low	40 Å²	40	64 Å²	64	26%	0.26	36%	0.359	S	S	.	.			trans	-59.5	140.1	-175.8	24	-33.5	0	0	0	112.2	V38	V38-P49 HydrophobicContact CG1-CB 4.16Å; V38-P49 HydrophobicContact CG1-CG 4.28Å
50	A	52.2	Low	57.5	Low	62 Å²	62	64.5 Å²	64.5	51%	0.512	36%	0.361	S	S	.	.	S	Bend	trans	-78.9	-23.6	-172.9	0	0	0	0	0	114.4
51	T	45.1	Very low	59.1	Low	128 Å²	128	58.5 Å²	58.5	79%	0.785	33%	0.329	S	S	*	.			trans	-128.6	39.3	-145.8	-29.8	0	0	0	0	117.2
52	T	48.6	Very low	60.6	Low	89 Å²	89	57.5 Å²	57.5	55%	0.546	32%	0.321	S	S	.	.			trans	-126.9	135.8	169.1	47.4	0	0	0	0	112.3	F54 H164	T52-F54 PolarHBondContact O-N 3.35Å; T52-H164 PolarHBondContact O-CE1 3.48Å
53	Q	51.2	Low	62.1	Low	173 Å²	173	54.1 Å²	54.1	81%	0.808	30%	0.304	S	S	*	.			trans	-54.3	112.3	158.9	-75.6	177.3	-15.7	0	0	106.9	A55	Q53-A55 PolarHBondContact O-N 3.13Å
54	F	53.1	Low	63.5	Low	32 Å²	32	52.5 Å²	52.5	14%	0.14	30%	0.298	C	S	.	.			trans	-81.3	99.8	179.2	-179.3	-96	0	0	0	108.6	T52 L56 I159 I161 P162 Q165 I196	T52-F54 PolarHBondContact O-N 3.35Å; F54-L56 HydrophobicContact CE1-CB 4.27Å; F54-I159 HydrophobicContact CD2-CG2 4.22Å; F54-I159 HydrophobicContact CE2-CG2 3.63Å; F54-I159 HydrophobicContact CZ-CG2 4.47Å; F54-I161 HydrophobicContact CE2-CG1 4.26Å; F54-I161 HydrophobicContact CZ-CG1 4.15Å; F54-P162 HydrophobicContact CB-CG 3.95Å; F54-P162 HydrophobicContact CD2-CG 4.13Å; F54-P162 HydrophobicContact CG-CG 4.3Å; F54-Q165 VanDerWaalsContact CB-NE2 3.35Å; F54-I196 HydrophobicContact CE1-CD1 4.4Å; F54-I196 HydrophobicContact CZ-CD1 3.66Å; F54-I196 HydrophobicContact CZ-CG1 4.35Å
55	A	58.5	Low	65	Low	49 Å²	49	52.6 Å²	52.6	41%	0.405	29%	0.293	S	S	.	.			trans	-88	122.9	162	0	0	0	0	0	107.5	Q53 K57	Q53-A55 PolarHBondContact O-N 3.13Å; A55-K57 VanDerWaalsContact C-N 3.32Å; A55-K57 HydrophobicContact CB-CD 4.2Å; A55-K57 HydrophobicContact CB-CG 3.94Å; A55-K57 PolarHBondContact O-N 2.83Å
56	L	62.4	Low	66.5	Low	31 Å²	31	59.3 Å²	59.3	16%	0.162	32%	0.318	C	S	.	.			trans	-69.5	95.9	171.5	-168.1	157.1	0	0	0	107.2	F54 I196 F199 F274 F308	F54-L56 HydrophobicContact CE1-CB 4.27Å; L56-I196 HydrophobicContact CD1-CD1 4.28Å; L56-I196 HydrophobicContact CG-CD1 4.42Å; L56-F199 HydrophobicContact CD1-CD2 4.32Å; L56-F199 HydrophobicContact CD2-CB 3.8Å; L56-F199 HydrophobicContact CD2-CG 4.23Å; L56-F274 HydrophobicContact CD1-CE1 4.01Å; L56-F308 HydrophobicContact CD1-CD1 4.45Å
57	K	68.4	Low	67.9	Low	99 Å²	99	57 Å²	57	43%	0.43	32%	0.316	S	S	.	.			trans	-109.1	137.1	178.4	-65.2	-176.4	173.9	-168.5	0	109.7	A55 A59 I159 D493	A55-K57 VanDerWaalsContact C-N 3.32Å; A55-K57 HydrophobicContact CB-CD 4.2Å; A55-K57 HydrophobicContact CB-CG 3.94Å; A55-K57 PolarHBondContact O-N 2.83Å; K57-A59 PolarHBondContact O-N 2.92Å; K57-A59 VanDerWaalsContact O-N 3.12Å; K57-I159 HydrophobicContact CB-CD1 4.3Å; K57-I159 WeakPolarHBondContact O-CD1 3.47Å; K57-D493 CarbonylContact C-O 3.57Å; K57-D493 WeakPolarHBondContact CA-O 3.42Å; K57-D493 WeakPolarHBondContact CB-O 3.41Å; K57-D493 HydrophobicContact CG-CB 4.35Å
58	N	70.9	Confident	69.5	Low	6 Å²	6	53.7 Å²	53.7	3%	0.032	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-78.8	98.2	171.6	-74.4	-45.6	0	0	0	108.7	Y60 G198 F199 F492 D493 L494 S495	N58-Y60 HydrophobicContact CB-CD1 4.47Å; N58-Y60 HydrophobicContact CB-CE1 4.26Å; N58-Y60 PolarHBondContact O-N 2.88Å; N58-G198 WeakPolarHBondContact OD1-CA 3.45Å; N58-F199 PolarHBondContact OD1-N 3.32Å; N58-F492 WeakPolarHBondContact ND2-CD1 3.49Å; N58-D493 PolarHBondContact N-O 2.77Å; N58-L494 HydrophobicContact CB-CD1 4.23Å; N58-L494 VanDerWaalsContact O-CA 3.31Å; N58-L494 WeakPolarHBondContact O-CA 3.16Å; N58-L494 WeakPolarHBondContact O-CD1 3.25Å; N58-S495 PolarHBondContact O-N 2.94Å
59	A	73.8	Confident	71	Confident	30 Å²	30	53.5 Å²	53.5	25%	0.248	30%	0.297	C	S	.	.			trans	-85.3	15.3	179.5	0	0	0	0	0	113.9	K57	K57-A59 PolarHBondContact O-N 2.92Å; K57-A59 VanDerWaalsContact O-N 3.12Å
60	Y	80.5	Confident	72.3	Confident	16 Å²	16	58.7 Å²	58.7	6%	0.063	31%	0.311	C	S	.	.	S	Bend	trans	-127.7	152.5	-179.1	80.7	-76	0	0	0	111.3	N58 P62 R197 H200 L494	N58-Y60 HydrophobicContact CB-CD1 4.47Å; N58-Y60 HydrophobicContact CB-CE1 4.26Å; N58-Y60 PolarHBondContact O-N 2.88Å; Y60-P62 HydrophobicContact CE2-CB 3.81Å; Y60-P62 VanDerWaalsContact O-CD 3.26Å; Y60-P62 WeakPolarHBondContact O-CD 3.43Å; Y60-R197 HydrophobicContact CD1-CG 3.98Å; Y60-R197 HydrophobicContact CE1-CG 4.36Å; Y60-R197 HydrophobicContact CG-CG 4.32Å; Y60-H200 PolarHBondContact OH-CE1 2.78Å; Y60-H200 VanDerWaalsContact OH-CE1 3.31Å; Y60-H200 PolarHBondContact OH-NE2 3.22Å; Y60-L494 WeakPolarHBondContact O-CD1 3.47Å
61	I	83.6	Confident	74	Confident	1 Å²	1	58 Å²	58	1%	0.005	30%	0.297	C	S	.	.			trans	-84.2	114.6	178.2	-60.4	166.3	0	0	0	108.1	L63 L68 K423 A424 L427 I455 F496	I61-L63 HydrophobicContact CG2-CB 3.92Å; I61-L63 HydrophobicContact CG2-CD1 4.25Å; I61-L63 HydrophobicContact CG2-CG 4.13Å; I61-L63 PolarHBondContact O-N 3.29Å; I61-L68 HydrophobicContact CD1-CD1 4.28Å; I61-L68 HydrophobicContact CG2-CD1 4.03Å; I61-K423 HydrophobicContact CB-CD 4.47Å; I61-K423 HydrophobicContact CD1-CB 3.63Å; I61-K423 HydrophobicContact CG2-CD 4.48Å; I61-K423 PolarHBondContact O-NZ 3.37Å; I61-A424 HydrophobicContact CD1-CB 4.39Å; I61-L427 HydrophobicContact CD1-CD2 4.18Å; I61-I455 HydrophobicContact CB-CD1 4.5Å; I61-I455 HydrophobicContact CD1-CD1 4.43Å; I61-I455 HydrophobicContact CG1-CD1 3.81Å; I61-I455 HydrophobicContact CG2-CD1 4.21Å; I61-F496 HydrophobicContact CD1-CE2 4.1Å
62	P	80.9	Confident	76.1	Confident	36 Å²	36	51.9 Å²	51.9	23%	0.234	26%	0.26	C	S	.	.			trans	-80.4	40.2	-179.7	34.8	-34.8	0	0	0	112.4	Y60 L459	Y60-P62 HydrophobicContact CE2-CB 3.81Å; Y60-P62 VanDerWaalsContact O-CD 3.26Å; Y60-P62 WeakPolarHBondContact O-CD 3.43Å; P62-L459 HydrophobicContact CB-CD2 4.39Å; P62-L459 HydrophobicContact CG-CD1 3.56Å; P62-L459 HydrophobicContact CG-CD2 3.76Å; P62-L459 HydrophobicContact CG-CG 4.25Å
63	L	82.8	Confident	78	Confident	17 Å²	17	48.7 Å²	48.7	9%	0.089	24%	0.239	C	C	.	.	S	Bend	trans	-120.6	146.2	172	-62.4	174.8	0	0	0	109	I61 T67 L68 K423 W454 L459	I61-L63 HydrophobicContact CG2-CB 3.92Å; I61-L63 HydrophobicContact CG2-CD1 4.25Å; I61-L63 HydrophobicContact CG2-CG 4.13Å; I61-L63 PolarHBondContact O-N 3.29Å; L63-T67 HydrophobicContact CD2-CG2 4.02Å; L63-L68 HydrophobicContact CB-CB 4.36Å; L63-K423 WeakPolarHBondContact O-CD 3.48Å; L63-K423 PolarHBondContact O-NZ 3.21Å; L63-W454 HydrophobicContact CD1-CH2 4.45Å; L63-W454 HydrophobicContact CD1-CZ3 3.99Å; L63-L459 HydrophobicContact CD2-CD2 3.9Å; L63-L459 HydrophobicContact CG-CD2 4.48Å
64	T	84	Confident	79.7	Confident	77 Å²	77	45.3 Å²	45.3	47%	0.472	22%	0.223	S	C	.	.			trans	-70.4	156.6	168.7	74.5	0	0	0	0	109.9	R66 T67 L68	T64-R66 PolarHBondContact O-N 3.12Å; T64-T67 PolarHBondContact O-N 3.13Å; T64-T67 WeakPolarHBondContact OG1-CB 3.26Å; T64-T67 PolarHBondContact OG1-N 2.91Å; T64-T67 PolarHBondContact OG1-OG1 3.14Å; T64-L68 WeakPolarHBondContact O-CB 3.48Å; T64-L68 PolarHBondContact O-N 3.1Å
65	R	85.7	Confident	81.2	Confident	33 Å²	33	44.9 Å²	44.9	13%	0.125	22%	0.222	C	C	.	.	H	α-helix	trans	-51.2	-44.5	173	-64.8	-169	-67.4	172.5	1.2	111.7	L68 V69 D95 E419 F422 K423 L544	R65-L68 PolarHBondContact O-N 3.42Å; R65-V69 VanDerWaalsContact O-CG2 3.31Å; R65-V69 WeakPolarHBondContact O-CG2 3.18Å; R65-V69 PolarHBondContact O-N 2.96Å; R65-D95 IonicContact NH1-OD1 2.81Å; R65-D95 PolarHBondContact NH1-OD1 3.12Å; R65-D95 IonicContact NH1-OD2 3.67Å; R65-E419 HydrophobicContact CG-CG 3.52Å; R65-F422 HydrophobicContact CB-CD1 4.48Å; R65-F422 HydrophobicContact CB-CE1 4.25Å; R65-F422 HydrophobicContact CG-CD1 3.91Å; R65-F422 HydrophobicContact CG-CE1 4.18Å; R65-K423 HydrophobicContact CG-CG 4.29Å; R65-L544 PolarHBondContact NH2-O 3.36Å
66	R	85.2	Confident	82.3	Confident	147 Å²	147	45.9 Å²	45.9	56%	0.555	23%	0.226	S	C	*	.	H	α-helix	trans	-63	-47.9	179.5	-178.5	177.9	178.3	168.7	1.5	112.1	T64 L68 R70	T64-R66 PolarHBondContact O-N 3.12Å; R66-L68 VanDerWaalsContact C-N 3.34Å; R66-R70 VanDerWaalsContact O-CB 3.29Å; R66-R70 WeakPolarHBondContact O-CB 3.46Å; R66-R70 PolarHBondContact O-N 3.31Å
67	T	86.1	Confident	83.2	Confident	53 Å²	53	52.2 Å²	52.2	33%	0.325	25%	0.248	S	C	.	.	H	α-helix	trans	-61.6	-46.3	178.4	-52.1	0	0	0	0	110	L63 T64 V69 R70 E71	L63-T67 HydrophobicContact CD2-CG2 4.02Å; T64-T67 PolarHBondContact O-N 3.13Å; T64-T67 WeakPolarHBondContact OG1-CB 3.26Å; T64-T67 PolarHBondContact OG1-N 2.91Å; T64-T67 PolarHBondContact OG1-OG1 3.14Å; T67-V69 PolarHBondContact O-N 3.22Å; T67-R70 PolarHBondContact O-N 3.38Å; T67-E71 HydrophobicContact CG2-CG 4.08Å; T67-E71 WeakPolarHBondContact O-CB 3.4Å; T67-E71 VanDerWaalsContact O-CG 3.26Å; T67-E71 WeakPolarHBondContact O-CG 3.49Å; T67-E71 PolarHBondContact O-N 2.89Å
68	L	89.3	Confident	83.9	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.1	-48.3	-179.6	-176.9	145.6	0	0	0	112.4	I61 L63 T64 R65 R66 R70 E71 L72 K423 L426	I61-L68 HydrophobicContact CD1-CD1 4.28Å; I61-L68 HydrophobicContact CG2-CD1 4.03Å; L63-L68 HydrophobicContact CB-CB 4.36Å; T64-L68 WeakPolarHBondContact O-CB 3.48Å; T64-L68 PolarHBondContact O-N 3.1Å; R65-L68 PolarHBondContact O-N 3.42Å; R66-L68 VanDerWaalsContact C-N 3.34Å; L68-R70 VanDerWaalsContact C-N 3.32Å; L68-R70 PolarHBondContact O-N 3.17Å; L68-E71 PolarHBondContact O-N 3.27Å; L68-L72 HydrophobicContact CD2-CD1 3.5Å; L68-L72 HydrophobicContact CD2-CG 4.36Å; L68-L72 HydrophobicContact CG-CD1 4.16Å; L68-L72 WeakPolarHBondContact O-CB 3.32Å; L68-L72 VanDerWaalsContact O-CG 3.28Å; L68-L72 WeakPolarHBondContact O-CG 3.38Å; L68-L72 PolarHBondContact O-N 2.74Å; L68-K423 HydrophobicContact CD1-CB 3.87Å; L68-K423 HydrophobicContact CD1-CD 4.38Å; L68-K423 HydrophobicContact CD1-CG 4.02Å; L68-L426 HydrophobicContact CD2-CB 4.38Å; L68-L426 HydrophobicContact CD2-CD2 3.75Å; L68-L426 HydrophobicContact CD2-CG 4.26Å
69	V	88.4	Confident	84.5	Confident	5 Å²	5	47.4 Å²	47.4	3%	0.03	23%	0.227	C	C	.	.	H	α-helix	trans	-61	-43.4	177.5	173.1	0	0	0	0	110.8	R65 T67 L72 L73 F422 L426	R65-V69 VanDerWaalsContact O-CG2 3.31Å; R65-V69 WeakPolarHBondContact O-CG2 3.18Å; R65-V69 PolarHBondContact O-N 2.96Å; T67-V69 PolarHBondContact O-N 3.22Å; V69-L72 PolarHBondContact O-N 2.92Å; V69-L73 HydrophobicContact CG1-CD1 3.83Å; V69-L73 HydrophobicContact CG1-CG 4.41Å; V69-L73 WeakPolarHBondContact O-CB 3.25Å; V69-L73 VanDerWaalsContact O-CG 3.27Å; V69-L73 WeakPolarHBondContact O-CG 3.49Å; V69-L73 PolarHBondContact O-N 2.97Å; V69-F422 HydrophobicContact CG2-CE1 4.48Å; V69-L426 HydrophobicContact CG2-CD2 3.7Å
70	R	88	Confident	85.1	Confident	149 Å²	149	49.3 Å²	49.3	56%	0.562	23%	0.233	S	C	*	.	H	α-helix	trans	-62.1	-49.6	178.6	-179	-176.8	178.4	178.1	1.6	111.9	R66 T67 L68 L72 L73 Q74	R66-R70 VanDerWaalsContact O-CB 3.29Å; R66-R70 WeakPolarHBondContact O-CB 3.46Å; R66-R70 PolarHBondContact O-N 3.31Å; T67-R70 PolarHBondContact O-N 3.38Å; L68-R70 VanDerWaalsContact C-N 3.32Å; L68-R70 PolarHBondContact O-N 3.17Å; R70-L72 VanDerWaalsContact C-N 3.34Å; R70-L72 PolarHBondContact O-N 3.49Å; R70-L73 PolarHBondContact O-N 2.93Å; R70-Q74 HydrophobicContact CG-CG 4.47Å; R70-Q74 WeakPolarHBondContact O-CB 3.47Å; R70-Q74 VanDerWaalsContact O-CG 3.26Å; R70-Q74 WeakPolarHBondContact O-CG 3.41Å; R70-Q74 PolarHBondContact O-N 3.32Å
71	E	87.9	Confident	85.3	Confident	47 Å²	47	52.4 Å²	52.4	22%	0.22	26%	0.255	C	S	.	.	H	α-helix	trans	-63.3	-40	-179.6	-67.8	-60	134.9	0	0	111.2	T67 L68 Q74 D75 W454 H458	T67-E71 HydrophobicContact CG2-CG 4.08Å; T67-E71 WeakPolarHBondContact O-CB 3.4Å; T67-E71 VanDerWaalsContact O-CG 3.26Å; T67-E71 WeakPolarHBondContact O-CG 3.49Å; T67-E71 PolarHBondContact O-N 2.89Å; L68-E71 PolarHBondContact O-N 3.27Å; E71-Q74 PolarHBondContact O-N 3.17Å; E71-D75 WeakPolarHBondContact O-CB 3.36Å; E71-D75 PolarHBondContact O-N 3.42Å; E71-W454 HydrophobicContact CB-CH2 3.92Å; E71-W454 HydrophobicContact CB-CZ2 4.04Å; E71-H458 IonicContact OE2-CE1 3.37Å; E71-H458 PolarHBondContact OE2-CE1 3.49Å; E71-H458 IonicContact OE2-CG 3.98Å; E71-H458 IonicContact OE2-ND1 2.79Å; E71-H458 PolarHBondContact OE2-ND1 3.25Å
72	L	89.7	Confident	85.4	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-65.2	-39.3	175.6	-72.6	177.1	0	0	0	113	L68 V69 R70 Q74 T78 F87 L426 L427 A430 W454	L68-L72 HydrophobicContact CD2-CD1 3.5Å; L68-L72 HydrophobicContact CD2-CG 4.36Å; L68-L72 HydrophobicContact CG-CD1 4.16Å; L68-L72 WeakPolarHBondContact O-CB 3.32Å; L68-L72 VanDerWaalsContact O-CG 3.28Å; L68-L72 WeakPolarHBondContact O-CG 3.38Å; L68-L72 PolarHBondContact O-N 2.74Å; V69-L72 PolarHBondContact O-N 2.92Å; R70-L72 VanDerWaalsContact C-N 3.34Å; R70-L72 PolarHBondContact O-N 3.49Å; L72-Q74 VanDerWaalsContact C-N 3.33Å; L72-T78 PolarHBondContact O-OG1 3.42Å; L72-F87 HydrophobicContact CB-CE1 4.42Å; L72-F87 HydrophobicContact CD1-CZ 4.16Å; L72-L426 HydrophobicContact CD1-CD2 4.35Å; L72-L426 HydrophobicContact CD1-CG 4.13Å; L72-L427 HydrophobicContact CD2-CD1 4.05Å; L72-A430 HydrophobicContact CD1-CB 4.02Å; L72-A430 HydrophobicContact CD2-CB 3.78Å; L72-A430 HydrophobicContact CG-CB 4.45Å; L72-W454 HydrophobicContact CD2-CH2 3.88Å; L72-W454 HydrophobicContact CD2-CZ2 3.52Å; L72-W454 HydrophobicContact CG-CH2 4.05Å; L72-W454 HydrophobicContact CG-CZ2 4.04Å
73	L	87.6	Confident	85.7	Confident	21 Å²	21	56.5 Å²	56.5	11%	0.11	28%	0.281	C	S	.	.	H	α-helix	trans	-70.8	-30.9	176.5	-71.5	171.9	0	0	0	112.4	V69 R70 R84 F87 E88	V69-L73 HydrophobicContact CG1-CD1 3.83Å; V69-L73 HydrophobicContact CG1-CG 4.41Å; V69-L73 WeakPolarHBondContact O-CB 3.25Å; V69-L73 VanDerWaalsContact O-CG 3.27Å; V69-L73 WeakPolarHBondContact O-CG 3.49Å; V69-L73 PolarHBondContact O-N 2.97Å; R70-L73 PolarHBondContact O-N 2.93Å; L73-R84 HydrophobicContact CD2-CB 3.99Å; L73-R84 HydrophobicContact CD2-CG 3.93Å; L73-R84 VanDerWaalsContact O-CZ 3.24Å; L73-R84 PolarHBondContact O-NE 3.32Å; L73-R84 PolarHBondContact O-NH2 3.23Å; L73-F87 HydrophobicContact CD2-CD1 3.82Å; L73-F87 HydrophobicContact CD2-CE1 4.48Å; L73-E88 HydrophobicContact CD1-CG 4.01Å; L73-E88 WeakPolarHBondContact CD1-OE1 3.47Å; L73-E88 HydrophobicContact CD2-CG 4.22Å
74	Q	87.5	Confident	85.9	Confident	103 Å²	103	60 Å²	60	48%	0.481	29%	0.293	S	S	.	.	H	α-helix	trans	-77.2	-35.2	177.2	-73.8	-178.4	-8.5	0	0	112.4	R70 E71 L72 S76	R70-Q74 HydrophobicContact CG-CG 4.47Å; R70-Q74 WeakPolarHBondContact O-CB 3.47Å; R70-Q74 VanDerWaalsContact O-CG 3.26Å; R70-Q74 WeakPolarHBondContact O-CG 3.41Å; R70-Q74 PolarHBondContact O-N 3.32Å; E71-Q74 PolarHBondContact O-N 3.17Å; L72-Q74 VanDerWaalsContact C-N 3.33Å; Q74-S76 PolarHBondContact O-N 3.42Å
75	D	84.1	Confident	86	Confident	23 Å²	23	64.2 Å²	64.2	12%	0.123	31%	0.305	C	S	.	.			trans	-73	95.4	179.5	-170.3	5.4	0	0	0	111.5	E71 R77 T78 V79 W454	E71-D75 WeakPolarHBondContact O-CB 3.36Å; E71-D75 PolarHBondContact O-N 3.42Å; D75-R77 PolarHBondContact O-N 3.03Å; D75-R77 VanDerWaalsContact OD1-CB 3.3Å; D75-R77 WeakPolarHBondContact OD1-CB 3.31Å; D75-R77 WeakPolarHBondContact OD1-CG 3.28Å; D75-R77 PolarHBondContact OD1-N 3.16Å; D75-T78 PolarHBondContact O-N 2.96Å; D75-T78 VanDerWaalsContact O-N 3.09Å; D75-T78 PolarHBondContact O-OG1 2.64Å; D75-T78 VanDerWaalsContact O-OG1 3.11Å; D75-V79 PolarHBondContact O-N 3.14Å; D75-W454 PolarHBondContact OD2-NE1 3.48Å; D75-W454 VanDerWaalsContact OD2-NE1 3.09Å
76	S	82	Confident	86.1	Confident	69 Å²	69	63.3 Å²	63.3	48%	0.483	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-13.5	179.1	62.6	0	0	0	0	113.6	Q74 R434	Q74-S76 PolarHBondContact O-N 3.42Å; S76-R434 VanDerWaalsContact O-CZ 3.32Å; S76-R434 PolarHBondContact O-NH1 3.22Å; S76-R434 PolarHBondContact O-NH2 2.95Å
77	R	81.8	Confident	86.2	Confident	165 Å²	165	56.3 Å²	56.3	62%	0.623	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-26.2	176.7	-59.2	179.2	179.1	-172.3	-2.2	113	D75 R434	D75-R77 PolarHBondContact O-N 3.03Å; D75-R77 VanDerWaalsContact OD1-CB 3.3Å; D75-R77 WeakPolarHBondContact OD1-CB 3.31Å; D75-R77 WeakPolarHBondContact OD1-CG 3.28Å; D75-R77 PolarHBondContact OD1-N 3.16Å; R77-R434 VanDerWaalsContact C-NH1 3.3Å; R77-R434 PolarHBondContact O-NH1 3.37Å
78	T	82.8	Confident	86.4	Confident	4 Å²	4	55.9 Å²	55.9	3%	0.025	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-52.5	-179.7	58.9	0	0	0	0	111.2	L72 D75 L431 R434	L72-T78 PolarHBondContact O-OG1 3.42Å; D75-T78 PolarHBondContact O-N 2.96Å; D75-T78 VanDerWaalsContact O-N 3.09Å; D75-T78 PolarHBondContact O-OG1 2.64Å; D75-T78 VanDerWaalsContact O-OG1 3.11Å; T78-L431 HydrophobicContact CG2-CD2 4.12Å; T78-R434 PolarHBondContact O-NE 3.49Å; T78-R434 PolarHBondContact O-NH2 3.37Å
79	V	83.4	Confident	86.2	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.286	C	S	.	.	S	Bend	trans	-118.3	129.3	-176.5	-176.7	0	0	0	0	111.4	D75 E83 R84 F87 R434	D75-V79 PolarHBondContact O-N 3.14Å; V79-E83 HydrophobicContact CG1-CB 4.35Å; V79-R84 HydrophobicContact CG1-CG 4.26Å; V79-F87 HydrophobicContact CG1-CB 4.08Å; V79-F87 HydrophobicContact CG1-CG 4.16Å; V79-F87 HydrophobicContact CG2-CD1 4.35Å; V79-F87 HydrophobicContact CG2-CD2 3.96Å; V79-F87 HydrophobicContact CG2-CE1 4.35Å; V79-F87 HydrophobicContact CG2-CE2 3.96Å; V79-F87 HydrophobicContact CG2-CG 4.15Å; V79-F87 HydrophobicContact CG2-CZ 4.16Å; V79-R434 PolarHBondContact O-NH2 3.37Å
80	L	85	Confident	86.2	Confident	69 Å²	69	59 Å²	59	36%	0.361	29%	0.285	S	S	.	.			trans	-77.1	148.4	-177	-77.3	175.6	0	0	0	108.6	S82 E83 R84 R434	L80-S82 PolarHBondContact O-N 3.16Å; L80-S82 VanDerWaalsContact O-N 3.11Å; L80-E83 HydrophobicContact CB-CB 4.36Å; L80-E83 HydrophobicContact CB-CG 4.09Å; L80-E83 PolarHBondContact N-OE2 3.09Å; L80-E83 PolarHBondContact O-N 3.43Å; L80-R84 PolarHBondContact O-N 3.3Å; L80-R434 VanDerWaalsContact CA-NH2 3.27Å
81	P	85	Confident	86.2	Confident	82 Å²	82	51.9 Å²	51.9	53%	0.532	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-31.9	175.9	-27.1	35.5	0	0	0	114.1
82	S	86.7	Confident	86.2	Confident	91 Å²	91	49.8 Å²	49.8	64%	0.636	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-34.6	175.8	48.9	0	0	0	0	113.4	L80	L80-S82 PolarHBondContact O-N 3.16Å; L80-S82 VanDerWaalsContact O-N 3.11Å
83	E	86.2	Confident	86.1	Confident	32 Å²	32	51 Å²	51	15%	0.15	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-9.1	-173	-66.5	174.2	159.2	0	0	113.2	V79 L80 K85 S86 F87 P523	V79-E83 HydrophobicContact CG1-CB 4.35Å; L80-E83 HydrophobicContact CB-CB 4.36Å; L80-E83 HydrophobicContact CB-CG 4.09Å; L80-E83 PolarHBondContact N-OE2 3.09Å; L80-E83 PolarHBondContact O-N 3.43Å; E83-K85 VanDerWaalsContact C-N 3.32Å; E83-K85 PolarHBondContact O-N 3.11Å; E83-S86 PolarHBondContact O-N 3.11Å; E83-S86 VanDerWaalsContact O-N 3.08Å; E83-F87 WeakPolarHBondContact O-CB 3.42Å; E83-F87 PolarHBondContact O-N 2.94Å; E83-P523 HydrophobicContact CB-CG 3.68Å; E83-P523 HydrophobicContact CG-CG 3.72Å
84	R	87.4	Confident	86.1	Confident	89 Å²	89	50 Å²	50	34%	0.336	25%	0.248	S	C	.	.	H	α-helix	trans	-52.5	-45.4	-173.9	-72.6	179.8	174.3	162.2	-1.3	113.3	L73 V79 L80 S86 F87 E88	L73-R84 HydrophobicContact CD2-CB 3.99Å; L73-R84 HydrophobicContact CD2-CG 3.93Å; L73-R84 VanDerWaalsContact O-CZ 3.24Å; L73-R84 PolarHBondContact O-NE 3.32Å; L73-R84 PolarHBondContact O-NH2 3.23Å; V79-R84 HydrophobicContact CG1-CG 4.26Å; L80-R84 PolarHBondContact O-N 3.3Å; R84-S86 PolarHBondContact O-N 3.17Å; R84-F87 PolarHBondContact O-N 2.93Å; R84-E88 VanDerWaalsContact O-CG 3.31Å; R84-E88 WeakPolarHBondContact O-CG 3.46Å; R84-E88 PolarHBondContact O-N 3.08Å
85	K	87.3	Confident	86.2	Confident	167 Å²	167	45.1 Å²	45.1	73%	0.726	23%	0.225	S	C	*	.	H	α-helix	trans	-64.9	-40.6	-179.7	-68.2	-177.2	178.9	178.9	0	112.2	E83 K89	E83-K85 VanDerWaalsContact C-N 3.32Å; E83-K85 PolarHBondContact O-N 3.11Å; K85-K89 WeakPolarHBondContact O-CG 3.41Å; K85-K89 PolarHBondContact O-N 2.97Å
86	S	86.5	Confident	86.3	Confident	14 Å²	14	46.8 Å²	46.8	10%	0.098	23%	0.23	C	C	.	.	H	α-helix	trans	-68.3	-41.1	177.4	-53.7	0	0	0	0	110.5	E83 R84 K89 I90 D524	E83-S86 PolarHBondContact O-N 3.11Å; E83-S86 VanDerWaalsContact O-N 3.08Å; R84-S86 PolarHBondContact O-N 3.17Å; S86-K89 WeakPolarHBondContact O-CB 3.21Å; S86-K89 PolarHBondContact O-N 3.01Å; S86-I90 WeakPolarHBondContact O-CG1 3.46Å; S86-I90 PolarHBondContact O-N 3.01Å; S86-I90 VanDerWaalsContact O-N 3.08Å; S86-D524 VanDerWaalsContact CB-OD1 3.32Å; S86-D524 WeakPolarHBondContact CB-OD1 3.46Å; S86-D524 PolarHBondContact OG-OD1 3.4Å
87	F	88.6	Confident	86.6	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.3	-42.5	175	-174.8	-95.9	0	0	0	112.8	L72 L73 V79 E83 R84 K89 I90 A91 L426 Y429 A430 L433	L72-F87 HydrophobicContact CB-CE1 4.42Å; L72-F87 HydrophobicContact CD1-CZ 4.16Å; L73-F87 HydrophobicContact CD2-CD1 3.82Å; L73-F87 HydrophobicContact CD2-CE1 4.48Å; V79-F87 HydrophobicContact CG1-CB 4.08Å; V79-F87 HydrophobicContact CG1-CG 4.16Å; V79-F87 HydrophobicContact CG2-CD1 4.35Å; V79-F87 HydrophobicContact CG2-CD2 3.96Å; V79-F87 HydrophobicContact CG2-CE1 4.35Å; V79-F87 HydrophobicContact CG2-CE2 3.96Å; V79-F87 HydrophobicContact CG2-CG 4.15Å; V79-F87 HydrophobicContact CG2-CZ 4.16Å; E83-F87 WeakPolarHBondContact O-CB 3.42Å; E83-F87 PolarHBondContact O-N 2.94Å; R84-F87 PolarHBondContact O-N 2.93Å; F87-K89 VanDerWaalsContact C-N 3.35Å; F87-K89 PolarHBondContact O-N 3.31Å; F87-I90 PolarHBondContact O-N 2.92Å; F87-A91 PolarHBondContact O-N 3.45Å; F87-L426 HydrophobicContact CE1-CD1 4.05Å; F87-L426 HydrophobicContact CE1-CG 4.49Å; F87-L426 HydrophobicContact CE2-CD1 4.04Å; F87-L426 HydrophobicContact CZ-CD1 3.5Å; F87-L426 HydrophobicContact CZ-CG 3.96Å; F87-Y429 HydrophobicContact CD2-CD1 4.21Å; F87-Y429 HydrophobicContact CD2-CE1 4.07Å; F87-Y429 AromaticContact CE2-CD1 3.85Å; F87-Y429 HydrophobicContact CE2-CD1 3.85Å; F87-Y429 HydrophobicContact CE2-CE1 4.18Å; F87-A430 HydrophobicContact CE2-CB 3.99Å; F87-A430 HydrophobicContact CZ-CB 4.02Å; F87-L433 HydrophobicContact CD2-CD1 4.11Å; F87-L433 HydrophobicContact CE2-CD1 4.34Å
88	E	88.4	Confident	86.9	Confident	43 Å²	43	39.7 Å²	39.7	20%	0.201	20%	0.195	C	C	.	.	H	α-helix	trans	-60.6	-42	174.9	-74	173.2	-175.7	0	0	112.1	L73 R84 I90 A91 V92 L541	L73-E88 HydrophobicContact CD1-CG 4.01Å; L73-E88 WeakPolarHBondContact CD1-OE1 3.47Å; L73-E88 HydrophobicContact CD2-CG 4.22Å; R84-E88 VanDerWaalsContact O-CG 3.31Å; R84-E88 WeakPolarHBondContact O-CG 3.46Å; R84-E88 PolarHBondContact O-N 3.08Å; E88-I90 VanDerWaalsContact C-N 3.33Å; E88-I90 PolarHBondContact O-N 3.25Å; E88-A91 PolarHBondContact O-N 3.48Å; E88-V92 WeakPolarHBondContact O-CG2 3.25Å; E88-V92 PolarHBondContact O-N 3.28Å; E88-L541 HydrophobicContact CB-CD2 4.21Å; E88-L541 HydrophobicContact CG-CD1 4.38Å; E88-L541 HydrophobicContact CG-CD2 4.04Å
89	K	86.7	Confident	87.2	Confident	71 Å²	71	40.7 Å²	40.7	31%	0.309	20%	0.199	S	C	.	.	H	α-helix	trans	-60.8	-42	174.4	-70.8	176	-179	-179	0	112	K85 S86 F87 V92 F93 L535	K85-K89 WeakPolarHBondContact O-CG 3.41Å; K85-K89 PolarHBondContact O-N 2.97Å; S86-K89 WeakPolarHBondContact O-CB 3.21Å; S86-K89 PolarHBondContact O-N 3.01Å; F87-K89 VanDerWaalsContact C-N 3.35Å; F87-K89 PolarHBondContact O-N 3.31Å; K89-V92 PolarHBondContact O-N 2.84Å; K89-F93 WeakPolarHBondContact O-CB 3.32Å; K89-F93 PolarHBondContact O-N 2.95Å; K89-L535 HydrophobicContact CB-CD2 4.41Å
90	I	87.8	Confident	87.4	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-64.3	-42.3	177.1	-67.6	165.6	0	0	0	110.6	S86 F87 E88 V92 F93 L94 Y429 L510 P523 A526 I530	S86-I90 WeakPolarHBondContact O-CG1 3.46Å; S86-I90 PolarHBondContact O-N 3.01Å; S86-I90 VanDerWaalsContact O-N 3.08Å; F87-I90 PolarHBondContact O-N 2.92Å; E88-I90 VanDerWaalsContact C-N 3.33Å; E88-I90 PolarHBondContact O-N 3.25Å; I90-V92 PolarHBondContact O-N 3.28Å; I90-F93 PolarHBondContact O-N 2.9Å; I90-L94 VanDerWaalsContact O-CB 3.28Å; I90-L94 WeakPolarHBondContact O-CB 3.42Å; I90-L94 PolarHBondContact O-N 3.39Å; I90-Y429 HydrophobicContact CD1-CE1 3.91Å; I90-Y429 WeakPolarHBondContact CD1-OH 3.28Å; I90-Y429 HydrophobicContact CG2-CD1 4.31Å; I90-Y429 HydrophobicContact CG2-CE1 4.01Å; I90-L510 HydrophobicContact CG2-CD1 3.97Å; I90-L510 HydrophobicContact CG2-CD2 4.23Å; I90-P523 HydrophobicContact CD1-CB 3.66Å; I90-A526 HydrophobicContact CD1-CB 3.91Å; I90-A526 HydrophobicContact CG1-CB 4.49Å; I90-I530 HydrophobicContact CG1-CD1 4.04Å
91	A	88.6	Confident	87.5	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-59.5	-46.1	176.4	0	0	0	0	0	111.7	F87 E88 L94 D95 F422 L426 L544	F87-A91 PolarHBondContact O-N 3.45Å; E88-A91 PolarHBondContact O-N 3.48Å; A91-L94 PolarHBondContact O-N 3.06Å; A91-D95 PolarHBondContact O-N 3.42Å; A91-F422 WeakPolarHBondContact O-CE2 3.21Å; A91-L426 HydrophobicContact CB-CD1 3.99Å; A91-L426 HydrophobicContact CB-CD2 4.23Å; A91-L544 HydrophobicContact CB-CD1 4.22Å
92	V	87.3	Confident	87.6	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.012	19%	0.192	C	C	.	.	H	α-helix	trans	-64.5	-41	176.5	174.9	0	0	0	0	111.8	E88 K89 I90 R96 L535 L544	E88-V92 WeakPolarHBondContact O-CG2 3.25Å; E88-V92 PolarHBondContact O-N 3.28Å; K89-V92 PolarHBondContact O-N 2.84Å; I90-V92 PolarHBondContact O-N 3.28Å; V92-R96 WeakPolarHBondContact O-CG 3.37Å; V92-R96 PolarHBondContact O-N 3.06Å; V92-R96 VanDerWaalsContact O-N 3.14Å; V92-L535 HydrophobicContact CB-CD2 4.45Å; V92-L535 HydrophobicContact CG1-CD2 4.24Å; V92-L544 HydrophobicContact CG2-CD1 4.12Å; V92-L544 HydrophobicContact CG2-CG 4.31Å
93	F	87.3	Confident	87.8	Confident	25 Å²	25	39.4 Å²	39.4	11%	0.11	18%	0.18	C	C	.	.	H	α-helix	trans	-63.1	-43.6	176.7	174.1	-104.4	0	0	0	112.3	K89 I90 R96 K97 L508 I530	K89-F93 WeakPolarHBondContact O-CB 3.32Å; K89-F93 PolarHBondContact O-N 2.95Å; I90-F93 PolarHBondContact O-N 2.9Å; F93-R96 PolarHBondContact O-N 2.74Å; F93-K97 HydrophobicContact CD1-CG 4.44Å; F93-K97 HydrophobicContact CD2-CG 4.37Å; F93-K97 HydrophobicContact CE1-CG 4.05Å; F93-K97 HydrophobicContact CE2-CD 4.33Å; F93-K97 HydrophobicContact CE2-CG 3.99Å; F93-K97 HydrophobicContact CZ-CD 4.26Å; F93-K97 VanDerWaalsContact CZ-CE 3.46Å; F93-K97 HydrophobicContact CZ-CG 3.83Å; F93-K97 WeakPolarHBondContact O-CG 3.46Å; F93-K97 PolarHBondContact O-N 3.39Å; F93-L508 HydrophobicContact CE1-CD2 4.44Å; F93-I530 HydrophobicContact CB-CD1 3.82Å; F93-I530 HydrophobicContact CB-CG1 4.35Å; F93-I530 HydrophobicContact CB-CG2 4.16Å; F93-I530 HydrophobicContact CD1-CD1 4.17Å; F93-I530 HydrophobicContact CD1-CG1 4.14Å; F93-I530 HydrophobicContact CD2-CB 4.38Å; F93-I530 HydrophobicContact CD2-CG1 4.12Å; F93-I530 HydrophobicContact CD2-CG2 3.48Å; F93-I530 VanDerWaalsContact CD2-CG2 3.48Å; F93-I530 HydrophobicContact CE1-CG1 4.45Å; F93-I530 HydrophobicContact CE2-CG1 4.42Å; F93-I530 HydrophobicContact CE2-CG2 4.03Å; F93-I530 HydrophobicContact CG-CD1 3.93Å; F93-I530 HydrophobicContact CG-CG1 3.95Å; F93-I530 HydrophobicContact CG-CG2 3.96Å
94	L	88.8	Confident	87.9	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-62.8	-44.8	178.9	-170.9	151.2	0	0	0	111.1	I90 A91 R96 K97 L98 F422 A425 L505 L508 L510	I90-L94 VanDerWaalsContact O-CB 3.28Å; I90-L94 WeakPolarHBondContact O-CB 3.42Å; I90-L94 PolarHBondContact O-N 3.39Å; A91-L94 PolarHBondContact O-N 3.06Å; L94-R96 PolarHBondContact O-N 3.43Å; L94-K97 PolarHBondContact O-N 3.46Å; L94-L98 HydrophobicContact CD2-CD1 3.5Å; L94-L98 VanDerWaalsContact CD2-CD1 3.5Å; L94-L98 HydrophobicContact CD2-CG 4.12Å; L94-L98 WeakPolarHBondContact O-CG 3.37Å; L94-L98 PolarHBondContact O-N 3.12Å; L94-F422 HydrophobicContact CD2-CB 4.5Å; L94-F422 HydrophobicContact CD2-CD2 3.38Å; L94-F422 HydrophobicContact CD2-CE2 3.87Å; L94-F422 HydrophobicContact CD2-CG 4.26Å; L94-A425 HydrophobicContact CD1-CB 3.96Å; L94-A425 HydrophobicContact CD2-CB 4.25Å; L94-L505 HydrophobicContact CD1-CD2 3.85Å; L94-L508 HydrophobicContact CG-CD1 4.46Å; L94-L510 HydrophobicContact CD1-CD1 4.47Å
95	D	89	Confident	87.9	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-57.9	-48.1	175.7	-166.1	63.2	0	0	0	111	R65 A91 K97 L98 E99 H418 F422 L544	R65-D95 IonicContact NH1-OD1 2.81Å; R65-D95 PolarHBondContact NH1-OD1 3.12Å; R65-D95 IonicContact NH1-OD2 3.67Å; A91-D95 PolarHBondContact O-N 3.42Å; D95-K97 PolarHBondContact O-N 2.9Å; D95-L98 PolarHBondContact O-N 2.92Å; D95-E99 WeakPolarHBondContact O-CB 3.29Å; D95-E99 PolarHBondContact O-N 3.44Å; D95-H418 IonicContact OD1-CE1 3.5Å; D95-H418 PolarHBondContact OD1-CE1 3.36Å; D95-H418 VanDerWaalsContact OD1-CE1 3.29Å; D95-H418 IonicContact OD1-NE2 2.79Å; D95-F422 HydrophobicContact CB-CD2 3.96Å; D95-F422 HydrophobicContact CB-CE2 3.76Å; D95-L544 HydrophobicContact CB-CD2 3.67Å
96	R	86.6	Confident	87.9	Confident	57 Å²	57	34.2 Å²	34.2	22%	0.215	17%	0.165	C	C	.	.	H	α-helix	trans	-59.9	-42.8	177.2	-74.2	-178	177.7	-173.1	2.5	113.3	V92 F93 L94 E99 S100 D533 G534 S538	V92-R96 WeakPolarHBondContact O-CG 3.37Å; V92-R96 PolarHBondContact O-N 3.06Å; V92-R96 VanDerWaalsContact O-N 3.14Å; F93-R96 PolarHBondContact O-N 2.74Å; L94-R96 PolarHBondContact O-N 3.43Å; R96-E99 PolarHBondContact O-N 2.94Å; R96-S100 PolarHBondContact O-N 3.07Å; R96-D533 PolarHBondContact NH1-O 3.45Å; R96-G534 PolarHBondContact NH2-O 3.36Å; R96-S538 PolarHBondContact NH2-OG 3.04Å
97	K	88	Confident	87.9	Confident	85 Å²	85	37 Å²	37	37%	0.37	19%	0.185	S	C	.	.	H	α-helix	trans	-67.2	-41.6	179.9	-72.3	-65.2	-177.4	-176	0	111.3	F93 L94 D95 S100 Q101 L508	F93-K97 HydrophobicContact CD1-CG 4.44Å; F93-K97 HydrophobicContact CD2-CG 4.37Å; F93-K97 HydrophobicContact CE1-CG 4.05Å; F93-K97 HydrophobicContact CE2-CD 4.33Å; F93-K97 HydrophobicContact CE2-CG 3.99Å; F93-K97 HydrophobicContact CZ-CD 4.26Å; F93-K97 VanDerWaalsContact CZ-CE 3.46Å; F93-K97 HydrophobicContact CZ-CG 3.83Å; F93-K97 WeakPolarHBondContact O-CG 3.46Å; F93-K97 PolarHBondContact O-N 3.39Å; L94-K97 PolarHBondContact O-N 3.46Å; D95-K97 PolarHBondContact O-N 2.9Å; K97-S100 PolarHBondContact O-OG 2.84Å; K97-Q101 PolarHBondContact O-N 3.3Å; K97-L508 HydrophobicContact CB-CD2 4.03Å; K97-L508 HydrophobicContact CD-CD2 4.43Å; K97-L508 HydrophobicContact CG-CD2 3.95Å
98	L	88.2	Confident	87.9	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-64.8	-44.1	173.6	-69.3	-178.7	0	0	0	111.6	L94 D95 S100 Q101 F102 E421 F422 I504	L94-L98 HydrophobicContact CD2-CD1 3.5Å; L94-L98 VanDerWaalsContact CD2-CD1 3.5Å; L94-L98 HydrophobicContact CD2-CG 4.12Å; L94-L98 WeakPolarHBondContact O-CG 3.37Å; L94-L98 PolarHBondContact O-N 3.12Å; D95-L98 PolarHBondContact O-N 2.92Å; L98-S100 VanDerWaalsContact C-N 3.35Å; L98-S100 PolarHBondContact O-N 2.93Å; L98-Q101 WeakPolarHBondContact O-CA 3.46Å; L98-Q101 WeakPolarHBondContact O-CB 3.46Å; L98-Q101 PolarHBondContact O-N 2.96Å; L98-F102 WeakPolarHBondContact O-CD2 3.4Å; L98-F102 PolarHBondContact O-N 2.91Å; L98-E421 HydrophobicContact CD1-CB 4.48Å; L98-E421 HydrophobicContact CD1-CG 4.3Å; L98-E421 HydrophobicContact CD2-CG 4.1Å; L98-F422 HydrophobicContact CD1-CB 3.84Å; L98-F422 HydrophobicContact CD1-CD2 4.46Å; L98-I504 HydrophobicContact CD2-CG2 4.15Å
99	E	87.6	Confident	87.7	Confident	24 Å²	24	37.7 Å²	37.7	11%	0.112	19%	0.188	C	C	.	.	H	α-helix	trans	-53	-50.3	179.1	-174.4	-177	141.9	0	0	112.1	D95 R96 Q101 F102 Q103 R543 P549	D95-E99 WeakPolarHBondContact O-CB 3.29Å; D95-E99 PolarHBondContact O-N 3.44Å; R96-E99 PolarHBondContact O-N 2.94Å; E99-Q101 PolarHBondContact O-N 2.91Å; E99-F102 PolarHBondContact O-N 3.33Å; E99-F102 VanDerWaalsContact O-N 3.12Å; E99-Q103 HydrophobicContact CG-CG 4.49Å; E99-Q103 WeakPolarHBondContact O-CG 3.45Å; E99-Q103 PolarHBondContact O-N 3.08Å; E99-Q103 PolarHBondContact OE1-NE2 3.29Å; E99-Q103 VanDerWaalsContact OE1-NE2 3.12Å; E99-R543 IonicContact OE1-NH2 2.66Å; E99-R543 IonicContact OE2-CZ 3.57Å; E99-R543 IonicContact OE2-NE 3.8Å; E99-R543 IonicContact OE2-NH2 3.79Å; E99-R543 PolarHBondContact OE2-NH2 3.36Å; E99-P549 HydrophobicContact CG-CB 4.04Å; E99-P549 WeakPolarHBondContact CG-O 3.44Å; E99-P549 VanDerWaalsContact OE1-O 3.07Å
100	S	87.7	Confident	87.6	Confident	55 Å²	55	36.7 Å²	36.7	39%	0.385	19%	0.19	S	C	.	.	H	α-helix	trans	-58.1	-34.4	176.7	64.6	0	0	0	0	113.6	R96 K97 L98 I104	R96-S100 PolarHBondContact O-N 3.07Å; K97-S100 PolarHBondContact O-OG 2.84Å; L98-S100 VanDerWaalsContact C-N 3.35Å; L98-S100 PolarHBondContact O-N 2.93Å; S100-I104 WeakPolarHBondContact O-CG1 2.97Å; S100-I104 PolarHBondContact O-N 3.49Å
101	Q	87.5	Confident	87.4	Confident	75 Å²	75	38.9 Å²	38.9	35%	0.35	21%	0.208	S	C	.	.	H	α-helix	trans	-72	-42.4	176.3	-66.6	178.6	10.8	0	0	111.3	K97 L98 E99 I104 L105	K97-Q101 PolarHBondContact O-N 3.3Å; L98-Q101 WeakPolarHBondContact O-CA 3.46Å; L98-Q101 WeakPolarHBondContact O-CB 3.46Å; L98-Q101 PolarHBondContact O-N 2.96Å; E99-Q101 PolarHBondContact O-N 2.91Å; Q101-I104 PolarHBondContact O-N 3.08Å; Q101-L105 WeakPolarHBondContact O-CG 3.31Å; Q101-L105 PolarHBondContact O-N 3.34Å; Q101-L105 VanDerWaalsContact O-N 3.07Å
102	F	88.4	Confident	87	Confident	3 Å²	3	40.2 Å²	40.2	1%	0.013	22%	0.215	C	C	.	.	H	α-helix	trans	-72.1	-28.3	179.2	-82	-85.7	0	0	0	113.1	L98 E99 L105 Q106 L414 A417 H418 E421 L550	L98-F102 WeakPolarHBondContact O-CD2 3.4Å; L98-F102 PolarHBondContact O-N 2.91Å; E99-F102 PolarHBondContact O-N 3.33Å; E99-F102 VanDerWaalsContact O-N 3.12Å; F102-L105 HydrophobicContact CD1-CD1 4.06Å; F102-L105 HydrophobicContact CE1-CD1 4.21Å; F102-L105 HydrophobicContact CG-CD1 4.5Å; F102-L105 PolarHBondContact O-N 2.9Å; F102-Q106 WeakPolarHBondContact O-CB 3.48Å; F102-Q106 PolarHBondContact O-N 2.86Å; F102-L414 HydrophobicContact CD1-CD2 4.23Å; F102-A417 HydrophobicContact CE1-CB 3.58Å; F102-A417 HydrophobicContact CZ-CB 3.98Å; F102-H418 HydrophobicContact CD1-CB 4.09Å; F102-H418 HydrophobicContact CD2-CB 3.86Å; F102-H418 AromaticContact CD2-CD2 3.59Å; F102-H418 HydrophobicContact CE1-CB 4.25Å; F102-H418 HydrophobicContact CE2-CB 4.01Å; F102-H418 HydrophobicContact CG-CB 3.89Å; F102-H418 HydrophobicContact CZ-CB 4.2Å; F102-E421 HydrophobicContact CE2-CB 4.44Å; F102-E421 HydrophobicContact CZ-CB 4.48Å; F102-L550 HydrophobicContact CB-CD2 3.94Å
103	Q	88.8	Confident	86.6	Confident	83 Å²	83	40.1 Å²	40.1	39%	0.388	22%	0.215	S	C	.	.	H	α-helix	trans	-64	-41.1	170	-74.5	177.2	4.5	0	0	111.8	E99 L105 Q106 S107 L550	E99-Q103 HydrophobicContact CG-CG 4.49Å; E99-Q103 WeakPolarHBondContact O-CG 3.45Å; E99-Q103 PolarHBondContact O-N 3.08Å; E99-Q103 PolarHBondContact OE1-NE2 3.29Å; E99-Q103 VanDerWaalsContact OE1-NE2 3.12Å; Q103-L105 VanDerWaalsContact C-N 3.34Å; Q103-Q106 PolarHBondContact O-N 3.45Å; Q103-S107 PolarHBondContact O-N 3.48Å; Q103-L550 HydrophobicContact CG-CD2 4.45Å
104	I	89.3	Confident	85.7	Confident	113 Å²	113	47.1 Å²	47.1	58%	0.579	24%	0.24	S	C	*	.	H	α-helix	trans	-61.5	-45.7	172.8	-65.3	164.9	0	0	0	109.9	S100 Q101 Q106 S107 E108	S100-I104 WeakPolarHBondContact O-CG1 2.97Å; S100-I104 PolarHBondContact O-N 3.49Å; Q101-I104 PolarHBondContact O-N 3.08Å; I104-Q106 VanDerWaalsContact C-N 3.35Å; I104-Q106 PolarHBondContact O-N 3.23Å; I104-S107 PolarHBondContact O-N 3.21Å; I104-S107 PolarHBondContact O-OG 3.37Å; I104-E108 PolarHBondContact O-N 3.09Å
105	L	87	Confident	84.3	Confident	14 Å²	14	47.7 Å²	47.7	7%	0.073	24%	0.244	C	C	.	.	H	α-helix	trans	-61.4	-42.9	177.1	-68.7	169.6	0	0	0	112.1	F33 Q101 F102 Q103 S107 E108 F109 I152 L414	F33-L105 HydrophobicContact CE2-CD2 3.81Å; F33-L105 HydrophobicContact CZ-CD1 4.06Å; F33-L105 HydrophobicContact CZ-CD2 3.51Å; F33-L105 HydrophobicContact CZ-CG 4.36Å; Q101-L105 WeakPolarHBondContact O-CG 3.31Å; Q101-L105 PolarHBondContact O-N 3.34Å; Q101-L105 VanDerWaalsContact O-N 3.07Å; F102-L105 HydrophobicContact CD1-CD1 4.06Å; F102-L105 HydrophobicContact CE1-CD1 4.21Å; F102-L105 HydrophobicContact CG-CD1 4.5Å; F102-L105 PolarHBondContact O-N 2.9Å; Q103-L105 VanDerWaalsContact C-N 3.34Å; L105-S107 VanDerWaalsContact C-N 3.27Å; L105-S107 PolarHBondContact O-N 2.86Å; L105-E108 CarbonylContact O-C 3.56Å; L105-E108 WeakPolarHBondContact O-CA 3.46Å; L105-E108 WeakPolarHBondContact O-CB 3.32Å; L105-E108 PolarHBondContact O-N 3.14Å; L105-F109 VanDerWaalsContact O-CD2 3.23Å; L105-F109 WeakPolarHBondContact O-CD2 3.27Å; L105-F109 PolarHBondContact O-N 3.42Å; L105-I152 HydrophobicContact CD1-CD1 4.21Å; L105-I152 HydrophobicContact CD2-CD1 4.45Å; L105-L414 HydrophobicContact CB-CD2 4.27Å
106	Q	87.5	Confident	82.9	Confident	51 Å²	51	48.6 Å²	48.6	24%	0.238	25%	0.249	C	C	.	.	H	α-helix	trans	-58.5	-40.4	176.2	-168.6	179.5	21.3	0	0	111.8	F102 Q103 I104 E108 F109 S110 N411 L414	F102-Q106 WeakPolarHBondContact O-CB 3.48Å; F102-Q106 PolarHBondContact O-N 2.86Å; Q103-Q106 PolarHBondContact O-N 3.45Å; I104-Q106 VanDerWaalsContact C-N 3.35Å; I104-Q106 PolarHBondContact O-N 3.23Å; Q106-E108 VanDerWaalsContact C-N 3.34Å; Q106-F109 PolarHBondContact O-N 3.37Å; Q106-S110 WeakPolarHBondContact O-CB 3.49Å; Q106-S110 PolarHBondContact O-N 3.31Å; Q106-S110 PolarHBondContact O-OG 2.87Å; Q106-N411 PolarHBondContact NE2-OD1 3.18Å; Q106-L414 HydrophobicContact CB-CD1 4.02Å; Q106-L414 HydrophobicContact CG-CD1 4.21Å
107	S	86.7	Confident	81.3	Confident	72 Å²	72	49.6 Å²	49.6	50%	0.503	26%	0.259	S	S	.	.	H	α-helix	trans	-65	-35.7	173.8	78.8	0	0	0	0	112.8	Q103 I104 L105 S110 A111	Q103-S107 PolarHBondContact O-N 3.48Å; I104-S107 PolarHBondContact O-N 3.21Å; I104-S107 PolarHBondContact O-OG 3.37Å; L105-S107 VanDerWaalsContact C-N 3.27Å; L105-S107 PolarHBondContact O-N 2.86Å; S107-S110 WeakPolarHBondContact CA-OG 3.22Å; S107-S110 PolarHBondContact O-OG 3.49Å; S107-A111 PolarHBondContact O-N 2.79Å
108	E	87.7	Confident	79.4	Confident	56 Å²	56	49.5 Å²	49.5	26%	0.262	27%	0.265	S	S	.	.	H	α-helix	trans	-67.7	-47.2	174.3	-174.6	179.6	175.3	0	0	111.3	I104 L105 Q106 S110 A111 L112 R148	I104-E108 PolarHBondContact O-N 3.09Å; L105-E108 CarbonylContact O-C 3.56Å; L105-E108 WeakPolarHBondContact O-CA 3.46Å; L105-E108 WeakPolarHBondContact O-CB 3.32Å; L105-E108 PolarHBondContact O-N 3.14Å; Q106-E108 VanDerWaalsContact C-N 3.34Å; E108-S110 PolarHBondContact O-N 3.2Å; E108-A111 WeakPolarHBondContact O-CB 3.28Å; E108-A111 PolarHBondContact O-N 3.1Å; E108-A111 VanDerWaalsContact O-N 3.15Å; E108-L112 HydrophobicContact CG-CD1 4.14Å; E108-L112 WeakPolarHBondContact O-CG 3.41Å; E108-L112 PolarHBondContact O-N 3.29Å; E108-R148 IonicContact OE1-CZ 3.89Å; E108-R148 VanDerWaalsContact OE1-CZ 3.31Å; E108-R148 IonicContact OE1-NE 2.77Å; E108-R148 PolarHBondContact OE1-NE 3.23Å; E108-R148 IonicContact OE1-NH2 3.29Å; E108-R148 PolarHBondContact OE1-NH2 3.01Å; E108-R148 IonicContact OE2-NH2 2.99Å
109	F	85.9	Confident	77.2	Confident	2 Å²	2	53.3 Å²	53.3	1%	0.009	29%	0.292	C	S	.	.	H	α-helix	trans	-64.2	-42.3	178.4	-84.7	-77.7	0	0	0	112.6	L105 Q106 A111 L112 S113 L145 R148 L149 I152 I410 L414	L105-F109 VanDerWaalsContact O-CD2 3.23Å; L105-F109 WeakPolarHBondContact O-CD2 3.27Å; L105-F109 PolarHBondContact O-N 3.42Å; Q106-F109 PolarHBondContact O-N 3.37Å; F109-A111 PolarHBondContact O-N 3.26Å; F109-L112 CarbonylContact O-C 3.45Å; F109-L112 PolarHBondContact O-N 2.89Å; F109-L112 VanDerWaalsContact O-N 3.07Å; F109-S113 WeakPolarHBondContact O-CB 3.46Å; F109-S113 PolarHBondContact O-N 3.47Å; F109-S113 PolarHBondContact O-OG 3.48Å; F109-S113 VanDerWaalsContact O-OG 3.08Å; F109-L145 HydrophobicContact CD1-CD1 3.74Å; F109-L145 HydrophobicContact CE1-CD1 4.03Å; F109-R148 HydrophobicContact CE1-CB 3.89Å; F109-R148 HydrophobicContact CZ-CB 3.65Å; F109-L149 HydrophobicContact CE1-CD2 3.87Å; F109-L149 HydrophobicContact CE1-CG 4.12Å; F109-I152 HydrophobicContact CD2-CD1 4.39Å; F109-I152 HydrophobicContact CE2-CD1 3.21Å; F109-I152 HydrophobicContact CE2-CG1 4.38Å; F109-I152 HydrophobicContact CZ-CD1 3.48Å; F109-I152 VanDerWaalsContact CZ-CD1 3.48Å; F109-I152 HydrophobicContact CZ-CG1 4.23Å; F109-I410 HydrophobicContact CB-CG2 3.77Å; F109-I410 HydrophobicContact CD1-CD1 4.39Å; F109-I410 HydrophobicContact CD1-CG2 3.71Å; F109-I410 HydrophobicContact CD2-CG2 4.4Å; F109-I410 HydrophobicContact CE1-CG2 4.46Å; F109-I410 HydrophobicContact CG-CG2 3.67Å; F109-L414 HydrophobicContact CD2-CD1 4.05Å; F109-L414 HydrophobicContact CD2-CD2 4Å; F109-L414 HydrophobicContact CD2-CG 4.46Å; F109-L414 HydrophobicContact CE2-CD2 4Å; F109-L414 HydrophobicContact CG-CD1 4.49Å
110	S	84.5	Confident	74.9	Confident	50 Å²	50	59 Å²	59	35%	0.35	32%	0.323	S	S	.	.	H	α-helix	trans	-62.6	-27.4	175.3	57.2	0	0	0	0	112.8	Q106 S107 E108 R114	Q106-S110 WeakPolarHBondContact O-CB 3.49Å; Q106-S110 PolarHBondContact O-N 3.31Å; Q106-S110 PolarHBondContact O-OG 2.87Å; S107-S110 WeakPolarHBondContact CA-OG 3.22Å; S107-S110 PolarHBondContact O-OG 3.49Å; E108-S110 PolarHBondContact O-N 3.2Å; S110-R114 WeakPolarHBondContact O-CG 3.31Å
111	A	82.4	Confident	72.4	Confident	47 Å²	47	64.2 Å²	64.2	39%	0.388	35%	0.346	S	S	.	.	H	α-helix	trans	-74.7	-38.8	170.8	0	0	0	0	0	112.3	S107 E108 F109	S107-A111 PolarHBondContact O-N 2.79Å; E108-A111 WeakPolarHBondContact O-CB 3.28Å; E108-A111 PolarHBondContact O-N 3.1Å; E108-A111 VanDerWaalsContact O-N 3.15Å; F109-A111 PolarHBondContact O-N 3.26Å
112	L	80.5	Confident	69.7	Low	27 Å²	27	65.6 Å²	65.6	14%	0.141	36%	0.364	C	S	.	.	H	α-helix	trans	-77.8	-26.9	179.5	-68	175.5	0	0	0	113.8	E108 F109 P115 W144 L145 R148	E108-L112 HydrophobicContact CG-CD1 4.14Å; E108-L112 WeakPolarHBondContact O-CG 3.41Å; E108-L112 PolarHBondContact O-N 3.29Å; F109-L112 CarbonylContact O-C 3.45Å; F109-L112 PolarHBondContact O-N 2.89Å; F109-L112 VanDerWaalsContact O-N 3.07Å; L112-P115 WeakPolarHBondContact O-CD 3.45Å; L112-W144 HydrophobicContact CD2-CB 3.95Å; L112-L145 HydrophobicContact CB-CB 4.32Å; L112-L145 HydrophobicContact CB-CD1 4.06Å; L112-R148 HydrophobicContact CD1-CG 4.03Å
113	S	78.9	Confident	67	Low	1 Å²	1	75 Å²	75	1%	0.007	41%	0.408	C	S	.	.	S	Bend	trans	-88.2	-6.2	-173.7	71.1	0	0	0	0	114.3	F109 P115 L116	F109-S113 WeakPolarHBondContact O-CB 3.46Å; F109-S113 PolarHBondContact O-N 3.47Å; F109-S113 PolarHBondContact O-OG 3.48Å; F109-S113 VanDerWaalsContact O-OG 3.08Å; S113-P115 VanDerWaalsContact C-N 3.27Å; S113-P115 VanDerWaalsContact O-N 3.15Å; S113-L116 WeakPolarHBondContact O-CA 3.42Å; S113-L116 VanDerWaalsContact O-CB 3.26Å; S113-L116 WeakPolarHBondContact O-CB 3.47Å; S113-L116 WeakPolarHBondContact O-CG 3.36Å; S113-L116 PolarHBondContact O-N 3.31Å
114	R	68.6	Low	64.4	Low	172 Å²	172	74.3 Å²	74.3	65%	0.649	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-46.5	-39.1	176.8	-67.3	-174.9	-177.1	170	0.5	115.1	S110 L116 D117	S110-R114 WeakPolarHBondContact O-CG 3.31Å; R114-L116 VanDerWaalsContact C-N 3.29Å; R114-L116 PolarHBondContact O-N 3.32Å; R114-D117 PolarHBondContact O-N 2.98Å
115	P	60.3	Low	61.5	Low	12 Å²	12	74.8 Å²	74.8	8%	0.078	43%	0.431	C	S	.	.	G	3₁₀ helix	trans	-70.4	-19.1	175.1	26.3	-34.6	0	0	0	114.5	L112 S113 D117 E138 R141	L112-P115 WeakPolarHBondContact O-CD 3.45Å; S113-P115 VanDerWaalsContact C-N 3.27Å; S113-P115 VanDerWaalsContact O-N 3.15Å; P115-D117 VanDerWaalsContact C-N 3.32Å; P115-E138 HydrophobicContact CB-CG 3.95Å; P115-E138 WeakPolarHBondContact CB-OE1 3.26Å; P115-R141 HydrophobicContact CG-CB 4.46Å
116	L	57.9	Low	58.8	Low	21 Å²	21	79.8 Å²	79.8	11%	0.11	47%	0.468	C	S	.	.	G	3₁₀ helix	trans	-71.8	-28.8	175.2	-51.6	-179.2	0	0	0	112.3	S113 R114 V118 L145 L289 I410	S113-L116 WeakPolarHBondContact O-CA 3.42Å; S113-L116 VanDerWaalsContact O-CB 3.26Å; S113-L116 WeakPolarHBondContact O-CB 3.47Å; S113-L116 WeakPolarHBondContact O-CG 3.36Å; S113-L116 PolarHBondContact O-N 3.31Å; R114-L116 VanDerWaalsContact C-N 3.29Å; R114-L116 PolarHBondContact O-N 3.32Å; L116-V118 PolarHBondContact O-N 3Å; L116-L145 HydrophobicContact CD1-CD2 3.79Å; L116-L145 HydrophobicContact CD2-CD2 3.97Å; L116-L145 HydrophobicContact CG-CD2 4.08Å; L116-L289 HydrophobicContact CD2-CB 3.9Å; L116-L289 HydrophobicContact CD2-CD2 3.41Å; L116-L289 VanDerWaalsContact CD2-CD2 3.41Å; L116-L289 HydrophobicContact CD2-CG 4.26Å; L116-L289 VanDerWaalsContact CD2-O 3.26Å; L116-L289 WeakPolarHBondContact CD2-O 3.4Å; L116-I410 HydrophobicContact CD1-CD1 3.95Å
117	D	53.4	Low	56.1	Low	78 Å²	78	81.6 Å²	81.6	42%	0.417	49%	0.486	S	S	.	.	G	3₁₀ helix	trans	-84.5	21.2	-174.5	-70.4	-23.1	0	0	0	112.9	R114 P115 S119	R114-D117 PolarHBondContact O-N 2.98Å; P115-D117 VanDerWaalsContact C-N 3.32Å; D117-S119 PolarHBondContact O-N 3.35Å
118	V	49.5	Very low	53.7	Low	83 Å²	83	87.9 Å²	87.9	50%	0.503	51%	0.505	S	S	.	.			trans	-76.2	51.7	166.6	-166.2	0	0	0	0	109.9	L116	L116-V118 PolarHBondContact O-N 3Å
119	S	40.6	Very low	51.5	Low	81 Å²	81	90.3 Å²	90.3	57%	0.566	53%	0.528	S	S	*	.	S	Bend	trans	-105.9	106.4	154.2	63.3	0	0	0	0	106.5	D117	D117-S119 PolarHBondContact O-N 3.35Å
120	N	40	Very low	49.6	Very low	144 Å²	144	95.1 Å²	95.1	77%	0.77	56%	0.557	S	S	*	*	S	Bend	trans	83.5	93.2	169.6	-43.2	-23.7	0	0	0	115.3
121	N	35	Very low	47.9	Very low	163 Å²	163	97.3 Å²	97.3	87%	0.872	57%	0.565	S	S	*	*			trans	147.1	65.4	138.4	-69.8	-11.8	0	0	0	112.7
122	S	30	Very low	46.4	Very low	104 Å²	104	101 Å²	101	73%	0.727	58%	0.583	S	S	*	*			trans	-158.2	53.6	147.4	72.9	0	0	0	0	110.7	G124	S122-G124 PolarHBondContact O-N 3.08Å
123	E	33.5	Very low	45.1	Very low	202 Å²	202	102.7 Å²	102.7	94%	0.944	60%	0.597	S	S	*	*	S	Bend	trans	-68.1	114.6	145.4	-77	-177.4	158.3	0	0	106.5
124	G	34.1	Very low	44.5	Very low	68 Å²	68	104.8 Å²	104.8	70%	0.701	61%	0.612	S	S	*	*	S	Bend	trans	91.1	67	163.4	0	0	0	0	0	116.7	S122	S122-G124 PolarHBondContact O-N 3.08Å
125	T	27.8	Very low	44.5	Very low	122 Å²	122	99.8 Å²	99.8	75%	0.748	60%	0.598	S	S	*	*				-147.2	101.2	127.2	-39.7	0	0	0	0	108.8	S127	T125-S127 PolarHBondContact O-N 3.29Å
126	S	31.1	Very low	45.3	Very low	120 Å²	120	101.9 Å²	101.9	84%	0.839	61%	0.613	S	S	*	*			trans	-49.1	103.1	159.6	48.9	0	0	0	0	110
127	S	30.6	Very low	46.4	Very low	89 Å²	89	105 Å²	105	62%	0.622	63%	0.629	S	S	*	*			trans	-130.4	88.4	156	58.1	0	0	0	0	108.9	T125 S129	T125-S127 PolarHBondContact O-N 3.29Å; S127-S129 PolarHBondContact O-N 3.15Å
128	F	34.9	Very low	47.7	Very low	204 Å²	204	103.4 Å²	103.4	90%	0.895	62%	0.619	S	S	*	*			trans	-39.1	130.3	156.7	-131.3	-110.4	0	0	0	109.9
129	S	43.1	Very low	49.2	Very low	106 Å²	106	103 Å²	103	74%	0.741	61%	0.614	S	S	*	*	S	Bend	trans	85.2	54.8	160.9	75.1	0	0	0	0	121.1	S127	S127-S129 PolarHBondContact O-N 3.15Å
130	V	44.9	Very low	51.2	Low	103 Å²	103	103.5 Å²	103.5	62%	0.624	61%	0.61	S	S	*	*			trans	-138.4	-4.2	154.4	-172.9	0	0	0	0	115.1	T132 S133	V130-T132 PolarHBondContact O-N 3.45Å; V130-S133 PolarHBondContact O-OG 3.11Å
131	D	49.1	Very low	53.2	Low	96 Å²	96	102.2 Å²	102.2	51%	0.513	59%	0.594	S	S	.	*	H	α-helix	trans	-86.5	2.5	-152.7	-63.2	-41.3	0	0	0	120.4	S133 S134 N135	D131-S133 VanDerWaalsContact C-N 3.35Å; D131-S134 WeakPolarHBondContact CA-OG 3.31Å; D131-S134 PolarHBondContact O-OG 3.15Å; D131-S134 VanDerWaalsContact O-OG 3.08Å; D131-S134 PolarHBondContact OD1-OG 3.12Å; D131-N135 WeakPolarHBondContact O-CB 3.47Å; D131-N135 PolarHBondContact O-N 3.45Å; D131-N135 PolarHBondContact O-ND2 3.02Å
132	T	51.7	Low	55.5	Low	126 Å²	126	94.7 Å²	94.7	77%	0.773	55%	0.554	S	S	*	*	H	α-helix	trans	-71.5	-34.1	172.9	34.4	0	0	0	0	112.1	V130 S136	V130-T132 PolarHBondContact O-N 3.45Å; T132-S136 PolarHBondContact O-N 3.15Å; T132-S136 PolarHBondContact O-OG 3.49Å
133	S	52.4	Low	58.1	Low	62 Å²	62	91.8 Å²	91.8	43%	0.434	53%	0.528	S	S	.	.	H	α-helix	trans	-73.9	-39.1	178.7	68.3	0	0	0	0	112.6	V130 D131 S136 N137	V130-S133 PolarHBondContact O-OG 3.11Å; D131-S133 VanDerWaalsContact C-N 3.35Å; S133-S136 PolarHBondContact O-OG 3.36Å; S133-N137 PolarHBondContact O-N 3.44Å; S133-N137 PolarHBondContact O-ND2 2.92Å; S133-N137 VanDerWaalsContact O-ND2 3.1Å
134	S	65.6	Low	60.6	Low	45 Å²	45	88.2 Å²	88.2	32%	0.315	51%	0.507	S	S	.	.	H	α-helix	trans	-65.1	-46.4	176.3	52.7	0	0	0	0	111.2	D131 S136 N137 E138	D131-S134 WeakPolarHBondContact CA-OG 3.31Å; D131-S134 PolarHBondContact O-OG 3.15Å; D131-S134 VanDerWaalsContact O-OG 3.08Å; D131-S134 PolarHBondContact OD1-OG 3.12Å; S134-S136 PolarHBondContact O-N 2.97Å; S134-N137 PolarHBondContact O-N 2.95Å; S134-E138 WeakPolarHBondContact O-CB 3.48Å; S134-E138 PolarHBondContact O-N 3.37Å
135	N	69.9	Low	63.2	Low	67 Å²	67	85 Å²	85	36%	0.358	47%	0.473	S	S	.	.	H	α-helix	trans	-61.6	-41	177.7	-72	-4.5	0	0	0	112.6	D131 N137 E138 L139	D131-N135 WeakPolarHBondContact O-CB 3.47Å; D131-N135 PolarHBondContact O-N 3.45Å; D131-N135 PolarHBondContact O-ND2 3.02Å; N135-N137 VanDerWaalsContact C-N 3.35Å; N135-N137 PolarHBondContact O-N 3.39Å; N135-E138 PolarHBondContact O-N 3.38Å; N135-L139 WeakPolarHBondContact O-CB 3.46Å; N135-L139 VanDerWaalsContact O-CG 3.28Å; N135-L139 WeakPolarHBondContact O-CG 3.27Å; N135-L139 PolarHBondContact O-N 3.28Å
136	S	77.2	Confident	66	Low	56 Å²	56	79.5 Å²	79.5	39%	0.392	44%	0.439	S	S	.	.	H	α-helix	trans	-62.9	-41.6	176.9	64.9	0	0	0	0	112.4	T132 S133 S134 E138 L139 D140	T132-S136 PolarHBondContact O-N 3.15Å; T132-S136 PolarHBondContact O-OG 3.49Å; S133-S136 PolarHBondContact O-OG 3.36Å; S134-S136 PolarHBondContact O-N 2.97Å; S136-E138 VanDerWaalsContact C-N 3.35Å; S136-L139 PolarHBondContact O-N 3.29Å; S136-D140 WeakPolarHBondContact O-CB 3.4Å; S136-D140 PolarHBondContact O-N 3.21Å
137	N	80.8	Confident	68.7	Low	85 Å²	85	75.8 Å²	75.8	46%	0.455	41%	0.407	S	S	.	.	H	α-helix	trans	-68.4	-34.5	176.7	-71.6	-36.7	0	0	0	112.2	S133 S134 N135 R141	S133-N137 PolarHBondContact O-N 3.44Å; S133-N137 PolarHBondContact O-ND2 2.92Å; S133-N137 VanDerWaalsContact O-ND2 3.1Å; S134-N137 PolarHBondContact O-N 2.95Å; N135-N137 VanDerWaalsContact C-N 3.35Å; N135-N137 PolarHBondContact O-N 3.39Å; N137-R141 VanDerWaalsContact O-CG 3.24Å; N137-R141 WeakPolarHBondContact O-CG 3.26Å; N137-R141 PolarHBondContact O-N 3.01Å
138	E	80.1	Confident	71.4	Confident	45 Å²	45	73.6 Å²	73.6	21%	0.21	39%	0.385	C	S	.	.	H	α-helix	trans	-66.6	-47.7	175	-178.4	165.9	-146.9	0	0	111.2	P115 S134 N135 S136 D140 R141 E142	P115-E138 HydrophobicContact CB-CG 3.95Å; P115-E138 WeakPolarHBondContact CB-OE1 3.26Å; S134-E138 WeakPolarHBondContact O-CB 3.48Å; S134-E138 PolarHBondContact O-N 3.37Å; N135-E138 PolarHBondContact O-N 3.38Å; S136-E138 VanDerWaalsContact C-N 3.35Å; E138-D140 VanDerWaalsContact C-N 3.3Å; E138-D140 PolarHBondContact O-N 3.08Å; E138-R141 WeakPolarHBondContact O-CB 3.31Å; E138-R141 PolarHBondContact O-N 3.5Å; E138-R141 VanDerWaalsContact O-N 3.08Å; E138-E142 WeakPolarHBondContact O-CG 3.29Å; E138-E142 PolarHBondContact O-N 2.84Å
139	L	80.2	Confident	74	Confident	75 Å²	75	63.9 Å²	63.9	39%	0.393	34%	0.342	S	S	.	.	H	α-helix	trans	-59.8	-39.8	174.5	-70.4	173.8	0	0	0	112.2	N135 S136 E142 F143	N135-L139 WeakPolarHBondContact O-CB 3.46Å; N135-L139 VanDerWaalsContact O-CG 3.28Å; N135-L139 WeakPolarHBondContact O-CG 3.27Å; N135-L139 PolarHBondContact O-N 3.28Å; S136-L139 PolarHBondContact O-N 3.29Å; L139-E142 PolarHBondContact O-N 3.47Å; L139-F143 VanDerWaalsContact O-CB 3.24Å; L139-F143 WeakPolarHBondContact O-CB 3.23Å; L139-F143 PolarHBondContact O-N 2.99Å
140	D	83.1	Confident	76.1	Confident	91 Å²	91	59.4 Å²	59.4	49%	0.487	31%	0.312	S	S	.	.	H	α-helix	trans	-65.4	-38.3	174.9	-77.7	-13.1	0	0	0	111.6	S136 E138 F143 W144	S136-D140 WeakPolarHBondContact O-CB 3.4Å; S136-D140 PolarHBondContact O-N 3.21Å; E138-D140 VanDerWaalsContact C-N 3.3Å; E138-D140 PolarHBondContact O-N 3.08Å; D140-F143 WeakPolarHBondContact O-CB 3.28Å; D140-F143 PolarHBondContact O-N 2.91Å; D140-W144 PolarHBondContact O-N 3.2Å
141	R	82.2	Confident	78.1	Confident	117 Å²	117	55.5 Å²	55.5	44%	0.442	29%	0.287	S	S	.	.	H	α-helix	trans	-67.8	-44.9	174.8	-74.2	171.8	-173.8	179.7	4.6	112.1	P115 N137 E138 F143 W144 L145	P115-R141 HydrophobicContact CG-CB 4.46Å; N137-R141 VanDerWaalsContact O-CG 3.24Å; N137-R141 WeakPolarHBondContact O-CG 3.26Å; N137-R141 PolarHBondContact O-N 3.01Å; E138-R141 WeakPolarHBondContact O-CB 3.31Å; E138-R141 PolarHBondContact O-N 3.5Å; E138-R141 VanDerWaalsContact O-N 3.08Å; R141-F143 PolarHBondContact O-N 3.26Å; R141-W144 PolarHBondContact O-N 3.4Å; R141-L145 VanDerWaalsContact O-CB 3.31Å; R141-L145 WeakPolarHBondContact O-CB 3.34Å; R141-L145 PolarHBondContact O-N 3.46Å
142	E	83.6	Confident	80	Confident	5 Å²	5	51 Å²	51	2%	0.023	26%	0.263	C	S	.	.	H	α-helix	trans	-57.3	-42.3	173.6	-72.6	-171.7	160.9	0	0	110.9	E138 L139 L145 L146 R282	E138-E142 WeakPolarHBondContact O-CG 3.29Å; E138-E142 PolarHBondContact O-N 2.84Å; L139-E142 PolarHBondContact O-N 3.47Å; E142-L145 PolarHBondContact O-N 3.04Å; E142-L146 WeakPolarHBondContact O-CB 3.46Å; E142-L146 WeakPolarHBondContact O-CG 3.2Å; E142-L146 PolarHBondContact O-N 3.38Å; E142-R282 WeakPolarHBondContact OE2-CD 3.42Å; E142-R282 IonicContact OE2-CZ 3.36Å; E142-R282 IonicContact OE2-NH1 3.63Å; E142-R282 PolarHBondContact OE2-NH1 2.99Å
143	F	84.1	Confident	81.8	Confident	43 Å²	43	45 Å²	45	19%	0.189	23%	0.226	C	C	.	.	H	α-helix	trans	-60	-49.3	175.9	173.7	-83.6	0	0	0	111.8	L42 I45 L139 D140 R141 L145 L146 R147	L42-F143 HydrophobicContact CB-CE2 4.42Å; L42-F143 HydrophobicContact CD1-CD2 4.08Å; L42-F143 HydrophobicContact CD1-CE2 3.91Å; L42-F143 HydrophobicContact CG-CD2 4.23Å; L42-F143 HydrophobicContact CG-CE2 4.03Å; I45-F143 HydrophobicContact CB-CD2 4.45Å; I45-F143 HydrophobicContact CB-CE2 4.36Å; I45-F143 HydrophobicContact CD1-CD1 4.47Å; I45-F143 HydrophobicContact CD1-CD2 3.61Å; I45-F143 HydrophobicContact CD1-CE1 3.95Å; I45-F143 HydrophobicContact CD1-CE2 3Å; I45-F143 HydrophobicContact CD1-CG 4.32Å; I45-F143 HydrophobicContact CD1-CZ 3.18Å; I45-F143 HydrophobicContact CG1-CE2 4.17Å; I45-F143 HydrophobicContact CG2-CD2 4.2Å; L139-F143 VanDerWaalsContact O-CB 3.24Å; L139-F143 WeakPolarHBondContact O-CB 3.23Å; L139-F143 PolarHBondContact O-N 2.99Å; D140-F143 WeakPolarHBondContact O-CB 3.28Å; D140-F143 PolarHBondContact O-N 2.91Å; R141-F143 PolarHBondContact O-N 3.26Å; F143-L145 VanDerWaalsContact C-N 3.34Å; F143-L146 PolarHBondContact O-N 2.92Å; F143-R147 WeakPolarHBondContact O-CB 3.39Å; F143-R147 PolarHBondContact O-N 3.45Å
144	W	86.6	Confident	83.4	Confident	128 Å²	128	45.7 Å²	45.7	49%	0.485	23%	0.229	S	C	.	.	H	α-helix	trans	-65.5	-38.1	177.6	-77.9	113.1	0	0	0	112	L112 D140 R141 R147 R148	L112-W144 HydrophobicContact CD2-CB 3.95Å; D140-W144 PolarHBondContact O-N 3.2Å; R141-W144 PolarHBondContact O-N 3.4Å; W144-R147 PolarHBondContact O-N 2.97Å; W144-R148 WeakPolarHBondContact O-CB 3.31Å; W144-R148 VanDerWaalsContact O-CG 3.27Å; W144-R148 WeakPolarHBondContact O-CG 3.23Å; W144-R148 PolarHBondContact O-N 2.94Å
145	L	87.5	Confident	84.4	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.9	-51.3	174.7	177.7	71.5	0	0	0	111.3	F109 L112 L116 R141 E142 F143 R147 R148 L149 L289 I410	F109-L145 HydrophobicContact CD1-CD1 3.74Å; F109-L145 HydrophobicContact CE1-CD1 4.03Å; L112-L145 HydrophobicContact CB-CB 4.32Å; L112-L145 HydrophobicContact CB-CD1 4.06Å; L116-L145 HydrophobicContact CD1-CD2 3.79Å; L116-L145 HydrophobicContact CD2-CD2 3.97Å; L116-L145 HydrophobicContact CG-CD2 4.08Å; R141-L145 VanDerWaalsContact O-CB 3.31Å; R141-L145 WeakPolarHBondContact O-CB 3.34Å; R141-L145 PolarHBondContact O-N 3.46Å; E142-L145 PolarHBondContact O-N 3.04Å; F143-L145 VanDerWaalsContact C-N 3.34Å; L145-R147 VanDerWaalsContact C-N 3.33Å; L145-R147 PolarHBondContact O-N 3.43Å; L145-R148 PolarHBondContact O-N 2.86Å; L145-L149 HydrophobicContact CD1-CD1 4.39Å; L145-L149 HydrophobicContact CD1-CG 4.43Å; L145-L149 HydrophobicContact CG-CD1 4.05Å; L145-L149 HydrophobicContact CG-CG 4.44Å; L145-L149 WeakPolarHBondContact O-CB 3.46Å; L145-L149 WeakPolarHBondContact O-CG 3.3Å; L145-L149 PolarHBondContact O-N 2.69Å; L145-L289 HydrophobicContact CD2-CD2 4.4Å; L145-I410 HydrophobicContact CD1-CD1 4.2Å
146	L	87.6	Confident	85.3	Confident	6 Å²	6	40.8 Å²	40.8	3%	0.031	20%	0.2	C	C	.	.	H	α-helix	trans	-60.1	-43.3	178.8	-78.1	174	0	0	0	112	I45 E142 F143 R148 L149 A150 V191 C280 L289	I45-L146 HydrophobicContact CG2-CB 4.13Å; I45-L146 HydrophobicContact CG2-CD1 4.13Å; E142-L146 WeakPolarHBondContact O-CB 3.46Å; E142-L146 WeakPolarHBondContact O-CG 3.2Å; E142-L146 PolarHBondContact O-N 3.38Å; F143-L146 PolarHBondContact O-N 2.92Å; L146-R148 VanDerWaalsContact C-N 3.33Å; L146-R148 PolarHBondContact O-N 3.26Å; L146-L149 PolarHBondContact O-N 2.68Å; L146-A150 WeakPolarHBondContact O-CB 3.18Å; L146-A150 PolarHBondContact O-N 3.42Å; L146-V191 HydrophobicContact CD1-CG1 3.89Å; L146-V191 HydrophobicContact CD1-CG2 4.16Å; L146-V191 HydrophobicContact CD2-CG1 4.23Å; L146-C280 HydrophobicContact CD2-CB 4.48Å; L146-C280 WeakPolarHBondContact CD2-SG 3.47Å; L146-L289 HydrophobicContact CD1-CD1 4.08Å; L146-L289 HydrophobicContact CD2-CD1 4.06Å; L146-L289 HydrophobicContact CG-CD1 4.04Å
147	R	87.8	Confident	85.7	Confident	42 Å²	42	38.2 Å²	38.2	16%	0.158	18%	0.182	C	C	.	.	H	α-helix	trans	-60.1	-45	175.9	-174.5	177.6	-174.6	127.5	15.1	111.2	V39 F143 W144 L145 A150 D151	V39-R147 VanDerWaalsContact O-CZ 3.27Å; V39-R147 PolarHBondContact O-NH1 3.01Å; V39-R147 PolarHBondContact O-NH2 2.69Å; F143-R147 WeakPolarHBondContact O-CB 3.39Å; F143-R147 PolarHBondContact O-N 3.45Å; W144-R147 PolarHBondContact O-N 2.97Å; L145-R147 VanDerWaalsContact C-N 3.33Å; L145-R147 PolarHBondContact O-N 3.43Å; R147-A150 PolarHBondContact O-N 2.99Å; R147-D151 PolarHBondContact O-N 3.48Å; R147-D151 VanDerWaalsContact O-N 3.11Å
148	R	87.8	Confident	86	Confident	43 Å²	43	34.4 Å²	34.4	16%	0.162	16%	0.161	C	C	.	.	H	α-helix	trans	-67.3	-39.1	177.1	-72.9	-57.3	-161.5	-163	7	112.8	E108 F109 L112 W144 L145 L146 A150 D151 I152	E108-R148 IonicContact OE1-CZ 3.89Å; E108-R148 VanDerWaalsContact OE1-CZ 3.31Å; E108-R148 IonicContact OE1-NE 2.77Å; E108-R148 PolarHBondContact OE1-NE 3.23Å; E108-R148 IonicContact OE1-NH2 3.29Å; E108-R148 PolarHBondContact OE1-NH2 3.01Å; E108-R148 IonicContact OE2-NH2 2.99Å; F109-R148 HydrophobicContact CE1-CB 3.89Å; F109-R148 HydrophobicContact CZ-CB 3.65Å; L112-R148 HydrophobicContact CD1-CG 4.03Å; W144-R148 WeakPolarHBondContact O-CB 3.31Å; W144-R148 VanDerWaalsContact O-CG 3.27Å; W144-R148 WeakPolarHBondContact O-CG 3.23Å; W144-R148 PolarHBondContact O-N 2.94Å; L145-R148 PolarHBondContact O-N 2.86Å; L146-R148 VanDerWaalsContact C-N 3.33Å; L146-R148 PolarHBondContact O-N 3.26Å; R148-A150 VanDerWaalsContact C-N 3.33Å; R148-D151 PolarHBondContact O-N 3.08Å; R148-I152 WeakPolarHBondContact O-CG1 3.45Å; R148-I152 PolarHBondContact O-N 3.08Å
149	L	88.7	Confident	86.2	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62.2	-41.2	173.9	-74.1	173.6	0	0	0	111.4	F109 L145 L146 D151 I152 A153 L291 L413	F109-L149 HydrophobicContact CE1-CD2 3.87Å; F109-L149 HydrophobicContact CE1-CG 4.12Å; L145-L149 HydrophobicContact CD1-CD1 4.39Å; L145-L149 HydrophobicContact CD1-CG 4.43Å; L145-L149 HydrophobicContact CG-CD1 4.05Å; L145-L149 HydrophobicContact CG-CG 4.44Å; L145-L149 WeakPolarHBondContact O-CB 3.46Å; L145-L149 WeakPolarHBondContact O-CG 3.3Å; L145-L149 PolarHBondContact O-N 2.69Å; L146-L149 PolarHBondContact O-N 2.68Å; L149-D151 VanDerWaalsContact C-N 3.29Å; L149-D151 PolarHBondContact O-N 3.18Å; L149-I152 PolarHBondContact O-N 3.16Å; L149-A153 VanDerWaalsContact O-CB 3.24Å; L149-A153 WeakPolarHBondContact O-CB 2.87Å; L149-A153 PolarHBondContact O-N 2.95Å; L149-L291 HydrophobicContact CD1-CD1 4.14Å; L149-L291 HydrophobicContact CD1-CD2 4.47Å; L149-L413 HydrophobicContact CD2-CD2 3.61Å
150	A	87.4	Confident	86.4	Confident	12 Å²	12	32.3 Å²	32.3	10%	0.099	15%	0.15	C	C	.	.	H	α-helix	trans	-64.7	-31.9	175.8	0	0	0	0	0	112.9	L146 R147 R148 P154	L146-A150 WeakPolarHBondContact O-CB 3.18Å; L146-A150 PolarHBondContact O-N 3.42Å; R147-A150 PolarHBondContact O-N 2.99Å; R148-A150 VanDerWaalsContact C-N 3.33Å; A150-P154 WeakPolarHBondContact O-CD 2.98Å; A150-P154 WeakPolarHBondContact O-CG 3.29Å
151	D	87.1	Confident	86.4	Confident	21 Å²	21	28.1 Å²	28.1	11%	0.112	13%	0.128	C	C	.	.	H	α-helix	trans	-74.1	-32.4	173.7	-72	-27	0	0	0	112.4	S36 R147 R148 L149 I155	S36-D151 WeakPolarHBondContact CB-OD1 3.18Å; S36-D151 PolarHBondContact OG-OD1 3.3Å; R147-D151 PolarHBondContact O-N 3.48Å; R147-D151 VanDerWaalsContact O-N 3.11Å; R148-D151 PolarHBondContact O-N 3.08Å; L149-D151 VanDerWaalsContact C-N 3.29Å; L149-D151 PolarHBondContact O-N 3.18Å; D151-I155 WeakPolarHBondContact O-CG1 3.34Å
152	I	88.7	Confident	86.3	Confident	2 Å²	2	22.6 Å²	22.6	1%	0.01	11%	0.107	C	C	.	.	H	α-helix	trans	-91.9	-33.9	-175.1	-63.5	-166.5	0	0	0	114.6	L105 F109 R148 L149 I155 A156 L413 L414 A417	L105-I152 HydrophobicContact CD1-CD1 4.21Å; L105-I152 HydrophobicContact CD2-CD1 4.45Å; F109-I152 HydrophobicContact CD2-CD1 4.39Å; F109-I152 HydrophobicContact CE2-CD1 3.21Å; F109-I152 HydrophobicContact CE2-CG1 4.38Å; F109-I152 HydrophobicContact CZ-CD1 3.48Å; F109-I152 VanDerWaalsContact CZ-CD1 3.48Å; F109-I152 HydrophobicContact CZ-CG1 4.23Å; R148-I152 WeakPolarHBondContact O-CG1 3.45Å; R148-I152 PolarHBondContact O-N 3.08Å; L149-I152 PolarHBondContact O-N 3.16Å; I152-I155 HydrophobicContact CB-CD1 4.15Å; I152-I155 HydrophobicContact CG1-CD1 3.95Å; I152-I155 HydrophobicContact CG2-CD1 4.29Å; I152-I155 WeakPolarHBondContact O-CA 3.43Å; I152-I155 WeakPolarHBondContact O-CB 3.32Å; I152-I155 VanDerWaalsContact O-CG1 3.3Å; I152-I155 WeakPolarHBondContact O-CG1 3.48Å; I152-I155 PolarHBondContact O-N 3.11Å; I152-A156 PolarHBondContact O-N 3.31Å; I152-L413 HydrophobicContact CG2-CD2 4.42Å; I152-L413 HydrophobicContact CG2-CG 4.35Å; I152-L414 HydrophobicContact CD1-CD2 3.88Å; I152-L414 HydrophobicContact CG2-CD2 4.31Å; I152-A417 HydrophobicContact CG2-CB 3.95Å
153	A	89.3	Confident	85.8	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-43.8	-178.9	0	0	0	0	0	112.8	L149 I155 A156 G157 F158 W195	L149-A153 VanDerWaalsContact O-CB 3.24Å; L149-A153 WeakPolarHBondContact O-CB 2.87Å; L149-A153 PolarHBondContact O-N 2.95Å; A153-I155 VanDerWaalsContact C-N 3.26Å; A153-I155 PolarHBondContact O-N 2.92Å; A153-A156 CarbonylContact O-C 3.55Å; A153-A156 PolarHBondContact O-N 2.97Å; A153-G157 PolarHBondContact O-N 2.93Å; A153-F158 HydrophobicContact CB-CB 4.12Å; A153-F158 WeakPolarHBondContact O-CB 3.26Å; A153-F158 PolarHBondContact O-N 2.86Å; A153-W195 HydrophobicContact CB-CD2 4.37Å; A153-W195 HydrophobicContact CB-CG 3.99Å
154	P	87.1	Confident	85.3	Confident	76 Å²	76	25.5 Å²	25.5	49%	0.494	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-31	174.3	-24.1	35.6	0	0	0	113.9	A150 A156 G157 F158	A150-P154 WeakPolarHBondContact O-CD 2.98Å; A150-P154 WeakPolarHBondContact O-CG 3.29Å; P154-A156 VanDerWaalsContact C-N 3.35Å; P154-G157 WeakPolarHBondContact O-CA 3.45Å; P154-G157 PolarHBondContact O-N 3.04Å; P154-F158 WeakPolarHBondContact CA-O 3.18Å
155	I	86.8	Confident	84.7	Confident	10 Å²	10	20.7 Å²	20.7	5%	0.051	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-44.8	176.8	-42.9	179.3	0	0	0	110.4	D151 I152 A153 G157 A417 Q420 E421 R500	D151-I155 WeakPolarHBondContact O-CG1 3.34Å; I152-I155 HydrophobicContact CB-CD1 4.15Å; I152-I155 HydrophobicContact CG1-CD1 3.95Å; I152-I155 HydrophobicContact CG2-CD1 4.29Å; I152-I155 WeakPolarHBondContact O-CA 3.43Å; I152-I155 WeakPolarHBondContact O-CB 3.32Å; I152-I155 VanDerWaalsContact O-CG1 3.3Å; I152-I155 WeakPolarHBondContact O-CG1 3.48Å; I152-I155 PolarHBondContact O-N 3.11Å; A153-I155 VanDerWaalsContact C-N 3.26Å; A153-I155 PolarHBondContact O-N 2.92Å; I155-G157 PolarHBondContact O-N 3.19Å; I155-G157 VanDerWaalsContact O-N 3.11Å; I155-A417 HydrophobicContact CB-CB 4.08Å; I155-A417 HydrophobicContact CG2-CB 4.03Å; I155-Q420 WeakPolarHBondContact O-CB 3.28Å; I155-Q420 WeakPolarHBondContact O-CG 3.4Å; I155-E421 HydrophobicContact CG2-CB 4.2Å; I155-E421 VanDerWaalsContact CG2-OE2 3.3Å; I155-E421 WeakPolarHBondContact CG2-OE2 3.46Å; I155-R500 VanDerWaalsContact CG1-CZ 3.45Å
156	A	87.5	Confident	84.1	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	4.6	174.4	0	0	0	0	0	112.7	I152 A153 P154 F158 R197 L413 L416 A417	I152-A156 PolarHBondContact O-N 3.31Å; A153-A156 CarbonylContact O-C 3.55Å; A153-A156 PolarHBondContact O-N 2.97Å; P154-A156 VanDerWaalsContact C-N 3.35Å; A156-F158 VanDerWaalsContact C-N 3.33Å; A156-F158 HydrophobicContact CB-CD2 3.59Å; A156-F158 HydrophobicContact CB-CE2 3.73Å; A156-R197 WeakPolarHBondContact O-CD 3.45Å; A156-R197 PolarHBondContact O-NH1 3.48Å; A156-L413 HydrophobicContact CB-CD1 3.7Å; A156-L416 HydrophobicContact CB-CB 4.04Å; A156-A417 HydrophobicContact CB-CB 3.91Å
157	G	85	Confident	83.5	Confident	2 Å²	2	25.2 Å²	25.2	2%	0.021	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	24.9	179.1	0	0	0	0	0	113.6	A153 P154 I155	A153-G157 PolarHBondContact O-N 2.93Å; P154-G157 WeakPolarHBondContact O-CA 3.45Å; P154-G157 PolarHBondContact O-N 3.04Å; I155-G157 PolarHBondContact O-N 3.19Å; I155-G157 VanDerWaalsContact O-N 3.11Å
158	F	87.8	Confident	82.8	Confident	4 Å²	4	29.2 Å²	29.2	2%	0.018	14%	0.144	C	C	.	.			trans	-86.6	146.5	168.6	-68.1	-96.6	0	0	0	111.4	A153 P154 A156 W195 I196 R197 R276 L278 L293 L413 L416	A153-F158 HydrophobicContact CB-CB 4.12Å; A153-F158 WeakPolarHBondContact O-CB 3.26Å; A153-F158 PolarHBondContact O-N 2.86Å; P154-F158 WeakPolarHBondContact CA-O 3.18Å; A156-F158 VanDerWaalsContact C-N 3.33Å; A156-F158 HydrophobicContact CB-CD2 3.59Å; A156-F158 HydrophobicContact CB-CE2 3.73Å; F158-W195 HydrophobicContact CB-CB 3.87Å; F158-W195 HydrophobicContact CD1-CB 3.91Å; F158-W195 WeakPolarHBondContact CD1-O 3.44Å; F158-W195 HydrophobicContact CG-CB 4.17Å; F158-I196 CarbonylContact C-O 3.4Å; F158-I196 VanDerWaalsContact CA-O 3.3Å; F158-I196 WeakPolarHBondContact CA-O 3.45Å; F158-R197 HydrophobicContact CD1-CB 3.49Å; F158-R197 VanDerWaalsContact CD1-CB 3.49Å; F158-R197 HydrophobicContact CD2-CB 4.38Å; F158-R197 HydrophobicContact CE1-CB 3.6Å; F158-R197 HydrophobicContact CE2-CB 4.47Å; F158-R197 HydrophobicContact CG-CB 3.91Å; F158-R197 HydrophobicContact CZ-CB 4.11Å; F158-R276 HydrophobicContact CE1-CB 4.06Å; F158-R276 HydrophobicContact CZ-CB 4.19Å; F158-L278 HydrophobicContact CD1-CB 4.36Å; F158-L278 HydrophobicContact CE1-CB 4.02Å; F158-L293 HydrophobicContact CE1-CD1 4.35Å; F158-L293 HydrophobicContact CZ-CD1 4.1Å; F158-L413 HydrophobicContact CD2-CD1 3.71Å; F158-L413 HydrophobicContact CE2-CD1 3.37Å; F158-L413 HydrophobicContact CZ-CD1 4.21Å; F158-L416 HydrophobicContact CE2-CD1 4.02Å; F158-L416 HydrophobicContact CZ-CD1 4.11Å
159	I	84.6	Confident	81.9	Confident	41 Å²	41	27.2 Å²	27.2	21%	0.21	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	128.3	172.4	-58.7	-176.7	0	0	0	108.5	F54 K57 W195 I196	F54-I159 HydrophobicContact CD2-CG2 4.22Å; F54-I159 HydrophobicContact CE2-CG2 3.63Å; F54-I159 HydrophobicContact CZ-CG2 4.47Å; K57-I159 HydrophobicContact CB-CD1 4.3Å; K57-I159 WeakPolarHBondContact O-CD1 3.47Å; I159-W195 CarbonylContact O-C 3.38Å; I159-W195 WeakPolarHBondContact O-CA 3.31Å; I159-I196 HydrophobicContact CB-CG1 4.49Å; I159-I196 PolarHBondContact N-O 3.4Å; I159-I196 PolarHBondContact O-N 2.94Å
160	E	83.9	Confident	80.9	Confident	35 Å²	35	27.5 Å²	27.5	16%	0.164	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	133	173.2	-171.5	169.9	-164.3	0	0	110.5	P48 R193 F194	P48-E160 HydrophobicContact CB-CG 4.49Å; E160-R193 WeakPolarHBondContact OE1-CD 3.34Å; E160-R193 IonicContact OE1-CZ 2.94Å; E160-R193 VanDerWaalsContact OE1-CZ 3.3Å; E160-R193 IonicContact OE1-NE 2.75Å; E160-R193 IonicContact OE1-NH1 3.31Å; E160-R193 PolarHBondContact OE1-NH1 3Å; E160-R193 IonicContact OE2-NH1 3.78Å; E160-R193 PolarHBondContact OE2-NH1 3.38Å; E160-F194 WeakPolarHBondContact CA-O 3.5Å
161	I	82.7	Confident	80	Confident	4 Å²	4	32.2 Å²	32.2	2%	0.021	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-75.9	127.9	174.1	-67.2	171.4	0	0	0	109.1	F54 Q165 L166 F194 I196 A309 L312	F54-I161 HydrophobicContact CE2-CG1 4.26Å; F54-I161 HydrophobicContact CZ-CG1 4.15Å; I161-Q165 HydrophobicContact CG2-CB 4.05Å; I161-L166 HydrophobicContact CG2-CB 4.41Å; I161-F194 HydrophobicContact CD1-CB 3.9Å; I161-F194 HydrophobicContact CG1-CB 4.49Å; I161-F194 PolarHBondContact N-O 2.81Å; I161-I196 HydrophobicContact CD1-CG2 3.69Å; I161-I196 HydrophobicContact CG1-CG1 4.36Å; I161-I196 HydrophobicContact CG1-CG2 4.3Å; I161-A309 HydrophobicContact CD1-CB 4.17Å; I161-A309 HydrophobicContact CG2-CB 4.33Å; I161-L312 HydrophobicContact CD1-CD1 3.14Å
162	P	80.3	Confident	78.6	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.006	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-72.9	154.6	-178.8	32.5	-38.6	0	0	0	111.6	F54 H164 Q165 L166	F54-P162 HydrophobicContact CB-CG 3.95Å; F54-P162 HydrophobicContact CD2-CG 4.13Å; F54-P162 HydrophobicContact CG-CG 4.3Å; P162-H164 VanDerWaalsContact C-N 3.27Å; P162-H164 VanDerWaalsContact CB-CE1 3.5Å; P162-H164 WeakPolarHBondContact CB-CE1 3.23Å; P162-H164 WeakPolarHBondContact CG-CE1 3.41Å; P162-H164 PolarHBondContact O-N 3.06Å; P162-Q165 HydrophobicContact CG-CB 4.25Å; P162-Q165 HydrophobicContact CG-CG 3.95Å; P162-Q165 PolarHBondContact O-N 3.02Å; P162-Q165 VanDerWaalsContact O-N 3.11Å; P162-L166 PolarHBondContact O-N 3.4Å
163	Q	73.9	Confident	77.1	Confident	46 Å²	46	36.4 Å²	36.4	22%	0.215	19%	0.189	C	C	.	.	H	α-helix	trans	-56.9	-39.7	-174.4	-164.8	-179.6	12.7	0	0	113.3	P48 Q165 L166 Q167	P48-Q163 HydrophobicContact CB-CB 4.45Å; P48-Q163 HydrophobicContact CG-CB 3.77Å; P48-Q163 HydrophobicContact CG-CG 4.15Å; Q163-Q165 VanDerWaalsContact C-N 3.28Å; Q163-Q165 PolarHBondContact O-N 3.38Å; Q163-L166 PolarHBondContact O-N 2.92Å; Q163-Q167 HydrophobicContact CG-CG 4.19Å; Q163-Q167 WeakPolarHBondContact O-CB 2.92Å; Q163-Q167 WeakPolarHBondContact O-CG 3.49Å; Q163-Q167 PolarHBondContact O-N 3.49Å
164	H	73.4	Confident	75.2	Confident	62 Å²	62	44 Å²	44	29%	0.287	22%	0.223	S	C	.	.	H	α-helix	trans	-65.3	-31.3	-176.9	68.1	-94	0	0	0	112.6	T52 P162 K168	T52-H164 PolarHBondContact O-CE1 3.48Å; P162-H164 VanDerWaalsContact C-N 3.27Å; P162-H164 VanDerWaalsContact CB-CE1 3.5Å; P162-H164 WeakPolarHBondContact CB-CE1 3.23Å; P162-H164 WeakPolarHBondContact CG-CE1 3.41Å; P162-H164 PolarHBondContact O-N 3.06Å; H164-K168 WeakPolarHBondContact O-CB 3.26Å; H164-K168 WeakPolarHBondContact O-CD 3.18Å; H164-K168 WeakPolarHBondContact O-CG 3.46Å; H164-K168 PolarHBondContact O-N 3.3Å
165	Q	74.6	Confident	73.4	Confident	27 Å²	27	41 Å²	41	13%	0.126	20%	0.203	C	C	.	.	H	α-helix	trans	-76.8	-41.1	174.8	-70.3	-169.2	-14.9	0	0	110.9	F54 I161 P162 Q163 K168 A169	F54-Q165 VanDerWaalsContact CB-NE2 3.35Å; I161-Q165 HydrophobicContact CG2-CB 4.05Å; P162-Q165 HydrophobicContact CG-CB 4.25Å; P162-Q165 HydrophobicContact CG-CG 3.95Å; P162-Q165 PolarHBondContact O-N 3.02Å; P162-Q165 VanDerWaalsContact O-N 3.11Å; Q163-Q165 VanDerWaalsContact C-N 3.28Å; Q163-Q165 PolarHBondContact O-N 3.38Å; Q165-K168 PolarHBondContact O-N 3.36Å; Q165-A169 WeakPolarHBondContact O-CB 3.48Å; Q165-A169 PolarHBondContact O-N 3.14Å
166	L	75	Confident	71.6	Confident	10 Å²	10	46.7 Å²	46.7	5%	0.052	23%	0.228	C	C	.	.	H	α-helix	trans	-63	-43.9	177.3	-171.2	137.9	0	0	0	111.8	I161 P162 Q163 K168 A169 C170 L192 F194	I161-L166 HydrophobicContact CG2-CB 4.41Å; P162-L166 PolarHBondContact O-N 3.4Å; Q163-L166 PolarHBondContact O-N 2.92Å; L166-K168 VanDerWaalsContact C-N 3.34Å; L166-K168 PolarHBondContact O-N 3.12Å; L166-A169 WeakPolarHBondContact O-CB 3.43Å; L166-A169 PolarHBondContact O-N 2.99Å; L166-C170 PolarHBondContact O-N 3.1Å; L166-C170 PolarHBondContact O-SG 3.47Å; L166-L192 HydrophobicContact CD1-CD2 4.3Å; L166-L192 HydrophobicContact CD1-CG 3.95Å; L166-L192 HydrophobicContact CD2-CD2 3.53Å; L166-L192 HydrophobicContact CD2-CG 3.98Å; L166-L192 HydrophobicContact CG-CD2 4.43Å; L166-F194 HydrophobicContact CD1-CD2 3.58Å; L166-F194 HydrophobicContact CD1-CE2 4.03Å
167	Q	74.3	Confident	69.6	Low	92 Å²	92	51 Å²	51	43%	0.43	25%	0.248	S	C	.	.	H	α-helix	trans	-63.5	-39.1	174.4	-74.7	177	-9.3	0	0	112.2	Q163 A169 C170 N171	Q163-Q167 HydrophobicContact CG-CG 4.19Å; Q163-Q167 WeakPolarHBondContact O-CB 2.92Å; Q163-Q167 WeakPolarHBondContact O-CG 3.49Å; Q163-Q167 PolarHBondContact O-N 3.49Å; Q167-A169 VanDerWaalsContact C-N 3.33Å; Q167-C170 PolarHBondContact O-N 2.79Å; Q167-N171 PolarHBondContact O-N 2.92Å
168	K	72	Confident	68	Low	126 Å²	126	52 Å²	52	55%	0.548	25%	0.252	S	S	.	.	H	α-helix	trans	-63.5	-40.4	174	-79.8	174.9	-176.4	-175.9	0	111.7	H164 Q165 L166 N171 T307	H164-K168 WeakPolarHBondContact O-CB 3.26Å; H164-K168 WeakPolarHBondContact O-CD 3.18Å; H164-K168 WeakPolarHBondContact O-CG 3.46Å; H164-K168 PolarHBondContact O-N 3.3Å; Q165-K168 PolarHBondContact O-N 3.36Å; L166-K168 VanDerWaalsContact C-N 3.34Å; L166-K168 PolarHBondContact O-N 3.12Å; K168-N171 WeakPolarHBondContact O-CB 3.36Å; K168-N171 PolarHBondContact O-N 3.34Å; K168-N171 PolarHBondContact O-ND2 3.43Å; K168-T307 HydrophobicContact CB-CG2 3.6Å; K168-T307 HydrophobicContact CD-CG2 4.34Å
169	A	70.4	Confident	66.4	Low	1 Å²	1	54.6 Å²	54.6	1%	0.008	28%	0.28	C	S	.	.	H	α-helix	trans	-64	-40.2	174.4	0	0	0	0	0	111.5	Q165 L166 Q167 N171 I173 T307 A309 L313	Q165-A169 WeakPolarHBondContact O-CB 3.48Å; Q165-A169 PolarHBondContact O-N 3.14Å; L166-A169 WeakPolarHBondContact O-CB 3.43Å; L166-A169 PolarHBondContact O-N 2.99Å; Q167-A169 VanDerWaalsContact C-N 3.33Å; A169-N171 PolarHBondContact O-N 2.75Å; A169-I173 WeakPolarHBondContact O-CD1 3.37Å; A169-T307 WeakPolarHBondContact CB-OG1 3.32Å; A169-A309 HydrophobicContact CB-CB 4.09Å; A169-L313 HydrophobicContact CB-CD1 3.66Å; A169-L313 HydrophobicContact CB-CG 4.2Å; A169-L313 WeakPolarHBondContact O-CD1 3.44Å
170	C	67.9	Low	65.2	Low	5 Å²	5	53.1 Å²	53.1	3%	0.034	27%	0.272	C	S	.	.	H	α-helix	trans	-62.9	-23.6	-179.7	-71.9	0	0	0	0	112.9	L166 Q167 S172 V184	L166-C170 PolarHBondContact O-N 3.1Å; L166-C170 PolarHBondContact O-SG 3.47Å; Q167-C170 PolarHBondContact O-N 2.79Å; C170-S172 PolarHBondContact O-N 3.42Å; C170-V184 HydrophobicContact CB-CB 4.41Å
171	N	67.6	Low	64.3	Low	111 Å²	111	53 Å²	53	59%	0.594	27%	0.272	S	S	*	.	S	Bend	trans	-59.2	137.8	174	-67.3	-37.5	0	0	0	110.4	Q167 K168 A169 I173	Q167-N171 PolarHBondContact O-N 2.92Å; K168-N171 WeakPolarHBondContact O-CB 3.36Å; K168-N171 PolarHBondContact O-N 3.34Å; K168-N171 PolarHBondContact O-ND2 3.43Å; A169-N171 PolarHBondContact O-N 2.75Å; N171-I173 WeakPolarHBondContact O-CG1 3.44Å; N171-I173 PolarHBondContact O-N 2.91Å
172	S	57	Low	63.6	Low	71 Å²	71	53 Å²	53	50%	0.497	27%	0.273	S	S	.	.			trans	-48.2	112.1	-166.9	74.5	0	0	0	0	114.1	C170	C170-S172 PolarHBondContact O-N 3.42Å
173	I	57.6	Low	63.1	Low	40 Å²	40	56.4 Å²	56.4	21%	0.205	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	120.5	178.8	-60.6	166.2	0	0	0	108	A169 N171 S175 I181 A182 D310 L313	A169-I173 WeakPolarHBondContact O-CD1 3.37Å; N171-I173 WeakPolarHBondContact O-CG1 3.44Å; N171-I173 PolarHBondContact O-N 2.91Å; I173-S175 PolarHBondContact O-N 3Å; I173-S175 VanDerWaalsContact O-N 3.08Å; I173-I181 WeakPolarHBondContact O-CA 3.06Å; I173-I181 VanDerWaalsContact O-CG2 3.23Å; I173-I181 WeakPolarHBondContact O-CG2 3.03Å; I173-A182 PolarHBondContact N-O 2.92Å; I173-A182 PolarHBondContact O-N 3.02Å; I173-A182 VanDerWaalsContact O-N 3.11Å; I173-D310 HydrophobicContact CD1-CB 3.75Å; I173-L313 HydrophobicContact CD1-CD1 4.3Å
174	K	49.9	Very low	62.9	Low	161 Å²	161	54.5 Å²	54.5	70%	0.7	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.1	107.5	166.3	-78.5	175.4	179.4	-179.9	0	107.3	K176 I181	K174-K176 PolarHBondContact O-N 3.18Å; K174-K176 VanDerWaalsContact O-N 3.15Å; K174-I181 HydrophobicContact CG-CD1 3.86Å; K174-I181 HydrophobicContact CG-CG1 3.79Å
175	S	50.3	Low	62.9	Low	12 Å²	12	53.3 Å²	53.3	8%	0.084	27%	0.274	C	S	.	.			trans	-62	120.2	164.1	72	0	0	0	0	106.9	I173 H177 H178 L180	I173-S175 PolarHBondContact O-N 3Å; I173-S175 VanDerWaalsContact O-N 3.08Å; S175-H177 PolarHBondContact O-N 2.98Å; S175-H178 WeakPolarHBondContact OG-CB 3.41Å; S175-L180 WeakPolarHBondContact CB-O 3.46Å; S175-L180 PolarHBondContact N-O 2.93Å; S175-L180 VanDerWaalsContact N-O 3.12Å; S175-L180 PolarHBondContact OG-O 2.93Å
176	K	47.2	Very low	62.7	Low	129 Å²	129	54.9 Å²	54.9	56%	0.561	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-34.2	179.2	-78.4	-176.6	174.1	-176	0	110.6	K174 E268	K174-K176 PolarHBondContact O-N 3.18Å; K174-K176 VanDerWaalsContact O-N 3.15Å; K176-E268 IonicContact NZ-OE1 3.62Å; K176-E268 PolarHBondContact NZ-OE1 3.42Å; K176-E268 IonicContact NZ-OE2 3.57Å; K176-E268 PolarHBondContact NZ-OE2 3.31Å
177	H	47.3	Very low	62.8	Low	91 Å²	91	59.6 Å²	59.6	42%	0.421	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-25.3	-166.3	-60	60.2	0	0	0	114.4	S175 S264 T267	S175-H177 PolarHBondContact O-N 2.98Å; H177-S264 PolarHBondContact CD2-O 3.21Å; H177-S264 PolarHBondContact CE1-O 2.85Å; H177-S264 PolarHBondContact ND1-O 3.24Å; H177-S264 PolarHBondContact NE2-O 3.33Å; H177-T267 PolarHBondContact NE2-OG1 2.83Å
178	H	50.2	Low	63.1	Low	24 Å²	24	56.9 Å²	56.9	11%	0.111	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-7.1	-176.4	-53	-36.4	0	0	0	113.4	S175 L180 N393	S175-H178 WeakPolarHBondContact OG-CB 3.41Å; H178-L180 PolarHBondContact O-N 2.81Å; H178-N393 PolarHBondContact CE1-ND2 2.8Å; H178-N393 PolarHBondContact NE2-ND2 3.01Å; H178-N393 VanDerWaalsContact NE2-ND2 3.1Å
179	G	55	Low	63.6	Low	58 Å²	58	51.5 Å²	51.5	60%	0.598	28%	0.276	S	S	*	.	S	Bend	trans	66.2	0.1	-177.2	0	0	0	0	0	114.2
180	L	59.1	Low	64.1	Low	9 Å²	9	53.8 Å²	53.8	5%	0.047	29%	0.288	C	S	.	.			trans	-95.3	143.9	173.5	-73.2	168.8	0	0	0	109.7	S175 H178 T321 I322 Y383 A386 Q387 L390	S175-L180 WeakPolarHBondContact CB-O 3.46Å; S175-L180 PolarHBondContact N-O 2.93Å; S175-L180 VanDerWaalsContact N-O 3.12Å; S175-L180 PolarHBondContact OG-O 2.93Å; H178-L180 PolarHBondContact O-N 2.81Å; L180-T321 HydrophobicContact CD1-CG2 4.47Å; L180-I322 WeakPolarHBondContact CD2-O 3.41Å; L180-Y383 HydrophobicContact CD2-CD2 3.88Å; L180-Y383 HydrophobicContact CD2-CE2 3.84Å; L180-A386 HydrophobicContact CD1-CB 3.48Å; L180-A386 VanDerWaalsContact CD1-CB 3.48Å; L180-A386 HydrophobicContact CG-CB 3.77Å; L180-Q387 HydrophobicContact CD1-CB 4.46Å; L180-L390 HydrophobicContact CD1-CD1 4.49Å
181	I	65	Low	64.8	Low	32 Å²	32	53.6 Å²	53.6	16%	0.164	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	108.6	170.7	-51.4	179.5	0	0	0	105.7	I173 K174 I322	I173-I181 WeakPolarHBondContact O-CA 3.06Å; I173-I181 VanDerWaalsContact O-CG2 3.23Å; I173-I181 WeakPolarHBondContact O-CG2 3.03Å; K174-I181 HydrophobicContact CG-CD1 3.86Å; K174-I181 HydrophobicContact CG-CG1 3.79Å; I181-I322 HydrophobicContact CB-CB 4.1Å; I181-I322 HydrophobicContact CB-CD1 3.85Å; I181-I322 HydrophobicContact CB-CG1 4.35Å; I181-I322 HydrophobicContact CD1-CD1 4.36Å; I181-I322 HydrophobicContact CG2-CD1 3.79Å; I181-I322 PolarHBondContact O-N 3.19Å
182	A	67.7	Low	65.7	Low	6 Å²	6	49.1 Å²	49.1	5%	0.05	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	135.5	171.2	0	0	0	0	0	107.6	I173 Y314 R320 L390	I173-A182 PolarHBondContact N-O 2.92Å; I173-A182 PolarHBondContact O-N 3.02Å; I173-A182 VanDerWaalsContact O-N 3.11Å; A182-Y314 HydrophobicContact CB-CE1 4.13Å; A182-R320 WeakPolarHBondContact CA-O 3.33Å; A182-L390 HydrophobicContact CB-CD1 4.41Å
183	Y	68.8	Low	67.1	Low	72 Å²	72	45.9 Å²	45.9	28%	0.282	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	154.6	174.1	74.7	-78	0	0	0	109.3	R320 I322	Y183-R320 HydrophobicContact CD1-CB 4.04Å; Y183-R320 WeakPolarHBondContact CD1-O 3.3Å; Y183-R320 HydrophobicContact CD2-CB 4.44Å; Y183-R320 HydrophobicContact CE1-CB 3.61Å; Y183-R320 HydrophobicContact CE2-CB 4.05Å; Y183-R320 HydrophobicContact CG-CB 4.45Å; Y183-R320 PolarHBondContact N-O 2.84Å; Y183-R320 WeakPolarHBondContact O-CB 3.37Å; Y183-R320 PolarHBondContact O-N 3.44Å; Y183-R320 VanDerWaalsContact O-N 3.1Å; Y183-I322 HydrophobicContact CD1-CD1 4.09Å; Y183-I322 HydrophobicContact CD1-CG1 3.58Å; Y183-I322 HydrophobicContact CE1-CD1 4.41Å; Y183-I322 HydrophobicContact CE1-CG1 3.54Å
184	V	70.7	Confident	68.5	Low	5 Å²	5	44.1 Å²	44.1	3%	0.03	23%	0.231	C	C	.	.			trans	-114.8	122.7	177.2	-180	0	0	0	0	106.4	C170 P186 Y189 L313 L316 L319	C170-V184 HydrophobicContact CB-CB 4.41Å; V184-P186 WeakPolarHBondContact O-CD 3.4Å; V184-Y189 HydrophobicContact CG1-CD2 4.28Å; V184-Y189 HydrophobicContact CG1-CE2 3.67Å; V184-L313 HydrophobicContact CG2-CB 4.07Å; V184-L313 HydrophobicContact CG2-CD1 4.25Å; V184-L313 HydrophobicContact CG2-CD2 4.24Å; V184-L313 HydrophobicContact CG2-CG 4.43Å; V184-L316 HydrophobicContact CB-CD1 4.5Å; V184-L316 HydrophobicContact CG1-CD1 3.8Å; V184-L316 HydrophobicContact CG2-CD1 4Å; V184-L319 HydrophobicContact CG2-CD2 3.48Å; V184-L319 VanDerWaalsContact CG2-CD2 3.48Å
185	D	72.4	Confident	70.4	Confident	38 Å²	38	36.6 Å²	36.6	20%	0.203	20%	0.198	C	C	.	.			trans	-79.1	114.1	170.8	-164.3	-11.4	0	0	0	107.7	D187 D188 R320	D185-D187 PolarHBondContact O-N 3.07Å; D185-D187 WeakPolarHBondContact OD1-CB 3.3Å; D185-D187 PolarHBondContact OD1-N 3.26Å; D185-D188 PolarHBondContact O-N 2.91Å; D185-D188 VanDerWaalsContact O-N 3.15Å; D185-R320 IonicContact OD2-CZ 3.19Å; D185-R320 IonicContact OD2-NH1 2.66Å; D185-R320 PolarHBondContact OD2-NH1 3.42Å; D185-R320 IonicContact OD2-NH2 2.98Å
186	P	72.4	Confident	72.1	Confident	60 Å²	60	36.4 Å²	36.4	39%	0.39	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-60.7	-23.8	177.3	26.6	-34.8	0	0	0	111.6	V184 D188 Y189	V184-P186 WeakPolarHBondContact O-CD 3.4Å; P186-D188 PolarHBondContact O-N 3.29Å; P186-Y189 PolarHBondContact O-N 2.84Å
187	D	76.5	Confident	73.9	Confident	108 Å²	108	31 Å²	31	58%	0.578	17%	0.172	S	C	*	.	G	3₁₀ helix	trans	-70	-13.5	178.9	-72.2	-32.1	0	0	0	113.8	D185 Y189 K284	D185-D187 PolarHBondContact O-N 3.07Å; D185-D187 WeakPolarHBondContact OD1-CB 3.3Å; D185-D187 PolarHBondContact OD1-N 3.26Å; D187-Y189 PolarHBondContact O-N 3.25Å; D187-K284 WeakPolarHBondContact O-CD 3.4Å; D187-K284 WeakPolarHBondContact O-CE 3.47Å; D187-K284 PolarHBondContact O-NZ 3.09Å
188	D	79.8	Confident	75.2	Confident	35 Å²	35	27 Å²	27	19%	0.187	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-74.7	-14.4	176.3	-77.3	-22.8	0	0	0	113	D185 P186 K284 R320	D185-D188 PolarHBondContact O-N 2.91Å; D185-D188 VanDerWaalsContact O-N 3.15Å; P186-D188 PolarHBondContact O-N 3.29Å; D188-K284 PolarHBondContact O-N 3.3Å; D188-K284 VanDerWaalsContact O-N 3.13Å; D188-R320 IonicContact OD1-CZ 2.85Å; D188-R320 IonicContact OD1-NH2 2.79Å; D188-R320 PolarHBondContact OD1-NH2 2.95Å; D188-R320 IonicContact OD2-CZ 2.8Å; D188-R320 IonicContact OD2-NE 2.72Å; D188-R320 PolarHBondContact OD2-NE 3.15Å; D188-R320 IonicContact OD2-NH2 3.3Å; D188-R320 PolarHBondContact OD2-NH2 3.5Å
189	Y	82.5	Confident	76.2	Confident	14 Å²	14	26.4 Å²	26.4	6%	0.055	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	139	-170.7	-61.1	-81.2	0	0	0	112	V184 P186 D187 L192 V281 R283 P317 N318	V184-Y189 HydrophobicContact CG1-CD2 4.28Å; V184-Y189 HydrophobicContact CG1-CE2 3.67Å; P186-Y189 PolarHBondContact O-N 2.84Å; D187-Y189 PolarHBondContact O-N 3.25Å; Y189-L192 HydrophobicContact CD2-CD2 4.29Å; Y189-L192 HydrophobicContact CG-CD2 4.41Å; Y189-V281 HydrophobicContact CD1-CG1 3.39Å; Y189-V281 HydrophobicContact CE1-CG1 3.39Å; Y189-R283 HydrophobicContact CD1-CG 4.07Å; Y189-R283 HydrophobicContact CE1-CG 3.93Å; Y189-P317 HydrophobicContact CE1-CG 4.47Å; Y189-N318 WeakPolarHBondContact OH-CB 3.49Å; Y189-N318 PolarHBondContact OH-N 3.28Å; Y189-N318 PolarHBondContact OH-O 2.96Å
190	D	80.8	Confident	76.7	Confident	48 Å²	48	25.8 Å²	25.8	26%	0.257	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-36.1	172.8	-93.2	-7.8	0	0	0	112	R282 K284	D190-R282 PolarHBondContact N-O 2.78Å; D190-R282 IonicContact OD2-CZ 3.91Å; D190-R282 IonicContact OD2-NE 3.38Å; D190-R282 PolarHBondContact OD2-NE 2.68Å; D190-R282 IonicContact OD2-NH2 2.68Å; D190-R282 PolarHBondContact OD2-NH2 3.46Å; D190-K284 WeakPolarHBondContact OD1-CE 3.38Å; D190-K284 WeakPolarHBondContact OD1-CG 3.42Å
191	V	83.5	Confident	76.9	Confident	2 Å²	2	26 Å²	26	1%	0.012	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	125	176.6	-179.2	0	0	0	0	106.7	L146 V281 R282	L146-V191 HydrophobicContact CD1-CG1 3.89Å; L146-V191 HydrophobicContact CD1-CG2 4.16Å; L146-V191 HydrophobicContact CD2-CG1 4.23Å; V191-V281 CarbonylContact O-C 3.42Å; V191-V281 WeakPolarHBondContact O-CA 3.34Å; V191-R282 HydrophobicContact CB-CB 3.88Å; V191-R282 HydrophobicContact CG2-CB 4.11Å; V191-R282 PolarHBondContact N-O 3.3Å; V191-R282 PolarHBondContact O-N 2.82Å
192	L	85.5	Confident	76.4	Confident	16 Å²	16	27.4 Å²	27.4	8%	0.084	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	100.3	178.6	178.6	55.7	0	0	0	109	L166 Y189 F194 V281 L316	L166-L192 HydrophobicContact CD1-CD2 4.3Å; L166-L192 HydrophobicContact CD1-CG 3.95Å; L166-L192 HydrophobicContact CD2-CD2 3.53Å; L166-L192 HydrophobicContact CD2-CG 3.98Å; L166-L192 HydrophobicContact CG-CD2 4.43Å; Y189-L192 HydrophobicContact CD2-CD2 4.29Å; Y189-L192 HydrophobicContact CG-CD2 4.41Å; L192-F194 HydrophobicContact CD1-CD2 4.35Å; L192-F194 HydrophobicContact CD1-CE2 3.71Å; L192-F194 HydrophobicContact CD1-CZ 4.41Å; L192-V281 HydrophobicContact CD1-CG2 3.83Å; L192-L316 HydrophobicContact CD1-CD1 4.27Å; L192-L316 HydrophobicContact CD1-CD2 3.53Å
193	R	86.4	Confident	75.3	Confident	4 Å²	4	33.7 Å²	33.7	2%	0.015	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	135.7	-178.3	-68.7	-178.4	174	-119.4	-3.5	111.2	S44 I45 N47 E160 W195 C280	S44-R193 PolarHBondContact O-NH2 2.95Å; I45-R193 VanDerWaalsContact CA-NH2 3.26Å; I45-R193 VanDerWaalsContact O-CZ 3.24Å; I45-R193 PolarHBondContact O-NE 3.06Å; I45-R193 PolarHBondContact O-NH2 2.78Å; N47-R193 PolarHBondContact O-NH2 3.33Å; E160-R193 WeakPolarHBondContact OE1-CD 3.34Å; E160-R193 IonicContact OE1-CZ 2.94Å; E160-R193 VanDerWaalsContact OE1-CZ 3.3Å; E160-R193 IonicContact OE1-NE 2.75Å; E160-R193 IonicContact OE1-NH1 3.31Å; E160-R193 PolarHBondContact OE1-NH1 3Å; E160-R193 IonicContact OE2-NH1 3.78Å; E160-R193 PolarHBondContact OE2-NH1 3.38Å; R193-W195 HydrophobicContact CB-CE3 4.38Å; R193-W195 HydrophobicContact CB-CH2 3.62Å; R193-W195 HydrophobicContact CB-CZ2 4.1Å; R193-W195 HydrophobicContact CB-CZ3 3.79Å; R193-W195 HydrophobicContact CG-CH2 4.31Å; R193-C280 HydrophobicContact CB-CB 4.49Å; R193-C280 PolarHBondContact N-O 3Å; R193-C280 PolarHBondContact O-N 3.38Å
194	F	88.3	Confident	73.9	Confident	3 Å²	3	37.2 Å²	37.2	1%	0.013	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	133.9	172.6	-72.8	-82.5	0	0	0	109.8	E160 I161 L166 L192 V277 L278 M279 L312 L316	E160-F194 WeakPolarHBondContact CA-O 3.5Å; I161-F194 HydrophobicContact CD1-CB 3.9Å; I161-F194 HydrophobicContact CG1-CB 4.49Å; I161-F194 PolarHBondContact N-O 2.81Å; L166-F194 HydrophobicContact CD1-CD2 3.58Å; L166-F194 HydrophobicContact CD1-CE2 4.03Å; L192-F194 HydrophobicContact CD1-CD2 4.35Å; L192-F194 HydrophobicContact CD1-CE2 3.71Å; L192-F194 HydrophobicContact CD1-CZ 4.41Å; F194-V277 HydrophobicContact CD1-CG1 3.93Å; F194-L278 WeakPolarHBondContact CA-O 3.25Å; F194-M279 HydrophobicContact CD1-CB 3.96Å; F194-M279 HydrophobicContact CD1-CG 4Å; F194-M279 HydrophobicContact CE1-CB 3.79Å; F194-M279 HydrophobicContact CE1-CG 3.47Å; F194-M279 VanDerWaalsContact CE1-CG 3.47Å; F194-M279 HydrophobicContact CE1-SD 3.75Å; F194-M279 HydrophobicContact CZ-CG 3.97Å; F194-M279 HydrophobicContact CZ-SD 3.99Å; F194-L312 HydrophobicContact CD1-CB 4.41Å; F194-L312 HydrophobicContact CE1-CB 4.27Å; F194-L312 HydrophobicContact CZ-CB 4.44Å; F194-L316 HydrophobicContact CE2-CD2 4.15Å; F194-L316 HydrophobicContact CE2-CG 4.47Å; F194-L316 HydrophobicContact CZ-CD2 3.72Å; F194-L316 HydrophobicContact CZ-CG 3.98Å
195	W	89.4	Confident	72.3	Confident	2 Å²	2	40.3 Å²	40.3	1%	0.008	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	121	172.6	-70.7	-81.9	0	0	0	107.9	A153 F158 I159 R193 V277 L278 C280	A153-W195 HydrophobicContact CB-CD2 4.37Å; A153-W195 HydrophobicContact CB-CG 3.99Å; F158-W195 HydrophobicContact CB-CB 3.87Å; F158-W195 HydrophobicContact CD1-CB 3.91Å; F158-W195 WeakPolarHBondContact CD1-O 3.44Å; F158-W195 HydrophobicContact CG-CB 4.17Å; I159-W195 CarbonylContact O-C 3.38Å; I159-W195 WeakPolarHBondContact O-CA 3.31Å; R193-W195 HydrophobicContact CB-CE3 4.38Å; R193-W195 HydrophobicContact CB-CH2 3.62Å; R193-W195 HydrophobicContact CB-CZ2 4.1Å; R193-W195 HydrophobicContact CB-CZ3 3.79Å; R193-W195 HydrophobicContact CG-CH2 4.31Å; W195-V277 CarbonylContact O-C 3.56Å; W195-V277 WeakPolarHBondContact O-CA 3.3Å; W195-L278 HydrophobicContact CB-CB 4.09Å; W195-L278 HydrophobicContact CD2-CD2 4.27Å; W195-L278 HydrophobicContact CE3-CB 4.35Å; W195-L278 HydrophobicContact CE3-CD2 3.74Å; W195-L278 HydrophobicContact CE3-CG 3.94Å; W195-L278 HydrophobicContact CZ3-CD2 4.27Å; W195-L278 PolarHBondContact N-O 2.66Å; W195-L278 PolarHBondContact O-N 2.79Å; W195-C280 HydrophobicContact CH2-CB 4.08Å; W195-C280 HydrophobicContact CZ3-CB 3.53Å
196	I	86.6	Confident	70.2	Confident	8 Å²	8	43.4 Å²	43.4	4%	0.041	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	144.3	179.7	58.4	162	0	0	0	110.6	F54 L56 F158 I159 I161 F274 V277 L312	F54-I196 HydrophobicContact CE1-CD1 4.4Å; F54-I196 HydrophobicContact CZ-CD1 3.66Å; F54-I196 HydrophobicContact CZ-CG1 4.35Å; L56-I196 HydrophobicContact CD1-CD1 4.28Å; L56-I196 HydrophobicContact CG-CD1 4.42Å; F158-I196 CarbonylContact C-O 3.4Å; F158-I196 VanDerWaalsContact CA-O 3.3Å; F158-I196 WeakPolarHBondContact CA-O 3.45Å; I159-I196 HydrophobicContact CB-CG1 4.49Å; I159-I196 PolarHBondContact N-O 3.4Å; I159-I196 PolarHBondContact O-N 2.94Å; I161-I196 HydrophobicContact CD1-CG2 3.69Å; I161-I196 HydrophobicContact CG1-CG1 4.36Å; I161-I196 HydrophobicContact CG1-CG2 4.3Å; I196-F274 HydrophobicContact CB-CD1 4.17Å; I196-F274 HydrophobicContact CB-CE1 4.3Å; I196-F274 HydrophobicContact CD1-CD1 4.21Å; I196-F274 HydrophobicContact CD1-CE1 3.61Å; I196-F274 HydrophobicContact CD1-CZ 4.19Å; I196-F274 HydrophobicContact CG2-CD1 4.33Å; I196-F274 HydrophobicContact CG2-CE1 4.3Å; I196-F274 HydrophobicContact CG2-CE2 4.49Å; I196-F274 HydrophobicContact CG2-CG 4.45Å; I196-F274 HydrophobicContact CG2-CZ 4.38Å; I196-V277 HydrophobicContact CG2-CG1 4.35Å; I196-V277 HydrophobicContact CG2-CG2 4.22Å; I196-L312 HydrophobicContact CG2-CD1 3.84Å
197	R	83.2	Confident	68.2	Low	16 Å²	16	45.3 Å²	45.3	6%	0.06	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	127.5	174.8	172.8	178	169.9	166.3	-9.6	109.9	Y60 A156 F158 S275 R276	Y60-R197 HydrophobicContact CD1-CG 3.98Å; Y60-R197 HydrophobicContact CE1-CG 4.36Å; Y60-R197 HydrophobicContact CG-CG 4.32Å; A156-R197 WeakPolarHBondContact O-CD 3.45Å; A156-R197 PolarHBondContact O-NH1 3.48Å; F158-R197 HydrophobicContact CD1-CB 3.49Å; F158-R197 VanDerWaalsContact CD1-CB 3.49Å; F158-R197 HydrophobicContact CD2-CB 4.38Å; F158-R197 HydrophobicContact CE1-CB 3.6Å; F158-R197 HydrophobicContact CE2-CB 4.47Å; F158-R197 HydrophobicContact CG-CB 3.91Å; F158-R197 HydrophobicContact CZ-CB 4.11Å; R197-S275 WeakPolarHBondContact O-CB 3.41Å; R197-S275 PolarHBondContact O-N 3.47Å; R197-S275 VanDerWaalsContact O-N 3.17Å; R197-R276 HydrophobicContact CB-CB 4.38Å; R197-R276 PolarHBondContact N-O 2.98Å; R197-R276 PolarHBondContact O-N 3.38Å
198	G	74.8	Confident	65.9	Low	7 Å²	7	43.3 Å²	43.3	7%	0.072	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	72.2	142.8	173.2	0	0	0	0	0	114.3	N58 F274 S275	N58-G198 WeakPolarHBondContact OD1-CA 3.45Å; G198-F274 VanDerWaalsContact O-CA 3.26Å; G198-F274 WeakPolarHBondContact O-CA 3.35Å; G198-S275 PolarHBondContact O-N 3.24Å
199	F	72.8	Confident	63.5	Low	11 Å²	11	43.8 Å²	43.8	5%	0.048	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	119.2	174.9	-178.4	-95.3	0	0	0	107.7	L56 N58 F272 Y273 F274 V299 L467	L56-F199 HydrophobicContact CD1-CD2 4.32Å; L56-F199 HydrophobicContact CD2-CB 3.8Å; L56-F199 HydrophobicContact CD2-CG 4.23Å; N58-F199 PolarHBondContact OD1-N 3.32Å; F199-F272 HydrophobicContact CD1-CD1 4.04Å; F199-F272 HydrophobicContact CD2-CB 4.28Å; F199-F272 HydrophobicContact CE1-CB 4.01Å; F199-F272 AromaticContact CE1-CD1 3.2Å; F199-F272 HydrophobicContact CE1-CD1 3.2Å; F199-F272 HydrophobicContact CE1-CD2 4.1Å; F199-F272 AromaticContact CE1-CE1 3.58Å; F199-F272 HydrophobicContact CE1-CE1 3.58Å; F199-F272 HydrophobicContact CE1-CE2 4.41Å; F199-F272 AromaticContact CE1-CG 3.52Å; F199-F272 HydrophobicContact CE1-CG 3.52Å; F199-F272 HydrophobicContact CE1-CZ 4.19Å; F199-F272 HydrophobicContact CE2-CB 3.44Å; F199-F272 VanDerWaalsContact CE2-CB 3.44Å; F199-F272 HydrophobicContact CE2-CD1 4.27Å; F199-F272 HydrophobicContact CE2-CD2 4.42Å; F199-F272 AromaticContact CE2-CG 3.84Å; F199-F272 HydrophobicContact CE2-CG 3.84Å; F199-F272 HydrophobicContact CZ-CB 3.29Å; F199-F272 AromaticContact CZ-CD1 3.37Å; F199-F272 HydrophobicContact CZ-CD1 3.37Å; F199-F272 AromaticContact CZ-CD2 3.53Å; F199-F272 HydrophobicContact CZ-CD2 3.53Å; F199-F272 HydrophobicContact CZ-CE1 4.03Å; F199-F272 HydrophobicContact CZ-CE2 4.16Å; F199-F272 AromaticContact CZ-CG 3.1Å; F199-F272 HydrophobicContact CZ-CG 3.1Å; F199-F272 HydrophobicContact CZ-CZ 4.39Å; F199-Y273 WeakPolarHBondContact CA-O 3.18Å; F199-F274 HydrophobicContact CD2-CE1 4.45Å; F199-V299 HydrophobicContact CD2-CG2 4.07Å; F199-V299 HydrophobicContact CE2-CB 4.27Å; F199-V299 HydrophobicContact CE2-CG1 4.23Å; F199-V299 HydrophobicContact CE2-CG2 3.85Å; F199-L467 HydrophobicContact CE1-CD2 3.84Å
200	H	65.3	Low	61	Low	45 Å²	45	46.2 Å²	46.2	21%	0.208	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	147.5	178.8	-61.4	-78.2	0	0	0	110.9	Y60 F272 Y273 F492	Y60-H200 PolarHBondContact OH-CE1 2.78Å; Y60-H200 VanDerWaalsContact OH-CE1 3.31Å; Y60-H200 PolarHBondContact OH-NE2 3.22Å; H200-F272 WeakPolarHBondContact O-CA 3.42Å; H200-Y273 PolarHBondContact N-O 3.19Å; H200-Y273 PolarHBondContact O-N 2.94Å; H200-F492 AromaticContact CE1-CE1 3.52Å; H200-F492 AromaticContact ND1-CE1 3.57Å; H200-F492 AromaticContact ND1-CZ 3.96Å
201	P	62.9	Low	58.6	Low	13 Å²	13	48.3 Å²	48.3	8%	0.084	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	151.8	162.6	30	-33.1	0	0	0	110.5	F203 G271 F272 I465	P201-F203 HydrophobicContact CG-CE2 3.99Å; P201-F203 HydrophobicContact CG-CZ 4.12Å; P201-F203 VanDerWaalsContact O-CD2 3.3Å; P201-F203 WeakPolarHBondContact O-CD2 3.21Å; P201-F203 PolarHBondContact O-N 2.8Å; P201-G271 CarbonylContact C-O 3.55Å; P201-G271 WeakPolarHBondContact CA-O 3.42Å; P201-F272 HydrophobicContact CB-CD1 4.07Å; P201-F272 HydrophobicContact CB-CE1 3.99Å; P201-I465 HydrophobicContact CB-CD1 4.48Å
202	N	54.5	Low	56.1	Low	62 Å²	62	53.6 Å²	53.6	33%	0.332	32%	0.317	S	S	.	.			trans	-69.4	113.4	178	-167	-2.7	0	0	0	109.7	N204 A205 G271 Y273	N202-N204 PolarHBondContact OD1-N 3.45Å; N202-A205 PolarHBondContact OD1-N 2.85Å; N202-G271 VanDerWaalsContact CB-O 3.3Å; N202-G271 WeakPolarHBondContact CB-O 3.3Å; N202-G271 PolarHBondContact N-O 2.6Å; N202-Y273 HydrophobicContact CB-CD2 3.78Å; N202-Y273 HydrophobicContact CB-CE2 3.46Å; N202-Y273 VanDerWaalsContact CB-CE2 3.46Å; N202-Y273 PolarHBondContact ND2-OH 2.96Å
203	F	44.6	Very low	53.5	Low	139 Å²	139	59.1 Å²	59.1	61%	0.61	34%	0.341	S	S	*	.	S	Bend	trans	-88.8	-15.8	170.6	-70.8	-80.3	0	0	0	112.8	P201	P201-F203 HydrophobicContact CG-CE2 3.99Å; P201-F203 HydrophobicContact CG-CZ 4.12Å; P201-F203 VanDerWaalsContact O-CD2 3.3Å; P201-F203 WeakPolarHBondContact O-CD2 3.21Å; P201-F203 PolarHBondContact O-N 2.8Å
204	N	39.8	Very low	50.8	Low	146 Å²	146	65.4 Å²	65.4	78%	0.781	38%	0.375	S	S	*	.			trans	-112.1	18.3	-166.9	-81.6	-3.6	0	0	0	115	N202 T206	N202-N204 PolarHBondContact OD1-N 3.45Å; N204-T206 PolarHBondContact O-N 3.38Å
205	A	35.9	Very low	48	Very low	69 Å²	69	71.8 Å²	71.8	57%	0.57	41%	0.408	S	S	*	.			trans	-71.2	99.4	162.6	0	0	0	0	0	107.8	N202	N202-A205 PolarHBondContact OD1-N 2.85Å
206	T	28.5	Very low	45.2	Very low	103 Å²	103	78.5 Å²	78.5	63%	0.632	44%	0.444	S	S	*	.			trans	-48.9	133.2	167.5	26.1	0	0	0	0	109.3	N204 A208 C209	N204-T206 PolarHBondContact O-N 3.38Å; T206-A208 PolarHBondContact O-N 2.96Å; T206-C209 PolarHBondContact O-N 2.99Å
207	P	31.4	Very low	42.4	Very low	100 Å²	100	85.2 Å²	85.2	65%	0.649	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	10.2	-179.5	26.6	-34	0	0	0	114	C209 S210	P207-C209 PolarHBondContact O-N 3.35Å; P207-S210 PolarHBondContact O-N 3.19Å; P207-S210 PolarHBondContact O-OG 3.29Å
208	A	28.2	Very low	39.8	Very low	67 Å²	67	89 Å²	89	55%	0.554	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-20.6	169.1	0	0	0	0	0	112.6	T206 T211	T206-A208 PolarHBondContact O-N 2.96Å; A208-T211 PolarHBondContact O-OG1 2.95Å
209	C	29	Very low	37.6	Very low	45 Å²	45	96.6 Å²	96.6	30%	0.304	55%	0.546	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-17.6	176.7	-64.3	0	0	0	0	113.9	T206 P207 T211 I212 F213	T206-C209 PolarHBondContact O-N 2.99Å; P207-C209 PolarHBondContact O-N 3.35Å; C209-T211 VanDerWaalsContact C-N 3.32Å; C209-T211 PolarHBondContact O-N 3.11Å; C209-I212 PolarHBondContact O-N 3.19Å; C209-F213 WeakPolarHBondContact O-CD2 3.34Å
210	S	30.5	Very low	35.4	Very low	64 Å²	64	101.3 Å²	101.3	45%	0.448	58%	0.58	S	S	.	*	H	α-helix	trans	-73.2	-23.4	176.2	52.8	0	0	0	0	113.2	P207 I212 F213	P207-S210 PolarHBondContact O-N 3.19Å; P207-S210 PolarHBondContact O-OG 3.29Å; S210-I212 PolarHBondContact O-N 3.3Å; S210-F213 PolarHBondContact O-N 3.47Å
211	T	29.5	Very low	33.6	Very low	92 Å²	92	105.3 Å²	105.3	56%	0.564	61%	0.608	S	S	*	*	H	α-helix	trans	-70.1	-21.3	174.5	42.5	0	0	0	0	112.9	A208 C209	A208-T211 PolarHBondContact O-OG1 2.95Å; C209-T211 VanDerWaalsContact C-N 3.32Å; C209-T211 PolarHBondContact O-N 3.11Å
212	I	31.7	Very low	31.8	Very low	114 Å²	114	114 Å²	114	59%	0.585	65%	0.648	S	S	*	*	H	α-helix	trans	-77.2	-32.3	174.7	-57.2	177	0	0	0	110.8	C209 S210	C209-I212 PolarHBondContact O-N 3.19Å; S210-I212 PolarHBondContact O-N 3.3Å
213	F	29.7	Very low	30.4	Very low	131 Å²	131	116 Å²	116	58%	0.575	67%	0.667	S	S	*	*	H	α-helix	trans	-69.9	-32.2	178.9	-81.4	-82	0	0	0	113.5	C209 S210 L215 T267	C209-F213 WeakPolarHBondContact O-CD2 3.34Å; S210-F213 PolarHBondContact O-N 3.47Å; F213-L215 VanDerWaalsContact C-N 3.3Å; F213-L215 PolarHBondContact O-N 3.41Å; F213-T267 HydrophobicContact CZ-CG2 4.02Å
214	N	30.3	Very low	29.5	Very low	136 Å²	136	117.9 Å²	117.9	73%	0.727	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	-4.8	-178.8	-75.4	-7.2	0	0	0	114.9
215	L	29	Very low	29.2	Very low	138 Å²	138	123 Å²	123	72%	0.723	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	-10.9	-180	-96.2	156.8	0	0	0	114.3	F213	F213-L215 VanDerWaalsContact C-N 3.3Å; F213-L215 PolarHBondContact O-N 3.41Å
216	N	31	Very low	28.9	Very low	142 Å²	142	129.3 Å²	129.3	76%	0.759	70%	0.7	S	S	*	*	S	Bend	trans	-99.7	-5.4	-179.6	-78.4	-18.7	0	0	0	114.9
217	D	28.2	Very low	29.1	Very low	149 Å²	149	133.1 Å²	133.1	80%	0.797	71%	0.711	S	S	*	*	S	Bend	trans	-100.7	70.1	174.8	-82.6	-15.2	0	0	0	111.6
218	S	27.7	Very low	29.5	Very low	95 Å²	95	130.8 Å²	130.8	66%	0.664	71%	0.705	S	S	*	*			trans	-167.6	63.5	158.7	50	0	0	0	0	113
219	I	29.6	Very low	30.5	Very low	168 Å²	168	132.8 Å²	132.8	86%	0.862	71%	0.71	S	S	*	*			trans	-131.1	74.1	156.4	-51.2	178	0	0	0	109.1
220	S	25.8	Very low	31.4	Very low	109 Å²	109	139.1 Å²	139.1	76%	0.762	73%	0.733	S	S	*	*			trans	-90.9	114	156	55.4	0	0	0	0	108.8
221	T	28.4	Very low	32.3	Very low	130 Å²	130	143.2 Å²	143.2	80%	0.798	74%	0.743	S	S	*	*			trans	-147	96.1	151	40.2	0	0	0	0	110.6
222	Q	24.9	Very low	33.3	Very low	194 Å²	194	145.6 Å²	145.6	91%	0.907	75%	0.745	S	S	*	*			trans	6.9	125.9	138.7	-126.8	167.2	-3	0	0	118.7
223	S	24.8	Very low	34.4	Very low	105 Å²	105	145.3 Å²	145.3	73%	0.734	74%	0.744	S	S	*	*			trans	-56.6	140.4	159.6	161.5	0	0	0	0	113
224	E	25.6	Very low	35.7	Very low	179 Å²	179	146.3 Å²	146.3	84%	0.836	75%	0.749	S	S	*	*				173.1	119	119.7	-95.9	-171.8	-174.9	0	0	112.3
225	R	32.8	Very low	37.3	Very low	252 Å²	252	143.9 Å²	143.9	95%	0.951	74%	0.735	S	S	*	*				178.5	138.6	124.3	-111	176.7	171.1	166.7	-2.5	113.4
226	K	29.3	Very low	38.5	Very low	202 Å²	202	145.9 Å²	145.9	88%	0.878	73%	0.733	S	S	*	*			trans	-70.5	130.4	178.4	-63.9	169.6	175.8	174.1	0	111.5
227	Q	33.5	Very low	40	Very low	184 Å²	184	143.4 Å²	143.4	86%	0.86	72%	0.719	S	S	*	*			trans	-177.3	128.7	148.9	-103	161.7	12.9	0	0	113
228	G	39.2	Very low	41.7	Very low	50 Å²	50	138.9 Å²	138.9	52%	0.515	70%	0.699	S	S	.	*			trans	77.9	119.2	152.5	0	0	0	0	0	120.1	F230 K231 K232	G228-F230 PolarHBondContact O-N 2.86Å; G228-K231 PolarHBondContact O-N 2.84Å; G228-K232 PolarHBondContact O-N 3Å
229	T	49.5	Very low	43.3	Very low	109 Å²	109	139.4 Å²	139.4	67%	0.669	69%	0.691	S	S	*	*	H	α-helix	trans	-60.3	-33.8	178.2	45.7	0	0	0	0	114.6	K232 L233	T229-K232 WeakPolarHBondContact O-CB 3.38Å; T229-K232 PolarHBondContact O-N 2.66Å; T229-L233 PolarHBondContact O-N 2.97Å
230	F	48	Very low	44.7	Very low	179 Å²	179	136.7 Å²	136.7	79%	0.785	68%	0.678	S	S	*	*	H	α-helix	trans	-70.1	-33.6	176.4	-79.6	-83.4	0	0	0	113	G228 L233 F234	G228-F230 PolarHBondContact O-N 2.86Å; F230-L233 PolarHBondContact O-N 2.99Å; F230-F234 PolarHBondContact O-N 3.06Å; F230-F234 VanDerWaalsContact O-N 3.13Å
231	K	49.3	Very low	46.5	Very low	149 Å²	149	138.4 Å²	138.4	65%	0.648	67%	0.668	S	S	*	*	H	α-helix	trans	-71.2	-28.5	171.6	-111.5	-176.6	-178.9	179.9	0	111.9	G228 L233 F234 I235	G228-K231 PolarHBondContact O-N 2.84Å; K231-L233 VanDerWaalsContact C-N 3.31Å; K231-L233 PolarHBondContact O-N 3.44Å; K231-F234 CarbonylContact O-C 3.58Å; K231-F234 PolarHBondContact O-N 2.71Å; K231-I235 HydrophobicContact CB-CD1 4.4Å; K231-I235 VanDerWaalsContact O-CB 3.24Å; K231-I235 WeakPolarHBondContact O-CB 3.32Å; K231-I235 WeakPolarHBondContact O-CD1 3.3Å; K231-I235 WeakPolarHBondContact O-CG1 3.41Å; K231-I235 PolarHBondContact O-N 2.99Å
232	K	51.6	Low	48.2	Very low	142 Å²	142	135.3 Å²	135.3	62%	0.617	65%	0.647	S	S	*	*	H	α-helix	trans	-62.8	-36.6	171.3	-74.9	-177.6	177.8	178	0	112.3	G228 T229 R236	G228-K232 PolarHBondContact O-N 3Å; T229-K232 WeakPolarHBondContact O-CB 3.38Å; T229-K232 PolarHBondContact O-N 2.66Å; K232-R236 WeakPolarHBondContact O-CB 3.46Å; K232-R236 WeakPolarHBondContact O-CG 3.48Å; K232-R236 PolarHBondContact O-N 3.29Å
233	L	54.3	Low	50	Low	108 Å²	108	131 Å²	131	57%	0.565	63%	0.629	S	S	*	*	H	α-helix	trans	-69	-44.8	174.3	-155.1	94.8	0	0	0	110.6	T229 F230 K231 I235 R236 I237	T229-L233 PolarHBondContact O-N 2.97Å; F230-L233 PolarHBondContact O-N 2.99Å; K231-L233 VanDerWaalsContact C-N 3.31Å; K231-L233 PolarHBondContact O-N 3.44Å; L233-I235 VanDerWaalsContact C-N 3.34Å; L233-I235 PolarHBondContact O-N 3.36Å; L233-R236 CarbonylContact O-C 3.57Å; L233-R236 PolarHBondContact O-N 3.31Å; L233-R236 VanDerWaalsContact O-N 3.15Å; L233-I237 HydrophobicContact CD2-CD1 3.84Å; L233-I237 HydrophobicContact CG-CD1 4.09Å; L233-I237 WeakPolarHBondContact O-CB 3.48Å; L233-I237 VanDerWaalsContact O-CG1 3.27Å; L233-I237 WeakPolarHBondContact O-CG1 3.22Å; L233-I237 PolarHBondContact O-N 2.83Å
234	F	58	Low	51.3	Low	152 Å²	152	130.7 Å²	130.7	67%	0.667	62%	0.619	S	S	*	*	H	α-helix	trans	-64.7	-35.7	175.9	-117.2	-83.2	0	0	0	113.1	F230 K231 I237 S238	F230-F234 PolarHBondContact O-N 3.06Å; F230-F234 VanDerWaalsContact O-N 3.13Å; K231-F234 CarbonylContact O-C 3.58Å; K231-F234 PolarHBondContact O-N 2.71Å; F234-I237 PolarHBondContact O-N 3.19Å; F234-S238 WeakPolarHBondContact O-CA 3.26Å; F234-S238 WeakPolarHBondContact O-CB 3.35Å; F234-S238 PolarHBondContact O-N 3.09Å
235	I	62	Low	52.7	Low	85 Å²	85	125.2 Å²	125.2	44%	0.436	59%	0.593	S	S	.	*	H	α-helix	trans	-70.5	-37	173.4	-68.1	161.2	0	0	0	109.6	K231 L233 Q239	K231-I235 HydrophobicContact CB-CD1 4.4Å; K231-I235 VanDerWaalsContact O-CB 3.24Å; K231-I235 WeakPolarHBondContact O-CB 3.32Å; K231-I235 WeakPolarHBondContact O-CD1 3.3Å; K231-I235 WeakPolarHBondContact O-CG1 3.41Å; K231-I235 PolarHBondContact O-N 2.99Å; L233-I235 VanDerWaalsContact C-N 3.34Å; L233-I235 PolarHBondContact O-N 3.36Å; I235-Q239 HydrophobicContact CG2-CG 4.19Å; I235-Q239 WeakPolarHBondContact O-CA 3.35Å; I235-Q239 WeakPolarHBondContact O-CB 3.45Å; I235-Q239 WeakPolarHBondContact O-CG 3.48Å; I235-Q239 PolarHBondContact O-N 2.71Å
236	R	55.7	Low	53.7	Low	180 Å²	180	121.7 Å²	121.7	68%	0.679	58%	0.58	S	S	*	*	H	α-helix	trans	-68.6	-38.8	172.8	-81	-166.9	-179.2	-173.9	1.9	112.7	K232 L233 L240	K232-R236 WeakPolarHBondContact O-CB 3.46Å; K232-R236 WeakPolarHBondContact O-CG 3.48Å; K232-R236 PolarHBondContact O-N 3.29Å; L233-R236 CarbonylContact O-C 3.57Å; L233-R236 PolarHBondContact O-N 3.31Å; L233-R236 VanDerWaalsContact O-N 3.15Å; R236-L240 VanDerWaalsContact O-CB 3.27Å; R236-L240 WeakPolarHBondContact O-CB 3.41Å; R236-L240 WeakPolarHBondContact O-CG 3.49Å; R236-L240 PolarHBondContact O-N 3.49Å
237	I	62.9	Low	54.7	Low	91 Å²	91	113.9 Å²	113.9	47%	0.467	55%	0.551	S	S	.	*	H	α-helix	trans	-70.7	-39.3	175.7	-65.8	163.4	0	0	0	110.1	L233 F234 L240 Y241	L233-I237 HydrophobicContact CD2-CD1 3.84Å; L233-I237 HydrophobicContact CG-CD1 4.09Å; L233-I237 WeakPolarHBondContact O-CB 3.48Å; L233-I237 VanDerWaalsContact O-CG1 3.27Å; L233-I237 WeakPolarHBondContact O-CG1 3.22Å; L233-I237 PolarHBondContact O-N 2.83Å; F234-I237 PolarHBondContact O-N 3.19Å; I237-L240 CarbonylContact O-C 3.58Å; I237-L240 PolarHBondContact O-N 3.25Å; I237-Y241 VanDerWaalsContact O-CB 3.28Å; I237-Y241 WeakPolarHBondContact O-CB 3.34Å; I237-Y241 PolarHBondContact O-N 3.15Å
238	S	63.8	Low	55.5	Low	54 Å²	54	108.5 Å²	108.5	38%	0.378	53%	0.527	S	S	.	.	H	α-helix	trans	-70.6	-35.2	174.3	176.2	0	0	0	0	111.7	F234 Y241 N242	F234-S238 WeakPolarHBondContact O-CA 3.26Å; F234-S238 WeakPolarHBondContact O-CB 3.35Å; F234-S238 PolarHBondContact O-N 3.09Å; S238-Y241 PolarHBondContact O-N 3.14Å; S238-N242 WeakPolarHBondContact O-CB 3.32Å; S238-N242 PolarHBondContact O-N 3.5Å; S238-N242 PolarHBondContact O-ND2 2.73Å; S238-N242 PolarHBondContact O-OD1 2.85Å
239	Q	61.2	Low	55.8	Low	105 Å²	105	112.3 Å²	112.3	49%	0.491	53%	0.53	S	S	.	.	H	α-helix	trans	-67.2	-41.6	170.1	-78.5	170.2	-9.4	0	0	110.6	I235 N242 I243	I235-Q239 HydrophobicContact CG2-CG 4.19Å; I235-Q239 WeakPolarHBondContact O-CA 3.35Å; I235-Q239 WeakPolarHBondContact O-CB 3.45Å; I235-Q239 WeakPolarHBondContact O-CG 3.48Å; I235-Q239 PolarHBondContact O-N 2.71Å; Q239-N242 CarbonylContact O-C 3.5Å; Q239-N242 PolarHBondContact O-N 3.02Å; Q239-I243 VanDerWaalsContact O-CB 3.25Å; Q239-I243 WeakPolarHBondContact O-CB 3.49Å; Q239-I243 WeakPolarHBondContact O-CD1 3.17Å; Q239-I243 WeakPolarHBondContact O-CG1 3.46Å; Q239-I243 PolarHBondContact O-N 3.36Å
240	L	58.4	Low	55.7	Low	112 Å²	112	117.4 Å²	117.4	59%	0.586	54%	0.536	S	S	*	.	H	α-helix	trans	-64.3	-42.4	173.4	-84.5	165.1	0	0	0	111.2	R236 I237 I243 L244	R236-L240 VanDerWaalsContact O-CB 3.27Å; R236-L240 WeakPolarHBondContact O-CB 3.41Å; R236-L240 WeakPolarHBondContact O-CG 3.49Å; R236-L240 PolarHBondContact O-N 3.49Å; I237-L240 CarbonylContact O-C 3.58Å; I237-L240 PolarHBondContact O-N 3.25Å; L240-I243 CarbonylContact O-C 3.55Å; L240-I243 PolarHBondContact O-N 3.28Å; L240-L244 WeakPolarHBondContact O-CB 3.3Å; L240-L244 PolarHBondContact O-N 3.36Å
241	Y	64	Low	55.5	Low	144 Å²	144	110.7 Å²	110.7	57%	0.565	51%	0.511	S	S	*	.	H	α-helix	trans	-65.6	-39.9	174.7	-176.4	-92	0	0	0	110.9	I237 S238 L244 E245	I237-Y241 VanDerWaalsContact O-CB 3.28Å; I237-Y241 WeakPolarHBondContact O-CB 3.34Å; I237-Y241 PolarHBondContact O-N 3.15Å; S238-Y241 PolarHBondContact O-N 3.14Å; Y241-L244 CarbonylContact O-C 3.54Å; Y241-L244 PolarHBondContact O-N 3.35Å; Y241-E245 HydrophobicContact CD1-CB 4.48Å; Y241-E245 HydrophobicContact CE1-CB 4.26Å; Y241-E245 WeakPolarHBondContact O-CA 3.26Å; Y241-E245 WeakPolarHBondContact O-CB 3.38Å; Y241-E245 PolarHBondContact O-N 2.83Å
242	N	62.6	Low	54.8	Low	65 Å²	65	112.1 Å²	112.1	35%	0.348	51%	0.514	S	S	.	.	H	α-helix	trans	-72.2	-30.8	175.5	-71.1	-15.6	0	0	0	111.8	S238 Q239 R246	S238-N242 WeakPolarHBondContact O-CB 3.32Å; S238-N242 PolarHBondContact O-N 3.5Å; S238-N242 PolarHBondContact O-ND2 2.73Å; S238-N242 PolarHBondContact O-OD1 2.85Å; Q239-N242 CarbonylContact O-C 3.5Å; Q239-N242 PolarHBondContact O-N 3.02Å; N242-R246 WeakPolarHBondContact O-CA 3.48Å; N242-R246 WeakPolarHBondContact O-CB 3.24Å; N242-R246 WeakPolarHBondContact O-CD 3.34Å; N242-R246 WeakPolarHBondContact O-CG 3.41Å; N242-R246 PolarHBondContact O-N 2.65Å
243	I	62.9	Low	53.7	Low	104 Å²	104	108.1 Å²	108.1	53%	0.533	50%	0.504	S	S	.	.	H	α-helix	trans	-71.3	-39.2	170.9	-71.3	161	0	0	0	109.3	Q239 L240 S247	Q239-I243 VanDerWaalsContact O-CB 3.25Å; Q239-I243 WeakPolarHBondContact O-CB 3.49Å; Q239-I243 WeakPolarHBondContact O-CD1 3.17Å; Q239-I243 WeakPolarHBondContact O-CG1 3.46Å; Q239-I243 PolarHBondContact O-N 3.36Å; L240-I243 CarbonylContact O-C 3.55Å; L240-I243 PolarHBondContact O-N 3.28Å; I243-S247 WeakPolarHBondContact O-CA 3.4Å; I243-S247 WeakPolarHBondContact O-CB 3.37Å; I243-S247 PolarHBondContact O-N 3.06Å; I243-S247 PolarHBondContact O-OG 2.85Å
244	L	52.3	Low	52.7	Low	99 Å²	99	106.8 Å²	106.8	52%	0.518	50%	0.502	S	S	.	.	H	α-helix	trans	-68.3	-50.4	176.9	-154.7	96.6	0	0	0	109.5	L240 Y241 R246 S247 I248	L240-L244 WeakPolarHBondContact O-CB 3.3Å; L240-L244 PolarHBondContact O-N 3.36Å; Y241-L244 CarbonylContact O-C 3.54Å; Y241-L244 PolarHBondContact O-N 3.35Å; L244-R246 PolarHBondContact O-N 3.15Å; L244-S247 WeakPolarHBondContact CA-OG 3.39Å; L244-S247 CarbonylContact O-C 3.58Å; L244-S247 WeakPolarHBondContact O-CA 3.49Å; L244-S247 WeakPolarHBondContact O-CB 3.45Å; L244-S247 PolarHBondContact O-N 2.94Å; L244-S247 VanDerWaalsContact O-N 3.07Å; L244-S247 PolarHBondContact O-OG 3.19Å; L244-I248 HydrophobicContact CD2-CD1 3.66Å; L244-I248 HydrophobicContact CG-CD1 3.87Å; L244-I248 VanDerWaalsContact O-CB 3.24Å; L244-I248 WeakPolarHBondContact O-CB 3.37Å; L244-I248 WeakPolarHBondContact O-CG1 3.44Å; L244-I248 PolarHBondContact O-N 2.93Å
245	E	54.8	Low	51.4	Low	63 Å²	63	104.5 Å²	104.5	29%	0.294	50%	0.497	S	S	.	.	H	α-helix	trans	-64.2	-37.4	175.4	-160.1	-153.5	147.9	0	0	110.7	Y241 I248 K249	Y241-E245 HydrophobicContact CD1-CB 4.48Å; Y241-E245 HydrophobicContact CE1-CB 4.26Å; Y241-E245 WeakPolarHBondContact O-CA 3.26Å; Y241-E245 WeakPolarHBondContact O-CB 3.38Å; Y241-E245 PolarHBondContact O-N 2.83Å; E245-I248 CarbonylContact O-C 3.59Å; E245-I248 PolarHBondContact O-N 2.96Å; E245-K249 WeakPolarHBondContact O-CA 3.42Å; E245-K249 WeakPolarHBondContact O-CB 3.49Å; E245-K249 PolarHBondContact O-N 3.47Å; E245-K249 WeakPolarHBondContact OE1-CE 3.34Å; E245-K249 IonicContact OE1-NZ 2.55Å; E245-K249 PolarHBondContact OE1-NZ 3.36Å
246	R	54.6	Low	49.9	Very low	178 Å²	178	107 Å²	107	67%	0.672	51%	0.509	S	S	*	.	H	α-helix	trans	-68.5	-36.1	169.8	-77.8	171.5	-177.4	173.4	0.4	111.8	N242 L244 I248 R250	N242-R246 WeakPolarHBondContact O-CA 3.48Å; N242-R246 WeakPolarHBondContact O-CB 3.24Å; N242-R246 WeakPolarHBondContact O-CD 3.34Å; N242-R246 WeakPolarHBondContact O-CG 3.41Å; N242-R246 PolarHBondContact O-N 2.65Å; L244-R246 PolarHBondContact O-N 3.15Å; R246-I248 VanDerWaalsContact C-N 3.35Å; R246-R250 WeakPolarHBondContact O-CB 3.45Å; R246-R250 VanDerWaalsContact O-CG 3.29Å; R246-R250 WeakPolarHBondContact O-CG 3.07Å; R246-R250 PolarHBondContact O-N 3.33Å
247	S	51	Low	48.6	Very low	39 Å²	39	106.2 Å²	106.2	27%	0.273	51%	0.513	S	S	.	.	H	α-helix	trans	-69.8	-36.3	175.6	80	0	0	0	0	110.9	I243 L244 S251	I243-S247 WeakPolarHBondContact O-CA 3.4Å; I243-S247 WeakPolarHBondContact O-CB 3.37Å; I243-S247 PolarHBondContact O-N 3.06Å; I243-S247 PolarHBondContact O-OG 2.85Å; L244-S247 WeakPolarHBondContact CA-OG 3.39Å; L244-S247 CarbonylContact O-C 3.58Å; L244-S247 WeakPolarHBondContact O-CA 3.49Å; L244-S247 WeakPolarHBondContact O-CB 3.45Å; L244-S247 PolarHBondContact O-N 2.94Å; L244-S247 VanDerWaalsContact O-N 3.07Å; L244-S247 PolarHBondContact O-OG 3.19Å; S247-S251 VanDerWaalsContact O-CB 3.27Å; S247-S251 WeakPolarHBondContact O-CB 3.4Å; S247-S251 PolarHBondContact O-N 3.31Å; S247-S251 PolarHBondContact O-OG 3.2Å
248	I	48.8	Very low	47	Very low	71 Å²	71	104.5 Å²	104.5	36%	0.364	52%	0.518	S	S	.	.	H	α-helix	trans	-74.5	-50.6	177.1	-72	167.9	0	0	0	108.6	L244 E245 R246 R250 S251 Y252	L244-I248 HydrophobicContact CD2-CD1 3.66Å; L244-I248 HydrophobicContact CG-CD1 3.87Å; L244-I248 VanDerWaalsContact O-CB 3.24Å; L244-I248 WeakPolarHBondContact O-CB 3.37Å; L244-I248 WeakPolarHBondContact O-CG1 3.44Å; L244-I248 PolarHBondContact O-N 2.93Å; E245-I248 CarbonylContact O-C 3.59Å; E245-I248 PolarHBondContact O-N 2.96Å; R246-I248 VanDerWaalsContact C-N 3.35Å; I248-R250 VanDerWaalsContact C-N 3.33Å; I248-R250 PolarHBondContact O-N 2.68Å; I248-S251 CarbonylContact O-C 3.32Å; I248-S251 VanDerWaalsContact O-CA 3.22Å; I248-S251 WeakPolarHBondContact O-CA 3.36Å; I248-S251 VanDerWaalsContact O-CB 3.25Å; I248-S251 WeakPolarHBondContact O-CB 3.24Å; I248-S251 PolarHBondContact O-N 2.8Å; I248-Y252 HydrophobicContact CB-CD2 4.24Å; I248-Y252 HydrophobicContact CG2-CD2 3.35Å; I248-Y252 HydrophobicContact CG2-CE2 3.71Å; I248-Y252 HydrophobicContact CG2-CG 4.39Å; I248-Y252 VanDerWaalsContact O-CB 3.31Å; I248-Y252 WeakPolarHBondContact O-CB 3.42Å; I248-Y252 VanDerWaalsContact O-CD2 3.24Å; I248-Y252 WeakPolarHBondContact O-CD2 3.33Å; I248-Y252 PolarHBondContact O-N 3.01Å
249	K	46.4	Very low	45.4	Very low	130 Å²	130	110.7 Å²	110.7	57%	0.565	53%	0.534	S	S	*	.	H	α-helix	trans	-56.6	-42.8	170.9	-95.9	174.7	172.2	148.9	0	111.7	E245 S251 Y252 S253	E245-K249 WeakPolarHBondContact O-CA 3.42Å; E245-K249 WeakPolarHBondContact O-CB 3.49Å; E245-K249 PolarHBondContact O-N 3.47Å; E245-K249 WeakPolarHBondContact OE1-CE 3.34Å; E245-K249 IonicContact OE1-NZ 2.55Å; E245-K249 PolarHBondContact OE1-NZ 3.36Å; K249-S251 PolarHBondContact O-N 3.11Å; K249-Y252 PolarHBondContact O-N 3.37Å; K249-S253 VanDerWaalsContact O-CB 3.23Å; K249-S253 WeakPolarHBondContact O-CB 3.4Å; K249-S253 PolarHBondContact O-N 3.19Å; K249-S253 PolarHBondContact O-OG 3.42Å
250	R	46.6	Very low	44	Very low	216 Å²	216	111 Å²	111	82%	0.815	54%	0.535	S	S	*	.	H	α-helix	trans	-65	-25.4	169.9	-78	-178.7	176.6	176	-1.6	113.3	R246 I248	R246-R250 WeakPolarHBondContact O-CB 3.45Å; R246-R250 VanDerWaalsContact O-CG 3.29Å; R246-R250 WeakPolarHBondContact O-CG 3.07Å; R246-R250 PolarHBondContact O-N 3.33Å; I248-R250 VanDerWaalsContact C-N 3.33Å; I248-R250 PolarHBondContact O-N 2.68Å
251	S	43.6	Very low	42.9	Very low	37 Å²	37	107.8 Å²	107.8	26%	0.259	52%	0.523	S	S	.	.	H	α-helix	trans	-81.8	-31.4	174.6	-55.7	0	0	0	0	112.9	S247 I248 K249 R385	S247-S251 VanDerWaalsContact O-CB 3.27Å; S247-S251 WeakPolarHBondContact O-CB 3.4Å; S247-S251 PolarHBondContact O-N 3.31Å; S247-S251 PolarHBondContact O-OG 3.2Å; I248-S251 CarbonylContact O-C 3.32Å; I248-S251 VanDerWaalsContact O-CA 3.22Å; I248-S251 WeakPolarHBondContact O-CA 3.36Å; I248-S251 VanDerWaalsContact O-CB 3.25Å; I248-S251 WeakPolarHBondContact O-CB 3.24Å; I248-S251 PolarHBondContact O-N 2.8Å; K249-S251 PolarHBondContact O-N 3.11Å; S251-R385 PolarHBondContact O-NH1 2.92Å
252	Y	34.5	Very low	41.6	Very low	179 Å²	179	102.1 Å²	102.1	70%	0.702	50%	0.503	S	S	*	.	H	α-helix	trans	-112.8	-13.2	-167.9	-79.8	-83.4	0	0	0	114	I248 K249 P254	I248-Y252 HydrophobicContact CB-CD2 4.24Å; I248-Y252 HydrophobicContact CG2-CD2 3.35Å; I248-Y252 HydrophobicContact CG2-CE2 3.71Å; I248-Y252 HydrophobicContact CG2-CG 4.39Å; I248-Y252 VanDerWaalsContact O-CB 3.31Å; I248-Y252 WeakPolarHBondContact O-CB 3.42Å; I248-Y252 VanDerWaalsContact O-CD2 3.24Å; I248-Y252 WeakPolarHBondContact O-CD2 3.33Å; I248-Y252 PolarHBondContact O-N 3.01Å; K249-Y252 PolarHBondContact O-N 3.37Å; Y252-P254 WeakPolarHBondContact O-CD 2.99Å; Y252-P254 VanDerWaalsContact O-N 3.1Å
253	S	29.9	Very low	40.4	Very low	58 Å²	58	101.3 Å²	101.3	41%	0.406	50%	0.499	S	S	.	.	S	Bend	trans	-67.5	106.4	162.8	57.4	0	0	0	0	106	K249 N255	K249-S253 VanDerWaalsContact O-CB 3.23Å; K249-S253 WeakPolarHBondContact O-CB 3.4Å; K249-S253 PolarHBondContact O-N 3.19Å; K249-S253 PolarHBondContact O-OG 3.42Å; S253-N255 PolarHBondContact O-N 3.23Å
254	P	32.7	Very low	39.4	Very low	81 Å²	81	96.9 Å²	96.9	53%	0.526	48%	0.477	S	S	.	.			trans	-67.9	125.6	167.6	13.4	4.2	0	0	0	104.2	Y252 I256	Y252-P254 WeakPolarHBondContact O-CD 2.99Å; Y252-P254 VanDerWaalsContact O-N 3.1Å; P254-I256 HydrophobicContact CB-CG1 3.94Å; P254-I256 HydrophobicContact CG-CD1 4Å; P254-I256 HydrophobicContact CG-CG1 3.97Å; P254-I256 PolarHBondContact O-N 3.3Å
255	N	31.5	Very low	38.8	Very low	104 Å²	104	93.5 Å²	93.5	56%	0.556	46%	0.458	S	S	*	.			trans	-62.8	85.4	158.8	-83.6	-6.6	0	0	0	105.4	S253 H257	S253-N255 PolarHBondContact O-N 3.23Å; N255-H257 PolarHBondContact O-N 3.07Å
256	I	30.1	Very low	38.1	Very low	136 Å²	136	91.6 Å²	91.6	70%	0.697	45%	0.451	S	S	*	.			trans	-66.1	-15.7	170.9	-73.1	167.7	0	0	0	109.4	P254 G258	P254-I256 HydrophobicContact CB-CG1 3.94Å; P254-I256 HydrophobicContact CG-CD1 4Å; P254-I256 HydrophobicContact CG-CG1 3.97Å; P254-I256 PolarHBondContact O-N 3.3Å; I256-G258 PolarHBondContact O-N 2.81Å; I256-G258 VanDerWaalsContact O-N 3.12Å
257	H	29.1	Very low	37.3	Very low	165 Å²	165	86.1 Å²	86.1	76%	0.764	44%	0.437	S	S	*	.	S	Bend	trans	-81.4	90.5	164.8	-60.3	85.8	0	0	0	107.7	N255	N255-H257 PolarHBondContact O-N 3.07Å
258	G	27.5	Very low	36.8	Very low	54 Å²	54	89.6 Å²	89.6	56%	0.557	45%	0.449	S	S	*	.			trans	-49.8	148	168.5	0	0	0	0	0	110.9	I256	I256-G258 PolarHBondContact O-N 2.81Å; I256-G258 VanDerWaalsContact O-N 3.12Å
259	Y	30.6	Very low	36.7	Very low	185 Å²	185	86.9 Å²	86.9	73%	0.725	44%	0.436	S	S	*	.			trans	60.6	81	-174.1	-51.6	-85.1	0	0	0	111.8	S261 Y396	Y259-S261 PolarHBondContact O-N 3.31Å; Y259-Y396 HydrophobicContact CD1-CD2 4.08Å; Y259-Y396 AromaticContact CD1-CE2 3.94Å; Y259-Y396 HydrophobicContact CD1-CE2 3.94Å; Y259-Y396 HydrophobicContact CE1-CD2 4.08Å; Y259-Y396 HydrophobicContact CE1-CE2 4.11Å
260	E	31.5	Very low	36.8	Very low	110 Å²	110	84.8 Å²	84.8	51%	0.514	43%	0.431	S	S	.	.			trans	-58.1	104.9	149	-156.3	168.6	-151	0	0	104.4
261	S	35.7	Very low	37.4	Very low	46 Å²	46	75.7 Å²	75.7	32%	0.322	41%	0.405	S	S	.	.			trans	-53.2	166.9	-169.6	39.7	0	0	0	0	110.6	Y259 D263 S264	Y259-S261 PolarHBondContact O-N 3.31Å; S261-D263 WeakPolarHBondContact CB-OD2 3.34Å; S261-D263 PolarHBondContact O-N 2.85Å; S261-D263 WeakPolarHBondContact OG-CB 3.2Å; S261-D263 PolarHBondContact OG-OD2 3.12Å; S261-S264 PolarHBondContact O-N 3.23Å; S261-S264 PolarHBondContact O-OG 3.11Å
262	V	37.4	Very low	38.7	Very low	24 Å²	24	74.4 Å²	74.4	15%	0.145	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.5	-14.6	167.2	-171.2	0	0	0	0	111.9	S264 F265 T266 Y396 M397 L400	V262-S264 PolarHBondContact O-N 3.37Å; V262-S264 VanDerWaalsContact O-N 3.08Å; V262-F265 HydrophobicContact CG1-CB 4.43Å; V262-F265 CarbonylContact O-C 3.58Å; V262-F265 WeakPolarHBondContact O-CA 3.36Å; V262-F265 WeakPolarHBondContact O-CB 3.33Å; V262-F265 PolarHBondContact O-N 3.19Å; V262-T266 HydrophobicContact CB-CG2 4.47Å; V262-T266 HydrophobicContact CG1-CG2 3.85Å; V262-T266 WeakPolarHBondContact O-CG2 2.97Å; V262-T266 PolarHBondContact O-N 2.95Å; V262-Y396 HydrophobicContact CG2-CD1 3.87Å; V262-Y396 HydrophobicContact CG2-CE1 3.45Å; V262-Y396 VanDerWaalsContact CG2-CE1 3.45Å; V262-M397 HydrophobicContact CG1-SD 3.77Å; V262-M397 HydrophobicContact CG2-SD 4.45Å; V262-L400 HydrophobicContact CG2-CD1 3.42Å; V262-L400 VanDerWaalsContact CG2-CD1 3.42Å
263	D	36.1	Very low	40.5	Very low	49 Å²	49	67.6 Å²	67.6	26%	0.262	37%	0.368	S	S	.	.	H	α-helix	trans	-50	-27.2	169.4	-55.3	-28.2	0	0	0	115.1	S261 F265 T266 T267	S261-D263 WeakPolarHBondContact CB-OD2 3.34Å; S261-D263 PolarHBondContact O-N 2.85Å; S261-D263 WeakPolarHBondContact OG-CB 3.2Å; S261-D263 PolarHBondContact OG-OD2 3.12Å; D263-F265 VanDerWaalsContact C-N 3.29Å; D263-F265 PolarHBondContact O-N 2.82Å; D263-T266 VanDerWaalsContact CA-OG1 3.25Å; D263-T266 WeakPolarHBondContact CA-OG1 3.31Å; D263-T266 PolarHBondContact O-N 2.9Å; D263-T266 PolarHBondContact OD1-OG1 2.85Å; D263-T267 HydrophobicContact CB-CG2 4.36Å; D263-T267 VanDerWaalsContact O-CB 3.27Å; D263-T267 WeakPolarHBondContact O-CB 3.22Å; D263-T267 WeakPolarHBondContact O-CG2 3.46Å; D263-T267 PolarHBondContact O-N 2.85Å; D263-T267 PolarHBondContact O-OG1 3.25Å
264	S	41.8	Very low	42.9	Very low	10 Å²	10	65 Å²	65	7%	0.07	35%	0.349	C	S	.	.	H	α-helix	trans	-67.2	-27.4	169.8	58.7	0	0	0	0	113.6	H177 S261 V262	H177-S264 PolarHBondContact CD2-O 3.21Å; H177-S264 PolarHBondContact CE1-O 2.85Å; H177-S264 PolarHBondContact ND1-O 3.24Å; H177-S264 PolarHBondContact NE2-O 3.33Å; S261-S264 PolarHBondContact O-N 3.23Å; S261-S264 PolarHBondContact O-OG 3.11Å; V262-S264 PolarHBondContact O-N 3.37Å; V262-S264 VanDerWaalsContact O-N 3.08Å
265	F	39.8	Very low	45.2	Very low	28 Å²	28	62.3 Å²	62.3	12%	0.123	33%	0.332	C	S	.	.	H	α-helix	trans	-86.5	-26	165.9	-69.1	-78.2	0	0	0	112.9	V262 D263 Y314 N393 M397	V262-F265 HydrophobicContact CG1-CB 4.43Å; V262-F265 CarbonylContact O-C 3.58Å; V262-F265 WeakPolarHBondContact O-CA 3.36Å; V262-F265 WeakPolarHBondContact O-CB 3.33Å; V262-F265 PolarHBondContact O-N 3.19Å; D263-F265 VanDerWaalsContact C-N 3.29Å; D263-F265 PolarHBondContact O-N 2.82Å; F265-Y314 HydrophobicContact CD1-CD2 4.36Å; F265-Y314 HydrophobicContact CD1-CE2 4.27Å; F265-Y314 HydrophobicContact CE1-CD1 4.19Å; F265-Y314 AromaticContact CE1-CD2 3.81Å; F265-Y314 HydrophobicContact CE1-CD2 3.81Å; F265-Y314 HydrophobicContact CE1-CE1 4.16Å; F265-Y314 AromaticContact CE1-CE2 3.79Å; F265-Y314 HydrophobicContact CE1-CE2 3.79Å; F265-Y314 HydrophobicContact CE1-CG 4.05Å; F265-Y314 AromaticContact CE1-CZ 3.97Å; F265-N393 HydrophobicContact CE2-CB 3.94Å; F265-N393 HydrophobicContact CZ-CB 4.36Å; F265-M397 HydrophobicContact CD2-CG 4.1Å; F265-M397 HydrophobicContact CD2-SD 4.09Å; F265-M397 HydrophobicContact CE2-CG 3.79Å; F265-M397 HydrophobicContact CE2-SD 4.38Å; F265-M397 HydrophobicContact CZ-CG 4.5Å
266	T	41.1	Very low	47.8	Very low	24 Å²	24	59.7 Å²	59.7	15%	0.147	32%	0.315	C	S	.	.	H	α-helix	trans	-97	-14.1	-173.4	80.9	0	0	0	0	116.3	V262 D263 E268 S269	V262-T266 HydrophobicContact CB-CG2 4.47Å; V262-T266 HydrophobicContact CG1-CG2 3.85Å; V262-T266 WeakPolarHBondContact O-CG2 2.97Å; V262-T266 PolarHBondContact O-N 2.95Å; D263-T266 VanDerWaalsContact CA-OG1 3.25Å; D263-T266 WeakPolarHBondContact CA-OG1 3.31Å; D263-T266 PolarHBondContact O-N 2.9Å; D263-T266 PolarHBondContact OD1-OG1 2.85Å; T266-E268 PolarHBondContact O-N 2.84Å; T266-S269 VanDerWaalsContact CA-OG 3.3Å; T266-S269 WeakPolarHBondContact CA-OG 3.3Å; T266-S269 WeakPolarHBondContact CB-OG 3.35Å; T266-S269 PolarHBondContact O-N 2.95Å; T266-S269 PolarHBondContact O-OG 3.35Å
267	T	38.6	Very low	50.6	Low	63 Å²	63	53.2 Å²	53.2	39%	0.387	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-13	-173.8	34.7	0	0	0	0	114.3	H177 F213 D263	H177-T267 PolarHBondContact NE2-OG1 2.83Å; F213-T267 HydrophobicContact CZ-CG2 4.02Å; D263-T267 HydrophobicContact CB-CG2 4.36Å; D263-T267 VanDerWaalsContact O-CB 3.27Å; D263-T267 WeakPolarHBondContact O-CB 3.22Å; D263-T267 WeakPolarHBondContact O-CG2 3.46Å; D263-T267 PolarHBondContact O-N 2.85Å; D263-T267 PolarHBondContact O-OG1 3.25Å
268	E	39.2	Very low	53.5	Low	111 Å²	111	45.4 Å²	45.4	52%	0.519	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-134.5	7.4	164.9	-74.5	-177.5	179.5	0	0	114	K176 T266 D270 G301	K176-E268 IonicContact NZ-OE1 3.62Å; K176-E268 PolarHBondContact NZ-OE1 3.42Å; K176-E268 IonicContact NZ-OE2 3.57Å; K176-E268 PolarHBondContact NZ-OE2 3.31Å; T266-E268 PolarHBondContact O-N 2.84Å; E268-D270 PolarHBondContact O-N 3.49Å; E268-G301 WeakPolarHBondContact O-CA 3.42Å
269	S	47.1	Very low	56.5	Low	14 Å²	14	42.8 Å²	42.8	10%	0.098	22%	0.219	C	C	.	.	S	Bend	trans	-65.6	133.6	163	65	0	0	0	0	105.9	T266 G271 V299	T266-S269 VanDerWaalsContact CA-OG 3.3Å; T266-S269 WeakPolarHBondContact CA-OG 3.3Å; T266-S269 WeakPolarHBondContact CB-OG 3.35Å; T266-S269 PolarHBondContact O-N 2.95Å; T266-S269 PolarHBondContact O-OG 3.35Å; S269-G271 PolarHBondContact O-N 3.12Å; S269-V299 WeakPolarHBondContact CB-O 3.37Å
270	D	48	Very low	59.2	Low	86 Å²	86	34 Å²	34	46%	0.46	18%	0.184	S	C	.	.			trans	-67.4	33.4	178.9	-69	-46	0	0	0	111.7	E268 F272	E268-D270 PolarHBondContact O-N 3.49Å; D270-F272 HydrophobicContact CB-CD2 3.49Å; D270-F272 VanDerWaalsContact CB-CD2 3.49Å; D270-F272 HydrophobicContact CB-CE2 3.4Å; D270-F272 VanDerWaalsContact O-CD2 3.32Å; D270-F272 WeakPolarHBondContact O-CD2 3.46Å; D270-F272 WeakPolarHBondContact O-CE2 3.39Å; D270-F272 PolarHBondContact O-N 3.42Å
271	G	59.9	Low	61.9	Low	25 Å²	25	28.9 Å²	28.9	26%	0.258	16%	0.16	S	C	.	.	S	Bend	trans	74	7.5	-175.4	0	0	0	0	0	113.5	P201 N202 S269 Y273	P201-G271 CarbonylContact C-O 3.55Å; P201-G271 WeakPolarHBondContact CA-O 3.42Å; N202-G271 VanDerWaalsContact CB-O 3.3Å; N202-G271 WeakPolarHBondContact CB-O 3.3Å; N202-G271 PolarHBondContact N-O 2.6Å; S269-G271 PolarHBondContact O-N 3.12Å; G271-Y273 WeakPolarHBondContact O-CD2 3.43Å
272	F	69.8	Low	64.3	Low	10 Å²	10	27.7 Å²	27.7	4%	0.044	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	143.7	-171.9	-60.7	-69.8	0	0	0	114.8	F199 H200 P201 D270 V299 L467	F199-F272 HydrophobicContact CD1-CD1 4.04Å; F199-F272 HydrophobicContact CD2-CB 4.28Å; F199-F272 HydrophobicContact CE1-CB 4.01Å; F199-F272 AromaticContact CE1-CD1 3.2Å; F199-F272 HydrophobicContact CE1-CD1 3.2Å; F199-F272 HydrophobicContact CE1-CD2 4.1Å; F199-F272 AromaticContact CE1-CE1 3.58Å; F199-F272 HydrophobicContact CE1-CE1 3.58Å; F199-F272 HydrophobicContact CE1-CE2 4.41Å; F199-F272 AromaticContact CE1-CG 3.52Å; F199-F272 HydrophobicContact CE1-CG 3.52Å; F199-F272 HydrophobicContact CE1-CZ 4.19Å; F199-F272 HydrophobicContact CE2-CB 3.44Å; F199-F272 VanDerWaalsContact CE2-CB 3.44Å; F199-F272 HydrophobicContact CE2-CD1 4.27Å; F199-F272 HydrophobicContact CE2-CD2 4.42Å; F199-F272 AromaticContact CE2-CG 3.84Å; F199-F272 HydrophobicContact CE2-CG 3.84Å; F199-F272 HydrophobicContact CZ-CB 3.29Å; F199-F272 AromaticContact CZ-CD1 3.37Å; F199-F272 HydrophobicContact CZ-CD1 3.37Å; F199-F272 AromaticContact CZ-CD2 3.53Å; F199-F272 HydrophobicContact CZ-CD2 3.53Å; F199-F272 HydrophobicContact CZ-CE1 4.03Å; F199-F272 HydrophobicContact CZ-CE2 4.16Å; F199-F272 AromaticContact CZ-CG 3.1Å; F199-F272 HydrophobicContact CZ-CG 3.1Å; F199-F272 HydrophobicContact CZ-CZ 4.39Å; H200-F272 WeakPolarHBondContact O-CA 3.42Å; P201-F272 HydrophobicContact CB-CD1 4.07Å; P201-F272 HydrophobicContact CB-CE1 3.99Å; D270-F272 HydrophobicContact CB-CD2 3.49Å; D270-F272 VanDerWaalsContact CB-CD2 3.49Å; D270-F272 HydrophobicContact CB-CE2 3.4Å; D270-F272 VanDerWaalsContact O-CD2 3.32Å; D270-F272 WeakPolarHBondContact O-CD2 3.46Å; D270-F272 WeakPolarHBondContact O-CE2 3.39Å; D270-F272 PolarHBondContact O-N 3.42Å; F272-V299 HydrophobicContact CB-CB 4.29Å; F272-V299 HydrophobicContact CB-CG2 4.36Å; F272-V299 PolarHBondContact O-N 3.35Å; F272-L467 HydrophobicContact CE1-CD2 4.23Å; F272-L467 HydrophobicContact CE2-CD2 4.49Å; F272-L467 HydrophobicContact CZ-CD2 3.9Å
273	Y	73.7	Confident	66.5	Low	37 Å²	37	30 Å²	30	15%	0.145	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	142.1	179.5	-70	-100.9	0	0	0	111	F199 H200 N202 G271 N296 V297 P298	F199-Y273 WeakPolarHBondContact CA-O 3.18Å; H200-Y273 PolarHBondContact N-O 3.19Å; H200-Y273 PolarHBondContact O-N 2.94Å; N202-Y273 HydrophobicContact CB-CD2 3.78Å; N202-Y273 HydrophobicContact CB-CE2 3.46Å; N202-Y273 VanDerWaalsContact CB-CE2 3.46Å; N202-Y273 PolarHBondContact ND2-OH 2.96Å; G271-Y273 WeakPolarHBondContact O-CD2 3.43Å; Y273-N296 HydrophobicContact CD1-CB 4.31Å; Y273-N296 WeakPolarHBondContact CD1-O 3.34Å; Y273-V297 CarbonylContact C-O 3.57Å; Y273-V297 VanDerWaalsContact CA-O 3.31Å; Y273-V297 WeakPolarHBondContact CA-O 3.47Å; Y273-P298 HydrophobicContact CD1-CB 4.17Å; Y273-P298 HydrophobicContact CE1-CB 3.88Å
274	F	79.7	Confident	68.6	Low	2 Å²	2	32.8 Å²	32.8	1%	0.009	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	129.3	160.8	-63.9	-61.2	0	0	0	109.2	L56 I196 G198 F199 V277 N296 V297 V299 F308 L312	L56-F274 HydrophobicContact CD1-CE1 4.01Å; I196-F274 HydrophobicContact CB-CD1 4.17Å; I196-F274 HydrophobicContact CB-CE1 4.3Å; I196-F274 HydrophobicContact CD1-CD1 4.21Å; I196-F274 HydrophobicContact CD1-CE1 3.61Å; I196-F274 HydrophobicContact CD1-CZ 4.19Å; I196-F274 HydrophobicContact CG2-CD1 4.33Å; I196-F274 HydrophobicContact CG2-CE1 4.3Å; I196-F274 HydrophobicContact CG2-CE2 4.49Å; I196-F274 HydrophobicContact CG2-CG 4.45Å; I196-F274 HydrophobicContact CG2-CZ 4.38Å; G198-F274 VanDerWaalsContact O-CA 3.26Å; G198-F274 WeakPolarHBondContact O-CA 3.35Å; F199-F274 HydrophobicContact CD2-CE1 4.45Å; F274-V277 HydrophobicContact CB-CG2 3.65Å; F274-V277 HydrophobicContact CD2-CG2 4.08Å; F274-V277 HydrophobicContact CG-CG2 4.09Å; F274-N296 CarbonylContact O-C 3.6Å; F274-N296 WeakPolarHBondContact O-CA 3.39Å; F274-N296 PolarHBondContact O-N 2.81Å; F274-V297 HydrophobicContact CB-CB 4.35Å; F274-V297 HydrophobicContact CD2-CB 4.41Å; F274-V297 PolarHBondContact N-O 2.81Å; F274-V297 PolarHBondContact O-N 2.93Å; F274-V299 HydrophobicContact CD1-CG2 4.15Å; F274-V299 HydrophobicContact CD2-CG2 3.72Å; F274-V299 HydrophobicContact CE1-CG2 4.04Å; F274-V299 HydrophobicContact CE2-CB 4.44Å; F274-V299 HydrophobicContact CE2-CG1 4.37Å; F274-V299 HydrophobicContact CE2-CG2 3.62Å; F274-V299 HydrophobicContact CG-CG2 3.99Å; F274-V299 HydrophobicContact CZ-CG1 4.22Å; F274-V299 HydrophobicContact CZ-CG2 3.78Å; F274-F308 HydrophobicContact CZ-CB 4.49Å; F274-L312 HydrophobicContact CD2-CD2 3.74Å; F274-L312 HydrophobicContact CE2-CD1 4.26Å; F274-L312 HydrophobicContact CE2-CD2 3.74Å; F274-L312 HydrophobicContact CE2-CG 4.11Å
275	S	81.1	Confident	70.4	Confident	25 Å²	25	39 Å²	39	18%	0.175	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	-49.1	178.3	176.1	0	0	0	0	110.4	R197 G198 E295 N296	R197-S275 WeakPolarHBondContact O-CB 3.41Å; R197-S275 PolarHBondContact O-N 3.47Å; R197-S275 VanDerWaalsContact O-N 3.17Å; G198-S275 PolarHBondContact O-N 3.24Å; S275-E295 WeakPolarHBondContact O-CA 3.34Å; S275-N296 PolarHBondContact O-N 3.17Å
276	R	86.3	Confident	72.2	Confident	50 Å²	50	39.2 Å²	39.2	19%	0.189	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	143.9	175.9	-61.7	-175.6	-174.5	-169.7	0	111.7	F158 R197 L293 F294 L416	F158-R276 HydrophobicContact CE1-CB 4.06Å; F158-R276 HydrophobicContact CZ-CB 4.19Å; R197-R276 HydrophobicContact CB-CB 4.38Å; R197-R276 PolarHBondContact N-O 2.98Å; R197-R276 PolarHBondContact O-N 3.38Å; R276-L293 HydrophobicContact CB-CD1 4.38Å; R276-F294 CarbonylContact C-O 3.52Å; R276-F294 WeakPolarHBondContact CA-O 3.48Å; R276-L416 VanDerWaalsContact NH1-CG 3.28Å
277	V	88.5	Confident	73.9	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	118	175	-177.4	0	0	0	0	108.7	F194 W195 I196 F274 F294 V297 L312 L315	F194-V277 HydrophobicContact CD1-CG1 3.93Å; W195-V277 CarbonylContact O-C 3.56Å; W195-V277 WeakPolarHBondContact O-CA 3.3Å; I196-V277 HydrophobicContact CG2-CG1 4.35Å; I196-V277 HydrophobicContact CG2-CG2 4.22Å; F274-V277 HydrophobicContact CB-CG2 3.65Å; F274-V277 HydrophobicContact CD2-CG2 4.08Å; F274-V277 HydrophobicContact CG-CG2 4.09Å; V277-F294 HydrophobicContact CB-CB 4.32Å; V277-F294 PolarHBondContact N-O 2.91Å; V277-F294 PolarHBondContact O-N 3.12Å; V277-V297 HydrophobicContact CB-CG2 4.12Å; V277-V297 HydrophobicContact CG2-CB 3.92Å; V277-V297 HydrophobicContact CG2-CG2 3.68Å; V277-L312 HydrophobicContact CG1-CD2 4.02Å; V277-L312 HydrophobicContact CG2-CD2 3.9Å; V277-L315 HydrophobicContact CG1-CD1 4.44Å
278	L	90.4	Very high	75.9	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	124.3	171.3	177.9	75.3	0	0	0	108.5	F158 F194 W195 L291 L293 L413	F158-L278 HydrophobicContact CD1-CB 4.36Å; F158-L278 HydrophobicContact CE1-CB 4.02Å; F194-L278 WeakPolarHBondContact CA-O 3.25Å; W195-L278 HydrophobicContact CB-CB 4.09Å; W195-L278 HydrophobicContact CD2-CD2 4.27Å; W195-L278 HydrophobicContact CE3-CB 4.35Å; W195-L278 HydrophobicContact CE3-CD2 3.74Å; W195-L278 HydrophobicContact CE3-CG 3.94Å; W195-L278 HydrophobicContact CZ3-CD2 4.27Å; W195-L278 PolarHBondContact N-O 2.66Å; W195-L278 PolarHBondContact O-N 2.79Å; L278-L291 HydrophobicContact CD1-CD1 3.8Å; L278-L291 HydrophobicContact CD1-CG 4.11Å; L278-L291 HydrophobicContact CG-CD1 4.2Å; L278-L293 HydrophobicContact CB-CD1 4.02Å; L278-L293 HydrophobicContact CD1-CB 4.4Å; L278-L293 HydrophobicContact CD1-CD1 4.18Å; L278-L413 HydrophobicContact CD2-CD1 4.37Å; L278-L413 HydrophobicContact CD2-CD2 3.97Å
279	M	90.1	Very high	78	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	129.6	-179.5	179.1	-176.4	83	0	0	109.2	F194 V281 L291 K292 F294 L315 L316	F194-M279 HydrophobicContact CD1-CB 3.96Å; F194-M279 HydrophobicContact CD1-CG 4Å; F194-M279 HydrophobicContact CE1-CB 3.79Å; F194-M279 HydrophobicContact CE1-CG 3.47Å; F194-M279 VanDerWaalsContact CE1-CG 3.47Å; F194-M279 HydrophobicContact CE1-SD 3.75Å; F194-M279 HydrophobicContact CZ-CG 3.97Å; F194-M279 HydrophobicContact CZ-SD 3.99Å; M279-V281 HydrophobicContact CE-CG2 4.14Å; M279-V281 HydrophobicContact CG-CG2 3.54Å; M279-V281 HydrophobicContact SD-CG2 3.85Å; M279-L291 WeakPolarHBondContact O-CA 3.27Å; M279-K292 HydrophobicContact CE-CB 4.17Å; M279-K292 HydrophobicContact CE-CD 3.95Å; M279-K292 HydrophobicContact CE-CG 4.25Å; M279-K292 PolarHBondContact N-O 2.83Å; M279-K292 PolarHBondContact O-N 3.2Å; M279-F294 HydrophobicContact CB-CD2 4.34Å; M279-F294 HydrophobicContact CB-CE2 3.87Å; M279-F294 HydrophobicContact CE-CE2 4.06Å; M279-F294 HydrophobicContact CE-CZ 4.25Å; M279-F294 HydrophobicContact SD-CE2 4.04Å; M279-L315 HydrophobicContact SD-CB 4.33Å; M279-L316 HydrophobicContact SD-CD2 3.98Å
280	C	88.1	Confident	79.8	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	120.5	170.9	178.7	0	0	0	0	110.1	L146 R193 W195 L289 D290 L291	L146-C280 HydrophobicContact CD2-CB 4.48Å; L146-C280 WeakPolarHBondContact CD2-SG 3.47Å; R193-C280 HydrophobicContact CB-CB 4.49Å; R193-C280 PolarHBondContact N-O 3Å; R193-C280 PolarHBondContact O-N 3.38Å; W195-C280 HydrophobicContact CH2-CB 4.08Å; W195-C280 HydrophobicContact CZ3-CB 3.53Å; C280-L289 VanDerWaalsContact SG-CD2 3.52Å; C280-D290 WeakPolarHBondContact CA-O 3.23Å; C280-L291 HydrophobicContact CB-CD1 3.88Å
281	V	87.8	Confident	81.7	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.012	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	131.3	-171	177	0	0	0	0	110.5	Y189 V191 L192 M279 D290 L316	Y189-V281 HydrophobicContact CD1-CG1 3.39Å; Y189-V281 HydrophobicContact CE1-CG1 3.39Å; V191-V281 CarbonylContact O-C 3.42Å; V191-V281 WeakPolarHBondContact O-CA 3.34Å; L192-V281 HydrophobicContact CD1-CG2 3.83Å; M279-V281 HydrophobicContact CE-CG2 4.14Å; M279-V281 HydrophobicContact CG-CG2 3.54Å; M279-V281 HydrophobicContact SD-CG2 3.85Å; V281-D290 PolarHBondContact N-O 2.86Å; V281-D290 PolarHBondContact O-N 3.07Å; V281-L316 HydrophobicContact CG2-CD2 3.63Å
282	R	85.3	Confident	83.1	Confident	21 Å²	21	38 Å²	38	8%	0.079	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	128.9	165.9	-166.4	-176.7	76.3	-174.4	9.4	109.1	E142 D190 V191	E142-R282 WeakPolarHBondContact OE2-CD 3.42Å; E142-R282 IonicContact OE2-CZ 3.36Å; E142-R282 IonicContact OE2-NH1 3.63Å; E142-R282 PolarHBondContact OE2-NH1 2.99Å; D190-R282 PolarHBondContact N-O 2.78Å; D190-R282 IonicContact OD2-CZ 3.91Å; D190-R282 IonicContact OD2-NE 3.38Å; D190-R282 PolarHBondContact OD2-NE 2.68Å; D190-R282 IonicContact OD2-NH2 2.68Å; D190-R282 PolarHBondContact OD2-NH2 3.46Å; V191-R282 HydrophobicContact CB-CB 3.88Å; V191-R282 HydrophobicContact CG2-CB 4.11Å; V191-R282 PolarHBondContact N-O 3.3Å; V191-R282 PolarHBondContact O-N 2.82Å
283	R	83.9	Confident	84	Confident	74 Å²	74	37.5 Å²	37.5	28%	0.279	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	153.9	177	-54.4	169.6	55.4	-173.2	-7.2	109.9	Y189 N285 S286 N318	Y189-R283 HydrophobicContact CD1-CG 4.07Å; Y189-R283 HydrophobicContact CE1-CG 3.93Å; R283-N285 PolarHBondContact O-N 3.27Å; R283-S286 VanDerWaalsContact CB-OG 3.29Å; R283-S286 WeakPolarHBondContact CB-OG 3.37Å; R283-S286 PolarHBondContact N-OG 3.08Å; R283-S286 VanDerWaalsContact N-OG 3.15Å; R283-S286 PolarHBondContact O-N 2.98Å; R283-S286 PolarHBondContact O-OG 2.9Å; R283-N318 PolarHBondContact NE-ND2 2.8Å; R283-N318 PolarHBondContact NH1-OD1 3.35Å; R283-N318 PolarHBondContact NH2-ND2 2.81Å
284	K	80.1	Confident	84.7	Confident	106 Å²	106	35.8 Å²	35.8	46%	0.461	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-32.8	172.6	-80.8	-179.5	-169.4	165.6	0	113.6	D187 D188 D190	D187-K284 WeakPolarHBondContact O-CD 3.4Å; D187-K284 WeakPolarHBondContact O-CE 3.47Å; D187-K284 PolarHBondContact O-NZ 3.09Å; D188-K284 PolarHBondContact O-N 3.3Å; D188-K284 VanDerWaalsContact O-N 3.13Å; D190-K284 WeakPolarHBondContact OD1-CE 3.38Å; D190-K284 WeakPolarHBondContact OD1-CG 3.42Å
285	N	79.3	Confident	84.9	Confident	140 Å²	140	38.8 Å²	38.8	75%	0.749	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-4	-178.8	-62.1	-5.4	0	0	0	113	R283	R283-N285 PolarHBondContact O-N 3.27Å
286	S	78.1	Confident	84.8	Confident	34 Å²	34	41.8 Å²	41.8	24%	0.238	20%	0.202	C	C	.	.			trans	-112.1	137.5	179.1	68.5	0	0	0	0	110.3	R283 N288	R283-S286 VanDerWaalsContact CB-OG 3.29Å; R283-S286 WeakPolarHBondContact CB-OG 3.37Å; R283-S286 PolarHBondContact N-OG 3.08Å; R283-S286 VanDerWaalsContact N-OG 3.15Å; R283-S286 PolarHBondContact O-N 2.98Å; R283-S286 PolarHBondContact O-OG 2.9Å; S286-N288 VanDerWaalsContact C-N 3.28Å; S286-N288 PolarHBondContact OG-O 3.17Å
287	H	76.8	Confident	84.5	Confident	137 Å²	137	39.4 Å²	39.4	63%	0.634	19%	0.193	S	C	*	.	S	Bend	trans	-80.8	-10.9	173.9	-64.8	-67.1	0	0	0	113.1
288	N	80.1	Confident	83.7	Confident	55 Å²	55	39.4 Å²	39.4	29%	0.294	19%	0.193	S	C	.	.	S	Bend	trans	-105.2	140.3	-173.2	-57.6	3.1	0	0	0	111.3	S286	S286-N288 VanDerWaalsContact C-N 3.28Å; S286-N288 PolarHBondContact OG-O 3.17Å
289	L	83.8	Confident	82.6	Confident	4 Å²	4	39.7 Å²	39.7	2%	0.021	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	120.4	167.7	-177.4	145.7	0	0	0	110	L116 L145 L146 C280 L291	L116-L289 HydrophobicContact CD2-CB 3.9Å; L116-L289 HydrophobicContact CD2-CD2 3.41Å; L116-L289 VanDerWaalsContact CD2-CD2 3.41Å; L116-L289 HydrophobicContact CD2-CG 4.26Å; L116-L289 VanDerWaalsContact CD2-O 3.26Å; L116-L289 WeakPolarHBondContact CD2-O 3.4Å; L145-L289 HydrophobicContact CD2-CD2 4.4Å; L146-L289 HydrophobicContact CD1-CD1 4.08Å; L146-L289 HydrophobicContact CD2-CD1 4.06Å; L146-L289 HydrophobicContact CG-CD1 4.04Å; C280-L289 VanDerWaalsContact SG-CD2 3.52Å; L289-L291 HydrophobicContact CD2-CB 4.45Å
290	D	84.9	Confident	81.2	Confident	63 Å²	63	41 Å²	41	34%	0.337	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	120.1	175.3	-76.9	-18.2	0	0	0	109.8	C280 V281	C280-D290 WeakPolarHBondContact CA-O 3.23Å; V281-D290 PolarHBondContact N-O 2.86Å; V281-D290 PolarHBondContact O-N 3.07Å
291	L	88.1	Confident	79.4	Confident	4 Å²	4	41.7 Å²	41.7	2%	0.021	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	123.4	169.7	-170.9	74	0	0	0	109.2	L149 L278 M279 C280 L289 S405 G406 I410	L149-L291 HydrophobicContact CD1-CD1 4.14Å; L149-L291 HydrophobicContact CD1-CD2 4.47Å; L278-L291 HydrophobicContact CD1-CD1 3.8Å; L278-L291 HydrophobicContact CD1-CG 4.11Å; L278-L291 HydrophobicContact CG-CD1 4.2Å; M279-L291 WeakPolarHBondContact O-CA 3.27Å; C280-L291 HydrophobicContact CB-CD1 3.88Å; L289-L291 HydrophobicContact CD2-CB 4.45Å; L291-S405 CarbonylContact O-C 3.36Å; L291-S405 WeakPolarHBondContact O-CA 3.41Å; L291-G406 PolarHBondContact O-N 3.49Å; L291-I410 HydrophobicContact CD2-CD1 4.01Å; L291-I410 HydrophobicContact CD2-CG1 3.38Å
292	K	89.4	Confident	77.4	Confident	34 Å²	34	44.5 Å²	44.5	15%	0.148	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	141.6	176.4	-63.1	-175.9	-179.2	173.5	0	110.9	M279 F294	M279-K292 HydrophobicContact CE-CB 4.17Å; M279-K292 HydrophobicContact CE-CD 3.95Å; M279-K292 HydrophobicContact CE-CG 4.25Å; M279-K292 PolarHBondContact N-O 2.83Å; M279-K292 PolarHBondContact O-N 3.2Å; K292-F294 HydrophobicContact CB-CD2 4.43Å; K292-F294 HydrophobicContact CB-CE2 3.71Å; K292-F294 HydrophobicContact CB-CZ 3.91Å; K292-F294 HydrophobicContact CD-CZ 3.99Å
293	L	88.8	Confident	75.5	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	127.1	172.2	-176.1	69.5	0	0	0	108.9	F158 R276 L278 Q403 S404 S409 I412	F158-L293 HydrophobicContact CE1-CD1 4.35Å; F158-L293 HydrophobicContact CZ-CD1 4.1Å; R276-L293 HydrophobicContact CB-CD1 4.38Å; L278-L293 HydrophobicContact CB-CD1 4.02Å; L278-L293 HydrophobicContact CD1-CB 4.4Å; L278-L293 HydrophobicContact CD1-CD1 4.18Å; L293-Q403 VanDerWaalsContact CD2-OE1 3.25Å; L293-Q403 WeakPolarHBondContact O-CB 3.35Å; L293-Q403 PolarHBondContact O-N 2.79Å; L293-S404 PolarHBondContact N-O 2.83Å; L293-S404 PolarHBondContact O-N 3.22Å; L293-S409 PolarHBondContact N-OG 3Å; L293-I412 HydrophobicContact CD2-CB 3.88Å; L293-I412 HydrophobicContact CD2-CD1 4.21Å; L293-I412 HydrophobicContact CD2-CG2 3.41Å; L293-I412 VanDerWaalsContact CD2-CG2 3.41Å
294	F	87.7	Confident	73.7	Confident	1 Å²	1	55.3 Å²	55.3	0%	0.004	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	149.9	176.9	-58.1	-88	0	0	0	110.7	R276 V277 M279 K292 V297 L315 Q398 C401 C402	R276-F294 CarbonylContact C-O 3.52Å; R276-F294 WeakPolarHBondContact CA-O 3.48Å; V277-F294 HydrophobicContact CB-CB 4.32Å; V277-F294 PolarHBondContact N-O 2.91Å; V277-F294 PolarHBondContact O-N 3.12Å; M279-F294 HydrophobicContact CB-CD2 4.34Å; M279-F294 HydrophobicContact CB-CE2 3.87Å; M279-F294 HydrophobicContact CE-CE2 4.06Å; M279-F294 HydrophobicContact CE-CZ 4.25Å; M279-F294 HydrophobicContact SD-CE2 4.04Å; K292-F294 HydrophobicContact CB-CD2 4.43Å; K292-F294 HydrophobicContact CB-CE2 3.71Å; K292-F294 HydrophobicContact CB-CZ 3.91Å; K292-F294 HydrophobicContact CD-CZ 3.99Å; F294-V297 HydrophobicContact CB-CG2 3.61Å; F294-L315 HydrophobicContact CB-CD1 4.45Å; F294-L315 HydrophobicContact CD1-CD1 4.45Å; F294-L315 HydrophobicContact CD1-CD2 3.95Å; F294-L315 HydrophobicContact CD2-CD1 3.83Å; F294-L315 HydrophobicContact CE1-CD2 3.95Å; F294-L315 HydrophobicContact CE2-CB 4.09Å; F294-L315 HydrophobicContact CE2-CD1 4.12Å; F294-L315 HydrophobicContact CG-CD1 4Å; F294-L315 HydrophobicContact CG-CD2 4.32Å; F294-L315 HydrophobicContact CZ-CB 4.03Å; F294-L315 HydrophobicContact CZ-CD2 4.3Å; F294-Q398 HydrophobicContact CE1-CG 4.39Å; F294-C401 CarbonylContact C-O 3.59Å; F294-C401 WeakPolarHBondContact CA-O 3.39Å; F294-C401 HydrophobicContact CB-CB 4.31Å; F294-C401 HydrophobicContact CD1-CB 4.06Å; F294-C402 HydrophobicContact CD1-CB 3.99Å; F294-C402 HydrophobicContact CE1-CB 3.9Å
295	E	84.1	Confident	72.3	Confident	64 Å²	64	57.8 Å²	57.8	30%	0.299	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	147	175	-179.6	161.9	-165	0	0	109.7	S275 V297 C401 Q403	S275-E295 WeakPolarHBondContact O-CA 3.34Å; E295-V297 PolarHBondContact O-N 3.27Å; E295-C401 PolarHBondContact N-O 2.79Å; E295-C401 WeakPolarHBondContact O-CA 3.47Å; E295-C401 WeakPolarHBondContact O-CB 3.42Å; E295-Q403 HydrophobicContact CB-CB 4.46Å; E295-Q403 PolarHBondContact OE2-NE2 3.37Å
296	N	79.3	Confident	71.1	Confident	88 Å²	88	52.6 Å²	52.6	47%	0.471	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	50	56.3	176.6	-59.2	-33.3	0	0	0	113	Y273 F274 S275 C401	Y273-N296 HydrophobicContact CD1-CB 4.31Å; Y273-N296 WeakPolarHBondContact CD1-O 3.34Å; F274-N296 CarbonylContact O-C 3.6Å; F274-N296 WeakPolarHBondContact O-CA 3.39Å; F274-N296 PolarHBondContact O-N 2.81Å; S275-N296 PolarHBondContact O-N 3.17Å; N296-C401 PolarHBondContact O-SG 3.05Å
297	V	79.8	Confident	70.3	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	125.1	177.3	-179.3	0	0	0	0	109.4	Y273 F274 V277 F294 E295 L312 L315 C401	Y273-V297 CarbonylContact C-O 3.57Å; Y273-V297 VanDerWaalsContact CA-O 3.31Å; Y273-V297 WeakPolarHBondContact CA-O 3.47Å; F274-V297 HydrophobicContact CB-CB 4.35Å; F274-V297 HydrophobicContact CD2-CB 4.41Å; F274-V297 PolarHBondContact N-O 2.81Å; F274-V297 PolarHBondContact O-N 2.93Å; V277-V297 HydrophobicContact CB-CG2 4.12Å; V277-V297 HydrophobicContact CG2-CB 3.92Å; V277-V297 HydrophobicContact CG2-CG2 3.68Å; F294-V297 HydrophobicContact CB-CG2 3.61Å; E295-V297 PolarHBondContact O-N 3.27Å; V297-L312 HydrophobicContact CG1-CD2 3.87Å; V297-L315 HydrophobicContact CG1-CD1 3.96Å; V297-L315 HydrophobicContact CG2-CD1 3.95Å; V297-C401 HydrophobicContact CG2-CB 4.3Å
298	P	71.5	Confident	69.6	Low	1 Å²	1	47.8 Å²	47.8	1%	0.006	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	135.8	-179.3	27.3	-34	0	0	0	111.6	Y273 N311 M397	Y273-P298 HydrophobicContact CD1-CB 4.17Å; Y273-P298 HydrophobicContact CE1-CB 3.88Å; P298-N311 WeakPolarHBondContact O-CB 3.47Å; P298-N311 PolarHBondContact O-ND2 3.42Å; P298-M397 HydrophobicContact CG-CE 3.37Å; P298-M397 HydrophobicContact CG-SD 4.37Å
299	V	68.1	Low	68.9	Low	5 Å²	5	45.4 Å²	45.4	3%	0.03	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-88.7	141.8	174.3	-170.6	0	0	0	0	109.3	F199 S269 F272 F274 G301 F308	F199-V299 HydrophobicContact CD2-CG2 4.07Å; F199-V299 HydrophobicContact CE2-CB 4.27Å; F199-V299 HydrophobicContact CE2-CG1 4.23Å; F199-V299 HydrophobicContact CE2-CG2 3.85Å; S269-V299 WeakPolarHBondContact CB-O 3.37Å; F272-V299 HydrophobicContact CB-CB 4.29Å; F272-V299 HydrophobicContact CB-CG2 4.36Å; F272-V299 PolarHBondContact O-N 3.35Å; F274-V299 HydrophobicContact CD1-CG2 4.15Å; F274-V299 HydrophobicContact CD2-CG2 3.72Å; F274-V299 HydrophobicContact CE1-CG2 4.04Å; F274-V299 HydrophobicContact CE2-CB 4.44Å; F274-V299 HydrophobicContact CE2-CG1 4.37Å; F274-V299 HydrophobicContact CE2-CG2 3.62Å; F274-V299 HydrophobicContact CG-CG2 3.99Å; F274-V299 HydrophobicContact CZ-CG1 4.22Å; F274-V299 HydrophobicContact CZ-CG2 3.78Å; V299-G301 PolarHBondContact O-N 3.29Å; V299-F308 HydrophobicContact CG1-CD1 4.21Å
300	T	59.7	Low	68.1	Low	29 Å²	29	45.9 Å²	45.9	18%	0.178	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-65.9	134.7	171.7	45.4	0	0	0	0	110.2	T307 D310 N311	T300-T307 PolarHBondContact OG1-O 3.44Å; T300-D310 HydrophobicContact CG2-CB 3.7Å; T300-N311 HydrophobicContact CG2-CB 4.01Å; T300-N311 WeakPolarHBondContact CG2-OD1 3.37Å; T300-N311 PolarHBondContact N-ND2 2.65Å
301	G	50.7	Low	67.4	Low	14 Å²	14	43.3 Å²	43.3	14%	0.144	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-55.9	148.4	163.2	0	0	0	0	0	110.4	E268 V299 V303 S306	E268-G301 WeakPolarHBondContact O-CA 3.42Å; V299-G301 PolarHBondContact O-N 3.29Å; G301-V303 VanDerWaalsContact C-N 3.35Å; G301-V303 PolarHBondContact O-N 2.93Å; G301-S306 PolarHBondContact O-OG 2.89Å
302	I	45.4	Very low	66.8	Low	61 Å²	61	43.2 Å²	43.2	31%	0.313	22%	0.217	S	C	.	.			trans	-72.9	91.3	-173.9	-57.6	165.3	0	0	0	108.5	P468 S470 I471	I302-P468 HydrophobicContact CD1-CG 4.07Å; I302-S470 WeakPolarHBondContact CD1-OG 3.47Å; I302-I471 HydrophobicContact CD1-CD1 3.75Å; I302-I471 HydrophobicContact CD1-CG1 3.33Å
303	V	46.1	Very low	66	Low	79 Å²	79	42 Å²	42	48%	0.479	21%	0.212	S	C	.	.			trans	-67.6	139.6	152.7	-175.8	0	0	0	0	105.4	G301 N305 S306	G301-V303 VanDerWaalsContact C-N 3.35Å; G301-V303 PolarHBondContact O-N 2.93Å; V303-N305 PolarHBondContact O-N 3.3Å; V303-S306 PolarHBondContact N-OG 2.95Å; V303-S306 PolarHBondContact O-N 2.93Å; V303-S306 PolarHBondContact O-OG 2.67Å
304	R	45.5	Very low	65.2	Low	242 Å²	242	43 Å²	43	91%	0.913	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.6	-13.6	-173.2	-66.7	-176.2	-178	-165.5	-0.1	116.2
305	N	51.1	Low	64.7	Low	159 Å²	159	43.4 Å²	43.4	85%	0.85	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-127.4	7	177.3	-65.9	-8.3	0	0	0	114.5	V303	V303-N305 PolarHBondContact O-N 3.3Å
306	S	55	Low	64.6	Low	30 Å²	30	40.7 Å²	40.7	21%	0.21	21%	0.206	C	C	.	.			trans	-75.3	141.9	177.2	52	0	0	0	0	110.6	G301 V303 D310	G301-S306 PolarHBondContact O-OG 2.89Å; V303-S306 PolarHBondContact N-OG 2.95Å; V303-S306 PolarHBondContact O-N 2.93Å; V303-S306 PolarHBondContact O-OG 2.67Å; S306-D310 VanDerWaalsContact CA-OD2 3.24Å; S306-D310 WeakPolarHBondContact CA-OD2 3.38Å; S306-D310 WeakPolarHBondContact CB-OD2 3.35Å
307	T	60	Low	64.1	Low	19 Å²	19	39.2 Å²	39.2	12%	0.117	20%	0.201	C	C	.	.			trans	-88.8	150.8	166.7	70.9	0	0	0	0	109	K168 A169 T300 A309 D310	K168-T307 HydrophobicContact CB-CG2 3.6Å; K168-T307 HydrophobicContact CD-CG2 4.34Å; A169-T307 WeakPolarHBondContact CB-OG1 3.32Å; T300-T307 PolarHBondContact OG1-O 3.44Å; T307-A309 PolarHBondContact O-N 2.8Å; T307-D310 WeakPolarHBondContact CB-OD1 3.04Å; T307-D310 PolarHBondContact N-OD1 3.21Å; T307-D310 VanDerWaalsContact N-OD1 3.09Å; T307-D310 PolarHBondContact N-OD2 3Å; T307-D310 WeakPolarHBondContact O-CB 3.43Å; T307-D310 PolarHBondContact O-N 2.99Å; T307-D310 VanDerWaalsContact O-N 3.08Å; T307-D310 VanDerWaalsContact O-OD1 3.11Å; T307-D310 PolarHBondContact OG1-OD1 3.23Å
308	F	62.6	Low	63.7	Low	51 Å²	51	41.3 Å²	41.3	22%	0.224	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-18.4	173.8	-63.2	-79.9	0	0	0	113.2	L56 F274 V299 I471	L56-F308 HydrophobicContact CD1-CD1 4.45Å; F274-F308 HydrophobicContact CZ-CB 4.49Å; V299-F308 HydrophobicContact CG1-CD1 4.21Å; F308-I471 HydrophobicContact CE1-CG1 4.36Å; F308-I471 HydrophobicContact CZ-CG1 4.26Å; F308-I471 HydrophobicContact CZ-CG2 4.28Å
309	A	64.5	Low	63.5	Low	5 Å²	5	42.8 Å²	42.8	4%	0.041	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-4.2	-178.4	0	0	0	0	0	114.3	I161 A169 T307 N311 L312	I161-A309 HydrophobicContact CD1-CB 4.17Å; I161-A309 HydrophobicContact CG2-CB 4.33Å; A169-A309 HydrophobicContact CB-CB 4.09Å; T307-A309 PolarHBondContact O-N 2.8Å; A309-N311 VanDerWaalsContact C-N 3.34Å; A309-N311 PolarHBondContact O-N 2.98Å; A309-L312 HydrophobicContact CB-CD1 4.15Å; A309-L312 WeakPolarHBondContact O-CB 3.33Å; A309-L312 PolarHBondContact O-N 3.48Å
310	D	67.4	Low	63.6	Low	15 Å²	15	46.9 Å²	46.9	8%	0.08	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-57.7	-43.7	-173.3	-72.5	7.6	0	0	0	112.3	I173 T300 S306 T307 L312	I173-D310 HydrophobicContact CD1-CB 3.75Å; T300-D310 HydrophobicContact CG2-CB 3.7Å; S306-D310 VanDerWaalsContact CA-OD2 3.24Å; S306-D310 WeakPolarHBondContact CA-OD2 3.38Å; S306-D310 WeakPolarHBondContact CB-OD2 3.35Å; T307-D310 WeakPolarHBondContact CB-OD1 3.04Å; T307-D310 PolarHBondContact N-OD1 3.21Å; T307-D310 VanDerWaalsContact N-OD1 3.09Å; T307-D310 PolarHBondContact N-OD2 3Å; T307-D310 WeakPolarHBondContact O-CB 3.43Å; T307-D310 PolarHBondContact O-N 2.99Å; T307-D310 VanDerWaalsContact O-N 3.08Å; T307-D310 VanDerWaalsContact O-OD1 3.11Å; T307-D310 PolarHBondContact OG1-OD1 3.23Å; D310-L312 VanDerWaalsContact C-N 3.33Å; D310-L312 PolarHBondContact O-N 3.33Å
311	N	70.1	Confident	64.1	Low	9 Å²	9	46.7 Å²	46.7	5%	0.048	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-74.1	-22.3	178.2	-86.8	-8.1	0	0	0	113.9	P298 T300 A309 L313 Y314	P298-N311 WeakPolarHBondContact O-CB 3.47Å; P298-N311 PolarHBondContact O-ND2 3.42Å; T300-N311 HydrophobicContact CG2-CB 4.01Å; T300-N311 WeakPolarHBondContact CG2-OD1 3.37Å; T300-N311 PolarHBondContact N-ND2 2.65Å; A309-N311 VanDerWaalsContact C-N 3.34Å; A309-N311 PolarHBondContact O-N 2.98Å; N311-L313 PolarHBondContact O-N 3.43Å; N311-Y314 HydrophobicContact CB-CD2 4.49Å; N311-Y314 PolarHBondContact O-N 2.9Å
312	L	75.2	Confident	64.8	Low	1 Å²	1	47.7 Å²	47.7	1%	0.005	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-66	-26.4	179.3	-58.7	-179.8	0	0	0	111.4	I161 F194 I196 F274 V277 V297 A309 D310 Y314 L315	I161-L312 HydrophobicContact CD1-CD1 3.14Å; F194-L312 HydrophobicContact CD1-CB 4.41Å; F194-L312 HydrophobicContact CE1-CB 4.27Å; F194-L312 HydrophobicContact CZ-CB 4.44Å; I196-L312 HydrophobicContact CG2-CD1 3.84Å; F274-L312 HydrophobicContact CD2-CD2 3.74Å; F274-L312 HydrophobicContact CE2-CD1 4.26Å; F274-L312 HydrophobicContact CE2-CD2 3.74Å; F274-L312 HydrophobicContact CE2-CG 4.11Å; V277-L312 HydrophobicContact CG1-CD2 4.02Å; V277-L312 HydrophobicContact CG2-CD2 3.9Å; V297-L312 HydrophobicContact CG1-CD2 3.87Å; A309-L312 HydrophobicContact CB-CD1 4.15Å; A309-L312 WeakPolarHBondContact O-CB 3.33Å; A309-L312 PolarHBondContact O-N 3.48Å; D310-L312 VanDerWaalsContact C-N 3.33Å; D310-L312 PolarHBondContact O-N 3.33Å; L312-Y314 VanDerWaalsContact C-N 3.26Å; L312-Y314 PolarHBondContact O-N 2.7Å; L312-L315 HydrophobicContact CD2-CD1 4.32Å; L312-L315 VanDerWaalsContact O-CB 3.26Å; L312-L315 WeakPolarHBondContact O-CB 3.18Å; L312-L315 PolarHBondContact O-N 3.03Å
313	L	73.2	Confident	65.6	Low	9 Å²	9	47.5 Å²	47.5	5%	0.047	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-65.7	-29.5	176.9	-63.2	179.5	0	0	0	112.6	A169 I173 V184 N311 L315 L316 L319	A169-L313 HydrophobicContact CB-CD1 3.66Å; A169-L313 HydrophobicContact CB-CG 4.2Å; A169-L313 WeakPolarHBondContact O-CD1 3.44Å; I173-L313 HydrophobicContact CD1-CD1 4.3Å; V184-L313 HydrophobicContact CG2-CB 4.07Å; V184-L313 HydrophobicContact CG2-CD1 4.25Å; V184-L313 HydrophobicContact CG2-CD2 4.24Å; V184-L313 HydrophobicContact CG2-CG 4.43Å; N311-L313 PolarHBondContact O-N 3.43Å; L313-L315 PolarHBondContact O-N 3.48Å; L313-L315 VanDerWaalsContact O-N 3.14Å; L313-L316 HydrophobicContact CB-CD1 4.48Å; L313-L316 HydrophobicContact CD2-CD1 3.66Å; L313-L316 VanDerWaalsContact O-CB 3.29Å; L313-L316 WeakPolarHBondContact O-CB 3.12Å; L313-L316 PolarHBondContact O-N 3.33Å; L313-L319 WeakPolarHBondContact O-CD2 3.04Å
314	Y	73.1	Confident	66.5	Low	20 Å²	20	45.6 Å²	45.6	8%	0.078	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-64.8	-14	173.7	-64.4	-67	0	0	0	112.9	A182 F265 N311 L312 L316 L319 L394	A182-Y314 HydrophobicContact CB-CE1 4.13Å; F265-Y314 HydrophobicContact CD1-CD2 4.36Å; F265-Y314 HydrophobicContact CD1-CE2 4.27Å; F265-Y314 HydrophobicContact CE1-CD1 4.19Å; F265-Y314 AromaticContact CE1-CD2 3.81Å; F265-Y314 HydrophobicContact CE1-CD2 3.81Å; F265-Y314 HydrophobicContact CE1-CE1 4.16Å; F265-Y314 AromaticContact CE1-CE2 3.79Å; F265-Y314 HydrophobicContact CE1-CE2 3.79Å; F265-Y314 HydrophobicContact CE1-CG 4.05Å; F265-Y314 AromaticContact CE1-CZ 3.97Å; N311-Y314 HydrophobicContact CB-CD2 4.49Å; N311-Y314 PolarHBondContact O-N 2.9Å; L312-Y314 VanDerWaalsContact C-N 3.26Å; L312-Y314 PolarHBondContact O-N 2.7Å; Y314-L316 VanDerWaalsContact C-N 3.31Å; Y314-L319 HydrophobicContact CD1-CD1 3.7Å; Y314-L319 HydrophobicContact CE1-CD1 4.5Å; Y314-L394 HydrophobicContact CD1-CD2 3.81Å; Y314-L394 HydrophobicContact CG-CD2 4.25Å; Y314-L394 WeakPolarHBondContact O-CD2 3.46Å
315	L	77.1	Confident	67.7	Low	11 Å²	11	36.4 Å²	36.4	6%	0.058	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-81.5	-10.9	173.4	-55.9	175.2	0	0	0	113	V277 M279 F294 V297 L312 L313	V277-L315 HydrophobicContact CG1-CD1 4.44Å; M279-L315 HydrophobicContact SD-CB 4.33Å; F294-L315 HydrophobicContact CB-CD1 4.45Å; F294-L315 HydrophobicContact CD1-CD1 4.45Å; F294-L315 HydrophobicContact CD1-CD2 3.95Å; F294-L315 HydrophobicContact CD2-CD1 3.83Å; F294-L315 HydrophobicContact CE1-CD2 3.95Å; F294-L315 HydrophobicContact CE2-CB 4.09Å; F294-L315 HydrophobicContact CE2-CD1 4.12Å; F294-L315 HydrophobicContact CG-CD1 4Å; F294-L315 HydrophobicContact CG-CD2 4.32Å; F294-L315 HydrophobicContact CZ-CB 4.03Å; F294-L315 HydrophobicContact CZ-CD2 4.3Å; V297-L315 HydrophobicContact CG1-CD1 3.96Å; V297-L315 HydrophobicContact CG2-CD1 3.95Å; L312-L315 HydrophobicContact CD2-CD1 4.32Å; L312-L315 VanDerWaalsContact O-CB 3.26Å; L312-L315 WeakPolarHBondContact O-CB 3.18Å; L312-L315 PolarHBondContact O-N 3.03Å; L313-L315 PolarHBondContact O-N 3.48Å; L313-L315 VanDerWaalsContact O-N 3.14Å
316	L	80.3	Confident	68.8	Low	7 Å²	7	38 Å²	38	4%	0.037	20%	0.198	C	C	.	.	S	Bend	trans	-72.9	145.4	-178.3	-69.5	172.2	0	0	0	112	V184 L192 F194 M279 V281 L313 Y314 N318	V184-L316 HydrophobicContact CB-CD1 4.5Å; V184-L316 HydrophobicContact CG1-CD1 3.8Å; V184-L316 HydrophobicContact CG2-CD1 4Å; L192-L316 HydrophobicContact CD1-CD1 4.27Å; L192-L316 HydrophobicContact CD1-CD2 3.53Å; F194-L316 HydrophobicContact CE2-CD2 4.15Å; F194-L316 HydrophobicContact CE2-CG 4.47Å; F194-L316 HydrophobicContact CZ-CD2 3.72Å; F194-L316 HydrophobicContact CZ-CG 3.98Å; M279-L316 HydrophobicContact SD-CD2 3.98Å; V281-L316 HydrophobicContact CG2-CD2 3.63Å; L313-L316 HydrophobicContact CB-CD1 4.48Å; L313-L316 HydrophobicContact CD2-CD1 3.66Å; L313-L316 VanDerWaalsContact O-CB 3.29Å; L313-L316 WeakPolarHBondContact O-CB 3.12Å; L313-L316 PolarHBondContact O-N 3.33Å; Y314-L316 VanDerWaalsContact C-N 3.31Å; L316-N318 VanDerWaalsContact C-N 3.29Å; L316-N318 PolarHBondContact O-N 2.86Å
317	P	70.5	Confident	69.7	Low	56 Å²	56	40.5 Å²	40.5	36%	0.364	21%	0.214	S	C	.	.	S	Bend	trans	-67.1	-28.1	-177.4	25.2	-33.8	0	0	0	113.6	Y189	Y189-P317 HydrophobicContact CE1-CG 4.47Å
318	N	70.3	Confident	70.5	Confident	45 Å²	45	40.5 Å²	40.5	24%	0.241	22%	0.216	C	C	.	.			trans	-118.1	112.1	177.2	-75.5	-0.7	0	0	0	110.2	Y189 R283 L316	Y189-N318 WeakPolarHBondContact OH-CB 3.49Å; Y189-N318 PolarHBondContact OH-N 3.28Å; Y189-N318 PolarHBondContact OH-O 2.96Å; R283-N318 PolarHBondContact NE-ND2 2.8Å; R283-N318 PolarHBondContact NH1-OD1 3.35Å; R283-N318 PolarHBondContact NH2-ND2 2.81Å; L316-N318 VanDerWaalsContact C-N 3.29Å; L316-N318 PolarHBondContact O-N 2.86Å
319	L	68.3	Low	71.3	Confident	32 Å²	32	44.1 Å²	44.1	17%	0.168	23%	0.228	C	C	.	.			trans	-108.5	121.2	165.3	-71.7	178.2	0	0	0	108.9	V184 L313 Y314 L394	V184-L319 HydrophobicContact CG2-CD2 3.48Å; V184-L319 VanDerWaalsContact CG2-CD2 3.48Å; L313-L319 WeakPolarHBondContact O-CD2 3.04Å; Y314-L319 HydrophobicContact CD1-CD1 3.7Å; Y314-L319 HydrophobicContact CE1-CD1 4.5Å; L319-L394 HydrophobicContact CB-CD1 4.39Å; L319-L394 HydrophobicContact CD1-CD1 3.41Å; L319-L394 VanDerWaalsContact CD1-CD1 3.41Å; L319-L394 HydrophobicContact CD1-CD2 3.46Å; L319-L394 VanDerWaalsContact CD1-CD2 3.46Å; L319-L394 HydrophobicContact CD1-CG 4.05Å; L319-L394 HydrophobicContact CG-CD1 4.27Å
320	R	70.5	Confident	72.1	Confident	91 Å²	91	49.5 Å²	49.5	34%	0.343	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	136	169.4	-64.8	-175.1	-179.3	-175.1	-0.8	107.9	A182 Y183 D185 D188	A182-R320 WeakPolarHBondContact CA-O 3.33Å; Y183-R320 HydrophobicContact CD1-CB 4.04Å; Y183-R320 WeakPolarHBondContact CD1-O 3.3Å; Y183-R320 HydrophobicContact CD2-CB 4.44Å; Y183-R320 HydrophobicContact CE1-CB 3.61Å; Y183-R320 HydrophobicContact CE2-CB 4.05Å; Y183-R320 HydrophobicContact CG-CB 4.45Å; Y183-R320 PolarHBondContact N-O 2.84Å; Y183-R320 WeakPolarHBondContact O-CB 3.37Å; Y183-R320 PolarHBondContact O-N 3.44Å; Y183-R320 VanDerWaalsContact O-N 3.1Å; D185-R320 IonicContact OD2-CZ 3.19Å; D185-R320 IonicContact OD2-NH1 2.66Å; D185-R320 PolarHBondContact OD2-NH1 3.42Å; D185-R320 IonicContact OD2-NH2 2.98Å; D188-R320 IonicContact OD1-CZ 2.85Å; D188-R320 IonicContact OD1-NH2 2.79Å; D188-R320 PolarHBondContact OD1-NH2 2.95Å; D188-R320 IonicContact OD2-CZ 2.8Å; D188-R320 IonicContact OD2-NE 2.72Å; D188-R320 PolarHBondContact OD2-NE 3.15Å; D188-R320 IonicContact OD2-NH2 3.3Å; D188-R320 PolarHBondContact OD2-NH2 3.5Å
321	T	68.9	Low	72.9	Confident	25 Å²	25	52.1 Å²	52.1	15%	0.153	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	135.9	171.2	55.9	0	0	0	0	108.3	L180 P323 L390	L180-T321 HydrophobicContact CD1-CG2 4.47Å; T321-P323 WeakPolarHBondContact O-CD 3.01Å; T321-L390 HydrophobicContact CG2-CD1 4.05Å; T321-L390 HydrophobicContact CG2-CD2 4.29Å
322	I	66	Low	73.5	Confident	34 Å²	34	53.6 Å²	53.6	17%	0.174	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	122.1	162.9	-69.8	167.4	0	0	0	106.1	L180 I181 Y183 L324	L180-I322 WeakPolarHBondContact CD2-O 3.41Å; I181-I322 HydrophobicContact CB-CB 4.1Å; I181-I322 HydrophobicContact CB-CD1 3.85Å; I181-I322 HydrophobicContact CB-CG1 4.35Å; I181-I322 HydrophobicContact CD1-CD1 4.36Å; I181-I322 HydrophobicContact CG2-CD1 3.79Å; I181-I322 PolarHBondContact O-N 3.19Å; Y183-I322 HydrophobicContact CD1-CD1 4.09Å; Y183-I322 HydrophobicContact CD1-CG1 3.58Å; Y183-I322 HydrophobicContact CE1-CD1 4.41Å; Y183-I322 HydrophobicContact CE1-CG1 3.54Å; I322-L324 VanDerWaalsContact C-N 3.25Å; I322-L324 PolarHBondContact O-N 2.97Å
323	P	63.1	Low	74.1	Confident	58 Å²	58	58.7 Å²	58.7	38%	0.377	31%	0.306	S	S	.	.	S	Bend	trans	-63.3	-34.5	-166.8	20.3	-32.2	0	0	0	112.3	T321 Y383	T321-P323 WeakPolarHBondContact O-CD 3.01Å; P323-Y383 HydrophobicContact CB-CD2 4.46Å; P323-Y383 HydrophobicContact CB-CE2 3.88Å; P323-Y383 WeakPolarHBondContact O-CD2 3.39Å; P323-Y383 WeakPolarHBondContact O-CE2 3.32Å
324	L	64.9	Low	74.7	Confident	39 Å²	39	63.6 Å²	63.6	20%	0.204	33%	0.331	C	S	.	.	S	Bend	trans	-145.4	135.4	-166.5	-74.6	145	0	0	0	111.6	I322 S328 R329 I332 V379	I322-L324 VanDerWaalsContact C-N 3.25Å; I322-L324 PolarHBondContact O-N 2.97Å; L324-S328 WeakPolarHBondContact CB-OG 3.27Å; L324-S328 VanDerWaalsContact CD2-OG 3.27Å; L324-S328 WeakPolarHBondContact CD2-OG 3.48Å; L324-R329 HydrophobicContact CB-CG 3.61Å; L324-R329 PolarHBondContact O-NE 3.35Å; L324-I332 HydrophobicContact CD1-CD1 3.28Å; L324-I332 HydrophobicContact CD2-CD1 3.5Å; L324-I332 VanDerWaalsContact CD2-CD1 3.5Å; L324-I332 HydrophobicContact CG-CD1 3.96Å; L324-V379 HydrophobicContact CD2-CG1 3.44Å; L324-V379 VanDerWaalsContact CD2-CG1 3.44Å
325	S	69.5	Low	75.3	Confident	48 Å²	48	63 Å²	63	34%	0.336	33%	0.33	S	S	.	.			trans	-57.3	155.6	167.7	69.2	0	0	0	0	111.3	S327 S328 R329	S325-S327 PolarHBondContact O-N 3.02Å; S325-S327 VanDerWaalsContact O-N 3.15Å; S325-S327 PolarHBondContact OG-OG 2.94Å; S325-S328 PolarHBondContact N-OG 3.05Å; S325-S328 PolarHBondContact O-N 3.03Å; S325-S328 VanDerWaalsContact O-N 3.1Å; S325-S328 PolarHBondContact O-OG 3.18Å; S325-S328 WeakPolarHBondContact OG-CB 3.4Å; S325-S328 PolarHBondContact OG-N 3.33Å; S325-S328 PolarHBondContact OG-OG 2.96Å; S325-R329 WeakPolarHBondContact O-CG 3.24Å; S325-R329 PolarHBondContact O-N 3.44Å
326	K	74.1	Confident	75.7	Confident	194 Å²	194	65.1 Å²	65.1	84%	0.843	34%	0.344	S	S	*	.	H	α-helix	trans	-54.1	-37.7	179.3	-66.8	-173.7	179.7	-175.3	0	112.8	L330	K326-L330 PolarHBondContact O-N 3.47Å; K326-L330 VanDerWaalsContact O-N 3.1Å
327	S	74.1	Confident	76	Confident	81 Å²	81	67.8 Å²	67.8	57%	0.566	36%	0.36	S	S	*	.	H	α-helix	trans	-70.1	-42.3	178.1	53.8	0	0	0	0	112.7	S325 L330 V331	S325-S327 PolarHBondContact O-N 3.02Å; S325-S327 VanDerWaalsContact O-N 3.15Å; S325-S327 PolarHBondContact OG-OG 2.94Å; S327-L330 WeakPolarHBondContact O-CB 3.41Å; S327-L330 PolarHBondContact O-N 3.35Å; S327-V331 WeakPolarHBondContact O-CG2 3.25Å; S327-V331 PolarHBondContact O-N 2.66Å
328	S	76.6	Confident	76.7	Confident	20 Å²	20	67.7 Å²	67.7	14%	0.14	36%	0.359	C	S	.	.	H	α-helix	trans	-68.6	-34.4	177.6	55.7	0	0	0	0	112.2	L324 S325 V331 I332	L324-S328 WeakPolarHBondContact CB-OG 3.27Å; L324-S328 VanDerWaalsContact CD2-OG 3.27Å; L324-S328 WeakPolarHBondContact CD2-OG 3.48Å; S325-S328 PolarHBondContact N-OG 3.05Å; S325-S328 PolarHBondContact O-N 3.03Å; S325-S328 VanDerWaalsContact O-N 3.1Å; S325-S328 PolarHBondContact O-OG 3.18Å; S325-S328 WeakPolarHBondContact OG-CB 3.4Å; S325-S328 PolarHBondContact OG-N 3.33Å; S325-S328 PolarHBondContact OG-OG 2.96Å; S328-V331 PolarHBondContact O-N 3.3Å; S328-I332 VanDerWaalsContact O-CG1 3.28Å; S328-I332 WeakPolarHBondContact O-CG1 3.31Å; S328-I332 PolarHBondContact O-N 2.88Å
329	R	79.7	Confident	77.4	Confident	127 Å²	127	66.4 Å²	66.4	48%	0.479	35%	0.354	S	S	.	.	H	α-helix	trans	-61.3	-42.7	169.3	-67.2	-179.1	-172.9	-156.5	-5.7	112.3	L324 S325 V331 I332 L333	L324-R329 HydrophobicContact CB-CG 3.61Å; L324-R329 PolarHBondContact O-NE 3.35Å; S325-R329 WeakPolarHBondContact O-CG 3.24Å; S325-R329 PolarHBondContact O-N 3.44Å; R329-V331 VanDerWaalsContact C-N 3.34Å; R329-I332 PolarHBondContact O-N 2.92Å; R329-L333 WeakPolarHBondContact O-CB 3.45Å; R329-L333 PolarHBondContact O-N 2.94Å
330	L	81.8	Confident	78.3	Confident	117 Å²	117	69.6 Å²	69.6	61%	0.613	38%	0.375	S	S	*	.	H	α-helix	trans	-63.2	-42.1	176	-176.4	68.9	0	0	0	111.2	K326 S327 L333 L334	K326-L330 PolarHBondContact O-N 3.47Å; K326-L330 VanDerWaalsContact O-N 3.1Å; S327-L330 WeakPolarHBondContact O-CB 3.41Å; S327-L330 PolarHBondContact O-N 3.35Å; L330-L333 PolarHBondContact O-N 3.35Å; L330-L334 WeakPolarHBondContact O-CB 3.32Å; L330-L334 PolarHBondContact O-N 3.45Å
331	V	82.9	Confident	79	Confident	70 Å²	70	68.3 Å²	68.3	42%	0.424	38%	0.379	S	S	.	.	H	α-helix	trans	-62.1	-43.3	175.7	172	0	0	0	0	111.2	S327 S328 R329 L334 S335 V379	S327-V331 WeakPolarHBondContact O-CG2 3.25Å; S327-V331 PolarHBondContact O-N 2.66Å; S328-V331 PolarHBondContact O-N 3.3Å; R329-V331 VanDerWaalsContact C-N 3.34Å; V331-L334 PolarHBondContact O-N 3.05Å; V331-S335 WeakPolarHBondContact O-CB 3.45Å; V331-S335 PolarHBondContact O-N 3.47Å; V331-S335 PolarHBondContact O-OG 3.17Å; V331-S335 VanDerWaalsContact O-OG 3.08Å; V331-V379 HydrophobicContact CG1-CG2 4.38Å
332	I	84.6	Confident	79.7	Confident	40 Å²	40	68.2 Å²	68.2	21%	0.205	38%	0.379	C	S	.	.	H	α-helix	trans	-64.9	-44.1	176.5	-69.6	162.9	0	0	0	111.2	L324 S328 R329 L334 S335 T336 L376 V379	L324-I332 HydrophobicContact CD1-CD1 3.28Å; L324-I332 HydrophobicContact CD2-CD1 3.5Å; L324-I332 VanDerWaalsContact CD2-CD1 3.5Å; L324-I332 HydrophobicContact CG-CD1 3.96Å; S328-I332 VanDerWaalsContact O-CG1 3.28Å; S328-I332 WeakPolarHBondContact O-CG1 3.31Å; S328-I332 PolarHBondContact O-N 2.88Å; R329-I332 PolarHBondContact O-N 2.92Å; I332-L334 VanDerWaalsContact C-N 3.33Å; I332-L334 PolarHBondContact O-N 3.11Å; I332-S335 WeakPolarHBondContact CA-OG 3.24Å; I332-S335 PolarHBondContact O-N 3.22Å; I332-S335 PolarHBondContact O-OG 2.93Å; I332-S335 VanDerWaalsContact O-OG 3.12Å; I332-T336 HydrophobicContact CG2-CG2 4.12Å; I332-T336 WeakPolarHBondContact O-CB 3.46Å; I332-T336 VanDerWaalsContact O-CG2 3.24Å; I332-T336 WeakPolarHBondContact O-CG2 3.26Å; I332-T336 PolarHBondContact O-N 3.22Å; I332-T336 PolarHBondContact O-OG1 2.83Å; I332-L376 HydrophobicContact CB-CD2 4.14Å; I332-L376 HydrophobicContact CG1-CD2 3.87Å; I332-L376 HydrophobicContact CG2-CD2 3.86Å; I332-V379 HydrophobicContact CD1-CG1 3.78Å; I332-V379 HydrophobicContact CG1-CG1 4.08Å
333	L	86.1	Confident	80.4	Confident	108 Å²	108	70.3 Å²	70.3	57%	0.565	39%	0.39	S	S	*	.	H	α-helix	trans	-64.1	-41.6	178.4	-172	140	0	0	0	110.7	R329 L330 T336 T337	R329-L333 WeakPolarHBondContact O-CB 3.45Å; R329-L333 PolarHBondContact O-N 2.94Å; L330-L333 PolarHBondContact O-N 3.35Å; L333-T336 WeakPolarHBondContact CA-OG1 3.33Å; L333-T336 PolarHBondContact O-OG1 3.16Å; L333-T336 VanDerWaalsContact O-OG1 3.13Å; L333-T337 HydrophobicContact CD2-CG2 4.25Å; L333-T337 HydrophobicContact CG-CG2 4.44Å; L333-T337 VanDerWaalsContact O-CB 3.3Å; L333-T337 WeakPolarHBondContact O-CB 3.32Å; L333-T337 WeakPolarHBondContact O-CG2 3.17Å; L333-T337 PolarHBondContact O-N 3.4Å; L333-T337 PolarHBondContact O-OG1 2.91Å
334	L	86.6	Confident	81.2	Confident	112 Å²	112	69.8 Å²	69.8	59%	0.586	40%	0.396	S	S	*	.	H	α-helix	trans	-65.4	-43.9	175.8	-171.3	63.5	0	0	0	111.8	L330 V331 I332 T337 T338	L330-L334 WeakPolarHBondContact O-CB 3.32Å; L330-L334 PolarHBondContact O-N 3.45Å; V331-L334 PolarHBondContact O-N 3.05Å; I332-L334 VanDerWaalsContact C-N 3.33Å; I332-L334 PolarHBondContact O-N 3.11Å; L334-T337 WeakPolarHBondContact CA-OG1 3.18Å; L334-T337 PolarHBondContact O-OG1 3.32Å; L334-T338 WeakPolarHBondContact O-CB 3.23Å; L334-T338 WeakPolarHBondContact O-CG2 3.33Å; L334-T338 PolarHBondContact O-N 3.35Å; L334-T338 PolarHBondContact O-OG1 3.23Å
335	S	84.7	Confident	82.1	Confident	8 Å²	8	71.6 Å²	71.6	6%	0.056	41%	0.408	C	S	.	.	H	α-helix	trans	-72.2	-34.7	-179.6	63.1	0	0	0	0	113.3	V331 I332 T338 A339 A372 L376	V331-S335 WeakPolarHBondContact O-CB 3.45Å; V331-S335 PolarHBondContact O-N 3.47Å; V331-S335 PolarHBondContact O-OG 3.17Å; V331-S335 VanDerWaalsContact O-OG 3.08Å; I332-S335 WeakPolarHBondContact CA-OG 3.24Å; I332-S335 PolarHBondContact O-N 3.22Å; I332-S335 PolarHBondContact O-OG 2.93Å; I332-S335 VanDerWaalsContact O-OG 3.12Å; S335-T338 WeakPolarHBondContact CA-OG1 3.44Å; S335-T338 PolarHBondContact O-OG1 3.11Å; S335-A339 WeakPolarHBondContact O-CB 3.39Å; S335-A339 PolarHBondContact O-N 3.38Å; S335-A372 WeakPolarHBondContact O-CB 3.42Å; S335-L376 VanDerWaalsContact OG-CD2 3.25Å; S335-L376 WeakPolarHBondContact OG-CD2 3.39Å; S335-L376 WeakPolarHBondContact OG-CG 3.35Å
336	T	86.2	Confident	82.7	Confident	56 Å²	56	73.1 Å²	73.1	34%	0.344	41%	0.412	S	S	.	.	H	α-helix	trans	-71.7	-43.5	175.7	50.9	0	0	0	0	111.7	I332 L333 A339 V340 L376	I332-T336 HydrophobicContact CG2-CG2 4.12Å; I332-T336 WeakPolarHBondContact O-CB 3.46Å; I332-T336 VanDerWaalsContact O-CG2 3.24Å; I332-T336 WeakPolarHBondContact O-CG2 3.26Å; I332-T336 PolarHBondContact O-N 3.22Å; I332-T336 PolarHBondContact O-OG1 2.83Å; L333-T336 WeakPolarHBondContact CA-OG1 3.33Å; L333-T336 PolarHBondContact O-OG1 3.16Å; L333-T336 VanDerWaalsContact O-OG1 3.13Å; T336-A339 PolarHBondContact O-N 3.03Å; T336-V340 WeakPolarHBondContact O-CB 3.36Å; T336-V340 VanDerWaalsContact O-CG2 3.29Å; T336-V340 WeakPolarHBondContact O-CG2 3.29Å; T336-V340 PolarHBondContact O-N 3.3Å; T336-L376 HydrophobicContact CG2-CD1 4.19Å; T336-L376 HydrophobicContact CG2-CD2 4.25Å
337	T	87.1	Confident	83	Confident	62 Å²	62	65.2 Å²	65.2	38%	0.38	38%	0.381	S	S	.	.	H	α-helix	trans	-62.8	-43	175.3	51	0	0	0	0	111.4	L333 L334 V340 C341	L333-T337 HydrophobicContact CD2-CG2 4.25Å; L333-T337 HydrophobicContact CG-CG2 4.44Å; L333-T337 VanDerWaalsContact O-CB 3.3Å; L333-T337 WeakPolarHBondContact O-CB 3.32Å; L333-T337 WeakPolarHBondContact O-CG2 3.17Å; L333-T337 PolarHBondContact O-N 3.4Å; L333-T337 PolarHBondContact O-OG1 2.91Å; L334-T337 WeakPolarHBondContact CA-OG1 3.18Å; L334-T337 PolarHBondContact O-OG1 3.32Å; T337-V340 PolarHBondContact O-N 2.78Å; T337-C341 VanDerWaalsContact O-CB 3.28Å; T337-C341 WeakPolarHBondContact O-CB 3.22Å; T337-C341 PolarHBondContact O-N 3.01Å; T337-C341 PolarHBondContact O-SG 2.72Å
338	T	84.9	Confident	83.3	Confident	55 Å²	55	64 Å²	64	34%	0.337	37%	0.371	S	S	.	.	H	α-helix	trans	-63.6	-43.3	175.4	56.3	0	0	0	0	111.9	L334 S335 C341 C342	L334-T338 WeakPolarHBondContact O-CB 3.23Å; L334-T338 WeakPolarHBondContact O-CG2 3.33Å; L334-T338 PolarHBondContact O-N 3.35Å; L334-T338 PolarHBondContact O-OG1 3.23Å; S335-T338 WeakPolarHBondContact CA-OG1 3.44Å; S335-T338 PolarHBondContact O-OG1 3.11Å; T338-C341 PolarHBondContact O-N 2.84Å; T338-C342 VanDerWaalsContact O-CB 3.25Å; T338-C342 WeakPolarHBondContact O-CB 3.26Å; T338-C342 PolarHBondContact O-N 3.39Å; T338-C342 PolarHBondContact O-SG 3.43Å
339	A	85.1	Confident	83.4	Confident	18 Å²	18	67 Å²	67	15%	0.149	38%	0.384	C	S	.	.	H	α-helix	trans	-62.1	-45.1	177.2	0	0	0	0	0	112.5	S335 T336 L343 A372	S335-A339 WeakPolarHBondContact O-CB 3.39Å; S335-A339 PolarHBondContact O-N 3.38Å; T336-A339 PolarHBondContact O-N 3.03Å; A339-L343 WeakPolarHBondContact O-CB 3.45Å; A339-L343 PolarHBondContact O-N 3.48Å; A339-A372 HydrophobicContact CB-CB 4.01Å
340	V	87	Confident	83.2	Confident	99 Å²	99	61.8 Å²	61.8	60%	0.6	37%	0.369	S	S	*	.	H	α-helix	trans	-67.8	-42.2	179	173.3	0	0	0	0	111.4	T336 T337 G344	T336-V340 WeakPolarHBondContact O-CB 3.36Å; T336-V340 VanDerWaalsContact O-CG2 3.29Å; T336-V340 WeakPolarHBondContact O-CG2 3.29Å; T336-V340 PolarHBondContact O-N 3.3Å; T337-V340 PolarHBondContact O-N 2.78Å; V340-G344 VanDerWaalsContact O-CA 3.29Å; V340-G344 WeakPolarHBondContact O-CA 3.36Å; V340-G344 PolarHBondContact O-N 2.76Å
341	C	85.7	Confident	82.9	Confident	64 Å²	64	65.5 Å²	65.5	43%	0.432	38%	0.375	S	S	.	.	I	π-helix	trans	-64.7	-43.6	176.3	-72.7	0	0	0	0	111.7	T337 T338 V345 I346	T337-C341 VanDerWaalsContact O-CB 3.28Å; T337-C341 WeakPolarHBondContact O-CB 3.22Å; T337-C341 PolarHBondContact O-N 3.01Å; T337-C341 PolarHBondContact O-SG 2.72Å; T338-C341 PolarHBondContact O-N 2.84Å; C341-V345 WeakPolarHBondContact O-CB 3.45Å; C341-V345 PolarHBondContact O-N 2.92Å; C341-I346 WeakPolarHBondContact O-CG1 3.41Å; C341-I346 PolarHBondContact O-N 2.94Å
342	C	83	Confident	82.6	Confident	22 Å²	22	68 Å²	68	15%	0.149	39%	0.385	C	S	.	.	I	π-helix	trans	-66.7	-47.3	179.8	-71.3	0	0	0	0	112.7	T338 S347	T338-C342 VanDerWaalsContact O-CB 3.25Å; T338-C342 WeakPolarHBondContact O-CB 3.26Å; T338-C342 PolarHBondContact O-N 3.39Å; T338-C342 PolarHBondContact O-SG 3.43Å; C342-S347 WeakPolarHBondContact O-CB 3.28Å; C342-S347 PolarHBondContact O-N 2.85Å
343	L	80.2	Confident	82.1	Confident	78 Å²	78	74.2 Å²	74.2	41%	0.408	41%	0.411	S	S	.	.	I	π-helix	trans	-83.4	-37.7	-177.7	-70.5	178.6	0	0	0	114.1	A339 P348 T369	A339-L343 WeakPolarHBondContact O-CB 3.45Å; A339-L343 PolarHBondContact O-N 3.48Å; L343-P348 WeakPolarHBondContact O-CD 3.4Å; L343-T369 HydrophobicContact CD1-CG2 3.58Å; L343-T369 HydrophobicContact CG-CG2 4.09Å; L343-T369 WeakPolarHBondContact CG-OG1 3.39Å
344	G	81.6	Confident	81.2	Confident	48 Å²	48	72.6 Å²	72.6	50%	0.495	40%	0.403	S	S	.	.	I	π-helix	trans	-91.5	-26.1	-171	0	0	0	0	0	114.6	V340 P348	V340-G344 VanDerWaalsContact O-CA 3.29Å; V340-G344 WeakPolarHBondContact O-CA 3.36Å; V340-G344 PolarHBondContact O-N 2.76Å; G344-P348 WeakPolarHBondContact O-CG 3.26Å
345	V	82.3	Confident	80	Confident	77 Å²	77	72.7 Å²	72.7	47%	0.467	41%	0.413	S	S	.	.	I	π-helix	trans	-117.3	-55.6	-175.3	-178.7	0	0	0	0	110.7	C341 P348 I349	C341-V345 WeakPolarHBondContact O-CB 3.45Å; C341-V345 PolarHBondContact O-N 2.92Å; V345-P348 WeakPolarHBondContact O-CD 3.35Å; V345-I349 HydrophobicContact CG1-CD1 3.48Å; V345-I349 VanDerWaalsContact CG1-CD1 3.48Å; V345-I349 HydrophobicContact CG1-CG1 4.48Å; V345-I349 WeakPolarHBondContact O-CB 3.47Å; V345-I349 WeakPolarHBondContact O-CD1 3.11Å; V345-I349 WeakPolarHBondContact O-CG1 3.46Å; V345-I349 PolarHBondContact O-N 2.55Å
346	I	82.2	Confident	79.3	Confident	80 Å²	80	78.8 Å²	78.8	41%	0.41	45%	0.445	S	S	.	.	I	π-helix	trans	-68.8	-45.4	-173.5	-63.9	168.4	0	0	0	111.2	C341 A350 V361	C341-I346 WeakPolarHBondContact O-CG1 3.41Å; C341-I346 PolarHBondContact O-N 2.94Å; I346-A350 WeakPolarHBondContact O-CB 3.35Å; I346-A350 PolarHBondContact O-N 3.05Å; I346-V361 HydrophobicContact CG2-CG1 3.96Å
347	S	80.5	Confident	78.7	Confident	27 Å²	27	80.6 Å²	80.6	19%	0.189	45%	0.453	C	S	.	.	H	α-helix	trans	-61.9	-49.4	179.5	168.3	0	0	0	0	113	C342 A350 W351 L362	C342-S347 WeakPolarHBondContact O-CB 3.28Å; C342-S347 PolarHBondContact O-N 2.85Å; S347-A350 PolarHBondContact O-N 2.95Å; S347-W351 PolarHBondContact O-N 3.17Å; S347-L362 VanDerWaalsContact OG-CD2 3.3Å; S347-L362 WeakPolarHBondContact OG-CD2 3.48Å
348	P	79.8	Confident	78.2	Confident	56 Å²	56	82.8 Å²	82.8	36%	0.364	45%	0.454	S	S	.	.	H	α-helix	trans	-68	-36.8	177	-24.6	36.4	0	0	0	114.3	L343 G344 V345 W351 L352	L343-P348 WeakPolarHBondContact O-CD 3.4Å; G344-P348 WeakPolarHBondContact O-CG 3.26Å; V345-P348 WeakPolarHBondContact O-CD 3.35Å; P348-W351 WeakPolarHBondContact O-CB 3.44Å; P348-W351 PolarHBondContact O-N 3.41Å; P348-L352 WeakPolarHBondContact O-CG 3.17Å; P348-L352 PolarHBondContact O-N 2.77Å
349	I	79	Confident	78	Confident	82 Å²	82	85 Å²	85	42%	0.421	47%	0.465	S	S	.	.	H	α-helix	trans	-66.6	-43.2	176.4	-71	175.1	0	0	0	110.2	V345 W351 L352 F353	V345-I349 HydrophobicContact CG1-CD1 3.48Å; V345-I349 VanDerWaalsContact CG1-CD1 3.48Å; V345-I349 HydrophobicContact CG1-CG1 4.48Å; V345-I349 WeakPolarHBondContact O-CB 3.47Å; V345-I349 WeakPolarHBondContact O-CD1 3.11Å; V345-I349 WeakPolarHBondContact O-CG1 3.46Å; V345-I349 PolarHBondContact O-N 2.55Å; I349-W351 PolarHBondContact O-N 2.87Å; I349-L352 PolarHBondContact O-N 3.31Å; I349-L352 VanDerWaalsContact O-N 3.12Å; I349-F353 HydrophobicContact CB-CD2 4.46Å; I349-F353 HydrophobicContact CG2-CD2 3.56Å; I349-F353 HydrophobicContact CG2-CE2 3.98Å; I349-F353 WeakPolarHBondContact O-CD2 3.04Å; I349-F353 PolarHBondContact O-N 3.01Å
350	A	76.6	Confident	77.8	Confident	18 Å²	18	89.2 Å²	89.2	15%	0.149	48%	0.484	C	S	.	.	H	α-helix	trans	-60.4	-38.5	175	0	0	0	0	0	111.4	I346 S347 D354 V361	I346-A350 WeakPolarHBondContact O-CB 3.35Å; I346-A350 PolarHBondContact O-N 3.05Å; S347-A350 PolarHBondContact O-N 2.95Å; A350-D354 PolarHBondContact O-N 3.34Å; A350-V361 HydrophobicContact CB-CB 4.06Å; A350-V361 HydrophobicContact CB-CG1 3.56Å; A350-V361 HydrophobicContact CB-CG2 4.43Å
351	W	75.9	Confident	77.6	Confident	196 Å²	196	86.7 Å²	86.7	74%	0.742	47%	0.469	S	S	*	.	H	α-helix	trans	-65.1	-36.5	174	-173	77.3	0	0	0	113.2	S347 P348 I349	S347-W351 PolarHBondContact O-N 3.17Å; P348-W351 WeakPolarHBondContact O-CB 3.44Å; P348-W351 PolarHBondContact O-N 3.41Å; I349-W351 PolarHBondContact O-N 2.87Å
352	L	76.6	Confident	77.3	Confident	122 Å²	122	86.8 Å²	86.8	64%	0.639	46%	0.464	S	S	*	.	H	α-helix	trans	-78.7	-37.5	-179.7	-75.5	172.4	0	0	0	114.2	P348 I349	P348-L352 WeakPolarHBondContact O-CG 3.17Å; P348-L352 PolarHBondContact O-N 2.77Å; I349-L352 PolarHBondContact O-N 3.31Å; I349-L352 VanDerWaalsContact O-N 3.12Å
353	F	72.8	Confident	77.4	Confident	171 Å²	171	88.5 Å²	88.5	75%	0.75	48%	0.48	S	S	*	.	H	α-helix	trans	-100.1	-25.9	-168.8	-77.2	-79.5	0	0	0	115	I349	I349-F353 HydrophobicContact CB-CD2 4.46Å; I349-F353 HydrophobicContact CG2-CD2 3.56Å; I349-F353 HydrophobicContact CG2-CE2 3.98Å; I349-F353 WeakPolarHBondContact O-CD2 3.04Å; I349-F353 PolarHBondContact O-N 3.01Å
354	D	66.7	Low	77.5	Confident	74 Å²	74	93.5 Å²	93.5	40%	0.396	49%	0.494	S	S	.	.			trans	-133.7	92.6	-169.1	-160.1	-2	0	0	0	112	A350 N356	A350-D354 PolarHBondContact O-N 3.34Å; D354-N356 PolarHBondContact O-N 3.46Å
355	S	63.1	Low	77.7	Confident	114 Å²	114	91.5 Å²	91.5	80%	0.797	47%	0.472	S	S	*	.	S	Bend	trans	-69	-14	-179.1	60.2	0	0	0	0	113.8
356	N	69.9	Low	77.8	Confident	136 Å²	136	93.6 Å²	93.6	73%	0.727	48%	0.478	S	S	*	.	S	Bend	trans	-101.1	-25.4	-169	-146.1	31.7	0	0	0	114.4	D354	D354-N356 PolarHBondContact O-N 3.46Å
357	N	73.2	Confident	78.1	Confident	94 Å²	94	92 Å²	92	50%	0.503	48%	0.477	S	S	.	.	S	Bend	trans	-123.7	26.5	-174.5	-75.5	-32.5	0	0	0	114.3	D359	N357-D359 PolarHBondContact O-N 3.27Å
358	Y	77.1	Confident	78.4	Confident	107 Å²	107	92.6 Å²	92.6	42%	0.42	48%	0.483	S	S	.	.	H	α-helix	trans	-64.2	-38.5	-175.1	73.5	-89.2	0	0	0	113.6	L360 V361 L362	Y358-L360 PolarHBondContact O-N 3.43Å; Y358-V361 PolarHBondContact O-N 2.81Å; Y358-L362 HydrophobicContact CD2-CD1 3.99Å; Y358-L362 WeakPolarHBondContact O-CB 3.43Å; Y358-L362 WeakPolarHBondContact O-CG 3.49Å; Y358-L362 PolarHBondContact O-N 3.36Å
359	D	80.4	Confident	78.7	Confident	103 Å²	103	90.5 Å²	90.5	55%	0.551	47%	0.469	S	S	*	.	H	α-helix	trans	-60.9	-42.3	-177.4	-80.9	-30.8	0	0	0	112.7	N357 L362 A363	N357-D359 PolarHBondContact O-N 3.27Å; D359-L362 PolarHBondContact O-N 3.3Å; D359-A363 WeakPolarHBondContact O-CB 3.44Å; D359-A363 PolarHBondContact O-N 3.02Å
360	L	81.3	Confident	79.2	Confident	106 Å²	106	89.6 Å²	89.6	56%	0.555	47%	0.471	S	S	*	.	H	α-helix	trans	-65	-48.2	179.6	-174.6	64	0	0	0	110	Y358 L362 A363 W364	Y358-L360 PolarHBondContact O-N 3.43Å; L360-L362 VanDerWaalsContact C-N 3.31Å; L360-L362 PolarHBondContact O-N 3.4Å; L360-A363 PolarHBondContact O-N 3.31Å; L360-W364 PolarHBondContact O-N 3.12Å
361	V	80.8	Confident	79.7	Confident	46 Å²	46	92.4 Å²	92.4	28%	0.279	49%	0.488	S	S	.	.	H	α-helix	trans	-62.3	-40.3	-179.9	-178.2	0	0	0	0	111.1	I346 A350 Y358 W364 S365	I346-V361 HydrophobicContact CG2-CG1 3.96Å; A350-V361 HydrophobicContact CB-CB 4.06Å; A350-V361 HydrophobicContact CB-CG1 3.56Å; A350-V361 HydrophobicContact CB-CG2 4.43Å; Y358-V361 PolarHBondContact O-N 2.81Å; V361-W364 PolarHBondContact O-N 2.89Å; V361-S365 WeakPolarHBondContact O-CB 3.47Å; V361-S365 PolarHBondContact O-N 3.42Å; V361-S365 PolarHBondContact O-OG 3Å
362	L	81	Confident	80.3	Confident	66 Å²	66	83.2 Å²	83.2	35%	0.346	45%	0.454	S	S	.	.	H	α-helix	trans	-62	-46.8	174.1	-74.5	176.9	0	0	0	111.7	S347 Y358 D359 L360 W364 S365 M366	S347-L362 VanDerWaalsContact OG-CD2 3.3Å; S347-L362 WeakPolarHBondContact OG-CD2 3.48Å; Y358-L362 HydrophobicContact CD2-CD1 3.99Å; Y358-L362 WeakPolarHBondContact O-CB 3.43Å; Y358-L362 WeakPolarHBondContact O-CG 3.49Å; Y358-L362 PolarHBondContact O-N 3.36Å; D359-L362 PolarHBondContact O-N 3.3Å; L360-L362 VanDerWaalsContact C-N 3.31Å; L360-L362 PolarHBondContact O-N 3.4Å; L362-W364 PolarHBondContact O-N 3.4Å; L362-S365 WeakPolarHBondContact CA-OG 3.49Å; L362-S365 PolarHBondContact O-N 3.48Å; L362-S365 PolarHBondContact O-OG 3.38Å; L362-M366 WeakPolarHBondContact O-CB 3.47Å; L362-M366 WeakPolarHBondContact O-CG 3.5Å; L362-M366 PolarHBondContact O-N 2.72Å
363	A	84.3	Confident	80.7	Confident	57 Å²	57	82.2 Å²	82.2	47%	0.471	45%	0.448	S	S	.	.	H	α-helix	trans	-59.1	-45.2	177.8	0	0	0	0	0	112.4	D359 L360 M366 A367	D359-A363 WeakPolarHBondContact O-CB 3.44Å; D359-A363 PolarHBondContact O-N 3.02Å; L360-A363 PolarHBondContact O-N 3.31Å; A363-M366 PolarHBondContact O-N 3.07Å; A363-A367 WeakPolarHBondContact O-CB 3.26Å; A363-A367 PolarHBondContact O-N 2.91Å
364	W	83.3	Confident	81.4	Confident	184 Å²	184	77.7 Å²	77.7	70%	0.697	44%	0.435	S	S	*	.	H	α-helix	trans	-63.7	-40.9	175	-75.5	103.9	0	0	0	112.2	L360 V361 L362 A367 A368	L360-W364 PolarHBondContact O-N 3.12Å; V361-W364 PolarHBondContact O-N 2.89Å; L362-W364 PolarHBondContact O-N 3.4Å; W364-A367 PolarHBondContact O-N 3.26Å; W364-A368 WeakPolarHBondContact O-CB 3.5Å; W364-A368 PolarHBondContact O-N 2.92Å
365	S	85.1	Confident	82.4	Confident	5 Å²	5	76.9 Å²	76.9	4%	0.035	43%	0.432	C	S	.	.	H	α-helix	trans	-64.4	-39.3	176.9	78	0	0	0	0	112.1	V361 L362 T369	V361-S365 WeakPolarHBondContact O-CB 3.47Å; V361-S365 PolarHBondContact O-N 3.42Å; V361-S365 PolarHBondContact O-OG 3Å; L362-S365 WeakPolarHBondContact CA-OG 3.49Å; L362-S365 PolarHBondContact O-N 3.48Å; L362-S365 PolarHBondContact O-OG 3.38Å; S365-T369 WeakPolarHBondContact O-CB 3.26Å; S365-T369 PolarHBondContact O-N 3.08Å; S365-T369 PolarHBondContact O-OG1 3.3Å
366	M	85.2	Confident	83.5	Confident	121 Å²	121	73.9 Å²	73.9	60%	0.596	41%	0.407	S	S	*	.	H	α-helix	trans	-69.7	-40.7	176.6	-74.5	-65.1	-72.5	0	0	111.7	L362 A363 T369 S370	L362-M366 WeakPolarHBondContact O-CB 3.47Å; L362-M366 WeakPolarHBondContact O-CG 3.5Å; L362-M366 PolarHBondContact O-N 2.72Å; A363-M366 PolarHBondContact O-N 3.07Å; M366-T369 PolarHBondContact O-N 2.85Å; M366-S370 WeakPolarHBondContact O-CB 3.49Å; M366-S370 PolarHBondContact O-N 3.23Å; M366-S370 PolarHBondContact O-OG 3.29Å
367	A	87.1	Confident	84.3	Confident	48 Å²	48	70.5 Å²	70.5	40%	0.397	39%	0.394	S	S	.	.	H	α-helix	trans	-63.9	-44.8	174.2	0	0	0	0	0	111.8	A363 W364 T369 S370 C371	A363-A367 WeakPolarHBondContact O-CB 3.26Å; A363-A367 PolarHBondContact O-N 2.91Å; W364-A367 PolarHBondContact O-N 3.26Å; A367-T369 VanDerWaalsContact C-N 3.32Å; A367-T369 PolarHBondContact O-N 3.22Å; A367-S370 PolarHBondContact O-N 3.29Å; A367-S370 PolarHBondContact O-OG 2.87Å; A367-C371 PolarHBondContact O-N 3.27Å; A367-C371 PolarHBondContact O-SG 3.08Å
368	A	86.8	Confident	85	Confident	38 Å²	38	70.3 Å²	70.3	31%	0.314	39%	0.392	S	S	.	.	H	α-helix	trans	-62	-41	175.8	0	0	0	0	0	111.8	W364 A372	W364-A368 WeakPolarHBondContact O-CB 3.5Å; W364-A368 PolarHBondContact O-N 2.92Å; A368-A372 PolarHBondContact O-N 2.9Å
369	T	87.5	Confident	85.3	Confident	12 Å²	12	66.2 Å²	66.2	7%	0.074	38%	0.379	C	S	.	.	H	α-helix	trans	-67.3	-42.2	177.5	-55.2	0	0	0	0	111.8	L343 S365 M366 A367 C371 A372 I373	L343-T369 HydrophobicContact CD1-CG2 3.58Å; L343-T369 HydrophobicContact CG-CG2 4.09Å; L343-T369 WeakPolarHBondContact CG-OG1 3.39Å; S365-T369 WeakPolarHBondContact O-CB 3.26Å; S365-T369 PolarHBondContact O-N 3.08Å; S365-T369 PolarHBondContact O-OG1 3.3Å; M366-T369 PolarHBondContact O-N 2.85Å; A367-T369 VanDerWaalsContact C-N 3.32Å; A367-T369 PolarHBondContact O-N 3.22Å; T369-C371 PolarHBondContact O-N 3.37Å; T369-A372 WeakPolarHBondContact O-CB 3.4Å; T369-A372 PolarHBondContact O-N 3.49Å; T369-A372 VanDerWaalsContact O-N 3.13Å; T369-I373 HydrophobicContact CG2-CD1 3.89Å; T369-I373 HydrophobicContact CG2-CG1 4.39Å; T369-I373 WeakPolarHBondContact O-CG1 3.43Å; T369-I373 PolarHBondContact O-N 3.05Å
370	S	87.9	Confident	85.5	Confident	64 Å²	64	68.7 Å²	68.7	45%	0.448	38%	0.38	S	S	.	.	H	α-helix	trans	-66.1	-37.9	178.4	69.9	0	0	0	0	112	M366 A367 A372 I373 T374	M366-S370 WeakPolarHBondContact O-CB 3.49Å; M366-S370 PolarHBondContact O-N 3.23Å; M366-S370 PolarHBondContact O-OG 3.29Å; A367-S370 PolarHBondContact O-N 3.29Å; A367-S370 PolarHBondContact O-OG 2.87Å; S370-A372 VanDerWaalsContact C-N 3.35Å; S370-I373 PolarHBondContact O-N 3.14Å; S370-T374 WeakPolarHBondContact O-CG2 3.3Å; S370-T374 PolarHBondContact O-N 3.47Å; S370-T374 PolarHBondContact O-OG1 3.27Å
371	C	87.1	Confident	85.7	Confident	76 Å²	76	67.7 Å²	67.7	51%	0.514	38%	0.379	S	S	.	.	H	α-helix	trans	-61.9	-40.7	169.4	-73	0	0	0	0	112.2	A367 T369 T374 T375	A367-C371 PolarHBondContact O-N 3.27Å; A367-C371 PolarHBondContact O-SG 3.08Å; T369-C371 PolarHBondContact O-N 3.37Å; C371-T374 WeakPolarHBondContact CA-OG1 2.85Å; C371-T374 PolarHBondContact O-OG1 3.46Å; C371-T375 WeakPolarHBondContact O-CG2 3.07Å; C371-T375 PolarHBondContact O-N 3.46Å; C371-T375 VanDerWaalsContact O-N 3.1Å; C371-T375 PolarHBondContact O-OG1 3.05Å
372	A	88.3	Confident	85.7	Confident	4 Å²	4	71.8 Å²	71.8	3%	0.033	39%	0.389	C	S	.	.	H	α-helix	trans	-64.7	-43	175.3	0	0	0	0	0	112.3	S335 A339 A368 T369 S370 T375 L376	S335-A372 WeakPolarHBondContact O-CB 3.42Å; A339-A372 HydrophobicContact CB-CB 4.01Å; A368-A372 PolarHBondContact O-N 2.9Å; T369-A372 WeakPolarHBondContact O-CB 3.4Å; T369-A372 PolarHBondContact O-N 3.49Å; T369-A372 VanDerWaalsContact O-N 3.13Å; S370-A372 VanDerWaalsContact C-N 3.35Å; A372-T375 PolarHBondContact O-OG1 3.09Å; A372-L376 WeakPolarHBondContact O-CB 3.46Å; A372-L376 VanDerWaalsContact O-CG 3.26Å; A372-L376 WeakPolarHBondContact O-CG 3.31Å; A372-L376 PolarHBondContact O-N 3.47Å
373	I	85.8	Confident	85.8	Confident	101 Å²	101	70.4 Å²	70.4	52%	0.518	38%	0.379	S	S	.	.	H	α-helix	trans	-65.6	-43.6	178.4	-67.6	165.9	0	0	0	111.3	T369 S370 L376 S377	T369-I373 HydrophobicContact CG2-CD1 3.89Å; T369-I373 HydrophobicContact CG2-CG1 4.39Å; T369-I373 WeakPolarHBondContact O-CG1 3.43Å; T369-I373 PolarHBondContact O-N 3.05Å; S370-I373 PolarHBondContact O-N 3.14Å; I373-L376 PolarHBondContact O-N 3.38Å; I373-S377 WeakPolarHBondContact O-CB 3.34Å; I373-S377 PolarHBondContact O-N 3.44Å
374	T	88.5	Confident	85.6	Confident	76 Å²	76	73.5 Å²	73.5	47%	0.466	38%	0.379	S	S	.	.	H	α-helix	trans	-64.9	-41.2	179.6	49.6	0	0	0	0	111.9	S370 C371 S377 I378	S370-T374 WeakPolarHBondContact O-CG2 3.3Å; S370-T374 PolarHBondContact O-N 3.47Å; S370-T374 PolarHBondContact O-OG1 3.27Å; C371-T374 WeakPolarHBondContact CA-OG1 2.85Å; C371-T374 PolarHBondContact O-OG1 3.46Å; T374-S377 PolarHBondContact O-N 3.23Å; T374-I378 VanDerWaalsContact O-CG1 3.29Å; T374-I378 WeakPolarHBondContact O-CG1 3.32Å; T374-I378 PolarHBondContact O-N 2.99Å
375	T	86	Confident	85.5	Confident	56 Å²	56	70 Å²	70	34%	0.344	37%	0.366	S	S	.	.	H	α-helix	trans	-65	-40.5	174.6	53.1	0	0	0	0	112.3	C371 A372 I378 V379	C371-T375 WeakPolarHBondContact O-CG2 3.07Å; C371-T375 PolarHBondContact O-N 3.46Å; C371-T375 VanDerWaalsContact O-N 3.1Å; C371-T375 PolarHBondContact O-OG1 3.05Å; A372-T375 PolarHBondContact O-OG1 3.09Å; T375-I378 PolarHBondContact O-N 3.29Å; T375-V379 VanDerWaalsContact O-CG2 3.31Å; T375-V379 WeakPolarHBondContact O-CG2 3.39Å; T375-V379 PolarHBondContact O-N 3.31Å; T375-V379 VanDerWaalsContact O-N 3.09Å
376	L	86.5	Confident	85	Confident	52 Å²	52	70.7 Å²	70.7	27%	0.272	37%	0.372	S	S	.	.	H	α-helix	trans	-61	-44.8	172.7	-74	169.9	0	0	0	112	I332 S335 T336 A372 I373 V379 W380	I332-L376 HydrophobicContact CB-CD2 4.14Å; I332-L376 HydrophobicContact CG1-CD2 3.87Å; I332-L376 HydrophobicContact CG2-CD2 3.86Å; S335-L376 VanDerWaalsContact OG-CD2 3.25Å; S335-L376 WeakPolarHBondContact OG-CD2 3.39Å; S335-L376 WeakPolarHBondContact OG-CG 3.35Å; T336-L376 HydrophobicContact CG2-CD1 4.19Å; T336-L376 HydrophobicContact CG2-CD2 4.25Å; A372-L376 WeakPolarHBondContact O-CB 3.46Å; A372-L376 VanDerWaalsContact O-CG 3.26Å; A372-L376 WeakPolarHBondContact O-CG 3.31Å; A372-L376 PolarHBondContact O-N 3.47Å; I373-L376 PolarHBondContact O-N 3.38Å; L376-V379 PolarHBondContact O-N 2.95Å; L376-W380 WeakPolarHBondContact O-CB 3.47Å; L376-W380 PolarHBondContact O-N 3Å
377	S	87.7	Confident	84.8	Confident	64 Å²	64	67.9 Å²	67.9	45%	0.448	36%	0.357	S	S	.	.	H	α-helix	trans	-61.7	-43.9	178.1	-177.2	0	0	0	0	112.2	I373 T374 V379 W380 V381	I373-S377 WeakPolarHBondContact O-CB 3.34Å; I373-S377 PolarHBondContact O-N 3.44Å; T374-S377 PolarHBondContact O-N 3.23Å; S377-V379 PolarHBondContact O-N 3.27Å; S377-W380 WeakPolarHBondContact O-CB 3.07Å; S377-W380 PolarHBondContact O-N 3.11Å; S377-V381 WeakPolarHBondContact O-CG2 3.39Å; S377-V381 PolarHBondContact O-N 2.91Å
378	I	86.5	Confident	84.4	Confident	90 Å²	90	68.6 Å²	68.6	46%	0.462	36%	0.356	S	S	.	.	H	α-helix	trans	-62.1	-43.5	176.7	-68	163.5	0	0	0	111.2	T374 T375 W380 R382	T374-I378 VanDerWaalsContact O-CG1 3.29Å; T374-I378 WeakPolarHBondContact O-CG1 3.32Å; T374-I378 PolarHBondContact O-N 2.99Å; T375-I378 PolarHBondContact O-N 3.29Å; I378-W380 VanDerWaalsContact C-N 3.34Å; I378-R382 WeakPolarHBondContact O-CG 3.43Å; I378-R382 PolarHBondContact O-N 2.94Å
379	V	84.1	Confident	83.9	Confident	22 Å²	22	69.7 Å²	69.7	13%	0.133	36%	0.357	C	S	.	.	H	α-helix	trans	-65.2	-40.5	177.9	174	0	0	0	0	110.8	L324 V331 I332 T375 L376 S377 R382 Y383	L324-V379 HydrophobicContact CD2-CG1 3.44Å; L324-V379 VanDerWaalsContact CD2-CG1 3.44Å; V331-V379 HydrophobicContact CG1-CG2 4.38Å; I332-V379 HydrophobicContact CD1-CG1 3.78Å; I332-V379 HydrophobicContact CG1-CG1 4.08Å; T375-V379 VanDerWaalsContact O-CG2 3.31Å; T375-V379 WeakPolarHBondContact O-CG2 3.39Å; T375-V379 PolarHBondContact O-N 3.31Å; T375-V379 VanDerWaalsContact O-N 3.09Å; L376-V379 PolarHBondContact O-N 2.95Å; S377-V379 PolarHBondContact O-N 3.27Å; V379-R382 PolarHBondContact O-N 3.31Å; V379-Y383 PolarHBondContact O-N 3.48Å
380	W	84.2	Confident	83.2	Confident	154 Å²	154	69.6 Å²	69.6	58%	0.583	36%	0.356	S	S	*	.	H	α-helix	trans	-62.8	-46.6	176.3	-176.1	-104.8	0	0	0	112.8	L376 S377 I378 R382 Y383 W384	L376-W380 WeakPolarHBondContact O-CB 3.47Å; L376-W380 PolarHBondContact O-N 3Å; S377-W380 WeakPolarHBondContact O-CB 3.07Å; S377-W380 PolarHBondContact O-N 3.11Å; I378-W380 VanDerWaalsContact C-N 3.34Å; W380-R382 VanDerWaalsContact C-N 3.33Å; W380-R382 PolarHBondContact O-N 3.08Å; W380-Y383 WeakPolarHBondContact O-CB 3.45Å; W380-Y383 PolarHBondContact O-N 2.91Å; W380-W384 AromaticContact CD1-CD1 3.72Å; W380-W384 AromaticContact CD2-CD1 3.8Å; W380-W384 AromaticContact CD2-NE1 3.84Å; W380-W384 AromaticContact CE2-CD1 3.38Å; W380-W384 AromaticContact CE2-NE1 3.04Å; W380-W384 AromaticContact CH2-NE1 3.71Å; W380-W384 AromaticContact CZ2-CD1 3.83Å; W380-W384 HydrophobicContact CZ2-CZ2 4.43Å; W380-W384 AromaticContact CZ2-NE1 2.99Å; W380-W384 AromaticContact NE1-CD1 3.29Å; W380-W384 VanDerWaalsContact NE1-CD1 3.29Å; W380-W384 AromaticContact NE1-NE1 3.25Å; W380-W384 PolarHBondContact O-N 3.05Å
381	V	85.7	Confident	82.7	Confident	86 Å²	86	68.4 Å²	68.4	52%	0.521	35%	0.35	S	S	.	.	H	α-helix	trans	-62.1	-40.9	177	170.7	0	0	0	0	111.2	S377 W384 R385	S377-V381 WeakPolarHBondContact O-CG2 3.39Å; S377-V381 PolarHBondContact O-N 2.91Å; V381-W384 PolarHBondContact O-N 3.15Å; V381-R385 WeakPolarHBondContact O-CB 3.11Å; V381-R385 PolarHBondContact O-N 3.18Å
382	R	82.1	Confident	82.2	Confident	131 Å²	131	69.3 Å²	69.3	49%	0.494	35%	0.35	S	S	.	.	H	α-helix	trans	-62.9	-42.4	175.4	-77.8	-179.5	171.9	165.5	0.9	112.3	I378 V379 W380 A386	I378-R382 WeakPolarHBondContact O-CG 3.43Å; I378-R382 PolarHBondContact O-N 2.94Å; V379-R382 PolarHBondContact O-N 3.31Å; W380-R382 VanDerWaalsContact C-N 3.33Å; W380-R382 PolarHBondContact O-N 3.08Å; R382-A386 WeakPolarHBondContact O-CB 3.34Å; R382-A386 PolarHBondContact O-N 3.46Å
383	Y	82.5	Confident	81.4	Confident	37 Å²	37	70.2 Å²	70.2	15%	0.145	35%	0.354	C	S	.	.	H	α-helix	trans	-60.5	-52.3	175.9	170.2	-110.5	0	0	0	111.7	L180 P323 V379 W380 R385 A386 Q387	L180-Y383 HydrophobicContact CD2-CD2 3.88Å; L180-Y383 HydrophobicContact CD2-CE2 3.84Å; P323-Y383 HydrophobicContact CB-CD2 4.46Å; P323-Y383 HydrophobicContact CB-CE2 3.88Å; P323-Y383 WeakPolarHBondContact O-CD2 3.39Å; P323-Y383 WeakPolarHBondContact O-CE2 3.32Å; V379-Y383 PolarHBondContact O-N 3.48Å; W380-Y383 WeakPolarHBondContact O-CB 3.45Å; W380-Y383 PolarHBondContact O-N 2.91Å; Y383-R385 VanDerWaalsContact C-N 3.35Å; Y383-R385 PolarHBondContact O-N 3.17Å; Y383-A386 PolarHBondContact O-N 3.28Å; Y383-A386 VanDerWaalsContact O-N 3.17Å; Y383-Q387 VanDerWaalsContact CE1-OE1 3.24Å; Y383-Q387 PolarHBondContact O-N 3.15Å; Y383-Q387 PolarHBondContact OH-OE1 2.85Å
384	W	80.5	Confident	80.9	Confident	122 Å²	122	66.9 Å²	66.9	46%	0.462	34%	0.337	S	S	.	.	H	α-helix	trans	-59.4	-44.3	179.2	-90.2	97.7	0	0	0	112.4	W380 V381 A386 Q387 T388	W380-W384 AromaticContact CD1-CD1 3.72Å; W380-W384 AromaticContact CD2-CD1 3.8Å; W380-W384 AromaticContact CD2-NE1 3.84Å; W380-W384 AromaticContact CE2-CD1 3.38Å; W380-W384 AromaticContact CE2-NE1 3.04Å; W380-W384 AromaticContact CH2-NE1 3.71Å; W380-W384 AromaticContact CZ2-CD1 3.83Å; W380-W384 HydrophobicContact CZ2-CZ2 4.43Å; W380-W384 AromaticContact CZ2-NE1 2.99Å; W380-W384 AromaticContact NE1-CD1 3.29Å; W380-W384 VanDerWaalsContact NE1-CD1 3.29Å; W380-W384 AromaticContact NE1-NE1 3.25Å; W380-W384 PolarHBondContact O-N 3.05Å; V381-W384 PolarHBondContact O-N 3.15Å; W384-A386 VanDerWaalsContact C-N 3.32Å; W384-A386 PolarHBondContact O-N 3.42Å; W384-Q387 PolarHBondContact O-N 3.33Å; W384-T388 WeakPolarHBondContact O-CG2 3.29Å; W384-T388 PolarHBondContact O-N 2.82Å; W384-T388 PolarHBondContact O-OG1 3.12Å
385	R	79.7	Confident	80.4	Confident	112 Å²	112	70.2 Å²	70.2	42%	0.423	35%	0.345	S	S	.	.	H	α-helix	trans	-61.5	-40.6	176.9	-171.7	171.4	-177	164.9	-6.6	112.3	S251 V381 Y383 Q387 T388 N389	S251-R385 PolarHBondContact O-NH1 2.92Å; V381-R385 WeakPolarHBondContact O-CB 3.11Å; V381-R385 PolarHBondContact O-N 3.18Å; Y383-R385 VanDerWaalsContact C-N 3.35Å; Y383-R385 PolarHBondContact O-N 3.17Å; R385-Q387 VanDerWaalsContact C-N 3.35Å; R385-T388 WeakPolarHBondContact CA-OG1 3.45Å; R385-T388 PolarHBondContact O-OG1 3.41Å; R385-N389 WeakPolarHBondContact O-CB 3.45Å; R385-N389 PolarHBondContact O-N 3.31Å; R385-N389 PolarHBondContact O-OD1 3.08Å
386	A	76.3	Confident	79.8	Confident	19 Å²	19	70.8 Å²	70.8	16%	0.157	34%	0.341	C	S	.	.	H	α-helix	trans	-65.5	-40.1	175.7	0	0	0	0	0	111.6	L180 R382 Y383 W384 N389 L390	L180-A386 HydrophobicContact CD1-CB 3.48Å; L180-A386 VanDerWaalsContact CD1-CB 3.48Å; L180-A386 HydrophobicContact CG-CB 3.77Å; R382-A386 WeakPolarHBondContact O-CB 3.34Å; R382-A386 PolarHBondContact O-N 3.46Å; Y383-A386 PolarHBondContact O-N 3.28Å; Y383-A386 VanDerWaalsContact O-N 3.17Å; W384-A386 VanDerWaalsContact C-N 3.32Å; W384-A386 PolarHBondContact O-N 3.42Å; A386-N389 PolarHBondContact O-N 2.99Å; A386-L390 WeakPolarHBondContact O-CB 3.38Å; A386-L390 PolarHBondContact O-N 3.01Å
387	Q	80.3	Confident	79	Confident	62 Å²	62	68.5 Å²	68.5	29%	0.29	33%	0.329	S	S	.	.	H	α-helix	trans	-67.5	-42.7	178.2	-174.9	177.1	-6.7	0	0	112.1	L180 Y383 W384 R385 L390 A391	L180-Q387 HydrophobicContact CD1-CB 4.46Å; Y383-Q387 VanDerWaalsContact CE1-OE1 3.24Å; Y383-Q387 PolarHBondContact O-N 3.15Å; Y383-Q387 PolarHBondContact OH-OE1 2.85Å; W384-Q387 PolarHBondContact O-N 3.33Å; R385-Q387 VanDerWaalsContact C-N 3.35Å; Q387-L390 PolarHBondContact O-N 2.75Å; Q387-A391 WeakPolarHBondContact O-CB 3.09Å; Q387-A391 PolarHBondContact O-N 3.02Å
388	T	77.6	Confident	78.6	Confident	62 Å²	62	69.4 Å²	69.4	38%	0.38	33%	0.327	S	S	.	.	H	α-helix	trans	-65.2	-40.4	176.7	53.8	0	0	0	0	111.6	W384 R385 A391 N392	W384-T388 WeakPolarHBondContact O-CG2 3.29Å; W384-T388 PolarHBondContact O-N 2.82Å; W384-T388 PolarHBondContact O-OG1 3.12Å; R385-T388 WeakPolarHBondContact CA-OG1 3.45Å; R385-T388 PolarHBondContact O-OG1 3.41Å; T388-A391 PolarHBondContact O-N 2.6Å; T388-N392 WeakPolarHBondContact O-CB 3.24Å; T388-N392 VanDerWaalsContact O-CG 3.26Å; T388-N392 PolarHBondContact O-N 3.21Å; T388-N392 PolarHBondContact O-ND2 2.74Å
389	N	76.6	Confident	78.1	Confident	62 Å²	62	74 Å²	74	33%	0.332	34%	0.339	S	S	.	.	H	α-helix	trans	-63.1	-45.9	176.5	-73.2	0.5	0	0	0	111.1	R385 A386 A391 N392 N393	R385-N389 WeakPolarHBondContact O-CB 3.45Å; R385-N389 PolarHBondContact O-N 3.31Å; R385-N389 PolarHBondContact O-OD1 3.08Å; A386-N389 PolarHBondContact O-N 2.99Å; N389-A391 PolarHBondContact O-N 3.1Å; N389-N392 PolarHBondContact O-N 3.22Å; N389-N393 VanDerWaalsContact O-CB 3.31Å; N389-N393 WeakPolarHBondContact O-CB 2.85Å; N389-N393 VanDerWaalsContact O-CG 3.28Å; N389-N393 PolarHBondContact O-N 2.84Å
390	L	72.7	Confident	77.6	Confident	10 Å²	10	77 Å²	77	5%	0.052	35%	0.354	C	S	.	.	H	α-helix	trans	-59.1	-49.2	175.4	-176.7	148.4	0	0	0	110.9	L180 A182 T321 A386 Q387 N392 N393 L394	L180-L390 HydrophobicContact CD1-CD1 4.49Å; A182-L390 HydrophobicContact CB-CD1 4.41Å; T321-L390 HydrophobicContact CG2-CD1 4.05Å; T321-L390 HydrophobicContact CG2-CD2 4.29Å; A386-L390 WeakPolarHBondContact O-CB 3.38Å; A386-L390 PolarHBondContact O-N 3.01Å; Q387-L390 PolarHBondContact O-N 2.75Å; L390-N392 VanDerWaalsContact C-N 3.34Å; L390-N392 PolarHBondContact O-N 3.48Å; L390-N393 PolarHBondContact O-N 3.42Å; L390-L394 HydrophobicContact CD2-CD1 3.62Å; L390-L394 HydrophobicContact CD2-CG 4.12Å; L390-L394 VanDerWaalsContact O-CG 3.3Å; L390-L394 WeakPolarHBondContact O-CG 3.5Å; L390-L394 PolarHBondContact O-N 2.97Å
391	A	78.3	Confident	77.3	Confident	39 Å²	39	70 Å²	70	32%	0.322	33%	0.329	S	S	.	.	H	α-helix	trans	-60.4	-40.6	179.7	0	0	0	0	0	113.1	Q387 T388 N389 L394 K395	Q387-A391 WeakPolarHBondContact O-CB 3.09Å; Q387-A391 PolarHBondContact O-N 3.02Å; T388-A391 PolarHBondContact O-N 2.6Å; N389-A391 PolarHBondContact O-N 3.1Å; A391-L394 PolarHBondContact O-N 3.46Å; A391-K395 WeakPolarHBondContact O-CG 3.35Å; A391-K395 PolarHBondContact O-N 2.83Å; A391-K395 VanDerWaalsContact O-N 3.1Å
392	N	76.6	Confident	77.1	Confident	94 Å²	94	68 Å²	68	50%	0.503	32%	0.318	S	S	.	.	H	α-helix	trans	-66.7	-41.7	176.6	-72.6	-16.5	0	0	0	111.7	T388 N389 L390 L394 K395 Y396	T388-N392 WeakPolarHBondContact O-CB 3.24Å; T388-N392 VanDerWaalsContact O-CG 3.26Å; T388-N392 PolarHBondContact O-N 3.21Å; T388-N392 PolarHBondContact O-ND2 2.74Å; N389-N392 PolarHBondContact O-N 3.22Å; L390-N392 VanDerWaalsContact C-N 3.34Å; L390-N392 PolarHBondContact O-N 3.48Å; N392-L394 PolarHBondContact O-N 2.92Å; N392-K395 PolarHBondContact O-N 2.9Å; N392-Y396 WeakPolarHBondContact O-CB 3.19Å; N392-Y396 PolarHBondContact O-N 2.74Å
393	N	70.8	Confident	76.9	Confident	23 Å²	23	65 Å²	65	12%	0.123	31%	0.31	C	S	.	.	H	α-helix	trans	-63.8	-39.2	177.1	-79.6	3.1	0	0	0	112.2	H178 F265 N389 L390 Y396 M397	H178-N393 PolarHBondContact CE1-ND2 2.8Å; H178-N393 PolarHBondContact NE2-ND2 3.01Å; H178-N393 VanDerWaalsContact NE2-ND2 3.1Å; F265-N393 HydrophobicContact CE2-CB 3.94Å; F265-N393 HydrophobicContact CZ-CB 4.36Å; N389-N393 VanDerWaalsContact O-CB 3.31Å; N389-N393 WeakPolarHBondContact O-CB 2.85Å; N389-N393 VanDerWaalsContact O-CG 3.28Å; N389-N393 PolarHBondContact O-N 2.84Å; L390-N393 PolarHBondContact O-N 3.42Å; N393-Y396 PolarHBondContact O-N 2.81Å; N393-M397 WeakPolarHBondContact O-CB 3.47Å; N393-M397 VanDerWaalsContact O-CG 3.26Å; N393-M397 WeakPolarHBondContact O-CG 3.4Å; N393-M397 PolarHBondContact O-N 3.48Å
394	L	75.7	Confident	77	Confident	31 Å²	31	63.6 Å²	63.6	16%	0.162	31%	0.305	C	S	.	.	H	α-helix	trans	-63.5	-45	173.1	-65.1	179.3	0	0	0	112.3	Y314 L319 L390 A391 N392 Y396 M397 Q398	Y314-L394 HydrophobicContact CD1-CD2 3.81Å; Y314-L394 HydrophobicContact CG-CD2 4.25Å; Y314-L394 WeakPolarHBondContact O-CD2 3.46Å; L319-L394 HydrophobicContact CB-CD1 4.39Å; L319-L394 HydrophobicContact CD1-CD1 3.41Å; L319-L394 VanDerWaalsContact CD1-CD1 3.41Å; L319-L394 HydrophobicContact CD1-CD2 3.46Å; L319-L394 VanDerWaalsContact CD1-CD2 3.46Å; L319-L394 HydrophobicContact CD1-CG 4.05Å; L319-L394 HydrophobicContact CG-CD1 4.27Å; L390-L394 HydrophobicContact CD2-CD1 3.62Å; L390-L394 HydrophobicContact CD2-CG 4.12Å; L390-L394 VanDerWaalsContact O-CG 3.3Å; L390-L394 WeakPolarHBondContact O-CG 3.5Å; L390-L394 PolarHBondContact O-N 2.97Å; A391-L394 PolarHBondContact O-N 3.46Å; N392-L394 PolarHBondContact O-N 2.92Å; L394-Y396 VanDerWaalsContact C-N 3.27Å; L394-Y396 PolarHBondContact O-N 2.75Å; L394-M397 PolarHBondContact O-N 3.43Å; L394-Q398 WeakPolarHBondContact O-CB 3.42Å; L394-Q398 PolarHBondContact O-N 3.31Å
395	K	77.3	Confident	77.2	Confident	147 Å²	147	61 Å²	61	64%	0.639	31%	0.306	S	S	*	.	H	α-helix	trans	-60.6	-40.3	176.1	-73.8	177.6	179.7	-178.3	0	111.3	A391 N392 Q398 Y399	A391-K395 WeakPolarHBondContact O-CG 3.35Å; A391-K395 PolarHBondContact O-N 2.83Å; A391-K395 VanDerWaalsContact O-N 3.1Å; N392-K395 PolarHBondContact O-N 2.9Å; K395-Q398 PolarHBondContact O-N 2.77Å; K395-Y399 WeakPolarHBondContact O-CB 3.43Å; K395-Y399 PolarHBondContact O-N 3.15Å
396	Y	73.9	Confident	77.4	Confident	67 Å²	67	56.3 Å²	56.3	26%	0.263	29%	0.292	S	S	.	.	H	α-helix	trans	-67.9	-44.2	177.9	-172.1	-116.8	0	0	0	112.2	Y259 V262 N392 N393 L394 Q398 Y399 L400	Y259-Y396 HydrophobicContact CD1-CD2 4.08Å; Y259-Y396 AromaticContact CD1-CE2 3.94Å; Y259-Y396 HydrophobicContact CD1-CE2 3.94Å; Y259-Y396 HydrophobicContact CE1-CD2 4.08Å; Y259-Y396 HydrophobicContact CE1-CE2 4.11Å; V262-Y396 HydrophobicContact CG2-CD1 3.87Å; V262-Y396 HydrophobicContact CG2-CE1 3.45Å; V262-Y396 VanDerWaalsContact CG2-CE1 3.45Å; N392-Y396 WeakPolarHBondContact O-CB 3.19Å; N392-Y396 PolarHBondContact O-N 2.74Å; N393-Y396 PolarHBondContact O-N 2.81Å; L394-Y396 VanDerWaalsContact C-N 3.27Å; L394-Y396 PolarHBondContact O-N 2.75Å; Y396-Q398 VanDerWaalsContact C-N 3.34Å; Y396-Q398 PolarHBondContact O-N 3.23Å; Y396-Y399 PolarHBondContact O-N 3.41Å; Y396-L400 HydrophobicContact CD1-CD1 3.81Å; Y396-L400 HydrophobicContact CD1-CG 4.49Å; Y396-L400 HydrophobicContact CD2-CG 4.44Å; Y396-L400 HydrophobicContact CE1-CD1 3.32Å; Y396-L400 HydrophobicContact CE1-CG 4.21Å; Y396-L400 HydrophobicContact CE2-CD1 4.07Å; Y396-L400 HydrophobicContact CE2-CD2 4.33Å; Y396-L400 HydrophobicContact CE2-CG 4.11Å; Y396-L400 HydrophobicContact CG-CD1 4.38Å; Y396-L400 VanDerWaalsContact CZ-CD1 3.45Å; Y396-L400 WeakPolarHBondContact O-CG 3.27Å; Y396-L400 PolarHBondContact O-N 3.18Å
397	M	70.6	Confident	77.7	Confident	4 Å²	4	57.7 Å²	57.7	2%	0.02	30%	0.296	C	S	.	.	H	α-helix	trans	-58.7	-44.6	172.5	-76.1	-69.3	-75.5	0	0	111.7	V262 F265 P298 N393 L394 L400 C401	V262-M397 HydrophobicContact CG1-SD 3.77Å; V262-M397 HydrophobicContact CG2-SD 4.45Å; F265-M397 HydrophobicContact CD2-CG 4.1Å; F265-M397 HydrophobicContact CD2-SD 4.09Å; F265-M397 HydrophobicContact CE2-CG 3.79Å; F265-M397 HydrophobicContact CE2-SD 4.38Å; F265-M397 HydrophobicContact CZ-CG 4.5Å; P298-M397 HydrophobicContact CG-CE 3.37Å; P298-M397 HydrophobicContact CG-SD 4.37Å; N393-M397 WeakPolarHBondContact O-CB 3.47Å; N393-M397 VanDerWaalsContact O-CG 3.26Å; N393-M397 WeakPolarHBondContact O-CG 3.4Å; N393-M397 PolarHBondContact O-N 3.48Å; L394-M397 PolarHBondContact O-N 3.43Å; M397-L400 PolarHBondContact O-N 3.46Å; M397-C401 VanDerWaalsContact O-CB 3.26Å; M397-C401 WeakPolarHBondContact O-CB 3.4Å; M397-C401 PolarHBondContact O-N 3.13Å
398	Q	77.9	Confident	78	Confident	84 Å²	84	60.9 Å²	60.9	39%	0.393	31%	0.311	S	S	.	.	H	α-helix	trans	-64.3	-40.5	175.5	-171.6	179.1	-14.4	0	0	111.3	F294 L394 K395 Y396 C402	F294-Q398 HydrophobicContact CE1-CG 4.39Å; L394-Q398 WeakPolarHBondContact O-CB 3.42Å; L394-Q398 PolarHBondContact O-N 3.31Å; K395-Q398 PolarHBondContact O-N 2.77Å; Y396-Q398 VanDerWaalsContact C-N 3.34Å; Y396-Q398 PolarHBondContact O-N 3.23Å; Q398-C402 HydrophobicContact CG-CB 4.22Å; Q398-C402 WeakPolarHBondContact O-CA 3.41Å; Q398-C402 WeakPolarHBondContact O-CB 3.43Å; Q398-C402 PolarHBondContact O-N 3.15Å
399	Y	76.1	Confident	78.4	Confident	186 Å²	186	57.9 Å²	57.9	73%	0.729	29%	0.293	S	S	*	.	H	α-helix	trans	-64.6	-43	177.6	175.9	-98.1	0	0	0	112.7	K395 Y396	K395-Y399 WeakPolarHBondContact O-CB 3.43Å; K395-Y399 PolarHBondContact O-N 3.15Å; Y396-Y399 PolarHBondContact O-N 3.41Å
400	L	73.3	Confident	79	Confident	84 Å²	84	55 Å²	55	44%	0.44	28%	0.278	S	S	.	.	H	α-helix	trans	-75.2	-40.9	-178.4	-71.7	179.3	0	0	0	113.1	V262 Y396 M397	V262-L400 HydrophobicContact CG2-CD1 3.42Å; V262-L400 VanDerWaalsContact CG2-CD1 3.42Å; Y396-L400 HydrophobicContact CD1-CD1 3.81Å; Y396-L400 HydrophobicContact CD1-CG 4.49Å; Y396-L400 HydrophobicContact CD2-CG 4.44Å; Y396-L400 HydrophobicContact CE1-CD1 3.32Å; Y396-L400 HydrophobicContact CE1-CG 4.21Å; Y396-L400 HydrophobicContact CE2-CD1 4.07Å; Y396-L400 HydrophobicContact CE2-CD2 4.33Å; Y396-L400 HydrophobicContact CE2-CG 4.11Å; Y396-L400 HydrophobicContact CG-CD1 4.38Å; Y396-L400 VanDerWaalsContact CZ-CD1 3.45Å; Y396-L400 WeakPolarHBondContact O-CG 3.27Å; Y396-L400 PolarHBondContact O-N 3.18Å; M397-L400 PolarHBondContact O-N 3.46Å
401	C	79.1	Confident	79.8	Confident	9 Å²	9	57 Å²	57	6%	0.061	29%	0.288	C	S	.	.	H	α-helix	trans	-93	-26.4	-173.2	-62.8	0	0	0	0	112.9	F294 E295 N296 V297 M397 Q403	F294-C401 CarbonylContact C-O 3.59Å; F294-C401 WeakPolarHBondContact CA-O 3.39Å; F294-C401 HydrophobicContact CB-CB 4.31Å; F294-C401 HydrophobicContact CD1-CB 4.06Å; E295-C401 PolarHBondContact N-O 2.79Å; E295-C401 WeakPolarHBondContact O-CA 3.47Å; E295-C401 WeakPolarHBondContact O-CB 3.42Å; N296-C401 PolarHBondContact O-SG 3.05Å; V297-C401 HydrophobicContact CG2-CB 4.3Å; M397-C401 VanDerWaalsContact O-CB 3.26Å; M397-C401 WeakPolarHBondContact O-CB 3.4Å; M397-C401 PolarHBondContact O-N 3.13Å; C401-Q403 PolarHBondContact O-N 2.86Å; C401-Q403 VanDerWaalsContact O-N 3.17Å
402	C	80.3	Confident	80.3	Confident	44 Å²	44	57.1 Å²	57.1	30%	0.297	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	115.3	-174.7	-171.7	0	0	0	0	110.7	F294 Q398	F294-C402 HydrophobicContact CD1-CB 3.99Å; F294-C402 HydrophobicContact CE1-CB 3.9Å; Q398-C402 HydrophobicContact CG-CB 4.22Å; Q398-C402 WeakPolarHBondContact O-CA 3.41Å; Q398-C402 WeakPolarHBondContact O-CB 3.43Å; Q398-C402 PolarHBondContact O-N 3.15Å
403	Q	79.5	Confident	81	Confident	68 Å²	68	52.8 Å²	52.8	32%	0.318	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-44.9	178.4	-177.3	169.4	43.9	0	0	111.5	L293 E295 C401 I412	L293-Q403 VanDerWaalsContact CD2-OE1 3.25Å; L293-Q403 WeakPolarHBondContact O-CB 3.35Å; L293-Q403 PolarHBondContact O-N 2.79Å; E295-Q403 HydrophobicContact CB-CB 4.46Å; E295-Q403 PolarHBondContact OE2-NE2 3.37Å; C401-Q403 PolarHBondContact O-N 2.86Å; C401-Q403 VanDerWaalsContact O-N 3.17Å; Q403-I412 HydrophobicContact CG-CD1 4.16Å
404	S	83.7	Confident	81.9	Confident	7 Å²	7	51.7 Å²	51.7	5%	0.049	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	166	-178	65.6	0	0	0	0	112.4	L293 S409 I412	L293-S404 PolarHBondContact N-O 2.83Å; L293-S404 PolarHBondContact O-N 3.22Å; S404-S409 PolarHBondContact O-OG 2.93Å; S404-S409 WeakPolarHBondContact OG-CA 3.2Å; S404-S409 PolarHBondContact OG-N 2.84Å; S404-S409 PolarHBondContact OG-OG 3.49Å; S404-I412 WeakPolarHBondContact OG-CD1 3.25Å
405	S	84.2	Confident	82.6	Confident	67 Å²	67	54.4 Å²	54.4	47%	0.469	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	156.6	173.9	55.3	0	0	0	0	112.4	L291 L407 Q408 S409	L291-S405 CarbonylContact O-C 3.36Å; L291-S405 WeakPolarHBondContact O-CA 3.41Å; S405-L407 PolarHBondContact O-N 3.39Å; S405-Q408 PolarHBondContact O-N 3.34Å; S405-S409 VanDerWaalsContact CA-OG 3.22Å; S405-S409 WeakPolarHBondContact CA-OG 3.27Å; S405-S409 PolarHBondContact N-OG 3.49Å
406	G	83.7	Confident	83.2	Confident	13 Å²	13	47.8 Å²	47.8	13%	0.134	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	-131.6	172.2	0	0	0	0	0	113.3	L291 Q408 S409 I410	L291-G406 PolarHBondContact O-N 3.49Å; G406-Q408 VanDerWaalsContact C-N 3.25Å; G406-Q408 PolarHBondContact O-N 2.95Å; G406-S409 WeakPolarHBondContact O-CB 3.34Å; G406-S409 PolarHBondContact O-N 3.17Å; G406-S409 VanDerWaalsContact O-N 3.09Å; G406-I410 PolarHBondContact O-N 3.34Å
407	L	83.7	Confident	84.1	Confident	48 Å²	48	44.6 Å²	44.6	25%	0.251	22%	0.224	S	C	.	.	H	α-helix	trans	-59.6	-32.9	-178.2	-177.9	60.8	0	0	0	113.3	S405 S409 I410 N411	S405-L407 PolarHBondContact O-N 3.39Å; L407-S409 VanDerWaalsContact C-N 3.32Å; L407-S409 PolarHBondContact O-N 2.89Å; L407-I410 PolarHBondContact O-N 2.85Å; L407-N411 PolarHBondContact O-N 2.85Å; L407-N411 PolarHBondContact O-ND2 3.1Å
408	Q	86.3	Confident	85.1	Confident	129 Å²	129	44.4 Å²	44.4	60%	0.603	22%	0.223	S	C	*	.	H	α-helix	trans	-64.7	-38.4	176.8	-66.7	-177.9	-9.6	0	0	111.5	S405 G406 I410 N411 I412	S405-Q408 PolarHBondContact O-N 3.34Å; G406-Q408 VanDerWaalsContact C-N 3.25Å; G406-Q408 PolarHBondContact O-N 2.95Å; Q408-I410 VanDerWaalsContact C-N 3.32Å; Q408-I410 PolarHBondContact O-N 3.4Å; Q408-N411 PolarHBondContact O-N 2.89Å; Q408-I412 WeakPolarHBondContact O-CG1 3.49Å; Q408-I412 PolarHBondContact O-N 2.86Å
409	S	87.1	Confident	85.7	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.4	-38.9	174.5	-55.2	0	0	0	0	112	L293 S404 S405 G406 L407 I412 L413	L293-S409 PolarHBondContact N-OG 3Å; S404-S409 PolarHBondContact O-OG 2.93Å; S404-S409 WeakPolarHBondContact OG-CA 3.2Å; S404-S409 PolarHBondContact OG-N 2.84Å; S404-S409 PolarHBondContact OG-OG 3.49Å; S405-S409 VanDerWaalsContact CA-OG 3.22Å; S405-S409 WeakPolarHBondContact CA-OG 3.27Å; S405-S409 PolarHBondContact N-OG 3.49Å; G406-S409 WeakPolarHBondContact O-CB 3.34Å; G406-S409 PolarHBondContact O-N 3.17Å; G406-S409 VanDerWaalsContact O-N 3.09Å; L407-S409 VanDerWaalsContact C-N 3.32Å; L407-S409 PolarHBondContact O-N 2.89Å; S409-I412 PolarHBondContact O-N 3.16Å; S409-L413 WeakPolarHBondContact O-CB 3.48Å; S409-L413 PolarHBondContact O-N 2.59Å
410	I	88.3	Confident	86.4	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-65.7	-45.2	176.2	-58.9	174.6	0	0	0	110.7	F109 L116 L145 L291 G406 L407 Q408 I412 L413 L414	F109-I410 HydrophobicContact CB-CG2 3.77Å; F109-I410 HydrophobicContact CD1-CD1 4.39Å; F109-I410 HydrophobicContact CD1-CG2 3.71Å; F109-I410 HydrophobicContact CD2-CG2 4.4Å; F109-I410 HydrophobicContact CE1-CG2 4.46Å; F109-I410 HydrophobicContact CG-CG2 3.67Å; L116-I410 HydrophobicContact CD1-CD1 3.95Å; L145-I410 HydrophobicContact CD1-CD1 4.2Å; L291-I410 HydrophobicContact CD2-CD1 4.01Å; L291-I410 HydrophobicContact CD2-CG1 3.38Å; G406-I410 PolarHBondContact O-N 3.34Å; L407-I410 PolarHBondContact O-N 2.85Å; Q408-I410 VanDerWaalsContact C-N 3.32Å; Q408-I410 PolarHBondContact O-N 3.4Å; I410-I412 VanDerWaalsContact C-N 3.31Å; I410-I412 PolarHBondContact O-N 3.34Å; I410-L413 WeakPolarHBondContact O-CB 3.44Å; I410-L413 PolarHBondContact O-N 2.9Å; I410-L413 VanDerWaalsContact O-N 3.16Å; I410-L414 HydrophobicContact CG2-CD1 4.03Å; I410-L414 HydrophobicContact CG2-CG 4.28Å; I410-L414 WeakPolarHBondContact O-CG 3.45Å; I410-L414 PolarHBondContact O-N 3.46Å
411	N	88.8	Confident	87.2	Confident	51 Å²	51	30.8 Å²	30.8	27%	0.273	16%	0.164	S	C	.	.	H	α-helix	trans	-60.8	-41.2	177.7	-75.2	-31.6	0	0	0	111.8	Q106 L407 Q408 L414 K415	Q106-N411 PolarHBondContact NE2-OD1 3.18Å; L407-N411 PolarHBondContact O-N 2.85Å; L407-N411 PolarHBondContact O-ND2 3.1Å; Q408-N411 PolarHBondContact O-N 2.89Å; N411-L414 PolarHBondContact O-N 3.1Å; N411-K415 WeakPolarHBondContact O-CB 3.15Å; N411-K415 PolarHBondContact O-N 2.87Å
412	I	89.2	Confident	87.8	Confident	43 Å²	43	30.4 Å²	30.4	22%	0.221	16%	0.161	C	C	.	.	H	α-helix	trans	-65.5	-42.1	174.8	-64.5	171.6	0	0	0	110.8	L293 Q403 S404 Q408 S409 I410 L414 K415 L416	L293-I412 HydrophobicContact CD2-CB 3.88Å; L293-I412 HydrophobicContact CD2-CD1 4.21Å; L293-I412 HydrophobicContact CD2-CG2 3.41Å; L293-I412 VanDerWaalsContact CD2-CG2 3.41Å; Q403-I412 HydrophobicContact CG-CD1 4.16Å; S404-I412 WeakPolarHBondContact OG-CD1 3.25Å; Q408-I412 WeakPolarHBondContact O-CG1 3.49Å; Q408-I412 PolarHBondContact O-N 2.86Å; S409-I412 PolarHBondContact O-N 3.16Å; I410-I412 VanDerWaalsContact C-N 3.31Å; I410-I412 PolarHBondContact O-N 3.34Å; I412-L414 PolarHBondContact O-N 3.05Å; I412-K415 PolarHBondContact O-N 2.71Å; I412-L416 HydrophobicContact CG2-CD1 4.39Å; I412-L416 HydrophobicContact CG2-CG 4.45Å; I412-L416 WeakPolarHBondContact O-CB 3.19Å; I412-L416 WeakPolarHBondContact O-CG 3.23Å; I412-L416 PolarHBondContact O-N 3.36Å
413	L	91.1	Very high	88.4	Confident	2 Å²	2	28.5 Å²	28.5	1%	0.01	15%	0.147	C	C	.	.	H	α-helix	trans	-59.5	-45.1	175.7	179.3	66.6	0	0	0	111.8	L149 I152 A156 F158 L278 S409 I410 L416 A417	L149-L413 HydrophobicContact CD2-CD2 3.61Å; I152-L413 HydrophobicContact CG2-CD2 4.42Å; I152-L413 HydrophobicContact CG2-CG 4.35Å; A156-L413 HydrophobicContact CB-CD1 3.7Å; F158-L413 HydrophobicContact CD2-CD1 3.71Å; F158-L413 HydrophobicContact CE2-CD1 3.37Å; F158-L413 HydrophobicContact CZ-CD1 4.21Å; L278-L413 HydrophobicContact CD2-CD1 4.37Å; L278-L413 HydrophobicContact CD2-CD2 3.97Å; S409-L413 WeakPolarHBondContact O-CB 3.48Å; S409-L413 PolarHBondContact O-N 2.59Å; I410-L413 WeakPolarHBondContact O-CB 3.44Å; I410-L413 PolarHBondContact O-N 2.9Å; I410-L413 VanDerWaalsContact O-N 3.16Å; L413-L416 WeakPolarHBondContact O-CB 3.29Å; L413-L416 PolarHBondContact O-N 3.46Å; L413-A417 WeakPolarHBondContact O-CB 3.27Å; L413-A417 PolarHBondContact O-N 3.24Å
414	L	90.7	Very high	89	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-64.5	-42.7	177.7	-71.8	172.7	0	0	0	111.6	F102 L105 Q106 F109 I152 I410 N411 I412 L416 A417 H418 L550	F102-L414 HydrophobicContact CD1-CD2 4.23Å; L105-L414 HydrophobicContact CB-CD2 4.27Å; Q106-L414 HydrophobicContact CB-CD1 4.02Å; Q106-L414 HydrophobicContact CG-CD1 4.21Å; F109-L414 HydrophobicContact CD2-CD1 4.05Å; F109-L414 HydrophobicContact CD2-CD2 4Å; F109-L414 HydrophobicContact CD2-CG 4.46Å; F109-L414 HydrophobicContact CE2-CD2 4Å; F109-L414 HydrophobicContact CG-CD1 4.49Å; I152-L414 HydrophobicContact CD1-CD2 3.88Å; I152-L414 HydrophobicContact CG2-CD2 4.31Å; I410-L414 HydrophobicContact CG2-CD1 4.03Å; I410-L414 HydrophobicContact CG2-CG 4.28Å; I410-L414 WeakPolarHBondContact O-CG 3.45Å; I410-L414 PolarHBondContact O-N 3.46Å; N411-L414 PolarHBondContact O-N 3.1Å; I412-L414 PolarHBondContact O-N 3.05Å; L414-L416 VanDerWaalsContact C-N 3.3Å; L414-L416 PolarHBondContact O-N 2.88Å; L414-A417 PolarHBondContact O-N 3.26Å; L414-H418 WeakPolarHBondContact O-CB 3.48Å; L414-H418 PolarHBondContact O-N 2.71Å; L414-L550 HydrophobicContact CB-CD1 4.23Å
415	K	90	Very high	89.4	Confident	88 Å²	88	25.4 Å²	25.4	38%	0.383	13%	0.134	S	C	.	.	H	α-helix	trans	-59.9	-42.5	174.7	-174.7	171.3	-177.2	168.2	0	111.7	N411 I412 E419 D548 L550	N411-K415 WeakPolarHBondContact O-CB 3.15Å; N411-K415 PolarHBondContact O-N 2.87Å; I412-K415 PolarHBondContact O-N 2.71Å; K415-E419 WeakPolarHBondContact O-CB 3.05Å; K415-E419 PolarHBondContact O-N 3.47Å; K415-D548 WeakPolarHBondContact CE-OD1 3.48Å; K415-D548 IonicContact NZ-OD1 3.48Å; K415-D548 PolarHBondContact NZ-OD1 2.95Å; K415-D548 IonicContact NZ-OD2 3.38Å; K415-D548 PolarHBondContact NZ-OD2 3.37Å; K415-L550 HydrophobicContact CB-CD1 4.15Å
416	L	90.4	Very high	89.8	Confident	8 Å²	8	22.2 Å²	22.2	4%	0.042	11%	0.112	C	C	.	.	H	α-helix	trans	-66.3	-40.3	175.8	-79.5	-175.3	0	0	0	113.3	A156 F158 R276 I412 L413 L414 Q420	A156-L416 HydrophobicContact CB-CB 4.04Å; F158-L416 HydrophobicContact CE2-CD1 4.02Å; F158-L416 HydrophobicContact CZ-CD1 4.11Å; R276-L416 VanDerWaalsContact NH1-CG 3.28Å; I412-L416 HydrophobicContact CG2-CD1 4.39Å; I412-L416 HydrophobicContact CG2-CG 4.45Å; I412-L416 WeakPolarHBondContact O-CB 3.19Å; I412-L416 WeakPolarHBondContact O-CG 3.23Å; I412-L416 PolarHBondContact O-N 3.36Å; L413-L416 WeakPolarHBondContact O-CB 3.29Å; L413-L416 PolarHBondContact O-N 3.46Å; L414-L416 VanDerWaalsContact C-N 3.3Å; L414-L416 PolarHBondContact O-N 2.88Å; L416-Q420 VanDerWaalsContact O-CB 3.3Å; L416-Q420 WeakPolarHBondContact O-CB 3.17Å; L416-Q420 PolarHBondContact O-N 2.81Å
417	A	91.4	Very high	90.2	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-64.2	-46.8	176	0	0	0	0	0	110.8	F102 I152 I155 A156 L413 L414 E419 Q420 E421	F102-A417 HydrophobicContact CE1-CB 3.58Å; F102-A417 HydrophobicContact CZ-CB 3.98Å; I152-A417 HydrophobicContact CG2-CB 3.95Å; I155-A417 HydrophobicContact CB-CB 4.08Å; I155-A417 HydrophobicContact CG2-CB 4.03Å; A156-A417 HydrophobicContact CB-CB 3.91Å; L413-A417 WeakPolarHBondContact O-CB 3.27Å; L413-A417 PolarHBondContact O-N 3.24Å; L414-A417 PolarHBondContact O-N 3.26Å; A417-E419 PolarHBondContact O-N 3.3Å; A417-Q420 PolarHBondContact O-N 3.44Å; A417-E421 VanDerWaalsContact O-CB 3.28Å; A417-E421 WeakPolarHBondContact O-CB 3.45Å; A417-E421 PolarHBondContact O-N 3.41Å
418	H	91.6	Very high	90.6	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-56.1	-50.3	174.8	173.5	-96.5	0	0	0	111.6	D95 F102 L414 Q420 E421 F422 P549	D95-H418 IonicContact OD1-CE1 3.5Å; D95-H418 PolarHBondContact OD1-CE1 3.36Å; D95-H418 VanDerWaalsContact OD1-CE1 3.29Å; D95-H418 IonicContact OD1-NE2 2.79Å; F102-H418 HydrophobicContact CD1-CB 4.09Å; F102-H418 HydrophobicContact CD2-CB 3.86Å; F102-H418 AromaticContact CD2-CD2 3.59Å; F102-H418 HydrophobicContact CE1-CB 4.25Å; F102-H418 HydrophobicContact CE2-CB 4.01Å; F102-H418 HydrophobicContact CG-CB 3.89Å; F102-H418 HydrophobicContact CZ-CB 4.2Å; L414-H418 WeakPolarHBondContact O-CB 3.48Å; L414-H418 PolarHBondContact O-N 2.71Å; H418-Q420 VanDerWaalsContact C-N 3.33Å; H418-Q420 PolarHBondContact O-N 3.2Å; H418-E421 PolarHBondContact O-N 3.21Å; H418-F422 WeakPolarHBondContact O-CB 3.18Å; H418-F422 PolarHBondContact O-N 2.66Å; H418-P549 VanDerWaalsContact CE1-CG 3.48Å; H418-P549 WeakPolarHBondContact CE1-CG 3.06Å; H418-P549 WeakPolarHBondContact ND1-CG 3.28Å
419	E	90.6	Very high	90.9	Very high	46 Å²	46	13.1 Å²	13.1	22%	0.215	7%	0.065	C	C	.	.	H	α-helix	trans	-61.4	-42.9	179.9	-162.4	-161.6	140.8	0	0	112	R65 K415 A417 K423	R65-E419 HydrophobicContact CG-CG 3.52Å; K415-E419 WeakPolarHBondContact O-CB 3.05Å; K415-E419 PolarHBondContact O-N 3.47Å; A417-E419 PolarHBondContact O-N 3.3Å; E419-K423 HydrophobicContact CG-CD 4.4Å; E419-K423 WeakPolarHBondContact O-CB 3.06Å; E419-K423 WeakPolarHBondContact O-CE 3.46Å; E419-K423 VanDerWaalsContact O-CG 3.23Å; E419-K423 WeakPolarHBondContact O-CG 3.47Å; E419-K423 PolarHBondContact O-N 3.31Å; E419-K423 WeakPolarHBondContact OE1-CE 3.38Å; E419-K423 IonicContact OE1-NZ 3.93Å; E419-K423 PolarHBondContact OE1-NZ 2.82Å
420	Q	91.1	Very high	91	Very high	10 Å²	10	13.1 Å²	13.1	5%	0.047	7%	0.065	C	C	.	.	H	α-helix	trans	-70.6	-39.3	-178.5	-176.9	55	25.3	0	0	111.9	I155 L416 A417 H418 K423 A424	I155-Q420 WeakPolarHBondContact O-CB 3.28Å; I155-Q420 WeakPolarHBondContact O-CG 3.4Å; L416-Q420 VanDerWaalsContact O-CB 3.3Å; L416-Q420 WeakPolarHBondContact O-CB 3.17Å; L416-Q420 PolarHBondContact O-N 2.81Å; A417-Q420 PolarHBondContact O-N 3.44Å; H418-Q420 VanDerWaalsContact C-N 3.33Å; H418-Q420 PolarHBondContact O-N 3.2Å; Q420-K423 PolarHBondContact O-N 3.22Å; Q420-A424 VanDerWaalsContact O-CB 3.26Å; Q420-A424 WeakPolarHBondContact O-CB 3.22Å; Q420-A424 PolarHBondContact O-N 2.98Å
421	E	90.9	Very high	91.1	Very high	12 Å²	12	13.2 Å²	13.2	6%	0.056	7%	0.065	C	C	.	.	H	α-helix	trans	-65.6	-42.9	176.6	-170.1	162.8	156.1	0	0	111.5	L98 F102 I155 A417 H418 A424 A425 R500 I504	L98-E421 HydrophobicContact CD1-CB 4.48Å; L98-E421 HydrophobicContact CD1-CG 4.3Å; L98-E421 HydrophobicContact CD2-CG 4.1Å; F102-E421 HydrophobicContact CE2-CB 4.44Å; F102-E421 HydrophobicContact CZ-CB 4.48Å; I155-E421 HydrophobicContact CG2-CB 4.2Å; I155-E421 VanDerWaalsContact CG2-OE2 3.3Å; I155-E421 WeakPolarHBondContact CG2-OE2 3.46Å; A417-E421 VanDerWaalsContact O-CB 3.28Å; A417-E421 WeakPolarHBondContact O-CB 3.45Å; A417-E421 PolarHBondContact O-N 3.41Å; H418-E421 PolarHBondContact O-N 3.21Å; E421-A424 PolarHBondContact O-N 3.34Å; E421-A425 VanDerWaalsContact O-CB 3.23Å; E421-A425 WeakPolarHBondContact O-CB 3.17Å; E421-A425 PolarHBondContact O-N 2.91Å; E421-R500 IonicContact OE1-NH2 3.05Å; E421-R500 IonicContact OE2-CZ 3.58Å; E421-R500 IonicContact OE2-NE 3.54Å; E421-R500 IonicContact OE2-NH2 2.81Å; E421-R500 PolarHBondContact OE2-NH2 3.47Å; E421-I504 VanDerWaalsContact CD-CD1 3.5Å; E421-I504 HydrophobicContact CG-CD1 3.45Å; E421-I504 VanDerWaalsContact CG-CD1 3.45Å; E421-I504 WeakPolarHBondContact OE1-CD1 3.32Å
422	F	92.4	Very high	91.1	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-57.4	-53.2	172.2	173.3	-95	0	0	0	111.6	R65 V69 A91 L94 D95 L98 H418 A424 A425 L426 L544	R65-F422 HydrophobicContact CB-CD1 4.48Å; R65-F422 HydrophobicContact CB-CE1 4.25Å; R65-F422 HydrophobicContact CG-CD1 3.91Å; R65-F422 HydrophobicContact CG-CE1 4.18Å; V69-F422 HydrophobicContact CG2-CE1 4.48Å; A91-F422 WeakPolarHBondContact O-CE2 3.21Å; L94-F422 HydrophobicContact CD2-CB 4.5Å; L94-F422 HydrophobicContact CD2-CD2 3.38Å; L94-F422 HydrophobicContact CD2-CE2 3.87Å; L94-F422 HydrophobicContact CD2-CG 4.26Å; D95-F422 HydrophobicContact CB-CD2 3.96Å; D95-F422 HydrophobicContact CB-CE2 3.76Å; L98-F422 HydrophobicContact CD1-CB 3.84Å; L98-F422 HydrophobicContact CD1-CD2 4.46Å; H418-F422 WeakPolarHBondContact O-CB 3.18Å; H418-F422 PolarHBondContact O-N 2.66Å; F422-A424 PolarHBondContact O-N 2.85Å; F422-A425 PolarHBondContact O-N 3.25Å; F422-L426 HydrophobicContact CE1-CD2 4.03Å; F422-L426 HydrophobicContact CZ-CD2 3.84Å; F422-L426 WeakPolarHBondContact O-CB 3.3Å; F422-L426 PolarHBondContact O-N 3.22Å; F422-L544 HydrophobicContact CE2-CD2 4.18Å; F422-L544 HydrophobicContact CZ-CD2 3.92Å
423	K	92.3	Very high	90.9	Very high	4 Å²	4	10.3 Å²	10.3	2%	0.017	5%	0.05	C	C	.	.	H	α-helix	trans	-60.6	-44.5	-178.6	-74.4	-175.5	-57.6	-165.7	0	111.8	I61 L63 R65 L68 E419 Q420 L427	I61-K423 HydrophobicContact CB-CD 4.47Å; I61-K423 HydrophobicContact CD1-CB 3.63Å; I61-K423 HydrophobicContact CG2-CD 4.48Å; I61-K423 PolarHBondContact O-NZ 3.37Å; L63-K423 WeakPolarHBondContact O-CD 3.48Å; L63-K423 PolarHBondContact O-NZ 3.21Å; R65-K423 HydrophobicContact CG-CG 4.29Å; L68-K423 HydrophobicContact CD1-CB 3.87Å; L68-K423 HydrophobicContact CD1-CD 4.38Å; L68-K423 HydrophobicContact CD1-CG 4.02Å; E419-K423 HydrophobicContact CG-CD 4.4Å; E419-K423 WeakPolarHBondContact O-CB 3.06Å; E419-K423 WeakPolarHBondContact O-CE 3.46Å; E419-K423 VanDerWaalsContact O-CG 3.23Å; E419-K423 WeakPolarHBondContact O-CG 3.47Å; E419-K423 PolarHBondContact O-N 3.31Å; E419-K423 WeakPolarHBondContact OE1-CE 3.38Å; E419-K423 IonicContact OE1-NZ 3.93Å; E419-K423 PolarHBondContact OE1-NZ 2.82Å; Q420-K423 PolarHBondContact O-N 3.22Å; K423-L427 VanDerWaalsContact O-CB 3.23Å; K423-L427 WeakPolarHBondContact O-CB 3.39Å; K423-L427 PolarHBondContact O-N 3.02Å
424	A	92	Very high	90.5	Very high	10 Å²	10	13.2 Å²	13.2	8%	0.083	6%	0.061	C	C	.	.	H	α-helix	trans	-67.1	-43.4	-179.9	0	0	0	0	0	112	I61 Q420 E421 F422 T428 F496 S501	I61-A424 HydrophobicContact CD1-CB 4.39Å; Q420-A424 VanDerWaalsContact O-CB 3.26Å; Q420-A424 WeakPolarHBondContact O-CB 3.22Å; Q420-A424 PolarHBondContact O-N 2.98Å; E421-A424 PolarHBondContact O-N 3.34Å; F422-A424 PolarHBondContact O-N 2.85Å; A424-T428 VanDerWaalsContact O-CB 3.25Å; A424-T428 WeakPolarHBondContact O-CB 3.45Å; A424-T428 PolarHBondContact O-N 3.44Å; A424-T428 PolarHBondContact O-OG1 3.1Å; A424-F496 HydrophobicContact CB-CE2 3.73Å; A424-F496 HydrophobicContact CB-CZ 3.9Å; A424-S501 VanDerWaalsContact C-OG 3.25Å; A424-S501 VanDerWaalsContact CB-OG 3.31Å; A424-S501 WeakPolarHBondContact CB-OG 3.42Å; A424-S501 PolarHBondContact O-OG 3.01Å
425	A	92.3	Very high	89.6	Confident	0 Å²	0	13.6 Å²	13.6	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-64.9	-45.2	177.4	0	0	0	0	0	112.1	L94 E421 F422 T428 Y429 S501 L505	L94-A425 HydrophobicContact CD1-CB 3.96Å; L94-A425 HydrophobicContact CD2-CB 4.25Å; E421-A425 VanDerWaalsContact O-CB 3.23Å; E421-A425 WeakPolarHBondContact O-CB 3.17Å; E421-A425 PolarHBondContact O-N 2.91Å; F422-A425 PolarHBondContact O-N 3.25Å; A425-T428 PolarHBondContact O-N 3.1Å; A425-Y429 WeakPolarHBondContact O-CB 3.41Å; A425-Y429 PolarHBondContact O-N 3.15Å; A425-S501 PolarHBondContact N-OG 3.01Å; A425-L505 HydrophobicContact CB-CD2 4.43Å
426	L	92.4	Very high	88.6	Confident	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-65.6	-44	179.4	-172.5	64.7	0	0	0	112.2	L68 V69 L72 F87 A91 F422 Y429 A430	L68-L426 HydrophobicContact CD2-CB 4.38Å; L68-L426 HydrophobicContact CD2-CD2 3.75Å; L68-L426 HydrophobicContact CD2-CG 4.26Å; V69-L426 HydrophobicContact CG2-CD2 3.7Å; L72-L426 HydrophobicContact CD1-CD2 4.35Å; L72-L426 HydrophobicContact CD1-CG 4.13Å; F87-L426 HydrophobicContact CE1-CD1 4.05Å; F87-L426 HydrophobicContact CE1-CG 4.49Å; F87-L426 HydrophobicContact CE2-CD1 4.04Å; F87-L426 HydrophobicContact CZ-CD1 3.5Å; F87-L426 HydrophobicContact CZ-CG 3.96Å; A91-L426 HydrophobicContact CB-CD1 3.99Å; A91-L426 HydrophobicContact CB-CD2 4.23Å; F422-L426 HydrophobicContact CE1-CD2 4.03Å; F422-L426 HydrophobicContact CZ-CD2 3.84Å; F422-L426 WeakPolarHBondContact O-CB 3.3Å; F422-L426 PolarHBondContact O-N 3.22Å; L426-Y429 PolarHBondContact O-N 3.18Å; L426-A430 WeakPolarHBondContact O-CB 3.46Å; L426-A430 PolarHBondContact O-N 2.82Å
427	L	92.3	Very high	87.4	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-61.5	-45.4	175.6	180	63.3	0	0	0	111.3	I61 L72 K423 Y429 A430 L431 A451 W454 I455 F496	I61-L427 HydrophobicContact CD1-CD2 4.18Å; L72-L427 HydrophobicContact CD2-CD1 4.05Å; K423-L427 VanDerWaalsContact O-CB 3.23Å; K423-L427 WeakPolarHBondContact O-CB 3.39Å; K423-L427 PolarHBondContact O-N 3.02Å; L427-Y429 VanDerWaalsContact C-N 3.34Å; L427-Y429 PolarHBondContact O-N 2.94Å; L427-A430 PolarHBondContact O-N 2.99Å; L427-L431 HydrophobicContact CD1-CD1 4.03Å; L427-L431 HydrophobicContact CD1-CG 4.17Å; L427-L431 HydrophobicContact CG-CD1 3.96Å; L427-L431 HydrophobicContact CG-CG 4.45Å; L427-L431 VanDerWaalsContact O-CG 3.29Å; L427-L431 WeakPolarHBondContact O-CG 3.38Å; L427-L431 PolarHBondContact O-N 3.26Å; L427-A451 HydrophobicContact CD2-CB 3.96Å; L427-W454 HydrophobicContact CD1-CD2 3.93Å; L427-W454 HydrophobicContact CD1-CE3 3.52Å; L427-W454 HydrophobicContact CD1-CH2 4.4Å; L427-W454 HydrophobicContact CD1-CZ3 3.79Å; L427-W454 HydrophobicContact CD2-CE3 4.45Å; L427-I455 HydrophobicContact CD2-CD1 3.65Å; L427-I455 HydrophobicContact CD2-CG1 3.96Å; L427-F496 HydrophobicContact CD2-CE2 4.27Å
428	T	91.8	Very high	86.1	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-58.6	-46.7	177	-63.4	0	0	0	0	111.3	A424 A425 L431 L432 L447 F496 S501 L502 L505	A424-T428 VanDerWaalsContact O-CB 3.25Å; A424-T428 WeakPolarHBondContact O-CB 3.45Å; A424-T428 PolarHBondContact O-N 3.44Å; A424-T428 PolarHBondContact O-OG1 3.1Å; A425-T428 PolarHBondContact O-N 3.1Å; T428-L431 PolarHBondContact O-N 2.97Å; T428-L432 HydrophobicContact CG2-CD1 3.82Å; T428-L432 HydrophobicContact CG2-CG 4.45Å; T428-L432 WeakPolarHBondContact O-CB 3.31Å; T428-L432 VanDerWaalsContact O-CG 3.26Å; T428-L432 WeakPolarHBondContact O-CG 3.39Å; T428-L432 PolarHBondContact O-N 2.88Å; T428-L447 HydrophobicContact CG2-CD2 3.57Å; T428-F496 WeakPolarHBondContact OG1-CZ 3.32Å; T428-S501 WeakPolarHBondContact OG1-CB 3.47Å; T428-L502 HydrophobicContact CG2-CD2 3.99Å; T428-L502 HydrophobicContact CG2-CG 4.19Å; T428-L505 HydrophobicContact CG2-CD1 3.79Å
429	Y	92	Very high	85	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-60.9	-47.6	177.7	-179	-112.3	0	0	0	111.5	F87 I90 A425 L426 L427 L431 L432 L433 L510 V511 A520 V521 P523	F87-Y429 HydrophobicContact CD2-CD1 4.21Å; F87-Y429 HydrophobicContact CD2-CE1 4.07Å; F87-Y429 AromaticContact CE2-CD1 3.85Å; F87-Y429 HydrophobicContact CE2-CD1 3.85Å; F87-Y429 HydrophobicContact CE2-CE1 4.18Å; I90-Y429 HydrophobicContact CD1-CE1 3.91Å; I90-Y429 WeakPolarHBondContact CD1-OH 3.28Å; I90-Y429 HydrophobicContact CG2-CD1 4.31Å; I90-Y429 HydrophobicContact CG2-CE1 4.01Å; A425-Y429 WeakPolarHBondContact O-CB 3.41Å; A425-Y429 PolarHBondContact O-N 3.15Å; L426-Y429 PolarHBondContact O-N 3.18Å; L427-Y429 VanDerWaalsContact C-N 3.34Å; L427-Y429 PolarHBondContact O-N 2.94Å; Y429-L431 VanDerWaalsContact C-N 3.33Å; Y429-L431 PolarHBondContact O-N 3.41Å; Y429-L432 PolarHBondContact O-N 2.99Å; Y429-L432 VanDerWaalsContact O-N 3.16Å; Y429-L433 HydrophobicContact CD1-CD1 4.36Å; Y429-L433 HydrophobicContact CE1-CD1 3.94Å; Y429-L433 HydrophobicContact CE1-CD2 4.35Å; Y429-L433 HydrophobicContact CE1-CG 4.25Å; Y429-L433 HydrophobicContact CE2-CD2 4.28Å; Y429-L433 WeakPolarHBondContact O-CG 3.37Å; Y429-L433 PolarHBondContact O-N 3.17Å; Y429-L510 HydrophobicContact CD2-CB 4.28Å; Y429-L510 HydrophobicContact CE2-CB 4.16Å; Y429-V511 HydrophobicContact CD2-CG2 4.49Å; Y429-A520 HydrophobicContact CD2-CB 4.18Å; Y429-A520 HydrophobicContact CE2-CB 3.94Å; Y429-V521 PolarHBondContact OH-O 3.24Å; Y429-P523 WeakPolarHBondContact OH-CA 3.37Å
430	A	90.2	Very high	84.3	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61.6	-37.9	179.3	0	0	0	0	0	113.3	L72 F87 L426 L427	L72-A430 HydrophobicContact CD1-CB 4.02Å; L72-A430 HydrophobicContact CD2-CB 3.78Å; L72-A430 HydrophobicContact CG-CB 4.45Å; F87-A430 HydrophobicContact CE2-CB 3.99Å; F87-A430 HydrophobicContact CZ-CB 4.02Å; L426-A430 WeakPolarHBondContact O-CB 3.46Å; L426-A430 PolarHBondContact O-N 2.82Å; L427-A430 PolarHBondContact O-N 2.99Å
431	L	89.5	Confident	83.6	Confident	2 Å²	2	32.8 Å²	32.8	1%	0.01	19%	0.189	C	C	.	.	H	α-helix	trans	-73.7	-28	177.1	-66.7	174.6	0	0	0	112.9	T78 L427 T428 Y429 R434 L447 R450 A451 W454	T78-L431 HydrophobicContact CG2-CD2 4.12Å; L427-L431 HydrophobicContact CD1-CD1 4.03Å; L427-L431 HydrophobicContact CD1-CG 4.17Å; L427-L431 HydrophobicContact CG-CD1 3.96Å; L427-L431 HydrophobicContact CG-CG 4.45Å; L427-L431 VanDerWaalsContact O-CG 3.29Å; L427-L431 WeakPolarHBondContact O-CG 3.38Å; L427-L431 PolarHBondContact O-N 3.26Å; T428-L431 PolarHBondContact O-N 2.97Å; Y429-L431 VanDerWaalsContact C-N 3.33Å; Y429-L431 PolarHBondContact O-N 3.41Å; L431-R434 CarbonylContact O-C 3.52Å; L431-L447 HydrophobicContact CB-CD1 3.72Å; L431-L447 HydrophobicContact CD1-CD1 4.39Å; L431-R450 HydrophobicContact CD1-CG 4.49Å; L431-R450 HydrophobicContact CD2-CG 4.18Å; L431-A451 HydrophobicContact CD1-CB 3.69Å; L431-W454 HydrophobicContact CD2-CG 4.49Å
432	L	88	Confident	83.1	Confident	7 Å²	7	32.9 Å²	32.9	4%	0.037	19%	0.19	C	C	.	.	H	α-helix	trans	-79.1	-25	175.6	-72.8	169.8	0	0	0	113.6	T428 Y429 R434 L447 L502 V511 P518 A520	T428-L432 HydrophobicContact CG2-CD1 3.82Å; T428-L432 HydrophobicContact CG2-CG 4.45Å; T428-L432 WeakPolarHBondContact O-CB 3.31Å; T428-L432 VanDerWaalsContact O-CG 3.26Å; T428-L432 WeakPolarHBondContact O-CG 3.39Å; T428-L432 PolarHBondContact O-N 2.88Å; Y429-L432 PolarHBondContact O-N 2.99Å; Y429-L432 VanDerWaalsContact O-N 3.16Å; L432-R434 PolarHBondContact O-N 2.93Å; L432-L447 HydrophobicContact CD1-CD2 4.38Å; L432-L447 HydrophobicContact CD2-CD1 4.16Å; L432-L447 HydrophobicContact CD2-CD2 4.13Å; L432-L447 HydrophobicContact CG-CD1 4.19Å; L432-L447 HydrophobicContact CG-CD2 4.18Å; L432-L502 HydrophobicContact CD1-CD2 3.52Å; L432-V511 HydrophobicContact CD1-CG1 4.39Å; L432-V511 HydrophobicContact CD1-CG2 3.82Å; L432-P518 HydrophobicContact CD1-CB 4.45Å; L432-P518 HydrophobicContact CD2-CB 4.29Å; L432-P518 HydrophobicContact CD2-CG 3.95Å; L432-A520 HydrophobicContact CB-CB 3.73Å
433	L	86.6	Confident	82.7	Confident	27 Å²	27	35.4 Å²	35.4	14%	0.141	21%	0.205	C	C	.	.	H	α-helix	trans	-57.2	-34.2	173.8	-75.7	176.4	0	0	0	111.4	F87 Y429 A520	F87-L433 HydrophobicContact CD2-CD1 4.11Å; F87-L433 HydrophobicContact CE2-CD1 4.34Å; Y429-L433 HydrophobicContact CD1-CD1 4.36Å; Y429-L433 HydrophobicContact CE1-CD1 3.94Å; Y429-L433 HydrophobicContact CE1-CD2 4.35Å; Y429-L433 HydrophobicContact CE1-CG 4.25Å; Y429-L433 HydrophobicContact CE2-CD2 4.28Å; Y429-L433 WeakPolarHBondContact O-CG 3.37Å; Y429-L433 PolarHBondContact O-N 3.17Å; L433-A520 HydrophobicContact CD2-CB 3.87Å; L433-A520 HydrophobicContact CG-CB 4.3Å
434	R	82.7	Confident	82.4	Confident	63 Å²	63	36.3 Å²	36.3	24%	0.238	21%	0.211	C	C	.	.	S	Bend	trans	-138.5	88.8	175.3	-67.6	-164.2	-124.3	143.5	10.6	111.5	S76 R77 T78 V79 L80 L431 L432 R450	S76-R434 VanDerWaalsContact O-CZ 3.32Å; S76-R434 PolarHBondContact O-NH1 3.22Å; S76-R434 PolarHBondContact O-NH2 2.95Å; R77-R434 VanDerWaalsContact C-NH1 3.3Å; R77-R434 PolarHBondContact O-NH1 3.37Å; T78-R434 PolarHBondContact O-NE 3.49Å; T78-R434 PolarHBondContact O-NH2 3.37Å; V79-R434 PolarHBondContact O-NH2 3.37Å; L80-R434 VanDerWaalsContact CA-NH2 3.27Å; L431-R434 CarbonylContact O-C 3.52Å; L432-R434 PolarHBondContact O-N 2.93Å; R434-R450 PolarHBondContact O-NH2 2.9Å
435	P	71.3	Confident	82.1	Confident	8 Å²	8	40.2 Å²	40.2	5%	0.052	23%	0.234	C	C	.	.			trans	-69.8	-44.6	-172.5	25.7	-32.4	0	0	0	112.6	T440 L442 R450	P435-T440 WeakPolarHBondContact CB-O 3.42Å; P435-L442 VanDerWaalsContact CA-CD1 3.49Å; P435-L442 HydrophobicContact CB-CB 4.42Å; P435-L442 HydrophobicContact CB-CD1 3.56Å; P435-L442 HydrophobicContact CB-CG 3.65Å; P435-L442 WeakPolarHBondContact O-CD1 3.25Å; P435-R450 PolarHBondContact O-NH1 2.78Å
436	T	67.9	Low	81.8	Confident	41 Å²	41	44.9 Å²	44.9	25%	0.252	26%	0.256	S	S	.	.			trans	-153.7	165.5	178.5	57.2	0	0	0	0	110.5	S438 N439 T440 L442	T436-S438 PolarHBondContact O-N 3.5Å; T436-S438 PolarHBondContact OG1-N 3.39Å; T436-S438 PolarHBondContact OG1-OG 3.42Å; T436-N439 PolarHBondContact O-N 3.28Å; T436-N439 PolarHBondContact OG1-N 2.95Å; T436-N439 VanDerWaalsContact OG1-N 3.13Å; T436-T440 PolarHBondContact OG1-N 3.1Å; T436-T440 PolarHBondContact OG1-OG1 3.03Å; T436-L442 HydrophobicContact CG2-CD2 4.41Å
437	D	66.5	Low	81.5	Confident	185 Å²	185	44.9 Å²	44.9	99%	0.989	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-26.5	171.1	-59.9	-36.3	0	0	0	111.9
438	S	63.4	Low	81.2	Confident	84 Å²	84	45.1 Å²	45.1	59%	0.587	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	2.7	175.8	56.4	0	0	0	0	114.7	T436 T440	T436-S438 PolarHBondContact O-N 3.5Å; T436-S438 PolarHBondContact OG1-N 3.39Å; T436-S438 PolarHBondContact OG1-OG 3.42Å; S438-T440 PolarHBondContact O-N 3.32Å; S438-T440 VanDerWaalsContact O-N 3.12Å; S438-T440 PolarHBondContact OG-OG1 3.02Å
439	N	68.9	Low	80.8	Confident	126 Å²	126	48.6 Å²	48.6	67%	0.674	27%	0.273	S	S	*	.			trans	52.6	27.4	-177	-151.8	23.4	0	0	0	115.1	T436	T436-N439 PolarHBondContact O-N 3.28Å; T436-N439 PolarHBondContact OG1-N 2.95Å; T436-N439 VanDerWaalsContact OG1-N 3.13Å
440	T	75.1	Confident	80.5	Confident	75 Å²	75	52.5 Å²	52.5	46%	0.46	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-76.5	134.1	176.6	51.8	0	0	0	0	110.2	P435 T436 S438 L442	P435-T440 WeakPolarHBondContact CB-O 3.42Å; T436-T440 PolarHBondContact OG1-N 3.1Å; T436-T440 PolarHBondContact OG1-OG1 3.03Å; S438-T440 PolarHBondContact O-N 3.32Å; S438-T440 VanDerWaalsContact O-N 3.12Å; S438-T440 PolarHBondContact OG-OG1 3.02Å; T440-L442 PolarHBondContact O-N 3.32Å
441	A	77.1	Confident	80.3	Confident	45 Å²	45	52.5 Å²	52.5	37%	0.372	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-59.3	133.1	178.4	0	0	0	0	0	111.7
442	L	79.5	Confident	80.1	Confident	14 Å²	14	53.5 Å²	53.5	7%	0.073	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-86.6	133.4	178.9	-76	164	0	0	0	110.6	P435 T436 T440 Q446 L447 P518	P435-L442 VanDerWaalsContact CA-CD1 3.49Å; P435-L442 HydrophobicContact CB-CB 4.42Å; P435-L442 HydrophobicContact CB-CD1 3.56Å; P435-L442 HydrophobicContact CB-CG 3.65Å; P435-L442 WeakPolarHBondContact O-CD1 3.25Å; T436-L442 HydrophobicContact CG2-CD2 4.41Å; T440-L442 PolarHBondContact O-N 3.32Å; L442-Q446 HydrophobicContact CD2-CB 3.87Å; L442-L447 HydrophobicContact CD1-CD1 4.26Å; L442-P518 WeakPolarHBondContact O-CD 3.11Å
443	T	85.6	Confident	79.9	Confident	52 Å²	52	55.4 Å²	55.4	32%	0.319	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-67.5	154.2	166.5	60.9	0	0	0	0	110.6	V445 Q446 L447	T443-V445 PolarHBondContact O-N 2.7Å; T443-Q446 VanDerWaalsContact N-OE1 3.08Å; T443-Q446 PolarHBondContact O-N 2.75Å; T443-Q446 VanDerWaalsContact O-N 3.14Å; T443-Q446 WeakPolarHBondContact OG1-CB 3.14Å; T443-Q446 WeakPolarHBondContact OG1-CG 3.24Å; T443-Q446 PolarHBondContact OG1-N 2.88Å; T443-Q446 PolarHBondContact OG1-OE1 2.82Å; T443-L447 WeakPolarHBondContact O-CB 3.31Å; T443-L447 PolarHBondContact O-N 2.85Å
444	P	84.5	Confident	79.9	Confident	23 Å²	23	55.1 Å²	55.1	15%	0.149	30%	0.304	C	S	.	.	H	α-helix	trans	-58	-31.6	179.4	21.4	-33.7	0	0	0	113.5	G448 N499 L502	P444-G448 PolarHBondContact O-N 3.35Å; P444-N499 VanDerWaalsContact CB-OD1 3.31Å; P444-N499 WeakPolarHBondContact CB-OD1 3.29Å; P444-L502 HydrophobicContact CB-CD1 4.01Å
445	V	85.9	Confident	80	Confident	93 Å²	93	52.1 Å²	52.1	56%	0.564	29%	0.293	S	S	*	.	H	α-helix	trans	-70.4	-45.6	176.9	178.1	0	0	0	0	111.1	T443 L447 G448 F449	T443-V445 PolarHBondContact O-N 2.7Å; V445-L447 VanDerWaalsContact C-N 3.29Å; V445-L447 PolarHBondContact O-N 3.36Å; V445-G448 PolarHBondContact O-N 2.69Å; V445-G448 VanDerWaalsContact O-N 3.13Å; V445-F449 HydrophobicContact CG1-CD2 4Å; V445-F449 HydrophobicContact CG1-CE2 3.46Å; V445-F449 VanDerWaalsContact CG1-CE2 3.46Å; V445-F449 HydrophobicContact CG1-CZ 4.26Å; V445-F449 VanDerWaalsContact O-CD2 3.25Å; V445-F449 WeakPolarHBondContact O-CD2 3.27Å; V445-F449 PolarHBondContact O-N 3.29Å; V445-F449 VanDerWaalsContact O-N 3.1Å
446	Q	86.6	Confident	80.4	Confident	98 Å²	98	53.5 Å²	53.5	46%	0.458	30%	0.304	S	S	.	.	H	α-helix	trans	-63.6	-36.1	175.1	-72.2	166.1	-26.9	0	0	112.2	L442 T443 G448 F449 R450	L442-Q446 HydrophobicContact CD2-CB 3.87Å; T443-Q446 VanDerWaalsContact N-OE1 3.08Å; T443-Q446 PolarHBondContact O-N 2.75Å; T443-Q446 VanDerWaalsContact O-N 3.14Å; T443-Q446 WeakPolarHBondContact OG1-CB 3.14Å; T443-Q446 WeakPolarHBondContact OG1-CG 3.24Å; T443-Q446 PolarHBondContact OG1-N 2.88Å; T443-Q446 PolarHBondContact OG1-OE1 2.82Å; Q446-G448 VanDerWaalsContact C-N 3.3Å; Q446-F449 PolarHBondContact O-N 3.07Å; Q446-R450 WeakPolarHBondContact O-CB 3.24Å; Q446-R450 PolarHBondContact O-N 3.36Å
447	L	86.2	Confident	81	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-62.8	-39.2	173.7	-176.7	67.8	0	0	0	111.4	T428 L431 L432 L442 T443 V445 R450 A451 A498 L502	T428-L447 HydrophobicContact CG2-CD2 3.57Å; L431-L447 HydrophobicContact CB-CD1 3.72Å; L431-L447 HydrophobicContact CD1-CD1 4.39Å; L432-L447 HydrophobicContact CD1-CD2 4.38Å; L432-L447 HydrophobicContact CD2-CD1 4.16Å; L432-L447 HydrophobicContact CD2-CD2 4.13Å; L432-L447 HydrophobicContact CG-CD1 4.19Å; L432-L447 HydrophobicContact CG-CD2 4.18Å; L442-L447 HydrophobicContact CD1-CD1 4.26Å; T443-L447 WeakPolarHBondContact O-CB 3.31Å; T443-L447 PolarHBondContact O-N 2.85Å; V445-L447 VanDerWaalsContact C-N 3.29Å; V445-L447 PolarHBondContact O-N 3.36Å; L447-R450 PolarHBondContact O-N 2.7Å; L447-A451 WeakPolarHBondContact O-CB 3.5Å; L447-A451 PolarHBondContact O-N 3.5Å; L447-A498 HydrophobicContact CB-CB 4.22Å; L447-A498 HydrophobicContact CD2-CB 3.56Å; L447-A498 HydrophobicContact CG-CB 3.99Å; L447-L502 HydrophobicContact CD2-CD1 4.35Å; L447-L502 HydrophobicContact CD2-CD2 4.33Å; L447-L502 HydrophobicContact CD2-CG 4.4Å
448	G	86.2	Confident	81.6	Confident	4 Å²	4	51.2 Å²	51.2	4%	0.041	28%	0.283	C	S	.	.	H	α-helix	trans	-57.8	-54.4	172.1	0	0	0	0	0	112.7	P444 V445 Q446 R450 A451 E452	P444-G448 PolarHBondContact O-N 3.35Å; V445-G448 PolarHBondContact O-N 2.69Å; V445-G448 VanDerWaalsContact O-N 3.13Å; Q446-G448 VanDerWaalsContact C-N 3.3Å; G448-R450 VanDerWaalsContact C-N 3.3Å; G448-R450 PolarHBondContact O-N 3.12Å; G448-A451 WeakPolarHBondContact O-CB 3.46Å; G448-A451 PolarHBondContact O-N 2.79Å; G448-A451 VanDerWaalsContact O-N 3.12Å; G448-E452 WeakPolarHBondContact O-CG 3.32Å; G448-E452 PolarHBondContact O-N 2.72Å
449	F	84.2	Confident	82	Confident	74 Å²	74	48.7 Å²	48.7	33%	0.325	26%	0.262	S	S	.	.	H	α-helix	trans	-60.5	-37.8	177.6	-67.5	-55.6	0	0	0	113.1	V445 Q446 E452 S453 F484	V445-F449 HydrophobicContact CG1-CD2 4Å; V445-F449 HydrophobicContact CG1-CE2 3.46Å; V445-F449 VanDerWaalsContact CG1-CE2 3.46Å; V445-F449 HydrophobicContact CG1-CZ 4.26Å; V445-F449 VanDerWaalsContact O-CD2 3.25Å; V445-F449 WeakPolarHBondContact O-CD2 3.27Å; V445-F449 PolarHBondContact O-N 3.29Å; V445-F449 VanDerWaalsContact O-N 3.1Å; Q446-F449 PolarHBondContact O-N 3.07Å; F449-E452 PolarHBondContact O-N 3.29Å; F449-S453 WeakPolarHBondContact O-CB 3.22Å; F449-S453 PolarHBondContact O-N 3.34Å; F449-S453 PolarHBondContact O-OG 3.28Å; F449-S453 VanDerWaalsContact O-OG 3.07Å; F449-F484 HydrophobicContact CB-CD1 4.17Å; F449-F484 HydrophobicContact CB-CE1 4.02Å; F449-F484 HydrophobicContact CD2-CD1 4.41Å; F449-F484 HydrophobicContact CG-CD1 4.28Å
450	R	84.9	Confident	81.3	Confident	82 Å²	82	47.3 Å²	47.3	31%	0.309	26%	0.263	S	S	.	.	H	α-helix	trans	-66	-41	175.8	-173.1	-177.4	179.1	112.8	-13.7	111.6	L431 R434 P435 Q446 L447 G448 S453 W454	L431-R450 HydrophobicContact CD1-CG 4.49Å; L431-R450 HydrophobicContact CD2-CG 4.18Å; R434-R450 PolarHBondContact O-NH2 2.9Å; P435-R450 PolarHBondContact O-NH1 2.78Å; Q446-R450 WeakPolarHBondContact O-CB 3.24Å; Q446-R450 PolarHBondContact O-N 3.36Å; L447-R450 PolarHBondContact O-N 2.7Å; G448-R450 VanDerWaalsContact C-N 3.3Å; G448-R450 PolarHBondContact O-N 3.12Å; R450-S453 PolarHBondContact O-N 3.45Å; R450-W454 VanDerWaalsContact O-CB 3.32Å; R450-W454 WeakPolarHBondContact O-CB 3.04Å; R450-W454 PolarHBondContact O-N 3.35Å
451	A	86.9	Confident	79.9	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-63.6	-44.1	175.6	0	0	0	0	0	111.4	L427 L431 L447 G448 W454 I455 F496	L427-A451 HydrophobicContact CD2-CB 3.96Å; L431-A451 HydrophobicContact CD1-CB 3.69Å; L447-A451 WeakPolarHBondContact O-CB 3.5Å; L447-A451 PolarHBondContact O-N 3.5Å; G448-A451 WeakPolarHBondContact O-CB 3.46Å; G448-A451 PolarHBondContact O-N 2.79Å; G448-A451 VanDerWaalsContact O-N 3.12Å; A451-W454 PolarHBondContact O-N 2.72Å; A451-I455 WeakPolarHBondContact O-CB 3.28Å; A451-I455 WeakPolarHBondContact O-CD1 3.29Å; A451-I455 VanDerWaalsContact O-CG1 3.22Å; A451-I455 WeakPolarHBondContact O-CG1 3.24Å; A451-I455 PolarHBondContact O-N 2.73Å; A451-F496 HydrophobicContact CB-CB 4.22Å; A451-F496 HydrophobicContact CB-CD1 3.59Å; A451-F496 HydrophobicContact CB-CD2 4.25Å; A451-F496 HydrophobicContact CB-CE1 3.94Å; A451-F496 HydrophobicContact CB-CG 3.74Å; A451-F496 HydrophobicContact CB-CZ 4.43Å
452	E	84.7	Confident	78	Confident	22 Å²	22	54.6 Å²	54.6	10%	0.103	29%	0.292	C	S	.	.	H	α-helix	trans	-59.4	-48.7	174.9	-70.7	165.3	-168.6	0	0	111.8	G448 F449 W454 I455 A456 L494 S495 F496	G448-E452 WeakPolarHBondContact O-CG 3.32Å; G448-E452 PolarHBondContact O-N 2.72Å; F449-E452 PolarHBondContact O-N 3.29Å; E452-W454 PolarHBondContact O-N 3.35Å; E452-I455 PolarHBondContact O-N 2.74Å; E452-A456 VanDerWaalsContact O-CB 3.31Å; E452-A456 WeakPolarHBondContact O-CB 3.47Å; E452-A456 PolarHBondContact O-N 3.15Å; E452-L494 HydrophobicContact CB-CD2 4.33Å; E452-L494 VanDerWaalsContact CD-O 3.24Å; E452-L494 HydrophobicContact CG-CB 4.4Å; E452-L494 HydrophobicContact CG-CD2 4.01Å; E452-L494 HydrophobicContact CG-CG 4.46Å; E452-S495 VanDerWaalsContact OE1-CA 3.32Å; E452-S495 WeakPolarHBondContact OE1-CA 3.41Å; E452-F496 HydrophobicContact CG-CB 3.94Å; E452-F496 PolarHBondContact OE1-N 3.45Å
453	S	83.2	Confident	76	Confident	48 Å²	48	56 Å²	56	34%	0.336	30%	0.303	S	S	.	.	H	α-helix	trans	-62	-40.2	176.4	-68.9	0	0	0	0	112.7	F449 R450 K457 G486	F449-S453 WeakPolarHBondContact O-CB 3.22Å; F449-S453 PolarHBondContact O-N 3.34Å; F449-S453 PolarHBondContact O-OG 3.28Å; F449-S453 VanDerWaalsContact O-OG 3.07Å; R450-S453 PolarHBondContact O-N 3.45Å; S453-K457 WeakPolarHBondContact O-CB 3.21Å; S453-K457 PolarHBondContact O-N 2.65Å; S453-K457 VanDerWaalsContact O-N 3.1Å; S453-G486 PolarHBondContact OG-O 2.71Å
454	W	85.7	Confident	73.5	Confident	20 Å²	20	61.6 Å²	61.6	8%	0.076	33%	0.325	C	S	.	.	H	α-helix	trans	-64.2	-49	176.5	-174.4	90.3	0	0	0	110.7	L63 E71 L72 D75 L427 L431 R450 A451 E452 A456 K457 H458	L63-W454 HydrophobicContact CD1-CH2 4.45Å; L63-W454 HydrophobicContact CD1-CZ3 3.99Å; E71-W454 HydrophobicContact CB-CH2 3.92Å; E71-W454 HydrophobicContact CB-CZ2 4.04Å; L72-W454 HydrophobicContact CD2-CH2 3.88Å; L72-W454 HydrophobicContact CD2-CZ2 3.52Å; L72-W454 HydrophobicContact CG-CH2 4.05Å; L72-W454 HydrophobicContact CG-CZ2 4.04Å; D75-W454 PolarHBondContact OD2-NE1 3.48Å; D75-W454 VanDerWaalsContact OD2-NE1 3.09Å; L427-W454 HydrophobicContact CD1-CD2 3.93Å; L427-W454 HydrophobicContact CD1-CE3 3.52Å; L427-W454 HydrophobicContact CD1-CH2 4.4Å; L427-W454 HydrophobicContact CD1-CZ3 3.79Å; L427-W454 HydrophobicContact CD2-CE3 4.45Å; L431-W454 HydrophobicContact CD2-CG 4.49Å; R450-W454 VanDerWaalsContact O-CB 3.32Å; R450-W454 WeakPolarHBondContact O-CB 3.04Å; R450-W454 PolarHBondContact O-N 3.35Å; A451-W454 PolarHBondContact O-N 2.72Å; E452-W454 PolarHBondContact O-N 3.35Å; W454-A456 VanDerWaalsContact C-N 3.35Å; W454-A456 PolarHBondContact O-N 2.77Å; W454-K457 PolarHBondContact O-N 3.13Å; W454-H458 AromaticContact CD2-CD2 3.89Å; W454-H458 AromaticContact CE2-CD2 3.58Å; W454-H458 AromaticContact CE2-NE2 3.7Å; W454-H458 AromaticContact CZ2-CD2 3.89Å; W454-H458 AromaticContact CZ2-NE2 3.98Å; W454-H458 AromaticContact NE1-CD2 3.73Å; W454-H458 AromaticContact NE1-NE2 3.49Å; W454-H458 PolarHBondContact NE1-NE2 3.3Å; W454-H458 PolarHBondContact O-CD2 3.08Å; W454-H458 VanDerWaalsContact O-CD2 3.26Å; W454-H458 PolarHBondContact O-N 3.26Å
455	I	85.1	Confident	71.4	Confident	1 Å²	1	64.9 Å²	64.9	1%	0.005	34%	0.34	C	S	.	.	H	α-helix	trans	-60.8	-46	178.4	-67.4	165.4	0	0	0	110.3	I61 L427 A451 E452 K457 H458 L459 L494	I61-I455 HydrophobicContact CB-CD1 4.5Å; I61-I455 HydrophobicContact CD1-CD1 4.43Å; I61-I455 HydrophobicContact CG1-CD1 3.81Å; I61-I455 HydrophobicContact CG2-CD1 4.21Å; L427-I455 HydrophobicContact CD2-CD1 3.65Å; L427-I455 HydrophobicContact CD2-CG1 3.96Å; A451-I455 WeakPolarHBondContact O-CB 3.28Å; A451-I455 WeakPolarHBondContact O-CD1 3.29Å; A451-I455 VanDerWaalsContact O-CG1 3.22Å; A451-I455 WeakPolarHBondContact O-CG1 3.24Å; A451-I455 PolarHBondContact O-N 2.73Å; E452-I455 PolarHBondContact O-N 2.74Å; I455-K457 VanDerWaalsContact C-N 3.27Å; I455-K457 PolarHBondContact O-N 3.32Å; I455-H458 PolarHBondContact O-N 3.42Å; I455-H458 VanDerWaalsContact O-N 3.14Å; I455-L459 HydrophobicContact CG2-CD1 3.71Å; I455-L459 HydrophobicContact CG2-CG 4.15Å; I455-L459 VanDerWaalsContact O-CG 3.32Å; I455-L459 WeakPolarHBondContact O-CG 3.47Å; I455-L459 PolarHBondContact O-N 3.44Å; I455-L494 HydrophobicContact CB-CD2 3.85Å; I455-L494 HydrophobicContact CD1-CD2 3.48Å; I455-L494 VanDerWaalsContact CD1-CD2 3.48Å; I455-L494 HydrophobicContact CG1-CD2 4.26Å; I455-L494 HydrophobicContact CG2-CD2 3.8Å
456	A	79.7	Confident	69	Low	36 Å²	36	65 Å²	65	30%	0.298	35%	0.345	S	S	.	.	H	α-helix	trans	-56.6	-40.6	178.5	0	0	0	0	0	112.8	E452 W454	E452-A456 VanDerWaalsContact O-CB 3.31Å; E452-A456 WeakPolarHBondContact O-CB 3.47Å; E452-A456 PolarHBondContact O-N 3.15Å; W454-A456 VanDerWaalsContact C-N 3.35Å; W454-A456 PolarHBondContact O-N 2.77Å
457	K	82.1	Confident	66.9	Low	129 Å²	129	61.7 Å²	61.7	56%	0.561	33%	0.33	S	S	*	.	H	α-helix	trans	-67.6	-35.7	179.4	-174.3	-173.6	174.5	-162.6	0	112.5	S453 W454 I455	S453-K457 WeakPolarHBondContact O-CB 3.21Å; S453-K457 PolarHBondContact O-N 2.65Å; S453-K457 VanDerWaalsContact O-N 3.1Å; W454-K457 PolarHBondContact O-N 3.13Å; I455-K457 VanDerWaalsContact C-N 3.27Å; I455-K457 PolarHBondContact O-N 3.32Å
458	H	77.7	Confident	64.5	Low	49 Å²	49	64 Å²	64	23%	0.227	35%	0.345	C	S	.	.	H	α-helix	trans	-90.8	-10.8	-177.3	-74.4	-91.7	0	0	0	113.5	E71 W454 I455	E71-H458 IonicContact OE2-CE1 3.37Å; E71-H458 PolarHBondContact OE2-CE1 3.49Å; E71-H458 IonicContact OE2-CG 3.98Å; E71-H458 IonicContact OE2-ND1 2.79Å; E71-H458 PolarHBondContact OE2-ND1 3.25Å; W454-H458 AromaticContact CD2-CD2 3.89Å; W454-H458 AromaticContact CE2-CD2 3.58Å; W454-H458 AromaticContact CE2-NE2 3.7Å; W454-H458 AromaticContact CZ2-CD2 3.89Å; W454-H458 AromaticContact CZ2-NE2 3.98Å; W454-H458 AromaticContact NE1-CD2 3.73Å; W454-H458 AromaticContact NE1-NE2 3.49Å; W454-H458 PolarHBondContact NE1-NE2 3.3Å; W454-H458 PolarHBondContact O-CD2 3.08Å; W454-H458 VanDerWaalsContact O-CD2 3.26Å; W454-H458 PolarHBondContact O-N 3.26Å; I455-H458 PolarHBondContact O-N 3.42Å; I455-H458 VanDerWaalsContact O-N 3.14Å
459	L	72.3	Confident	62.3	Low	31 Å²	31	69.1 Å²	69.1	16%	0.162	38%	0.38	C	S	.	.	S	Bend	trans	-79.4	121.3	163.7	-64.9	170.2	0	0	0	108.3	P62 L63 I455 P461 F492	P62-L459 HydrophobicContact CB-CD2 4.39Å; P62-L459 HydrophobicContact CG-CD1 3.56Å; P62-L459 HydrophobicContact CG-CD2 3.76Å; P62-L459 HydrophobicContact CG-CG 4.25Å; L63-L459 HydrophobicContact CD2-CD2 3.9Å; L63-L459 HydrophobicContact CG-CD2 4.48Å; I455-L459 HydrophobicContact CG2-CD1 3.71Å; I455-L459 HydrophobicContact CG2-CG 4.15Å; I455-L459 VanDerWaalsContact O-CG 3.32Å; I455-L459 WeakPolarHBondContact O-CG 3.47Å; I455-L459 PolarHBondContact O-N 3.44Å; L459-P461 WeakPolarHBondContact O-CD 3.26Å; L459-F492 HydrophobicContact CD1-CD2 4.18Å; L459-F492 HydrophobicContact CD1-CE2 4.34Å
460	S	54.7	Low	60.3	Low	98 Å²	98	68.8 Å²	68.8	69%	0.685	39%	0.388	S	S	*	.			trans	-55.2	125.8	-174.7	46.4	0	0	0	0	111.7	Q462	S460-Q462 PolarHBondContact O-N 2.87Å; S460-Q462 VanDerWaalsContact O-N 3.08Å
461	P	44.5	Very low	58.4	Low	87 Å²	87	66.9 Å²	66.9	57%	0.565	38%	0.383	S	S	*	.			trans	-74.8	11.3	178.1	27.7	-33	0	0	0	114.2	L459 S463 H464	L459-P461 WeakPolarHBondContact O-CD 3.26Å; P461-S463 PolarHBondContact O-N 3.13Å; P461-S463 VanDerWaalsContact O-N 3.08Å; P461-H464 PolarHBondContact O-CD2 2.67Å; P461-H464 PolarHBondContact O-NE2 2.97Å
462	Q	38.4	Very low	56.1	Low	186 Å²	186	69.3 Å²	69.3	87%	0.869	41%	0.408	S	S	*	.	S	Bend	trans	-76.5	6.7	-169.9	-76.1	-174	-8.4	0	0	115.8	S460	S460-Q462 PolarHBondContact O-N 2.87Å; S460-Q462 VanDerWaalsContact O-N 3.08Å
463	S	37.1	Very low	53.6	Low	44 Å²	44	71.9 Å²	71.9	31%	0.308	43%	0.428	S	S	.	.			trans	-141.5	74	169.3	54.2	0	0	0	0	111.5	P461 I465	P461-S463 PolarHBondContact O-N 3.13Å; P461-S463 VanDerWaalsContact O-N 3.08Å; S463-I465 PolarHBondContact O-N 2.86Å
464	H	32.9	Very low	51.2	Low	168 Å²	168	75.1 Å²	75.1	78%	0.778	45%	0.448	S	S	*	.			trans	-67.3	95	165	-68.1	-78.6	0	0	0	109.4	P461	P461-H464 PolarHBondContact O-CD2 2.67Å; P461-H464 PolarHBondContact O-NE2 2.97Å
465	I	40.3	Very low	48.6	Very low	92 Å²	92	80.5 Å²	80.5	47%	0.472	48%	0.477	S	S	.	.			trans	-105	112.6	157.5	-59.3	173.2	0	0	0	105.7	P201 S463 L467	P201-I465 HydrophobicContact CB-CD1 4.48Å; S463-I465 PolarHBondContact O-N 2.86Å; I465-L467 PolarHBondContact O-N 3.37Å
466	S	36.3	Very low	45.9	Very low	95 Å²	95	87.1 Å²	87.1	66%	0.664	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-61.4	126.7	171.7	47.3	0	0	0	0	109.3
467	L	41	Very low	43.5	Very low	29 Å²	29	88.4 Å²	88.4	15%	0.152	54%	0.535	C	S	.	.	P	Polyproline II helix	trans	-53.8	140.8	161.2	-66.7	177.5	0	0	0	108.5	F199 F272 I465 S469 I471 P490	F199-L467 HydrophobicContact CE1-CD2 3.84Å; F272-L467 HydrophobicContact CE1-CD2 4.23Å; F272-L467 HydrophobicContact CE2-CD2 4.49Å; F272-L467 HydrophobicContact CZ-CD2 3.9Å; I465-L467 PolarHBondContact O-N 3.37Å; L467-S469 PolarHBondContact O-N 3.34Å; L467-I471 HydrophobicContact CB-CB 4.26Å; L467-I471 HydrophobicContact CB-CD1 4.05Å; L467-I471 HydrophobicContact CD1-CB 4Å; L467-I471 HydrophobicContact CD1-CD1 4.36Å; L467-I471 HydrophobicContact CD1-CG2 3.71Å; L467-I471 HydrophobicContact CD2-CD1 3.62Å; L467-I471 HydrophobicContact CG-CD1 4.22Å; L467-P490 WeakPolarHBondContact CD1-O 3.38Å; L467-P490 WeakPolarHBondContact CG-O 3.39Å
468	P	37.5	Very low	40.8	Very low	49 Å²	49	90.6 Å²	90.6	32%	0.318	55%	0.552	S	S	.	*	P	Polyproline II helix	trans	-53.3	136.1	164.4	21.1	-29.6	0	0	0	108.3	I302 S470 I471	I302-P468 HydrophobicContact CD1-CG 4.07Å; P468-S470 PolarHBondContact O-N 3.02Å; P468-I471 HydrophobicContact CG-CD1 4.02Å; P468-I471 HydrophobicContact CG-CG1 4.37Å; P468-I471 PolarHBondContact O-N 2.91Å
469	S	38.8	Very low	38.6	Very low	111 Å²	111	92.2 Å²	92.2	78%	0.776	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.2	-4.2	-176.6	29.6	0	0	0	0	114.7	L467	L467-S469 PolarHBondContact O-N 3.34Å
470	S	43.5	Very low	37	Very low	68 Å²	68	96.4 Å²	96.4	48%	0.476	60%	0.598	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.8	-17.8	170.7	52.4	0	0	0	0	115.1	I302 P468	I302-S470 WeakPolarHBondContact CD1-OG 3.47Å; P468-S470 PolarHBondContact O-N 3.02Å
471	I	44.8	Very low	35.8	Very low	42 Å²	42	99.3 Å²	99.3	22%	0.215	61%	0.606	C	S	.	*	T	Hydrogen-bonded Turn	trans	-83.6	-32.6	177.9	-60.3	172.3	0	0	0	111.2	I302 F308 L467 P468	I302-I471 HydrophobicContact CD1-CD1 3.75Å; I302-I471 HydrophobicContact CD1-CG1 3.33Å; F308-I471 HydrophobicContact CE1-CG1 4.36Å; F308-I471 HydrophobicContact CZ-CG1 4.26Å; F308-I471 HydrophobicContact CZ-CG2 4.28Å; L467-I471 HydrophobicContact CB-CB 4.26Å; L467-I471 HydrophobicContact CB-CD1 4.05Å; L467-I471 HydrophobicContact CD1-CB 4Å; L467-I471 HydrophobicContact CD1-CD1 4.36Å; L467-I471 HydrophobicContact CD1-CG2 3.71Å; L467-I471 HydrophobicContact CD2-CD1 3.62Å; L467-I471 HydrophobicContact CG-CD1 4.22Å; P468-I471 HydrophobicContact CG-CD1 4.02Å; P468-I471 HydrophobicContact CG-CG1 4.37Å; P468-I471 PolarHBondContact O-N 2.91Å
472	G	38.6	Very low	35.2	Very low	50 Å²	50	99.7 Å²	99.7	52%	0.515	61%	0.611	S	S	.	*	S	Bend	trans	-111.9	18.2	-170.3	0	0	0	0	0	115.4	P474	G472-P474 WeakPolarHBondContact O-CD 3.25Å
473	S	32	Very low	34.8	Very low	76 Å²	76	100 Å²	100	53%	0.531	61%	0.612	S	S	.	*			trans	-75.8	110.5	170.1	63	0	0	0	0	109.2	I475	S473-I475 PolarHBondContact O-N 3.08Å; S473-I475 VanDerWaalsContact O-N 3.08Å
474	P	31.6	Very low	34.3	Very low	117 Å²	117	104.7 Å²	104.7	76%	0.76	63%	0.627	S	S	*	*			trans	-58.8	119.4	161.4	25.2	-31.7	0	0	0	106.3	G472 T476	G472-P474 WeakPolarHBondContact O-CD 3.25Å; P474-T476 PolarHBondContact O-N 2.87Å
475	I	32.2	Very low	34.3	Very low	132 Å²	132	102.3 Å²	102.3	68%	0.677	63%	0.629	S	S	*	*			trans	-59.7	106.7	171.5	-61.9	171.9	0	0	0	105.8	S473 G477	S473-I475 PolarHBondContact O-N 3.08Å; S473-I475 VanDerWaalsContact O-N 3.08Å; I475-G477 PolarHBondContact O-N 3.31Å; I475-G477 VanDerWaalsContact O-N 3.12Å
476	T	27.1	Very low	33.6	Very low	141 Å²	141	98.7 Å²	98.7	87%	0.865	62%	0.615	S	S	*	*	S	Bend	trans	-4.3	98.2	168	39.8	0	0	0	0	113.9	P474	P474-T476 PolarHBondContact O-N 2.87Å
477	G	29.7	Very low	33.4	Very low	63 Å²	63	96.6 Å²	96.6	65%	0.649	61%	0.609	S	S	*	*			trans	-150.1	99.4	170.6	0	0	0	0	0	107.6	I475 S479	I475-G477 PolarHBondContact O-N 3.31Å; I475-G477 VanDerWaalsContact O-N 3.12Å; G477-S479 PolarHBondContact O-N 3.41Å; G477-S479 VanDerWaalsContact O-N 3.12Å
478	D	27	Very low	33.2	Very low	175 Å²	175	95.8 Å²	95.8	94%	0.936	61%	0.605	S	S	*	*			trans	-59	108.8	177.4	-66.4	-45.4	0	0	0	110.3
479	S	30.7	Very low	33.2	Very low	83 Å²	83	95.6 Å²	95.6	58%	0.58	61%	0.612	S	S	*	*			trans	-137.9	109.6	160.7	61.5	0	0	0	0	108.7	G477 D481	G477-S479 PolarHBondContact O-N 3.41Å; G477-S479 VanDerWaalsContact O-N 3.12Å; S479-D481 PolarHBondContact O-N 2.97Å; S479-D481 VanDerWaalsContact O-N 3.17Å
480	P	38.9	Very low	33.3	Very low	119 Å²	119	94.5 Å²	94.5	77%	0.773	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	4.8	-175.6	28.4	-32.7	0	0	0	114.9	S482	P480-S482 VanDerWaalsContact C-N 3.32Å; P480-S482 PolarHBondContact O-N 2.99Å
481	D	28.3	Very low	33.3	Very low	159 Å²	159	92.8 Å²	92.8	85%	0.85	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	9.7	-178.9	-69.6	-22.6	0	0	0	114.5	S479 Q483	S479-D481 PolarHBondContact O-N 2.97Å; S479-D481 VanDerWaalsContact O-N 3.17Å; D481-Q483 VanDerWaalsContact C-N 3.3Å; D481-Q483 PolarHBondContact O-N 3.48Å
482	S	33.7	Very low	33.7	Very low	94 Å²	94	92.5 Å²	92.5	66%	0.657	59%	0.585	S	S	*	*			trans	-89.8	49.9	174.1	72.6	0	0	0	0	112.7	P480 F484	P480-S482 VanDerWaalsContact C-N 3.32Å; P480-S482 PolarHBondContact O-N 2.99Å; S482-F484 PolarHBondContact O-N 3.4Å
483	Q	29.6	Very low	34.8	Very low	193 Å²	193	93.8 Å²	93.8	90%	0.902	58%	0.58	S	S	*	*			trans	-82.1	2.2	175.2	-118.6	178.5	20	0	0	113.8	D481	D481-Q483 VanDerWaalsContact C-N 3.3Å; D481-Q483 PolarHBondContact O-N 3.48Å
484	F	26.5	Very low	36.7	Very low	143 Å²	143	90.7 Å²	90.7	63%	0.627	56%	0.557	S	S	*	*			trans	-116.5	75.3	172.3	-154.3	-94.6	0	0	0	110.5	F449 S482 G486	F449-F484 HydrophobicContact CB-CD1 4.17Å; F449-F484 HydrophobicContact CB-CE1 4.02Å; F449-F484 HydrophobicContact CD2-CD1 4.41Å; F449-F484 HydrophobicContact CG-CD1 4.28Å; S482-F484 PolarHBondContact O-N 3.4Å; F484-G486 PolarHBondContact O-N 3.17Å
485	S	32.1	Very low	39	Very low	117 Å²	117	86.8 Å²	86.8	82%	0.818	53%	0.533	S	S	*	.			trans	-79.1	61.8	170	65.1	0	0	0	0	110.2	G487	S485-G487 PolarHBondContact O-N 3.24Å; S485-G487 VanDerWaalsContact O-N 3.14Å
486	G	26.7	Very low	41.4	Very low	16 Å²	16	81.5 Å²	81.5	17%	0.165	51%	0.505	C	S	.	.			trans	-77.8	27.1	169.4	0	0	0	0	0	112.8	S453 F484 S488	S453-G486 PolarHBondContact OG-O 2.71Å; F484-G486 PolarHBondContact O-N 3.17Å; G486-S488 PolarHBondContact O-N 3.18Å
487	G	32.2	Very low	44.1	Very low	52 Å²	52	79.6 Å²	79.6	54%	0.536	49%	0.49	S	S	.	.			trans	-68.7	122.3	-178.5	0	0	0	0	0	109.7	S485 G489	S485-G487 PolarHBondContact O-N 3.24Å; S485-G487 VanDerWaalsContact O-N 3.14Å; G487-G489 PolarHBondContact O-N 2.85Å
488	S	36.3	Very low	46.7	Very low	11 Å²	11	76.6 Å²	76.6	8%	0.077	46%	0.459	C	S	.	.			trans	-38.7	125.6	156.3	35.9	0	0	0	0	108.4	G486 F492 L494	G486-S488 PolarHBondContact O-N 3.18Å; S488-F492 WeakPolarHBondContact CB-O 3.32Å; S488-F492 PolarHBondContact OG-O 3.09Å; S488-L494 WeakPolarHBondContact OG-CB 3.34Å; S488-L494 PolarHBondContact OG-N 3.07Å
489	G	37.2	Very low	49.6	Very low	45 Å²	45	71.7 Å²	71.7	46%	0.464	43%	0.433	S	S	.	.			trans	-50.7	166.7	-172.1	0	0	0	0	0	113	G487 L491 F492	G487-G489 PolarHBondContact O-N 2.85Å; G489-L491 PolarHBondContact O-N 3.42Å; G489-F492 PolarHBondContact O-N 3.44Å
490	P	40.7	Very low	52.3	Low	89 Å²	89	71.5 Å²	71.5	58%	0.578	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-10.6	-162.1	21.1	-33.9	0	0	0	115.8	L467	L467-P490 WeakPolarHBondContact CD1-O 3.38Å; L467-P490 WeakPolarHBondContact CG-O 3.39Å
491	L	43.9	Very low	54.7	Low	32 Å²	32	66 Å²	66	17%	0.168	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-30.6	175.7	-168.1	62.7	0	0	0	113.4	G489	G489-L491 PolarHBondContact O-N 3.42Å
492	F	52	Low	57.6	Low	35 Å²	35	58.5 Å²	58.5	15%	0.154	34%	0.344	C	S	.	.			trans	-137.2	94.3	-179.6	-56.2	-75.1	0	0	0	108.3	N58 H200 L459 S488 G489 L494	N58-F492 WeakPolarHBondContact ND2-CD1 3.49Å; H200-F492 AromaticContact CE1-CE1 3.52Å; H200-F492 AromaticContact ND1-CE1 3.57Å; H200-F492 AromaticContact ND1-CZ 3.96Å; L459-F492 HydrophobicContact CD1-CD2 4.18Å; L459-F492 HydrophobicContact CD1-CE2 4.34Å; S488-F492 WeakPolarHBondContact CB-O 3.32Å; S488-F492 PolarHBondContact OG-O 3.09Å; G489-F492 PolarHBondContact O-N 3.44Å; F492-L494 PolarHBondContact O-N 2.96Å
493	D	63.5	Low	60.2	Low	77 Å²	77	57 Å²	57	41%	0.412	33%	0.326	S	S	.	.			trans	-66.2	70.8	158.5	-84.1	-4.6	0	0	0	107.6	K57 N58 S495	K57-D493 CarbonylContact C-O 3.57Å; K57-D493 WeakPolarHBondContact CA-O 3.42Å; K57-D493 WeakPolarHBondContact CB-O 3.41Å; K57-D493 HydrophobicContact CG-CB 4.35Å; N58-D493 PolarHBondContact N-O 2.77Å; D493-S495 PolarHBondContact O-N 2.53Å
494	L	71.7	Confident	63	Low	11 Å²	11	48.3 Å²	48.3	6%	0.058	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-68.8	132.2	176.8	-167.3	88.1	0	0	0	107	N58 Y60 E452 I455 S488 F492	N58-L494 HydrophobicContact CB-CD1 4.23Å; N58-L494 VanDerWaalsContact O-CA 3.31Å; N58-L494 WeakPolarHBondContact O-CA 3.16Å; N58-L494 WeakPolarHBondContact O-CD1 3.25Å; Y60-L494 WeakPolarHBondContact O-CD1 3.47Å; E452-L494 HydrophobicContact CB-CD2 4.33Å; E452-L494 VanDerWaalsContact CD-O 3.24Å; E452-L494 HydrophobicContact CG-CB 4.4Å; E452-L494 HydrophobicContact CG-CD2 4.01Å; E452-L494 HydrophobicContact CG-CG 4.46Å; I455-L494 HydrophobicContact CB-CD2 3.85Å; I455-L494 HydrophobicContact CD1-CD2 3.48Å; I455-L494 VanDerWaalsContact CD1-CD2 3.48Å; I455-L494 HydrophobicContact CG1-CD2 4.26Å; I455-L494 HydrophobicContact CG2-CD2 3.8Å; S488-L494 WeakPolarHBondContact OG-CB 3.34Å; S488-L494 PolarHBondContact OG-N 3.07Å; F492-L494 PolarHBondContact O-N 2.96Å
495	S	79.1	Confident	66	Low	35 Å²	35	41.5 Å²	41.5	25%	0.245	26%	0.256	C	S	.	.			trans	-119.4	122.2	171.4	63.3	0	0	0	0	109.6	N58 E452 D493	N58-S495 PolarHBondContact O-N 2.94Å; E452-S495 VanDerWaalsContact OE1-CA 3.32Å; E452-S495 WeakPolarHBondContact OE1-CA 3.41Å; D493-S495 PolarHBondContact O-N 2.53Å
496	F	83.2	Confident	68.7	Low	22 Å²	22	38.8 Å²	38.8	10%	0.096	23%	0.228	C	C	.	.			trans	-114.1	111.3	179.1	-170.1	-90.5	0	0	0	111.6	I61 A424 L427 T428 A451 E452 A498	I61-F496 HydrophobicContact CD1-CE2 4.1Å; A424-F496 HydrophobicContact CB-CE2 3.73Å; A424-F496 HydrophobicContact CB-CZ 3.9Å; L427-F496 HydrophobicContact CD2-CE2 4.27Å; T428-F496 WeakPolarHBondContact OG1-CZ 3.32Å; A451-F496 HydrophobicContact CB-CB 4.22Å; A451-F496 HydrophobicContact CB-CD1 3.59Å; A451-F496 HydrophobicContact CB-CD2 4.25Å; A451-F496 HydrophobicContact CB-CE1 3.94Å; A451-F496 HydrophobicContact CB-CG 3.74Å; A451-F496 HydrophobicContact CB-CZ 4.43Å; E452-F496 HydrophobicContact CG-CB 3.94Å; E452-F496 PolarHBondContact OE1-N 3.45Å; F496-A498 HydrophobicContact CD1-CB 4.26Å; F496-A498 HydrophobicContact CE1-CB 3.99Å; F496-A498 PolarHBondContact O-N 2.84Å
497	D	83.4	Confident	71.6	Confident	100 Å²	100	44.6 Å²	44.6	54%	0.535	24%	0.244	S	C	.	.			trans	-89.5	103.7	170.6	-178.9	21.3	0	0	0	111.1	N499	D497-N499 VanDerWaalsContact C-N 3.3Å; D497-N499 PolarHBondContact O-N 3.44Å; D497-N499 VanDerWaalsContact OD1-CB 3.29Å; D497-N499 WeakPolarHBondContact OD1-CB 3.34Å; D497-N499 PolarHBondContact OD1-N 2.65Å; D497-N499 PolarHBondContact OD1-ND2 2.8Å
498	A	85	Confident	74.1	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.008	23%	0.227	C	C	.	.	H	α-helix	trans	-71.7	-20.7	177.6	0	0	0	0	0	113.9	L447 F496 R500 S501 L502	L447-A498 HydrophobicContact CB-CB 4.22Å; L447-A498 HydrophobicContact CD2-CB 3.56Å; L447-A498 HydrophobicContact CG-CB 3.99Å; F496-A498 HydrophobicContact CD1-CB 4.26Å; F496-A498 HydrophobicContact CE1-CB 3.99Å; F496-A498 PolarHBondContact O-N 2.84Å; A498-R500 VanDerWaalsContact C-N 3.3Å; A498-R500 PolarHBondContact O-N 3.5Å; A498-S501 PolarHBondContact O-N 2.67Å; A498-L502 HydrophobicContact CB-CD1 4.46Å; A498-L502 WeakPolarHBondContact O-CB 3.5Å; A498-L502 VanDerWaalsContact O-CG 3.28Å; A498-L502 WeakPolarHBondContact O-CG 3.29Å; A498-L502 PolarHBondContact O-N 2.65Å
499	N	87.8	Confident	76.4	Confident	72 Å²	72	48.7 Å²	48.7	39%	0.385	25%	0.253	S	S	.	.	H	α-helix	trans	-62	-38.8	-170.5	-68	-57.7	0	0	0	112.6	P444 D497 Q503	P444-N499 VanDerWaalsContact CB-OD1 3.31Å; P444-N499 WeakPolarHBondContact CB-OD1 3.29Å; D497-N499 VanDerWaalsContact C-N 3.3Å; D497-N499 PolarHBondContact O-N 3.44Å; D497-N499 VanDerWaalsContact OD1-CB 3.29Å; D497-N499 WeakPolarHBondContact OD1-CB 3.34Å; D497-N499 PolarHBondContact OD1-N 2.65Å; D497-N499 PolarHBondContact OD1-ND2 2.8Å; N499-Q503 WeakPolarHBondContact O-CG 3.25Å; N499-Q503 PolarHBondContact O-N 3.27Å; N499-Q503 VanDerWaalsContact O-N 3.12Å
500	R	86.2	Confident	78.8	Confident	79 Å²	79	46.8 Å²	46.8	30%	0.298	23%	0.232	S	C	.	.	H	α-helix	trans	-66.6	-49.3	178	-174.2	-166.2	175.2	95	8.8	111.3	I155 E421 A498 L502 Q503 I504	I155-R500 VanDerWaalsContact CG1-CZ 3.45Å; E421-R500 IonicContact OE1-NH2 3.05Å; E421-R500 IonicContact OE2-CZ 3.58Å; E421-R500 IonicContact OE2-NE 3.54Å; E421-R500 IonicContact OE2-NH2 2.81Å; E421-R500 PolarHBondContact OE2-NH2 3.47Å; A498-R500 VanDerWaalsContact C-N 3.3Å; A498-R500 PolarHBondContact O-N 3.5Å; R500-L502 VanDerWaalsContact C-N 3.28Å; R500-L502 PolarHBondContact O-N 2.87Å; R500-Q503 WeakPolarHBondContact O-CB 3.41Å; R500-Q503 PolarHBondContact O-N 2.69Å; R500-Q503 VanDerWaalsContact O-N 3.11Å; R500-I504 HydrophobicContact CG-CD1 4.28Å; R500-I504 PolarHBondContact O-N 2.79Å; R500-I504 VanDerWaalsContact O-N 3.15Å
501	S	89.1	Confident	81	Confident	3 Å²	3	42.7 Å²	42.7	2%	0.021	21%	0.206	C	C	.	.	H	α-helix	trans	-58	-41.9	177.1	-65.6	0	0	0	0	111.7	A424 A425 T428 A498 Q503 I504 L505	A424-S501 VanDerWaalsContact C-OG 3.25Å; A424-S501 VanDerWaalsContact CB-OG 3.31Å; A424-S501 WeakPolarHBondContact CB-OG 3.42Å; A424-S501 PolarHBondContact O-OG 3.01Å; A425-S501 PolarHBondContact N-OG 3.01Å; T428-S501 WeakPolarHBondContact OG1-CB 3.47Å; A498-S501 PolarHBondContact O-N 2.67Å; S501-Q503 PolarHBondContact O-N 2.92Å; S501-I504 PolarHBondContact O-N 2.85Å; S501-L505 VanDerWaalsContact O-CG 3.27Å; S501-L505 WeakPolarHBondContact O-CG 3.34Å; S501-L505 PolarHBondContact O-N 3.12Å
502	L	89.1	Confident	82.9	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-60.4	-41.1	174.3	-73.6	171.9	0	0	0	112.9	T428 L432 P444 L447 A498 R500 L505 R506 V511 P518	T428-L502 HydrophobicContact CG2-CD2 3.99Å; T428-L502 HydrophobicContact CG2-CG 4.19Å; L432-L502 HydrophobicContact CD1-CD2 3.52Å; P444-L502 HydrophobicContact CB-CD1 4.01Å; L447-L502 HydrophobicContact CD2-CD1 4.35Å; L447-L502 HydrophobicContact CD2-CD2 4.33Å; L447-L502 HydrophobicContact CD2-CG 4.4Å; A498-L502 HydrophobicContact CB-CD1 4.46Å; A498-L502 WeakPolarHBondContact O-CB 3.5Å; A498-L502 VanDerWaalsContact O-CG 3.28Å; A498-L502 WeakPolarHBondContact O-CG 3.29Å; A498-L502 PolarHBondContact O-N 2.65Å; R500-L502 VanDerWaalsContact C-N 3.28Å; R500-L502 PolarHBondContact O-N 2.87Å; L502-L505 PolarHBondContact O-N 3.44Å; L502-R506 WeakPolarHBondContact O-CB 3.34Å; L502-R506 VanDerWaalsContact O-CG 3.25Å; L502-R506 WeakPolarHBondContact O-CG 3.4Å; L502-R506 PolarHBondContact O-N 3.37Å; L502-V511 HydrophobicContact CD2-CG1 4.22Å; L502-P518 HydrophobicContact CD1-CG 4.09Å; L502-P518 HydrophobicContact CD2-CB 3.64Å; L502-P518 HydrophobicContact CD2-CG 3.86Å
503	Q	89.1	Confident	84.3	Confident	61 Å²	61	49.2 Å²	49.2	29%	0.285	24%	0.244	S	C	.	.	H	α-helix	trans	-63.9	-40.5	177.3	-73	168	29.1	0	0	112.1	N499 R500 S501 R507	N499-Q503 WeakPolarHBondContact O-CG 3.25Å; N499-Q503 PolarHBondContact O-N 3.27Å; N499-Q503 VanDerWaalsContact O-N 3.12Å; R500-Q503 WeakPolarHBondContact O-CB 3.41Å; R500-Q503 PolarHBondContact O-N 2.69Å; R500-Q503 VanDerWaalsContact O-N 3.11Å; S501-Q503 PolarHBondContact O-N 2.92Å; Q503-R507 VanDerWaalsContact O-CG 3.31Å; Q503-R507 WeakPolarHBondContact O-CG 3.42Å; Q503-R507 PolarHBondContact O-N 3.34Å; Q503-R507 VanDerWaalsContact O-N 3.08Å
504	I	87.9	Confident	85.2	Confident	12 Å²	12	48 Å²	48	6%	0.062	24%	0.241	C	C	.	.	H	α-helix	trans	-65.1	-49	177.1	-63	153.9	0	0	0	109.9	L98 E421 R500 S501 R506 R507 L508	L98-I504 HydrophobicContact CD2-CG2 4.15Å; E421-I504 VanDerWaalsContact CD-CD1 3.5Å; E421-I504 HydrophobicContact CG-CD1 3.45Å; E421-I504 VanDerWaalsContact CG-CD1 3.45Å; E421-I504 WeakPolarHBondContact OE1-CD1 3.32Å; R500-I504 HydrophobicContact CG-CD1 4.28Å; R500-I504 PolarHBondContact O-N 2.79Å; R500-I504 VanDerWaalsContact O-N 3.15Å; S501-I504 PolarHBondContact O-N 2.85Å; I504-R506 VanDerWaalsContact C-N 3.31Å; I504-R506 PolarHBondContact O-N 3.03Å; I504-R507 WeakPolarHBondContact O-CB 3.42Å; I504-R507 PolarHBondContact O-N 2.87Å; I504-R507 VanDerWaalsContact O-N 3.15Å; I504-L508 HydrophobicContact CG2-CD1 4.26Å; I504-L508 WeakPolarHBondContact O-CG 3.42Å; I504-L508 PolarHBondContact O-N 3.02Å; I504-L508 VanDerWaalsContact O-N 3.15Å
505	L	89.8	Confident	85.5	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-63.4	-36.5	-179.7	-67.4	171.5	0	0	0	112.5	L94 A425 T428 S501 L502 L508 D509 L510 V511	L94-L505 HydrophobicContact CD1-CD2 3.85Å; A425-L505 HydrophobicContact CB-CD2 4.43Å; T428-L505 HydrophobicContact CG2-CD1 3.79Å; S501-L505 VanDerWaalsContact O-CG 3.27Å; S501-L505 WeakPolarHBondContact O-CG 3.34Å; S501-L505 PolarHBondContact O-N 3.12Å; L502-L505 PolarHBondContact O-N 3.44Å; L505-L508 CarbonylContact O-C 3.59Å; L505-L508 PolarHBondContact O-N 3.03Å; L505-D509 PolarHBondContact O-N 2.88Å; L505-L510 HydrophobicContact CB-CB 4.42Å; L505-L510 HydrophobicContact CD2-CB 4.23Å; L505-L510 HydrophobicContact CD2-CD1 3.81Å; L505-L510 PolarHBondContact O-N 3.3Å; L505-V511 HydrophobicContact CB-CB 4.07Å; L505-V511 HydrophobicContact CB-CG2 3.62Å; L505-V511 HydrophobicContact CD1-CG2 3.87Å; L505-V511 HydrophobicContact CG-CG2 4.36Å; L505-V511 PolarHBondContact O-N 2.97Å
506	R	89.2	Confident	85.6	Confident	59 Å²	59	56.9 Å²	56.9	22%	0.223	29%	0.287	C	S	.	.	H	α-helix	trans	-64.9	-40.5	173.1	-77.1	177.7	-172.5	150.6	9.3	112.3	L502 I504 L508 D509 V511 S514	L502-R506 WeakPolarHBondContact O-CB 3.34Å; L502-R506 VanDerWaalsContact O-CG 3.25Å; L502-R506 WeakPolarHBondContact O-CG 3.4Å; L502-R506 PolarHBondContact O-N 3.37Å; I504-R506 VanDerWaalsContact C-N 3.31Å; I504-R506 PolarHBondContact O-N 3.03Å; R506-L508 PolarHBondContact O-N 2.97Å; R506-D509 PolarHBondContact O-N 3.25Å; R506-D509 VanDerWaalsContact O-N 3.08Å; R506-V511 HydrophobicContact CG-CB 4.27Å; R506-V511 HydrophobicContact CG-CG1 4.23Å; R506-V511 WeakPolarHBondContact CG-O 3.33Å; R506-S514 PolarHBondContact NH2-O 3.1Å; R506-S514 VanDerWaalsContact NH2-O 3.13Å
507	R	87.2	Confident	85.6	Confident	138 Å²	138	57.9 Å²	57.9	52%	0.521	30%	0.297	S	S	.	.	H	α-helix	trans	-64.9	-24.6	176	-73.8	173.2	-178.2	178.8	0.8	112.9	Q503 I504	Q503-R507 VanDerWaalsContact O-CG 3.31Å; Q503-R507 WeakPolarHBondContact O-CG 3.42Å; Q503-R507 PolarHBondContact O-N 3.34Å; Q503-R507 VanDerWaalsContact O-N 3.08Å; I504-R507 WeakPolarHBondContact O-CB 3.42Å; I504-R507 PolarHBondContact O-N 2.87Å; I504-R507 VanDerWaalsContact O-N 3.15Å
508	L	85.9	Confident	85.6	Confident	32 Å²	32	53.2 Å²	53.2	17%	0.168	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	8.4	176.1	-62.1	177.3	0	0	0	112.6	F93 L94 K97 I504 L505 R506 L510	F93-L508 HydrophobicContact CE1-CD2 4.44Å; L94-L508 HydrophobicContact CG-CD1 4.46Å; K97-L508 HydrophobicContact CB-CD2 4.03Å; K97-L508 HydrophobicContact CD-CD2 4.43Å; K97-L508 HydrophobicContact CG-CD2 3.95Å; I504-L508 HydrophobicContact CG2-CD1 4.26Å; I504-L508 WeakPolarHBondContact O-CG 3.42Å; I504-L508 PolarHBondContact O-N 3.02Å; I504-L508 VanDerWaalsContact O-N 3.15Å; L505-L508 CarbonylContact O-C 3.59Å; L505-L508 PolarHBondContact O-N 3.03Å; R506-L508 PolarHBondContact O-N 2.97Å; L508-L510 HydrophobicContact CB-CD1 4.15Å; L508-L510 HydrophobicContact CB-CG 4.08Å; L508-L510 HydrophobicContact CD1-CD1 4.39Å; L508-L510 PolarHBondContact O-N 3.44Å
509	D	84.3	Confident	85.6	Confident	117 Å²	117	57.3 Å²	57.3	63%	0.626	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	17.6	-176	-66.2	-41.8	0	0	0	115.4	L505 R506 V521	L505-D509 PolarHBondContact O-N 2.88Å; R506-D509 PolarHBondContact O-N 3.25Å; R506-D509 VanDerWaalsContact O-N 3.08Å; D509-V521 WeakPolarHBondContact O-CG2 3.16Å
510	L	86.4	Confident	85.5	Confident	5 Å²	5	55.1 Å²	55.1	3%	0.026	29%	0.286	C	S	.	.	S	Bend	trans	-81.5	-19.8	178.4	-65.1	176.5	0	0	0	113	I90 L94 Y429 L505 L508 V521 A526	I90-L510 HydrophobicContact CG2-CD1 3.97Å; I90-L510 HydrophobicContact CG2-CD2 4.23Å; L94-L510 HydrophobicContact CD1-CD1 4.47Å; Y429-L510 HydrophobicContact CD2-CB 4.28Å; Y429-L510 HydrophobicContact CE2-CB 4.16Å; L505-L510 HydrophobicContact CB-CB 4.42Å; L505-L510 HydrophobicContact CD2-CB 4.23Å; L505-L510 HydrophobicContact CD2-CD1 3.81Å; L505-L510 PolarHBondContact O-N 3.3Å; L508-L510 HydrophobicContact CB-CD1 4.15Å; L508-L510 HydrophobicContact CB-CG 4.08Å; L508-L510 HydrophobicContact CD1-CD1 4.39Å; L508-L510 PolarHBondContact O-N 3.44Å; L510-V521 WeakPolarHBondContact O-CB 3.21Å; L510-V521 PolarHBondContact O-N 2.92Å; L510-A526 HydrophobicContact CD2-CB 3.74Å
511	V	87.5	Confident	85.4	Confident	4 Å²	4	52.1 Å²	52.1	2%	0.024	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	130	178	171.8	0	0	0	0	108.9	Y429 L432 L502 L505 R506 P518 N519	Y429-V511 HydrophobicContact CD2-CG2 4.49Å; L432-V511 HydrophobicContact CD1-CG1 4.39Å; L432-V511 HydrophobicContact CD1-CG2 3.82Å; L502-V511 HydrophobicContact CD2-CG1 4.22Å; L505-V511 HydrophobicContact CB-CB 4.07Å; L505-V511 HydrophobicContact CB-CG2 3.62Å; L505-V511 HydrophobicContact CD1-CG2 3.87Å; L505-V511 HydrophobicContact CG-CG2 4.36Å; L505-V511 PolarHBondContact O-N 2.97Å; R506-V511 HydrophobicContact CG-CB 4.27Å; R506-V511 HydrophobicContact CG-CG1 4.23Å; R506-V511 WeakPolarHBondContact CG-O 3.33Å; V511-P518 HydrophobicContact CG1-CB 3.68Å; V511-N519 CarbonylContact C-O 3.36Å; V511-N519 WeakPolarHBondContact CA-O 3.45Å
512	R	83.7	Confident	85.2	Confident	151 Å²	151	54.4 Å²	54.4	57%	0.57	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.4	168.6	176.8	-63.3	-179	-176.2	-173.4	2.1	110	N519 V521	R512-N519 PolarHBondContact N-O 3.38Å; R512-N519 PolarHBondContact O-N 2.97Å; R512-N519 VanDerWaalsContact O-O 3.11Å; R512-V521 HydrophobicContact CG-CG2 3.78Å
513	G	81.4	Confident	84.8	Confident	53 Å²	53	54.3 Å²	54.3	55%	0.546	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	105.8	-178.1	176.8	0	0	0	0	0	114.3
514	S	82.7	Confident	84.4	Confident	52 Å²	52	55.1 Å²	55.1	36%	0.364	30%	0.298	S	S	.	.			trans	-73.2	166.9	-174.9	79.2	0	0	0	0	111.9	R506 S516 S517	R506-S514 PolarHBondContact NH2-O 3.1Å; R506-S514 VanDerWaalsContact NH2-O 3.13Å; S514-S516 PolarHBondContact O-N 2.87Å; S514-S516 PolarHBondContact OG-N 3.33Å; S514-S516 PolarHBondContact OG-OG 3.32Å; S514-S517 PolarHBondContact N-O 2.97Å; S514-S517 CarbonylContact O-C 3.38Å; S514-S517 PolarHBondContact O-N 3.45Å; S514-S517 PolarHBondContact OG-N 2.99Å; S514-S517 PolarHBondContact OG-OG 2.88Å
515	E	77.2	Confident	84.1	Confident	152 Å²	152	58 Å²	58	71%	0.71	32%	0.316	S	S	*	.	S	Bend	trans	-60	-35.4	174.5	-65.1	-159.6	151.8	0	0	112.6
516	S	81.6	Confident	83.6	Confident	80 Å²	80	58.3 Å²	58.3	56%	0.559	32%	0.319	S	S	*	.	S	Bend	trans	-80.4	-25	178.6	44.3	0	0	0	0	114.6	S514	S514-S516 PolarHBondContact O-N 2.87Å; S514-S516 PolarHBondContact OG-N 3.33Å; S514-S516 PolarHBondContact OG-OG 3.32Å
517	S	82.6	Confident	82.9	Confident	43 Å²	43	56.3 Å²	56.3	30%	0.301	31%	0.314	S	S	.	.	S	Bend	trans	-135.7	75.8	-176.9	55.7	0	0	0	0	111.5	S514	S514-S517 PolarHBondContact N-O 2.97Å; S514-S517 CarbonylContact O-C 3.38Å; S514-S517 PolarHBondContact O-N 3.45Å; S514-S517 PolarHBondContact OG-N 2.99Å; S514-S517 PolarHBondContact OG-OG 2.88Å
518	P	83.8	Confident	82.3	Confident	2 Å²	2	55.2 Å²	55.2	1%	0.013	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	134.2	171.3	29	-34.5	0	0	0	111.4	L432 L442 L502 V511	L432-P518 HydrophobicContact CD1-CB 4.45Å; L432-P518 HydrophobicContact CD2-CB 4.29Å; L432-P518 HydrophobicContact CD2-CG 3.95Å; L442-P518 WeakPolarHBondContact O-CD 3.11Å; L502-P518 HydrophobicContact CD1-CG 4.09Å; L502-P518 HydrophobicContact CD2-CB 3.64Å; L502-P518 HydrophobicContact CD2-CG 3.86Å; V511-P518 HydrophobicContact CG1-CB 3.68Å
519	N	84.6	Confident	81.4	Confident	87 Å²	87	59.5 Å²	59.5	47%	0.465	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	128.5	173.4	-67.7	-18.3	0	0	0	109.2	V511 R512	V511-N519 CarbonylContact C-O 3.36Å; V511-N519 WeakPolarHBondContact CA-O 3.45Å; R512-N519 PolarHBondContact N-O 3.38Å; R512-N519 PolarHBondContact O-N 2.97Å; R512-N519 VanDerWaalsContact O-O 3.11Å
520	A	85.6	Confident	80.8	Confident	25 Å²	25	54.5 Å²	54.5	21%	0.207	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	141.9	173.3	0	0	0	0	0	111	Y429 L432 L433	Y429-A520 HydrophobicContact CD2-CB 4.18Å; Y429-A520 HydrophobicContact CE2-CB 3.94Å; L432-A520 HydrophobicContact CB-CB 3.73Å; L433-A520 HydrophobicContact CD2-CB 3.87Å; L433-A520 HydrophobicContact CG-CB 4.3Å
521	V	85.2	Confident	79.8	Confident	16 Å²	16	57.6 Å²	57.6	10%	0.097	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-74.2	136.7	166.3	178.1	0	0	0	0	108	Y429 D509 L510 R512 T525 A526	Y429-V521 PolarHBondContact OH-O 3.24Å; D509-V521 WeakPolarHBondContact O-CG2 3.16Å; L510-V521 WeakPolarHBondContact O-CB 3.21Å; L510-V521 PolarHBondContact O-N 2.92Å; R512-V521 HydrophobicContact CG-CG2 3.78Å; V521-T525 WeakPolarHBondContact CG1-OG1 3.43Å; V521-A526 HydrophobicContact CG1-CB 4.05Å
522	S	84.5	Confident	78.4	Confident	51 Å²	51	63.3 Å²	63.3	36%	0.357	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-58.7	142.3	-179.2	67.8	0	0	0	0	110.3	D524 T525 A526	S522-D524 PolarHBondContact O-N 2.96Å; S522-T525 PolarHBondContact O-N 2.9Å; S522-T525 PolarHBondContact O-OG1 2.95Å; S522-T525 WeakPolarHBondContact OG-CG2 3.33Å; S522-T525 PolarHBondContact OG-OG1 3.37Å; S522-A526 WeakPolarHBondContact O-CB 3.5Å; S522-A526 PolarHBondContact O-N 3.43Å
523	P	81.2	Confident	76.9	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-65.5	-30.4	-171.5	26.4	-33.4	0	0	0	111.4	E83 I90 Y429 S527	E83-P523 HydrophobicContact CB-CG 3.68Å; E83-P523 HydrophobicContact CG-CG 3.72Å; I90-P523 HydrophobicContact CD1-CB 3.66Å; Y429-P523 WeakPolarHBondContact OH-CA 3.37Å; P523-S527 WeakPolarHBondContact O-CB 3.37Å; P523-S527 PolarHBondContact O-N 3.48Å; P523-S527 PolarHBondContact O-OG 2.79Å
524	D	80.9	Confident	75.5	Confident	78 Å²	78	62.2 Å²	62.2	42%	0.417	37%	0.373	S	S	.	.	H	α-helix	trans	-66.1	-44.1	177	-64.5	-24.5	0	0	0	111.8	S86 S522 S527 V528	S86-D524 VanDerWaalsContact CB-OD1 3.32Å; S86-D524 WeakPolarHBondContact CB-OD1 3.46Å; S86-D524 PolarHBondContact OG-OD1 3.4Å; S522-D524 PolarHBondContact O-N 2.96Å; D524-S527 PolarHBondContact O-N 3.22Å; D524-S527 PolarHBondContact O-OG 3.44Å; D524-V528 WeakPolarHBondContact O-CG2 3.42Å
525	T	81.4	Confident	74	Confident	72 Å²	72	60.1 Å²	60.1	44%	0.442	36%	0.358	S	S	.	.	H	α-helix	trans	-69.8	-45.1	176.9	55.8	0	0	0	0	111.5	V521 S522 S527 V528	V521-T525 WeakPolarHBondContact CG1-OG1 3.43Å; S522-T525 PolarHBondContact O-N 2.9Å; S522-T525 PolarHBondContact O-OG1 2.95Å; S522-T525 WeakPolarHBondContact OG-CG2 3.33Å; S522-T525 PolarHBondContact OG-OG1 3.37Å; T525-S527 VanDerWaalsContact C-N 3.26Å; T525-S527 PolarHBondContact O-N 2.99Å; T525-V528 PolarHBondContact O-N 2.87Å
526	A	79.1	Confident	72.6	Confident	7 Å²	7	57 Å²	57	6%	0.058	35%	0.353	C	S	.	.	H	α-helix	trans	-60.4	-35.1	176.8	0	0	0	0	0	112.5	I90 L510 V521 S522 V528 D529 I530	I90-A526 HydrophobicContact CD1-CB 3.91Å; I90-A526 HydrophobicContact CG1-CB 4.49Å; L510-A526 HydrophobicContact CD2-CB 3.74Å; V521-A526 HydrophobicContact CG1-CB 4.05Å; S522-A526 WeakPolarHBondContact O-CB 3.5Å; S522-A526 PolarHBondContact O-N 3.43Å; A526-V528 VanDerWaalsContact C-N 3.3Å; A526-V528 PolarHBondContact O-N 3.06Å; A526-D529 PolarHBondContact O-N 3.38Å; A526-I530 WeakPolarHBondContact O-CG1 3.38Å
527	S	75	Confident	71.2	Confident	17 Å²	17	63 Å²	63	12%	0.119	37%	0.368	C	S	.	.	H	α-helix	trans	-71.2	-22.7	-179	75.6	0	0	0	0	114.5	P523 D524 T525	P523-S527 WeakPolarHBondContact O-CB 3.37Å; P523-S527 PolarHBondContact O-N 3.48Å; P523-S527 PolarHBondContact O-OG 2.79Å; D524-S527 PolarHBondContact O-N 3.22Å; D524-S527 PolarHBondContact O-OG 3.44Å; T525-S527 VanDerWaalsContact C-N 3.26Å; T525-S527 PolarHBondContact O-N 2.99Å
528	V	73.5	Confident	69.6	Low	116 Å²	116	62.8 Å²	62.8	70%	0.703	37%	0.367	S	S	*	.	H	α-helix	trans	-75.4	-35.1	178.1	173.7	0	0	0	0	111	D524 T525 A526 I530	D524-V528 WeakPolarHBondContact O-CG2 3.42Å; T525-V528 PolarHBondContact O-N 2.87Å; A526-V528 VanDerWaalsContact C-N 3.3Å; A526-V528 PolarHBondContact O-N 3.06Å; V528-I530 VanDerWaalsContact C-N 3.27Å; V528-I530 PolarHBondContact O-N 2.85Å
529	D	67.3	Low	68	Low	122 Å²	122	65.9 Å²	65.9	65%	0.652	38%	0.383	S	S	*	.	S	Bend	trans	-78.3	-10.5	-179.5	-66.5	-24.4	0	0	0	113.1	A526 P531	A526-D529 PolarHBondContact O-N 3.38Å; D529-P531 WeakPolarHBondContact O-CD 3.41Å
530	I	71.3	Confident	66.8	Low	12 Å²	12	63.3 Å²	63.3	6%	0.062	38%	0.377	C	S	.	.	S	Bend	trans	-73.6	120.2	178.5	-66.4	168.2	0	0	0	109.3	I90 F93 A526 V528 N532 L535	I90-I530 HydrophobicContact CG1-CD1 4.04Å; F93-I530 HydrophobicContact CB-CD1 3.82Å; F93-I530 HydrophobicContact CB-CG1 4.35Å; F93-I530 HydrophobicContact CB-CG2 4.16Å; F93-I530 HydrophobicContact CD1-CD1 4.17Å; F93-I530 HydrophobicContact CD1-CG1 4.14Å; F93-I530 HydrophobicContact CD2-CB 4.38Å; F93-I530 HydrophobicContact CD2-CG1 4.12Å; F93-I530 HydrophobicContact CD2-CG2 3.48Å; F93-I530 VanDerWaalsContact CD2-CG2 3.48Å; F93-I530 HydrophobicContact CE1-CG1 4.45Å; F93-I530 HydrophobicContact CE2-CG1 4.42Å; F93-I530 HydrophobicContact CE2-CG2 4.03Å; F93-I530 HydrophobicContact CG-CD1 3.93Å; F93-I530 HydrophobicContact CG-CG1 3.95Å; F93-I530 HydrophobicContact CG-CG2 3.96Å; A526-I530 WeakPolarHBondContact O-CG1 3.38Å; V528-I530 VanDerWaalsContact C-N 3.27Å; V528-I530 PolarHBondContact O-N 2.85Å; I530-N532 PolarHBondContact O-N 3.13Å; I530-L535 HydrophobicContact CG2-CD1 3.76Å
531	P	65.7	Low	65.6	Low	70 Å²	70	63.3 Å²	63.3	46%	0.455	37%	0.373	S	S	.	.			trans	-59.6	126.4	177.4	23	-31.8	0	0	0	110	D529 D533	D529-P531 WeakPolarHBondContact O-CD 3.41Å; P531-D533 PolarHBondContact O-N 3.48Å
532	N	57.7	Low	64.6	Low	123 Å²	123	67.2 Å²	67.2	66%	0.658	39%	0.394	S	S	*	.			trans	-69.2	12.1	-176.9	-88.5	-33.1	0	0	0	114.4	I530 G534 L535	I530-N532 PolarHBondContact O-N 3.13Å; N532-G534 PolarHBondContact O-N 2.95Å; N532-L535 PolarHBondContact O-N 2.87Å
533	D	51.9	Low	63.6	Low	136 Å²	136	67.1 Å²	67.1	73%	0.727	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	96.3	179.9	-78.7	-15.5	0	0	0	110.6	R96 P531 L535	R96-D533 PolarHBondContact NH1-O 3.45Å; P531-D533 PolarHBondContact O-N 3.48Å; D533-L535 PolarHBondContact O-N 3.06Å; D533-L535 VanDerWaalsContact O-N 3.1Å
534	G	53.5	Low	62.6	Low	45 Å²	45	67.3 Å²	67.3	46%	0.464	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.3	3.3	176.2	0	0	0	0	0	116.6	R96 N532 S538	R96-G534 PolarHBondContact NH2-O 3.36Å; N532-G534 PolarHBondContact O-N 2.95Å; G534-S538 PolarHBondContact O-OG 2.94Å
535	L	50.2	Low	61.7	Low	9 Å²	9	68.7 Å²	68.7	5%	0.047	39%	0.386	C	S	.	.	H	α-helix	trans	-67.6	-40.2	174.6	-106.4	119.5	0	0	0	110.9	K89 V92 I530 N532 D533 K537 S538 I539	K89-L535 HydrophobicContact CB-CD2 4.41Å; V92-L535 HydrophobicContact CB-CD2 4.45Å; V92-L535 HydrophobicContact CG1-CD2 4.24Å; I530-L535 HydrophobicContact CG2-CD1 3.76Å; N532-L535 PolarHBondContact O-N 2.87Å; D533-L535 PolarHBondContact O-N 3.06Å; D533-L535 VanDerWaalsContact O-N 3.1Å; L535-K537 VanDerWaalsContact C-N 3.3Å; L535-K537 PolarHBondContact O-N 3.05Å; L535-S538 CarbonylContact O-C 3.6Å; L535-S538 PolarHBondContact O-N 2.68Å; L535-I539 VanDerWaalsContact O-CG1 3.3Å; L535-I539 WeakPolarHBondContact O-CG1 3.4Å; L535-I539 PolarHBondContact O-N 3.47Å
536	S	49.1	Very low	60.6	Low	86 Å²	86	71 Å²	71	60%	0.601	40%	0.399	S	S	*	.	H	α-helix	trans	-59.5	-33.2	-174.4	56.9	0	0	0	0	114.8
537	K	50.1	Low	59.6	Low	205 Å²	205	73 Å²	73	89%	0.891	41%	0.411	S	S	*	.	H	α-helix	trans	-85.6	-14.3	176.7	-68.3	-172.8	-179.9	-179.1	0	113.9	L535	L535-K537 VanDerWaalsContact C-N 3.3Å; L535-K537 PolarHBondContact O-N 3.05Å
538	S	50	Low	58.8	Low	39 Å²	39	75 Å²	75	27%	0.273	42%	0.421	S	S	.	.	H	α-helix	trans	-134.2	28.7	-172.1	64.3	0	0	0	0	113.9	R96 G534 L535 G540	R96-S538 PolarHBondContact NH2-OG 3.04Å; G534-S538 PolarHBondContact O-OG 2.94Å; L535-S538 CarbonylContact O-C 3.6Å; L535-S538 PolarHBondContact O-N 2.68Å; S538-G540 PolarHBondContact O-N 2.72Å
539	I	50.5	Low	58.2	Low	67 Å²	67	69.8 Å²	69.8	34%	0.344	39%	0.389	S	S	.	.			trans	-58.6	-10.8	165.6	-75.9	146.9	0	0	0	111.3	L535 L541	L535-I539 VanDerWaalsContact O-CG1 3.3Å; L535-I539 WeakPolarHBondContact O-CG1 3.4Å; L535-I539 PolarHBondContact O-N 3.47Å; I539-L541 PolarHBondContact O-N 2.92Å
540	G	59.4	Low	57.7	Low	33 Å²	33	65 Å²	65	34%	0.34	36%	0.363	S	S	.	.			trans	-48.4	110.9	165.8	0	0	0	0	0	110.7	S538 D542 R543	S538-G540 PolarHBondContact O-N 2.72Å; G540-D542 PolarHBondContact O-N 3.41Å; G540-R543 PolarHBondContact O-N 2.95Å
541	L	60.1	Low	57.4	Low	26 Å²	26	69.9 Å²	69.9	14%	0.136	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-12.1	169.4	-67.6	167.7	0	0	0	112	E88 I539 R543 L544 W545	E88-L541 HydrophobicContact CB-CD2 4.21Å; E88-L541 HydrophobicContact CG-CD1 4.38Å; E88-L541 HydrophobicContact CG-CD2 4.04Å; I539-L541 PolarHBondContact O-N 2.92Å; L541-R543 PolarHBondContact O-N 3.18Å; L541-R543 VanDerWaalsContact O-N 3.07Å; L541-L544 HydrophobicContact CD2-CD1 3.72Å; L541-L544 WeakPolarHBondContact O-CA 3.47Å; L541-L544 WeakPolarHBondContact O-CB 3.37Å; L541-L544 PolarHBondContact O-N 3.47Å; L541-W545 HydrophobicContact CB-CD2 4.2Å; L541-W545 HydrophobicContact CB-CH2 3.93Å; L541-W545 HydrophobicContact CB-CZ2 3.18Å; L541-W545 HydrophobicContact CD1-CH2 4.44Å; L541-W545 HydrophobicContact CD1-CZ2 3.66Å; L541-W545 HydrophobicContact CG-CZ2 4.06Å; L541-W545 PolarHBondContact O-N 3Å; L541-W545 PolarHBondContact O-NE1 3.44Å
542	D	63.8	Low	56.8	Low	97 Å²	97	73.6 Å²	73.6	52%	0.519	39%	0.393	S	S	.	.	H	α-helix	trans	-39.7	-39.9	167.6	-62.4	-19.7	0	0	0	113.4	G540 L544 W545 V546	G540-D542 PolarHBondContact O-N 3.41Å; D542-L544 PolarHBondContact O-N 2.87Å; D542-W545 PolarHBondContact O-N 2.86Å; D542-W545 VanDerWaalsContact O-N 3.09Å; D542-V546 PolarHBondContact O-N 2.91Å
543	R	64.3	Low	56.3	Low	50 Å²	50	73.9 Å²	73.9	19%	0.189	39%	0.391	C	S	.	.	H	α-helix	trans	-62.3	-43.1	175.5	-171.1	-172.4	177.2	126	-0.9	112.6	E99 G540 L541 W545 T547	E99-R543 IonicContact OE1-NH2 2.66Å; E99-R543 IonicContact OE2-CZ 3.57Å; E99-R543 IonicContact OE2-NE 3.8Å; E99-R543 IonicContact OE2-NH2 3.79Å; E99-R543 PolarHBondContact OE2-NH2 3.36Å; G540-R543 PolarHBondContact O-N 2.95Å; L541-R543 PolarHBondContact O-N 3.18Å; L541-R543 VanDerWaalsContact O-N 3.07Å; R543-W545 PolarHBondContact O-N 3.22Å; R543-T547 WeakPolarHBondContact CA-OG1 3.3Å; R543-T547 WeakPolarHBondContact CG-OG1 3.48Å; R543-T547 PolarHBondContact O-OG1 2.91Å
544	L	60.2	Low	56.1	Low	3 Å²	3	70.5 Å²	70.5	2%	0.016	38%	0.378	C	S	.	.	H	α-helix	trans	-67	-18.3	177.4	-62.7	174.8	0	0	0	111.8	R65 A91 V92 D95 F422 L541 D542	R65-L544 PolarHBondContact NH2-O 3.36Å; A91-L544 HydrophobicContact CB-CD1 4.22Å; V92-L544 HydrophobicContact CG2-CD1 4.12Å; V92-L544 HydrophobicContact CG2-CG 4.31Å; D95-L544 HydrophobicContact CB-CD2 3.67Å; F422-L544 HydrophobicContact CE2-CD2 4.18Å; F422-L544 HydrophobicContact CZ-CD2 3.92Å; L541-L544 HydrophobicContact CD2-CD1 3.72Å; L541-L544 WeakPolarHBondContact O-CA 3.47Å; L541-L544 WeakPolarHBondContact O-CB 3.37Å; L541-L544 PolarHBondContact O-N 3.47Å; D542-L544 PolarHBondContact O-N 2.87Å
545	W	61.8	Low	55.7	Low	107 Å²	107	71.9 Å²	71.9	41%	0.405	38%	0.375	S	S	.	.	H	α-helix	trans	-103.9	-42.9	-169.6	-52.8	-10	0	0	0	113.9	L541 D542 R543	L541-W545 HydrophobicContact CB-CD2 4.2Å; L541-W545 HydrophobicContact CB-CH2 3.93Å; L541-W545 HydrophobicContact CB-CZ2 3.18Å; L541-W545 HydrophobicContact CD1-CH2 4.44Å; L541-W545 HydrophobicContact CD1-CZ2 3.66Å; L541-W545 HydrophobicContact CG-CZ2 4.06Å; L541-W545 PolarHBondContact O-N 3Å; L541-W545 PolarHBondContact O-NE1 3.44Å; D542-W545 PolarHBondContact O-N 2.86Å; D542-W545 VanDerWaalsContact O-N 3.09Å; R543-W545 PolarHBondContact O-N 3.22Å
546	V	57.9	Low	55.3	Low	120 Å²	120	75.7 Å²	75.7	73%	0.727	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.7	-36.9	-164.8	-176.7	0	0	0	0	112.1	D542	D542-V546 PolarHBondContact O-N 2.91Å
547	T	57.6	Low	54.9	Low	50 Å²	50	77 Å²	77	31%	0.307	40%	0.395	S	S	.	.			trans	-81.5	128.8	-175	53.7	0	0	0	0	111.6	R543 P549	R543-T547 WeakPolarHBondContact CA-OG1 3.3Å; R543-T547 WeakPolarHBondContact CG-OG1 3.48Å; R543-T547 PolarHBondContact O-OG1 2.91Å; T547-P549 WeakPolarHBondContact O-CD 3.35Å
548	D	59.3	Low	54.4	Low	60 Å²	60	72.3 Å²	72.3	32%	0.321	38%	0.379	S	S	.	.			trans	-70	115.4	165.9	-167.4	-10.9	0	0	0	108.4	K415 L550 F551	K415-D548 WeakPolarHBondContact CE-OD1 3.48Å; K415-D548 IonicContact NZ-OD1 3.48Å; K415-D548 PolarHBondContact NZ-OD1 2.95Å; K415-D548 IonicContact NZ-OD2 3.38Å; K415-D548 PolarHBondContact NZ-OD2 3.37Å; D548-L550 PolarHBondContact O-N 3.31Å; D548-L550 PolarHBondContact OD1-N 3.01Å; D548-F551 HydrophobicContact CB-CB 3.87Å; D548-F551 PolarHBondContact O-N 3.12Å; D548-F551 VanDerWaalsContact O-N 3.12Å
549	P	59.5	Low	53.7	Low	5 Å²	5	73.9 Å²	73.9	3%	0.032	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-22.8	-174	25.4	-35.4	0	0	0	112.9	E99 H418 T547	E99-P549 HydrophobicContact CG-CB 4.04Å; E99-P549 WeakPolarHBondContact CG-O 3.44Å; E99-P549 VanDerWaalsContact OE1-O 3.07Å; H418-P549 VanDerWaalsContact CE1-CG 3.48Å; H418-P549 WeakPolarHBondContact CE1-CG 3.06Å; H418-P549 WeakPolarHBondContact ND1-CG 3.28Å; T547-P549 WeakPolarHBondContact O-CD 3.35Å
550	L	58.1	Low	53.2	Low	22 Å²	22	78.7 Å²	78.7	12%	0.115	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-0.5	180	-60.6	178.7	0	0	0	113.3	F102 Q103 L414 K415 D548	F102-L550 HydrophobicContact CB-CD2 3.94Å; Q103-L550 HydrophobicContact CG-CD2 4.45Å; L414-L550 HydrophobicContact CB-CD1 4.23Å; K415-L550 HydrophobicContact CB-CD1 4.15Å; D548-L550 PolarHBondContact O-N 3.31Å; D548-L550 PolarHBondContact OD1-N 3.01Å
551	F	63.7	Low	52.4	Low	114 Å²	114	80.3 Å²	80.3	50%	0.5	41%	0.414	S	S	.	.	S	Bend	trans	-91.9	132.3	179.1	-159.4	-94.7	0	0	0	110.2	D548 E553 D555	D548-F551 HydrophobicContact CB-CB 3.87Å; D548-F551 PolarHBondContact O-N 3.12Å; D548-F551 VanDerWaalsContact O-N 3.12Å; F551-E553 PolarHBondContact O-N 3.44Å; F551-D555 HydrophobicContact CE1-CB 3.96Å; F551-D555 HydrophobicContact CZ-CB 4.38Å
552	K	53.8	Low	51.7	Low	149 Å²	149	85.3 Å²	85.3	65%	0.648	44%	0.441	S	S	*	.			trans	-70.7	123.1	-178.6	-69.6	-178.7	177.4	176.1	0	110.2	S554 D555	K552-S554 WeakPolarHBondContact CB-OG 3.45Å; K552-S554 PolarHBondContact O-N 3.2Å; K552-S554 VanDerWaalsContact O-N 3.11Å; K552-D555 PolarHBondContact O-N 3.31Å; K552-D555 VanDerWaalsContact O-N 3.11Å
553	E	47.6	Very low	50.5	Low	128 Å²	128	89.2 Å²	89.2	60%	0.598	46%	0.456	S	S	*	.	H	α-helix	trans	-61.5	-18.3	174.6	-150	167.3	-155.2	0	0	112.5	F551 D555 L556	F551-E553 PolarHBondContact O-N 3.44Å; E553-D555 PolarHBondContact O-N 3.39Å; E553-L556 HydrophobicContact CG-CD1 4.46Å; E553-L556 PolarHBondContact O-N 3.44Å
554	S	46.9	Very low	49.4	Very low	65 Å²	65	95.9 Å²	95.9	46%	0.455	51%	0.508	S	S	.	.	H	α-helix	trans	-57.1	-30.7	172.4	57	0	0	0	0	113.3	K552	K552-S554 WeakPolarHBondContact CB-OG 3.45Å; K552-S554 PolarHBondContact O-N 3.2Å; K552-S554 VanDerWaalsContact O-N 3.11Å
555	D	45.9	Very low	48.9	Very low	75 Å²	75	100.6 Å²	100.6	40%	0.401	53%	0.533	S	S	.	.	H	α-helix	trans	-86.6	-24.1	-172.7	-58.4	-8.4	0	0	0	111.4	F551 K552 E553 N557 L558 S559	F551-D555 HydrophobicContact CE1-CB 3.96Å; F551-D555 HydrophobicContact CZ-CB 4.38Å; K552-D555 PolarHBondContact O-N 3.31Å; K552-D555 VanDerWaalsContact O-N 3.11Å; E553-D555 PolarHBondContact O-N 3.39Å; D555-N557 VanDerWaalsContact C-N 3.31Å; D555-L558 PolarHBondContact O-N 2.95Å; D555-S559 PolarHBondContact O-N 3.41Å
556	L	42.4	Very low	48.2	Very low	89 Å²	89	100.2 Å²	100.2	47%	0.466	54%	0.54	S	S	.	.	H	α-helix	trans	-68.4	-29.2	171.1	-81.8	160.7	0	0	0	112.6	E553 L558 S559	E553-L556 HydrophobicContact CG-CD1 4.46Å; E553-L556 PolarHBondContact O-N 3.44Å; L556-L558 VanDerWaalsContact C-N 3.34Å; L556-S559 PolarHBondContact O-OG 2.93Å; L556-S559 VanDerWaalsContact O-OG 3.05Å
557	N	40.4	Very low	47.7	Very low	114 Å²	114	99.1 Å²	99.1	61%	0.61	53%	0.529	S	S	*	.	H	α-helix	trans	-77	-24.8	175.9	-69.8	-28.4	0	0	0	112.1	D555 S561	D555-N557 VanDerWaalsContact C-N 3.31Å; N557-S561 PolarHBondContact O-N 3.46Å
558	L	38.8	Very low	47.1	Very low	106 Å²	106	102 Å²	102	56%	0.555	54%	0.543	S	S	*	.	H	α-helix	trans	-76.8	-30.9	174.8	-100.2	148	0	0	0	112.9	D555 L556 S561	D555-L558 PolarHBondContact O-N 2.95Å; L556-L558 VanDerWaalsContact C-N 3.34Å; L558-S561 PolarHBondContact O-OG 3.25Å
559	S	35.8	Very low	46.3	Very low	71 Å²	71	104.6 Å²	104.6	50%	0.497	56%	0.556	S	S	.	*	H	α-helix	trans	-72.7	-31.1	174.9	64.2	0	0	0	0	112.4	D555 L556	D555-S559 PolarHBondContact O-N 3.41Å; L556-S559 PolarHBondContact O-OG 2.93Å; L556-S559 VanDerWaalsContact O-OG 3.05Å
560	K	39.3	Very low	45.5	Very low	168 Å²	168	111.3 Å²	111.3	73%	0.73	59%	0.591	S	S	*	*	H	α-helix	trans	-75	-21.3	175.9	-78.5	-175.1	177.6	178.3	0	113.9	N562	K560-N562 VanDerWaalsContact C-N 3.34Å
561	S	44.2	Very low	44.6	Very low	68 Å²	68	117.6 Å²	117.6	48%	0.476	63%	0.625	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.6	-11.7	178.1	58.8	0	0	0	0	114	N557 L558	N557-S561 PolarHBondContact O-N 3.46Å; L558-S561 PolarHBondContact O-OG 3.25Å
562	N	45.4	Very low	43.1	Very low	130 Å²	130	117.9 Å²	117.9	70%	0.695	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.1	8.7	-177.7	-71.9	0.2	0	0	0	114	K560	K560-N562 VanDerWaalsContact C-N 3.34Å
563	E	37.5	Very low	42.2	Very low	180 Å²	180	115.3 Å²	115.3	84%	0.841	63%	0.634	S	S	*	*			trans	-115.3	66.2	165.5	-73.2	-175.7	168.1	0	0	109.7
564	C	42.2	Very low	41.7	Very low	190 Å²	190	114.2 Å²	114.2	100%	1.284	64%	0.637	S	S	*	*			trans	-139.7	0	156.6	-87.3	0	0	0	0	106.1

Retrieved 564 of 564 residues in 1219.6 ms (Link to these results)

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