A0A077ZK54_TRITR Loading...

Chloride channel protein

AlphaFold DB , UniProt , Accession A0A077ZK54, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 755 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	31.5	Very low	27.9	Very low	224 Å²	224	147 Å²	147	100%	1.103	85%	0.851	S	S	*	*				0	102.1	0	-160.5	168.4	-164.5	0	0	107.1
2	F	28.5	Very low	27.5	Very low	196 Å²	196	142 Å²	142	86%	0.86	86%	0.855	S	S	*	*			trans	54.3	124.1	176.7	-53.9	-79.6	0	0	0	117.3
3	S	29.8	Very low	27.4	Very low	102 Å²	102	136.2 Å²	136.2	71%	0.713	84%	0.842	S	S	*	*			cis	-158.5	126.1	16.6	-172.5	0	0	0	0	109.2
4	T	27	Very low	27.4	Very low	142 Å²	142	138.3 Å²	138.3	87%	0.871	85%	0.845	S	S	*	*			trans	-71.8	118.7	158	28.7	0	0	0	0	109.8
5	S	26.5	Very low	27.3	Very low	98 Å²	98	135.1 Å²	135.1	69%	0.685	84%	0.838	S	S	*	*			trans	-177.1	146.9	152.6	44.2	0	0	0	0	112.1
6	C	26.3	Very low	27.2	Very low	121 Å²	121	136.8 Å²	136.8	82%	0.818	84%	0.84	S	S	*	*			trans	88.8	70.4	168	-55.2	0	0	0	0	118.2
7	L	29.5	Very low	27.2	Very low	193 Å²	193	139.2 Å²	139.2	100%	1.01	84%	0.84	S	S	*	*			trans	-154.4	69.3	142.1	-99.8	164.4	0	0	0	107.9
8	G	25.3	Very low	27.2	Very low	65 Å²	65	138.1 Å²	138.1	67%	0.67	84%	0.836	S	S	*	*			trans	-141.3	139.2	172.3	0	0	0	0	0	108.8
9	N	24.7	Very low	27	Very low	165 Å²	165	141.8 Å²	141.8	88%	0.882	84%	0.84	S	S	*	*			trans	73.9	91.1	171.6	-66.1	-3.9	0	0	0	118.5
10	A	27.9	Very low	27	Very low	98 Å²	98	140.6 Å²	140.6	81%	0.81	83%	0.834	S	S	*	*	S	Bend	trans	-140.8	48.6	144.6	0	0	0	0	0	110.2
11	F	29.6	Very low	27	Very low	213 Å²	213	139.7 Å²	139.7	93%	0.934	83%	0.83	S	S	*	*	S	Bend	trans	-144.7	96	162.5	-86	-78.5	0	0	0	106
12	G	23.6	Very low	27.1	Very low	87 Å²	87	130.6 Å²	130.6	90%	0.897	79%	0.793	S	S	*	*			trans	158.2	88.4	-175.1	0	0	0	0	0	110.2
13	G	26	Very low	27.5	Very low	67 Å²	67	126.4 Å²	126.4	69%	0.691	78%	0.778	S	S	*	*			trans	178.7	99.5	178.9	0	0	0	0	0	109.4
14	D	27.1	Very low	27.5	Very low	165 Å²	165	124.3 Å²	124.3	88%	0.882	77%	0.773	S	S	*	*			trans	66.9	104.9	162.7	-51.4	-26.4	0	0	0	119
15	A	25.8	Very low	28.5	Very low	90 Å²	90	122 Å²	122	74%	0.744	75%	0.752	S	S	*	*	S	Bend	trans	-66.6	143.8	157.9	0	0	0	0	0	109.3
16	D	26.2	Very low	29.6	Very low	162 Å²	162	118.2 Å²	118.2	87%	0.866	72%	0.723	S	S	*	*			trans	95.2	49.1	171.1	-50.9	-25	0	0	0	118.4
17	E	27.5	Very low	30.5	Very low	179 Å²	179	117.5 Å²	117.5	84%	0.836	71%	0.711	S	S	*	*			trans	-139.1	135.4	148.9	-82.4	-158.9	159.3	0	0	112.4	F19	E17-F19 PolarHBondContact O-N 3.31Å
18	P	26.3	Very low	31.5	Very low	119 Å²	119	115.1 Å²	115.1	77%	0.773	70%	0.699	S	S	*	*			trans	-68.7	122.9	-179.3	28.1	-30.7	0	0	0	110.1	T20	P18-T20 PolarHBondContact O-N 3.27Å
19	F	24.5	Very low	33	Very low	208 Å²	208	113.3 Å²	113.3	91%	0.912	67%	0.673	S	S	*	*			trans	-48	100	179.6	-84	-98.2	0	0	0	113.1	E17 V21	E17-F19 PolarHBondContact O-N 3.31Å; F19-V21 PolarHBondContact O-N 3.25Å
20	T	26.3	Very low	35.1	Very low	118 Å²	118	108.6 Å²	108.6	72%	0.724	65%	0.646	S	S	*	*			trans	-80.4	108.7	161	47.6	0	0	0	0	108.7	P18 G22	P18-T20 PolarHBondContact O-N 3.27Å; T20-G22 PolarHBondContact O-N 3.15Å
21	V	26.7	Very low	37.2	Very low	122 Å²	122	105 Å²	105	74%	0.739	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.6	120.2	171.9	179.5	0	0	0	0	108.2	F19	F19-V21 PolarHBondContact O-N 3.25Å
22	G	34.3	Very low	39.5	Very low	33 Å²	33	95.5 Å²	95.5	34%	0.34	57%	0.573	S	S	.	*	T	Hydrogen-bonded Turn	trans	127.2	0.8	150.2	0	0	0	0	0	121	T20 Y26	T20-G22 PolarHBondContact O-N 3.15Å; G22-Y26 VanDerWaalsContact O-CE2 3.32Å; G22-Y26 WeakPolarHBondContact O-CE2 3.24Å
23	I	36.2	Very low	42	Very low	107 Å²	107	93.2 Å²	93.2	55%	0.549	54%	0.54	S	S	.	.	S	Bend	trans	-107.2	-34.7	-171.5	-56.2	176.2	0	0	0	114.3
24	G	30	Very low	44.5	Very low	58 Å²	58	91 Å²	91	60%	0.598	51%	0.511	S	S	*	.	S	Bend	trans	-87.3	-19.3	-176.1	0	0	0	0	0	116.4	Y26 D27	G24-Y26 VanDerWaalsContact C-N 3.27Å; G24-Y26 PolarHBondContact O-N 3.32Å; G24-D27 PolarHBondContact O-N 2.81Å
25	Q	47.4	Very low	46.9	Very low	93 Å²	93	86.8 Å²	86.8	44%	0.435	49%	0.486	S	S	.	.	G	3₁₀ helix	trans	-71.1	-19.2	-175.4	-76	-175.1	-38.5	0	0	113.6	D27 F29	Q25-D27 VanDerWaalsContact C-N 3.28Å; Q25-D27 PolarHBondContact O-N 3.36Å; Q25-F29 WeakPolarHBondContact O-CD2 3.34Å; Q25-F29 VanDerWaalsContact O-CE2 3.31Å; Q25-F29 WeakPolarHBondContact O-CE2 3.43Å
26	Y	50.3	Low	49.4	Very low	19 Å²	19	86.8 Å²	86.8	8%	0.075	47%	0.466	C	S	.	.	G	3₁₀ helix	trans	-73.7	-16.2	-178.9	-68.3	-61	0	0	0	114.1	G22 G24 D28 F29 G573 P575 K735 N742	G22-Y26 VanDerWaalsContact O-CE2 3.32Å; G22-Y26 WeakPolarHBondContact O-CE2 3.24Å; G24-Y26 VanDerWaalsContact C-N 3.27Å; G24-Y26 PolarHBondContact O-N 3.32Å; Y26-D28 VanDerWaalsContact C-N 3.29Å; Y26-D28 PolarHBondContact O-N 2.72Å; Y26-F29 PolarHBondContact O-N 3Å; Y26-G573 WeakPolarHBondContact CE1-O 3.15Å; Y26-P575 HydrophobicContact CD1-CB 3.53Å; Y26-P575 HydrophobicContact CD1-CG 3.8Å; Y26-P575 HydrophobicContact CE1-CB 3.56Å; Y26-P575 HydrophobicContact CE1-CG 4.13Å; Y26-K735 WeakPolarHBondContact O-CE 3.48Å; Y26-K735 PolarHBondContact O-NZ 3.5Å; Y26-N742 PolarHBondContact OH-ND2 3.23Å
27	D	44.7	Very low	52.1	Low	106 Å²	106	80.1 Å²	80.1	57%	0.567	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-73.4	-19.5	-171.1	-75.2	-21.2	0	0	0	115.1	G24 Q25 F29 K735	G24-D27 PolarHBondContact O-N 2.81Å; Q25-D27 VanDerWaalsContact C-N 3.28Å; Q25-D27 PolarHBondContact O-N 3.36Å; D27-F29 VanDerWaalsContact C-N 3.32Å; D27-F29 PolarHBondContact O-N 2.91Å; D27-K735 IonicContact OD1-NZ 3.61Å; D27-K735 PolarHBondContact OD1-NZ 3.26Å
28	D	50.2	Low	54.8	Low	143 Å²	143	73.6 Å²	73.6	77%	0.765	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-79.3	-12.9	175.7	-66.8	-24.3	0	0	0	113.7	Y26	Y26-D28 VanDerWaalsContact C-N 3.29Å; Y26-D28 PolarHBondContact O-N 2.72Å
29	F	58.4	Low	57.5	Low	28 Å²	28	70.8 Å²	70.8	12%	0.123	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-92.6	129.2	-177.9	-60.9	-87.8	0	0	0	112.3	Q25 Y26 D27 F191 I193 Y574 P575	Q25-F29 WeakPolarHBondContact O-CD2 3.34Å; Q25-F29 VanDerWaalsContact O-CE2 3.31Å; Q25-F29 WeakPolarHBondContact O-CE2 3.43Å; Y26-F29 PolarHBondContact O-N 3Å; D27-F29 VanDerWaalsContact C-N 3.32Å; D27-F29 PolarHBondContact O-N 2.91Å; F29-F191 HydrophobicContact CB-CD1 4.16Å; F29-I193 HydrophobicContact CD1-CG1 4.25Å; F29-I193 HydrophobicContact CE1-CD1 4.19Å; F29-I193 HydrophobicContact CE1-CG1 3.93Å; F29-Y574 AromaticContact CE1-CD1 4Å; F29-Y574 HydrophobicContact CE1-CD1 4Å; F29-Y574 HydrophobicContact CE1-CE1 4.37Å; F29-Y574 HydrophobicContact CE2-CD1 4.49Å; F29-Y574 AromaticContact CZ-CD1 3.56Å; F29-Y574 HydrophobicContact CZ-CD1 3.56Å; F29-Y574 AromaticContact CZ-CE1 3.93Å; F29-Y574 HydrophobicContact CZ-CE1 3.93Å; F29-P575 HydrophobicContact CB-CG 3.99Å; F29-P575 HydrophobicContact CD1-CG 4.26Å; F29-P575 HydrophobicContact CD2-CG 3.98Å; F29-P575 HydrophobicContact CG-CG 3.81Å
30	H	67.4	Low	60.2	Low	65 Å²	65	67.1 Å²	67.1	30%	0.301	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	140.8	169.5	-63	-64	0	0	0	111.1	F191 I192 R194	H30-F191 CarbonylContact O-C 3.26Å; H30-F191 WeakPolarHBondContact O-CA 3.4Å; H30-I192 PolarHBondContact O-N 3.04Å; H30-R194 PolarHBondContact NE2-NH2 3.3Å
31	T	72.8	Confident	63.1	Low	24 Å²	24	62.7 Å²	62.7	15%	0.147	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	148.9	172	47.4	0	0	0	0	110.9	G190 F191 R718 K734	T31-G190 WeakPolarHBondContact CA-O 3.34Å; T31-F191 HydrophobicContact CG2-CD1 3.58Å; T31-F191 HydrophobicContact CG2-CE1 3.28Å; T31-F191 HydrophobicContact CG2-CZ 4.01Å; T31-R718 WeakPolarHBondContact OG1-CG 3.36Å; T31-K734 HydrophobicContact CG2-CD 4.35Å
32	I	77.4	Confident	65.9	Low	12 Å²	12	64.9 Å²	64.9	6%	0.062	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-88.8	152.7	175.8	-70.2	144.2	0	0	0	111.3	G190 I192 E247	I32-G190 PolarHBondContact N-O 3.13Å; I32-I192 HydrophobicContact CD1-CD1 3.78Å; I32-I192 HydrophobicContact CD1-CG1 3.65Å; I32-I192 HydrophobicContact CG1-CD1 3.62Å; I32-I192 HydrophobicContact CG1-CG1 3.95Å; I32-E247 HydrophobicContact CD1-CB 3.73Å; I32-E247 HydrophobicContact CD1-CG 4.41Å; I32-E247 HydrophobicContact CG1-CB 3.8Å; I32-E247 HydrophobicContact CG1-CG 4.37Å; I32-E247 HydrophobicContact CG2-CB 4.09Å
33	D	75.8	Confident	68.4	Low	39 Å²	39	68.5 Å²	68.5	21%	0.209	34%	0.34	C	S	.	.			trans	-100.4	90.9	170.7	-173.6	-20.4	0	0	0	108.8	Q35 R36 D37	D33-Q35 VanDerWaalsContact C-N 3.29Å; D33-Q35 PolarHBondContact O-N 2.84Å; D33-Q35 PolarHBondContact OD1-N 3.28Å; D33-R36 HydrophobicContact CB-CB 3.95Å; D33-R36 PolarHBondContact O-N 3.34Å; D33-R36 WeakPolarHBondContact OD1-CB 3.27Å; D33-R36 PolarHBondContact OD1-N 3.41Å; D33-R36 WeakPolarHBondContact OD2-CB 3.28Å; D33-D37 WeakPolarHBondContact O-CB 3.46Å; D33-D37 PolarHBondContact O-N 3Å
34	W	78.4	Confident	70.9	Confident	22 Å²	22	67.4 Å²	67.4	8%	0.083	33%	0.329	C	S	.	.	H	α-helix	trans	-58.7	-42.1	-177.1	-72.7	82.7	0	0	0	111.6	D37 L38 A248 R251 Y283	W34-D37 PolarHBondContact O-N 3.45Å; W34-L38 VanDerWaalsContact O-CB 3.28Å; W34-L38 WeakPolarHBondContact O-CB 3.22Å; W34-L38 WeakPolarHBondContact O-CD1 3.34Å; W34-L38 WeakPolarHBondContact O-CG 3.48Å; W34-L38 PolarHBondContact O-N 3.12Å; W34-A248 HydrophobicContact CD2-CB 4.48Å; W34-A248 HydrophobicContact CE3-CB 3.78Å; W34-A248 HydrophobicContact CZ3-CB 4.18Å; W34-R251 HydrophobicContact CH2-CB 4.15Å; W34-R251 HydrophobicContact CH2-CG 4.38Å; W34-R251 VanDerWaalsContact CZ2-CD 3.46Å; W34-Y283 HydrophobicContact CZ3-CD1 4.19Å
35	Q	78.8	Confident	73.6	Confident	75 Å²	75	69.2 Å²	69.2	35%	0.35	32%	0.322	S	S	.	.	H	α-helix	trans	-63.5	-46.7	-178.9	-178.7	178.7	-16.1	0	0	111.4	D33 T39	D33-Q35 VanDerWaalsContact C-N 3.29Å; D33-Q35 PolarHBondContact O-N 2.84Å; D33-Q35 PolarHBondContact OD1-N 3.28Å; Q35-T39 VanDerWaalsContact O-CB 3.3Å; Q35-T39 WeakPolarHBondContact O-CB 3.46Å; Q35-T39 PolarHBondContact O-N 3.24Å; Q35-T39 PolarHBondContact O-OG1 2.88Å
36	R	78.4	Confident	75.6	Confident	90 Å²	90	71.9 Å²	71.9	34%	0.34	33%	0.332	S	S	.	.	H	α-helix	trans	-63.5	-45.6	179	-179	178.6	173.4	158.2	5.7	111.7	D33 T39 R40 T643 D646	D33-R36 HydrophobicContact CB-CB 3.95Å; D33-R36 PolarHBondContact O-N 3.34Å; D33-R36 WeakPolarHBondContact OD1-CB 3.27Å; D33-R36 PolarHBondContact OD1-N 3.41Å; D33-R36 WeakPolarHBondContact OD2-CB 3.28Å; R36-T39 PolarHBondContact O-N 2.72Å; R36-R40 WeakPolarHBondContact O-CB 3Å; R36-R40 PolarHBondContact O-N 3.36Å; R36-T643 VanDerWaalsContact NH1-CG2 3.28Å; R36-T643 PolarHBondContact NH1-OG1 3.17Å; R36-D646 IonicContact CZ-OD1 3.45Å; R36-D646 IonicContact CZ-OD2 2.65Å; R36-D646 IonicContact NH1-OD1 2.6Å; R36-D646 IonicContact NH1-OD2 2.8Å; R36-D646 PolarHBondContact NH1-OD2 3.48Å; R36-D646 IonicContact NH2-OD1 2.69Å; R36-D646 PolarHBondContact NH2-OD1 2.94Å; R36-D646 IonicContact NH2-OD2 3.01Å; R36-D646 PolarHBondContact NH2-OD2 3.06Å
37	D	82	Confident	77.4	Confident	22 Å²	22	77.6 Å²	77.6	12%	0.118	36%	0.357	C	S	.	.	H	α-helix	trans	-67	-39.7	-178.9	-92.2	-3.7	0	0	0	112.2	D33 W34 R40 D41 N246 E247 A248	D33-D37 WeakPolarHBondContact O-CB 3.46Å; D33-D37 PolarHBondContact O-N 3Å; W34-D37 PolarHBondContact O-N 3.45Å; D37-R40 PolarHBondContact O-N 3.46Å; D37-D41 PolarHBondContact O-N 2.72Å; D37-N246 WeakPolarHBondContact CB-OD1 3.3Å; D37-N246 PolarHBondContact O-ND2 3.45Å; D37-E247 PolarHBondContact OD2-N 3.11Å; D37-E247 VanDerWaalsContact OD2-N 3.13Å; D37-A248 HydrophobicContact CB-CB 3.78Å; D37-A248 PolarHBondContact OD2-N 2.9Å
38	L	83.7	Confident	79.4	Confident	42 Å²	42	73.9 Å²	73.9	22%	0.22	34%	0.337	C	S	.	.	H	α-helix	trans	-65.9	-39.8	172.6	-72.5	168.7	0	0	0	111.9	W34 D41 R42	W34-L38 VanDerWaalsContact O-CB 3.28Å; W34-L38 WeakPolarHBondContact O-CB 3.22Å; W34-L38 WeakPolarHBondContact O-CD1 3.34Å; W34-L38 WeakPolarHBondContact O-CG 3.48Å; W34-L38 PolarHBondContact O-N 3.12Å; L38-D41 PolarHBondContact O-N 2.71Å; L38-R42 WeakPolarHBondContact O-CG 3.26Å; L38-R42 PolarHBondContact O-N 2.8Å
39	T	83.3	Confident	81.1	Confident	61 Å²	61	73.1 Å²	73.1	37%	0.374	33%	0.327	S	S	.	.	H	α-helix	trans	-65.3	-43.1	177.3	-58.7	0	0	0	0	111.1	Q35 R36 D41 R42 L43	Q35-T39 VanDerWaalsContact O-CB 3.3Å; Q35-T39 WeakPolarHBondContact O-CB 3.46Å; Q35-T39 PolarHBondContact O-N 3.24Å; Q35-T39 PolarHBondContact O-OG1 2.88Å; R36-T39 PolarHBondContact O-N 2.72Å; T39-D41 VanDerWaalsContact C-N 3.3Å; T39-D41 PolarHBondContact O-N 3.27Å; T39-R42 PolarHBondContact O-N 3.5Å; T39-L43 HydrophobicContact CG2-CD1 4.29Å; T39-L43 WeakPolarHBondContact O-CG 3.47Å; T39-L43 PolarHBondContact O-N 3.28Å
40	R	82.5	Confident	82.6	Confident	131 Å²	131	79.2 Å²	79.2	49%	0.494	35%	0.354	S	S	.	.	H	α-helix	trans	-59.4	-41.1	174.8	-175.5	-179.8	175.4	-163	-3.3	111.7	R36 D37 R44 K245	R36-R40 WeakPolarHBondContact O-CB 3Å; R36-R40 PolarHBondContact O-N 3.36Å; D37-R40 PolarHBondContact O-N 3.46Å; R40-R44 WeakPolarHBondContact O-CB 3.27Å; R40-R44 PolarHBondContact O-N 3.31Å; R40-K245 PolarHBondContact NH1-O 2.82Å; R40-K245 VanDerWaalsContact NH1-O 3.13Å
41	D	85.7	Confident	83.6	Confident	24 Å²	24	80.3 Å²	80.3	13%	0.128	36%	0.358	C	S	.	.	H	α-helix	trans	-65.2	-44.8	175.3	-169.4	55.2	0	0	0	112.1	D37 L38 T39 L43 R44 H45 K249	D37-D41 PolarHBondContact O-N 2.72Å; L38-D41 PolarHBondContact O-N 2.71Å; T39-D41 VanDerWaalsContact C-N 3.3Å; T39-D41 PolarHBondContact O-N 3.27Å; D41-L43 VanDerWaalsContact C-N 3.35Å; D41-L43 PolarHBondContact O-N 3.36Å; D41-R44 PolarHBondContact O-N 3.15Å; D41-H45 WeakPolarHBondContact O-CB 3.28Å; D41-H45 PolarHBondContact O-N 2.92Å; D41-K249 WeakPolarHBondContact OD2-CE 3.24Å; D41-K249 IonicContact OD2-NZ 3.32Å
42	R	87.1	Confident	84.1	Confident	169 Å²	169	80.2 Å²	80.2	64%	0.638	36%	0.358	S	S	*	.	H	α-helix	trans	-59.2	-44.3	176.7	-71.3	174.7	-171.5	-179.8	3.3	111.9	L38 T39 H45 K46	L38-R42 WeakPolarHBondContact O-CG 3.26Å; L38-R42 PolarHBondContact O-N 2.8Å; T39-R42 PolarHBondContact O-N 3.5Å; R42-H45 PolarHBondContact O-N 3.3Å; R42-K46 WeakPolarHBondContact O-CG 3.4Å; R42-K46 PolarHBondContact O-N 3.25Å
43	L	86.8	Confident	84.5	Confident	109 Å²	109	87.3 Å²	87.3	57%	0.571	39%	0.39	S	S	*	.	H	α-helix	trans	-65.2	-44.5	177.2	-70.7	173.9	0	0	0	111.8	T39 D41 H45 K46 F47	T39-L43 HydrophobicContact CG2-CD1 4.29Å; T39-L43 WeakPolarHBondContact O-CG 3.47Å; T39-L43 PolarHBondContact O-N 3.28Å; D41-L43 VanDerWaalsContact C-N 3.35Å; D41-L43 PolarHBondContact O-N 3.36Å; L43-H45 VanDerWaalsContact C-N 3.32Å; L43-H45 PolarHBondContact O-N 3.21Å; L43-K46 PolarHBondContact O-N 2.72Å; L43-F47 PolarHBondContact O-N 2.82Å
44	R	87.3	Confident	85.1	Confident	84 Å²	84	91.5 Å²	91.5	32%	0.317	41%	0.409	S	S	.	.	H	α-helix	trans	-57.5	-45.5	174.3	178.8	-177.8	176.9	-98.6	-5.5	111.2	R40 D41 F47 I48 D65 K242	R40-R44 WeakPolarHBondContact O-CB 3.27Å; R40-R44 PolarHBondContact O-N 3.31Å; D41-R44 PolarHBondContact O-N 3.15Å; R44-F47 PolarHBondContact O-N 2.75Å; R44-I48 HydrophobicContact CG-CD1 3.98Å; R44-I48 WeakPolarHBondContact O-CG1 3.42Å; R44-I48 PolarHBondContact O-N 3.4Å; R44-D65 IonicContact CZ-OD1 3.13Å; R44-D65 IonicContact NH1-OD1 3.13Å; R44-D65 PolarHBondContact NH1-OD1 2.78Å; R44-D65 IonicContact NH1-OD2 2.93Å; R44-D65 IonicContact NH2-OD1 3.09Å; R44-D65 PolarHBondContact NH2-OD1 3.17Å; R44-K242 VanDerWaalsContact NH1-CG 3.34Å
45	H	86.8	Confident	85.5	Confident	96 Å²	96	93.4 Å²	93.4	44%	0.444	43%	0.425	S	S	.	.	H	α-helix	trans	-64.2	-43.2	179.3	-174.2	66.7	0	0	0	112.2	D41 R42 L43 F47 I48 K49	D41-H45 WeakPolarHBondContact O-CB 3.28Å; D41-H45 PolarHBondContact O-N 2.92Å; R42-H45 PolarHBondContact O-N 3.3Å; L43-H45 VanDerWaalsContact C-N 3.32Å; L43-H45 PolarHBondContact O-N 3.21Å; H45-F47 VanDerWaalsContact C-N 3.32Å; H45-F47 PolarHBondContact O-N 2.86Å; H45-I48 PolarHBondContact O-N 3.33Å; H45-K49 WeakPolarHBondContact O-CB 3.38Å; H45-K49 PolarHBondContact O-N 2.85Å
46	K	89	Confident	86	Confident	149 Å²	149	95.2 Å²	95.2	65%	0.648	44%	0.441	S	S	*	.	H	α-helix	trans	-59.7	-42	173.7	-74.6	-178.4	179.5	-174.3	0	112	R42 L43 K49 K50	R42-K46 WeakPolarHBondContact O-CG 3.4Å; R42-K46 PolarHBondContact O-N 3.25Å; L43-K46 PolarHBondContact O-N 2.72Å; K46-K49 PolarHBondContact O-N 3.01Å; K46-K50 WeakPolarHBondContact O-CB 3.45Å; K46-K50 PolarHBondContact O-N 3Å
47	F	88	Confident	86.5	Confident	138 Å²	138	95.7 Å²	95.7	61%	0.605	46%	0.457	S	S	*	.	H	α-helix	trans	-63.2	-45.9	177.8	-175.6	-93.6	0	0	0	112	L43 R44 H45 K50 K51	L43-F47 PolarHBondContact O-N 2.82Å; R44-F47 PolarHBondContact O-N 2.75Å; H45-F47 VanDerWaalsContact C-N 3.32Å; H45-F47 PolarHBondContact O-N 2.86Å; F47-K50 PolarHBondContact O-N 2.85Å; F47-K51 HydrophobicContact CE1-CD 4.36Å; F47-K51 WeakPolarHBondContact O-CB 3.39Å; F47-K51 PolarHBondContact O-N 2.91Å
48	I	87.3	Confident	86.8	Confident	29 Å²	29	96.3 Å²	96.3	15%	0.149	46%	0.461	C	S	.	.	H	α-helix	trans	-63.7	-45	177.6	-66.7	168.3	0	0	0	110.9	R44 H45 K50 K51 S52	R44-I48 HydrophobicContact CG-CD1 3.98Å; R44-I48 WeakPolarHBondContact O-CG1 3.42Å; R44-I48 PolarHBondContact O-N 3.4Å; H45-I48 PolarHBondContact O-N 3.33Å; I48-K50 VanDerWaalsContact C-N 3.32Å; I48-K50 PolarHBondContact O-N 3.46Å; I48-K51 PolarHBondContact O-N 2.9Å; I48-S52 PolarHBondContact O-N 3.42Å
49	K	87.2	Confident	87	Confident	127 Å²	127	96.2 Å²	96.2	55%	0.552	47%	0.466	S	S	*	.	H	α-helix	trans	-64.6	-35	178	-172.6	176.4	-179.7	179.8	0	112.5	H45 K46 S52 H53	H45-K49 WeakPolarHBondContact O-CB 3.38Å; H45-K49 PolarHBondContact O-N 2.85Å; K46-K49 PolarHBondContact O-N 3.01Å; K49-S52 PolarHBondContact O-OG 3.24Å; K49-H53 PolarHBondContact O-CD2 3.08Å; K49-H53 VanDerWaalsContact O-CD2 3.26Å
50	K	89.6	Confident	87.2	Confident	156 Å²	156	97.8 Å²	97.8	68%	0.678	47%	0.471	S	S	*	.	H	α-helix	trans	-65.1	-46.5	173.2	-173.6	178.9	177.6	-177.2	0	110.5	K46 F47 I48 S52 H53	K46-K50 WeakPolarHBondContact O-CB 3.45Å; K46-K50 PolarHBondContact O-N 3Å; F47-K50 PolarHBondContact O-N 2.85Å; I48-K50 VanDerWaalsContact C-N 3.32Å; I48-K50 PolarHBondContact O-N 3.46Å; K50-S52 VanDerWaalsContact C-N 3.32Å; K50-S52 PolarHBondContact O-N 3.17Å; K50-H53 PolarHBondContact O-N 2.84Å
51	K	87.3	Confident	87.4	Confident	88 Å²	88	94.7 Å²	94.7	38%	0.383	47%	0.47	S	S	.	.	H	α-helix	trans	-69.7	-25.9	-178.3	-165.5	171.8	-176.6	178.3	0	113.4	F47 I48 H53 E54 N58	F47-K51 HydrophobicContact CE1-CD 4.36Å; F47-K51 WeakPolarHBondContact O-CB 3.39Å; F47-K51 PolarHBondContact O-N 2.91Å; I48-K51 PolarHBondContact O-N 2.9Å; K51-H53 PolarHBondContact O-N 3.26Å; K51-E54 WeakPolarHBondContact O-CB 3.25Å; K51-E54 PolarHBondContact O-N 3.32Å; K51-N58 HydrophobicContact CG-CB 4.2Å; K51-N58 WeakPolarHBondContact O-CB 3.16Å; K51-N58 PolarHBondContact O-ND2 3.09Å
52	S	84.7	Confident	87.4	Confident	22 Å²	22	94.9 Å²	94.9	15%	0.154	47%	0.473	C	S	.	.	H	α-helix	trans	-63.2	-24.6	179.2	63.7	0	0	0	0	113.5	I48 K49 K50 E54	I48-S52 PolarHBondContact O-N 3.42Å; K49-S52 PolarHBondContact O-OG 3.24Å; K50-S52 VanDerWaalsContact C-N 3.32Å; K50-S52 PolarHBondContact O-N 3.17Å; S52-E54 VanDerWaalsContact C-N 3.29Å
53	H	85.6	Confident	87.5	Confident	161 Å²	161	91.9 Å²	91.9	75%	0.745	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-13.4	175.7	-71.4	-81.1	0	0	0	113.5	K49 K50 K51	K49-H53 PolarHBondContact O-CD2 3.08Å; K49-H53 VanDerWaalsContact O-CD2 3.26Å; K50-H53 PolarHBondContact O-N 2.84Å; K51-H53 PolarHBondContact O-N 3.26Å
54	E	87.8	Confident	87.5	Confident	126 Å²	126	91.4 Å²	91.4	59%	0.589	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-28	-175	-62.4	174.7	-179.9	0	0	112.9	K51 S52	K51-E54 WeakPolarHBondContact O-CB 3.25Å; K51-E54 PolarHBondContact O-N 3.32Å; S52-E54 VanDerWaalsContact C-N 3.29Å
55	S	86.3	Confident	87.6	Confident	62 Å²	62	88.3 Å²	88.3	43%	0.434	46%	0.459	S	S	.	.			trans	-160	149.3	-176.5	-52.4	0	0	0	0	112.6	C57 N58 A59	S55-C57 VanDerWaalsContact C-N 3.28Å; S55-C57 PolarHBondContact O-N 2.87Å; S55-N58 WeakPolarHBondContact O-CB 3.35Å; S55-N58 PolarHBondContact O-N 3.37Å; S55-A59 PolarHBondContact O-N 2.83Å
56	V	88.9	Confident	87.5	Confident	114 Å²	114	86.8 Å²	86.8	69%	0.691	46%	0.463	S	S	*	.	H	α-helix	trans	-56.7	-40.5	174.9	180	0	0	0	0	111.8	N58 A59 I60	V56-N58 VanDerWaalsContact C-N 3.3Å; V56-N58 PolarHBondContact O-N 2.88Å; V56-A59 WeakPolarHBondContact O-CB 3.31Å; V56-A59 PolarHBondContact O-N 3.26Å; V56-A59 VanDerWaalsContact O-N 3.13Å; V56-I60 HydrophobicContact CG1-CD1 4.16Å; V56-I60 WeakPolarHBondContact O-CG1 3.08Å; V56-I60 PolarHBondContact O-N 3.42Å
57	C	89.8	Confident	87.6	Confident	99 Å²	99	80.8 Å²	80.8	67%	0.669	44%	0.444	S	S	*	.	H	α-helix	trans	-60.5	-38.4	175.3	-70.2	0	0	0	0	112.6	S55 I60 S61	S55-C57 VanDerWaalsContact C-N 3.28Å; S55-C57 PolarHBondContact O-N 2.87Å; C57-I60 PolarHBondContact O-N 3.09Å; C57-S61 PolarHBondContact O-N 2.97Å
58	N	87.4	Confident	87.8	Confident	36 Å²	36	74.5 Å²	74.5	19%	0.193	42%	0.418	C	S	.	.	H	α-helix	trans	-72.1	-33.4	176.6	-64.3	-36	0	0	0	111.3	K51 S55 V56 S61 S62	K51-N58 HydrophobicContact CG-CB 4.2Å; K51-N58 WeakPolarHBondContact O-CB 3.16Å; K51-N58 PolarHBondContact O-ND2 3.09Å; S55-N58 WeakPolarHBondContact O-CB 3.35Å; S55-N58 PolarHBondContact O-N 3.37Å; V56-N58 VanDerWaalsContact C-N 3.3Å; V56-N58 PolarHBondContact O-N 2.88Å; N58-S61 PolarHBondContact O-N 2.85Å; N58-S62 WeakPolarHBondContact O-CB 3.41Å; N58-S62 PolarHBondContact O-N 2.89Å
59	A	87.9	Confident	87.9	Confident	39 Å²	39	73.1 Å²	73.1	32%	0.322	41%	0.41	S	S	.	.	H	α-helix	trans	-63	-45.9	171.1	0	0	0	0	0	111.4	S55 V56 S61 S62 V63	S55-A59 PolarHBondContact O-N 2.83Å; V56-A59 WeakPolarHBondContact O-CB 3.31Å; V56-A59 PolarHBondContact O-N 3.26Å; V56-A59 VanDerWaalsContact O-N 3.13Å; A59-S61 PolarHBondContact O-N 3.12Å; A59-S62 WeakPolarHBondContact O-CB 3.45Å; A59-S62 PolarHBondContact O-N 3.13Å; A59-S62 VanDerWaalsContact O-N 3.13Å; A59-V63 WeakPolarHBondContact O-CG2 3.47Å; A59-V63 PolarHBondContact O-N 3.1Å
60	I	88.9	Confident	88.3	Confident	94 Å²	94	72.4 Å²	72.4	48%	0.482	40%	0.404	S	S	.	.	H	α-helix	trans	-60.1	-46.4	174.2	-65.8	167.8	0	0	0	110.5	V56 C57 S62 V63 I64	V56-I60 HydrophobicContact CG1-CD1 4.16Å; V56-I60 WeakPolarHBondContact O-CG1 3.08Å; V56-I60 PolarHBondContact O-N 3.42Å; C57-I60 PolarHBondContact O-N 3.09Å; I60-S62 PolarHBondContact O-N 2.89Å; I60-V63 PolarHBondContact O-N 3.36Å; I60-V63 VanDerWaalsContact O-N 3.1Å; I60-I64 HydrophobicContact CG2-CD1 3.78Å; I60-I64 HydrophobicContact CG2-CG1 4.31Å; I60-I64 WeakPolarHBondContact O-CG1 3.39Å; I60-I64 PolarHBondContact O-N 3.03Å
61	S	86	Confident	88.5	Confident	67 Å²	67	68.3 Å²	68.3	47%	0.469	39%	0.389	S	S	.	.	H	α-helix	trans	-60.1	-33.7	176.1	-178.3	0	0	0	0	112.7	C57 N58 A59 D65	C57-S61 PolarHBondContact O-N 2.97Å; N58-S61 PolarHBondContact O-N 2.85Å; A59-S61 PolarHBondContact O-N 3.12Å; S61-D65 WeakPolarHBondContact O-CB 3.24Å; S61-D65 PolarHBondContact O-N 2.6Å
62	S	86.5	Confident	88.9	Confident	28 Å²	28	64.1 Å²	64.1	20%	0.196	37%	0.371	C	S	.	.	H	α-helix	trans	-68.9	-40.8	174.7	-179.1	0	0	0	0	111.8	N58 A59 I60 D65 A66	N58-S62 WeakPolarHBondContact O-CB 3.41Å; N58-S62 PolarHBondContact O-N 2.89Å; A59-S62 WeakPolarHBondContact O-CB 3.45Å; A59-S62 PolarHBondContact O-N 3.13Å; A59-S62 VanDerWaalsContact O-N 3.13Å; I60-S62 PolarHBondContact O-N 2.89Å; S62-D65 PolarHBondContact O-N 2.84Å; S62-A66 WeakPolarHBondContact O-CB 3.43Å; S62-A66 PolarHBondContact O-N 3.45Å
63	V	89.2	Confident	89.4	Confident	105 Å²	105	63.1 Å²	63.1	64%	0.636	36%	0.364	S	S	*	.	H	α-helix	trans	-64.5	-43.7	174.6	174.7	0	0	0	0	110.8	A59 I60 D65 A66 G67	A59-V63 WeakPolarHBondContact O-CG2 3.47Å; A59-V63 PolarHBondContact O-N 3.1Å; I60-V63 PolarHBondContact O-N 3.36Å; I60-V63 VanDerWaalsContact O-N 3.1Å; V63-D65 PolarHBondContact O-N 3.29Å; V63-A66 WeakPolarHBondContact O-CB 3.46Å; V63-A66 PolarHBondContact O-N 3.22Å; V63-G67 PolarHBondContact O-N 3.05Å
64	I	87.4	Confident	90	Very high	100 Å²	100	58.3 Å²	58.3	51%	0.513	34%	0.343	S	S	.	.	H	α-helix	trans	-62.7	-42.1	175.2	-66.2	170.5	0	0	0	110.7	I60 A66 G67 S68	I60-I64 HydrophobicContact CG2-CD1 3.78Å; I60-I64 HydrophobicContact CG2-CG1 4.31Å; I60-I64 WeakPolarHBondContact O-CG1 3.39Å; I60-I64 PolarHBondContact O-N 3.03Å; I64-A66 VanDerWaalsContact C-N 3.33Å; I64-A66 PolarHBondContact O-N 2.94Å; I64-G67 CarbonylContact O-C 3.21Å; I64-G67 PolarHBondContact O-N 3.5Å; I64-S68 WeakPolarHBondContact O-CA 3.43Å; I64-S68 WeakPolarHBondContact O-CB 3.39Å; I64-S68 PolarHBondContact O-N 3Å
65	D	87.6	Confident	90.4	Very high	18 Å²	18	56.9 Å²	56.9	10%	0.096	34%	0.335	C	S	.	.	H	α-helix	trans	-63.8	-38.9	175.3	-172.7	85.3	0	0	0	111.8	R44 S61 S62 V63 S68 K242	R44-D65 IonicContact CZ-OD1 3.13Å; R44-D65 IonicContact NH1-OD1 3.13Å; R44-D65 PolarHBondContact NH1-OD1 2.78Å; R44-D65 IonicContact NH1-OD2 2.93Å; R44-D65 IonicContact NH2-OD1 3.09Å; R44-D65 PolarHBondContact NH2-OD1 3.17Å; S61-D65 WeakPolarHBondContact O-CB 3.24Å; S61-D65 PolarHBondContact O-N 2.6Å; S62-D65 PolarHBondContact O-N 2.84Å; V63-D65 PolarHBondContact O-N 3.29Å; D65-S68 PolarHBondContact O-N 2.87Å; D65-S68 PolarHBondContact O-OG 3.21Å; D65-K242 PolarHBondContact O-NZ 2.86Å; D65-K242 IonicContact OD2-NZ 2.75Å; D65-K242 PolarHBondContact OD2-NZ 3.2Å
66	A	86.3	Confident	91	Very high	64 Å²	64	53.9 Å²	53.9	53%	0.529	31%	0.314	S	S	.	.	H	α-helix	trans	-64.1	-42.6	175	0	0	0	0	0	112	S62 V63 I64	S62-A66 WeakPolarHBondContact O-CB 3.43Å; S62-A66 PolarHBondContact O-N 3.45Å; V63-A66 WeakPolarHBondContact O-CB 3.46Å; V63-A66 PolarHBondContact O-N 3.22Å; I64-A66 VanDerWaalsContact C-N 3.33Å; I64-A66 PolarHBondContact O-N 2.94Å
67	G	90	Very high	91.4	Very high	24 Å²	24	48.5 Å²	48.5	25%	0.247	28%	0.282	C	S	.	.	H	α-helix	trans	-77.8	-19.3	178.3	0	0	0	0	0	115	V63 I64 G69 W70 I71	V63-G67 PolarHBondContact O-N 3.05Å; I64-G67 CarbonylContact O-C 3.21Å; I64-G67 PolarHBondContact O-N 3.5Å; G67-G69 PolarHBondContact O-N 2.7Å; G67-W70 WeakPolarHBondContact O-CB 3.48Å; G67-W70 PolarHBondContact O-N 3.47Å; G67-I71 PolarHBondContact O-N 3.08Å
68	S	91.4	Very high	91.7	Very high	6 Å²	6	47 Å²	47	4%	0.042	27%	0.266	C	S	.	.	H	α-helix	trans	-54.6	-32.6	-174.4	62.2	0	0	0	0	114	I64 D65 C72 K242	I64-S68 WeakPolarHBondContact O-CA 3.43Å; I64-S68 WeakPolarHBondContact O-CB 3.39Å; I64-S68 PolarHBondContact O-N 3Å; D65-S68 PolarHBondContact O-N 2.87Å; D65-S68 PolarHBondContact O-OG 3.21Å; S68-C72 WeakPolarHBondContact O-CB 3.46Å; S68-C72 PolarHBondContact O-N 3.16Å; S68-K242 WeakPolarHBondContact OG-CD 3.19Å
69	G	90.9	Very high	92.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-64.2	-45.3	175.6	0	0	0	0	0	113	G67 C72 V73 Y243	G67-G69 PolarHBondContact O-N 2.7Å; G69-C72 PolarHBondContact O-N 3.3Å; G69-V73 WeakPolarHBondContact O-CG2 3.42Å; G69-V73 PolarHBondContact O-N 3.41Å; G69-V73 VanDerWaalsContact O-N 3.08Å; G69-Y243 WeakPolarHBondContact CA-OH 3.41Å
70	W	94.5	Very high	92.7	Very high	112 Å²	112	44.7 Å²	44.7	42%	0.424	25%	0.252	S	S	.	.	H	α-helix	trans	-67.5	-42.4	178.4	-68.6	100.2	0	0	0	111.8	G67 C72 V73 L74 W290 F294	G67-W70 WeakPolarHBondContact O-CB 3.48Å; G67-W70 PolarHBondContact O-N 3.47Å; W70-C72 VanDerWaalsContact C-N 3.35Å; W70-V73 VanDerWaalsContact O-CG2 3.24Å; W70-V73 WeakPolarHBondContact O-CG2 3.29Å; W70-V73 PolarHBondContact O-N 2.66Å; W70-L74 WeakPolarHBondContact O-CB 3.32Å; W70-L74 PolarHBondContact O-N 3.37Å; W70-W290 HydrophobicContact CH2-CB 4.33Å; W70-F294 HydrophobicContact CE3-CB 4.19Å; W70-F294 AromaticContact CE3-CD1 3.83Å; W70-F294 HydrophobicContact CE3-CD1 3.83Å; W70-F294 HydrophobicContact CE3-CD2 4.42Å; W70-F294 HydrophobicContact CE3-CE1 4.29Å; W70-F294 AromaticContact CE3-CG 3.89Å; W70-F294 HydrophobicContact CE3-CG 3.89Å; W70-F294 HydrophobicContact CZ3-CB 3.59Å; W70-F294 HydrophobicContact CZ3-CD1 4.09Å; W70-F294 HydrophobicContact CZ3-CD2 4.11Å; W70-F294 AromaticContact CZ3-CG 3.67Å; W70-F294 HydrophobicContact CZ3-CG 3.67Å
71	I	94.7	Very high	93	Very high	70 Å²	70	40.2 Å²	40.2	36%	0.359	23%	0.229	S	C	.	.	H	α-helix	trans	-64	-42.7	176.4	-61.4	170.9	0	0	0	110.4	G67 L74 F75 F240	G67-I71 PolarHBondContact O-N 3.08Å; I71-L74 WeakPolarHBondContact O-CB 3.33Å; I71-L74 PolarHBondContact O-N 3.22Å; I71-F75 HydrophobicContact CG2-CD2 3.82Å; I71-F75 HydrophobicContact CG2-CE2 3.44Å; I71-F75 VanDerWaalsContact CG2-CE2 3.44Å; I71-F75 HydrophobicContact CG2-CZ 4.48Å; I71-F75 WeakPolarHBondContact O-CD2 3.15Å; I71-F75 PolarHBondContact O-N 2.67Å; I71-F75 VanDerWaalsContact O-N 3.16Å; I71-F240 HydrophobicContact CB-CZ 4.38Å; I71-F240 HydrophobicContact CG2-CE1 4.27Å; I71-F240 HydrophobicContact CG2-CZ 3.81Å
72	C	95.3	Very high	93.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-60.1	-50.4	176.8	-173.4	0	0	0	0	111.3	S68 G69 W70 L74 F75 V76 F240 I253	S68-C72 WeakPolarHBondContact O-CB 3.46Å; S68-C72 PolarHBondContact O-N 3.16Å; G69-C72 PolarHBondContact O-N 3.3Å; W70-C72 VanDerWaalsContact C-N 3.35Å; C72-L74 VanDerWaalsContact C-N 3.31Å; C72-L74 PolarHBondContact O-N 3.04Å; C72-F75 PolarHBondContact O-N 3.14Å; C72-V76 VanDerWaalsContact O-CG2 3.3Å; C72-V76 WeakPolarHBondContact O-CG2 2.98Å; C72-V76 PolarHBondContact O-N 3.06Å; C72-F240 HydrophobicContact CB-CD2 3.69Å; C72-F240 HydrophobicContact CB-CE2 3.71Å; C72-F240 HydrophobicContact CB-CG 4.44Å; C72-F240 HydrophobicContact CB-CZ 4.46Å; C72-I253 HydrophobicContact CB-CD1 4.39Å
73	V	96.1	Very high	93.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-68.1	-28.5	179.5	-64.5	0	0	0	0	113.4	G69 W70 V76 G77 I253 A256 R291 F294 C295	G69-V73 WeakPolarHBondContact O-CG2 3.42Å; G69-V73 PolarHBondContact O-N 3.41Å; G69-V73 VanDerWaalsContact O-N 3.08Å; W70-V73 VanDerWaalsContact O-CG2 3.24Å; W70-V73 WeakPolarHBondContact O-CG2 3.29Å; W70-V73 PolarHBondContact O-N 2.66Å; V73-V76 PolarHBondContact O-N 3.27Å; V73-G77 PolarHBondContact O-N 3.27Å; V73-I253 HydrophobicContact CG1-CD1 3.93Å; V73-A256 HydrophobicContact CG1-CB 3.98Å; V73-R291 HydrophobicContact CG1-CB 4.29Å; V73-R291 HydrophobicContact CG2-CB 4.49Å; V73-F294 HydrophobicContact CG2-CD1 3.8Å; V73-F294 HydrophobicContact CG2-CE1 4.35Å; V73-C295 HydrophobicContact CB-CB 3.96Å; V73-C295 HydrophobicContact CG1-CB 4.46Å; V73-C295 PolarHBondContact O-SG 3.3Å
74	L	97.1	Very high	94.2	Very high	61 Å²	61	34.7 Å²	34.7	32%	0.319	19%	0.193	S	C	.	.	H	α-helix	trans	-59.7	-52	171.5	178.8	67.9	0	0	0	110.8	W70 I71 C72 V76 G77 I78 F294 I298	W70-L74 WeakPolarHBondContact O-CB 3.32Å; W70-L74 PolarHBondContact O-N 3.37Å; I71-L74 WeakPolarHBondContact O-CB 3.33Å; I71-L74 PolarHBondContact O-N 3.22Å; C72-L74 VanDerWaalsContact C-N 3.31Å; C72-L74 PolarHBondContact O-N 3.04Å; L74-V76 VanDerWaalsContact C-N 3.34Å; L74-V76 PolarHBondContact O-N 2.93Å; L74-G77 PolarHBondContact O-N 2.75Å; L74-I78 HydrophobicContact CD1-CD1 4.19Å; L74-I78 HydrophobicContact CG-CD1 4.09Å; L74-I78 WeakPolarHBondContact O-CG1 3.17Å; L74-I78 PolarHBondContact O-N 2.66Å; L74-F294 HydrophobicContact CB-CE1 4.1Å; L74-F294 HydrophobicContact CD1-CE1 4.17Å; L74-F294 HydrophobicContact CD1-CZ 4.1Å; L74-I298 HydrophobicContact CD1-CD1 3.95Å; L74-I298 HydrophobicContact CD1-CG1 3.99Å; L74-I298 HydrophobicContact CD1-CG2 4.12Å
75	F	97	Very high	94.4	Very high	95 Å²	95	29.9 Å²	29.9	42%	0.417	17%	0.169	S	C	.	.	H	α-helix	trans	-64.5	-38.5	178.8	-73.4	-58.1	0	0	0	112.6	I71 C72 A79 F236 F240	I71-F75 HydrophobicContact CG2-CD2 3.82Å; I71-F75 HydrophobicContact CG2-CE2 3.44Å; I71-F75 VanDerWaalsContact CG2-CE2 3.44Å; I71-F75 HydrophobicContact CG2-CZ 4.48Å; I71-F75 WeakPolarHBondContact O-CD2 3.15Å; I71-F75 PolarHBondContact O-N 2.67Å; I71-F75 VanDerWaalsContact O-N 3.16Å; C72-F75 PolarHBondContact O-N 3.14Å; F75-A79 VanDerWaalsContact O-CB 3.32Å; F75-A79 WeakPolarHBondContact O-CB 3.46Å; F75-A79 PolarHBondContact O-N 2.92Å; F75-F236 HydrophobicContact CB-CD1 3.74Å; F75-F236 HydrophobicContact CB-CE1 3.66Å; F75-F236 HydrophobicContact CB-CG 4.36Å; F75-F236 HydrophobicContact CB-CZ 4.18Å; F75-F236 HydrophobicContact CG-CD1 4.46Å; F75-F236 HydrophobicContact CG-CE1 4.21Å; F75-F240 HydrophobicContact CD2-CZ 4.48Å
76	V	97.4	Very high	94.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-62.4	-46.6	174.8	172.1	0	0	0	0	110.8	C72 V73 L74 A79 A80 I232 F236 I253 S257	C72-V76 VanDerWaalsContact O-CG2 3.3Å; C72-V76 WeakPolarHBondContact O-CG2 2.98Å; C72-V76 PolarHBondContact O-N 3.06Å; V73-V76 PolarHBondContact O-N 3.27Å; L74-V76 VanDerWaalsContact C-N 3.34Å; L74-V76 PolarHBondContact O-N 2.93Å; V76-A79 PolarHBondContact O-N 2.99Å; V76-A80 WeakPolarHBondContact O-CB 3.46Å; V76-A80 PolarHBondContact O-N 3.23Å; V76-I232 HydrophobicContact CG1-CG2 4.27Å; V76-F236 HydrophobicContact CG2-CB 3.76Å; V76-F236 HydrophobicContact CG2-CD2 4.09Å; V76-F236 HydrophobicContact CG2-CG 4.14Å; V76-I253 HydrophobicContact CG2-CG2 4.48Å; V76-S257 WeakPolarHBondContact CG1-OG 3.32Å
77	G	97.4	Very high	95.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60.1	-46.3	178.3	0	0	0	0	0	112.2	V73 L74 A80 G81 A299	V73-G77 PolarHBondContact O-N 3.27Å; L74-G77 PolarHBondContact O-N 2.75Å; G77-A80 PolarHBondContact O-N 2.85Å; G77-G81 PolarHBondContact O-N 2.77Å; G77-A299 VanDerWaalsContact O-CA 3.29Å; G77-A299 WeakPolarHBondContact O-CA 3.45Å; G77-A299 WeakPolarHBondContact O-CB 3.43Å
78	I	97.8	Very high	95.1	Very high	67 Å²	67	30.9 Å²	30.9	34%	0.344	16%	0.158	S	C	.	.	H	α-helix	trans	-60.8	-51.2	177.2	-65.4	166.6	0	0	0	110.9	L74 A80 G81 C82 I298 V302	L74-I78 HydrophobicContact CD1-CD1 4.19Å; L74-I78 HydrophobicContact CG-CD1 4.09Å; L74-I78 WeakPolarHBondContact O-CG1 3.17Å; L74-I78 PolarHBondContact O-N 2.66Å; I78-A80 VanDerWaalsContact C-N 3.34Å; I78-A80 PolarHBondContact O-N 2.81Å; I78-G81 PolarHBondContact O-N 3.01Å; I78-C82 PolarHBondContact O-N 3.01Å; I78-C82 PolarHBondContact O-SG 3.22Å; I78-C82 VanDerWaalsContact O-SG 3.33Å; I78-I298 HydrophobicContact CG1-CG2 3.73Å; I78-V302 HydrophobicContact CG1-CG2 4.21Å
79	A	97.4	Very high	95	Very high	23 Å²	23	34.6 Å²	34.6	19%	0.19	18%	0.177	C	C	.	.	H	α-helix	trans	-64.8	-37.8	-178.5	0	0	0	0	0	112.4	F75 V76 C82 V83 I232 F236	F75-A79 VanDerWaalsContact O-CB 3.32Å; F75-A79 WeakPolarHBondContact O-CB 3.46Å; F75-A79 PolarHBondContact O-N 2.92Å; V76-A79 PolarHBondContact O-N 2.99Å; A79-C82 PolarHBondContact O-N 3.18Å; A79-V83 WeakPolarHBondContact O-CB 3.36Å; A79-V83 VanDerWaalsContact O-CG2 3.31Å; A79-V83 WeakPolarHBondContact O-CG2 3.38Å; A79-V83 PolarHBondContact O-N 2.97Å; A79-I232 HydrophobicContact CB-CD1 4.44Å; A79-I232 HydrophobicContact CB-CG2 3.63Å; A79-F236 HydrophobicContact CB-CE2 3.69Å; A79-F236 HydrophobicContact CB-CZ 4.22Å
80	A	97.1	Very high	95	Very high	4 Å²	4	35.8 Å²	35.8	3%	0.033	19%	0.186	C	C	.	.	H	α-helix	trans	-63.8	-45.6	175.7	0	0	0	0	0	111.6	V76 G77 I78 V83 A84 A229 I232 A299	V76-A80 WeakPolarHBondContact O-CB 3.46Å; V76-A80 PolarHBondContact O-N 3.23Å; G77-A80 PolarHBondContact O-N 2.85Å; I78-A80 VanDerWaalsContact C-N 3.34Å; I78-A80 PolarHBondContact O-N 2.81Å; A80-V83 PolarHBondContact O-N 3.47Å; A80-A84 WeakPolarHBondContact O-CB 3.41Å; A80-A84 PolarHBondContact O-N 3.13Å; A80-A229 HydrophobicContact CB-CB 4.33Å; A80-I232 HydrophobicContact CB-CD1 4.41Å; A80-A299 HydrophobicContact CB-CB 4.45Å
81	G	95.6	Very high	94.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-60.9	-44.7	175.1	0	0	0	0	0	113	G77 I78 G85	G77-G81 PolarHBondContact O-N 2.77Å; I78-G81 PolarHBondContact O-N 3.01Å; G81-G85 PolarHBondContact O-N 2.99Å
82	C	96.3	Very high	94.4	Very high	48 Å²	48	30.3 Å²	30.3	32%	0.324	16%	0.164	S	C	.	.	H	α-helix	trans	-61.9	-47.4	175.9	-69.5	0	0	0	0	112.6	I78 A79 G85 I86	I78-C82 PolarHBondContact O-N 3.01Å; I78-C82 PolarHBondContact O-SG 3.22Å; I78-C82 VanDerWaalsContact O-SG 3.33Å; A79-C82 PolarHBondContact O-N 3.18Å; C82-G85 PolarHBondContact O-N 2.85Å; C82-I86 VanDerWaalsContact O-CG1 3.3Å; C82-I86 WeakPolarHBondContact O-CG1 3.44Å; C82-I86 PolarHBondContact O-N 3.44Å
83	V	96.2	Very high	94.1	Very high	33 Å²	33	33.5 Å²	33.5	20%	0.2	18%	0.176	C	C	.	.	H	α-helix	trans	-65.8	-40.6	-179.1	170.2	0	0	0	0	111	A79 A80 I86 V87 L228 I232	A79-V83 WeakPolarHBondContact O-CB 3.36Å; A79-V83 VanDerWaalsContact O-CG2 3.31Å; A79-V83 WeakPolarHBondContact O-CG2 3.38Å; A79-V83 PolarHBondContact O-N 2.97Å; A80-V83 PolarHBondContact O-N 3.47Å; V83-I86 PolarHBondContact O-N 2.91Å; V83-V87 HydrophobicContact CG1-CG2 4.49Å; V83-V87 WeakPolarHBondContact O-CG2 3.34Å; V83-V87 PolarHBondContact O-N 2.89Å; V83-L228 HydrophobicContact CG1-CD1 4.27Å; V83-I232 HydrophobicContact CB-CD1 4.13Å; V83-I232 HydrophobicContact CG2-CD1 3.93Å
84	A	94.4	Very high	93.9	Very high	3 Å²	3	35 Å²	35	3%	0.025	18%	0.183	C	C	.	.	H	α-helix	trans	-61.3	-47.2	174.4	0	0	0	0	0	111.6	A80 I86 V87 D88 M225 V264 L303	A80-A84 WeakPolarHBondContact O-CB 3.41Å; A80-A84 PolarHBondContact O-N 3.13Å; A84-I86 VanDerWaalsContact C-N 3.33Å; A84-I86 PolarHBondContact O-N 3.48Å; A84-V87 PolarHBondContact O-N 3.36Å; A84-V87 VanDerWaalsContact O-N 3.16Å; A84-D88 WeakPolarHBondContact O-CB 3.38Å; A84-D88 PolarHBondContact O-N 2.97Å; A84-M225 HydrophobicContact CB-CE 4.47Å; A84-M225 HydrophobicContact CB-SD 4.1Å; A84-V264 HydrophobicContact CB-CB 3.67Å; A84-V264 HydrophobicContact CB-CG1 4.34Å; A84-V264 HydrophobicContact CB-CG2 3.61Å; A84-L303 HydrophobicContact CB-CD1 4.35Å
85	G	92.5	Very high	93.5	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-57.9	-42.1	175.8	0	0	0	0	0	113.1	G81 C82 D88 I89	G81-G85 PolarHBondContact O-N 2.99Å; C82-G85 PolarHBondContact O-N 2.85Å; G85-D88 PolarHBondContact O-N 3.1Å; G85-I89 WeakPolarHBondContact O-CB 3.45Å; G85-I89 VanDerWaalsContact O-CG1 3.27Å; G85-I89 WeakPolarHBondContact O-CG1 3.49Å; G85-I89 PolarHBondContact O-N 3.27Å
86	I	93.8	Very high	93.1	Very high	117 Å²	117	29.6 Å²	29.6	60%	0.6	16%	0.16	S	C	*	.	H	α-helix	trans	-63.7	-45.1	175.6	-68.3	164.9	0	0	0	111.2	C82 V83 A84 D88 S90	C82-I86 VanDerWaalsContact O-CG1 3.3Å; C82-I86 WeakPolarHBondContact O-CG1 3.44Å; C82-I86 PolarHBondContact O-N 3.44Å; V83-I86 PolarHBondContact O-N 2.91Å; A84-I86 VanDerWaalsContact C-N 3.33Å; A84-I86 PolarHBondContact O-N 3.48Å; I86-D88 VanDerWaalsContact C-N 3.29Å; I86-D88 PolarHBondContact O-N 2.93Å; I86-S90 VanDerWaalsContact O-CB 3.24Å; I86-S90 WeakPolarHBondContact O-CB 3.41Å; I86-S90 PolarHBondContact O-N 3.42Å; I86-S90 PolarHBondContact O-OG 2.92Å
87	V	94.1	Very high	92.7	Very high	2 Å²	2	30 Å²	30	1%	0.012	16%	0.163	C	C	.	.	H	α-helix	trans	-60.8	-41.4	177.4	168.3	0	0	0	0	110.4	V83 A84 S90 T91 L209 M225 L228	V83-V87 HydrophobicContact CG1-CG2 4.49Å; V83-V87 WeakPolarHBondContact O-CG2 3.34Å; V83-V87 PolarHBondContact O-N 2.89Å; A84-V87 PolarHBondContact O-N 3.36Å; A84-V87 VanDerWaalsContact O-N 3.16Å; V87-S90 WeakPolarHBondContact CA-OG 3.39Å; V87-S90 PolarHBondContact O-OG 2.92Å; V87-S90 VanDerWaalsContact O-OG 3.06Å; V87-T91 WeakPolarHBondContact O-CB 3.37Å; V87-T91 PolarHBondContact O-N 3.47Å; V87-T91 PolarHBondContact O-OG1 3.42Å; V87-L209 HydrophobicContact CG1-CD2 3.9Å; V87-L209 HydrophobicContact CG1-CG 4.29Å; V87-M225 HydrophobicContact CG1-CE 4.34Å; V87-L228 HydrophobicContact CG2-CD1 4.33Å
88	D	89.9	Confident	92.2	Very high	7 Å²	7	30.3 Å²	30.3	4%	0.037	16%	0.164	C	C	.	.	H	α-helix	trans	-68.6	-49.2	-177.2	-75.5	4.9	0	0	0	112.7	A84 G85 I86 T91 K92 K221 M225 P308	A84-D88 WeakPolarHBondContact O-CB 3.38Å; A84-D88 PolarHBondContact O-N 2.97Å; G85-D88 PolarHBondContact O-N 3.1Å; I86-D88 VanDerWaalsContact C-N 3.29Å; I86-D88 PolarHBondContact O-N 2.93Å; D88-T91 PolarHBondContact O-N 3.2Å; D88-K92 PolarHBondContact O-N 3.43Å; D88-K221 WeakPolarHBondContact OD1-CD 3.37Å; D88-K221 WeakPolarHBondContact OD1-CE 3.47Å; D88-K221 IonicContact OD1-NZ 3.32Å; D88-K221 PolarHBondContact OD1-NZ 3.34Å; D88-K221 IonicContact OD2-NZ 3.47Å; D88-K221 PolarHBondContact OD2-NZ 3.46Å; D88-M225 WeakPolarHBondContact OD1-CE 2.83Å; D88-P308 HydrophobicContact CB-CB 4Å; D88-P308 HydrophobicContact CB-CG 4.43Å
89	I	89.3	Confident	91.6	Very high	84 Å²	84	29 Å²	29	43%	0.431	16%	0.157	S	C	.	.	H	α-helix	trans	-61.8	-46.8	177.6	-65.8	166.5	0	0	0	110.1	G85 K92 W93 I306 P308	G85-I89 WeakPolarHBondContact O-CB 3.45Å; G85-I89 VanDerWaalsContact O-CG1 3.27Å; G85-I89 WeakPolarHBondContact O-CG1 3.49Å; G85-I89 PolarHBondContact O-N 3.27Å; I89-K92 PolarHBondContact O-N 2.79Å; I89-W93 WeakPolarHBondContact O-CB 3.34Å; I89-W93 PolarHBondContact O-N 2.85Å; I89-I306 HydrophobicContact CD1-CG2 4.01Å; I89-P308 HydrophobicContact CD1-CB 4.38Å; I89-P308 HydrophobicContact CG1-CB 3.85Å
90	S	91.7	Very high	91.1	Very high	26 Å²	26	28 Å²	28	18%	0.182	15%	0.148	C	C	.	.	H	α-helix	trans	-65.9	-39.9	-179.7	58.9	0	0	0	0	112.7	I86 V87 M94 A210	I86-S90 VanDerWaalsContact O-CB 3.24Å; I86-S90 WeakPolarHBondContact O-CB 3.41Å; I86-S90 PolarHBondContact O-N 3.42Å; I86-S90 PolarHBondContact O-OG 2.92Å; V87-S90 WeakPolarHBondContact CA-OG 3.39Å; V87-S90 PolarHBondContact O-OG 2.92Å; V87-S90 VanDerWaalsContact O-OG 3.06Å; S90-M94 VanDerWaalsContact O-CB 3.31Å; S90-M94 WeakPolarHBondContact O-CB 3.37Å; S90-M94 WeakPolarHBondContact O-CG 3.45Å; S90-M94 PolarHBondContact O-N 3.26Å; S90-A210 WeakPolarHBondContact OG-CB 3.37Å
91	T	90.8	Very high	90.7	Very high	19 Å²	19	28.5 Å²	28.5	12%	0.117	15%	0.15	C	C	.	.	H	α-helix	trans	-62.6	-45	177.1	-59.1	0	0	0	0	111.2	V87 D88 M94 S95 A210 A213	V87-T91 WeakPolarHBondContact O-CB 3.37Å; V87-T91 PolarHBondContact O-N 3.47Å; V87-T91 PolarHBondContact O-OG1 3.42Å; D88-T91 PolarHBondContact O-N 3.2Å; T91-M94 PolarHBondContact O-N 2.69Å; T91-S95 VanDerWaalsContact O-CB 3.28Å; T91-S95 WeakPolarHBondContact O-CB 3.42Å; T91-S95 PolarHBondContact O-N 3.28Å; T91-A210 WeakPolarHBondContact OG1-CA 3.43Å; T91-A213 HydrophobicContact CG2-CB 3.53Å
92	K	86.4	Confident	90.3	Very high	48 Å²	48	28.6 Å²	28.6	21%	0.209	15%	0.151	C	C	.	.	H	α-helix	trans	-65.2	-46	-179.4	-166.4	177.8	-175.1	-150.4	0	111.7	D88 I89 S95 N96 D109	D88-K92 PolarHBondContact O-N 3.43Å; I89-K92 PolarHBondContact O-N 2.79Å; K92-S95 PolarHBondContact O-N 3.35Å; K92-N96 PolarHBondContact O-N 3Å; K92-N96 PolarHBondContact O-ND2 3.43Å; K92-D109 WeakPolarHBondContact CD-OD2 3.35Å; K92-D109 WeakPolarHBondContact CE-OD2 3.27Å; K92-D109 HydrophobicContact CG-CB 4.35Å; K92-D109 IonicContact NZ-OD2 3.74Å; K92-D109 PolarHBondContact NZ-OD2 3.29Å
93	W	88.8	Confident	89.8	Confident	66 Å²	66	29.6 Å²	29.6	25%	0.25	16%	0.157	C	C	.	.	H	α-helix	trans	-59.5	-51	175	169.4	67.6	0	0	0	112.1	I89 S95 N96 L97 F106	I89-W93 WeakPolarHBondContact O-CB 3.34Å; I89-W93 PolarHBondContact O-N 2.85Å; W93-S95 VanDerWaalsContact C-N 3.32Å; W93-S95 PolarHBondContact O-N 3.01Å; W93-N96 PolarHBondContact O-N 3.35Å; W93-L97 PolarHBondContact O-N 2.92Å; W93-F106 HydrophobicContact CH2-CE1 4.31Å; W93-F106 HydrophobicContact CZ2-CD1 4.12Å; W93-F106 AromaticContact CZ2-CE1 3.54Å; W93-F106 HydrophobicContact CZ2-CE1 3.54Å; W93-F106 AromaticContact CZ2-CZ 3.98Å; W93-F106 HydrophobicContact CZ2-CZ 3.98Å; W93-F106 PolarHBondContact NE1-O 3.23Å
94	M	91.1	Very high	89.2	Confident	32 Å²	32	35 Å²	35	16%	0.158	19%	0.185	C	C	.	.	H	α-helix	trans	-65.5	-32.5	180	-70.3	176.7	-178.8	0	0	113	S90 T91 L97 A210 L211 A214	S90-M94 VanDerWaalsContact O-CB 3.31Å; S90-M94 WeakPolarHBondContact O-CB 3.37Å; S90-M94 WeakPolarHBondContact O-CG 3.45Å; S90-M94 PolarHBondContact O-N 3.26Å; T91-M94 PolarHBondContact O-N 2.69Å; M94-L97 WeakPolarHBondContact O-CB 3.48Å; M94-L97 PolarHBondContact O-N 2.87Å; M94-A210 HydrophobicContact SD-CB 4.25Å; M94-L211 HydrophobicContact CE-CD2 4.2Å; M94-L211 HydrophobicContact SD-CD2 3.77Å; M94-L211 HydrophobicContact SD-CG 4.32Å; M94-A214 HydrophobicContact CB-CB 3.36Å
95	S	88.7	Confident	88.7	Confident	20 Å²	20	35.3 Å²	35.3	14%	0.14	19%	0.188	C	C	.	.	H	α-helix	trans	-66.4	-41.2	176.5	-174.1	0	0	0	0	111.4	T91 K92 W93 L97 K98	T91-S95 VanDerWaalsContact O-CB 3.28Å; T91-S95 WeakPolarHBondContact O-CB 3.42Å; T91-S95 PolarHBondContact O-N 3.28Å; K92-S95 PolarHBondContact O-N 3.35Å; W93-S95 VanDerWaalsContact C-N 3.32Å; W93-S95 PolarHBondContact O-N 3.01Å; S95-L97 VanDerWaalsContact C-N 3.28Å; S95-L97 PolarHBondContact O-N 3.37Å; S95-K98 WeakPolarHBondContact O-CB 3.13Å; S95-K98 WeakPolarHBondContact O-CE 3.32Å; S95-K98 PolarHBondContact O-N 2.97Å
96	N	87.8	Confident	88.4	Confident	22 Å²	22	40.6 Å²	40.6	12%	0.118	21%	0.211	C	C	.	.	H	α-helix	trans	-68.2	-27.5	179.4	-70.8	-24.4	0	0	0	113	K92 W93 K98 E99 G100 D109 K110 W130	K92-N96 PolarHBondContact O-N 3Å; K92-N96 PolarHBondContact O-ND2 3.43Å; W93-N96 PolarHBondContact O-N 3.35Å; N96-K98 PolarHBondContact O-N 3.44Å; N96-E99 PolarHBondContact O-N 3.32Å; N96-G100 PolarHBondContact O-N 3.06Å; N96-G100 VanDerWaalsContact O-O 3.11Å; N96-D109 WeakPolarHBondContact ND2-CB 3.2Å; N96-K110 PolarHBondContact ND2-N 2.96Å; N96-W130 HydrophobicContact CB-CH2 3.66Å; N96-W130 HydrophobicContact CB-CZ2 4.01Å
97	L	89.1	Confident	88	Confident	9 Å²	9	43.6 Å²	43.6	5%	0.047	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-24.4	174.6	-166.9	69.3	0	0	0	112.9	W93 M94 S95 E99 G100 V101 F106 W133 W157 M161	W93-L97 PolarHBondContact O-N 2.92Å; M94-L97 WeakPolarHBondContact O-CB 3.48Å; M94-L97 PolarHBondContact O-N 2.87Å; S95-L97 VanDerWaalsContact C-N 3.28Å; S95-L97 PolarHBondContact O-N 3.37Å; L97-E99 VanDerWaalsContact C-N 3.34Å; L97-G100 WeakPolarHBondContact CA-O 3.37Å; L97-V101 HydrophobicContact CD1-CG1 3.6Å; L97-F106 HydrophobicContact CD1-CE2 3.69Å; L97-F106 HydrophobicContact CD1-CZ 3.94Å; L97-W133 HydrophobicContact CD1-CZ2 4.23Å; L97-W133 HydrophobicContact CG-CZ2 4.45Å; L97-W133 WeakPolarHBondContact O-CZ2 3.36Å; L97-W133 PolarHBondContact O-NE1 3.37Å; L97-W157 HydrophobicContact CD1-CZ2 4.46Å; L97-W157 HydrophobicContact CD2-CD2 3.99Å; L97-W157 HydrophobicContact CD2-CE3 3.71Å; L97-W157 HydrophobicContact CD2-CH2 3.63Å; L97-W157 HydrophobicContact CD2-CZ2 3.92Å; L97-W157 HydrophobicContact CD2-CZ3 3.52Å; L97-W157 HydrophobicContact CG-CD2 4.18Å; L97-W157 HydrophobicContact CG-CE3 4.41Å; L97-W157 HydrophobicContact CG-CH2 4.33Å; L97-W157 HydrophobicContact CG-CZ2 4.11Å; L97-W157 HydrophobicContact CG-CZ3 4.48Å; L97-M161 HydrophobicContact CD2-CE 3.6Å
98	K	88.5	Confident	87.4	Confident	6 Å²	6	47 Å²	47	3%	0.026	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-29.5	175.4	-62.6	-179	-61.2	-171.7	0	113.3	S95 N96 Y154 W157 A214	S95-K98 WeakPolarHBondContact O-CB 3.13Å; S95-K98 WeakPolarHBondContact O-CE 3.32Å; S95-K98 PolarHBondContact O-N 2.97Å; N96-K98 PolarHBondContact O-N 3.44Å; K98-Y154 HydrophobicContact CB-CD2 3.75Å; K98-Y154 HydrophobicContact CB-CE2 4.06Å; K98-Y154 HydrophobicContact CD-CD2 4.3Å; K98-Y154 HydrophobicContact CD-CE2 3.93Å; K98-W157 HydrophobicContact CG-CB 3.97Å; K98-A214 WeakPolarHBondContact CD-O 3.43Å; K98-A214 WeakPolarHBondContact CE-O 3.17Å; K98-A214 PolarHBondContact NZ-O 3.26Å
99	E	84.2	Confident	87	Confident	41 Å²	41	47.1 Å²	47.1	19%	0.192	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-35.6	-176.8	-63.1	-174.6	173.1	0	0	111.8	N96 L97 T132 W133	N96-E99 PolarHBondContact O-N 3.32Å; L97-E99 VanDerWaalsContact C-N 3.34Å; E99-T132 WeakPolarHBondContact O-CA 3.23Å; E99-W133 PolarHBondContact O-N 2.93Å
100	G	87.1	Confident	86.5	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.1	-167.2	-177.8	0	0	0	0	0	113.4	N96 L97 W130 H131	N96-G100 PolarHBondContact O-N 3.06Å; N96-G100 VanDerWaalsContact O-O 3.11Å; L97-G100 WeakPolarHBondContact CA-O 3.37Å; G100-W130 WeakPolarHBondContact O-CH2 3.47Å; G100-W130 VanDerWaalsContact O-CZ2 3.29Å; G100-W130 WeakPolarHBondContact O-CZ2 3.41Å; G100-H131 CarbonylContact C-O 2.98Å; G100-H131 VanDerWaalsContact CA-O 3.23Å; G100-H131 WeakPolarHBondContact CA-O 2.94Å
101	V	89.1	Confident	85.8	Confident	15 Å²	15	47.3 Å²	47.3	9%	0.091	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	155.3	179.4	-72.8	0	0	0	0	110.8	L97 P103 F106 H131 W133 L136	L97-V101 HydrophobicContact CD1-CG1 3.6Å; V101-P103 WeakPolarHBondContact O-CD 3.47Å; V101-F106 HydrophobicContact CG1-CD2 4.1Å; V101-F106 HydrophobicContact CG1-CE2 3.87Å; V101-H131 PolarHBondContact N-O 2.85Å; V101-H131 PolarHBondContact O-N 3.45Å; V101-H131 VanDerWaalsContact O-N 3.13Å; V101-W133 HydrophobicContact CG1-CH2 4.09Å; V101-W133 HydrophobicContact CG1-CZ2 4.03Å; V101-L136 HydrophobicContact CG2-CD1 4.45Å; V101-L136 HydrophobicContact CG2-CD2 3.93Å
102	C	87.8	Confident	85.3	Confident	3 Å²	3	49.4 Å²	49.4	2%	0.02	24%	0.24	C	C	.	.			trans	-92.3	107.6	166.9	-166.6	0	0	0	0	108.4	D104 A105 F106 C113 W130	C102-D104 VanDerWaalsContact C-N 3.33Å; C102-D104 PolarHBondContact O-N 2.87Å; C102-A105 WeakPolarHBondContact CB-O 3.46Å; C102-A105 CarbonylContact O-C 3.58Å; C102-A105 VanDerWaalsContact O-C 3.26Å; C102-A105 PolarHBondContact O-N 2.98Å; C102-F106 WeakPolarHBondContact O-CA 3.12Å; C102-F106 PolarHBondContact O-N 2.92Å; C102-C113 HydrophobicContact CB-CB 3.64Å; C102-C113 WeakPolarHBondContact CB-SG 3.36Å; C102-C113 WeakPolarHBondContact SG-CB 3.45Å; C102-C113 CovalentContact SG-SG 2.04Å; C102-C113 PolarHBondContact SG-SG 2.91Å; C102-W130 HydrophobicContact CB-CE3 4.16Å; C102-W130 HydrophobicContact CB-CZ3 4.18Å
103	P	84.8	Confident	85.1	Confident	68 Å²	68	47.1 Å²	47.1	44%	0.442	23%	0.23	S	C	.	.	S	Bend	trans	-64.2	-36.6	-174	-22.8	34.8	0	0	0	113.4	V101 A105 A129 H131	V101-P103 WeakPolarHBondContact O-CD 3.47Å; P103-A105 VanDerWaalsContact C-N 3.33Å; P103-A105 PolarHBondContact O-N 3.28Å; P103-A129 WeakPolarHBondContact CD-O 3.32Å; P103-H131 HydrophobicContact CG-CB 4.18Å; P103-H131 WeakPolarHBondContact CG-CD2 3.44Å
104	D	83.7	Confident	84.6	Confident	146 Å²	146	44.1 Å²	44.1	78%	0.781	22%	0.218	S	C	*	.	S	Bend	trans	-69.4	-32.6	-177.8	-68.2	-26.8	0	0	0	112.5	C102	C102-D104 VanDerWaalsContact C-N 3.33Å; C102-D104 PolarHBondContact O-N 2.87Å
105	A	84.7	Confident	83.8	Confident	11 Å²	11	51.6 Å²	51.6	9%	0.091	25%	0.245	C	C	.	.			trans	-150.7	92.3	-179.5	0	0	0	0	0	110.4	C102 P103 W107 F108	C102-A105 WeakPolarHBondContact CB-O 3.46Å; C102-A105 CarbonylContact O-C 3.58Å; C102-A105 VanDerWaalsContact O-C 3.26Å; C102-A105 PolarHBondContact O-N 2.98Å; P103-A105 VanDerWaalsContact C-N 3.33Å; P103-A105 PolarHBondContact O-N 3.28Å; A105-W107 HydrophobicContact CB-CZ2 4.24Å; A105-W107 PolarHBondContact O-N 2.99Å; A105-F108 HydrophobicContact CB-CD2 3.25Å; A105-F108 HydrophobicContact CB-CE2 3.53Å; A105-F108 HydrophobicContact CB-CG 4.12Å; A105-F108 PolarHBondContact O-N 3.28Å
106	F	85.9	Confident	83.2	Confident	110 Å²	110	54.4 Å²	54.4	48%	0.482	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-24.7	-176.2	177.6	-106.9	0	0	0	114.5	W93 L97 V101 C102	W93-F106 HydrophobicContact CH2-CE1 4.31Å; W93-F106 HydrophobicContact CZ2-CD1 4.12Å; W93-F106 AromaticContact CZ2-CE1 3.54Å; W93-F106 HydrophobicContact CZ2-CE1 3.54Å; W93-F106 AromaticContact CZ2-CZ 3.98Å; W93-F106 HydrophobicContact CZ2-CZ 3.98Å; W93-F106 PolarHBondContact NE1-O 3.23Å; L97-F106 HydrophobicContact CD1-CE2 3.69Å; L97-F106 HydrophobicContact CD1-CZ 3.94Å; V101-F106 HydrophobicContact CG1-CD2 4.1Å; V101-F106 HydrophobicContact CG1-CE2 3.87Å; C102-F106 WeakPolarHBondContact O-CA 3.12Å; C102-F106 PolarHBondContact O-N 2.92Å
107	W	83.6	Confident	82.3	Confident	181 Å²	181	55.1 Å²	55.1	69%	0.686	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-6.8	179.1	60.1	72.5	0	0	0	114.2	A105	A105-W107 HydrophobicContact CB-CZ2 4.24Å; A105-W107 PolarHBondContact O-N 2.99Å
108	F	82	Confident	81.2	Confident	72 Å²	72	60.8 Å²	60.8	32%	0.316	30%	0.304	S	S	.	.			trans	-81.3	139.8	174.7	-71.4	-41.1	0	0	0	111.4	A105 H112 C113	A105-F108 HydrophobicContact CB-CD2 3.25Å; A105-F108 HydrophobicContact CB-CE2 3.53Å; A105-F108 HydrophobicContact CB-CG 4.12Å; A105-F108 PolarHBondContact O-N 3.28Å; F108-H112 HydrophobicContact CB-CB 4.24Å; F108-H112 HydrophobicContact CD1-CB 3.88Å; F108-H112 HydrophobicContact CG-CB 4.18Å; F108-C113 HydrophobicContact CB-CB 4.23Å
109	D	81.5	Confident	79.9	Confident	10 Å²	10	63.3 Å²	63.3	5%	0.053	32%	0.318	C	S	.	.			trans	-74.2	169.3	167.2	80.5	-33.6	0	0	0	109.4	K92 N96 V111 H112 C113	K92-D109 WeakPolarHBondContact CD-OD2 3.35Å; K92-D109 WeakPolarHBondContact CE-OD2 3.27Å; K92-D109 HydrophobicContact CG-CB 4.35Å; K92-D109 IonicContact NZ-OD2 3.74Å; K92-D109 PolarHBondContact NZ-OD2 3.29Å; N96-D109 WeakPolarHBondContact ND2-CB 3.2Å; D109-V111 PolarHBondContact O-N 3.38Å; D109-H112 PolarHBondContact O-N 3.13Å; D109-H112 WeakPolarHBondContact OD1-CB 3.33Å; D109-H112 IonicContact OD1-CE1 2.99Å; D109-H112 IonicContact OD1-CG 2.79Å; D109-H112 PolarHBondContact OD1-N 3.11Å; D109-H112 IonicContact OD1-ND1 3.73Å; D109-H112 PolarHBondContact OD1-ND1 3.47Å; D109-H112 IonicContact OD2-ND1 3Å; D109-C113 VanDerWaalsContact O-CB 3.25Å; D109-C113 WeakPolarHBondContact O-CB 3.45Å; D109-C113 PolarHBondContact O-N 2.93Å
110	K	79.9	Confident	78.3	Confident	33 Å²	33	66 Å²	66	14%	0.143	34%	0.337	C	S	.	.	H	α-helix	trans	-53.2	-42.6	-179.1	-174.6	179	-177.6	-175.9	0	111.9	N96 C114 D125 W130	N96-K110 PolarHBondContact ND2-N 2.96Å; K110-C114 WeakPolarHBondContact O-CB 3.37Å; K110-C114 PolarHBondContact O-N 2.92Å; K110-C114 PolarHBondContact O-SG 3.23Å; K110-D125 IonicContact NZ-OD1 3.55Å; K110-D125 PolarHBondContact NZ-OD1 3.37Å; K110-W130 HydrophobicContact CB-CD2 3.99Å; K110-W130 HydrophobicContact CB-CE3 3.93Å; K110-W130 HydrophobicContact CB-CH2 4.15Å; K110-W130 HydrophobicContact CB-CZ2 4.18Å; K110-W130 HydrophobicContact CB-CZ3 4.01Å; K110-W130 HydrophobicContact CD-CD2 4.46Å; K110-W130 HydrophobicContact CD-CG 4.49Å; K110-W130 HydrophobicContact CG-CD2 3.77Å; K110-W130 HydrophobicContact CG-CE3 4.14Å; K110-W130 HydrophobicContact CG-CG 3.96Å
111	V	77.1	Confident	76.5	Confident	82 Å²	82	75 Å²	75	50%	0.497	38%	0.377	S	S	.	.	H	α-helix	trans	-68.1	-48.4	-177.1	-177.7	0	0	0	0	112.1	D109 C113 C114 W115	D109-V111 PolarHBondContact O-N 3.38Å; V111-C113 VanDerWaalsContact C-N 3.35Å; V111-C114 PolarHBondContact O-N 2.8Å; V111-W115 WeakPolarHBondContact O-CB 3.45Å; V111-W115 PolarHBondContact O-N 3.43Å
112	H	79.7	Confident	74.5	Confident	63 Å²	63	77.8 Å²	77.8	29%	0.292	39%	0.388	S	S	.	.	H	α-helix	trans	-69.6	-34.6	179.1	-68.6	81.6	0	0	0	111.7	F108 D109 C114 W115 S116	F108-H112 HydrophobicContact CB-CB 4.24Å; F108-H112 HydrophobicContact CD1-CB 3.88Å; F108-H112 HydrophobicContact CG-CB 4.18Å; D109-H112 PolarHBondContact O-N 3.13Å; D109-H112 WeakPolarHBondContact OD1-CB 3.33Å; D109-H112 IonicContact OD1-CE1 2.99Å; D109-H112 IonicContact OD1-CG 2.79Å; D109-H112 PolarHBondContact OD1-N 3.11Å; D109-H112 IonicContact OD1-ND1 3.73Å; D109-H112 PolarHBondContact OD1-ND1 3.47Å; D109-H112 IonicContact OD2-ND1 3Å; H112-C114 VanDerWaalsContact C-N 3.32Å; H112-C114 PolarHBondContact O-N 3.05Å; H112-W115 PolarHBondContact O-N 3.16Å; H112-S116 WeakPolarHBondContact O-CB 3.4Å; H112-S116 PolarHBondContact O-N 2.82Å
113	C	82.6	Confident	72.7	Confident	0 Å²	0	81.1 Å²	81.1	0%	0	41%	0.411	C	S	.	.	H	α-helix	trans	-57.3	-49	173.1	-174.7	0	0	0	0	110.4	C102 F108 D109 V111 S116 A117 A129 W130	C102-C113 HydrophobicContact CB-CB 3.64Å; C102-C113 WeakPolarHBondContact CB-SG 3.36Å; C102-C113 WeakPolarHBondContact SG-CB 3.45Å; C102-C113 CovalentContact SG-SG 2.04Å; C102-C113 PolarHBondContact SG-SG 2.91Å; F108-C113 HydrophobicContact CB-CB 4.23Å; D109-C113 VanDerWaalsContact O-CB 3.25Å; D109-C113 WeakPolarHBondContact O-CB 3.45Å; D109-C113 PolarHBondContact O-N 2.93Å; V111-C113 VanDerWaalsContact C-N 3.35Å; C113-S116 PolarHBondContact O-N 3.02Å; C113-S116 PolarHBondContact O-OG 2.94Å; C113-A117 PolarHBondContact O-N 3.48Å; C113-A129 PolarHBondContact SG-O 3.38Å; C113-W130 HydrophobicContact CB-CE3 4.15Å
114	C	78.5	Confident	71	Confident	2 Å²	2	79.9 Å²	79.9	1%	0.014	41%	0.41	C	S	.	.	H	α-helix	trans	-70.5	-35.2	-179.8	-64	0	0	0	0	113.9	K110 V111 H112 S116 A117 F122 C127	K110-C114 WeakPolarHBondContact O-CB 3.37Å; K110-C114 PolarHBondContact O-N 2.92Å; K110-C114 PolarHBondContact O-SG 3.23Å; V111-C114 PolarHBondContact O-N 2.8Å; H112-C114 VanDerWaalsContact C-N 3.32Å; H112-C114 PolarHBondContact O-N 3.05Å; C114-S116 VanDerWaalsContact C-N 3.31Å; C114-S116 PolarHBondContact O-N 3.3Å; C114-A117 PolarHBondContact O-N 3.02Å; C114-F122 HydrophobicContact CB-CD1 4.42Å; C114-F122 HydrophobicContact CB-CD2 3.67Å; C114-F122 HydrophobicContact CB-CE1 4.08Å; C114-F122 HydrophobicContact CB-CE2 3.31Å; C114-F122 HydrophobicContact CB-CG 4.23Å; C114-F122 HydrophobicContact CB-CZ 3.54Å; C114-F122 VanDerWaalsContact SG-CE2 3.57Å; C114-F122 WeakPolarHBondContact SG-CZ 3.47Å; C114-C127 WeakPolarHBondContact CA-SG 3.2Å; C114-C127 HydrophobicContact CB-CB 4.39Å; C114-C127 WeakPolarHBondContact CB-SG 3.41Å; C114-C127 WeakPolarHBondContact SG-CB 3.47Å; C114-C127 CovalentContact SG-SG 2.04Å; C114-C127 PolarHBondContact SG-SG 3.3Å
115	W	74.6	Confident	69.7	Low	189 Å²	189	78.4 Å²	78.4	72%	0.716	40%	0.403	S	S	*	.	H	α-helix	trans	-65.8	-36.7	174.6	-165.1	44.1	0	0	0	112	V111 H112 A117 N118	V111-W115 WeakPolarHBondContact O-CB 3.45Å; V111-W115 PolarHBondContact O-N 3.43Å; H112-W115 PolarHBondContact O-N 3.16Å; W115-A117 PolarHBondContact O-N 2.76Å; W115-N118 PolarHBondContact O-N 3.46Å; W115-N118 VanDerWaalsContact O-N 3.09Å
116	S	74.5	Confident	68.6	Low	80 Å²	80	87 Å²	87	56%	0.559	44%	0.438	S	S	*	.	H	α-helix	trans	-65	-26.8	177.3	76.9	0	0	0	0	113.7	H112 C113 C114 N118	H112-S116 WeakPolarHBondContact O-CB 3.4Å; H112-S116 PolarHBondContact O-N 2.82Å; C113-S116 PolarHBondContact O-N 3.02Å; C113-S116 PolarHBondContact O-OG 2.94Å; C114-S116 VanDerWaalsContact C-N 3.31Å; C114-S116 PolarHBondContact O-N 3.3Å; S116-N118 PolarHBondContact O-N 3.21Å
117	A	69.1	Low	68	Low	37 Å²	37	82.7 Å²	82.7	31%	0.306	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-0	175.9	0	0	0	0	0	113.5	C113 C114 W115 D119 A129	C113-A117 PolarHBondContact O-N 3.48Å; C114-A117 PolarHBondContact O-N 3.02Å; W115-A117 PolarHBondContact O-N 2.76Å; A117-D119 PolarHBondContact O-N 2.93Å; A117-A129 HydrophobicContact CB-CB 3.85Å
118	N	66.4	Low	67.6	Low	128 Å²	128	78 Å²	78	68%	0.684	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	19.2	-176.5	-131.4	17.3	0	0	0	113.7	W115 S116 T120	W115-N118 PolarHBondContact O-N 3.46Å; W115-N118 VanDerWaalsContact O-N 3.09Å; S116-N118 PolarHBondContact O-N 3.21Å; N118-T120 PolarHBondContact O-N 2.81Å
119	D	60.5	Low	67.7	Low	59 Å²	59	75.2 Å²	75.2	32%	0.316	41%	0.406	S	S	.	.			trans	-72.5	77.2	167.7	-76.7	-26.9	0	0	0	107.2	A117 F121 F122 S128	A117-D119 PolarHBondContact O-N 2.93Å; D119-F121 PolarHBondContact O-N 3.28Å; D119-F122 HydrophobicContact CB-CD2 3.6Å; D119-F122 HydrophobicContact CB-CE2 3.71Å; D119-F122 WeakPolarHBondContact O-CD2 3.18Å; D119-S128 PolarHBondContact OD2-OG 2.78Å
120	T	52.4	Low	67.8	Low	97 Å²	97	75.4 Å²	75.4	60%	0.595	41%	0.406	S	S	*	.			trans	-74	-16.5	-176.9	55.1	0	0	0	0	112.9	N118 F122	N118-T120 PolarHBondContact O-N 2.81Å; T120-F122 PolarHBondContact O-N 2.97Å
121	F	48.8	Very low	68.1	Low	190 Å²	190	76.3 Å²	76.3	83%	0.833	41%	0.411	S	S	*	.			trans	-101.1	63.8	175.3	-79.2	-83	0	0	0	110.4	D119 S123	D119-F121 PolarHBondContact O-N 3.28Å; F121-S123 PolarHBondContact O-N 3.48Å
122	F	47	Very low	68.5	Low	72 Å²	72	74.2 Å²	74.2	32%	0.316	40%	0.398	S	S	.	.			trans	-83.2	54.5	-178.7	-131.7	-85.5	0	0	0	112.2	C114 D119 T120 G124 C127	C114-F122 HydrophobicContact CB-CD1 4.42Å; C114-F122 HydrophobicContact CB-CD2 3.67Å; C114-F122 HydrophobicContact CB-CE1 4.08Å; C114-F122 HydrophobicContact CB-CE2 3.31Å; C114-F122 HydrophobicContact CB-CG 4.23Å; C114-F122 HydrophobicContact CB-CZ 3.54Å; C114-F122 VanDerWaalsContact SG-CE2 3.57Å; C114-F122 WeakPolarHBondContact SG-CZ 3.47Å; D119-F122 HydrophobicContact CB-CD2 3.6Å; D119-F122 HydrophobicContact CB-CE2 3.71Å; D119-F122 WeakPolarHBondContact O-CD2 3.18Å; T120-F122 PolarHBondContact O-N 2.97Å; F122-G124 PolarHBondContact O-N 3.13Å; F122-C127 HydrophobicContact CE1-CB 4.32Å; F122-C127 HydrophobicContact CE2-CB 3.92Å; F122-C127 HydrophobicContact CZ-CB 3.3Å; F122-C127 WeakPolarHBondContact CZ-SG 3.42Å
123	S	49.3	Very low	68.9	Low	74 Å²	74	72.6 Å²	72.6	52%	0.517	39%	0.39	S	S	.	.			trans	-100.5	71	-179.8	-56.8	0	0	0	0	110.1	F121 V408	F121-S123 PolarHBondContact O-N 3.48Å; S123-V408 WeakPolarHBondContact O-CG2 3.35Å
124	G	49.8	Very low	69.1	Low	41 Å²	41	72.8 Å²	72.8	42%	0.423	39%	0.391	S	S	.	.	S	Bend	trans	136.1	144.3	179.4	0	0	0	0	0	111.8	F122 K126	F122-G124 PolarHBondContact O-N 3.13Å; G124-K126 PolarHBondContact O-N 3.38Å
125	D	56.5	Low	69.4	Low	115 Å²	115	75.6 Å²	75.6	62%	0.615	40%	0.404	S	S	*	.	S	Bend	trans	-54.3	5.6	-166.5	-84.2	-53.5	0	0	0	119.1	K110	K110-D125 IonicContact NZ-OD1 3.55Å; K110-D125 PolarHBondContact NZ-OD1 3.37Å
126	K	62	Low	69.9	Low	193 Å²	193	70.8 Å²	70.8	84%	0.839	39%	0.392	S	S	*	.			trans	-101.8	97.5	-172.2	-62.9	-173.5	178.8	-175.8	0	111.4	G124	G124-K126 PolarHBondContact O-N 3.38Å
127	C	72.5	Confident	70.4	Confident	18 Å²	18	71.7 Å²	71.7	12%	0.122	39%	0.39	C	S	.	.			trans	-91.5	136.6	167	-151.4	0	0	0	0	109.6	C114 F122 A129 W130	C114-C127 WeakPolarHBondContact CA-SG 3.2Å; C114-C127 HydrophobicContact CB-CB 4.39Å; C114-C127 WeakPolarHBondContact CB-SG 3.41Å; C114-C127 WeakPolarHBondContact SG-CB 3.47Å; C114-C127 CovalentContact SG-SG 2.04Å; C114-C127 PolarHBondContact SG-SG 3.3Å; F122-C127 HydrophobicContact CE1-CB 4.32Å; F122-C127 HydrophobicContact CE2-CB 3.92Å; F122-C127 HydrophobicContact CZ-CB 3.3Å; F122-C127 WeakPolarHBondContact CZ-SG 3.42Å; C127-A129 VanDerWaalsContact C-N 3.31Å; C127-W130 HydrophobicContact CB-CB 3.39Å
128	S	75.6	Confident	70.9	Confident	84 Å²	84	72.1 Å²	72.1	59%	0.587	40%	0.398	S	S	*	.	S	Bend	trans	-68.6	-33.3	167.7	58.3	0	0	0	0	112.3	D119	D119-S128 PolarHBondContact OD2-OG 2.78Å
129	A	82.7	Confident	71.4	Confident	13 Å²	13	69.8 Å²	69.8	11%	0.107	38%	0.383	C	S	.	.	S	Bend	trans	-91.3	-16.4	-175.3	0	0	0	0	0	115.2	P103 C113 A117 C127	P103-A129 WeakPolarHBondContact CD-O 3.32Å; C113-A129 PolarHBondContact SG-O 3.38Å; A117-A129 HydrophobicContact CB-CB 3.85Å; C127-A129 VanDerWaalsContact C-N 3.31Å
130	W	84.5	Confident	71.9	Confident	14 Å²	14	74.5 Å²	74.5	5%	0.053	40%	0.397	C	S	.	.			trans	-92.9	124.1	178.9	-176.3	-97	0	0	0	109.9	N96 G100 C102 K110 C113 C127	N96-W130 HydrophobicContact CB-CH2 3.66Å; N96-W130 HydrophobicContact CB-CZ2 4.01Å; G100-W130 WeakPolarHBondContact O-CH2 3.47Å; G100-W130 VanDerWaalsContact O-CZ2 3.29Å; G100-W130 WeakPolarHBondContact O-CZ2 3.41Å; C102-W130 HydrophobicContact CB-CE3 4.16Å; C102-W130 HydrophobicContact CB-CZ3 4.18Å; K110-W130 HydrophobicContact CB-CD2 3.99Å; K110-W130 HydrophobicContact CB-CE3 3.93Å; K110-W130 HydrophobicContact CB-CH2 4.15Å; K110-W130 HydrophobicContact CB-CZ2 4.18Å; K110-W130 HydrophobicContact CB-CZ3 4.01Å; K110-W130 HydrophobicContact CD-CD2 4.46Å; K110-W130 HydrophobicContact CD-CG 4.49Å; K110-W130 HydrophobicContact CG-CD2 3.77Å; K110-W130 HydrophobicContact CG-CE3 4.14Å; K110-W130 HydrophobicContact CG-CG 3.96Å; C113-W130 HydrophobicContact CB-CE3 4.15Å; C127-W130 HydrophobicContact CB-CB 3.39Å
131	H	86	Confident	72.8	Confident	51 Å²	51	76.7 Å²	76.7	24%	0.236	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	124	177.1	-72.1	-89.5	0	0	0	110.5	G100 V101 P103	G100-H131 CarbonylContact C-O 2.98Å; G100-H131 VanDerWaalsContact CA-O 3.23Å; G100-H131 WeakPolarHBondContact CA-O 2.94Å; V101-H131 PolarHBondContact N-O 2.85Å; V101-H131 PolarHBondContact O-N 3.45Å; V101-H131 VanDerWaalsContact O-N 3.13Å; P103-H131 HydrophobicContact CG-CB 4.18Å; P103-H131 WeakPolarHBondContact CG-CD2 3.44Å
132	T	85.7	Confident	74	Confident	38 Å²	38	72.8 Å²	72.8	23%	0.233	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	159.6	169.6	60.8	0	0	0	0	110.9	E99 P134 E135 L136	E99-T132 WeakPolarHBondContact O-CA 3.23Å; T132-P134 VanDerWaalsContact C-CD 3.5Å; T132-P134 VanDerWaalsContact C-N 3.35Å; T132-E135 PolarHBondContact N-OE2 3.21Å; T132-E135 PolarHBondContact O-N 2.94Å; T132-E135 VanDerWaalsContact O-N 3.15Å; T132-E135 VanDerWaalsContact OG1-CG 3.24Å; T132-E135 WeakPolarHBondContact OG1-CG 3.3Å; T132-E135 PolarHBondContact OG1-OE2 2.85Å; T132-L136 PolarHBondContact O-N 2.67Å
133	W	88.3	Confident	75.6	Confident	29 Å²	29	73.3 Å²	73.3	11%	0.11	41%	0.41	C	S	.	.	H	α-helix	trans	-55.5	-39.9	179.2	-69.7	105.6	0	0	0	114.5	L97 E99 V101 L136 L137 F153 W157	L97-W133 HydrophobicContact CD1-CZ2 4.23Å; L97-W133 HydrophobicContact CG-CZ2 4.45Å; L97-W133 WeakPolarHBondContact O-CZ2 3.36Å; L97-W133 PolarHBondContact O-NE1 3.37Å; E99-W133 PolarHBondContact O-N 2.93Å; V101-W133 HydrophobicContact CG1-CH2 4.09Å; V101-W133 HydrophobicContact CG1-CZ2 4.03Å; W133-L136 HydrophobicContact CE3-CD2 4.13Å; W133-L136 HydrophobicContact CZ3-CD2 4.02Å; W133-L136 PolarHBondContact O-N 3.42Å; W133-L137 PolarHBondContact O-N 3.21Å; W133-F153 HydrophobicContact CB-CB 4.07Å; W133-F153 HydrophobicContact CB-CD2 3.88Å; W133-F153 HydrophobicContact CB-CG 3.9Å; W133-F153 HydrophobicContact CD2-CB 4.26Å; W133-F153 AromaticContact CD2-CD1 3.71Å; W133-F153 HydrophobicContact CD2-CD1 3.71Å; W133-F153 HydrophobicContact CD2-CE1 4.19Å; W133-F153 AromaticContact CD2-CG 3.94Å; W133-F153 HydrophobicContact CD2-CG 3.94Å; W133-F153 AromaticContact CE3-CD1 3.77Å; W133-F153 HydrophobicContact CE3-CD1 3.77Å; W133-F153 AromaticContact CE3-CE1 3.75Å; W133-F153 HydrophobicContact CE3-CE1 3.75Å; W133-F153 HydrophobicContact CE3-CG 4.3Å; W133-F153 HydrophobicContact CE3-CZ 4.29Å; W133-F153 HydrophobicContact CG-CB 3.75Å; W133-F153 HydrophobicContact CG-CD1 4.05Å; W133-F153 HydrophobicContact CG-CD2 4.24Å; W133-F153 AromaticContact CG-CG 3.75Å; W133-F153 HydrophobicContact CG-CG 3.75Å; W133-F153 HydrophobicContact CZ3-CD1 4.3Å; W133-F153 HydrophobicContact CZ3-CE1 4.1Å; W133-W157 AromaticContact CE2-NE1 3.5Å; W133-W157 AromaticContact CH2-CZ2 3.99Å; W133-W157 HydrophobicContact CH2-CZ2 3.99Å; W133-W157 AromaticContact CH2-NE1 3.65Å; W133-W157 AromaticContact CZ2-CD1 3.95Å; W133-W157 AromaticContact CZ2-CE2 3.75Å; W133-W157 HydrophobicContact CZ2-CZ2 4.02Å; W133-W157 AromaticContact CZ2-NE1 3.04Å; W133-W157 AromaticContact NE1-CD1 3.97Å; W133-W157 AromaticContact NE1-NE1 3.9Å
134	P	86.3	Confident	77.2	Confident	4 Å²	4	73.9 Å²	73.9	3%	0.026	42%	0.419	C	S	.	.	H	α-helix	trans	-64.2	-42.9	173.8	-23.2	35.4	0	0	0	113.4	T132 L136 L137 G138 H139 A146 V149 E150	T132-P134 VanDerWaalsContact C-CD 3.5Å; T132-P134 VanDerWaalsContact C-N 3.35Å; P134-L136 VanDerWaalsContact C-N 3.29Å; P134-L136 PolarHBondContact O-N 3.01Å; P134-L137 CarbonylContact O-C 3.34Å; P134-L137 PolarHBondContact O-N 3.41Å; P134-G138 PolarHBondContact O-N 3.05Å; P134-H139 CarbonylContact C-O 3.49Å; P134-H139 HydrophobicContact CB-CB 4.4Å; P134-H139 PolarHBondContact O-N 3.33Å; P134-A146 HydrophobicContact CB-CB 3.79Å; P134-A146 HydrophobicContact CG-CB 4.24Å; P134-A146 WeakPolarHBondContact CG-O 3.34Å; P134-V149 HydrophobicContact CB-CG1 4.46Å; P134-V149 HydrophobicContact CG-CB 4.38Å; P134-V149 HydrophobicContact CG-CG1 4.16Å; P134-E150 HydrophobicContact CG-CB 3.87Å
135	E	84.9	Confident	78.9	Confident	61 Å²	61	76.1 Å²	76.1	29%	0.285	42%	0.421	S	S	.	.	H	α-helix	trans	-63.4	-37.2	178.4	-70.4	166.4	158.4	0	0	111.3	T132 L137 G138 H139 Y140	T132-E135 PolarHBondContact N-OE2 3.21Å; T132-E135 PolarHBondContact O-N 2.94Å; T132-E135 VanDerWaalsContact O-N 3.15Å; T132-E135 VanDerWaalsContact OG1-CG 3.24Å; T132-E135 WeakPolarHBondContact OG1-CG 3.3Å; T132-E135 PolarHBondContact OG1-OE2 2.85Å; E135-L137 PolarHBondContact O-N 2.85Å; E135-G138 PolarHBondContact O-N 2.78Å; E135-G138 VanDerWaalsContact O-N 3.09Å; E135-H139 PolarHBondContact N-O 3.49Å; E135-Y140 HydrophobicContact CB-CD1 4.21Å; E135-Y140 HydrophobicContact CB-CE1 4.11Å; E135-Y140 HydrophobicContact CG-CD1 3.99Å; E135-Y140 HydrophobicContact CG-CE1 4.34Å
136	L	85.1	Confident	80.3	Confident	88 Å²	88	71.1 Å²	71.1	46%	0.461	40%	0.396	S	S	.	.	H	α-helix	trans	-66.1	-27.9	175.6	-164.1	73.2	0	0	0	112.7	V101 T132 W133 P134 G138	V101-L136 HydrophobicContact CG2-CD1 4.45Å; V101-L136 HydrophobicContact CG2-CD2 3.93Å; T132-L136 PolarHBondContact O-N 2.67Å; W133-L136 HydrophobicContact CE3-CD2 4.13Å; W133-L136 HydrophobicContact CZ3-CD2 4.02Å; W133-L136 PolarHBondContact O-N 3.42Å; P134-L136 VanDerWaalsContact C-N 3.29Å; P134-L136 PolarHBondContact O-N 3.01Å; L136-G138 VanDerWaalsContact C-N 3.27Å
137	L	85.5	Confident	81.4	Confident	99 Å²	99	67.2 Å²	67.2	52%	0.518	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	6.5	174.9	-70.5	170.5	0	0	0	113.2	W133 P134 E135 V149 F153	W133-L137 PolarHBondContact O-N 3.21Å; P134-L137 CarbonylContact O-C 3.34Å; P134-L137 PolarHBondContact O-N 3.41Å; E135-L137 PolarHBondContact O-N 2.85Å; L137-V149 HydrophobicContact CD1-CG1 3.6Å; L137-F153 HydrophobicContact CD1-CE2 3.64Å; L137-F153 HydrophobicContact CD1-CZ 4.12Å
138	G	78.9	Confident	82.2	Confident	47 Å²	47	72.7 Å²	72.7	49%	0.485	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.8	10.6	177.8	0	0	0	0	0	114.6	P134 E135 L136	P134-G138 PolarHBondContact O-N 3.05Å; E135-G138 PolarHBondContact O-N 2.78Å; E135-G138 VanDerWaalsContact O-N 3.09Å; L136-G138 VanDerWaalsContact C-N 3.27Å
139	H	76.6	Confident	82.8	Confident	79 Å²	79	69.7 Å²	69.7	37%	0.366	38%	0.379	S	S	.	.			trans	-99.8	94	175.2	-66.3	-69	0	0	0	110.1	P134 E135	P134-H139 CarbonylContact C-O 3.49Å; P134-H139 HydrophobicContact CB-CB 4.4Å; P134-H139 PolarHBondContact O-N 3.33Å; E135-H139 PolarHBondContact N-O 3.49Å
140	Y	71.4	Confident	83	Confident	158 Å²	158	70.9 Å²	70.9	62%	0.62	38%	0.382	S	S	*	.			trans	-90.1	-21.6	177.7	-64.2	-82.6	0	0	0	113.3	E135	E135-Y140 HydrophobicContact CB-CD1 4.21Å; E135-Y140 HydrophobicContact CB-CE1 4.11Å; E135-Y140 HydrophobicContact CG-CD1 3.99Å; E135-Y140 HydrophobicContact CG-CE1 4.34Å
141	E	72.2	Confident	83.3	Confident	143 Å²	143	71.8 Å²	71.8	67%	0.668	39%	0.386	S	S	*	.	S	Bend	trans	-77.6	137.6	176.4	-65.9	-170.7	168.6	0	0	110	D143	E141-D143 PolarHBondContact O-N 3.41Å
142	A	72.7	Confident	83.5	Confident	108 Å²	108	72.6 Å²	72.6	89%	0.893	39%	0.394	S	S	*	.			trans	-73.9	57.9	-180	0	0	0	0	0	111.5
143	D	81	Confident	83.8	Confident	82 Å²	82	73.5 Å²	73.5	44%	0.439	40%	0.395	S	S	.	.			trans	-84.9	161.5	-178.5	-69.8	-25.2	0	0	0	111.8	E141 L145 A146 F147	E141-D143 PolarHBondContact O-N 3.41Å; D143-L145 PolarHBondContact O-N 2.96Å; D143-L145 VanDerWaalsContact O-N 3.1Å; D143-A146 WeakPolarHBondContact O-CB 3.47Å; D143-A146 PolarHBondContact O-N 3.24Å; D143-F147 PolarHBondContact O-N 2.94Å; D143-F147 VanDerWaalsContact O-N 3.12Å
144	A	83.9	Confident	83.9	Confident	87 Å²	87	72.2 Å²	72.2	72%	0.719	39%	0.39	S	S	*	.	H	α-helix	trans	-54.8	-30.2	172.9	0	0	0	0	0	112.6	F148	A144-F148 WeakPolarHBondContact O-CB 3.4Å; A144-F148 PolarHBondContact O-N 3.35Å
145	L	85.4	Confident	84.2	Confident	88 Å²	88	72.9 Å²	72.9	46%	0.461	39%	0.394	S	S	.	.	H	α-helix	trans	-68.6	-42.9	174.7	-167	155.7	0	0	0	111.3	D143 F147 F148 V149	D143-L145 PolarHBondContact O-N 2.96Å; D143-L145 VanDerWaalsContact O-N 3.1Å; L145-F147 VanDerWaalsContact C-N 3.34Å; L145-F147 PolarHBondContact O-N 3.13Å; L145-F148 PolarHBondContact O-N 2.68Å; L145-V149 HydrophobicContact CD2-CG2 3.64Å; L145-V149 WeakPolarHBondContact O-CB 3.38Å; L145-V149 VanDerWaalsContact O-CG2 3.29Å; L145-V149 WeakPolarHBondContact O-CG2 3.42Å; L145-V149 PolarHBondContact O-N 2.89Å
146	A	85	Confident	84.6	Confident	10 Å²	10	75.7 Å²	75.7	8%	0.083	41%	0.406	C	S	.	.	H	α-helix	trans	-60.4	-44.9	176.7	0	0	0	0	0	111	P134 D143 F148 V149 E150	P134-A146 HydrophobicContact CB-CB 3.79Å; P134-A146 HydrophobicContact CG-CB 4.24Å; P134-A146 WeakPolarHBondContact CG-O 3.34Å; D143-A146 WeakPolarHBondContact O-CB 3.47Å; D143-A146 PolarHBondContact O-N 3.24Å; A146-F148 PolarHBondContact O-N 2.97Å; A146-V149 PolarHBondContact O-N 2.89Å; A146-E150 WeakPolarHBondContact O-CB 3.29Å; A146-E150 PolarHBondContact O-N 3.12Å
147	F	85.3	Confident	85.1	Confident	111 Å²	111	74 Å²	74	49%	0.487	39%	0.393	S	S	.	.	H	α-helix	trans	-60.3	-43.9	174.2	-177.6	-93.2	0	0	0	112.3	D143 L145 E150 Y151 F383	D143-F147 PolarHBondContact O-N 2.94Å; D143-F147 VanDerWaalsContact O-N 3.12Å; L145-F147 VanDerWaalsContact C-N 3.34Å; L145-F147 PolarHBondContact O-N 3.13Å; F147-E150 PolarHBondContact O-N 3.15Å; F147-Y151 WeakPolarHBondContact O-CB 2.75Å; F147-Y151 PolarHBondContact O-N 3Å; F147-F383 AromaticContact CD2-CE1 3.98Å; F147-F383 HydrophobicContact CD2-CE1 3.98Å; F147-F383 HydrophobicContact CE1-CD1 4.47Å; F147-F383 HydrophobicContact CE1-CE1 4.07Å; F147-F383 HydrophobicContact CE2-CD1 4.12Å; F147-F383 AromaticContact CE2-CE1 3.46Å; F147-F383 HydrophobicContact CE2-CE1 3.46Å; F147-F383 VanDerWaalsContact CE2-CE1 3.46Å; F147-F383 HydrophobicContact CE2-CZ 4.46Å; F147-F383 AromaticContact CZ-CD1 3.82Å; F147-F383 HydrophobicContact CZ-CD1 3.82Å; F147-F383 AromaticContact CZ-CE1 3.51Å; F147-F383 HydrophobicContact CZ-CE1 3.51Å
148	F	88.5	Confident	85.5	Confident	132 Å²	132	69.3 Å²	69.3	58%	0.579	37%	0.369	S	S	*	.	H	α-helix	trans	-64.5	-41	177.7	179.7	-98.9	0	0	0	112.4	A144 L145 A146 Y151 V152	A144-F148 WeakPolarHBondContact O-CB 3.4Å; A144-F148 PolarHBondContact O-N 3.35Å; L145-F148 PolarHBondContact O-N 2.68Å; A146-F148 PolarHBondContact O-N 2.97Å; F148-Y151 WeakPolarHBondContact O-CB 3.46Å; F148-Y151 PolarHBondContact O-N 3.27Å; F148-V152 HydrophobicContact CD1-CG2 4.24Å; F148-V152 HydrophobicContact CE1-CG2 3.78Å; F148-V152 HydrophobicContact CE2-CG2 4.19Å; F148-V152 HydrophobicContact CZ-CG2 3.76Å; F148-V152 WeakPolarHBondContact O-CG2 3.38Å; F148-V152 PolarHBondContact O-N 3.43Å
149	V	88.7	Confident	86.2	Confident	22 Å²	22	69.3 Å²	69.3	13%	0.133	36%	0.357	C	S	.	.	H	α-helix	trans	-62.3	-50.6	176	167.1	0	0	0	0	110.1	P134 L137 L145 A146 Y151 V152 F153	P134-V149 HydrophobicContact CB-CG1 4.46Å; P134-V149 HydrophobicContact CG-CB 4.38Å; P134-V149 HydrophobicContact CG-CG1 4.16Å; L137-V149 HydrophobicContact CD1-CG1 3.6Å; L145-V149 HydrophobicContact CD2-CG2 3.64Å; L145-V149 WeakPolarHBondContact O-CB 3.38Å; L145-V149 VanDerWaalsContact O-CG2 3.29Å; L145-V149 WeakPolarHBondContact O-CG2 3.42Å; L145-V149 PolarHBondContact O-N 2.89Å; A146-V149 PolarHBondContact O-N 2.89Å; V149-Y151 VanDerWaalsContact C-N 3.26Å; V149-Y151 PolarHBondContact O-N 3.28Å; V149-V152 PolarHBondContact O-N 2.92Å; V149-V152 VanDerWaalsContact O-N 3.16Å; V149-F153 HydrophobicContact CG1-CD2 3.75Å; V149-F153 HydrophobicContact CG1-CE2 3.83Å; V149-F153 VanDerWaalsContact O-CD2 3.3Å; V149-F153 WeakPolarHBondContact O-CD2 3.44Å; V149-F153 PolarHBondContact O-N 3.49Å
150	E	87	Confident	87.1	Confident	37 Å²	37	68 Å²	68	17%	0.173	36%	0.357	C	S	.	.	H	α-helix	trans	-56.5	-42.1	176.6	-166.2	-170.5	157.1	0	0	111.4	P134 A146 F147 F153 Y154 F383 R389	P134-E150 HydrophobicContact CG-CB 3.87Å; A146-E150 WeakPolarHBondContact O-CB 3.29Å; A146-E150 PolarHBondContact O-N 3.12Å; F147-E150 PolarHBondContact O-N 3.15Å; E150-F153 PolarHBondContact O-N 3.48Å; E150-Y154 VanDerWaalsContact O-CB 3.27Å; E150-Y154 WeakPolarHBondContact O-CB 3.32Å; E150-Y154 PolarHBondContact O-N 3.29Å; E150-F383 HydrophobicContact CB-CE2 4.43Å; E150-F383 HydrophobicContact CB-CZ 3.91Å; E150-F383 HydrophobicContact CG-CE2 3.94Å; E150-F383 HydrophobicContact CG-CZ 3.75Å; E150-R389 IonicContact OE1-CZ 3.17Å; E150-R389 IonicContact OE1-NH1 3.89Å; E150-R389 PolarHBondContact OE1-NH1 3.49Å
151	Y	90	Very high	88.2	Confident	33 Å²	33	61.5 Å²	61.5	13%	0.129	33%	0.332	C	S	.	.	H	α-helix	trans	-58.2	-49.1	175.7	-167.1	-89.1	0	0	0	112.6	F147 F148 V149 Y154 V155 F380 F383	F147-Y151 WeakPolarHBondContact O-CB 2.75Å; F147-Y151 PolarHBondContact O-N 3Å; F148-Y151 WeakPolarHBondContact O-CB 3.46Å; F148-Y151 PolarHBondContact O-N 3.27Å; V149-Y151 VanDerWaalsContact C-N 3.26Å; V149-Y151 PolarHBondContact O-N 3.28Å; Y151-Y154 PolarHBondContact O-N 2.91Å; Y151-V155 HydrophobicContact CD1-CG2 4.24Å; Y151-V155 HydrophobicContact CE1-CG2 4Å; Y151-V155 WeakPolarHBondContact O-CG2 3.42Å; Y151-V155 PolarHBondContact O-N 3.42Å; Y151-F380 AromaticContact CE1-CD2 3.88Å; Y151-F380 HydrophobicContact CE1-CD2 3.88Å; Y151-F380 HydrophobicContact CE1-CE2 4.03Å; Y151-F380 AromaticContact CZ-CD2 3.76Å; Y151-F380 AromaticContact CZ-CE2 3.97Å; Y151-F380 WeakPolarHBondContact OH-CA 3.41Å; Y151-F380 WeakPolarHBondContact OH-CD2 3.49Å; Y151-F380 WeakPolarHBondContact OH-CE2 3.36Å; Y151-F380 WeakPolarHBondContact OH-CG 2.97Å; Y151-F380 PolarHBondContact OH-O 3.49Å; Y151-F383 HydrophobicContact CD2-CB 3.82Å; Y151-F383 AromaticContact CD2-CD1 3.16Å; Y151-F383 HydrophobicContact CD2-CD1 3.16Å; Y151-F383 HydrophobicContact CD2-CD2 4.28Å; Y151-F383 AromaticContact CD2-CE1 3.63Å; Y151-F383 HydrophobicContact CD2-CE1 3.63Å; Y151-F383 AromaticContact CD2-CG 3.49Å; Y151-F383 HydrophobicContact CD2-CG 3.49Å; Y151-F383 VanDerWaalsContact CD2-CG 3.49Å; Y151-F383 HydrophobicContact CD2-CZ 4.38Å; Y151-F383 HydrophobicContact CE2-CB 3.59Å; Y151-F383 AromaticContact CE2-CD1 3.72Å; Y151-F383 HydrophobicContact CE2-CD1 3.72Å; Y151-F383 AromaticContact CE2-CG 3.83Å; Y151-F383 HydrophobicContact CE2-CG 3.83Å; Y151-F383 HydrophobicContact CG-CD1 4.2Å; Y151-F383 HydrophobicContact CG-CE1 4.33Å; Y151-F383 HydrophobicContact CG-CG 4.42Å
152	V	91.7	Very high	89.3	Confident	68 Å²	68	54.7 Å²	54.7	41%	0.412	30%	0.301	S	S	.	.	H	α-helix	trans	-65	-45	-178.5	170.4	0	0	0	0	110.9	F148 V149 V155 F156	F148-V152 HydrophobicContact CD1-CG2 4.24Å; F148-V152 HydrophobicContact CE1-CG2 3.78Å; F148-V152 HydrophobicContact CE2-CG2 4.19Å; F148-V152 HydrophobicContact CZ-CG2 3.76Å; F148-V152 WeakPolarHBondContact O-CG2 3.38Å; F148-V152 PolarHBondContact O-N 3.43Å; V149-V152 PolarHBondContact O-N 2.92Å; V149-V152 VanDerWaalsContact O-N 3.16Å; V152-V155 PolarHBondContact O-N 2.87Å; V152-F156 WeakPolarHBondContact O-CB 3.21Å; V152-F156 PolarHBondContact O-N 2.91Å
153	F	91.2	Very high	90.3	Very high	57 Å²	57	50 Å²	50	25%	0.25	26%	0.262	C	S	.	.	H	α-helix	trans	-64.7	-40.8	177.6	-84.2	-81	0	0	0	112.1	W133 L137 V149 E150 F156 W157	W133-F153 HydrophobicContact CB-CB 4.07Å; W133-F153 HydrophobicContact CB-CD2 3.88Å; W133-F153 HydrophobicContact CB-CG 3.9Å; W133-F153 HydrophobicContact CD2-CB 4.26Å; W133-F153 AromaticContact CD2-CD1 3.71Å; W133-F153 HydrophobicContact CD2-CD1 3.71Å; W133-F153 HydrophobicContact CD2-CE1 4.19Å; W133-F153 AromaticContact CD2-CG 3.94Å; W133-F153 HydrophobicContact CD2-CG 3.94Å; W133-F153 AromaticContact CE3-CD1 3.77Å; W133-F153 HydrophobicContact CE3-CD1 3.77Å; W133-F153 AromaticContact CE3-CE1 3.75Å; W133-F153 HydrophobicContact CE3-CE1 3.75Å; W133-F153 HydrophobicContact CE3-CG 4.3Å; W133-F153 HydrophobicContact CE3-CZ 4.29Å; W133-F153 HydrophobicContact CG-CB 3.75Å; W133-F153 HydrophobicContact CG-CD1 4.05Å; W133-F153 HydrophobicContact CG-CD2 4.24Å; W133-F153 AromaticContact CG-CG 3.75Å; W133-F153 HydrophobicContact CG-CG 3.75Å; W133-F153 HydrophobicContact CZ3-CD1 4.3Å; W133-F153 HydrophobicContact CZ3-CE1 4.1Å; L137-F153 HydrophobicContact CD1-CE2 3.64Å; L137-F153 HydrophobicContact CD1-CZ 4.12Å; V149-F153 HydrophobicContact CG1-CD2 3.75Å; V149-F153 HydrophobicContact CG1-CE2 3.83Å; V149-F153 VanDerWaalsContact O-CD2 3.3Å; V149-F153 WeakPolarHBondContact O-CD2 3.44Å; V149-F153 PolarHBondContact O-N 3.49Å; E150-F153 PolarHBondContact O-N 3.48Å; F153-F156 PolarHBondContact O-N 2.87Å; F153-W157 WeakPolarHBondContact O-CB 3.39Å; F153-W157 VanDerWaalsContact O-CD1 3.23Å; F153-W157 PolarHBondContact O-N 2.72Å
154	Y	91.1	Very high	91	Very high	3 Å²	3	50.1 Å²	50.1	1%	0.012	26%	0.263	C	S	.	.	H	α-helix	trans	-58.8	-50.1	176.3	-177	-89.9	0	0	0	111.6	K98 E150 Y151 A158 A379 F383 R389	K98-Y154 HydrophobicContact CB-CD2 3.75Å; K98-Y154 HydrophobicContact CB-CE2 4.06Å; K98-Y154 HydrophobicContact CD-CD2 4.3Å; K98-Y154 HydrophobicContact CD-CE2 3.93Å; E150-Y154 VanDerWaalsContact O-CB 3.27Å; E150-Y154 WeakPolarHBondContact O-CB 3.32Å; E150-Y154 PolarHBondContact O-N 3.29Å; Y151-Y154 PolarHBondContact O-N 2.91Å; Y154-A158 VanDerWaalsContact O-CB 3.31Å; Y154-A158 WeakPolarHBondContact O-CB 3.32Å; Y154-A158 PolarHBondContact O-N 3.4Å; Y154-A379 HydrophobicContact CD1-CB 4.33Å; Y154-A379 HydrophobicContact CE1-CB 4.08Å; Y154-F383 HydrophobicContact CD1-CB 4.41Å; Y154-F383 AromaticContact CD1-CD2 3.81Å; Y154-F383 HydrophobicContact CD1-CD2 3.81Å; Y154-F383 HydrophobicContact CD2-CD2 4.11Å; Y154-F383 HydrophobicContact CD2-CE2 4.44Å; Y154-F383 HydrophobicContact CE1-CD2 4.49Å; Y154-F383 AromaticContact CG-CD2 3.61Å; Y154-F383 HydrophobicContact CG-CD2 3.61Å; Y154-F383 HydrophobicContact CG-CE2 4.09Å; Y154-R389 HydrophobicContact CE2-CG 3.88Å
155	V	92.5	Very high	91.5	Very high	18 Å²	18	46 Å²	46	11%	0.109	23%	0.228	C	C	.	.	H	α-helix	trans	-65.8	-41.7	178.9	174.4	0	0	0	0	111.2	Y151 V152 A158 I159 L376 A379	Y151-V155 HydrophobicContact CD1-CG2 4.24Å; Y151-V155 HydrophobicContact CE1-CG2 4Å; Y151-V155 WeakPolarHBondContact O-CG2 3.42Å; Y151-V155 PolarHBondContact O-N 3.42Å; V152-V155 PolarHBondContact O-N 2.87Å; V155-A158 PolarHBondContact O-N 2.75Å; V155-I159 HydrophobicContact CG1-CD1 3.67Å; V155-I159 HydrophobicContact CG1-CG1 4.42Å; V155-I159 WeakPolarHBondContact O-CB 3.28Å; V155-I159 WeakPolarHBondContact O-CG1 3.48Å; V155-I159 PolarHBondContact O-N 3.17Å; V155-L376 HydrophobicContact CG1-CD1 3.91Å; V155-A379 HydrophobicContact CG2-CB 4.04Å
156	F	93.9	Very high	91.9	Very high	120 Å²	120	42 Å²	42	53%	0.526	21%	0.208	S	C	.	.	H	α-helix	trans	-60.1	-50.8	178.6	174.1	-99.4	0	0	0	112	V152 F153 I159 S160	V152-F156 WeakPolarHBondContact O-CB 3.21Å; V152-F156 PolarHBondContact O-N 2.91Å; F153-F156 PolarHBondContact O-N 2.87Å; F156-I159 PolarHBondContact O-N 3.4Å; F156-S160 VanDerWaalsContact O-CB 3.27Å; F156-S160 WeakPolarHBondContact O-CB 3.27Å; F156-S160 PolarHBondContact O-N 3.13Å
157	W	93.8	Very high	92.4	Very high	53 Å²	53	45 Å²	45	20%	0.201	23%	0.225	C	C	.	.	H	α-helix	trans	-65.6	-40	178.8	-78.5	117.6	0	0	0	112.1	L97 K98 W133 F153 I159 S160 M161	L97-W157 HydrophobicContact CD1-CZ2 4.46Å; L97-W157 HydrophobicContact CD2-CD2 3.99Å; L97-W157 HydrophobicContact CD2-CE3 3.71Å; L97-W157 HydrophobicContact CD2-CH2 3.63Å; L97-W157 HydrophobicContact CD2-CZ2 3.92Å; L97-W157 HydrophobicContact CD2-CZ3 3.52Å; L97-W157 HydrophobicContact CG-CD2 4.18Å; L97-W157 HydrophobicContact CG-CE3 4.41Å; L97-W157 HydrophobicContact CG-CH2 4.33Å; L97-W157 HydrophobicContact CG-CZ2 4.11Å; L97-W157 HydrophobicContact CG-CZ3 4.48Å; K98-W157 HydrophobicContact CG-CB 3.97Å; W133-W157 AromaticContact CE2-NE1 3.5Å; W133-W157 AromaticContact CH2-CZ2 3.99Å; W133-W157 HydrophobicContact CH2-CZ2 3.99Å; W133-W157 AromaticContact CH2-NE1 3.65Å; W133-W157 AromaticContact CZ2-CD1 3.95Å; W133-W157 AromaticContact CZ2-CE2 3.75Å; W133-W157 HydrophobicContact CZ2-CZ2 4.02Å; W133-W157 AromaticContact CZ2-NE1 3.04Å; W133-W157 AromaticContact NE1-CD1 3.97Å; W133-W157 AromaticContact NE1-NE1 3.9Å; F153-W157 WeakPolarHBondContact O-CB 3.39Å; F153-W157 VanDerWaalsContact O-CD1 3.23Å; F153-W157 PolarHBondContact O-N 2.72Å; W157-I159 PolarHBondContact O-N 3.31Å; W157-S160 PolarHBondContact O-N 3.45Å; W157-M161 HydrophobicContact CE3-CE 3.66Å; W157-M161 HydrophobicContact CZ3-CE 3.69Å; W157-M161 WeakPolarHBondContact O-CB 3.23Å; W157-M161 VanDerWaalsContact O-CG 3.24Å; W157-M161 WeakPolarHBondContact O-CG 3.23Å; W157-M161 PolarHBondContact O-N 2.85Å
158	A	93.8	Very high	92.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-58.3	-46.6	175.2	0	0	0	0	0	112.2	Y154 V155 T162 S215 T375 A379	Y154-A158 VanDerWaalsContact O-CB 3.31Å; Y154-A158 WeakPolarHBondContact O-CB 3.32Å; Y154-A158 PolarHBondContact O-N 3.4Å; V155-A158 PolarHBondContact O-N 2.75Å; A158-T162 WeakPolarHBondContact O-CB 3.49Å; A158-T162 PolarHBondContact O-N 3.06Å; A158-T162 VanDerWaalsContact O-N 3.15Å; A158-T162 PolarHBondContact O-OG1 2.82Å; A158-T162 VanDerWaalsContact O-OG1 3.11Å; A158-S215 WeakPolarHBondContact CB-O 3.4Å; A158-S215 WeakPolarHBondContact O-CB 3.27Å; A158-T375 HydrophobicContact CB-CG2 4.27Å; A158-T375 WeakPolarHBondContact O-CG2 3.09Å; A158-A379 HydrophobicContact CB-CB 3.98Å
159	I	94.6	Very high	93	Very high	47 Å²	47	35.1 Å²	35.1	24%	0.241	18%	0.183	C	C	.	.	H	α-helix	trans	-68.1	-43.7	178.9	-72.8	172.2	0	0	0	111.6	V155 F156 W157 G163 F372 T375 L376	V155-I159 HydrophobicContact CG1-CD1 3.67Å; V155-I159 HydrophobicContact CG1-CG1 4.42Å; V155-I159 WeakPolarHBondContact O-CB 3.28Å; V155-I159 WeakPolarHBondContact O-CG1 3.48Å; V155-I159 PolarHBondContact O-N 3.17Å; F156-I159 PolarHBondContact O-N 3.4Å; W157-I159 PolarHBondContact O-N 3.31Å; I159-G163 PolarHBondContact O-N 3.45Å; I159-F372 HydrophobicContact CG2-CD1 3.81Å; I159-F372 HydrophobicContact CG2-CE1 3.76Å; I159-T375 HydrophobicContact CG1-CG2 4.33Å; I159-L376 HydrophobicContact CD1-CB 4.27Å; I159-L376 HydrophobicContact CD1-CD1 3.65Å
160	S	95.2	Very high	93.1	Very high	51 Å²	51	41.8 Å²	41.8	36%	0.357	21%	0.206	S	C	.	.	H	α-helix	trans	-60.6	-49.8	179.6	-180	0	0	0	0	111.4	F156 W157 G163 L164	F156-S160 VanDerWaalsContact O-CB 3.27Å; F156-S160 WeakPolarHBondContact O-CB 3.27Å; F156-S160 PolarHBondContact O-N 3.13Å; W157-S160 PolarHBondContact O-N 3.45Å; S160-G163 PolarHBondContact O-N 3.39Å; S160-L164 PolarHBondContact O-N 3.37Å
161	M	95.2	Very high	93.4	Very high	21 Å²	21	44.7 Å²	44.7	10%	0.103	23%	0.226	C	C	.	.	H	α-helix	trans	-65.1	-45.1	-178.9	-67.2	-56.6	-179.3	0	0	111.9	L97 W157 L164 A165 L211	L97-M161 HydrophobicContact CD2-CE 3.6Å; W157-M161 HydrophobicContact CE3-CE 3.66Å; W157-M161 HydrophobicContact CZ3-CE 3.69Å; W157-M161 WeakPolarHBondContact O-CB 3.23Å; W157-M161 VanDerWaalsContact O-CG 3.24Å; W157-M161 WeakPolarHBondContact O-CG 3.23Å; W157-M161 PolarHBondContact O-N 2.85Å; M161-L164 PolarHBondContact O-N 3.13Å; M161-A165 PolarHBondContact O-N 2.99Å; M161-L211 HydrophobicContact CB-CD2 4.34Å; M161-L211 HydrophobicContact CG-CD2 4.43Å; M161-L211 HydrophobicContact SD-CD2 3.37Å; M161-L211 WeakPolarHBondContact SD-CD2 3.13Å
162	T	94.6	Very high	93.5	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.006	24%	0.244	C	C	.	.	H	α-helix	trans	-66.5	-39.6	176.3	-58.8	0	0	0	0	111.9	A158 L164 A165 V166 S215 L217 V371 T375 V455	A158-T162 WeakPolarHBondContact O-CB 3.49Å; A158-T162 PolarHBondContact O-N 3.06Å; A158-T162 VanDerWaalsContact O-N 3.15Å; A158-T162 PolarHBondContact O-OG1 2.82Å; A158-T162 VanDerWaalsContact O-OG1 3.11Å; T162-L164 VanDerWaalsContact C-N 3.32Å; T162-L164 PolarHBondContact O-N 3Å; T162-A165 WeakPolarHBondContact O-CB 3.26Å; T162-A165 PolarHBondContact O-N 3.24Å; T162-V166 HydrophobicContact CG2-CG2 4.25Å; T162-V166 WeakPolarHBondContact O-CG2 3.41Å; T162-V166 PolarHBondContact O-N 3.06Å; T162-S215 WeakPolarHBondContact OG1-CB 3.26Å; T162-S215 PolarHBondContact OG1-OG 3.25Å; T162-L217 HydrophobicContact CG2-CD1 4.09Å; T162-V371 HydrophobicContact CG2-CG1 3.22Å; T162-T375 WeakPolarHBondContact CG2-OG1 3.48Å; T162-T375 WeakPolarHBondContact OG1-CG2 3.44Å; T162-V455 HydrophobicContact CG2-CG1 4.34Å
163	G	94.6	Very high	93.4	Very high	8 Å²	8	45.8 Å²	45.8	8%	0.082	23%	0.227	C	C	.	.	H	α-helix	trans	-57.6	-46.3	175.8	0	0	0	0	0	111.7	I159 S160 V166 V167	I159-G163 PolarHBondContact O-N 3.45Å; S160-G163 PolarHBondContact O-N 3.39Å; G163-V166 PolarHBondContact O-N 2.86Å; G163-V167 WeakPolarHBondContact O-CB 3.31Å; G163-V167 VanDerWaalsContact O-CG2 3.23Å; G163-V167 WeakPolarHBondContact O-CG2 3.48Å; G163-V167 PolarHBondContact O-N 3.21Å
164	L	95.2	Very high	93.3	Very high	86 Å²	86	46.9 Å²	46.9	45%	0.45	24%	0.24	S	C	.	.	H	α-helix	trans	-61.6	-45	174.7	-175.7	61.7	0	0	0	111.7	S160 M161 T162 V166 V167 L168 L211	S160-L164 PolarHBondContact O-N 3.37Å; M161-L164 PolarHBondContact O-N 3.13Å; T162-L164 VanDerWaalsContact C-N 3.32Å; T162-L164 PolarHBondContact O-N 3Å; L164-V166 PolarHBondContact O-N 3.43Å; L164-V167 PolarHBondContact O-N 3.46Å; L164-L168 HydrophobicContact CD1-CD1 4.41Å; L164-L168 HydrophobicContact CD1-CG 4.33Å; L164-L168 HydrophobicContact CG-CD1 4.14Å; L164-L168 HydrophobicContact CG-CG 4.49Å; L164-L168 WeakPolarHBondContact O-CB 3.11Å; L164-L168 VanDerWaalsContact O-CG 3.28Å; L164-L168 WeakPolarHBondContact O-CG 3.5Å; L164-L168 PolarHBondContact O-N 3.11Å; L164-L211 HydrophobicContact CB-CD1 4.17Å; L164-L211 HydrophobicContact CD2-CD1 3.74Å; L164-L211 HydrophobicContact CD2-CD2 4.09Å; L164-L211 HydrophobicContact CG-CD1 3.77Å
165	A	95	Very high	93.2	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-58	-47.5	178.3	0	0	0	0	0	112.2	M161 T162 L168 V169 L211 A212	M161-A165 PolarHBondContact O-N 2.99Å; T162-A165 WeakPolarHBondContact O-CB 3.26Å; T162-A165 PolarHBondContact O-N 3.24Å; A165-L168 PolarHBondContact O-N 3.46Å; A165-V169 WeakPolarHBondContact O-CG2 3.3Å; A165-V169 PolarHBondContact O-N 3.07Å; A165-L211 HydrophobicContact CB-CB 3.86Å; A165-L211 HydrophobicContact CB-CD1 4.37Å; A165-A212 HydrophobicContact CB-CB 4.49Å
166	V	94.1	Very high	93.1	Very high	4 Å²	4	51.4 Å²	51.4	2%	0.024	26%	0.256	C	S	.	.	H	α-helix	trans	-66	-41.8	179.8	176.1	0	0	0	0	111.7	T162 G163 L164 V169 R170 V368 V371 V455	T162-V166 HydrophobicContact CG2-CG2 4.25Å; T162-V166 WeakPolarHBondContact O-CG2 3.41Å; T162-V166 PolarHBondContact O-N 3.06Å; G163-V166 PolarHBondContact O-N 2.86Å; L164-V166 PolarHBondContact O-N 3.43Å; V166-V169 PolarHBondContact O-N 3.26Å; V166-R170 VanDerWaalsContact O-CB 3.26Å; V166-R170 WeakPolarHBondContact O-CB 3.12Å; V166-R170 PolarHBondContact O-N 3.18Å; V166-V368 HydrophobicContact CG1-CB 4.18Å; V166-V368 HydrophobicContact CG1-CG1 4.02Å; V166-V368 HydrophobicContact CG1-CG2 3.74Å; V166-V371 HydrophobicContact CG1-CG2 4.27Å; V166-V371 HydrophobicContact CG2-CB 3.65Å; V166-V371 HydrophobicContact CG2-CG1 3.45Å; V166-V371 VanDerWaalsContact CG2-CG1 3.45Å; V166-V371 HydrophobicContact CG2-CG2 3.53Å; V166-V455 HydrophobicContact CG2-CG1 3.36Å
167	V	93.8	Very high	92.9	Very high	74 Å²	74	47.4 Å²	47.4	45%	0.448	24%	0.242	S	C	.	.	H	α-helix	trans	-62.5	-45.9	178.3	169.9	0	0	0	0	110.2	G163 L164 V169 R170 V171	G163-V167 WeakPolarHBondContact O-CB 3.31Å; G163-V167 VanDerWaalsContact O-CG2 3.23Å; G163-V167 WeakPolarHBondContact O-CG2 3.48Å; G163-V167 PolarHBondContact O-N 3.21Å; L164-V167 PolarHBondContact O-N 3.46Å; V167-V169 PolarHBondContact O-N 3.08Å; V167-R170 PolarHBondContact O-N 3.23Å; V167-V171 HydrophobicContact CG1-CG2 4.18Å; V167-V171 WeakPolarHBondContact O-CB 3.13Å; V167-V171 VanDerWaalsContact O-CG2 3.27Å; V167-V171 WeakPolarHBondContact O-CG2 3.41Å; V167-V171 PolarHBondContact O-N 3.05Å
168	L	94	Very high	92.7	Very high	32 Å²	32	45.8 Å²	45.8	17%	0.168	24%	0.242	C	C	.	.	H	α-helix	trans	-59	-46.9	177.3	-72.3	174.1	0	0	0	111.9	L164 A165 F172 I204 V207 L211	L164-L168 HydrophobicContact CD1-CD1 4.41Å; L164-L168 HydrophobicContact CD1-CG 4.33Å; L164-L168 HydrophobicContact CG-CD1 4.14Å; L164-L168 HydrophobicContact CG-CG 4.49Å; L164-L168 WeakPolarHBondContact O-CB 3.11Å; L164-L168 VanDerWaalsContact O-CG 3.28Å; L164-L168 WeakPolarHBondContact O-CG 3.5Å; L164-L168 PolarHBondContact O-N 3.11Å; A165-L168 PolarHBondContact O-N 3.46Å; L168-F172 HydrophobicContact CD2-CD2 3.94Å; L168-F172 HydrophobicContact CD2-CE2 3.87Å; L168-F172 WeakPolarHBondContact O-CB 3.09Å; L168-F172 PolarHBondContact O-N 3.26Å; L168-I204 HydrophobicContact CB-CG2 4.21Å; L168-I204 HydrophobicContact CD2-CD1 4.46Å; L168-V207 HydrophobicContact CD1-CG1 3.8Å; L168-L211 HydrophobicContact CD1-CD1 3.94Å
169	V	92.9	Very high	92.5	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.018	24%	0.244	C	C	.	.	H	α-helix	trans	-64.8	-44.8	179.4	173	0	0	0	0	111.3	A165 V166 V167 A173 P174 A176 C177 I204	A165-V169 WeakPolarHBondContact O-CG2 3.3Å; A165-V169 PolarHBondContact O-N 3.07Å; V166-V169 PolarHBondContact O-N 3.26Å; V167-V169 PolarHBondContact O-N 3.08Å; V169-A173 CarbonylContact O-C 3.53Å; V169-A173 PolarHBondContact O-N 3.43Å; V169-A173 VanDerWaalsContact O-O 3.11Å; V169-P174 WeakPolarHBondContact O-CA 3.22Å; V169-P174 VanDerWaalsContact O-N 3.14Å; V169-A176 HydrophobicContact CG1-CB 4.38Å; V169-A176 HydrophobicContact CG2-CB 4.28Å; V169-C177 WeakPolarHBondContact CG1-SG 3.46Å; V169-I204 HydrophobicContact CG2-CG2 4.19Å
170	R	91.9	Very high	92.3	Very high	161 Å²	161	43.9 Å²	43.9	61%	0.608	23%	0.233	S	C	*	.	H	α-helix	trans	-67.8	-40.3	-178.5	-175.6	179.2	177.3	144.3	2.9	112.7	V166 V167	V166-R170 VanDerWaalsContact O-CB 3.26Å; V166-R170 WeakPolarHBondContact O-CB 3.12Å; V166-R170 PolarHBondContact O-N 3.18Å; V167-R170 PolarHBondContact O-N 3.23Å
171	V	91.8	Very high	92	Very high	99 Å²	99	41.8 Å²	41.8	60%	0.6	22%	0.218	S	C	*	.	H	α-helix	trans	-82.9	-44.6	-173.3	174.8	0	0	0	0	111.8	V167	V167-V171 HydrophobicContact CG1-CG2 4.18Å; V167-V171 WeakPolarHBondContact O-CB 3.13Å; V167-V171 VanDerWaalsContact O-CG2 3.27Å; V167-V171 WeakPolarHBondContact O-CG2 3.41Å; V167-V171 PolarHBondContact O-N 3.05Å
172	F	92.2	Very high	91.7	Very high	118 Å²	118	41.2 Å²	41.2	52%	0.518	22%	0.216	S	C	.	.	H	α-helix	trans	-101.9	-38.9	-169.2	-65.7	-76	0	0	0	114.3	L168 I204	L168-F172 HydrophobicContact CD2-CD2 3.94Å; L168-F172 HydrophobicContact CD2-CE2 3.87Å; L168-F172 WeakPolarHBondContact O-CB 3.09Å; L168-F172 PolarHBondContact O-N 3.26Å; F172-I204 HydrophobicContact CB-CD1 3.57Å; F172-I204 HydrophobicContact CB-CG1 3.65Å; F172-I204 HydrophobicContact CD2-CD1 3.93Å; F172-I204 HydrophobicContact CG-CD1 3.91Å
173	A	89.8	Confident	91.4	Very high	5 Å²	5	42.1 Å²	42.1	4%	0.041	22%	0.22	C	C	.	.			trans	-153	85.7	-173.2	0	0	0	0	0	112.6	V169 Y175 A176 I204	V169-A173 CarbonylContact O-C 3.53Å; V169-A173 PolarHBondContact O-N 3.43Å; V169-A173 VanDerWaalsContact O-O 3.11Å; A173-Y175 PolarHBondContact O-N 2.96Å; A173-Y175 VanDerWaalsContact O-N 3.17Å; A173-A176 HydrophobicContact CB-CB 4.33Å; A173-A176 WeakPolarHBondContact O-CB 3.39Å; A173-A176 PolarHBondContact O-N 3.06Å; A173-I204 HydrophobicContact CB-CB 3.91Å; A173-I204 HydrophobicContact CB-CG1 4.02Å; A173-I204 HydrophobicContact CB-CG2 4.09Å
174	P	88.9	Confident	91.3	Very high	81 Å²	81	42.1 Å²	42.1	53%	0.526	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-62.8	-25.7	-178.9	23.7	-34.1	0	0	0	113.2	V169 A176 C177	V169-P174 WeakPolarHBondContact O-CA 3.22Å; V169-P174 VanDerWaalsContact O-N 3.14Å; P174-A176 PolarHBondContact O-N 3.44Å; P174-C177 PolarHBondContact O-N 2.97Å; P174-C177 PolarHBondContact O-SG 3.33Å
175	Y	89.1	Confident	90.9	Very high	116 Å²	116	38.4 Å²	38.4	46%	0.455	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-67.4	-8.5	174	-64.7	-61.6	0	0	0	114.2	A173 C177 I193 Y196	A173-Y175 PolarHBondContact O-N 2.96Å; A173-Y175 VanDerWaalsContact O-N 3.17Å; Y175-C177 VanDerWaalsContact C-N 3.27Å; Y175-C177 PolarHBondContact O-N 3.19Å; Y175-I193 HydrophobicContact CE1-CG2 4.47Å; Y175-Y196 AromaticContact CD1-CD2 3.82Å; Y175-Y196 HydrophobicContact CD1-CD2 3.82Å; Y175-Y196 HydrophobicContact CD1-CE2 4.46Å; Y175-Y196 HydrophobicContact CG-CD2 4.09Å
176	A	90.4	Very high	90.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-75.7	-12.6	176.5	0	0	0	0	0	113.6	V169 A173 P174 T201 I204 K205	V169-A176 HydrophobicContact CG1-CB 4.38Å; V169-A176 HydrophobicContact CG2-CB 4.28Å; A173-A176 HydrophobicContact CB-CB 4.33Å; A173-A176 WeakPolarHBondContact O-CB 3.39Å; A173-A176 PolarHBondContact O-N 3.06Å; P174-A176 PolarHBondContact O-N 3.44Å; A176-T201 HydrophobicContact CB-CG2 4.19Å; A176-I204 HydrophobicContact CB-CG2 4.25Å; A176-K205 HydrophobicContact CB-CB 3.86Å; A176-K205 HydrophobicContact CB-CG 4.37Å; A176-K205 PolarHBondContact O-NZ 3.41Å
177	C	91	Very high	90.3	Very high	35 Å²	35	38.8 Å²	38.8	24%	0.236	20%	0.2	C	C	.	.			trans	-59	150.8	179.1	-62.6	0	0	0	0	113.1	V169 P174 Y175	V169-C177 WeakPolarHBondContact CG1-SG 3.46Å; P174-C177 PolarHBondContact O-N 2.97Å; P174-C177 PolarHBondContact O-SG 3.33Å; Y175-C177 VanDerWaalsContact C-N 3.27Å; Y175-C177 PolarHBondContact O-N 3.19Å
178	G	89.5	Confident	90	Very high	20 Å²	20	35.5 Å²	35.5	21%	0.206	18%	0.18	C	C	.	.	S	Bend	trans	70.2	-168.3	170.9	0	0	0	0	0	114.9	K205 V455 S457	G178-K205 PolarHBondContact O-NZ 3.43Å; G178-V455 PolarHBondContact N-O 3.3Å; G178-S457 CarbonylContact C-O 3.54Å; G178-S457 VanDerWaalsContact C-O 3.28Å; G178-S457 PolarHBondContact O-N 3.41Å
179	S	88.8	Confident	89.5	Confident	6 Å²	6	34.2 Å²	34.2	4%	0.042	17%	0.174	C	C	.	.			trans	-70.9	-51	-178.5	179.4	0	0	0	0	110.8	K205 G223 P224 S457	S179-K205 PolarHBondContact O-NZ 2.96Å; S179-G223 WeakPolarHBondContact OG-CA 3.39Å; S179-P224 WeakPolarHBondContact O-CA 3.16Å; S179-S457 WeakPolarHBondContact CA-O 3.39Å; S179-S457 WeakPolarHBondContact CB-O 3.42Å; S179-S457 PolarHBondContact N-O 3.17Å
180	G	90.3	Very high	88.8	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.01	18%	0.175	C	C	.	.	S	Bend	trans	96	-6.3	-178.6	0	0	0	0	0	115.2	E183 I184 Y196	G180-E183 VanDerWaalsContact CA-OE2 3.3Å; G180-E183 WeakPolarHBondContact CA-OE2 3.44Å; G180-E183 PolarHBondContact O-N 3Å; G180-I184 VanDerWaalsContact O-CD1 3.3Å; G180-I184 WeakPolarHBondContact O-CD1 3.24Å; G180-I184 WeakPolarHBondContact O-CG1 3.39Å; G180-I184 PolarHBondContact O-N 2.87Å; G180-Y196 WeakPolarHBondContact CA-OH 3.4Å
181	I	89.3	Confident	88.4	Confident	7 Å²	7	26.6 Å²	26.6	4%	0.036	15%	0.146	C	C	.	.	H	α-helix	trans	-62.6	-46.4	173.4	-63.5	176.7	0	0	0	112.4	E183 I184 K185 V226 F275 F460 Y565	I181-E183 VanDerWaalsContact C-N 3.26Å; I181-E183 PolarHBondContact O-N 3.03Å; I181-I184 PolarHBondContact O-N 3.18Å; I181-I184 VanDerWaalsContact O-N 3.13Å; I181-K185 WeakPolarHBondContact O-CB 3.34Å; I181-K185 PolarHBondContact O-N 3.04Å; I181-V226 HydrophobicContact CD1-CG2 4.47Å; I181-V226 HydrophobicContact CG1-CB 4.4Å; I181-F275 HydrophobicContact CD1-CZ 4.25Å; I181-F460 HydrophobicContact CD1-CE2 3.24Å; I181-F460 HydrophobicContact CD1-CZ 3.4Å; I181-Y565 HydrophobicContact CB-CE1 4.42Å; I181-Y565 HydrophobicContact CD1-CE2 4.38Å; I181-Y565 HydrophobicContact CG2-CD2 4.12Å; I181-Y565 HydrophobicContact CG2-CE2 4.25Å; I181-Y565 HydrophobicContact CG2-CG 4.28Å
182	P	87.9	Confident	88	Confident	9 Å²	9	24 Å²	24	6%	0.058	13%	0.128	C	C	.	.	H	α-helix	trans	-51.4	-44.7	175.2	-31.8	39.2	0	0	0	113.2	C186 Y565 H568 I569	P182-C186 PolarHBondContact O-N 2.91Å; P182-C186 VanDerWaalsContact O-N 3.09Å; P182-C186 PolarHBondContact O-SG 3.28Å; P182-Y565 HydrophobicContact CG-CD1 3.78Å; P182-Y565 HydrophobicContact CG-CG 4.4Å; P182-H568 HydrophobicContact CG-CB 4.39Å; P182-I569 HydrophobicContact CB-CD1 4.44Å; P182-I569 HydrophobicContact CB-CG1 3.74Å
183	E	89.8	Confident	87.7	Confident	20 Å²	20	19.7 Å²	19.7	9%	0.093	11%	0.11	C	C	.	.	H	α-helix	trans	-72.2	-39.2	179.2	-67.3	82.8	179.2	0	0	112.6	G180 I181 K185 C186 I187 I193 Y196 Y574	G180-E183 VanDerWaalsContact CA-OE2 3.3Å; G180-E183 WeakPolarHBondContact CA-OE2 3.44Å; G180-E183 PolarHBondContact O-N 3Å; I181-E183 VanDerWaalsContact C-N 3.26Å; I181-E183 PolarHBondContact O-N 3.03Å; E183-K185 VanDerWaalsContact C-N 3.31Å; E183-K185 PolarHBondContact O-N 3.28Å; E183-C186 WeakPolarHBondContact O-CB 3.46Å; E183-C186 PolarHBondContact O-N 3.36Å; E183-I187 VanDerWaalsContact O-CG1 3.26Å; E183-I187 WeakPolarHBondContact O-CG1 3.06Å; E183-I187 PolarHBondContact O-N 3.46Å; E183-I193 HydrophobicContact CB-CD1 4.11Å; E183-I193 HydrophobicContact CG-CD1 4.18Å; E183-Y196 HydrophobicContact CB-CD1 4.18Å; E183-Y196 HydrophobicContact CB-CD2 4.47Å; E183-Y196 HydrophobicContact CB-CE1 3.46Å; E183-Y196 VanDerWaalsContact CB-CE1 3.46Å; E183-Y196 HydrophobicContact CB-CE2 3.83Å; E183-Y196 WeakPolarHBondContact CB-OH 3.36Å; E183-Y196 HydrophobicContact CG-CD2 4.4Å; E183-Y196 HydrophobicContact CG-CE1 4.23Å; E183-Y196 HydrophobicContact CG-CE2 3.63Å; E183-Y196 PolarHBondContact OE2-OH 3.16Å; E183-Y574 HydrophobicContact CG-CE2 3.72Å; E183-Y574 WeakPolarHBondContact OE1-CE2 3.4Å; E183-Y574 PolarHBondContact OE1-OH 3.01Å; E183-Y574 VanDerWaalsContact OE1-OH 3.05Å
184	I	91	Very high	87.3	Confident	7 Å²	7	28 Å²	28	4%	0.036	14%	0.14	C	C	.	.	H	α-helix	trans	-61.7	-42.1	174.5	-69.2	160.7	0	0	0	110.3	G180 I181 C186 I187 L188 V226 H227 C230	G180-I184 VanDerWaalsContact O-CD1 3.3Å; G180-I184 WeakPolarHBondContact O-CD1 3.24Å; G180-I184 WeakPolarHBondContact O-CG1 3.39Å; G180-I184 PolarHBondContact O-N 2.87Å; I181-I184 PolarHBondContact O-N 3.18Å; I181-I184 VanDerWaalsContact O-N 3.13Å; I184-C186 VanDerWaalsContact C-N 3.35Å; I184-C186 PolarHBondContact O-N 2.82Å; I184-I187 PolarHBondContact O-N 2.92Å; I184-I187 VanDerWaalsContact O-N 3.14Å; I184-L188 HydrophobicContact CG2-CD1 3.73Å; I184-L188 HydrophobicContact CG2-CG 4.28Å; I184-L188 WeakPolarHBondContact O-CB 3.32Å; I184-L188 WeakPolarHBondContact O-CG 3.21Å; I184-L188 PolarHBondContact O-N 3.46Å; I184-V226 HydrophobicContact CD1-CG1 4.15Å; I184-H227 HydrophobicContact CD1-CB 3.85Å; I184-C230 HydrophobicContact CD1-CB 4.23Å; I184-C230 HydrophobicContact CG1-CB 4.43Å
185	K	88	Confident	87.1	Confident	9 Å²	9	26.5 Å²	26.5	4%	0.039	14%	0.139	C	C	.	.	H	α-helix	trans	-59.2	-45	174.9	-166.2	178.4	-170.8	177.9	0	111.2	I181 E183 I187 L188 S189 E279 D521 D566 I569 F576	I181-K185 WeakPolarHBondContact O-CB 3.34Å; I181-K185 PolarHBondContact O-N 3.04Å; E183-K185 VanDerWaalsContact C-N 3.31Å; E183-K185 PolarHBondContact O-N 3.28Å; K185-I187 PolarHBondContact O-N 2.85Å; K185-L188 PolarHBondContact O-N 2.85Å; K185-S189 WeakPolarHBondContact O-CB 3.47Å; K185-S189 PolarHBondContact O-N 3.36Å; K185-E279 WeakPolarHBondContact CD-OE1 3.28Å; K185-E279 WeakPolarHBondContact CE-OE1 3.48Å; K185-E279 IonicContact NZ-OE1 2.87Å; K185-E279 PolarHBondContact NZ-OE1 3.41Å; K185-D521 VanDerWaalsContact NZ-CG 3.32Å; K185-D521 IonicContact NZ-OD2 2.66Å; K185-D521 PolarHBondContact NZ-OD2 2.6Å; K185-D566 IonicContact NZ-OD1 3.96Å; K185-D566 PolarHBondContact NZ-OD1 3.24Å; K185-D566 IonicContact NZ-OD2 3.97Å; K185-D566 PolarHBondContact NZ-OD2 3.38Å; K185-I569 HydrophobicContact CB-CD1 4.27Å; K185-I569 HydrophobicContact CD-CD1 3.8Å; K185-I569 HydrophobicContact CG-CD1 4.35Å; K185-F576 HydrophobicContact CD-CE1 4.35Å; K185-F576 HydrophobicContact CD-CE2 4.22Å; K185-F576 HydrophobicContact CD-CZ 3.9Å; K185-F576 VanDerWaalsContact CE-CZ 3.41Å; K185-F576 HydrophobicContact CG-CE2 3.75Å; K185-F576 HydrophobicContact CG-CZ 3.9Å
186	C	87.2	Confident	87.1	Confident	2 Å²	2	21.1 Å²	21.1	1%	0.014	12%	0.118	C	C	.	.	H	α-helix	trans	-61.5	-42.1	173.2	-66.1	0	0	0	0	112.4	P182 E183 I184 S189 G190 F191	P182-C186 PolarHBondContact O-N 2.91Å; P182-C186 VanDerWaalsContact O-N 3.09Å; P182-C186 PolarHBondContact O-SG 3.28Å; E183-C186 WeakPolarHBondContact O-CB 3.46Å; E183-C186 PolarHBondContact O-N 3.36Å; I184-C186 VanDerWaalsContact C-N 3.35Å; I184-C186 PolarHBondContact O-N 2.82Å; C186-S189 PolarHBondContact O-N 3.36Å; C186-G190 PolarHBondContact O-N 2.66Å; C186-F191 WeakPolarHBondContact O-CB 3.38Å; C186-F191 PolarHBondContact O-N 2.83Å
187	I	89.3	Confident	87.2	Confident	9 Å²	9	21.9 Å²	21.9	5%	0.046	12%	0.122	C	C	.	.	H	α-helix	trans	-64.4	-47.2	179.3	-70.2	165.8	0	0	0	110.8	E183 I184 K185 S189 G190 F191 I193 Y196 L197 R251 L254	E183-I187 VanDerWaalsContact O-CG1 3.26Å; E183-I187 WeakPolarHBondContact O-CG1 3.06Å; E183-I187 PolarHBondContact O-N 3.46Å; I184-I187 PolarHBondContact O-N 2.92Å; I184-I187 VanDerWaalsContact O-N 3.14Å; K185-I187 PolarHBondContact O-N 2.85Å; I187-S189 VanDerWaalsContact C-N 3.32Å; I187-S189 PolarHBondContact O-N 2.86Å; I187-G190 PolarHBondContact O-N 3.29Å; I187-F191 VanDerWaalsContact CA-O 3.27Å; I187-F191 WeakPolarHBondContact CA-O 3.3Å; I187-I193 HydrophobicContact CD1-CG1 4.5Å; I187-I193 HydrophobicContact CG1-CD1 4.35Å; I187-I193 HydrophobicContact CG1-CG1 4.17Å; I187-Y196 HydrophobicContact CD1-CD1 3.75Å; I187-Y196 HydrophobicContact CD1-CE1 4.48Å; I187-Y196 HydrophobicContact CD1-CG 4.41Å; I187-L197 HydrophobicContact CD1-CD1 4.2Å; I187-L197 HydrophobicContact CD1-CG 4.17Å; I187-L197 HydrophobicContact CG2-CD1 4.49Å; I187-R251 VanDerWaalsContact O-CZ 3.23Å; I187-R251 PolarHBondContact O-NE 2.92Å; I187-R251 PolarHBondContact O-NH2 2.87Å; I187-L254 HydrophobicContact CG2-CD1 4.16Å
188	L	88.3	Confident	87.1	Confident	5 Å²	5	21.2 Å²	21.2	3%	0.026	12%	0.121	C	C	.	.	H	α-helix	trans	-68.9	-28.8	-179.9	-69.9	172.6	0	0	0	112.6	I184 K185 G190 R251 L254 A280	I184-L188 HydrophobicContact CG2-CD1 3.73Å; I184-L188 HydrophobicContact CG2-CG 4.28Å; I184-L188 WeakPolarHBondContact O-CB 3.32Å; I184-L188 WeakPolarHBondContact O-CG 3.21Å; I184-L188 PolarHBondContact O-N 3.46Å; K185-L188 PolarHBondContact O-N 2.85Å; L188-G190 PolarHBondContact O-N 3Å; L188-R251 HydrophobicContact CD2-CB 4.13Å; L188-R251 HydrophobicContact CD2-CG 4.12Å; L188-L254 HydrophobicContact CD2-CB 3.92Å; L188-A280 WeakPolarHBondContact CB-O 3.3Å; L188-A280 HydrophobicContact CD1-CB 3.53Å; L188-A280 WeakPolarHBondContact CD1-O 3.35Å
189	S	81.5	Confident	87.4	Confident	5 Å²	5	26.9 Å²	26.9	4%	0.035	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-8.6	168.9	-174	0	0	0	0	113.8	K185 C186 I187 K734	K185-S189 WeakPolarHBondContact O-CB 3.47Å; K185-S189 PolarHBondContact O-N 3.36Å; C186-S189 PolarHBondContact O-N 3.36Å; I187-S189 VanDerWaalsContact C-N 3.32Å; I187-S189 PolarHBondContact O-N 2.86Å; S189-K734 PolarHBondContact O-NZ 3.48Å; S189-K734 PolarHBondContact OG-NZ 3.29Å
190	G	79.7	Confident	87.6	Confident	4 Å²	4	33.8 Å²	33.8	4%	0.041	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	110.4	10.1	171.5	0	0	0	0	0	115.2	T31 I32 C186 I187 L188	T31-G190 WeakPolarHBondContact CA-O 3.34Å; I32-G190 PolarHBondContact N-O 3.13Å; C186-G190 PolarHBondContact O-N 2.66Å; I187-G190 PolarHBondContact O-N 3.29Å; L188-G190 PolarHBondContact O-N 3Å
191	F	82.7	Confident	87.8	Confident	1 Å²	1	34 Å²	34	0%	0.004	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	154	170.3	-63.5	-84.1	0	0	0	111	F29 H30 T31 C186 I187 R251 P575 K734 L738	F29-F191 HydrophobicContact CB-CD1 4.16Å; H30-F191 CarbonylContact O-C 3.26Å; H30-F191 WeakPolarHBondContact O-CA 3.4Å; T31-F191 HydrophobicContact CG2-CD1 3.58Å; T31-F191 HydrophobicContact CG2-CE1 3.28Å; T31-F191 HydrophobicContact CG2-CZ 4.01Å; C186-F191 WeakPolarHBondContact O-CB 3.38Å; C186-F191 PolarHBondContact O-N 2.83Å; I187-F191 VanDerWaalsContact CA-O 3.27Å; I187-F191 WeakPolarHBondContact CA-O 3.3Å; F191-R251 PolarHBondContact O-NH2 2.93Å; F191-P575 HydrophobicContact CD1-CB 4.16Å; F191-P575 HydrophobicContact CD1-CG 3.59Å; F191-P575 HydrophobicContact CD2-CG 4.43Å; F191-P575 WeakPolarHBondContact CD2-O 3.31Å; F191-P575 HydrophobicContact CE1-CB 3.54Å; F191-P575 HydrophobicContact CE1-CG 3.49Å; F191-P575 VanDerWaalsContact CE1-CG 3.49Å; F191-P575 HydrophobicContact CE2-CB 4.12Å; F191-P575 HydrophobicContact CE2-CG 4.36Å; F191-P575 WeakPolarHBondContact CE2-O 3.44Å; F191-P575 HydrophobicContact CG-CG 4.07Å; F191-P575 HydrophobicContact CZ-CB 3.52Å; F191-P575 HydrophobicContact CZ-CG 3.9Å; F191-P575 WeakPolarHBondContact CZ-O 3.33Å; F191-K734 HydrophobicContact CE1-CD 4.38Å; F191-K734 HydrophobicContact CE2-CD 3.98Å; F191-K734 VanDerWaalsContact CE2-CE 3.45Å; F191-K734 VanDerWaalsContact CE2-NZ 3.26Å; F191-K734 HydrophobicContact CZ-CD 3.54Å; F191-K734 HydrophobicContact CZ-CG 4.1Å; F191-L738 HydrophobicContact CZ-CD1 4.14Å
192	I	83.7	Confident	88.1	Confident	45 Å²	45	34.7 Å²	34.7	23%	0.231	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	117.5	177.2	-57.5	176.9	0	0	0	109.1	H30 I32 E247	H30-I192 PolarHBondContact O-N 3.04Å; I32-I192 HydrophobicContact CD1-CD1 3.78Å; I32-I192 HydrophobicContact CD1-CG1 3.65Å; I32-I192 HydrophobicContact CG1-CD1 3.62Å; I32-I192 HydrophobicContact CG1-CG1 3.95Å; I192-E247 HydrophobicContact CD1-CG 4.13Å
193	I	85	Confident	88.5	Confident	26 Å²	26	39 Å²	39	13%	0.133	19%	0.192	C	C	.	.			trans	-100.3	109.8	170.6	-48.2	-178.6	0	0	0	108	F29 Y175 E183 I187 Y196	F29-I193 HydrophobicContact CD1-CG1 4.25Å; F29-I193 HydrophobicContact CE1-CD1 4.19Å; F29-I193 HydrophobicContact CE1-CG1 3.93Å; Y175-I193 HydrophobicContact CE1-CG2 4.47Å; E183-I193 HydrophobicContact CB-CD1 4.11Å; E183-I193 HydrophobicContact CG-CD1 4.18Å; I187-I193 HydrophobicContact CD1-CG1 4.5Å; I187-I193 HydrophobicContact CG1-CD1 4.35Å; I187-I193 HydrophobicContact CG1-CG1 4.17Å; I193-Y196 HydrophobicContact CB-CG 4.47Å; I193-Y196 HydrophobicContact CG2-CD2 4.36Å; I193-Y196 HydrophobicContact CG2-CG 4.34Å
194	R	82	Confident	88.7	Confident	180 Å²	180	38.8 Å²	38.8	68%	0.679	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.2	135.9	-176.9	-64.4	-173.9	-175.4	-176.6	6.6	110.3	H30 Y196	H30-R194 PolarHBondContact NE2-NH2 3.3Å; R194-Y196 PolarHBondContact O-N 3.29Å
195	G	83.7	Confident	89	Confident	49 Å²	49	38.5 Å²	38.5	51%	0.505	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.3	-14.6	178	0	0	0	0	0	115.5	G198 T201	G195-G198 PolarHBondContact O-N 3.46Å; G195-T201 PolarHBondContact O-OG1 3.06Å
196	Y	90.3	Very high	89.4	Confident	4 Å²	4	39.2 Å²	39.2	2%	0.016	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-53.4	-178.4	-165.5	-100.2	0	0	0	112.1	Y175 G180 E183 I187 I193 R194 G198 T201 H227	Y175-Y196 AromaticContact CD1-CD2 3.82Å; Y175-Y196 HydrophobicContact CD1-CD2 3.82Å; Y175-Y196 HydrophobicContact CD1-CE2 4.46Å; Y175-Y196 HydrophobicContact CG-CD2 4.09Å; G180-Y196 WeakPolarHBondContact CA-OH 3.4Å; E183-Y196 HydrophobicContact CB-CD1 4.18Å; E183-Y196 HydrophobicContact CB-CD2 4.47Å; E183-Y196 HydrophobicContact CB-CE1 3.46Å; E183-Y196 VanDerWaalsContact CB-CE1 3.46Å; E183-Y196 HydrophobicContact CB-CE2 3.83Å; E183-Y196 WeakPolarHBondContact CB-OH 3.36Å; E183-Y196 HydrophobicContact CG-CD2 4.4Å; E183-Y196 HydrophobicContact CG-CE1 4.23Å; E183-Y196 HydrophobicContact CG-CE2 3.63Å; E183-Y196 PolarHBondContact OE2-OH 3.16Å; I187-Y196 HydrophobicContact CD1-CD1 3.75Å; I187-Y196 HydrophobicContact CD1-CE1 4.48Å; I187-Y196 HydrophobicContact CD1-CG 4.41Å; I193-Y196 HydrophobicContact CB-CG 4.47Å; I193-Y196 HydrophobicContact CG2-CD2 4.36Å; I193-Y196 HydrophobicContact CG2-CG 4.34Å; R194-Y196 PolarHBondContact O-N 3.29Å; Y196-G198 PolarHBondContact O-N 3Å; Y196-G198 VanDerWaalsContact O-N 3.08Å; Y196-T201 VanDerWaalsContact O-CB 3.32Å; Y196-T201 WeakPolarHBondContact O-CB 3.48Å; Y196-T201 WeakPolarHBondContact O-CG2 3.48Å; Y196-T201 PolarHBondContact O-OG1 3.42Å; Y196-T201 VanDerWaalsContact O-OG1 3.07Å; Y196-H227 AromaticContact CD1-CE1 3.81Å; Y196-H227 AromaticContact CD1-NE2 3.46Å; Y196-H227 WeakPolarHBondContact CD1-NE2 3.41Å; Y196-H227 AromaticContact CE1-CD2 3.78Å; Y196-H227 AromaticContact CE1-CE1 3.17Å; Y196-H227 WeakPolarHBondContact CE1-CE1 3.33Å; Y196-H227 AromaticContact CE1-ND1 3.79Å; Y196-H227 AromaticContact CE1-NE2 3.13Å; Y196-H227 WeakPolarHBondContact CE1-NE2 3.47Å; Y196-H227 AromaticContact CE2-CE1 3.95Å; Y196-H227 AromaticContact CZ-CE1 3.22Å; Y196-H227 AromaticContact CZ-ND1 3.74Å; Y196-H227 AromaticContact CZ-NE2 3.73Å; Y196-H227 PolarHBondContact OH-CE1 3.37Å; Y196-H227 PolarHBondContact OH-ND1 3.11Å
197	L	91.7	Very high	89.8	Confident	16 Å²	16	42.4 Å²	42.4	8%	0.084	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	29.8	177.8	-57.8	175.4	0	0	0	113.5	I187 C230 N234 L254	I187-L197 HydrophobicContact CD1-CD1 4.2Å; I187-L197 HydrophobicContact CD1-CG 4.17Å; I187-L197 HydrophobicContact CG2-CD1 4.49Å; L197-C230 HydrophobicContact CD2-CB 3.93Å; L197-N234 HydrophobicContact CB-CB 3.7Å; L197-N234 HydrophobicContact CD1-CB 4.1Å; L197-N234 HydrophobicContact CG-CB 4.5Å; L197-N234 PolarHBondContact O-ND2 3.3Å; L197-L254 HydrophobicContact CD1-CD1 3.86Å; L197-L254 HydrophobicContact CD1-CD2 3.94Å
198	G	90.5	Very high	90.1	Very high	20 Å²	20	42 Å²	42	21%	0.206	21%	0.213	C	C	.	.			trans	-77.5	158.5	-174.8	0	0	0	0	0	114.1	G195 Y196 W200 T201 L202	G195-G198 PolarHBondContact O-N 3.46Å; Y196-G198 PolarHBondContact O-N 3Å; Y196-G198 VanDerWaalsContact O-N 3.08Å; G198-W200 VanDerWaalsContact C-N 3.29Å; G198-W200 PolarHBondContact O-N 2.92Å; G198-T201 WeakPolarHBondContact O-CB 3.31Å; G198-T201 PolarHBondContact O-N 3.4Å; G198-L202 PolarHBondContact O-N 3.08Å
199	K	94	Very high	90.4	Very high	139 Å²	139	41.7 Å²	41.7	60%	0.604	21%	0.212	S	C	*	.	H	α-helix	trans	-61.1	-34.4	174.3	63.8	177.7	-178	174.5	0	113.7	L202 L203 I235	K199-L202 WeakPolarHBondContact O-CB 3.32Å; K199-L202 PolarHBondContact O-N 3.36Å; K199-L203 PolarHBondContact O-N 3.33Å; K199-I235 HydrophobicContact CB-CD1 3.98Å
200	W	93.3	Very high	91	Very high	151 Å²	151	41.6 Å²	41.6	57%	0.572	21%	0.211	S	C	*	.	H	α-helix	trans	-69.5	-39.8	176	-72.7	116	0	0	0	111.4	G198 L202 L203 I204	G198-W200 VanDerWaalsContact C-N 3.29Å; G198-W200 PolarHBondContact O-N 2.92Å; W200-L202 VanDerWaalsContact C-N 3.32Å; W200-L202 PolarHBondContact O-N 2.94Å; W200-L203 PolarHBondContact O-N 3.4Å; W200-I204 WeakPolarHBondContact O-CB 3.46Å; W200-I204 VanDerWaalsContact O-CG1 3.32Å; W200-I204 WeakPolarHBondContact O-CG1 3.28Å; W200-I204 PolarHBondContact O-N 3.32Å
201	T	94.4	Very high	91.7	Very high	5 Å²	5	41.6 Å²	41.6	3%	0.031	21%	0.21	C	C	.	.	H	α-helix	trans	-59.8	-43.6	172.6	-44.2	0	0	0	0	110.9	A176 G195 Y196 G198 K205	A176-T201 HydrophobicContact CB-CG2 4.19Å; G195-T201 PolarHBondContact O-OG1 3.06Å; Y196-T201 VanDerWaalsContact O-CB 3.32Å; Y196-T201 WeakPolarHBondContact O-CB 3.48Å; Y196-T201 WeakPolarHBondContact O-CG2 3.48Å; Y196-T201 PolarHBondContact O-OG1 3.42Å; Y196-T201 VanDerWaalsContact O-OG1 3.07Å; G198-T201 WeakPolarHBondContact O-CB 3.31Å; G198-T201 PolarHBondContact O-N 3.4Å; T201-K205 WeakPolarHBondContact O-CA 3.43Å; T201-K205 WeakPolarHBondContact O-CB 3.47Å; T201-K205 PolarHBondContact O-N 3.46Å
202	L	95.8	Very high	92.3	Very high	23 Å²	23	41.6 Å²	41.6	12%	0.12	21%	0.21	C	C	.	.	H	α-helix	trans	-56.2	-53.5	176.4	178.3	65.8	0	0	0	112.2	G198 K199 W200 S206 L228 C231 I232 I235	G198-L202 PolarHBondContact O-N 3.08Å; K199-L202 WeakPolarHBondContact O-CB 3.32Å; K199-L202 PolarHBondContact O-N 3.36Å; W200-L202 VanDerWaalsContact C-N 3.32Å; W200-L202 PolarHBondContact O-N 2.94Å; L202-S206 WeakPolarHBondContact O-CB 3.42Å; L202-S206 PolarHBondContact O-N 3.04Å; L202-S206 PolarHBondContact O-OG 3.46Å; L202-L228 HydrophobicContact CD1-CB 4.06Å; L202-L228 HydrophobicContact CD1-CD2 3.83Å; L202-C231 HydrophobicContact CB-CB 3.96Å; L202-C231 HydrophobicContact CD1-CB 4.01Å; L202-C231 HydrophobicContact CG-CB 4.46Å; L202-I232 HydrophobicContact CD1-CD1 4.24Å; L202-I232 HydrophobicContact CD1-CG1 3.82Å; L202-I232 HydrophobicContact CD2-CG1 3.86Å; L202-I235 HydrophobicContact CD2-CD1 3.78Å
203	L	95.8	Very high	92.7	Very high	98 Å²	98	40.4 Å²	40.4	51%	0.513	21%	0.207	S	C	.	.	H	α-helix	trans	-65.5	-46	-176.7	-69.2	176	0	0	0	112.6	K199 W200 S206 V207	K199-L203 PolarHBondContact O-N 3.33Å; W200-L203 PolarHBondContact O-N 3.4Å; L203-S206 PolarHBondContact O-OG 3Å; L203-V207 WeakPolarHBondContact O-CG2 3.35Å; L203-V207 PolarHBondContact O-N 2.97Å
204	I	95.8	Very high	93	Very high	16 Å²	16	39.1 Å²	39.1	8%	0.082	20%	0.201	C	C	.	.	H	α-helix	trans	-72.4	-36.4	-177.7	-63	-63.2	0	0	0	110.9	L168 V169 F172 A173 A176 W200 G208	L168-I204 HydrophobicContact CB-CG2 4.21Å; L168-I204 HydrophobicContact CD2-CD1 4.46Å; V169-I204 HydrophobicContact CG2-CG2 4.19Å; F172-I204 HydrophobicContact CB-CD1 3.57Å; F172-I204 HydrophobicContact CB-CG1 3.65Å; F172-I204 HydrophobicContact CD2-CD1 3.93Å; F172-I204 HydrophobicContact CG-CD1 3.91Å; A173-I204 HydrophobicContact CB-CB 3.91Å; A173-I204 HydrophobicContact CB-CG1 4.02Å; A173-I204 HydrophobicContact CB-CG2 4.09Å; A176-I204 HydrophobicContact CB-CG2 4.25Å; W200-I204 WeakPolarHBondContact O-CB 3.46Å; W200-I204 VanDerWaalsContact O-CG1 3.32Å; W200-I204 WeakPolarHBondContact O-CG1 3.28Å; W200-I204 PolarHBondContact O-N 3.32Å; I204-G208 WeakPolarHBondContact O-CA 3.18Å; I204-G208 PolarHBondContact O-N 2.66Å
205	K	96.7	Very high	93.5	Very high	1 Å²	1	30.7 Å²	30.7	0%	0.004	17%	0.169	C	C	.	.	H	α-helix	trans	-70.2	-36.5	177.5	-168.3	163.4	-171.7	152.3	0	111.7	A176 G178 S179 T201 L209 H227 L228 P456	A176-K205 HydrophobicContact CB-CB 3.86Å; A176-K205 HydrophobicContact CB-CG 4.37Å; A176-K205 PolarHBondContact O-NZ 3.41Å; G178-K205 PolarHBondContact O-NZ 3.43Å; S179-K205 PolarHBondContact O-NZ 2.96Å; T201-K205 WeakPolarHBondContact O-CA 3.43Å; T201-K205 WeakPolarHBondContact O-CB 3.47Å; T201-K205 PolarHBondContact O-N 3.46Å; K205-L209 WeakPolarHBondContact O-CB 3.47Å; K205-L209 PolarHBondContact O-N 2.96Å; K205-H227 HydrophobicContact CD-CB 4.41Å; K205-H227 PolarHBondContact NZ-ND1 3.34Å; K205-H227 VanDerWaalsContact NZ-ND1 3.16Å; K205-L228 HydrophobicContact CB-CD2 3.74Å; K205-L228 HydrophobicContact CD-CD2 4.42Å; K205-L228 HydrophobicContact CG-CD2 3.92Å; K205-P456 HydrophobicContact CG-CB 4.13Å
206	S	95.6	Very high	93.7	Very high	24 Å²	24	29.2 Å²	29.2	17%	0.168	15%	0.153	C	C	.	.	H	α-helix	trans	-65.9	-47.1	176.2	63.9	0	0	0	0	112.1	L202 L203 A210	L202-S206 WeakPolarHBondContact O-CB 3.42Å; L202-S206 PolarHBondContact O-N 3.04Å; L202-S206 PolarHBondContact O-OG 3.46Å; L203-S206 PolarHBondContact O-OG 3Å; S206-A210 PolarHBondContact O-N 2.83Å
207	V	96	Very high	93.6	Very high	69 Å²	69	29.4 Å²	29.4	42%	0.418	16%	0.155	S	C	.	.	H	α-helix	trans	-68.8	-46.1	178.3	177.5	0	0	0	0	111.1	L168 L203 L209 A210 L211	L168-V207 HydrophobicContact CD1-CG1 3.8Å; L203-V207 WeakPolarHBondContact O-CG2 3.35Å; L203-V207 PolarHBondContact O-N 2.97Å; V207-L209 VanDerWaalsContact C-N 3.29Å; V207-L209 PolarHBondContact O-N 3.43Å; V207-A210 PolarHBondContact O-N 2.79Å; V207-L211 HydrophobicContact CG1-CD1 3.95Å; V207-L211 WeakPolarHBondContact O-CG 3.4Å; V207-L211 PolarHBondContact O-N 3.32Å; V207-L211 VanDerWaalsContact O-N 3.11Å
208	G	95.3	Very high	93.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63.2	-34.5	179	0	0	0	0	0	112.8	I204 A212 P456	I204-G208 WeakPolarHBondContact O-CA 3.18Å; I204-G208 PolarHBondContact O-N 2.66Å; G208-A212 WeakPolarHBondContact O-CB 3.35Å; G208-A212 PolarHBondContact O-N 3.43Å; G208-P456 WeakPolarHBondContact O-CG 2.99Å
209	L	94.9	Very high	93.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-67.2	-45.6	176.8	178.5	62.8	0	0	0	111.7	V87 K205 V207 L211 A212 A213 K221 P224 L228 P456	V87-L209 HydrophobicContact CG1-CD2 3.9Å; V87-L209 HydrophobicContact CG1-CG 4.29Å; K205-L209 WeakPolarHBondContact O-CB 3.47Å; K205-L209 PolarHBondContact O-N 2.96Å; V207-L209 VanDerWaalsContact C-N 3.29Å; V207-L209 PolarHBondContact O-N 3.43Å; L209-L211 VanDerWaalsContact C-N 3.34Å; L209-L211 PolarHBondContact O-N 3.42Å; L209-A212 PolarHBondContact O-N 2.84Å; L209-A213 VanDerWaalsContact O-CB 3.28Å; L209-A213 WeakPolarHBondContact O-CB 3Å; L209-A213 PolarHBondContact O-N 3.44Å; L209-K221 HydrophobicContact CD1-CB 3.98Å; L209-K221 HydrophobicContact CD2-CB 4.03Å; L209-K221 HydrophobicContact CG-CB 4.08Å; L209-P224 HydrophobicContact CD1-CB 3.77Å; L209-P224 HydrophobicContact CD1-CG 3.78Å; L209-P224 HydrophobicContact CD2-CB 3.66Å; L209-P224 HydrophobicContact CG-CB 4.27Å; L209-L228 HydrophobicContact CD2-CD1 4.11Å; L209-P456 HydrophobicContact CB-CB 4.31Å; L209-P456 HydrophobicContact CB-CG 4.31Å; L209-P456 HydrophobicContact CD1-CB 4.47Å; L209-P456 VanDerWaalsContact N-CG 3.34Å
210	A	94.4	Very high	93.1	Very high	2 Å²	2	21.9 Å²	21.9	2%	0.017	12%	0.118	C	C	.	.	H	α-helix	trans	-59.7	-46	176.7	0	0	0	0	0	111.4	S90 T91 M94 S206 V207 A214	S90-A210 WeakPolarHBondContact OG-CB 3.37Å; T91-A210 WeakPolarHBondContact OG1-CA 3.43Å; M94-A210 HydrophobicContact SD-CB 4.25Å; S206-A210 PolarHBondContact O-N 2.83Å; V207-A210 PolarHBondContact O-N 2.79Å; A210-A214 WeakPolarHBondContact O-CB 3.46Å; A210-A214 PolarHBondContact O-N 3.21Å
211	L	95.1	Very high	93	Very high	5 Å²	5	15.9 Å²	15.9	3%	0.026	10%	0.095	C	C	.	.	H	α-helix	trans	-64.2	-43.7	177.2	-68.4	169.1	0	0	0	112.9	M94 M161 L164 A165 L168 V207 L209 S215	M94-L211 HydrophobicContact CE-CD2 4.2Å; M94-L211 HydrophobicContact SD-CD2 3.77Å; M94-L211 HydrophobicContact SD-CG 4.32Å; M161-L211 HydrophobicContact CB-CD2 4.34Å; M161-L211 HydrophobicContact CG-CD2 4.43Å; M161-L211 HydrophobicContact SD-CD2 3.37Å; M161-L211 WeakPolarHBondContact SD-CD2 3.13Å; L164-L211 HydrophobicContact CB-CD1 4.17Å; L164-L211 HydrophobicContact CD2-CD1 3.74Å; L164-L211 HydrophobicContact CD2-CD2 4.09Å; L164-L211 HydrophobicContact CG-CD1 3.77Å; A165-L211 HydrophobicContact CB-CB 3.86Å; A165-L211 HydrophobicContact CB-CD1 4.37Å; L168-L211 HydrophobicContact CD1-CD1 3.94Å; V207-L211 HydrophobicContact CG1-CD1 3.95Å; V207-L211 WeakPolarHBondContact O-CG 3.4Å; V207-L211 PolarHBondContact O-N 3.32Å; V207-L211 VanDerWaalsContact O-N 3.11Å; L209-L211 VanDerWaalsContact C-N 3.34Å; L209-L211 PolarHBondContact O-N 3.42Å; L211-S215 PolarHBondContact O-N 2.67Å; L211-S215 VanDerWaalsContact O-N 3.11Å
212	A	94.1	Very high	92.6	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-70.6	-36.6	-178.9	0	0	0	0	0	112.3	A165 G208 L209 S215 L219 V455 P456	A165-A212 HydrophobicContact CB-CB 4.49Å; G208-A212 WeakPolarHBondContact O-CB 3.35Å; G208-A212 PolarHBondContact O-N 3.43Å; L209-A212 PolarHBondContact O-N 2.84Å; A212-S215 PolarHBondContact O-OG 2.84Å; A212-L219 HydrophobicContact CB-CD2 3.92Å; A212-V455 HydrophobicContact CB-CB 4.4Å; A212-P456 HydrophobicContact CB-CG 4.37Å
213	A	91.9	Very high	92.2	Very high	20 Å²	20	14.8 Å²	14.8	17%	0.165	9%	0.089	C	C	.	.	H	α-helix	trans	-71.1	-40.1	174.9	0	0	0	0	0	111.3	T91 L209 S215 G216 L219	T91-A213 HydrophobicContact CG2-CB 3.53Å; L209-A213 VanDerWaalsContact O-CB 3.28Å; L209-A213 WeakPolarHBondContact O-CB 3Å; L209-A213 PolarHBondContact O-N 3.44Å; A213-S215 VanDerWaalsContact C-N 3.3Å; A213-S215 PolarHBondContact O-N 2.98Å; A213-G216 PolarHBondContact O-N 3.05Å; A213-L219 HydrophobicContact CB-CD1 3.93Å
214	A	91.4	Very high	92.1	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-64.7	-29.8	177.4	0	0	0	0	0	113.7	M94 K98 A210 G216	M94-A214 HydrophobicContact CB-CB 3.36Å; K98-A214 WeakPolarHBondContact CD-O 3.43Å; K98-A214 WeakPolarHBondContact CE-O 3.17Å; K98-A214 PolarHBondContact NZ-O 3.26Å; A210-A214 WeakPolarHBondContact O-CB 3.46Å; A210-A214 PolarHBondContact O-N 3.21Å; A214-G216 PolarHBondContact O-N 3.35Å; A214-G216 VanDerWaalsContact O-N 3.09Å
215	S	91.9	Very high	92	Very high	3 Å²	3	9.5 Å²	9.5	2%	0.021	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-11.6	-177.9	71.2	0	0	0	0	114.7	A158 T162 L211 A212 A213	A158-S215 WeakPolarHBondContact CB-O 3.4Å; A158-S215 WeakPolarHBondContact O-CB 3.27Å; T162-S215 WeakPolarHBondContact OG1-CB 3.26Å; T162-S215 PolarHBondContact OG1-OG 3.25Å; L211-S215 PolarHBondContact O-N 2.67Å; L211-S215 VanDerWaalsContact O-N 3.11Å; A212-S215 PolarHBondContact O-OG 2.84Å; A213-S215 VanDerWaalsContact C-N 3.3Å; A213-S215 PolarHBondContact O-N 2.98Å
216	G	87.9	Confident	91.9	Very high	17 Å²	17	9.7 Å²	9.7	18%	0.175	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	11.6	178.8	0	0	0	0	0	114.5	A213 A214	A213-G216 PolarHBondContact O-N 3.05Å; A214-G216 PolarHBondContact O-N 3.35Å; A214-G216 VanDerWaalsContact O-N 3.09Å
217	L	89.6	Confident	91.9	Very high	8 Å²	8	8.5 Å²	8.5	4%	0.042	6%	0.055	C	C	.	.			trans	-58.6	149.8	166.4	-74.2	172.3	0	0	0	110.6	T162 L219 V374 T450	T162-L217 HydrophobicContact CG2-CD1 4.09Å; L217-L219 HydrophobicContact CB-CD2 3.58Å; L217-L219 HydrophobicContact CB-CG 3.91Å; L217-L219 HydrophobicContact CD1-CD2 3.88Å; L217-L219 HydrophobicContact CG-CD2 4.4Å; L217-L219 PolarHBondContact O-N 3.39Å; L217-V374 HydrophobicContact CD2-CG1 4.29Å; L217-T450 HydrophobicContact CB-CG2 4.13Å; L217-T450 HydrophobicContact CD2-CG2 4.31Å
218	S	88.7	Confident	91.9	Very high	5 Å²	5	5.5 Å²	5.5	4%	0.035	4%	0.036	C	C	.	.	S	Bend	trans	-76	72.6	174.2	-162	0	0	0	0	110.5	T447 P462	S218-T447 PolarHBondContact OG-OG1 2.88Å; S218-P462 WeakPolarHBondContact O-CG 3.39Å
219	L	89.4	Confident	92	Very high	11 Å²	11	5.6 Å²	5.6	6%	0.058	4%	0.037	C	C	.	.			trans	-135.6	160.1	179.7	62.6	80.3	0	0	0	111.2	A212 A213 L217 V455	A212-L219 HydrophobicContact CB-CD2 3.92Å; A213-L219 HydrophobicContact CB-CD1 3.93Å; L217-L219 HydrophobicContact CB-CD2 3.58Å; L217-L219 HydrophobicContact CB-CG 3.91Å; L217-L219 HydrophobicContact CD1-CD2 3.88Å; L217-L219 HydrophobicContact CG-CD2 4.4Å; L217-L219 PolarHBondContact O-N 3.39Å; L219-V455 HydrophobicContact CD2-CG2 4.37Å
220	G	87	Confident	92.1	Very high	2 Å²	2	5.7 Å²	5.7	2%	0.021	4%	0.037	C	C	.	.	B	Isolated β-bridge	trans	-115.3	152.1	177.1	0	0	0	0	0	112.6	G458	G220-G458 PolarHBondContact N-O 3.11Å; G220-G458 WeakPolarHBondContact O-CA 3.29Å; G220-G458 PolarHBondContact O-N 3.35Å
221	K	90.5	Very high	92.2	Very high	25 Å²	25	5.6 Å²	5.6	11%	0.109	4%	0.037	C	C	.	.	S	Bend	trans	-84.6	-22.9	175	59	-178.4	-176.5	165.6	0	113.7	D88 L209 G223 P224 M225	D88-K221 WeakPolarHBondContact OD1-CD 3.37Å; D88-K221 WeakPolarHBondContact OD1-CE 3.47Å; D88-K221 IonicContact OD1-NZ 3.32Å; D88-K221 PolarHBondContact OD1-NZ 3.34Å; D88-K221 IonicContact OD2-NZ 3.47Å; D88-K221 PolarHBondContact OD2-NZ 3.46Å; L209-K221 HydrophobicContact CD1-CB 3.98Å; L209-K221 HydrophobicContact CD2-CB 4.03Å; L209-K221 HydrophobicContact CG-CB 4.08Å; K221-G223 PolarHBondContact O-N 3.29Å; K221-P224 VanDerWaalsContact O-CD 3.3Å; K221-P224 WeakPolarHBondContact O-CD 3.43Å; K221-M225 HydrophobicContact CB-CE 4.33Å; K221-M225 HydrophobicContact CD-CE 3.68Å; K221-M225 HydrophobicContact CG-CE 3.9Å; K221-M225 WeakPolarHBondContact O-CG 3.39Å; K221-M225 PolarHBondContact O-N 3.27Å
222	E	86.3	Confident	92.3	Very high	4 Å²	4	5.6 Å²	5.6	2%	0.019	4%	0.037	C	C	.	.	H	α-helix	trans	-63.3	-45	-168.8	-45.8	-43.8	153	0	0	114.6	M225 V226 A265 F266 F460 V461	E222-M225 WeakPolarHBondContact O-CB 3.46Å; E222-M225 PolarHBondContact O-N 3Å; E222-V226 PolarHBondContact O-N 3.21Å; E222-A265 HydrophobicContact CB-CB 3.81Å; E222-A265 HydrophobicContact CG-CB 4.26Å; E222-A265 WeakPolarHBondContact OE2-CA 3.25Å; E222-A265 WeakPolarHBondContact OE2-CB 3.46Å; E222-A265 VanDerWaalsContact OE2-O 3.06Å; E222-F266 HydrophobicContact CB-CE1 4.24Å; E222-F266 HydrophobicContact CB-CE2 4.23Å; E222-F266 HydrophobicContact CB-CZ 3.75Å; E222-F266 HydrophobicContact CG-CE1 3.9Å; E222-F266 HydrophobicContact CG-CZ 3.94Å; E222-F460 HydrophobicContact CB-CB 4.23Å; E222-F460 HydrophobicContact CB-CG 4.44Å; E222-V461 HydrophobicContact CG-CG2 3.51Å
223	G	87.3	Confident	92.4	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-60.3	-52.1	177	0	0	0	0	0	112.5	S179 K221 M225 V226	S179-G223 WeakPolarHBondContact OG-CA 3.39Å; K221-G223 PolarHBondContact O-N 3.29Å; G223-M225 VanDerWaalsContact C-N 3.28Å; G223-M225 PolarHBondContact O-N 2.99Å; G223-V226 WeakPolarHBondContact O-CB 3.05Å; G223-V226 PolarHBondContact O-N 3.03Å; G223-V226 VanDerWaalsContact O-N 3.16Å
224	P	94	Very high	92.5	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-54	-33.7	170.3	-34.4	40.6	0	0	0	115.6	S179 L209 K221 V226 H227 L228	S179-P224 WeakPolarHBondContact O-CA 3.16Å; L209-P224 HydrophobicContact CD1-CB 3.77Å; L209-P224 HydrophobicContact CD1-CG 3.78Å; L209-P224 HydrophobicContact CD2-CB 3.66Å; L209-P224 HydrophobicContact CG-CB 4.27Å; K221-P224 VanDerWaalsContact O-CD 3.3Å; K221-P224 WeakPolarHBondContact O-CD 3.43Å; P224-V226 VanDerWaalsContact C-N 3.28Å; P224-V226 PolarHBondContact O-N 3.39Å; P224-H227 WeakPolarHBondContact O-CA 3.21Å; P224-H227 WeakPolarHBondContact O-CB 3.03Å; P224-H227 PolarHBondContact O-N 2.94Å; P224-L228 WeakPolarHBondContact O-CG 3.17Å; P224-L228 PolarHBondContact O-N 2.91Å
225	M	94	Very high	92.7	Very high	4 Å²	4	8.3 Å²	8.3	2%	0.02	5%	0.048	C	C	.	.	H	α-helix	trans	-60.4	-36.7	176.5	-69.3	-162.8	-174.8	0	0	112.5	A84 V87 D88 K221 E222 G223 H227 L228 A229 V264 A265	A84-M225 HydrophobicContact CB-CE 4.47Å; A84-M225 HydrophobicContact CB-SD 4.1Å; V87-M225 HydrophobicContact CG1-CE 4.34Å; D88-M225 WeakPolarHBondContact OD1-CE 2.83Å; K221-M225 HydrophobicContact CB-CE 4.33Å; K221-M225 HydrophobicContact CD-CE 3.68Å; K221-M225 HydrophobicContact CG-CE 3.9Å; K221-M225 WeakPolarHBondContact O-CG 3.39Å; K221-M225 PolarHBondContact O-N 3.27Å; E222-M225 WeakPolarHBondContact O-CB 3.46Å; E222-M225 PolarHBondContact O-N 3Å; G223-M225 VanDerWaalsContact C-N 3.28Å; G223-M225 PolarHBondContact O-N 2.99Å; M225-H227 VanDerWaalsContact C-N 3.29Å; M225-H227 PolarHBondContact O-N 3.21Å; M225-L228 PolarHBondContact O-N 2.9Å; M225-A229 WeakPolarHBondContact O-CB 3.5Å; M225-A229 PolarHBondContact O-N 3.48Å; M225-V264 HydrophobicContact SD-CG2 4.14Å; M225-A265 HydrophobicContact CB-CB 4.35Å; M225-A265 HydrophobicContact SD-CB 3.98Å
226	V	94.4	Very high	92.8	Very high	4 Å²	4	10.4 Å²	10.4	2%	0.024	6%	0.057	C	C	.	.	H	α-helix	trans	-59.3	-42.1	173.4	-171.4	0	0	0	0	111	I181 I184 E222 G223 P224 C230 A258 V262	I181-V226 HydrophobicContact CD1-CG2 4.47Å; I181-V226 HydrophobicContact CG1-CB 4.4Å; I184-V226 HydrophobicContact CD1-CG1 4.15Å; E222-V226 PolarHBondContact O-N 3.21Å; G223-V226 WeakPolarHBondContact O-CB 3.05Å; G223-V226 PolarHBondContact O-N 3.03Å; G223-V226 VanDerWaalsContact O-N 3.16Å; P224-V226 VanDerWaalsContact C-N 3.28Å; P224-V226 PolarHBondContact O-N 3.39Å; V226-C230 PolarHBondContact O-N 3.42Å; V226-C230 PolarHBondContact O-SG 3.41Å; V226-A258 HydrophobicContact CG1-CB 3.93Å; V226-V262 HydrophobicContact CG2-CG2 3.46Å; V226-V262 VanDerWaalsContact CG2-CG2 3.46Å
227	H	95.4	Very high	93.1	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-68.6	-43.1	175.9	-172.2	-171.5	0	0	0	112.2	I184 Y196 K205 P224 M225 A229 C230 C231	I184-H227 HydrophobicContact CD1-CB 3.85Å; Y196-H227 AromaticContact CD1-CE1 3.81Å; Y196-H227 AromaticContact CD1-NE2 3.46Å; Y196-H227 WeakPolarHBondContact CD1-NE2 3.41Å; Y196-H227 AromaticContact CE1-CD2 3.78Å; Y196-H227 AromaticContact CE1-CE1 3.17Å; Y196-H227 WeakPolarHBondContact CE1-CE1 3.33Å; Y196-H227 AromaticContact CE1-ND1 3.79Å; Y196-H227 AromaticContact CE1-NE2 3.13Å; Y196-H227 WeakPolarHBondContact CE1-NE2 3.47Å; Y196-H227 AromaticContact CE2-CE1 3.95Å; Y196-H227 AromaticContact CZ-CE1 3.22Å; Y196-H227 AromaticContact CZ-ND1 3.74Å; Y196-H227 AromaticContact CZ-NE2 3.73Å; Y196-H227 PolarHBondContact OH-CE1 3.37Å; Y196-H227 PolarHBondContact OH-ND1 3.11Å; K205-H227 HydrophobicContact CD-CB 4.41Å; K205-H227 PolarHBondContact NZ-ND1 3.34Å; K205-H227 VanDerWaalsContact NZ-ND1 3.16Å; P224-H227 WeakPolarHBondContact O-CA 3.21Å; P224-H227 WeakPolarHBondContact O-CB 3.03Å; P224-H227 PolarHBondContact O-N 2.94Å; M225-H227 VanDerWaalsContact C-N 3.29Å; M225-H227 PolarHBondContact O-N 3.21Å; H227-A229 VanDerWaalsContact C-N 3.31Å; H227-A229 PolarHBondContact O-N 2.89Å; H227-C230 PolarHBondContact O-N 3.33Å; H227-C231 VanDerWaalsContact CD2-SG 3.51Å; H227-C231 PolarHBondContact NE2-SG 3.46Å; H227-C231 VanDerWaalsContact NE2-SG 3.42Å; H227-C231 PolarHBondContact O-N 3.16Å; H227-C231 PolarHBondContact O-SG 3.48Å; H227-C231 VanDerWaalsContact O-SG 3.41Å
228	L	97	Very high	93.1	Very high	5 Å²	5	15.5 Å²	15.5	3%	0.026	7%	0.071	C	C	.	.	H	α-helix	trans	-57.4	-45.6	175.5	-63.6	175.5	0	0	0	111.1	V83 V87 L202 K205 L209 P224 M225 C230 C231 I232	V83-L228 HydrophobicContact CG1-CD1 4.27Å; V87-L228 HydrophobicContact CG2-CD1 4.33Å; L202-L228 HydrophobicContact CD1-CB 4.06Å; L202-L228 HydrophobicContact CD1-CD2 3.83Å; K205-L228 HydrophobicContact CB-CD2 3.74Å; K205-L228 HydrophobicContact CD-CD2 4.42Å; K205-L228 HydrophobicContact CG-CD2 3.92Å; L209-L228 HydrophobicContact CD2-CD1 4.11Å; P224-L228 WeakPolarHBondContact O-CG 3.17Å; P224-L228 PolarHBondContact O-N 2.91Å; M225-L228 PolarHBondContact O-N 2.9Å; L228-C230 PolarHBondContact O-N 3.36Å; L228-C231 WeakPolarHBondContact O-CB 3.27Å; L228-C231 PolarHBondContact O-N 2.98Å; L228-I232 WeakPolarHBondContact O-CG1 3.28Å; L228-I232 PolarHBondContact O-N 2.77Å
229	A	97.1	Very high	93.2	Very high	2 Å²	2	21 Å²	21	2%	0.017	10%	0.099	C	C	.	.	H	α-helix	trans	-62	-43.7	176.8	0	0	0	0	0	112.1	A80 M225 H227 C231 I232 G233 S257	A80-A229 HydrophobicContact CB-CB 4.33Å; M225-A229 WeakPolarHBondContact O-CB 3.5Å; M225-A229 PolarHBondContact O-N 3.48Å; H227-A229 VanDerWaalsContact C-N 3.31Å; H227-A229 PolarHBondContact O-N 2.89Å; A229-C231 VanDerWaalsContact C-N 3.34Å; A229-C231 PolarHBondContact O-N 2.82Å; A229-I232 WeakPolarHBondContact O-CB 3.34Å; A229-I232 PolarHBondContact O-N 3.24Å; A229-G233 PolarHBondContact O-N 3.46Å; A229-S257 WeakPolarHBondContact CB-O 3.32Å; A229-S257 WeakPolarHBondContact O-CB 3.46Å
230	C	96.4	Very high	93.2	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.014	11%	0.105	C	C	.	.	H	α-helix	trans	-62.2	-36.3	174.2	-77.5	0	0	0	0	113.4	I184 L197 V226 H227 L228 G233 N234 L254	I184-C230 HydrophobicContact CD1-CB 4.23Å; I184-C230 HydrophobicContact CG1-CB 4.43Å; L197-C230 HydrophobicContact CD2-CB 3.93Å; V226-C230 PolarHBondContact O-N 3.42Å; V226-C230 PolarHBondContact O-SG 3.41Å; H227-C230 PolarHBondContact O-N 3.33Å; L228-C230 PolarHBondContact O-N 3.36Å; C230-G233 PolarHBondContact O-N 3.14Å; C230-N234 WeakPolarHBondContact O-CB 3.46Å; C230-N234 PolarHBondContact O-N 2.85Å; C230-L254 HydrophobicContact CB-CD2 4.49Å; C230-L254 WeakPolarHBondContact O-CD2 3.49Å
231	C	96.4	Very high	93.1	Very high	1 Å²	1	26 Å²	26	1%	0.007	13%	0.128	C	C	.	.	H	α-helix	trans	-63.5	-45	172.7	-73.8	0	0	0	0	111.5	L202 H227 L228 A229 N234 I235	L202-C231 HydrophobicContact CB-CB 3.96Å; L202-C231 HydrophobicContact CD1-CB 4.01Å; L202-C231 HydrophobicContact CG-CB 4.46Å; H227-C231 VanDerWaalsContact CD2-SG 3.51Å; H227-C231 PolarHBondContact NE2-SG 3.46Å; H227-C231 VanDerWaalsContact NE2-SG 3.42Å; H227-C231 PolarHBondContact O-N 3.16Å; H227-C231 PolarHBondContact O-SG 3.48Å; H227-C231 VanDerWaalsContact O-SG 3.41Å; L228-C231 WeakPolarHBondContact O-CB 3.27Å; L228-C231 PolarHBondContact O-N 2.98Å; A229-C231 VanDerWaalsContact C-N 3.34Å; A229-C231 PolarHBondContact O-N 2.82Å; C231-N234 PolarHBondContact O-N 3.22Å; C231-I235 VanDerWaalsContact O-CG1 3.29Å; C231-I235 WeakPolarHBondContact O-CG1 3.19Å; C231-I235 PolarHBondContact O-N 3.49Å
232	I	97.2	Very high	93	Very high	5 Å²	5	26 Å²	26	3%	0.026	13%	0.128	C	C	.	.	H	α-helix	trans	-58	-50.1	174.1	-68.5	167.5	0	0	0	109.8	V76 A79 A80 V83 L202 L228 A229 N234 I235 F236	V76-I232 HydrophobicContact CG1-CG2 4.27Å; A79-I232 HydrophobicContact CB-CD1 4.44Å; A79-I232 HydrophobicContact CB-CG2 3.63Å; A80-I232 HydrophobicContact CB-CD1 4.41Å; V83-I232 HydrophobicContact CB-CD1 4.13Å; V83-I232 HydrophobicContact CG2-CD1 3.93Å; L202-I232 HydrophobicContact CD1-CD1 4.24Å; L202-I232 HydrophobicContact CD1-CG1 3.82Å; L202-I232 HydrophobicContact CD2-CG1 3.86Å; L228-I232 WeakPolarHBondContact O-CG1 3.28Å; L228-I232 PolarHBondContact O-N 2.77Å; A229-I232 WeakPolarHBondContact O-CB 3.34Å; A229-I232 PolarHBondContact O-N 3.24Å; I232-N234 VanDerWaalsContact C-N 3.33Å; I232-N234 PolarHBondContact O-N 3.02Å; I232-I235 PolarHBondContact O-N 3.42Å; I232-I235 VanDerWaalsContact O-N 3.13Å; I232-F236 HydrophobicContact CG2-CD2 3.61Å; I232-F236 HydrophobicContact CG2-CE2 3.72Å; I232-F236 WeakPolarHBondContact O-CD2 3.02Å; I232-F236 PolarHBondContact O-N 2.98Å
233	G	96.3	Very high	93.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-54.6	-44.6	175.3	0	0	0	0	0	113.5	A229 C230 S237 S257	A229-G233 PolarHBondContact O-N 3.46Å; C230-G233 PolarHBondContact O-N 3.14Å; G233-S237 VanDerWaalsContact O-CB 3.23Å; G233-S237 WeakPolarHBondContact O-CB 3.18Å; G233-S237 PolarHBondContact O-N 3.4Å; G233-S257 VanDerWaalsContact CA-OG 3.31Å; G233-S257 WeakPolarHBondContact CA-OG 3.48Å
234	N	95.4	Very high	93.1	Very high	17 Å²	17	26.3 Å²	26.3	9%	0.091	13%	0.133	C	C	.	.	H	α-helix	trans	-62.5	-44	176.4	-179.1	66	0	0	0	111.8	L197 C230 C231 I232 S237 Y238 K250 L254	L197-N234 HydrophobicContact CB-CB 3.7Å; L197-N234 HydrophobicContact CD1-CB 4.1Å; L197-N234 HydrophobicContact CG-CB 4.5Å; L197-N234 PolarHBondContact O-ND2 3.3Å; C230-N234 WeakPolarHBondContact O-CB 3.46Å; C230-N234 PolarHBondContact O-N 2.85Å; C231-N234 PolarHBondContact O-N 3.22Å; I232-N234 VanDerWaalsContact C-N 3.33Å; I232-N234 PolarHBondContact O-N 3.02Å; N234-S237 PolarHBondContact O-N 2.9Å; N234-S237 PolarHBondContact O-OG 3.44Å; N234-Y238 WeakPolarHBondContact O-CD2 3.32Å; N234-K250 WeakPolarHBondContact OD1-CE 3.28Å; N234-K250 PolarHBondContact OD1-NZ 3.19Å; N234-L254 HydrophobicContact CB-CD2 4.12Å
235	I	94.7	Very high	92.7	Very high	60 Å²	60	33.1 Å²	33.1	31%	0.308	16%	0.162	S	C	.	.	H	α-helix	trans	-64	-50.5	179	-66.3	163	0	0	0	110.8	K199 L202 C231 I232 S237 Y238	K199-I235 HydrophobicContact CB-CD1 3.98Å; L202-I235 HydrophobicContact CD2-CD1 3.78Å; C231-I235 VanDerWaalsContact O-CG1 3.29Å; C231-I235 WeakPolarHBondContact O-CG1 3.19Å; C231-I235 PolarHBondContact O-N 3.49Å; I232-I235 PolarHBondContact O-N 3.42Å; I232-I235 VanDerWaalsContact O-N 3.13Å; I235-S237 VanDerWaalsContact C-N 3.29Å; I235-S237 PolarHBondContact O-N 3.18Å; I235-Y238 PolarHBondContact O-N 3.39Å
236	F	94.7	Very high	92.4	Very high	47 Å²	47	33.3 Å²	33.3	21%	0.206	16%	0.163	C	C	.	.	H	α-helix	trans	-65.6	-31.6	179.1	-80.6	-76.6	0	0	0	112.5	F75 V76 A79 I232 Y238 L239 F240	F75-F236 HydrophobicContact CB-CD1 3.74Å; F75-F236 HydrophobicContact CB-CE1 3.66Å; F75-F236 HydrophobicContact CB-CG 4.36Å; F75-F236 HydrophobicContact CB-CZ 4.18Å; F75-F236 HydrophobicContact CG-CD1 4.46Å; F75-F236 HydrophobicContact CG-CE1 4.21Å; V76-F236 HydrophobicContact CG2-CB 3.76Å; V76-F236 HydrophobicContact CG2-CD2 4.09Å; V76-F236 HydrophobicContact CG2-CG 4.14Å; A79-F236 HydrophobicContact CB-CE2 3.69Å; A79-F236 HydrophobicContact CB-CZ 4.22Å; I232-F236 HydrophobicContact CG2-CD2 3.61Å; I232-F236 HydrophobicContact CG2-CE2 3.72Å; I232-F236 WeakPolarHBondContact O-CD2 3.02Å; I232-F236 PolarHBondContact O-N 2.98Å; F236-Y238 PolarHBondContact O-N 3.19Å; F236-L239 HydrophobicContact CD1-CD1 3.68Å; F236-L239 HydrophobicContact CE1-CD1 4.09Å; F236-L239 WeakPolarHBondContact O-CB 3.33Å; F236-L239 PolarHBondContact O-N 3.45Å; F236-F240 WeakPolarHBondContact O-CD2 3.34Å
237	S	93.3	Very high	92	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.3	-29.8	176.7	77.3	0	0	0	0	113.1	G233 N234 I235 L239 F240 G244	G233-S237 VanDerWaalsContact O-CB 3.23Å; G233-S237 WeakPolarHBondContact O-CB 3.18Å; G233-S237 PolarHBondContact O-N 3.4Å; N234-S237 PolarHBondContact O-N 2.9Å; N234-S237 PolarHBondContact O-OG 3.44Å; I235-S237 VanDerWaalsContact C-N 3.29Å; I235-S237 PolarHBondContact O-N 3.18Å; S237-L239 VanDerWaalsContact C-N 3.34Å; S237-F240 PolarHBondContact O-N 3.26Å; S237-G244 WeakPolarHBondContact O-CA 3.34Å; S237-G244 PolarHBondContact O-N 3.44Å
238	Y	90.7	Very high	91.6	Very high	132 Å²	132	35.2 Å²	35.2	52%	0.518	17%	0.173	S	C	.	.	H	α-helix	trans	-73.4	-24.1	177.2	-74.3	-66.1	0	0	0	113.5	N234 I235 F236 F240 K250	N234-Y238 WeakPolarHBondContact O-CD2 3.32Å; I235-Y238 PolarHBondContact O-N 3.39Å; F236-Y238 PolarHBondContact O-N 3.19Å; Y238-F240 PolarHBondContact O-N 3.26Å; Y238-K250 PolarHBondContact OH-NZ 3.47Å; Y238-K250 VanDerWaalsContact OH-NZ 3.11Å
239	L	90.2	Very high	91.2	Very high	119 Å²	119	36.4 Å²	36.4	62%	0.623	18%	0.178	S	C	*	.	H	α-helix	trans	-67.9	-24.4	175	-61.3	176.8	0	0	0	112	F236 S237 P241	F236-L239 HydrophobicContact CD1-CD1 3.68Å; F236-L239 HydrophobicContact CE1-CD1 4.09Å; F236-L239 WeakPolarHBondContact O-CB 3.33Å; F236-L239 PolarHBondContact O-N 3.45Å; S237-L239 VanDerWaalsContact C-N 3.34Å; L239-P241 WeakPolarHBondContact O-CD 3.47Å
240	F	89.6	Confident	91	Very high	40 Å²	40	36.8 Å²	36.8	18%	0.175	18%	0.179	C	C	.	.	S	Bend	trans	-109	103.9	177.8	-61.5	-81	0	0	0	110.2	I71 C72 F75 F236 S237 Y238 K242 Y243 G244	I71-F240 HydrophobicContact CB-CZ 4.38Å; I71-F240 HydrophobicContact CG2-CE1 4.27Å; I71-F240 HydrophobicContact CG2-CZ 3.81Å; C72-F240 HydrophobicContact CB-CD2 3.69Å; C72-F240 HydrophobicContact CB-CE2 3.71Å; C72-F240 HydrophobicContact CB-CG 4.44Å; C72-F240 HydrophobicContact CB-CZ 4.46Å; F75-F240 HydrophobicContact CD2-CZ 4.48Å; F236-F240 WeakPolarHBondContact O-CD2 3.34Å; S237-F240 PolarHBondContact O-N 3.26Å; Y238-F240 PolarHBondContact O-N 3.26Å; F240-K242 PolarHBondContact O-N 3.15Å; F240-Y243 HydrophobicContact CB-CD2 4.01Å; F240-Y243 PolarHBondContact O-N 2.84Å; F240-G244 PolarHBondContact O-N 2.84Å
241	P	85.3	Confident	90.7	Very high	78 Å²	78	37 Å²	37	51%	0.506	18%	0.179	S	C	.	.	H	α-helix	trans	-55.1	-24.6	-176.2	-28	34.5	0	0	0	115	L239 Y243 K245	L239-P241 WeakPolarHBondContact O-CD 3.47Å; P241-Y243 VanDerWaalsContact C-N 3.32Å; P241-K245 WeakPolarHBondContact O-CB 3.46Å; P241-K245 PolarHBondContact O-N 2.88Å
242	K	87.5	Confident	90.5	Very high	25 Å²	25	37.7 Å²	37.7	11%	0.109	18%	0.183	C	C	.	.	H	α-helix	trans	-56.4	-44.2	172.2	177.3	174.2	-170.4	158.4	0	112.5	R44 D65 S68 F240	R44-K242 VanDerWaalsContact NH1-CG 3.34Å; D65-K242 PolarHBondContact O-NZ 2.86Å; D65-K242 IonicContact OD2-NZ 2.75Å; D65-K242 PolarHBondContact OD2-NZ 3.2Å; S68-K242 WeakPolarHBondContact OG-CD 3.19Å; F240-K242 PolarHBondContact O-N 3.15Å
243	Y	89.3	Confident	90.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-93.9	-42.2	-177.3	-65.7	-78.1	0	0	0	111	G69 F240 P241 K245 N246 K249 I253 R291	G69-Y243 WeakPolarHBondContact CA-OH 3.41Å; F240-Y243 HydrophobicContact CB-CD2 4.01Å; F240-Y243 PolarHBondContact O-N 2.84Å; P241-Y243 VanDerWaalsContact C-N 3.32Å; Y243-K245 VanDerWaalsContact C-N 3.33Å; Y243-K245 PolarHBondContact O-N 3.31Å; Y243-N246 PolarHBondContact O-N 2.95Å; Y243-N246 VanDerWaalsContact O-O 3.05Å; Y243-K249 HydrophobicContact CD1-CB 3.93Å; Y243-K249 WeakPolarHBondContact CD1-O 3.37Å; Y243-K249 HydrophobicContact CE1-CB 4.31Å; Y243-I253 HydrophobicContact CD1-CD1 3.94Å; Y243-I253 HydrophobicContact CD1-CG1 3.43Å; Y243-I253 VanDerWaalsContact CD1-CG1 3.43Å; Y243-I253 HydrophobicContact CE1-CD1 3.74Å; Y243-I253 HydrophobicContact CE1-CG1 3.75Å; Y243-I253 HydrophobicContact CE2-CD1 4.46Å; Y243-I253 HydrophobicContact CG-CD1 4.37Å; Y243-I253 HydrophobicContact CG-CG1 3.87Å; Y243-R291 PolarHBondContact OH-NH1 2.94Å
244	G	87.3	Confident	90.3	Very high	12 Å²	12	37.7 Å²	37.7	12%	0.124	18%	0.183	C	C	.	.	H	α-helix	trans	-67.1	-24.5	-176.9	0	0	0	0	0	115.6	S237 F240	S237-G244 WeakPolarHBondContact O-CA 3.34Å; S237-G244 PolarHBondContact O-N 3.44Å; F240-G244 PolarHBondContact O-N 2.84Å
245	K	84	Confident	90.2	Very high	142 Å²	142	37 Å²	37	62%	0.617	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99	-2.2	-179.7	-63.8	-175.6	178	-179.9	0	114.4	R40 P241 Y243	R40-K245 PolarHBondContact NH1-O 2.82Å; R40-K245 VanDerWaalsContact NH1-O 3.13Å; P241-K245 WeakPolarHBondContact O-CB 3.46Å; P241-K245 PolarHBondContact O-N 2.88Å; Y243-K245 VanDerWaalsContact C-N 3.33Å; Y243-K245 PolarHBondContact O-N 3.31Å
246	N	87.6	Confident	90.3	Very high	8 Å²	8	34.2 Å²	34.2	4%	0.043	17%	0.165	C	C	.	.			trans	-131.6	108	-174.9	-176.6	-31.9	0	0	0	109.3	D37 Y243 A248 K249 K250	D37-N246 WeakPolarHBondContact CB-OD1 3.3Å; D37-N246 PolarHBondContact O-ND2 3.45Å; Y243-N246 PolarHBondContact O-N 2.95Å; Y243-N246 VanDerWaalsContact O-O 3.05Å; N246-A248 VanDerWaalsContact C-N 3.32Å; N246-A248 PolarHBondContact O-N 3.39Å; N246-A248 PolarHBondContact OD1-N 2.95Å; N246-A248 VanDerWaalsContact OD1-N 3.15Å; N246-K249 HydrophobicContact CB-CB 4.08Å; N246-K249 HydrophobicContact CB-CG 4.38Å; N246-K249 PolarHBondContact O-N 2.88Å; N246-K249 PolarHBondContact OD1-N 3.05Å; N246-K249 VanDerWaalsContact OD1-N 3.12Å; N246-K250 WeakPolarHBondContact O-CB 3.35Å; N246-K250 PolarHBondContact O-N 2.97Å
247	E	86.9	Confident	90.4	Very high	43 Å²	43	32 Å²	32	20%	0.201	16%	0.155	C	C	.	.	H	α-helix	trans	-71.3	-28	-172	-76.9	-66.8	147.5	0	0	112.4	I32 D37 I192 K250 R251	I32-E247 HydrophobicContact CD1-CB 3.73Å; I32-E247 HydrophobicContact CD1-CG 4.41Å; I32-E247 HydrophobicContact CG1-CB 3.8Å; I32-E247 HydrophobicContact CG1-CG 4.37Å; I32-E247 HydrophobicContact CG2-CB 4.09Å; D37-E247 PolarHBondContact OD2-N 3.11Å; D37-E247 VanDerWaalsContact OD2-N 3.13Å; I192-E247 HydrophobicContact CD1-CG 4.13Å; E247-K250 IonicContact OE1-NZ 2.67Å; E247-K250 PolarHBondContact OE1-NZ 3.09Å; E247-R251 PolarHBondContact O-N 3.2Å; E247-R251 PolarHBondContact O-NH1 3.14Å; E247-R251 IonicContact OE2-NH1 3.5Å; E247-R251 PolarHBondContact OE2-NH1 3.15Å; E247-R251 VanDerWaalsContact OE2-NH1 3.13Å
248	A	86.6	Confident	90.4	Very high	2 Å²	2	32 Å²	32	2%	0.017	16%	0.155	C	C	.	.	H	α-helix	trans	-67.5	-46	171.8	0	0	0	0	0	111.5	W34 D37 N246 K250 R251	W34-A248 HydrophobicContact CD2-CB 4.48Å; W34-A248 HydrophobicContact CE3-CB 3.78Å; W34-A248 HydrophobicContact CZ3-CB 4.18Å; D37-A248 HydrophobicContact CB-CB 3.78Å; D37-A248 PolarHBondContact OD2-N 2.9Å; N246-A248 VanDerWaalsContact C-N 3.32Å; N246-A248 PolarHBondContact O-N 3.39Å; N246-A248 PolarHBondContact OD1-N 2.95Å; N246-A248 VanDerWaalsContact OD1-N 3.15Å; A248-K250 VanDerWaalsContact C-N 3.34Å; A248-K250 PolarHBondContact O-N 2.87Å; A248-R251 PolarHBondContact O-N 3.45Å
249	K	89.2	Confident	90.7	Very high	30 Å²	30	25.7 Å²	25.7	13%	0.13	13%	0.13	C	C	.	.	H	α-helix	trans	-67.2	-35.6	177.1	-76.2	-61	-175.3	-168.9	0	112.8	D41 Y243 N246 R251 E252	D41-K249 WeakPolarHBondContact OD2-CE 3.24Å; D41-K249 IonicContact OD2-NZ 3.32Å; Y243-K249 HydrophobicContact CD1-CB 3.93Å; Y243-K249 WeakPolarHBondContact CD1-O 3.37Å; Y243-K249 HydrophobicContact CE1-CB 4.31Å; N246-K249 HydrophobicContact CB-CB 4.08Å; N246-K249 HydrophobicContact CB-CG 4.38Å; N246-K249 PolarHBondContact O-N 2.88Å; N246-K249 PolarHBondContact OD1-N 3.05Å; N246-K249 VanDerWaalsContact OD1-N 3.12Å; K249-R251 PolarHBondContact O-N 3.23Å; K249-E252 WeakPolarHBondContact CD-OE1 3.37Å; K249-E252 IonicContact NZ-OE1 2.73Å; K249-E252 PolarHBondContact NZ-OE1 3.26Å; K249-E252 IonicContact NZ-OE2 3.03Å; K249-E252 PolarHBondContact NZ-OE2 3.05Å; K249-E252 VanDerWaalsContact O-CB 3.32Å; K249-E252 WeakPolarHBondContact O-CB 3.35Å; K249-E252 PolarHBondContact O-N 2.98Å; K249-E252 VanDerWaalsContact O-N 3.11Å
250	K	91.9	Very high	91	Very high	10 Å²	10	20 Å²	20	4%	0.043	10%	0.1	C	C	.	.	H	α-helix	trans	-58	-36.9	174.9	-171.9	174.5	173.1	-173.6	0	112.5	N234 Y238 N246 E247 A248 E252 I253 L254	N234-K250 WeakPolarHBondContact OD1-CE 3.28Å; N234-K250 PolarHBondContact OD1-NZ 3.19Å; Y238-K250 PolarHBondContact OH-NZ 3.47Å; Y238-K250 VanDerWaalsContact OH-NZ 3.11Å; N246-K250 WeakPolarHBondContact O-CB 3.35Å; N246-K250 PolarHBondContact O-N 2.97Å; E247-K250 IonicContact OE1-NZ 2.67Å; E247-K250 PolarHBondContact OE1-NZ 3.09Å; A248-K250 VanDerWaalsContact C-N 3.34Å; A248-K250 PolarHBondContact O-N 2.87Å; K250-E252 VanDerWaalsContact C-N 3.29Å; K250-E252 PolarHBondContact O-N 3.47Å; K250-I253 WeakPolarHBondContact O-CB 3.29Å; K250-I253 PolarHBondContact O-N 3.07Å; K250-L254 HydrophobicContact CG-CD1 4.49Å; K250-L254 WeakPolarHBondContact O-CG 3.43Å; K250-L254 PolarHBondContact O-N 3.07Å
251	R	90.8	Very high	91.2	Very high	6 Å²	6	18.1 Å²	18.1	2%	0.023	9%	0.092	C	C	.	.	H	α-helix	trans	-63.2	-32	175.4	-74.2	168.4	173.1	56	10.4	113.4	W34 I187 L188 F191 E247 A248 K249 I253 L254 S255	W34-R251 HydrophobicContact CH2-CB 4.15Å; W34-R251 HydrophobicContact CH2-CG 4.38Å; W34-R251 VanDerWaalsContact CZ2-CD 3.46Å; I187-R251 VanDerWaalsContact O-CZ 3.23Å; I187-R251 PolarHBondContact O-NE 2.92Å; I187-R251 PolarHBondContact O-NH2 2.87Å; L188-R251 HydrophobicContact CD2-CB 4.13Å; L188-R251 HydrophobicContact CD2-CG 4.12Å; F191-R251 PolarHBondContact O-NH2 2.93Å; E247-R251 PolarHBondContact O-N 3.2Å; E247-R251 PolarHBondContact O-NH1 3.14Å; E247-R251 IonicContact OE2-NH1 3.5Å; E247-R251 PolarHBondContact OE2-NH1 3.15Å; E247-R251 VanDerWaalsContact OE2-NH1 3.13Å; A248-R251 PolarHBondContact O-N 3.45Å; K249-R251 PolarHBondContact O-N 3.23Å; R251-I253 VanDerWaalsContact C-N 3.25Å; R251-I253 PolarHBondContact O-N 3.13Å; R251-L254 PolarHBondContact O-N 3.14Å; R251-S255 WeakPolarHBondContact O-CB 3.38Å; R251-S255 PolarHBondContact O-N 3.27Å; R251-S255 PolarHBondContact O-OG 3.16Å; R251-S255 VanDerWaalsContact O-OG 3.11Å
252	E	92	Very high	91.6	Very high	16 Å²	16	14.4 Å²	14.4	8%	0.075	7%	0.068	C	C	.	.	H	α-helix	trans	-59.1	-38.8	171.7	-58.7	-179.5	-175.8	0	0	111.4	K249 K250 A256 T288 R291	K249-E252 WeakPolarHBondContact CD-OE1 3.37Å; K249-E252 IonicContact NZ-OE1 2.73Å; K249-E252 PolarHBondContact NZ-OE1 3.26Å; K249-E252 IonicContact NZ-OE2 3.03Å; K249-E252 PolarHBondContact NZ-OE2 3.05Å; K249-E252 VanDerWaalsContact O-CB 3.32Å; K249-E252 WeakPolarHBondContact O-CB 3.35Å; K249-E252 PolarHBondContact O-N 2.98Å; K249-E252 VanDerWaalsContact O-N 3.11Å; K250-E252 VanDerWaalsContact C-N 3.29Å; K250-E252 PolarHBondContact O-N 3.47Å; E252-A256 PolarHBondContact O-N 3.49Å; E252-T288 HydrophobicContact CB-CG2 4.21Å; E252-T288 WeakPolarHBondContact CB-OG1 3.1Å; E252-T288 WeakPolarHBondContact CG-OG1 2.81Å; E252-T288 WeakPolarHBondContact O-CG2 3.17Å; E252-R291 IonicContact OE2-CZ 2.72Å; E252-R291 IonicContact OE2-NH1 2.87Å; E252-R291 PolarHBondContact OE2-NH1 3.26Å
253	I	94.7	Very high	91.8	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.005	6%	0.063	C	C	.	.	H	α-helix	trans	-74.7	-40.1	177	-57.4	-60.1	0	0	0	111	C72 V73 V76 Y243 K250 R251 A256 S257	C72-I253 HydrophobicContact CB-CD1 4.39Å; V73-I253 HydrophobicContact CG1-CD1 3.93Å; V76-I253 HydrophobicContact CG2-CG2 4.48Å; Y243-I253 HydrophobicContact CD1-CD1 3.94Å; Y243-I253 HydrophobicContact CD1-CG1 3.43Å; Y243-I253 VanDerWaalsContact CD1-CG1 3.43Å; Y243-I253 HydrophobicContact CE1-CD1 3.74Å; Y243-I253 HydrophobicContact CE1-CG1 3.75Å; Y243-I253 HydrophobicContact CE2-CD1 4.46Å; Y243-I253 HydrophobicContact CG-CD1 4.37Å; Y243-I253 HydrophobicContact CG-CG1 3.87Å; K250-I253 WeakPolarHBondContact O-CB 3.29Å; K250-I253 PolarHBondContact O-N 3.07Å; R251-I253 VanDerWaalsContact C-N 3.25Å; R251-I253 PolarHBondContact O-N 3.13Å; I253-A256 PolarHBondContact O-N 3.27Å; I253-S257 WeakPolarHBondContact O-CB 3.24Å; I253-S257 PolarHBondContact O-N 2.8Å; I253-S257 PolarHBondContact O-OG 3.34Å
254	L	94.7	Very high	92	Very high	4 Å²	4	13.5 Å²	13.5	2%	0.021	7%	0.065	C	C	.	.	H	α-helix	trans	-63.9	-40.2	177.3	-64.7	178	0	0	0	111.8	I187 L188 L197 C230 N234 K250 R251 S257 A258	I187-L254 HydrophobicContact CG2-CD1 4.16Å; L188-L254 HydrophobicContact CD2-CB 3.92Å; L197-L254 HydrophobicContact CD1-CD1 3.86Å; L197-L254 HydrophobicContact CD1-CD2 3.94Å; C230-L254 HydrophobicContact CB-CD2 4.49Å; C230-L254 WeakPolarHBondContact O-CD2 3.49Å; N234-L254 HydrophobicContact CB-CD2 4.12Å; K250-L254 HydrophobicContact CG-CD1 4.49Å; K250-L254 WeakPolarHBondContact O-CG 3.43Å; K250-L254 PolarHBondContact O-N 3.07Å; R251-L254 PolarHBondContact O-N 3.14Å; L254-S257 WeakPolarHBondContact O-CB 3.45Å; L254-S257 PolarHBondContact O-N 3.42Å; L254-A258 PolarHBondContact O-N 3.49Å
255	S	94	Very high	92.2	Very high	3 Å²	3	13.4 Å²	13.4	2%	0.021	6%	0.063	C	C	.	.	H	α-helix	trans	-61.7	-45.3	172	-61.3	0	0	0	0	111.6	R251 S257 A258 A259 S276 S281	R251-S255 WeakPolarHBondContact O-CB 3.38Å; R251-S255 PolarHBondContact O-N 3.27Å; R251-S255 PolarHBondContact O-OG 3.16Å; R251-S255 VanDerWaalsContact O-OG 3.11Å; S255-S257 PolarHBondContact O-N 3.47Å; S255-A258 PolarHBondContact O-N 3.15Å; S255-A259 PolarHBondContact O-N 3.12Å; S255-S276 PolarHBondContact O-OG 3.42Å; S255-S281 WeakPolarHBondContact CB-OG 3.28Å; S255-S281 PolarHBondContact OG-OG 2.92Å
256	A	95.7	Very high	92.3	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-61.4	-32.6	174.1	0	0	0	0	0	113.1	V73 E252 I253 A260 S292 C295	V73-A256 HydrophobicContact CG1-CB 3.98Å; E252-A256 PolarHBondContact O-N 3.49Å; I253-A256 PolarHBondContact O-N 3.27Å; A256-A260 PolarHBondContact O-N 2.98Å; A256-A260 VanDerWaalsContact O-N 3.08Å; A256-S292 VanDerWaalsContact CA-OG 3.25Å; A256-S292 WeakPolarHBondContact CA-OG 3.36Å; A256-C295 HydrophobicContact CB-CB 4.22Å
257	S	96.6	Very high	92.2	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-72.5	-40.7	176.4	-51.1	0	0	0	0	111.8	V76 A229 G233 I253 L254 S255 A259 A260 G261	V76-S257 WeakPolarHBondContact CG1-OG 3.32Å; A229-S257 WeakPolarHBondContact CB-O 3.32Å; A229-S257 WeakPolarHBondContact O-CB 3.46Å; G233-S257 VanDerWaalsContact CA-OG 3.31Å; G233-S257 WeakPolarHBondContact CA-OG 3.48Å; I253-S257 WeakPolarHBondContact O-CB 3.24Å; I253-S257 PolarHBondContact O-N 2.8Å; I253-S257 PolarHBondContact O-OG 3.34Å; L254-S257 WeakPolarHBondContact O-CB 3.45Å; L254-S257 PolarHBondContact O-N 3.42Å; S255-S257 PolarHBondContact O-N 3.47Å; S257-A259 VanDerWaalsContact C-N 3.32Å; S257-A259 PolarHBondContact O-N 2.97Å; S257-A260 PolarHBondContact O-N 2.85Å; S257-G261 PolarHBondContact O-N 2.86Å
258	A	94.9	Very high	92.3	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-60.9	-42.8	174.6	0	0	0	0	0	111.1	V226 L254 S255 G261 V262 A280	V226-A258 HydrophobicContact CG1-CB 3.93Å; L254-A258 PolarHBondContact O-N 3.49Å; S255-A258 PolarHBondContact O-N 3.15Å; A258-G261 PolarHBondContact O-N 3.48Å; A258-V262 PolarHBondContact O-N 3.41Å; A258-V262 VanDerWaalsContact O-N 3.07Å; A258-A280 HydrophobicContact CB-CB 4.38Å
259	A	95.3	Very high	92.7	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-60.4	-44.3	173.5	0	0	0	0	0	112.4	S255 S257 G261 V262 S263 G272 V273	S255-A259 PolarHBondContact O-N 3.12Å; S257-A259 VanDerWaalsContact C-N 3.32Å; S257-A259 PolarHBondContact O-N 2.97Å; A259-G261 VanDerWaalsContact C-N 3.33Å; A259-G261 PolarHBondContact O-N 3.4Å; A259-V262 PolarHBondContact O-N 2.77Å; A259-S263 WeakPolarHBondContact O-CB 3.47Å; A259-S263 PolarHBondContact O-N 2.95Å; A259-G272 WeakPolarHBondContact CA-O 3.5Å; A259-G272 WeakPolarHBondContact CB-O 3.27Å; A259-V273 HydrophobicContact CB-CG2 4.19Å
260	A	96.9	Very high	92.9	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-63.7	-37.9	175.1	0	0	0	0	0	112.6	A256 S257 S263 V264 C295 A299	A256-A260 PolarHBondContact O-N 2.98Å; A256-A260 VanDerWaalsContact O-N 3.08Å; S257-A260 PolarHBondContact O-N 2.85Å; A260-S263 WeakPolarHBondContact O-CB 3.33Å; A260-S263 PolarHBondContact O-N 3.35Å; A260-V264 WeakPolarHBondContact O-CG2 3.13Å; A260-V264 PolarHBondContact O-N 3.37Å; A260-C295 HydrophobicContact CB-CB 4.49Å; A260-A299 HydrophobicContact CB-CB 3.92Å
261	G	95.1	Very high	92.7	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-62.7	-40.4	176.4	0	0	0	0	0	113.3	S257 A258 A259 V264 A265	S257-G261 PolarHBondContact O-N 2.86Å; A258-G261 PolarHBondContact O-N 3.48Å; A259-G261 VanDerWaalsContact C-N 3.33Å; A259-G261 PolarHBondContact O-N 3.4Å; G261-V264 VanDerWaalsContact O-CG2 3.3Å; G261-V264 WeakPolarHBondContact O-CG2 3.39Å; G261-A265 WeakPolarHBondContact O-CB 3.5Å; G261-A265 PolarHBondContact O-N 3.01Å; G261-A265 VanDerWaalsContact O-N 3.14Å
262	V	91.7	Very high	92.7	Very high	1 Å²	1	8.1 Å²	8.1	1%	0.006	5%	0.048	C	C	.	.	H	α-helix	trans	-73.9	-36.3	173.9	176.7	0	0	0	0	112	V226 A258 A259 V264 A265 F266 F275 I531	V226-V262 HydrophobicContact CG2-CG2 3.46Å; V226-V262 VanDerWaalsContact CG2-CG2 3.46Å; A258-V262 PolarHBondContact O-N 3.41Å; A258-V262 VanDerWaalsContact O-N 3.07Å; A259-V262 PolarHBondContact O-N 2.77Å; V262-V264 PolarHBondContact O-N 2.99Å; V262-A265 PolarHBondContact O-N 3.35Å; V262-F266 HydrophobicContact CG1-CD2 3.66Å; V262-F266 HydrophobicContact CG1-CE2 4.02Å; V262-F266 PolarHBondContact O-N 3Å; V262-F275 HydrophobicContact CB-CD1 4.19Å; V262-F275 HydrophobicContact CG1-CB 4.34Å; V262-F275 HydrophobicContact CG1-CD1 4.44Å; V262-F275 HydrophobicContact CG2-CD1 3.23Å; V262-F275 HydrophobicContact CG2-CE1 3.52Å; V262-F275 HydrophobicContact CG2-CG 4.07Å; V262-I531 HydrophobicContact CG1-CD1 4Å
263	S	93.6	Very high	92.8	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-57.8	-46.9	174	-178.9	0	0	0	0	112.1	A259 A260 G267 A268 P269 A296	A259-S263 WeakPolarHBondContact O-CB 3.47Å; A259-S263 PolarHBondContact O-N 2.95Å; A260-S263 WeakPolarHBondContact O-CB 3.33Å; A260-S263 PolarHBondContact O-N 3.35Å; S263-G267 CarbonylContact O-C 3.5Å; S263-G267 WeakPolarHBondContact O-CA 3.49Å; S263-G267 PolarHBondContact O-N 3.37Å; S263-A268 PolarHBondContact O-N 2.97Å; S263-P269 WeakPolarHBondContact OG-CA 3.33Å; S263-A296 PolarHBondContact OG-O 2.98Å
264	V	93.3	Very high	92.7	Very high	5 Å²	5	9.6 Å²	9.6	3%	0.03	6%	0.056	C	C	.	.	H	α-helix	trans	-75.4	-26.3	178.8	-61.3	0	0	0	0	113.2	A84 M225 A260 G261 V262 A299 L303	A84-V264 HydrophobicContact CB-CB 3.67Å; A84-V264 HydrophobicContact CB-CG1 4.34Å; A84-V264 HydrophobicContact CB-CG2 3.61Å; M225-V264 HydrophobicContact SD-CG2 4.14Å; A260-V264 WeakPolarHBondContact O-CG2 3.13Å; A260-V264 PolarHBondContact O-N 3.37Å; G261-V264 VanDerWaalsContact O-CG2 3.3Å; G261-V264 WeakPolarHBondContact O-CG2 3.39Å; V262-V264 PolarHBondContact O-N 2.99Å; V264-A299 HydrophobicContact CG1-CB 3.51Å; V264-L303 HydrophobicContact CB-CD2 4.15Å; V264-L303 WeakPolarHBondContact O-CD2 3.44Å
265	A	90	Very high	92.3	Very high	11 Å²	11	9.6 Å²	9.6	9%	0.091	6%	0.056	C	C	.	.	H	α-helix	trans	-69	-47.3	177.3	0	0	0	0	0	112.7	E222 M225 G261 V262	E222-A265 HydrophobicContact CB-CB 3.81Å; E222-A265 HydrophobicContact CG-CB 4.26Å; E222-A265 WeakPolarHBondContact OE2-CA 3.25Å; E222-A265 WeakPolarHBondContact OE2-CB 3.46Å; E222-A265 VanDerWaalsContact OE2-O 3.06Å; M225-A265 HydrophobicContact CB-CB 4.35Å; M225-A265 HydrophobicContact SD-CB 3.98Å; G261-A265 WeakPolarHBondContact O-CB 3.5Å; G261-A265 PolarHBondContact O-N 3.01Å; G261-A265 VanDerWaalsContact O-N 3.14Å; V262-A265 PolarHBondContact O-N 3.35Å
266	F	86	Confident	92.1	Very high	7 Å²	7	9.4 Å²	9.4	3%	0.031	6%	0.055	C	C	.	.	H	α-helix	trans	-104.7	-8.6	-177.2	-60.8	-71.8	0	0	0	113.6	E222 V262 A268 S315 F460 L464 I531 L535	E222-F266 HydrophobicContact CB-CE1 4.24Å; E222-F266 HydrophobicContact CB-CE2 4.23Å; E222-F266 HydrophobicContact CB-CZ 3.75Å; E222-F266 HydrophobicContact CG-CE1 3.9Å; E222-F266 HydrophobicContact CG-CZ 3.94Å; V262-F266 HydrophobicContact CG1-CD2 3.66Å; V262-F266 HydrophobicContact CG1-CE2 4.02Å; V262-F266 PolarHBondContact O-N 3Å; F266-A268 HydrophobicContact CB-CB 4.13Å; F266-A268 PolarHBondContact O-N 2.89Å; F266-S315 WeakPolarHBondContact O-CB 3.39Å; F266-F460 AromaticContact CE2-CD1 3.98Å; F266-F460 HydrophobicContact CE2-CD1 3.98Å; F266-F460 HydrophobicContact CE2-CE1 4.37Å; F266-F460 HydrophobicContact CZ-CB 3.95Å; F266-F460 AromaticContact CZ-CD1 3.49Å; F266-F460 HydrophobicContact CZ-CD1 3.49Å; F266-F460 VanDerWaalsContact CZ-CD1 3.49Å; F266-F460 HydrophobicContact CZ-CE1 4.32Å; F266-F460 AromaticContact CZ-CG 3.95Å; F266-F460 HydrophobicContact CZ-CG 3.95Å; F266-L464 HydrophobicContact CE1-CD1 4.04Å; F266-I531 HydrophobicContact CB-CG2 3.82Å; F266-I531 HydrophobicContact CD1-CG2 4.26Å; F266-I531 HydrophobicContact CD2-CD1 4.27Å; F266-I531 HydrophobicContact CD2-CG2 4.34Å; F266-I531 HydrophobicContact CG-CG2 3.87Å; F266-L535 HydrophobicContact CB-CD2 4.43Å; F266-L535 WeakPolarHBondContact O-CD2 3.36Å
267	G	87.4	Confident	91.8	Very high	10 Å²	10	12.9 Å²	12.9	10%	0.103	7%	0.073	C	C	.	.	S	Bend	trans	69	21.9	-169.2	0	0	0	0	0	113.3	S263 P269	S263-G267 CarbonylContact O-C 3.5Å; S263-G267 WeakPolarHBondContact O-CA 3.49Å; S263-G267 PolarHBondContact O-N 3.37Å; G267-P269 WeakPolarHBondContact O-CD 3.44Å
268	A	88.8	Confident	91.1	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.079	C	C	.	.			trans	-119.8	84.7	-172.6	0	0	0	0	0	112	S263 F266 I270 G272 I531 E534	S263-A268 PolarHBondContact O-N 2.97Å; F266-A268 HydrophobicContact CB-CB 4.13Å; F266-A268 PolarHBondContact O-N 2.89Å; A268-I270 PolarHBondContact O-N 2.95Å; A268-G272 PolarHBondContact O-N 3.48Å; A268-I531 HydrophobicContact CB-CB 4.34Å; A268-I531 HydrophobicContact CB-CG1 4.14Å; A268-I531 HydrophobicContact CB-CG2 4.18Å; A268-E534 VanDerWaalsContact CA-OE2 3.27Å; A268-E534 WeakPolarHBondContact CA-OE2 3.3Å; A268-E534 HydrophobicContact CB-CB 3.71Å; A268-E534 HydrophobicContact CB-CG 4.33Å
269	P	93.5	Very high	90.2	Very high	30 Å²	30	14.6 Å²	14.6	20%	0.195	8%	0.081	C	C	.	.	H	α-helix	trans	-60.3	-38.9	-179.2	21	-35.4	0	0	0	115.4	S263 G267 V273 A296 E534	S263-P269 WeakPolarHBondContact OG-CA 3.33Å; G267-P269 WeakPolarHBondContact O-CD 3.44Å; P269-V273 VanDerWaalsContact O-CG2 3.26Å; P269-V273 WeakPolarHBondContact O-CG2 3.47Å; P269-V273 PolarHBondContact O-N 3.16Å; P269-A296 HydrophobicContact CB-CB 4.17Å; P269-E534 WeakPolarHBondContact CD-OE2 3.31Å; P269-E534 WeakPolarHBondContact CG-OE2 3.2Å; P269-E534 VanDerWaalsContact N-OE2 3.13Å
270	I	93.1	Very high	89.1	Confident	83 Å²	83	15 Å²	15	43%	0.426	8%	0.084	S	C	.	.	H	α-helix	trans	-73.7	-46.3	-178.3	-50.8	173.1	0	0	0	109.2	A268 G272 V273 L274 F293 V530 E534	A268-I270 PolarHBondContact O-N 2.95Å; I270-G272 VanDerWaalsContact C-N 3.29Å; I270-G272 PolarHBondContact O-N 3.29Å; I270-V273 PolarHBondContact O-N 3.08Å; I270-V273 VanDerWaalsContact O-N 3.13Å; I270-L274 HydrophobicContact CG2-CD1 4.28Å; I270-L274 WeakPolarHBondContact O-CG 3.24Å; I270-L274 PolarHBondContact O-N 2.91Å; I270-F293 HydrophobicContact CG1-CE2 4.32Å; I270-V530 HydrophobicContact CB-CG1 3.99Å; I270-V530 HydrophobicContact CG2-CG1 3.94Å; I270-E534 VanDerWaalsContact CA-OE1 3.25Å; I270-E534 WeakPolarHBondContact CA-OE1 3.47Å; I270-E534 WeakPolarHBondContact CB-OE1 3.43Å; I270-E534 PolarHBondContact N-OE1 2.97Å; I270-E534 PolarHBondContact N-OE2 2.84Å
271	G	89.1	Confident	88	Confident	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-55.7	-42.1	174.5	0	0	0	0	0	112.5	V273 L274 F275 E534	G271-V273 PolarHBondContact O-N 3.23Å; G271-L274 PolarHBondContact O-N 2.86Å; G271-F275 WeakPolarHBondContact O-CB 3.22Å; G271-F275 PolarHBondContact O-N 3.23Å; G271-E534 PolarHBondContact N-OE1 3.37Å
272	G	90.6	Very high	86.7	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-64.9	-37.2	175.4	0	0	0	0	0	114.4	A259 A268 I270 S276	A259-G272 WeakPolarHBondContact CA-O 3.5Å; A259-G272 WeakPolarHBondContact CB-O 3.27Å; A268-G272 PolarHBondContact O-N 3.48Å; I270-G272 VanDerWaalsContact C-N 3.29Å; I270-G272 PolarHBondContact O-N 3.29Å; G272-S276 PolarHBondContact O-N 3.18Å
273	V	93.9	Very high	85.6	Confident	6 Å²	6	23.7 Å²	23.7	4%	0.036	12%	0.121	C	C	.	.	H	α-helix	trans	-68.5	-43.5	175.7	175.2	0	0	0	0	111.1	A259 P269 I270 G271 F275 S276 L277 L289 F293 A296	A259-V273 HydrophobicContact CB-CG2 4.19Å; P269-V273 VanDerWaalsContact O-CG2 3.26Å; P269-V273 WeakPolarHBondContact O-CG2 3.47Å; P269-V273 PolarHBondContact O-N 3.16Å; I270-V273 PolarHBondContact O-N 3.08Å; I270-V273 VanDerWaalsContact O-N 3.13Å; G271-V273 PolarHBondContact O-N 3.23Å; V273-F275 VanDerWaalsContact C-N 3.35Å; V273-S276 PolarHBondContact O-N 3.04Å; V273-L277 PolarHBondContact O-N 3.24Å; V273-L277 VanDerWaalsContact O-N 3.09Å; V273-L289 HydrophobicContact CG1-CD1 3.57Å; V273-F293 HydrophobicContact CG2-CB 4.19Å; V273-F293 HydrophobicContact CG2-CD2 4.41Å; V273-A296 HydrophobicContact CG2-CB 4.01Å
274	L	91.8	Very high	84.9	Confident	42 Å²	42	25.5 Å²	25.5	22%	0.22	13%	0.129	C	C	.	.	H	α-helix	trans	-63.8	-41.4	176	-68.5	173.3	0	0	0	111	I270 G271 S276 L277 E278 V526 V530	I270-L274 HydrophobicContact CG2-CD1 4.28Å; I270-L274 WeakPolarHBondContact O-CG 3.24Å; I270-L274 PolarHBondContact O-N 2.91Å; G271-L274 PolarHBondContact O-N 2.86Å; L274-S276 VanDerWaalsContact C-N 3.33Å; L274-S276 PolarHBondContact O-N 2.98Å; L274-L277 WeakPolarHBondContact O-CB 3.39Å; L274-L277 PolarHBondContact O-N 3.06Å; L274-E278 WeakPolarHBondContact O-CB 3.42Å; L274-E278 WeakPolarHBondContact O-CG 3.05Å; L274-E278 PolarHBondContact O-N 3.42Å; L274-V526 HydrophobicContact CD1-CG1 4.49Å; L274-V530 HydrophobicContact CD1-CB 3.98Å; L274-V530 HydrophobicContact CD1-CG1 4.08Å; L274-V530 HydrophobicContact CD1-CG2 3.68Å
275	F	87.9	Confident	84.4	Confident	3 Å²	3	26.5 Å²	26.5	1%	0.013	14%	0.136	C	C	.	.	H	α-helix	trans	-56.9	-47	173.3	176.3	-114	0	0	0	112	I181 V262 G271 V273 L277 E278 E279 A280 F460 F524	I181-F275 HydrophobicContact CD1-CZ 4.25Å; V262-F275 HydrophobicContact CB-CD1 4.19Å; V262-F275 HydrophobicContact CG1-CB 4.34Å; V262-F275 HydrophobicContact CG1-CD1 4.44Å; V262-F275 HydrophobicContact CG2-CD1 3.23Å; V262-F275 HydrophobicContact CG2-CE1 3.52Å; V262-F275 HydrophobicContact CG2-CG 4.07Å; G271-F275 WeakPolarHBondContact O-CB 3.22Å; G271-F275 PolarHBondContact O-N 3.23Å; V273-F275 VanDerWaalsContact C-N 3.35Å; F275-L277 PolarHBondContact O-N 3.11Å; F275-E278 PolarHBondContact O-N 3.3Å; F275-E279 HydrophobicContact CD2-CB 3.6Å; F275-E279 HydrophobicContact CD2-CG 4.19Å; F275-E279 HydrophobicContact CE2-CB 3.51Å; F275-E279 HydrophobicContact CE2-CG 3.57Å; F275-E279 HydrophobicContact CG-CB 4.45Å; F275-E279 HydrophobicContact CZ-CB 4.13Å; F275-E279 HydrophobicContact CZ-CG 3.96Å; F275-E279 WeakPolarHBondContact O-CB 3.42Å; F275-E279 PolarHBondContact O-N 2.8Å; F275-A280 PolarHBondContact O-N 2.92Å; F275-F460 HydrophobicContact CZ-CZ 4.22Å; F275-F524 HydrophobicContact CB-CE2 3.82Å; F275-F524 AromaticContact CD2-CD2 3.31Å; F275-F524 HydrophobicContact CD2-CD2 3.31Å; F275-F524 AromaticContact CD2-CE2 2.99Å; F275-F524 HydrophobicContact CD2-CE2 2.99Å; F275-F524 AromaticContact CD2-CZ 3.98Å; F275-F524 HydrophobicContact CD2-CZ 3.98Å; F275-F524 AromaticContact CE2-CD2 3.83Å; F275-F524 HydrophobicContact CE2-CD2 3.83Å; F275-F524 AromaticContact CE2-CE2 3.68Å; F275-F524 HydrophobicContact CE2-CE2 3.68Å; F275-F524 HydrophobicContact CE2-CZ 4.43Å; F275-F524 HydrophobicContact CG-CD2 4.38Å; F275-F524 AromaticContact CG-CE2 3.77Å; F275-F524 HydrophobicContact CG-CE2 3.77Å
276	S	89.9	Confident	84.4	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.161	C	C	.	.	I	π-helix	trans	-64	-28	179	176.9	0	0	0	0	112.8	S255 G272 V273 L274 S281	S255-S276 PolarHBondContact O-OG 3.42Å; G272-S276 PolarHBondContact O-N 3.18Å; V273-S276 PolarHBondContact O-N 3.04Å; L274-S276 VanDerWaalsContact C-N 3.33Å; L274-S276 PolarHBondContact O-N 2.98Å; S276-S281 VanDerWaalsContact O-CB 3.29Å; S276-S281 WeakPolarHBondContact O-CB 3.5Å; S276-S281 PolarHBondContact O-N 3.06Å; S276-S281 PolarHBondContact O-OG 2.68Å
277	L	87.9	Confident	84.5	Confident	73 Å²	73	38.8 Å²	38.8	38%	0.382	19%	0.192	S	C	.	.	I	π-helix	trans	-79	-45.5	177.2	-176.1	154.7	0	0	0	110.9	V273 L274 F275 F284 L289	V273-L277 PolarHBondContact O-N 3.24Å; V273-L277 VanDerWaalsContact O-N 3.09Å; L274-L277 WeakPolarHBondContact O-CB 3.39Å; L274-L277 PolarHBondContact O-N 3.06Å; F275-L277 PolarHBondContact O-N 3.11Å; L277-F284 HydrophobicContact CB-CD1 4.35Å; L277-F284 HydrophobicContact CB-CE1 4.35Å; L277-F284 HydrophobicContact CD1-CD1 3.77Å; L277-F284 HydrophobicContact CD1-CE1 3.98Å; L277-F284 HydrophobicContact CG-CD1 4.06Å; L277-F284 HydrophobicContact CG-CE1 4.44Å; L277-F284 HydrophobicContact CG-CG 4.38Å; L277-L289 HydrophobicContact CD1-CD1 4.17Å
278	E	82.9	Confident	84.7	Confident	29 Å²	29	38.3 Å²	38.3	14%	0.136	19%	0.187	C	C	.	.	I	π-helix	trans	-76	-45.2	-175.4	-75.5	168.3	-158.1	0	0	112.6	L274 F275 F523 F524 V526 S527 K580	L274-E278 WeakPolarHBondContact O-CB 3.42Å; L274-E278 WeakPolarHBondContact O-CG 3.05Å; L274-E278 PolarHBondContact O-N 3.42Å; F275-E278 PolarHBondContact O-N 3.3Å; E278-F523 VanDerWaalsContact OE2-O 3.06Å; E278-F524 WeakPolarHBondContact OE2-CA 3.46Å; E278-V526 WeakPolarHBondContact OE1-CB 3.15Å; E278-S527 PolarHBondContact OE1-N 3.27Å; E278-S527 VanDerWaalsContact OE2-CB 3.29Å; E278-S527 WeakPolarHBondContact OE2-CB 3.27Å; E278-S527 PolarHBondContact OE2-N 2.84Å; E278-S527 VanDerWaalsContact OE2-N 3.14Å; E278-S527 PolarHBondContact OE2-OG 2.75Å; E278-K580 PolarHBondContact O-NZ 2.89Å
279	E	75.6	Confident	84.9	Confident	6 Å²	6	40.8 Å²	40.8	3%	0.028	20%	0.2	C	C	.	.	I	π-helix	trans	-104.7	-46	-168	-171.6	49.9	-137.4	0	0	112.8	K185 F275	K185-E279 WeakPolarHBondContact CD-OE1 3.28Å; K185-E279 WeakPolarHBondContact CE-OE1 3.48Å; K185-E279 IonicContact NZ-OE1 2.87Å; K185-E279 PolarHBondContact NZ-OE1 3.41Å; F275-E279 HydrophobicContact CD2-CB 3.6Å; F275-E279 HydrophobicContact CD2-CG 4.19Å; F275-E279 HydrophobicContact CE2-CB 3.51Å; F275-E279 HydrophobicContact CE2-CG 3.57Å; F275-E279 HydrophobicContact CG-CB 4.45Å; F275-E279 HydrophobicContact CZ-CB 4.13Å; F275-E279 HydrophobicContact CZ-CG 3.96Å; F275-E279 WeakPolarHBondContact O-CB 3.42Å; F275-E279 PolarHBondContact O-N 2.8Å
280	A	72.5	Confident	84.9	Confident	9 Å²	9	46.5 Å²	46.5	7%	0.074	22%	0.218	C	C	.	.	I	π-helix	trans	-83	-36.5	-168.3	0	0	0	0	0	113.2	L188 A258 F275	L188-A280 WeakPolarHBondContact CB-O 3.3Å; L188-A280 HydrophobicContact CD1-CB 3.53Å; L188-A280 WeakPolarHBondContact CD1-O 3.35Å; A258-A280 HydrophobicContact CB-CB 4.38Å; F275-A280 PolarHBondContact O-N 2.92Å
281	S	73.2	Confident	85	Confident	18 Å²	18	43.7 Å²	43.7	13%	0.126	20%	0.202	C	C	.	.			trans	-110.8	120.6	-161.6	-53	0	0	0	0	114.3	S255 S276	S255-S281 WeakPolarHBondContact CB-OG 3.28Å; S255-S281 PolarHBondContact OG-OG 2.92Å; S276-S281 VanDerWaalsContact O-CB 3.29Å; S276-S281 WeakPolarHBondContact O-CB 3.5Å; S276-S281 PolarHBondContact O-N 3.06Å; S276-S281 PolarHBondContact O-OG 2.68Å
282	Y	68	Low	85.3	Confident	53 Å²	53	43.7 Å²	43.7	21%	0.208	20%	0.202	C	C	.	.	S	Bend	trans	-61.7	-45.7	167.5	177.8	-63.8	0	0	0	111.4	N579 R713 K714	Y282-N579 WeakPolarHBondContact CD2-ND2 3.4Å; Y282-N579 WeakPolarHBondContact CD2-OD1 3.3Å; Y282-N579 HydrophobicContact CE2-CB 4.23Å; Y282-N579 WeakPolarHBondContact CE2-ND2 3.36Å; Y282-N579 WeakPolarHBondContact CE2-OD1 3.37Å; Y282-R713 WeakPolarHBondContact CE1-O 3.29Å; Y282-R713 VanDerWaalsContact CE2-C 3.41Å; Y282-R713 HydrophobicContact CE2-CB 3.68Å; Y282-R713 HydrophobicContact CE2-CG 4.17Å; Y282-R713 WeakPolarHBondContact CE2-O 3.45Å; Y282-R713 VanDerWaalsContact OH-CA 3.31Å; Y282-R713 WeakPolarHBondContact OH-CA 3.18Å; Y282-R713 WeakPolarHBondContact OH-CB 3.15Å; Y282-R713 PolarHBondContact OH-O 2.81Å; Y282-R713 VanDerWaalsContact OH-O 3.07Å; Y282-K714 VanDerWaalsContact OH-CA 3.26Å; Y282-K714 WeakPolarHBondContact OH-CA 3.47Å; Y282-K714 PolarHBondContact OH-N 3.44Å
283	Y	69.6	Low	85.6	Confident	112 Å²	112	47.5 Å²	47.5	44%	0.439	22%	0.219	S	C	.	.			trans	-128.4	118.2	-173.8	176.4	-107.7	0	0	0	108.9	W34 P285	W34-Y283 HydrophobicContact CZ3-CD1 4.19Å; Y283-P285 HydrophobicContact CD1-CG 4.31Å; Y283-P285 HydrophobicContact CE1-CB 4.11Å; Y283-P285 HydrophobicContact CE1-CG 3.76Å
284	F	78	Confident	85.7	Confident	38 Å²	38	49.9 Å²	49.9	17%	0.167	23%	0.229	C	C	.	.			trans	-131.1	84.6	-174.4	-159.9	-96.7	0	0	0	111	L277 T288 L289	L277-F284 HydrophobicContact CB-CD1 4.35Å; L277-F284 HydrophobicContact CB-CE1 4.35Å; L277-F284 HydrophobicContact CD1-CD1 3.77Å; L277-F284 HydrophobicContact CD1-CE1 3.98Å; L277-F284 HydrophobicContact CG-CD1 4.06Å; L277-F284 HydrophobicContact CG-CE1 4.44Å; L277-F284 HydrophobicContact CG-CG 4.38Å; F284-T288 HydrophobicContact CD2-CG2 4Å; F284-T288 HydrophobicContact CE2-CG2 3.64Å; F284-T288 HydrophobicContact CZ-CG2 4.07Å; F284-L289 HydrophobicContact CD1-CB 4.2Å; F284-L289 HydrophobicContact CD1-CD1 4.49Å; F284-L289 HydrophobicContact CE1-CB 3.47Å; F284-L289 VanDerWaalsContact CE1-CB 3.47Å; F284-L289 HydrophobicContact CE1-CD1 3.56Å; F284-L289 HydrophobicContact CE1-CG 4.1Å; F284-L289 HydrophobicContact CZ-CB 4.3Å; F284-L289 HydrophobicContact CZ-CD1 4.3Å
285	P	83.8	Confident	86	Confident	27 Å²	27	47.9 Å²	47.9	18%	0.175	22%	0.218	C	C	.	.			trans	-68	150.1	-179	28	-31.8	0	0	0	110.1	Y283 K287 T288 L289	Y283-P285 HydrophobicContact CD1-CG 4.31Å; Y283-P285 HydrophobicContact CE1-CB 4.11Å; Y283-P285 HydrophobicContact CE1-CG 3.76Å; P285-K287 PolarHBondContact O-N 2.63Å; P285-T288 VanDerWaalsContact CG-OG1 3.28Å; P285-T288 WeakPolarHBondContact CG-OG1 2.85Å; P285-T288 WeakPolarHBondContact O-CA 3.03Å; P285-T288 WeakPolarHBondContact O-CB 3.38Å; P285-T288 PolarHBondContact O-N 2.91Å; P285-L289 PolarHBondContact O-N 3.45Å
286	L	88.5	Confident	86.4	Confident	120 Å²	120	47.8 Å²	47.8	63%	0.628	22%	0.218	S	C	*	.	H	α-helix	trans	-54.4	-29.7	-178.2	-172	66.8	0	0	0	113.5	T288 L289 W290	L286-T288 VanDerWaalsContact C-N 3.32Å; L286-T288 PolarHBondContact O-N 3.25Å; L286-L289 HydrophobicContact CD1-CB 4.44Å; L286-L289 HydrophobicContact CD1-CD2 3.69Å; L286-L289 WeakPolarHBondContact O-CB 3.38Å; L286-L289 PolarHBondContact O-N 3.16Å; L286-W290 PolarHBondContact O-N 3.47Å
287	K	88.8	Confident	86.7	Confident	155 Å²	155	51 Å²	51	67%	0.674	24%	0.235	S	C	*	.	H	α-helix	trans	-66.5	-33.4	173.9	-66.8	-175.5	-180	-179.1	0	112.8	P285 R291	P285-K287 PolarHBondContact O-N 2.63Å; K287-R291 WeakPolarHBondContact O-CG 3.31Å; K287-R291 PolarHBondContact O-N 3.4Å
288	T	91	Very high	87.1	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.006	22%	0.223	C	C	.	.	H	α-helix	trans	-71.7	-38.9	173.9	-59.2	0	0	0	0	110.1	E252 F284 P285 L286 W290 R291 S292	E252-T288 HydrophobicContact CB-CG2 4.21Å; E252-T288 WeakPolarHBondContact CB-OG1 3.1Å; E252-T288 WeakPolarHBondContact CG-OG1 2.81Å; E252-T288 WeakPolarHBondContact O-CG2 3.17Å; F284-T288 HydrophobicContact CD2-CG2 4Å; F284-T288 HydrophobicContact CE2-CG2 3.64Å; F284-T288 HydrophobicContact CZ-CG2 4.07Å; P285-T288 VanDerWaalsContact CG-OG1 3.28Å; P285-T288 WeakPolarHBondContact CG-OG1 2.85Å; P285-T288 WeakPolarHBondContact O-CA 3.03Å; P285-T288 WeakPolarHBondContact O-CB 3.38Å; P285-T288 PolarHBondContact O-N 2.91Å; L286-T288 VanDerWaalsContact C-N 3.32Å; L286-T288 PolarHBondContact O-N 3.25Å; T288-W290 PolarHBondContact O-N 3.37Å; T288-R291 PolarHBondContact O-N 2.84Å; T288-R291 VanDerWaalsContact O-N 3.13Å; T288-S292 WeakPolarHBondContact O-CB 3.22Å; T288-S292 PolarHBondContact O-N 3.26Å; T288-S292 PolarHBondContact O-OG 2.91Å
289	L	93.5	Very high	87.8	Confident	51 Å²	51	47.5 Å²	47.5	27%	0.267	22%	0.217	S	C	.	.	H	α-helix	trans	-50.2	-55.4	173.8	-176.1	71.2	0	0	0	112.2	V273 L277 F284 P285 L286 R291 S292 F293	V273-L289 HydrophobicContact CG1-CD1 3.57Å; L277-L289 HydrophobicContact CD1-CD1 4.17Å; F284-L289 HydrophobicContact CD1-CB 4.2Å; F284-L289 HydrophobicContact CD1-CD1 4.49Å; F284-L289 HydrophobicContact CE1-CB 3.47Å; F284-L289 VanDerWaalsContact CE1-CB 3.47Å; F284-L289 HydrophobicContact CE1-CD1 3.56Å; F284-L289 HydrophobicContact CE1-CG 4.1Å; F284-L289 HydrophobicContact CZ-CB 4.3Å; F284-L289 HydrophobicContact CZ-CD1 4.3Å; P285-L289 PolarHBondContact O-N 3.45Å; L286-L289 HydrophobicContact CD1-CB 4.44Å; L286-L289 HydrophobicContact CD1-CD2 3.69Å; L286-L289 WeakPolarHBondContact O-CB 3.38Å; L286-L289 PolarHBondContact O-N 3.16Å; L289-R291 VanDerWaalsContact C-N 3.32Å; L289-R291 PolarHBondContact O-N 2.79Å; L289-S292 PolarHBondContact O-N 3.38Å; L289-F293 WeakPolarHBondContact O-CB 3.47Å; L289-F293 PolarHBondContact O-N 3.5Å
290	W	94.2	Very high	88.6	Confident	151 Å²	151	47.8 Å²	47.8	57%	0.572	22%	0.221	S	C	*	.	H	α-helix	trans	-64.3	-34.4	-179.4	-76.7	106.2	0	0	0	113.5	W70 L286 T288 F294	W70-W290 HydrophobicContact CH2-CB 4.33Å; L286-W290 PolarHBondContact O-N 3.47Å; T288-W290 PolarHBondContact O-N 3.37Å; W290-F294 WeakPolarHBondContact O-CB 3.35Å; W290-F294 PolarHBondContact O-N 3.48Å
291	R	94.7	Very high	89.6	Confident	24 Å²	24	50.7 Å²	50.7	9%	0.091	24%	0.235	C	C	.	.	H	α-helix	trans	-71.4	-39.9	175.1	-73.1	-177.7	-162.3	144.4	3.2	112.2	V73 Y243 E252 K287 T288 L289 F293 F294 C295	V73-R291 HydrophobicContact CG1-CB 4.29Å; V73-R291 HydrophobicContact CG2-CB 4.49Å; Y243-R291 PolarHBondContact OH-NH1 2.94Å; E252-R291 IonicContact OE2-CZ 2.72Å; E252-R291 IonicContact OE2-NH1 2.87Å; E252-R291 PolarHBondContact OE2-NH1 3.26Å; K287-R291 WeakPolarHBondContact O-CG 3.31Å; K287-R291 PolarHBondContact O-N 3.4Å; T288-R291 PolarHBondContact O-N 2.84Å; T288-R291 VanDerWaalsContact O-N 3.13Å; L289-R291 VanDerWaalsContact C-N 3.32Å; L289-R291 PolarHBondContact O-N 2.79Å; R291-F293 VanDerWaalsContact C-N 3.35Å; R291-F294 PolarHBondContact O-N 2.95Å; R291-C295 VanDerWaalsContact O-CB 3.24Å; R291-C295 WeakPolarHBondContact O-CB 3.48Å; R291-C295 PolarHBondContact O-N 3.48Å
292	S	95.6	Very high	90.6	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-61.9	-45.2	174.6	-62.2	0	0	0	0	110.4	A256 T288 L289 C295 A296	A256-S292 VanDerWaalsContact CA-OG 3.25Å; A256-S292 WeakPolarHBondContact CA-OG 3.36Å; T288-S292 WeakPolarHBondContact O-CB 3.22Å; T288-S292 PolarHBondContact O-N 3.26Å; T288-S292 PolarHBondContact O-OG 2.91Å; L289-S292 PolarHBondContact O-N 3.38Å; S292-C295 WeakPolarHBondContact O-CB 3.24Å; S292-C295 PolarHBondContact O-N 3.37Å; S292-A296 VanDerWaalsContact O-CB 3.29Å; S292-A296 WeakPolarHBondContact O-CB 3.4Å; S292-A296 PolarHBondContact O-N 3.06Å
293	F	95.8	Very high	91.7	Very high	79 Å²	79	48.6 Å²	48.6	35%	0.346	23%	0.227	S	C	.	.	H	α-helix	trans	-58.4	-48.7	175.5	-177.4	-98	0	0	0	112.1	I270 V273 L289 R291 C295 A296 L297	I270-F293 HydrophobicContact CG1-CE2 4.32Å; V273-F293 HydrophobicContact CG2-CB 4.19Å; V273-F293 HydrophobicContact CG2-CD2 4.41Å; L289-F293 WeakPolarHBondContact O-CB 3.47Å; L289-F293 PolarHBondContact O-N 3.5Å; R291-F293 VanDerWaalsContact C-N 3.35Å; F293-C295 PolarHBondContact O-N 3.17Å; F293-A296 PolarHBondContact O-N 3.13Å; F293-L297 WeakPolarHBondContact O-CB 3.3Å; F293-L297 PolarHBondContact O-N 3.45Å
294	F	97.1	Very high	92.6	Very high	57 Å²	57	48.8 Å²	48.8	25%	0.25	23%	0.23	C	C	.	.	H	α-helix	trans	-63.3	-42	176.3	-179.4	-99	0	0	0	112.9	W70 V73 L74 W290 R291 L297 I298	W70-F294 HydrophobicContact CE3-CB 4.19Å; W70-F294 AromaticContact CE3-CD1 3.83Å; W70-F294 HydrophobicContact CE3-CD1 3.83Å; W70-F294 HydrophobicContact CE3-CD2 4.42Å; W70-F294 HydrophobicContact CE3-CE1 4.29Å; W70-F294 AromaticContact CE3-CG 3.89Å; W70-F294 HydrophobicContact CE3-CG 3.89Å; W70-F294 HydrophobicContact CZ3-CB 3.59Å; W70-F294 HydrophobicContact CZ3-CD1 4.09Å; W70-F294 HydrophobicContact CZ3-CD2 4.11Å; W70-F294 AromaticContact CZ3-CG 3.67Å; W70-F294 HydrophobicContact CZ3-CG 3.67Å; V73-F294 HydrophobicContact CG2-CD1 3.8Å; V73-F294 HydrophobicContact CG2-CE1 4.35Å; L74-F294 HydrophobicContact CB-CE1 4.1Å; L74-F294 HydrophobicContact CD1-CE1 4.17Å; L74-F294 HydrophobicContact CD1-CZ 4.1Å; W290-F294 WeakPolarHBondContact O-CB 3.35Å; W290-F294 PolarHBondContact O-N 3.48Å; R291-F294 PolarHBondContact O-N 2.95Å; F294-L297 PolarHBondContact O-N 2.88Å; F294-I298 HydrophobicContact CD1-CG1 4.36Å; F294-I298 HydrophobicContact CE1-CG1 4.01Å; F294-I298 HydrophobicContact CE2-CD1 4.26Å; F294-I298 HydrophobicContact CE2-CG1 4.2Å; F294-I298 HydrophobicContact CZ-CD1 4.11Å; F294-I298 HydrophobicContact CZ-CG1 3.92Å; F294-I298 VanDerWaalsContact O-CG1 3.3Å; F294-I298 WeakPolarHBondContact O-CG1 3.18Å; F294-I298 PolarHBondContact O-N 2.86Å
295	C	97.5	Very high	93.2	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-60.2	-47.4	176.3	-164.1	0	0	0	0	111.6	V73 A256 A260 R291 S292 F293 I298 A299	V73-C295 HydrophobicContact CB-CB 3.96Å; V73-C295 HydrophobicContact CG1-CB 4.46Å; V73-C295 PolarHBondContact O-SG 3.3Å; A256-C295 HydrophobicContact CB-CB 4.22Å; A260-C295 HydrophobicContact CB-CB 4.49Å; R291-C295 VanDerWaalsContact O-CB 3.24Å; R291-C295 WeakPolarHBondContact O-CB 3.48Å; R291-C295 PolarHBondContact O-N 3.48Å; S292-C295 WeakPolarHBondContact O-CB 3.24Å; S292-C295 PolarHBondContact O-N 3.37Å; F293-C295 PolarHBondContact O-N 3.17Å; C295-I298 PolarHBondContact O-N 3.48Å; C295-A299 WeakPolarHBondContact O-CB 3.26Å; C295-A299 PolarHBondContact O-N 3.06Å
296	A	96.7	Very high	93.4	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-64.4	-40.2	178.7	0	0	0	0	0	112.4	S263 P269 V273 S292 F293 A299 G300	S263-A296 PolarHBondContact OG-O 2.98Å; P269-A296 HydrophobicContact CB-CB 4.17Å; V273-A296 HydrophobicContact CG2-CB 4.01Å; S292-A296 VanDerWaalsContact O-CB 3.29Å; S292-A296 WeakPolarHBondContact O-CB 3.4Å; S292-A296 PolarHBondContact O-N 3.06Å; F293-A296 PolarHBondContact O-N 3.13Å; A296-A299 PolarHBondContact O-N 3.48Å; A296-G300 PolarHBondContact O-N 2.97Å
297	L	95.8	Very high	93.2	Very high	69 Å²	69	53.5 Å²	53.5	36%	0.361	25%	0.248	S	C	.	.	H	α-helix	trans	-61.1	-50.6	174.6	177.8	68	0	0	0	111.3	F293 F294 A299 G300 L301	F293-L297 WeakPolarHBondContact O-CB 3.3Å; F293-L297 PolarHBondContact O-N 3.45Å; F294-L297 PolarHBondContact O-N 2.88Å; L297-A299 VanDerWaalsContact C-N 3.34Å; L297-A299 PolarHBondContact O-N 2.85Å; L297-G300 PolarHBondContact O-N 2.96Å; L297-L301 HydrophobicContact CD1-CD1 4.24Å; L297-L301 HydrophobicContact CD1-CG 4.33Å; L297-L301 HydrophobicContact CG-CD1 4.03Å; L297-L301 HydrophobicContact CG-CG 4.49Å; L297-L301 WeakPolarHBondContact O-CB 3.33Å; L297-L301 VanDerWaalsContact O-CG 3.28Å; L297-L301 WeakPolarHBondContact O-CG 3.22Å; L297-L301 PolarHBondContact O-N 3.43Å
298	I	97.1	Very high	92.6	Very high	28 Å²	28	46.5 Å²	46.5	14%	0.144	22%	0.218	C	C	.	.	H	α-helix	trans	-62.1	-43	179.2	-65.7	-63.7	0	0	0	110.9	L74 I78 F294 C295 L301 V302	L74-I298 HydrophobicContact CD1-CD1 3.95Å; L74-I298 HydrophobicContact CD1-CG1 3.99Å; L74-I298 HydrophobicContact CD1-CG2 4.12Å; I78-I298 HydrophobicContact CG1-CG2 3.73Å; F294-I298 HydrophobicContact CD1-CG1 4.36Å; F294-I298 HydrophobicContact CE1-CG1 4.01Å; F294-I298 HydrophobicContact CE2-CD1 4.26Å; F294-I298 HydrophobicContact CE2-CG1 4.2Å; F294-I298 HydrophobicContact CZ-CD1 4.11Å; F294-I298 HydrophobicContact CZ-CG1 3.92Å; F294-I298 VanDerWaalsContact O-CG1 3.3Å; F294-I298 WeakPolarHBondContact O-CG1 3.18Å; F294-I298 PolarHBondContact O-N 2.86Å; C295-I298 PolarHBondContact O-N 3.48Å; I298-L301 PolarHBondContact O-N 3.07Å; I298-V302 HydrophobicContact CG2-CG2 4.43Å; I298-V302 WeakPolarHBondContact O-CG2 3.33Å; I298-V302 PolarHBondContact O-N 3.21Å
299	A	96.4	Very high	91.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-62.7	-44.9	179.1	0	0	0	0	0	112	G77 A80 A260 V264 C295 A296 L297 V302 L303	G77-A299 VanDerWaalsContact O-CA 3.29Å; G77-A299 WeakPolarHBondContact O-CA 3.45Å; G77-A299 WeakPolarHBondContact O-CB 3.43Å; A80-A299 HydrophobicContact CB-CB 4.45Å; A260-A299 HydrophobicContact CB-CB 3.92Å; V264-A299 HydrophobicContact CG1-CB 3.51Å; C295-A299 WeakPolarHBondContact O-CB 3.26Å; C295-A299 PolarHBondContact O-N 3.06Å; A296-A299 PolarHBondContact O-N 3.48Å; L297-A299 VanDerWaalsContact C-N 3.34Å; L297-A299 PolarHBondContact O-N 2.85Å; A299-V302 PolarHBondContact O-N 3.16Å; A299-L303 PolarHBondContact O-N 3.07Å
300	G	92.4	Very high	90.5	Very high	11 Å²	11	47.6 Å²	47.6	11%	0.113	23%	0.234	C	C	.	.	H	α-helix	trans	-64.9	-40.5	175.2	0	0	0	0	0	113.2	A296 L297 L303 K304	A296-G300 PolarHBondContact O-N 2.97Å; L297-G300 PolarHBondContact O-N 2.96Å; G300-L303 PolarHBondContact O-N 3.45Å; G300-K304 WeakPolarHBondContact O-CB 3.48Å; G300-K304 PolarHBondContact O-N 2.82Å
301	L	93.3	Very high	89.1	Confident	71 Å²	71	43.7 Å²	43.7	37%	0.372	23%	0.227	S	C	.	.	H	α-helix	trans	-62.3	-44.7	174.8	-75.9	173.7	0	0	0	111.9	L297 I298 L303 K304 F305	L297-L301 HydrophobicContact CD1-CD1 4.24Å; L297-L301 HydrophobicContact CD1-CG 4.33Å; L297-L301 HydrophobicContact CG-CD1 4.03Å; L297-L301 HydrophobicContact CG-CG 4.49Å; L297-L301 WeakPolarHBondContact O-CB 3.33Å; L297-L301 VanDerWaalsContact O-CG 3.28Å; L297-L301 WeakPolarHBondContact O-CG 3.22Å; L297-L301 PolarHBondContact O-N 3.43Å; I298-L301 PolarHBondContact O-N 3.07Å; L301-L303 VanDerWaalsContact C-N 3.35Å; L301-K304 WeakPolarHBondContact O-CB 3.3Å; L301-K304 PolarHBondContact O-N 3.1Å; L301-F305 HydrophobicContact CB-CE2 4.37Å; L301-F305 WeakPolarHBondContact O-CD2 3.48Å; L301-F305 PolarHBondContact O-N 3.42Å
302	V	94.9	Very high	87.7	Confident	25 Å²	25	49.9 Å²	49.9	15%	0.152	26%	0.257	C	S	.	.	H	α-helix	trans	-63.7	-42.2	177.8	169.5	0	0	0	0	111.1	I78 I298 A299 K304 F305 I306	I78-V302 HydrophobicContact CG1-CG2 4.21Å; I298-V302 HydrophobicContact CG2-CG2 4.43Å; I298-V302 WeakPolarHBondContact O-CG2 3.33Å; I298-V302 PolarHBondContact O-N 3.21Å; A299-V302 PolarHBondContact O-N 3.16Å; V302-K304 VanDerWaalsContact C-N 3.31Å; V302-K304 PolarHBondContact O-N 2.81Å; V302-F305 PolarHBondContact O-N 3.19Å; V302-I306 HydrophobicContact CG1-CD1 3.97Å; V302-I306 WeakPolarHBondContact O-CG1 3.43Å; V302-I306 PolarHBondContact O-N 2.86Å
303	L	90.6	Very high	86.2	Confident	2 Å²	2	53.7 Å²	53.7	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-61	-41.8	174.1	-172.5	65.8	0	0	0	111.5	A84 V264 A299 G300 L301 F305 I306 N307 P308	A84-L303 HydrophobicContact CB-CD1 4.35Å; V264-L303 HydrophobicContact CB-CD2 4.15Å; V264-L303 WeakPolarHBondContact O-CD2 3.44Å; A299-L303 PolarHBondContact O-N 3.07Å; G300-L303 PolarHBondContact O-N 3.45Å; L301-L303 VanDerWaalsContact C-N 3.35Å; L303-F305 PolarHBondContact O-N 2.79Å; L303-I306 PolarHBondContact O-N 2.97Å; L303-N307 PolarHBondContact O-N 3.24Å; L303-P308 HydrophobicContact CD1-CG 3.92Å; L303-P308 HydrophobicContact CG-CG 4.47Å; L303-P308 WeakPolarHBondContact O-CD 2.95Å
304	K	88.6	Confident	84.3	Confident	115 Å²	115	52 Å²	52	50%	0.5	27%	0.271	S	S	.	.	H	α-helix	trans	-61.1	-41.6	174.8	-167.2	170.8	-177.8	169.3	0	112.5	G300 L301 V302 N307 T314	G300-K304 WeakPolarHBondContact O-CB 3.48Å; G300-K304 PolarHBondContact O-N 2.82Å; L301-K304 WeakPolarHBondContact O-CB 3.3Å; L301-K304 PolarHBondContact O-N 3.1Å; V302-K304 VanDerWaalsContact C-N 3.31Å; V302-K304 PolarHBondContact O-N 2.81Å; K304-N307 PolarHBondContact O-N 3.11Å; K304-T314 HydrophobicContact CB-CG2 3.65Å; K304-T314 HydrophobicContact CD-CG2 4.02Å; K304-T314 HydrophobicContact CG-CG2 3.88Å
305	F	90.8	Very high	82.6	Confident	172 Å²	172	49.7 Å²	49.7	75%	0.754	26%	0.262	S	S	*	.	H	α-helix	trans	-67.3	-34.7	176.6	-75.8	-59.2	0	0	0	113.1	L301 V302 L303 N307	L301-F305 HydrophobicContact CB-CE2 4.37Å; L301-F305 WeakPolarHBondContact O-CD2 3.48Å; L301-F305 PolarHBondContact O-N 3.42Å; V302-F305 PolarHBondContact O-N 3.19Å; L303-F305 PolarHBondContact O-N 2.79Å; F305-N307 VanDerWaalsContact C-N 3.29Å
306	I	88.5	Confident	80.8	Confident	64 Å²	64	51 Å²	51	33%	0.328	27%	0.269	S	S	.	.	H	α-helix	trans	-69.7	-31.8	174.3	-67.6	167.2	0	0	0	110.7	I89 V302 L303	I89-I306 HydrophobicContact CD1-CG2 4.01Å; V302-I306 HydrophobicContact CG1-CD1 3.97Å; V302-I306 WeakPolarHBondContact O-CG1 3.43Å; V302-I306 PolarHBondContact O-N 2.86Å; L303-I306 PolarHBondContact O-N 2.97Å
307	N	83.9	Confident	79.3	Confident	49 Å²	49	51.6 Å²	51.6	26%	0.262	27%	0.272	S	S	.	.			trans	47.9	60.7	179.9	-170.1	15.3	0	0	0	112.6	L303 K304 F305 F309 G310 T311 E312	L303-N307 PolarHBondContact O-N 3.24Å; K304-N307 PolarHBondContact O-N 3.11Å; F305-N307 VanDerWaalsContact C-N 3.29Å; N307-F309 PolarHBondContact O-N 3.47Å; N307-F309 VanDerWaalsContact O-N 3.07Å; N307-G310 PolarHBondContact O-N 3.18Å; N307-G310 WeakPolarHBondContact OD1-CA 3.49Å; N307-G310 PolarHBondContact OD1-N 3.09Å; N307-T311 PolarHBondContact OD1-N 3.23Å; N307-E312 PolarHBondContact OD1-N 3.03Å
308	P	76.3	Confident	77.8	Confident	7 Å²	7	49.7 Å²	49.7	5%	0.045	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-22.4	-171.9	27.2	-36.4	0	0	0	113.8	D88 I89 L303	D88-P308 HydrophobicContact CB-CB 4Å; D88-P308 HydrophobicContact CB-CG 4.43Å; I89-P308 HydrophobicContact CD1-CB 4.38Å; I89-P308 HydrophobicContact CG1-CB 3.85Å; L303-P308 HydrophobicContact CD1-CG 3.92Å; L303-P308 HydrophobicContact CG-CG 4.47Å; L303-P308 WeakPolarHBondContact O-CD 2.95Å
309	F	72.5	Confident	76.4	Confident	28 Å²	28	49.5 Å²	49.5	12%	0.123	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-16.8	-177.6	-55.1	-62.2	0	0	0	113.8	N307 T311 L316	N307-F309 PolarHBondContact O-N 3.47Å; N307-F309 VanDerWaalsContact O-N 3.07Å; F309-T311 PolarHBondContact O-N 3.17Å; F309-L316 HydrophobicContact CD1-CD1 3.81Å; F309-L316 HydrophobicContact CE1-CD1 4.23Å; F309-L316 HydrophobicContact CG-CD1 4.2Å
310	G	67.1	Low	75	Confident	48 Å²	48	54.7 Å²	54.7	50%	0.495	29%	0.294	S	S	.	.	S	Bend	trans	77.5	1	-175.8	0	0	0	0	0	114.8	N307	N307-G310 PolarHBondContact O-N 3.18Å; N307-G310 WeakPolarHBondContact OD1-CA 3.49Å; N307-G310 PolarHBondContact OD1-N 3.09Å
311	T	65.6	Low	73.8	Confident	69 Å²	69	55 Å²	55	42%	0.423	29%	0.291	S	S	.	.	S	Bend	trans	-97.4	6	-174.1	54.6	0	0	0	0	114.1	N307 F309 Q313	N307-T311 PolarHBondContact OD1-N 3.23Å; F309-T311 PolarHBondContact O-N 3.17Å; T311-Q313 PolarHBondContact O-N 3Å
312	E	65.2	Low	72.5	Confident	154 Å²	154	56.8 Å²	56.8	72%	0.72	31%	0.308	S	S	*	.	S	Bend	trans	59.1	-6.5	-170.4	-58.1	-168.9	168.8	0	0	115.1	N307	N307-E312 PolarHBondContact OD1-N 3.03Å
313	Q	63.3	Low	71.2	Confident	80 Å²	80	57.3 Å²	57.3	37%	0.374	31%	0.309	S	S	.	.			trans	-85.4	142.2	175.6	-66.5	177	-19.4	0	0	110.2	T311 S315 A318	T311-Q313 PolarHBondContact O-N 3Å; Q313-S315 VanDerWaalsContact C-N 3.31Å; Q313-A318 HydrophobicContact CG-CB 4.4Å
314	T	56.9	Low	70.4	Confident	42 Å²	42	64.7 Å²	64.7	26%	0.258	34%	0.341	S	S	.	.	S	Bend	trans	-78.9	-16.5	178.6	44.1	0	0	0	0	113	K304	K304-T314 HydrophobicContact CB-CG2 3.65Å; K304-T314 HydrophobicContact CD-CG2 4.02Å; K304-T314 HydrophobicContact CG-CG2 3.88Å
315	S	61.8	Low	69.8	Low	10 Å²	10	61.5 Å²	61.5	7%	0.07	33%	0.325	C	S	.	.	S	Bend	trans	-128.5	148.7	178.8	76.4	0	0	0	0	110.4	F266 Q313 F317 L535	F266-S315 WeakPolarHBondContact O-CB 3.39Å; Q313-S315 VanDerWaalsContact C-N 3.31Å; S315-F317 PolarHBondContact O-N 2.98Å; S315-L535 VanDerWaalsContact CB-CD2 3.41Å; S315-L535 WeakPolarHBondContact OG-CD2 3.33Å
316	L	59.3	Low	69.2	Low	28 Å²	28	54 Å²	54	15%	0.147	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-8.4	176.9	-166.8	74.3	0	0	0	112.4	F309	F309-L316 HydrophobicContact CD1-CD1 3.81Å; F309-L316 HydrophobicContact CE1-CD1 4.23Å; F309-L316 HydrophobicContact CG-CD1 4.2Å
317	F	65.6	Low	68.9	Low	12 Å²	12	59.9 Å²	59.9	5%	0.053	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-0.9	-165	-53.3	-51.5	0	0	0	114.4	S315 V319 I396 F400 L535	S315-F317 PolarHBondContact O-N 2.98Å; F317-V319 PolarHBondContact O-N 3.33Å; F317-I396 HydrophobicContact CD1-CB 4.1Å; F317-I396 HydrophobicContact CD1-CG2 3.41Å; F317-I396 VanDerWaalsContact CD1-CG2 3.41Å; F317-I396 HydrophobicContact CE1-CB 3.74Å; F317-I396 HydrophobicContact CE1-CD1 4.15Å; F317-I396 HydrophobicContact CE1-CG2 3.49Å; F317-I396 VanDerWaalsContact CE1-CG2 3.49Å; F317-I396 HydrophobicContact CG-CG2 4.3Å; F317-I396 HydrophobicContact CZ-CD1 4.31Å; F317-I396 HydrophobicContact CZ-CG2 4.41Å; F317-F400 HydrophobicContact CB-CD2 4.35Å; F317-F400 HydrophobicContact CB-CE2 4.04Å; F317-F400 HydrophobicContact CD1-CE2 4.37Å; F317-F400 HydrophobicContact CG-CE2 4.44Å; F317-L535 HydrophobicContact CB-CD2 4.38Å; F317-L535 HydrophobicContact CD2-CD1 4.27Å; F317-L535 HydrophobicContact CD2-CD2 3.94Å
318	A	64.1	Low	68.7	Low	29 Å²	29	60 Å²	60	24%	0.24	31%	0.314	C	S	.	.			trans	-71.9	112.6	-172.7	0	0	0	0	0	111.6	Q313 L535	Q313-A318 HydrophobicContact CG-CB 4.4Å; A318-L535 WeakPolarHBondContact CA-O 3.04Å
319	V	66.7	Low	68.9	Low	24 Å²	24	59.9 Å²	59.9	15%	0.145	31%	0.313	C	S	.	.			trans	-131.2	115.5	173.9	-176.9	0	0	0	0	107.4	F317 Y321 F400 R402 M509	F317-V319 PolarHBondContact O-N 3.33Å; V319-Y321 HydrophobicContact CB-CE2 3.9Å; V319-Y321 HydrophobicContact CG1-CD2 4.21Å; V319-Y321 HydrophobicContact CG1-CE2 3.61Å; V319-Y321 WeakPolarHBondContact O-CD2 3.28Å; V319-F400 HydrophobicContact CB-CB 4.48Å; V319-F400 HydrophobicContact CG2-CB 3.78Å; V319-R402 HydrophobicContact CG1-CG 4.39Å; V319-M509 HydrophobicContact CB-CE 3.71Å; V319-M509 HydrophobicContact CG2-CE 4.22Å
320	D	67.2	Low	69.6	Low	109 Å²	109	60.8 Å²	60.8	58%	0.583	32%	0.319	S	S	*	.			trans	-66.4	154.3	171.7	-66.4	-42.2	0	0	0	109.1	R402	D320-R402 PolarHBondContact O-NE 2.94Å; D320-R402 PolarHBondContact O-NH2 3.37Å
321	Y	68.5	Low	70.6	Confident	16 Å²	16	63.7 Å²	63.7	6%	0.063	32%	0.322	C	S	.	.			trans	-135.8	123.6	166.1	-71.5	-99.2	0	0	0	109	V319 M323 F400 R402 E503 G505 M506 M509	V319-Y321 HydrophobicContact CB-CE2 3.9Å; V319-Y321 HydrophobicContact CG1-CD2 4.21Å; V319-Y321 HydrophobicContact CG1-CE2 3.61Å; V319-Y321 WeakPolarHBondContact O-CD2 3.28Å; Y321-M323 PolarHBondContact O-N 3.37Å; Y321-F400 PolarHBondContact OH-O 2.88Å; Y321-R402 HydrophobicContact CD1-CG 4.1Å; Y321-R402 HydrophobicContact CE1-CG 3.8Å; Y321-E503 HydrophobicContact CD1-CG 3.97Å; Y321-E503 HydrophobicContact CE1-CG 3.69Å; Y321-G505 WeakPolarHBondContact OH-CA 3.33Å; Y321-G505 PolarHBondContact OH-O 3.44Å; Y321-M506 VanDerWaalsContact CB-SD 3.51Å; Y321-M506 HydrophobicContact CD1-CG 3.91Å; Y321-M506 HydrophobicContact CD1-SD 3.28Å; Y321-M506 WeakPolarHBondContact CD1-SD 3.3Å; Y321-M506 HydrophobicContact CD2-CE 4.43Å; Y321-M506 HydrophobicContact CD2-SD 3.41Å; Y321-M506 WeakPolarHBondContact CD2-SD 3.5Å; Y321-M506 HydrophobicContact CE1-CG 4.04Å; Y321-M506 HydrophobicContact CE1-SD 3.66Å; Y321-M506 HydrophobicContact CE2-SD 3.83Å; Y321-M506 HydrophobicContact CG-CG 4.32Å; Y321-M506 HydrophobicContact CG-SD 3.1Å; Y321-M509 HydrophobicContact CD2-CE 4.43Å; Y321-M509 HydrophobicContact CD2-SD 4.01Å; Y321-M509 HydrophobicContact CE2-CE 3.53Å; Y321-M509 HydrophobicContact CE2-SD 3.29Å; Y321-M509 WeakPolarHBondContact CE2-SD 3.24Å
322	P	64.9	Low	71.5	Confident	110 Å²	110	60.9 Å²	60.9	71%	0.714	31%	0.305	S	S	*	.			trans	-81.9	-0.4	-179.5	33.4	-38.3	0	0	0	113.4	R402	P322-R402 VanDerWaalsContact CD-NH1 3.34Å
323	M	67.9	Low	72.5	Confident	35 Å²	35	53.6 Å²	53.6	17%	0.172	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-93.3	136.2	-175.2	172.2	-162.9	-72.4	0	0	110.9	Y321 T500 E503 F541	Y321-M323 PolarHBondContact O-N 3.37Å; M323-T500 WeakPolarHBondContact CE-O 3.46Å; M323-E503 HydrophobicContact CE-CB 3.84Å; M323-E503 HydrophobicContact SD-CB 4.18Å; M323-F541 WeakPolarHBondContact O-CZ 3.44Å
324	K	73.2	Confident	73.7	Confident	157 Å²	157	51.9 Å²	51.9	68%	0.683	26%	0.263	S	S	*	.	P	Polyproline II helix	trans	-85.1	135.3	166.6	-66.5	179.7	178.2	-177.1	0	110.2	E540	K324-E540 WeakPolarHBondContact CE-OE1 2.98Å; K324-E540 WeakPolarHBondContact CG-OE2 3.43Å
325	W	77.2	Confident	75.1	Confident	48 Å²	48	54.1 Å²	54.1	18%	0.182	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-70.5	149.8	173.9	67.9	-81.4	0	0	0	111.6	Y327 L330 E540 F541 V543 P544	W325-Y327 AromaticContact CH2-CD1 3.99Å; W325-Y327 HydrophobicContact CH2-CD1 3.99Å; W325-Y327 HydrophobicContact CH2-CE1 4.36Å; W325-Y327 HydrophobicContact CZ3-CD1 4.3Å; W325-L330 HydrophobicContact CZ3-CB 4.24Å; W325-E540 VanDerWaalsContact CD1-O 3.24Å; W325-E540 PolarHBondContact NE1-O 3.08Å; W325-F541 HydrophobicContact CB-CD1 4.39Å; W325-F541 HydrophobicContact CB-CE1 4.07Å; W325-F541 HydrophobicContact CG-CD1 4.47Å; W325-F541 HydrophobicContact CG-CE1 4.5Å; W325-V543 HydrophobicContact CH2-CG1 4.17Å; W325-V543 HydrophobicContact CZ2-CB 4.03Å; W325-V543 HydrophobicContact CZ2-CG1 4.12Å; W325-P544 HydrophobicContact CD2-CG 3.48Å; W325-P544 VanDerWaalsContact CD2-CG 3.48Å; W325-P544 HydrophobicContact CE3-CG 3.71Å; W325-P544 HydrophobicContact CG-CG 3.91Å; W325-P544 HydrophobicContact CH2-CG 4.23Å; W325-P544 HydrophobicContact CZ2-CG 4Å; W325-P544 HydrophobicContact CZ3-CG 4.07Å
326	S	77.1	Confident	76.2	Confident	15 Å²	15	54 Å²	54	11%	0.105	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-93.4	145.6	173.7	176.7	0	0	0	0	112.2	I328 E329	S326-I328 PolarHBondContact O-N 3.45Å; S326-E329 PolarHBondContact N-OE1 3.37Å; S326-E329 VanDerWaalsContact O-CB 3.29Å; S326-E329 WeakPolarHBondContact O-CB 3.43Å; S326-E329 PolarHBondContact O-N 2.89Å
327	Y	81.7	Confident	77.3	Confident	187 Å²	187	52.7 Å²	52.7	73%	0.733	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-52.2	-28.4	177.1	-66.1	-70.6	0	0	0	114	W325 E329 L330	W325-Y327 AromaticContact CH2-CD1 3.99Å; W325-Y327 HydrophobicContact CH2-CD1 3.99Å; W325-Y327 HydrophobicContact CH2-CE1 4.36Å; W325-Y327 HydrophobicContact CZ3-CD1 4.3Å; Y327-E329 VanDerWaalsContact C-N 3.3Å; Y327-E329 PolarHBondContact O-N 3.43Å; Y327-L330 WeakPolarHBondContact O-CB 3.36Å; Y327-L330 PolarHBondContact O-N 3.03Å
328	I	81.2	Confident	78.3	Confident	52 Å²	52	53.8 Å²	53.8	27%	0.267	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-69.5	-30.2	179.1	-54.9	-175.9	0	0	0	111.3	S326 L330 I331 P332 W490	S326-I328 PolarHBondContact O-N 3.45Å; I328-L330 PolarHBondContact O-N 3Å; I328-I331 PolarHBondContact O-N 3.44Å; I328-P332 WeakPolarHBondContact O-CD 3.4Å; I328-W490 HydrophobicContact CD1-CB 3.72Å
329	E	80.6	Confident	79.3	Confident	4 Å²	4	58.1 Å²	58.1	2%	0.019	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-65.8	-15.7	175.6	-61	177.8	-128	0	0	112.3	S326 Y327 I331 P332 F333 Y507	S326-E329 PolarHBondContact N-OE1 3.37Å; S326-E329 VanDerWaalsContact O-CB 3.29Å; S326-E329 WeakPolarHBondContact O-CB 3.43Å; S326-E329 PolarHBondContact O-N 2.89Å; Y327-E329 VanDerWaalsContact C-N 3.3Å; Y327-E329 PolarHBondContact O-N 3.43Å; E329-I331 PolarHBondContact O-N 3.11Å; E329-P332 VanDerWaalsContact C-CD 3.48Å; E329-P332 WeakPolarHBondContact O-CD 3.33Å; E329-P332 WeakPolarHBondContact O-CG 3.4Å; E329-F333 VanDerWaalsContact C-CD2 3.48Å; E329-F333 HydrophobicContact CB-CD2 4.1Å; E329-F333 HydrophobicContact CB-CE2 3.68Å; E329-F333 WeakPolarHBondContact O-CD2 3.37Å; E329-F333 WeakPolarHBondContact O-CG 3.38Å; E329-F333 PolarHBondContact O-N 2.82Å; E329-F333 VanDerWaalsContact O-N 3.15Å; E329-Y507 WeakPolarHBondContact CG-OH 3.3Å
330	L	85.9	Confident	80	Confident	48 Å²	48	57.1 Å²	57.1	25%	0.251	28%	0.281	S	S	.	.	H	α-helix	trans	-59.3	-34.9	174.3	-168.8	63.3	0	0	0	112.5	W325 Y327 I328 F333 I334 A547	W325-L330 HydrophobicContact CZ3-CB 4.24Å; Y327-L330 WeakPolarHBondContact O-CB 3.36Å; Y327-L330 PolarHBondContact O-N 3.03Å; I328-L330 PolarHBondContact O-N 3Å; L330-F333 PolarHBondContact O-N 2.83Å; L330-I334 HydrophobicContact CG-CD1 3.99Å; L330-I334 HydrophobicContact CG-CG1 4.47Å; L330-I334 VanDerWaalsContact O-CG1 3.29Å; L330-I334 WeakPolarHBondContact O-CG1 3.29Å; L330-I334 PolarHBondContact O-N 3.15Å; L330-A547 HydrophobicContact CD1-CB 3.69Å
331	I	87.8	Confident	80.7	Confident	108 Å²	108	51.9 Å²	51.9	55%	0.554	25%	0.253	S	S	*	.	H	α-helix	trans	-62.6	-55.1	179.7	-59.1	173.4	0	0	0	111.6	I328 E329 F333 I334 L335	I328-I331 PolarHBondContact O-N 3.44Å; E329-I331 PolarHBondContact O-N 3.11Å; I331-F333 VanDerWaalsContact C-N 3.27Å; I331-F333 PolarHBondContact O-N 2.92Å; I331-I334 PolarHBondContact O-N 3.22Å; I331-L335 HydrophobicContact CG2-CD1 4.33Å; I331-L335 WeakPolarHBondContact O-CG 3.34Å; I331-L335 PolarHBondContact O-N 3.4Å
332	P	86	Confident	81.5	Confident	10 Å²	10	54.5 Å²	54.5	7%	0.065	27%	0.267	C	S	.	.	H	α-helix	trans	-64.2	-29.3	175.9	27.6	-37.9	0	0	0	112.5	I328 E329 L335 L336 M478 Y507	I328-P332 WeakPolarHBondContact O-CD 3.4Å; E329-P332 VanDerWaalsContact C-CD 3.48Å; E329-P332 WeakPolarHBondContact O-CD 3.33Å; E329-P332 WeakPolarHBondContact O-CG 3.4Å; P332-L335 PolarHBondContact O-N 3.09Å; P332-L336 VanDerWaalsContact O-CB 3.26Å; P332-L336 WeakPolarHBondContact O-CB 3.47Å; P332-L336 VanDerWaalsContact O-CG 3.25Å; P332-L336 WeakPolarHBondContact O-CG 3.27Å; P332-L336 PolarHBondContact O-N 3.37Å; P332-M478 HydrophobicContact CB-CE 3.73Å; P332-M478 HydrophobicContact CB-CG 4.24Å; P332-M478 HydrophobicContact CB-SD 4.16Å; P332-M478 HydrophobicContact CG-CE 3.49Å; P332-M478 VanDerWaalsContact CG-CE 3.49Å; P332-M478 HydrophobicContact CG-SD 4.49Å; P332-Y507 HydrophobicContact CB-CE1 3.98Å; P332-Y507 HydrophobicContact CG-CE1 3.88Å
333	F	85.9	Confident	82.4	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.009	25%	0.249	C	C	.	.	H	α-helix	trans	-64.2	-42.3	171.8	-71.5	-57.6	0	0	0	112.4	E329 L330 I331 L336 G337 Y507 A510 P544 A548	E329-F333 VanDerWaalsContact C-CD2 3.48Å; E329-F333 HydrophobicContact CB-CD2 4.1Å; E329-F333 HydrophobicContact CB-CE2 3.68Å; E329-F333 WeakPolarHBondContact O-CD2 3.37Å; E329-F333 WeakPolarHBondContact O-CG 3.38Å; E329-F333 PolarHBondContact O-N 2.82Å; E329-F333 VanDerWaalsContact O-N 3.15Å; L330-F333 PolarHBondContact O-N 2.83Å; I331-F333 VanDerWaalsContact C-N 3.27Å; I331-F333 PolarHBondContact O-N 2.92Å; F333-L336 WeakPolarHBondContact O-CB 3.48Å; F333-G337 PolarHBondContact O-N 3.16Å; F333-Y507 HydrophobicContact CD1-CD1 4.16Å; F333-Y507 HydrophobicContact CD1-CE1 4.24Å; F333-Y507 AromaticContact CE1-CD1 3.65Å; F333-Y507 HydrophobicContact CE1-CD1 3.65Å; F333-Y507 AromaticContact CE1-CE1 3.85Å; F333-Y507 HydrophobicContact CE1-CE1 3.85Å; F333-Y507 HydrophobicContact CE1-CG 4.18Å; F333-Y507 HydrophobicContact CE2-CE1 4.45Å; F333-Y507 HydrophobicContact CZ-CD1 4.12Å; F333-Y507 AromaticContact CZ-CE1 3.96Å; F333-Y507 HydrophobicContact CZ-CE1 3.96Å; F333-A510 HydrophobicContact CD1-CB 3.55Å; F333-A510 HydrophobicContact CE1-CB 3.28Å; F333-A510 HydrophobicContact CZ-CB 4.27Å; F333-P544 HydrophobicContact CD2-CB 3.56Å; F333-P544 HydrophobicContact CD2-CG 4.25Å; F333-P544 HydrophobicContact CE2-CB 3.78Å; F333-P544 HydrophobicContact CE2-CG 4.2Å; F333-P544 HydrophobicContact CG-CB 3.99Å; F333-P544 HydrophobicContact CZ-CB 4.35Å; F333-A548 HydrophobicContact CB-CB 4.47Å; F333-A548 WeakPolarHBondContact O-CB 3.25Å
334	I	87.3	Confident	83.1	Confident	43 Å²	43	50.2 Å²	50.2	22%	0.221	24%	0.241	C	C	.	.	H	α-helix	trans	-64.9	-42.9	175	-70.1	168.1	0	0	0	111.3	L330 I331 G337 T338 A547 F551	L330-I334 HydrophobicContact CG-CD1 3.99Å; L330-I334 HydrophobicContact CG-CG1 4.47Å; L330-I334 VanDerWaalsContact O-CG1 3.29Å; L330-I334 WeakPolarHBondContact O-CG1 3.29Å; L330-I334 PolarHBondContact O-N 3.15Å; I331-I334 PolarHBondContact O-N 3.22Å; I334-G337 CarbonylContact O-C 3.53Å; I334-G337 WeakPolarHBondContact O-CA 3.48Å; I334-G337 PolarHBondContact O-N 3.29Å; I334-T338 PolarHBondContact O-N 2.89Å; I334-A547 HydrophobicContact CG1-CB 4.44Å; I334-F551 HydrophobicContact CB-CD2 4.25Å; I334-F551 HydrophobicContact CB-CE2 4.42Å; I334-F551 HydrophobicContact CD1-CD2 4.37Å; I334-F551 HydrophobicContact CD1-CE2 3.81Å; I334-F551 HydrophobicContact CD1-CZ 4.32Å; I334-F551 HydrophobicContact CG1-CD2 3.79Å; I334-F551 HydrophobicContact CG1-CE2 3.75Å; I334-F551 HydrophobicContact CG2-CB 4.42Å; I334-F551 HydrophobicContact CG2-CD1 3.8Å; I334-F551 HydrophobicContact CG2-CD2 3.73Å; I334-F551 HydrophobicContact CG2-CE1 3.88Å; I334-F551 HydrophobicContact CG2-CE2 3.82Å; I334-F551 HydrophobicContact CG2-CG 3.73Å; I334-F551 HydrophobicContact CG2-CZ 3.89Å
335	L	87.8	Confident	83.6	Confident	90 Å²	90	43 Å²	43	47%	0.471	21%	0.21	S	C	.	.	H	α-helix	trans	-66.2	-44	177.6	-71.8	176.9	0	0	0	111.9	I331 P332 G337 T338 F339	I331-L335 HydrophobicContact CG2-CD1 4.33Å; I331-L335 WeakPolarHBondContact O-CG 3.34Å; I331-L335 PolarHBondContact O-N 3.4Å; P332-L335 PolarHBondContact O-N 3.09Å; L335-G337 PolarHBondContact O-N 2.91Å; L335-T338 PolarHBondContact O-N 3.1Å; L335-T338 PolarHBondContact O-OG1 3.09Å; L335-F339 WeakPolarHBondContact O-CD2 3.28Å; L335-F339 PolarHBondContact O-N 3.43Å; L335-F339 VanDerWaalsContact O-N 3.09Å
336	L	84.4	Confident	84.1	Confident	7 Å²	7	46 Å²	46	4%	0.037	23%	0.228	C	C	.	.	H	α-helix	trans	-51.1	-47.3	168.9	-81.8	-177.8	0	0	0	108.9	P332 F333 T338 F339 G340 V474 Y507 K511 L514	P332-L336 VanDerWaalsContact O-CB 3.26Å; P332-L336 WeakPolarHBondContact O-CB 3.47Å; P332-L336 VanDerWaalsContact O-CG 3.25Å; P332-L336 WeakPolarHBondContact O-CG 3.27Å; P332-L336 PolarHBondContact O-N 3.37Å; F333-L336 WeakPolarHBondContact O-CB 3.48Å; L336-T338 PolarHBondContact O-N 3.39Å; L336-F339 PolarHBondContact O-N 3.48Å; L336-G340 PolarHBondContact O-N 3.11Å; L336-V474 HydrophobicContact CD1-CB 4.09Å; L336-V474 HydrophobicContact CD1-CG1 3.92Å; L336-V474 HydrophobicContact CD2-CB 3.61Å; L336-V474 HydrophobicContact CD2-CG1 3.81Å; L336-V474 HydrophobicContact CD2-CG2 3.33Å; L336-V474 HydrophobicContact CG-CB 4.15Å; L336-V474 HydrophobicContact CG-CG1 3.88Å; L336-V474 HydrophobicContact CG-CG2 4.33Å; L336-Y507 HydrophobicContact CD1-CD1 3.81Å; L336-K511 HydrophobicContact CB-CD 4.21Å; L336-K511 HydrophobicContact CD1-CB 4.45Å; L336-K511 HydrophobicContact CD1-CD 4.1Å; L336-K511 HydrophobicContact CD2-CD 3.48Å; L336-K511 VanDerWaalsContact CD2-CD 3.48Å; L336-K511 HydrophobicContact CG-CD 4.14Å; L336-L514 HydrophobicContact CB-CD2 4.36Å; L336-L514 WeakPolarHBondContact O-CD2 3.49Å
337	G	82.8	Confident	84.6	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-39.2	-64.9	173.4	0	0	0	0	0	114.6	F333 I334 L335 F339 G340 G341 L514 A552	F333-G337 PolarHBondContact O-N 3.16Å; I334-G337 CarbonylContact O-C 3.53Å; I334-G337 WeakPolarHBondContact O-CA 3.48Å; I334-G337 PolarHBondContact O-N 3.29Å; L335-G337 PolarHBondContact O-N 2.91Å; G337-F339 PolarHBondContact O-N 2.88Å; G337-G340 PolarHBondContact O-N 3.39Å; G337-G341 PolarHBondContact O-N 2.71Å; G337-G341 VanDerWaalsContact O-N 3.08Å; G337-L514 VanDerWaalsContact CA-CD1 3.42Å; G337-L514 VanDerWaalsContact N-CD2 3.33Å; G337-A552 WeakPolarHBondContact O-CA 3.13Å; G337-A552 WeakPolarHBondContact O-CB 3.04Å
338	T	86.4	Confident	84.7	Confident	35 Å²	35	37 Å²	37	22%	0.215	19%	0.192	C	C	.	.	H	α-helix	trans	-63.5	-39.9	-178.6	59	0	0	0	0	112.3	I334 L335 L336 G341 I342 F551 V555	I334-T338 PolarHBondContact O-N 2.89Å; L335-T338 PolarHBondContact O-N 3.1Å; L335-T338 PolarHBondContact O-OG1 3.09Å; L336-T338 PolarHBondContact O-N 3.39Å; T338-G341 WeakPolarHBondContact O-CA 3.39Å; T338-G341 PolarHBondContact O-N 3.47Å; T338-I342 PolarHBondContact O-N 3.4Å; T338-I342 VanDerWaalsContact O-N 3.11Å; T338-F551 HydrophobicContact CG2-CB 4.33Å; T338-F551 HydrophobicContact CG2-CD1 4.23Å; T338-V555 HydrophobicContact CG2-CG2 3.92Å
339	F	85	Confident	85	Confident	120 Å²	120	39.5 Å²	39.5	53%	0.526	20%	0.201	S	C	.	.	H	α-helix	trans	-65.9	-39.4	176.3	-74.4	-61.6	0	0	0	112.8	L335 L336 G337 G341 I342 V343	L335-F339 WeakPolarHBondContact O-CD2 3.28Å; L335-F339 PolarHBondContact O-N 3.43Å; L335-F339 VanDerWaalsContact O-N 3.09Å; L336-F339 PolarHBondContact O-N 3.48Å; G337-F339 PolarHBondContact O-N 2.88Å; F339-G341 PolarHBondContact O-N 2.81Å; F339-I342 PolarHBondContact O-N 2.69Å; F339-I342 VanDerWaalsContact O-N 3.17Å; F339-V343 WeakPolarHBondContact O-CG2 3.42Å; F339-V343 PolarHBondContact O-N 3.39Å
340	G	81.8	Confident	85.4	Confident	3 Å²	3	40.6 Å²	40.6	3%	0.031	21%	0.213	C	C	.	.	H	α-helix	trans	-58.4	-40.8	171.8	0	0	0	0	0	111.5	L336 G337 I342 V343 G344	L336-G340 PolarHBondContact O-N 3.11Å; G337-G340 PolarHBondContact O-N 3.39Å; G340-I342 VanDerWaalsContact C-N 3.35Å; G340-I342 PolarHBondContact O-N 2.92Å; G340-V343 PolarHBondContact O-N 3.45Å; G340-G344 PolarHBondContact O-N 3.1Å
341	G	80.5	Confident	85.6	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-55.7	-40	172	0	0	0	0	0	114.7	G337 T338 F339 T345 L518	G337-G341 PolarHBondContact O-N 2.71Å; G337-G341 VanDerWaalsContact O-N 3.08Å; T338-G341 WeakPolarHBondContact O-CA 3.39Å; T338-G341 PolarHBondContact O-N 3.47Å; F339-G341 PolarHBondContact O-N 2.81Å; G341-T345 PolarHBondContact O-OG1 3.47Å; G341-L518 WeakPolarHBondContact O-CD1 3.1Å
342	I	86.5	Confident	85.5	Confident	70 Å²	70	34.2 Å²	34.2	36%	0.359	18%	0.181	S	C	.	.	H	α-helix	trans	-76.5	-48	179.7	-63	166.7	0	0	0	110.2	T338 F339 G340 G344 T345 I346 V555 L559	T338-I342 PolarHBondContact O-N 3.4Å; T338-I342 VanDerWaalsContact O-N 3.11Å; F339-I342 PolarHBondContact O-N 2.69Å; F339-I342 VanDerWaalsContact O-N 3.17Å; G340-I342 VanDerWaalsContact C-N 3.35Å; G340-I342 PolarHBondContact O-N 2.92Å; I342-G344 PolarHBondContact O-N 3.34Å; I342-T345 PolarHBondContact O-N 3.02Å; I342-I346 HydrophobicContact CG2-CD1 3.99Å; I342-I346 WeakPolarHBondContact O-CG1 3.35Å; I342-I346 PolarHBondContact O-N 3.46Å; I342-I346 VanDerWaalsContact O-N 3.11Å; I342-V555 HydrophobicContact CG1-CG1 3.81Å; I342-L559 HydrophobicContact CG1-CD1 4.23Å
343	V	84	Confident	85.8	Confident	55 Å²	55	41.8 Å²	41.8	33%	0.333	21%	0.208	S	C	.	.	H	α-helix	trans	-64.9	-41.7	-176.4	175.6	0	0	0	0	111.6	F339 G340 T345 I346 F347 I444 L515	F339-V343 WeakPolarHBondContact O-CG2 3.42Å; F339-V343 PolarHBondContact O-N 3.39Å; G340-V343 PolarHBondContact O-N 3.45Å; V343-T345 VanDerWaalsContact C-N 3.31Å; V343-T345 PolarHBondContact O-N 3.46Å; V343-I346 PolarHBondContact O-N 3.42Å; V343-F347 WeakPolarHBondContact O-CB 3.46Å; V343-F347 PolarHBondContact O-N 3.48Å; V343-I444 HydrophobicContact CG1-CD1 4.1Å; V343-L515 HydrophobicContact CB-CD1 4.25Å; V343-L515 HydrophobicContact CG1-CD1 3.95Å
344	G	82.7	Confident	86	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-61.7	-39	176.3	0	0	0	0	0	112.3	G340 I342 F347 I348 L518	G340-G344 PolarHBondContact O-N 3.1Å; I342-G344 PolarHBondContact O-N 3.34Å; G344-F347 WeakPolarHBondContact O-CB 3.44Å; G344-F347 PolarHBondContact O-N 3.35Å; G344-I348 WeakPolarHBondContact O-CD1 3.48Å; G344-I348 VanDerWaalsContact O-CG1 3.26Å; G344-I348 WeakPolarHBondContact O-CG1 3.39Å; G344-I348 PolarHBondContact O-N 2.94Å; G344-L518 VanDerWaalsContact CA-CD1 3.48Å
345	T	84.1	Confident	86	Confident	7 Å²	7	43.3 Å²	43.3	4%	0.043	21%	0.213	C	C	.	.	H	α-helix	trans	-66.7	-42.7	178	-56.7	0	0	0	0	111.8	G341 I342 V343 F347 I348 K349 L559 E560	G341-T345 PolarHBondContact O-OG1 3.47Å; I342-T345 PolarHBondContact O-N 3.02Å; V343-T345 VanDerWaalsContact C-N 3.31Å; V343-T345 PolarHBondContact O-N 3.46Å; T345-F347 VanDerWaalsContact C-N 3.29Å; T345-F347 PolarHBondContact O-N 3.47Å; T345-I348 PolarHBondContact O-N 3.22Å; T345-K349 HydrophobicContact CG2-CD 4.32Å; T345-K349 PolarHBondContact O-N 3.16Å; T345-L559 HydrophobicContact CG2-CB 3.72Å; T345-L559 HydrophobicContact CG2-CD1 4.46Å; T345-E560 HydrophobicContact CG2-CB 3.7Å
346	I	86.9	Confident	86	Confident	109 Å²	109	45.1 Å²	45.1	56%	0.559	21%	0.214	S	C	*	.	H	α-helix	trans	-60.1	-42.9	174.4	-66.2	168.5	0	0	0	110.2	I342 V343 G350	I342-I346 HydrophobicContact CG2-CD1 3.99Å; I342-I346 WeakPolarHBondContact O-CG1 3.35Å; I342-I346 PolarHBondContact O-N 3.46Å; I342-I346 VanDerWaalsContact O-N 3.11Å; V343-I346 PolarHBondContact O-N 3.42Å; I346-G350 PolarHBondContact O-N 2.97Å
347	F	86.8	Confident	86.2	Confident	7 Å²	7	48.7 Å²	48.7	3%	0.031	23%	0.231	C	C	.	.	H	α-helix	trans	-61	-47.7	177.3	179.5	-84.1	0	0	0	112.1	V343 G344 T345 G350 N351 T447 I448 L459 L519 I564	V343-F347 WeakPolarHBondContact O-CB 3.46Å; V343-F347 PolarHBondContact O-N 3.48Å; G344-F347 WeakPolarHBondContact O-CB 3.44Å; G344-F347 PolarHBondContact O-N 3.35Å; T345-F347 VanDerWaalsContact C-N 3.29Å; T345-F347 PolarHBondContact O-N 3.47Å; F347-G350 PolarHBondContact O-N 3.27Å; F347-N351 HydrophobicContact CE1-CB 4.32Å; F347-N351 WeakPolarHBondContact O-CB 3.43Å; F347-N351 PolarHBondContact O-N 3.31Å; F347-T447 HydrophobicContact CE2-CG2 3.83Å; F347-T447 HydrophobicContact CZ-CG2 3.79Å; F347-I448 HydrophobicContact CD2-CD1 4.1Å; F347-I448 HydrophobicContact CD2-CG1 3.43Å; F347-I448 VanDerWaalsContact CD2-CG1 3.43Å; F347-I448 HydrophobicContact CE2-CB 4.37Å; F347-I448 HydrophobicContact CE2-CG1 3.46Å; F347-I448 VanDerWaalsContact CE2-CG1 3.46Å; F347-I448 HydrophobicContact CG-CG1 4.26Å; F347-I448 HydrophobicContact CZ-CG1 4.32Å; F347-L459 HydrophobicContact CE1-CD1 4.1Å; F347-L459 HydrophobicContact CE1-CD2 4.11Å; F347-L459 HydrophobicContact CZ-CD1 3.8Å; F347-L519 HydrophobicContact CD1-CD2 3.22Å; F347-L519 HydrophobicContact CE1-CD2 3.59Å; F347-L519 HydrophobicContact CG-CD2 4.15Å; F347-I564 HydrophobicContact CD1-CD1 4.26Å; F347-I564 HydrophobicContact CE1-CD1 3.71Å
348	I	84.3	Confident	86.3	Confident	8 Å²	8	49.8 Å²	49.8	4%	0.041	24%	0.235	C	C	.	.	H	α-helix	trans	-62	-50.4	179.8	-63.9	157.5	0	0	0	110.2	G344 T345 G350 N351 V352 L518 L519 I564	G344-I348 WeakPolarHBondContact O-CD1 3.48Å; G344-I348 VanDerWaalsContact O-CG1 3.26Å; G344-I348 WeakPolarHBondContact O-CG1 3.39Å; G344-I348 PolarHBondContact O-N 2.94Å; T345-I348 PolarHBondContact O-N 3.22Å; I348-G350 VanDerWaalsContact C-N 3.32Å; I348-G350 PolarHBondContact O-N 2.97Å; I348-N351 PolarHBondContact O-N 2.9Å; I348-V352 HydrophobicContact CG2-CG2 4.17Å; I348-V352 WeakPolarHBondContact O-CB 3.41Å; I348-V352 VanDerWaalsContact O-CG2 3.25Å; I348-V352 WeakPolarHBondContact O-CG2 3.29Å; I348-V352 PolarHBondContact O-N 3.05Å; I348-L518 HydrophobicContact CD1-CB 4.17Å; I348-L518 WeakPolarHBondContact CD1-O 3.37Å; I348-L519 HydrophobicContact CG1-CD2 4.07Å; I348-I564 HydrophobicContact CG1-CB 4.43Å; I348-I564 HydrophobicContact CG1-CG1 4.45Å
349	K	87.6	Confident	86.1	Confident	103 Å²	103	53.4 Å²	53.4	45%	0.448	25%	0.245	S	C	.	.	H	α-helix	trans	-58.5	-45.4	177.5	-75.6	-176.8	176.2	172.7	0	111.3	T345 R353 L559 E560	T345-K349 HydrophobicContact CG2-CD 4.32Å; T345-K349 PolarHBondContact O-N 3.16Å; K349-R353 WeakPolarHBondContact O-CB 2.98Å; K349-R353 PolarHBondContact O-N 3.42Å; K349-L559 PolarHBondContact NZ-O 3.13Å; K349-E560 WeakPolarHBondContact CE-OE2 3.21Å; K349-E560 IonicContact NZ-OE2 3.88Å; K349-E560 PolarHBondContact NZ-OE2 3.46Å
350	G	89.5	Confident	85.9	Confident	28 Å²	28	53.6 Å²	53.6	29%	0.289	25%	0.251	S	S	.	.	H	α-helix	trans	-60.2	-48.9	176.9	0	0	0	0	0	112.5	I346 F347 I348 R353 W354	I346-G350 PolarHBondContact O-N 2.97Å; F347-G350 PolarHBondContact O-N 3.27Å; I348-G350 VanDerWaalsContact C-N 3.32Å; I348-G350 PolarHBondContact O-N 2.97Å; G350-R353 PolarHBondContact O-N 3.31Å; G350-W354 WeakPolarHBondContact O-CB 3.25Å; G350-W354 PolarHBondContact O-N 3.38Å
351	N	89.3	Confident	86	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-67.4	-45.6	-179.6	-179.6	-97.8	0	0	0	112.6	F347 I348 R353 W354 C355 I448 F451 H568	F347-N351 HydrophobicContact CE1-CB 4.32Å; F347-N351 WeakPolarHBondContact O-CB 3.43Å; F347-N351 PolarHBondContact O-N 3.31Å; I348-N351 PolarHBondContact O-N 2.9Å; N351-R353 VanDerWaalsContact C-N 3.34Å; N351-R353 PolarHBondContact O-N 3.22Å; N351-W354 PolarHBondContact O-N 2.88Å; N351-C355 WeakPolarHBondContact O-CB 3.14Å; N351-C355 PolarHBondContact O-N 2.72Å; N351-C355 PolarHBondContact O-SG 3Å; N351-I448 HydrophobicContact CB-CG2 4.5Å; N351-I448 PolarHBondContact ND2-O 2.94Å; N351-F451 PolarHBondContact ND2-O 3.48Å; N351-F451 WeakPolarHBondContact OD1-CD1 3.48Å; N351-H568 PolarHBondContact OD1-NE2 3.26Å
352	V	86.5	Confident	86	Confident	21 Å²	21	63.2 Å²	63.2	13%	0.127	30%	0.297	C	S	.	.	H	α-helix	trans	-63.3	-42.1	177.7	173.1	0	0	0	0	110.5	I348 C355 R356 A567	I348-V352 HydrophobicContact CG2-CG2 4.17Å; I348-V352 WeakPolarHBondContact O-CB 3.41Å; I348-V352 VanDerWaalsContact O-CG2 3.25Å; I348-V352 WeakPolarHBondContact O-CG2 3.29Å; I348-V352 PolarHBondContact O-N 3.05Å; V352-C355 PolarHBondContact O-N 3.01Å; V352-R356 VanDerWaalsContact O-CB 3.25Å; V352-R356 WeakPolarHBondContact O-CB 3.35Å; V352-R356 PolarHBondContact O-N 3.19Å; V352-A567 HydrophobicContact CG2-CB 3.7Å
353	R	91.4	Very high	85.5	Confident	169 Å²	169	63.9 Å²	63.9	64%	0.638	30%	0.301	S	S	*	.	H	α-helix	trans	-61	-45.4	175.2	-178.6	62.3	172.1	154.3	-1.3	111.3	K349 G350 N351 R356 M357	K349-R353 WeakPolarHBondContact O-CB 2.98Å; K349-R353 PolarHBondContact O-N 3.42Å; G350-R353 PolarHBondContact O-N 3.31Å; N351-R353 VanDerWaalsContact C-N 3.34Å; N351-R353 PolarHBondContact O-N 3.22Å; R353-R356 PolarHBondContact O-N 2.72Å; R353-M357 WeakPolarHBondContact O-CB 3.04Å; R353-M357 PolarHBondContact O-N 3.26Å
354	W	90.5	Very high	85.1	Confident	65 Å²	65	62.7 Å²	62.7	25%	0.246	30%	0.3	C	S	.	.	H	α-helix	trans	-63.3	-48.3	177.4	-176	-111.3	0	0	0	112	G350 N351 R356 M357 R358 F449	G350-W354 WeakPolarHBondContact O-CB 3.25Å; G350-W354 PolarHBondContact O-N 3.38Å; N351-W354 PolarHBondContact O-N 2.88Å; W354-R356 VanDerWaalsContact C-N 3.34Å; W354-R356 PolarHBondContact O-N 2.87Å; W354-M357 HydrophobicContact CD2-CE 4.19Å; W354-M357 HydrophobicContact CE3-CE 3.22Å; W354-M357 HydrophobicContact CH2-CE 3.92Å; W354-M357 HydrophobicContact CZ3-CE 3.06Å; W354-M357 PolarHBondContact O-N 2.83Å; W354-R358 WeakPolarHBondContact O-CB 2.99Å; W354-R358 PolarHBondContact O-N 3.26Å; W354-F449 AromaticContact CD2-CD1 3.7Å; W354-F449 HydrophobicContact CD2-CD1 3.7Å; W354-F449 AromaticContact CD2-CE1 3.68Å; W354-F449 HydrophobicContact CD2-CE1 3.68Å; W354-F449 AromaticContact CE2-CD1 3.39Å; W354-F449 AromaticContact CE2-CE1 3.72Å; W354-F449 HydrophobicContact CE3-CD1 4.1Å; W354-F449 AromaticContact CE3-CE1 3.57Å; W354-F449 HydrophobicContact CE3-CE1 3.57Å; W354-F449 HydrophobicContact CG-CD1 4.21Å; W354-F449 HydrophobicContact CG-CE1 4.44Å; W354-F449 AromaticContact CH2-CD1 3.99Å; W354-F449 HydrophobicContact CH2-CD1 3.99Å; W354-F449 AromaticContact CH2-CE1 3.64Å; W354-F449 HydrophobicContact CH2-CE1 3.64Å; W354-F449 AromaticContact CZ2-CD1 3.57Å; W354-F449 HydrophobicContact CZ2-CD1 3.57Å; W354-F449 AromaticContact CZ2-CE1 3.73Å; W354-F449 HydrophobicContact CZ2-CE1 3.73Å; W354-F449 HydrophobicContact CZ3-CD1 4.22Å; W354-F449 AromaticContact CZ3-CE1 3.53Å; W354-F449 HydrophobicContact CZ3-CE1 3.53Å; W354-F449 AromaticContact NE1-CD1 3.6Å
355	C	87.2	Confident	85	Confident	12 Å²	12	69.2 Å²	69.2	8%	0.081	33%	0.33	C	S	.	.	H	α-helix	trans	-64.1	-38.2	179	-65.9	0	0	0	0	111.9	N351 V352 R358 R359 L571	N351-C355 WeakPolarHBondContact O-CB 3.14Å; N351-C355 PolarHBondContact O-N 2.72Å; N351-C355 PolarHBondContact O-SG 3Å; V352-C355 PolarHBondContact O-N 3.01Å; C355-R358 WeakPolarHBondContact O-CB 3.14Å; C355-R358 PolarHBondContact O-N 3.15Å; C355-R359 PolarHBondContact O-N 3.24Å; C355-L571 HydrophobicContact CB-CD2 3.42Å; C355-L571 VanDerWaalsContact CB-CD2 3.42Å
356	R	87.8	Confident	85.1	Confident	128 Å²	128	76.1 Å²	76.1	48%	0.483	36%	0.357	S	S	.	.	H	α-helix	trans	-63.5	-43.8	172.9	-172	-179.1	-64.5	177.5	0.6	111.6	V352 R353 W354 R359 N360 L571	V352-R356 VanDerWaalsContact O-CB 3.25Å; V352-R356 WeakPolarHBondContact O-CB 3.35Å; V352-R356 PolarHBondContact O-N 3.19Å; R353-R356 PolarHBondContact O-N 2.72Å; W354-R356 VanDerWaalsContact C-N 3.34Å; W354-R356 PolarHBondContact O-N 2.87Å; R356-R359 PolarHBondContact O-N 3.22Å; R356-N360 PolarHBondContact O-N 3.43Å; R356-N360 VanDerWaalsContact O-N 3.15Å; R356-L571 HydrophobicContact CB-CD1 3.96Å; R356-L571 HydrophobicContact CG-CD1 4.35Å
357	M	88.5	Confident	85	Confident	83 Å²	83	71.6 Å²	71.6	41%	0.409	33%	0.334	S	S	.	.	H	α-helix	trans	-64.1	-40.1	176.1	-173.3	172.8	69.6	0	0	111.8	R353 W354 R359 N360 S361	R353-M357 WeakPolarHBondContact O-CB 3.04Å; R353-M357 PolarHBondContact O-N 3.26Å; W354-M357 HydrophobicContact CD2-CE 4.19Å; W354-M357 HydrophobicContact CE3-CE 3.22Å; W354-M357 HydrophobicContact CH2-CE 3.92Å; W354-M357 HydrophobicContact CZ3-CE 3.06Å; W354-M357 PolarHBondContact O-N 2.83Å; M357-R359 VanDerWaalsContact C-N 3.31Å; M357-R359 PolarHBondContact O-N 2.93Å; M357-N360 PolarHBondContact O-N 3.37Å; M357-S361 WeakPolarHBondContact O-CB 3.21Å; M357-S361 PolarHBondContact O-N 2.87Å; M357-S361 PolarHBondContact O-OG 3.02Å
358	R	86	Confident	85.2	Confident	23 Å²	23	72.8 Å²	72.8	9%	0.087	34%	0.342	C	S	.	.	H	α-helix	trans	-59	-41.6	174.6	-174.4	-173.4	-58	-171.3	1.6	112	W354 C355 G364 E370 F449 G452 I453	W354-R358 WeakPolarHBondContact O-CB 2.99Å; W354-R358 PolarHBondContact O-N 3.26Å; C355-R358 WeakPolarHBondContact O-CB 3.14Å; C355-R358 PolarHBondContact O-N 3.15Å; R358-G364 WeakPolarHBondContact O-CA 3.3Å; R358-G364 PolarHBondContact O-N 3.25Å; R358-E370 VanDerWaalsContact CD-OE1 3.29Å; R358-E370 WeakPolarHBondContact CD-OE1 3.37Å; R358-E370 WeakPolarHBondContact CD-OE2 3.49Å; R358-E370 IonicContact CZ-OE1 3.04Å; R358-E370 IonicContact CZ-OE2 3.13Å; R358-E370 IonicContact NE-OE1 2.75Å; R358-E370 PolarHBondContact NE-OE1 3.46Å; R358-E370 IonicContact NE-OE2 3.92Å; R358-E370 IonicContact NH1-OE1 2.66Å; R358-E370 PolarHBondContact NH1-OE1 2.89Å; R358-E370 IonicContact NH1-OE2 3.57Å; R358-E370 IonicContact NH2-OE1 2.87Å; R358-E370 PolarHBondContact NH2-OE1 3.48Å; R358-F449 PolarHBondContact NH2-O 3.47Å; R358-F449 VanDerWaalsContact NH2-O 3.09Å; R358-G452 PolarHBondContact NH1-O 3.09Å; R358-I453 VanDerWaalsContact NH1-CA 3.28Å
359	R	80.1	Confident	85.5	Confident	111 Å²	111	75.2 Å²	75.2	42%	0.419	36%	0.364	S	S	.	.	H	α-helix	trans	-65.7	-37.4	177.7	-173.3	173.3	174.7	167.3	-0.6	112.6	C355 R356 M357 L571	C355-R359 PolarHBondContact O-N 3.24Å; R356-R359 PolarHBondContact O-N 3.22Å; M357-R359 VanDerWaalsContact C-N 3.31Å; M357-R359 PolarHBondContact O-N 2.93Å; R359-L571 PolarHBondContact NH1-O 2.88Å
360	N	82.2	Confident	85.7	Confident	123 Å²	123	71.2 Å²	71.2	66%	0.658	35%	0.347	S	S	*	.	H	α-helix	trans	-93.6	-15	-175	-66.3	-1.8	0	0	0	114.3	R356 M357	R356-N360 PolarHBondContact O-N 3.43Å; R356-N360 VanDerWaalsContact O-N 3.15Å; M357-N360 PolarHBondContact O-N 3.37Å
361	S	84.4	Confident	85.8	Confident	38 Å²	38	70 Å²	70	27%	0.266	33%	0.333	S	S	.	.	S	Bend	trans	-97.4	168.7	-177.9	65.4	0	0	0	0	112.8	M357 L363 G364	M357-S361 WeakPolarHBondContact O-CB 3.21Å; M357-S361 PolarHBondContact O-N 2.87Å; M357-S361 PolarHBondContact O-OG 3.02Å; S361-L363 PolarHBondContact O-N 3.42Å; S361-L363 VanDerWaalsContact O-N 3.12Å; S361-G364 PolarHBondContact O-N 3.46Å; S361-G364 VanDerWaalsContact O-N 3.15Å
362	K	79.8	Confident	86	Confident	167 Å²	167	73.5 Å²	73.5	73%	0.726	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-58.8	-21.6	175.6	-66.5	-173.3	179.7	-179.4	0	113.6	G364 Q365	K362-G364 PolarHBondContact O-N 3.42Å; K362-Q365 WeakPolarHBondContact O-CB 3.39Å; K362-Q365 PolarHBondContact O-N 3.43Å; K362-Q365 VanDerWaalsContact O-N 3.14Å
363	L	76.5	Confident	86.3	Confident	84 Å²	84	73.8 Å²	73.8	44%	0.44	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-59	-33.1	176.3	-79.9	103.8	0	0	0	112.2	S361 Q365 Y366	S361-L363 PolarHBondContact O-N 3.42Å; S361-L363 VanDerWaalsContact O-N 3.12Å; L363-Q365 PolarHBondContact O-N 3.39Å; L363-Q365 VanDerWaalsContact O-N 3.13Å; L363-Y366 PolarHBondContact O-N 3.05Å; L363-Y366 VanDerWaalsContact O-N 3.07Å
364	G	74.2	Confident	86.4	Confident	30 Å²	30	66.9 Å²	66.9	31%	0.309	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-60.3	-23.7	178.3	0	0	0	0	0	114.3	R358 S361 K362	R358-G364 WeakPolarHBondContact O-CA 3.3Å; R358-G364 PolarHBondContact O-N 3.25Å; S361-G364 PolarHBondContact O-N 3.46Å; S361-G364 VanDerWaalsContact O-N 3.15Å; K362-G364 PolarHBondContact O-N 3.42Å
365	Q	80.7	Confident	86.5	Confident	137 Å²	137	63.9 Å²	63.9	64%	0.64	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-75.9	-24.5	178.3	-62.8	-178.6	-9	0	0	112.8	K362 L363 P367	K362-Q365 WeakPolarHBondContact O-CB 3.39Å; K362-Q365 PolarHBondContact O-N 3.43Å; K362-Q365 VanDerWaalsContact O-N 3.14Å; L363-Q365 PolarHBondContact O-N 3.39Å; L363-Q365 VanDerWaalsContact O-N 3.13Å; Q365-P367 VanDerWaalsContact O-CD 3.22Å; Q365-P367 WeakPolarHBondContact O-CD 3.43Å
366	Y	86.7	Confident	86.9	Confident	153 Å²	153	67.3 Å²	67.3	60%	0.6	34%	0.339	S	S	*	.			trans	-121.4	61.8	-174.2	-59.8	-80.6	0	0	0	112.5	L363 V368 A369 E370	L363-Y366 PolarHBondContact O-N 3.05Å; L363-Y366 VanDerWaalsContact O-N 3.07Å; Y366-V368 VanDerWaalsContact C-N 3.27Å; Y366-V368 PolarHBondContact O-N 2.69Å; Y366-A369 PolarHBondContact O-N 3.28Å; Y366-E370 PolarHBondContact O-N 2.99Å
367	P	85.7	Confident	87.1	Confident	13 Å²	13	65.9 Å²	65.9	8%	0.084	34%	0.34	C	S	.	.	H	α-helix	trans	-64.6	-30.6	-174.7	27.6	-36.9	0	0	0	113.5	Q365 V371 K454	Q365-P367 VanDerWaalsContact O-CD 3.22Å; Q365-P367 WeakPolarHBondContact O-CD 3.43Å; P367-V371 WeakPolarHBondContact O-CG2 3.34Å; P367-V371 PolarHBondContact O-N 3.34Å; P367-V371 VanDerWaalsContact O-N 3.16Å; P367-K454 HydrophobicContact CB-CB 4.41Å; P367-K454 HydrophobicContact CB-CD 3.42Å; P367-K454 VanDerWaalsContact CB-CD 3.42Å; P367-K454 VanDerWaalsContact CB-CE 3.46Å; P367-K454 HydrophobicContact CB-CG 3.89Å; P367-K454 HydrophobicContact CG-CD 4Å
368	V	89.7	Confident	87.3	Confident	32 Å²	32	62.2 Å²	62.2	19%	0.194	32%	0.322	C	S	.	.	H	α-helix	trans	-70.2	-45.2	179.9	179.8	0	0	0	0	110	V166 Y366 E370 V371 F372	V166-V368 HydrophobicContact CG1-CB 4.18Å; V166-V368 HydrophobicContact CG1-CG1 4.02Å; V166-V368 HydrophobicContact CG1-CG2 3.74Å; Y366-V368 VanDerWaalsContact C-N 3.27Å; Y366-V368 PolarHBondContact O-N 2.69Å; V368-E370 VanDerWaalsContact C-N 3.31Å; V368-E370 PolarHBondContact O-N 3.07Å; V368-V371 PolarHBondContact O-N 3.2Å; V368-F372 HydrophobicContact CG1-CD2 3.79Å; V368-F372 HydrophobicContact CG1-CE2 3.57Å; V368-F372 WeakPolarHBondContact O-CD2 3.38Å; V368-F372 PolarHBondContact O-N 2.99Å; V368-F372 VanDerWaalsContact O-N 3.09Å
369	A	91.4	Very high	87.6	Confident	60 Å²	60	61.3 Å²	61.3	50%	0.496	32%	0.319	S	S	.	.	H	α-helix	trans	-64.2	-36.8	177.3	0	0	0	0	0	111.8	Y366 F372 G373	Y366-A369 PolarHBondContact O-N 3.28Å; A369-F372 PolarHBondContact O-N 2.95Å; A369-G373 PolarHBondContact O-N 3.4Å
370	E	91	Very high	88.1	Confident	19 Å²	19	61.7 Å²	61.7	9%	0.089	32%	0.324	C	S	.	.	H	α-helix	trans	-58.2	-47.8	172.1	175.6	179.1	-143.6	0	0	111.6	R358 Y366 V368 F372 G373 V374	R358-E370 VanDerWaalsContact CD-OE1 3.29Å; R358-E370 WeakPolarHBondContact CD-OE1 3.37Å; R358-E370 WeakPolarHBondContact CD-OE2 3.49Å; R358-E370 IonicContact CZ-OE1 3.04Å; R358-E370 IonicContact CZ-OE2 3.13Å; R358-E370 IonicContact NE-OE1 2.75Å; R358-E370 PolarHBondContact NE-OE1 3.46Å; R358-E370 IonicContact NE-OE2 3.92Å; R358-E370 IonicContact NH1-OE1 2.66Å; R358-E370 PolarHBondContact NH1-OE1 2.89Å; R358-E370 IonicContact NH1-OE2 3.57Å; R358-E370 IonicContact NH2-OE1 2.87Å; R358-E370 PolarHBondContact NH2-OE1 3.48Å; Y366-E370 PolarHBondContact O-N 2.99Å; V368-E370 VanDerWaalsContact C-N 3.31Å; V368-E370 PolarHBondContact O-N 3.07Å; E370-F372 VanDerWaalsContact C-N 3.33Å; E370-F372 PolarHBondContact O-N 3.47Å; E370-G373 PolarHBondContact O-N 2.85Å; E370-V374 HydrophobicContact CG-CG2 4.44Å; E370-V374 WeakPolarHBondContact O-CG2 3.33Å; E370-V374 PolarHBondContact O-N 3.49Å
371	V	92.4	Very high	88.4	Confident	1 Å²	1	60 Å²	60	1%	0.006	32%	0.315	C	S	.	.	H	α-helix	trans	-61.4	-45.4	-179.9	-169.7	0	0	0	0	110.8	T162 V166 P367 V368 G373 V374 T375 I453 V455	T162-V371 HydrophobicContact CG2-CG1 3.22Å; V166-V371 HydrophobicContact CG1-CG2 4.27Å; V166-V371 HydrophobicContact CG2-CB 3.65Å; V166-V371 HydrophobicContact CG2-CG1 3.45Å; V166-V371 VanDerWaalsContact CG2-CG1 3.45Å; V166-V371 HydrophobicContact CG2-CG2 3.53Å; P367-V371 WeakPolarHBondContact O-CG2 3.34Å; P367-V371 PolarHBondContact O-N 3.34Å; P367-V371 VanDerWaalsContact O-N 3.16Å; V368-V371 PolarHBondContact O-N 3.2Å; V371-G373 VanDerWaalsContact C-N 3.34Å; V371-G373 PolarHBondContact O-N 2.9Å; V371-V374 PolarHBondContact O-N 3.38Å; V371-T375 WeakPolarHBondContact O-CB 3.4Å; V371-T375 PolarHBondContact O-N 3.02Å; V371-T375 PolarHBondContact O-OG1 2.9Å; V371-I453 HydrophobicContact CB-CG2 3.83Å; V371-I453 HydrophobicContact CG1-CG2 3.76Å; V371-I453 HydrophobicContact CG2-CG2 3.22Å; V371-V455 HydrophobicContact CG1-CG1 3.77Å; V371-V455 HydrophobicContact CG2-CG1 4.4Å
372	F	93.5	Very high	88.5	Confident	74 Å²	74	58.3 Å²	58.3	33%	0.325	30%	0.303	S	S	.	.	H	α-helix	trans	-59.4	-44.9	176.3	-82.3	-67.5	0	0	0	111.8	I159 V368 A369 E370 T375 L376	I159-F372 HydrophobicContact CG2-CD1 3.81Å; I159-F372 HydrophobicContact CG2-CE1 3.76Å; V368-F372 HydrophobicContact CG1-CD2 3.79Å; V368-F372 HydrophobicContact CG1-CE2 3.57Å; V368-F372 WeakPolarHBondContact O-CD2 3.38Å; V368-F372 PolarHBondContact O-N 2.99Å; V368-F372 VanDerWaalsContact O-N 3.09Å; A369-F372 PolarHBondContact O-N 2.95Å; E370-F372 VanDerWaalsContact C-N 3.33Å; E370-F372 PolarHBondContact O-N 3.47Å; F372-T375 PolarHBondContact O-N 2.92Å; F372-L376 VanDerWaalsContact O-CB 3.3Å; F372-L376 WeakPolarHBondContact O-CB 3.42Å; F372-L376 PolarHBondContact O-N 2.87Å
373	G	92.8	Very high	88.8	Confident	28 Å²	28	50.6 Å²	50.6	29%	0.289	27%	0.269	S	S	.	.	H	α-helix	trans	-61.9	-47.6	178.3	0	0	0	0	0	112.8	A369 E370 V371 T375 L376 I377	A369-G373 PolarHBondContact O-N 3.4Å; E370-G373 PolarHBondContact O-N 2.85Å; V371-G373 VanDerWaalsContact C-N 3.34Å; V371-G373 PolarHBondContact O-N 2.9Å; G373-T375 VanDerWaalsContact C-N 3.34Å; G373-T375 PolarHBondContact O-N 3.28Å; G373-L376 PolarHBondContact O-N 3.25Å; G373-I377 VanDerWaalsContact O-CG1 3.26Å; G373-I377 WeakPolarHBondContact O-CG1 3.01Å; G373-I377 PolarHBondContact O-N 3.37Å
374	V	93	Very high	89	Confident	24 Å²	24	51 Å²	51	15%	0.145	28%	0.277	C	S	.	.	H	α-helix	trans	-66.7	-38.1	178.6	177.2	0	0	0	0	111.3	L217 E370 V371 T378 I453	L217-V374 HydrophobicContact CD2-CG1 4.29Å; E370-V374 HydrophobicContact CG-CG2 4.44Å; E370-V374 WeakPolarHBondContact O-CG2 3.33Å; E370-V374 PolarHBondContact O-N 3.49Å; V371-V374 PolarHBondContact O-N 3.38Å; V374-T378 VanDerWaalsContact O-CB 3.27Å; V374-T378 WeakPolarHBondContact O-CB 3.02Å; V374-T378 PolarHBondContact O-N 3.13Å; V374-T378 PolarHBondContact O-OG1 3.31Å; V374-I453 HydrophobicContact CB-CD1 3.63Å; V374-I453 HydrophobicContact CG1-CD1 3.58Å; V374-I453 HydrophobicContact CG2-CD1 3.73Å
375	T	93.6	Very high	89.2	Confident	2 Å²	2	51.1 Å²	51.1	1%	0.012	27%	0.273	C	S	.	.	H	α-helix	trans	-64.2	-45.7	176	-54.2	0	0	0	0	111.3	A158 I159 T162 V371 F372 G373 T378 A379	A158-T375 HydrophobicContact CB-CG2 4.27Å; A158-T375 WeakPolarHBondContact O-CG2 3.09Å; I159-T375 HydrophobicContact CG1-CG2 4.33Å; T162-T375 WeakPolarHBondContact CG2-OG1 3.48Å; T162-T375 WeakPolarHBondContact OG1-CG2 3.44Å; V371-T375 WeakPolarHBondContact O-CB 3.4Å; V371-T375 PolarHBondContact O-N 3.02Å; V371-T375 PolarHBondContact O-OG1 2.9Å; F372-T375 PolarHBondContact O-N 2.92Å; G373-T375 VanDerWaalsContact C-N 3.34Å; G373-T375 PolarHBondContact O-N 3.28Å; T375-T378 PolarHBondContact O-N 3.37Å; T375-A379 VanDerWaalsContact O-CB 3.3Å; T375-A379 WeakPolarHBondContact O-CB 3.38Å; T375-A379 PolarHBondContact O-N 3.2Å
376	L	94	Very high	89	Confident	83 Å²	83	47.2 Å²	47.2	44%	0.435	26%	0.255	S	S	.	.	H	α-helix	trans	-60	-49	177.5	177.4	69	0	0	0	110.9	V155 I159 F372 G373 T378 A379 F380	V155-L376 HydrophobicContact CG1-CD1 3.91Å; I159-L376 HydrophobicContact CD1-CB 4.27Å; I159-L376 HydrophobicContact CD1-CD1 3.65Å; F372-L376 VanDerWaalsContact O-CB 3.3Å; F372-L376 WeakPolarHBondContact O-CB 3.42Å; F372-L376 PolarHBondContact O-N 2.87Å; G373-L376 PolarHBondContact O-N 3.25Å; L376-T378 PolarHBondContact O-N 3.3Å; L376-A379 PolarHBondContact O-N 3.02Å; L376-F380 WeakPolarHBondContact O-CB 3.41Å; L376-F380 PolarHBondContact O-N 2.78Å
377	I	93.3	Very high	88.6	Confident	99 Å²	99	40.2 Å²	40.2	51%	0.508	23%	0.228	S	C	.	.	H	α-helix	trans	-62.3	-44.6	178.6	-67.3	165.8	0	0	0	110.7	G373 F380 L381	G373-I377 VanDerWaalsContact O-CG1 3.26Å; G373-I377 WeakPolarHBondContact O-CG1 3.01Å; G373-I377 PolarHBondContact O-N 3.37Å; I377-F380 PolarHBondContact O-N 3Å; I377-L381 HydrophobicContact CG2-CD1 3.66Å; I377-L381 HydrophobicContact CG2-CG 4.32Å; I377-L381 WeakPolarHBondContact O-CB 3.29Å; I377-L381 VanDerWaalsContact O-CG 3.27Å; I377-L381 WeakPolarHBondContact O-CG 3.21Å; I377-L381 PolarHBondContact O-N 2.91Å
378	T	92.6	Very high	88.3	Confident	5 Å²	5	40 Å²	40	3%	0.031	23%	0.226	C	C	.	.	H	α-helix	trans	-62.8	-49.3	179.1	-55.1	0	0	0	0	110.6	V374 T375 L376 F380 L381 S382 I446	V374-T378 VanDerWaalsContact O-CB 3.27Å; V374-T378 WeakPolarHBondContact O-CB 3.02Å; V374-T378 PolarHBondContact O-N 3.13Å; V374-T378 PolarHBondContact O-OG1 3.31Å; T375-T378 PolarHBondContact O-N 3.37Å; L376-T378 PolarHBondContact O-N 3.3Å; T378-F380 VanDerWaalsContact C-N 3.35Å; T378-F380 PolarHBondContact O-N 2.04Å; T378-L381 PolarHBondContact O-N 3.4Å; T378-S382 WeakPolarHBondContact O-CB 3.23Å; T378-S382 PolarHBondContact O-N 3.48Å; T378-S382 PolarHBondContact O-OG 2.62Å; T378-S382 VanDerWaalsContact O-OG 3.1Å; T378-I446 HydrophobicContact CG2-CD1 3.96Å; T378-I446 HydrophobicContact CG2-CG2 4.08Å
379	A	91.4	Very high	88	Confident	4 Å²	4	41 Å²	41	3%	0.033	23%	0.226	C	C	.	.	H	α-helix	trans	-63.5	-41.5	-179.6	0	0	0	0	0	111.9	Y154 V155 A158 T375 L376 F383	Y154-A379 HydrophobicContact CD1-CB 4.33Å; Y154-A379 HydrophobicContact CE1-CB 4.08Å; V155-A379 HydrophobicContact CG2-CB 4.04Å; A158-A379 HydrophobicContact CB-CB 3.98Å; T375-A379 VanDerWaalsContact O-CB 3.3Å; T375-A379 WeakPolarHBondContact O-CB 3.38Å; T375-A379 PolarHBondContact O-N 3.2Å; L376-A379 PolarHBondContact O-N 3.02Å; A379-F383 PolarHBondContact O-N 3.34Å
380	F	90.8	Very high	87.4	Confident	119 Å²	119	40 Å²	40	52%	0.522	21%	0.21	S	C	.	.	H	α-helix	trans	-63.9	-45	179.8	-172.1	-86.3	0	0	0	112.1	Y151 L376 I377 T378 P384	Y151-F380 AromaticContact CE1-CD2 3.88Å; Y151-F380 HydrophobicContact CE1-CD2 3.88Å; Y151-F380 HydrophobicContact CE1-CE2 4.03Å; Y151-F380 AromaticContact CZ-CD2 3.76Å; Y151-F380 AromaticContact CZ-CE2 3.97Å; Y151-F380 WeakPolarHBondContact OH-CA 3.41Å; Y151-F380 WeakPolarHBondContact OH-CD2 3.49Å; Y151-F380 WeakPolarHBondContact OH-CE2 3.36Å; Y151-F380 WeakPolarHBondContact OH-CG 2.97Å; Y151-F380 PolarHBondContact OH-O 3.49Å; L376-F380 WeakPolarHBondContact O-CB 3.41Å; L376-F380 PolarHBondContact O-N 2.78Å; I377-F380 PolarHBondContact O-N 3Å; T378-F380 VanDerWaalsContact C-N 3.35Å; T378-F380 PolarHBondContact O-N 2.04Å; F380-P384 WeakPolarHBondContact O-CD 3.38Å
381	L	89.5	Confident	86.8	Confident	88 Å²	88	40.5 Å²	40.5	46%	0.461	22%	0.217	S	C	.	.	H	α-helix	trans	-81.9	-25.6	-178.7	-62.9	175.9	0	0	0	113.7	I377 T378 P384 F442	I377-L381 HydrophobicContact CG2-CD1 3.66Å; I377-L381 HydrophobicContact CG2-CG 4.32Å; I377-L381 WeakPolarHBondContact O-CB 3.29Å; I377-L381 VanDerWaalsContact O-CG 3.27Å; I377-L381 WeakPolarHBondContact O-CG 3.21Å; I377-L381 PolarHBondContact O-N 2.91Å; T378-L381 PolarHBondContact O-N 3.4Å; L381-P384 WeakPolarHBondContact O-CD 3.18Å; L381-F442 HydrophobicContact CB-CE2 3.43Å; L381-F442 VanDerWaalsContact CB-CE2 3.43Å; L381-F442 HydrophobicContact CB-CZ 3.72Å; L381-F442 HydrophobicContact CD1-CE2 3.96Å; L381-F442 HydrophobicContact CG-CE2 4.34Å
382	S	87	Confident	86.2	Confident	3 Å²	3	40.9 Å²	40.9	2%	0.021	22%	0.219	C	C	.	.	H	α-helix	trans	-78	-30.1	-178.5	-82.7	0	0	0	0	113.5	T378 T388 R389 F442	T378-S382 WeakPolarHBondContact O-CB 3.23Å; T378-S382 PolarHBondContact O-N 3.48Å; T378-S382 PolarHBondContact O-OG 2.62Å; T378-S382 VanDerWaalsContact O-OG 3.1Å; S382-T388 WeakPolarHBondContact CA-OG1 3.44Å; S382-T388 WeakPolarHBondContact CB-O 3.29Å; S382-T388 CarbonylContact O-C 3.6Å; S382-T388 PolarHBondContact O-OG1 3.31Å; S382-T388 PolarHBondContact OG-O 2.83Å; S382-R389 PolarHBondContact O-N 2.92Å; S382-R389 VanDerWaalsContact O-N 3.16Å; S382-F442 WeakPolarHBondContact OG-CE1 3.45Å
383	F	84.4	Confident	85.6	Confident	4 Å²	4	38.6 Å²	38.6	2%	0.018	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-40.3	-173.4	-171.3	-83.7	0	0	0	114.8	F147 E150 Y151 Y154 A379 S385	F147-F383 AromaticContact CD2-CE1 3.98Å; F147-F383 HydrophobicContact CD2-CE1 3.98Å; F147-F383 HydrophobicContact CE1-CD1 4.47Å; F147-F383 HydrophobicContact CE1-CE1 4.07Å; F147-F383 HydrophobicContact CE2-CD1 4.12Å; F147-F383 AromaticContact CE2-CE1 3.46Å; F147-F383 HydrophobicContact CE2-CE1 3.46Å; F147-F383 VanDerWaalsContact CE2-CE1 3.46Å; F147-F383 HydrophobicContact CE2-CZ 4.46Å; F147-F383 AromaticContact CZ-CD1 3.82Å; F147-F383 HydrophobicContact CZ-CD1 3.82Å; F147-F383 AromaticContact CZ-CE1 3.51Å; F147-F383 HydrophobicContact CZ-CE1 3.51Å; E150-F383 HydrophobicContact CB-CE2 4.43Å; E150-F383 HydrophobicContact CB-CZ 3.91Å; E150-F383 HydrophobicContact CG-CE2 3.94Å; E150-F383 HydrophobicContact CG-CZ 3.75Å; Y151-F383 HydrophobicContact CD2-CB 3.82Å; Y151-F383 AromaticContact CD2-CD1 3.16Å; Y151-F383 HydrophobicContact CD2-CD1 3.16Å; Y151-F383 HydrophobicContact CD2-CD2 4.28Å; Y151-F383 AromaticContact CD2-CE1 3.63Å; Y151-F383 HydrophobicContact CD2-CE1 3.63Å; Y151-F383 AromaticContact CD2-CG 3.49Å; Y151-F383 HydrophobicContact CD2-CG 3.49Å; Y151-F383 VanDerWaalsContact CD2-CG 3.49Å; Y151-F383 HydrophobicContact CD2-CZ 4.38Å; Y151-F383 HydrophobicContact CE2-CB 3.59Å; Y151-F383 AromaticContact CE2-CD1 3.72Å; Y151-F383 HydrophobicContact CE2-CD1 3.72Å; Y151-F383 AromaticContact CE2-CG 3.83Å; Y151-F383 HydrophobicContact CE2-CG 3.83Å; Y151-F383 HydrophobicContact CG-CD1 4.2Å; Y151-F383 HydrophobicContact CG-CE1 4.33Å; Y151-F383 HydrophobicContact CG-CG 4.42Å; Y154-F383 HydrophobicContact CD1-CB 4.41Å; Y154-F383 AromaticContact CD1-CD2 3.81Å; Y154-F383 HydrophobicContact CD1-CD2 3.81Å; Y154-F383 HydrophobicContact CD2-CD2 4.11Å; Y154-F383 HydrophobicContact CD2-CE2 4.44Å; Y154-F383 HydrophobicContact CE1-CD2 4.49Å; Y154-F383 AromaticContact CG-CD2 3.61Å; Y154-F383 HydrophobicContact CG-CD2 3.61Å; Y154-F383 HydrophobicContact CG-CE2 4.09Å; A379-F383 PolarHBondContact O-N 3.34Å; F383-S385 PolarHBondContact O-N 2.77Å; F383-S385 VanDerWaalsContact O-N 3.17Å
384	P	80.8	Confident	84.9	Confident	93 Å²	93	39.9 Å²	39.9	60%	0.604	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-20.9	-176.5	-24.9	35.3	0	0	0	115.5	F380 L381	F380-P384 WeakPolarHBondContact O-CD 3.38Å; L381-P384 WeakPolarHBondContact O-CD 3.18Å
385	S	78.8	Confident	84.4	Confident	33 Å²	33	38.8 Å²	38.8	23%	0.231	21%	0.206	C	C	.	.	S	Bend	trans	-116.2	123.9	178.1	166.6	0	0	0	0	110.1	F383 Y387 T388 R389	F383-S385 PolarHBondContact O-N 2.77Å; F383-S385 VanDerWaalsContact O-N 3.17Å; S385-Y387 PolarHBondContact O-N 2.97Å; S385-T388 WeakPolarHBondContact CB-OG1 3.28Å; S385-T388 PolarHBondContact O-N 3.21Å; S385-T388 PolarHBondContact O-OG1 3.01Å; S385-R389 PolarHBondContact O-N 3.14Å
386	E	77.5	Confident	83.9	Confident	55 Å²	55	38.8 Å²	38.8	26%	0.257	21%	0.206	S	C	.	.	H	α-helix	trans	-56.8	-39.4	-176.8	-164.8	-166.5	140	0	0	112	T388 R389 K390	E386-T388 VanDerWaalsContact C-N 3.34Å; E386-T388 PolarHBondContact O-N 3.29Å; E386-R389 PolarHBondContact O-N 3.47Å; E386-K390 WeakPolarHBondContact O-CG 3.3Å; E386-K390 PolarHBondContact O-N 3.23Å; E386-K390 VanDerWaalsContact O-N 3.09Å; E386-K390 VanDerWaalsContact OE1-CE 3.28Å; E386-K390 WeakPolarHBondContact OE1-CE 3.41Å; E386-K390 IonicContact OE1-NZ 2.9Å; E386-K390 PolarHBondContact OE1-NZ 3.41Å
387	Y	77.1	Confident	83.2	Confident	6 Å²	6	38.3 Å²	38.3	2%	0.024	20%	0.201	C	C	.	.	H	α-helix	trans	-67.9	-31.1	177.8	-64.5	-71	0	0	0	113.5	S385 L395 E410 L411 K435 V439	S385-Y387 PolarHBondContact O-N 2.97Å; Y387-L395 HydrophobicContact CD1-CD1 3.89Å; Y387-E410 WeakPolarHBondContact OH-CB 3.22Å; Y387-L411 HydrophobicContact CE1-CB 4.4Å; Y387-L411 VanDerWaalsContact OH-CA 3.28Å; Y387-L411 WeakPolarHBondContact OH-CA 3.22Å; Y387-L411 PolarHBondContact OH-N 2.69Å; Y387-K435 HydrophobicContact CD2-CB 4.47Å; Y387-K435 HydrophobicContact CE2-CB 4.33Å; Y387-K435 HydrophobicContact CE2-CD 4.05Å; Y387-V439 HydrophobicContact CD2-CG2 4.42Å; Y387-V439 HydrophobicContact CG-CG2 4.3Å
388	T	80.7	Confident	82.5	Confident	7 Å²	7	35.4 Å²	35.4	4%	0.043	19%	0.186	C	C	.	.	H	α-helix	trans	-82.5	-24.8	176.5	52.4	0	0	0	0	112.3	S382 S385 E386 V439 F442	S382-T388 WeakPolarHBondContact CA-OG1 3.44Å; S382-T388 WeakPolarHBondContact CB-O 3.29Å; S382-T388 CarbonylContact O-C 3.6Å; S382-T388 PolarHBondContact O-OG1 3.31Å; S382-T388 PolarHBondContact OG-O 2.83Å; S385-T388 WeakPolarHBondContact CB-OG1 3.28Å; S385-T388 PolarHBondContact O-N 3.21Å; S385-T388 PolarHBondContact O-OG1 3.01Å; E386-T388 VanDerWaalsContact C-N 3.34Å; E386-T388 PolarHBondContact O-N 3.29Å; T388-V439 HydrophobicContact CG2-CB 4.46Å; T388-V439 HydrophobicContact CG2-CG1 4.28Å; T388-V439 HydrophobicContact CG2-CG2 3.98Å; T388-F442 HydrophobicContact CG2-CD1 3.41Å; T388-F442 VanDerWaalsContact CG2-CD1 3.41Å; T388-F442 HydrophobicContact CG2-CE1 3.67Å; T388-F442 HydrophobicContact CG2-CG 4.15Å
389	R	83.5	Confident	82.1	Confident	55 Å²	55	35.2 Å²	35.2	21%	0.208	18%	0.184	C	C	.	.	H	α-helix	trans	-73.1	-39.4	175.9	-172.2	171.1	72.8	172.4	6.3	112.3	E150 Y154 S382 S385 E386	E150-R389 IonicContact OE1-CZ 3.17Å; E150-R389 IonicContact OE1-NH1 3.89Å; E150-R389 PolarHBondContact OE1-NH1 3.49Å; Y154-R389 HydrophobicContact CE2-CG 3.88Å; S382-R389 PolarHBondContact O-N 2.92Å; S382-R389 VanDerWaalsContact O-N 3.16Å; S385-R389 PolarHBondContact O-N 3.14Å; E386-R389 PolarHBondContact O-N 3.47Å
390	K	78	Confident	81.6	Confident	37 Å²	37	35.2 Å²	35.2	16%	0.161	18%	0.184	C	C	.	.	S	Bend	trans	-61.8	147.2	178.7	-75	175	176.8	168.5	0	112.1	E386	E386-K390 WeakPolarHBondContact O-CG 3.3Å; E386-K390 PolarHBondContact O-N 3.23Å; E386-K390 VanDerWaalsContact O-N 3.09Å; E386-K390 VanDerWaalsContact OE1-CE 3.28Å; E386-K390 WeakPolarHBondContact OE1-CE 3.41Å; E386-K390 IonicContact OE1-NZ 2.9Å; E386-K390 PolarHBondContact OE1-NZ 3.41Å
391	S	78.3	Confident	80.9	Confident	31 Å²	31	31.3 Å²	31.3	22%	0.217	17%	0.168	C	C	.	.			trans	-61.1	150	174.4	85.8	0	0	0	0	109.8	S393 D394 L395	S391-S393 PolarHBondContact O-N 3.27Å; S391-D394 WeakPolarHBondContact CB-OD2 2.93Å; S391-D394 PolarHBondContact O-N 3.18Å; S391-D394 PolarHBondContact OG-N 3.13Å; S391-D394 PolarHBondContact OG-OD2 3.07Å; S391-L395 WeakPolarHBondContact O-CB 3.09Å; S391-L395 PolarHBondContact O-N 2.75Å
392	S	80.9	Confident	80.2	Confident	8 Å²	8	31.6 Å²	31.6	6%	0.056	16%	0.163	C	C	.	.	H	α-helix	trans	-61.5	-30.5	-178.7	-63.6	0	0	0	0	112.2	I396 K443	S392-I396 WeakPolarHBondContact O-CD1 2.7Å; S392-I396 WeakPolarHBondContact O-CG1 3.35Å; S392-I396 PolarHBondContact O-N 3.09Å; S392-I396 VanDerWaalsContact O-N 3.1Å; S392-K443 PolarHBondContact OG-NZ 3.07Å
393	S	79.2	Confident	79.6	Confident	26 Å²	26	32 Å²	32	18%	0.182	17%	0.166	C	C	.	.	H	α-helix	trans	-68.9	-46	175.7	-59.8	0	0	0	0	112.3	S391 L395 I396 Q397	S391-S393 PolarHBondContact O-N 3.27Å; S393-L395 VanDerWaalsContact C-N 3.3Å; S393-L395 PolarHBondContact O-N 3.18Å; S393-I396 PolarHBondContact O-N 3.38Å; S393-Q397 PolarHBondContact O-N 3.42Å; S393-Q397 VanDerWaalsContact O-N 3.12Å
394	D	78	Confident	78.6	Confident	55 Å²	55	33.3 Å²	33.3	29%	0.294	18%	0.18	S	C	.	.	H	α-helix	trans	-67.9	-34.6	178.2	-55.2	-38.3	0	0	0	111.4	S391 Q397 Q398	S391-D394 WeakPolarHBondContact CB-OD2 2.93Å; S391-D394 PolarHBondContact O-N 3.18Å; S391-D394 PolarHBondContact OG-N 3.13Å; S391-D394 PolarHBondContact OG-OD2 3.07Å; D394-Q397 PolarHBondContact O-N 3.06Å; D394-Q398 PolarHBondContact O-N 2.65Å
395	L	83.3	Confident	77.4	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-62.2	-43.7	174.6	-179.8	62.4	0	0	0	111.2	Y387 S391 S393 Q398 L399 V439 I469	Y387-L395 HydrophobicContact CD1-CD1 3.89Å; S391-L395 WeakPolarHBondContact O-CB 3.09Å; S391-L395 PolarHBondContact O-N 2.75Å; S393-L395 VanDerWaalsContact C-N 3.3Å; S393-L395 PolarHBondContact O-N 3.18Å; L395-Q398 PolarHBondContact O-N 3.06Å; L395-L399 HydrophobicContact CD1-CD1 4.25Å; L395-L399 HydrophobicContact CD1-CG 4.48Å; L395-L399 HydrophobicContact CG-CD1 3.91Å; L395-L399 WeakPolarHBondContact O-CD1 3.26Å; L395-L399 WeakPolarHBondContact O-CG 3.17Å; L395-L399 PolarHBondContact O-N 3.04Å; L395-V439 HydrophobicContact CD2-CG1 4.41Å; L395-I469 HydrophobicContact CD2-CD1 4.14Å
396	I	83	Confident	76.3	Confident	2 Å²	2	40.9 Å²	40.9	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-60.9	-46.8	176.3	-71.7	164.6	0	0	0	110.6	F317 S392 S393 Q398 L399 F400 V461 L464 A465	F317-I396 HydrophobicContact CD1-CB 4.1Å; F317-I396 HydrophobicContact CD1-CG2 3.41Å; F317-I396 VanDerWaalsContact CD1-CG2 3.41Å; F317-I396 HydrophobicContact CE1-CB 3.74Å; F317-I396 HydrophobicContact CE1-CD1 4.15Å; F317-I396 HydrophobicContact CE1-CG2 3.49Å; F317-I396 VanDerWaalsContact CE1-CG2 3.49Å; F317-I396 HydrophobicContact CG-CG2 4.3Å; F317-I396 HydrophobicContact CZ-CD1 4.31Å; F317-I396 HydrophobicContact CZ-CG2 4.41Å; S392-I396 WeakPolarHBondContact O-CD1 2.7Å; S392-I396 WeakPolarHBondContact O-CG1 3.35Å; S392-I396 PolarHBondContact O-N 3.09Å; S392-I396 VanDerWaalsContact O-N 3.1Å; S393-I396 PolarHBondContact O-N 3.38Å; I396-Q398 VanDerWaalsContact C-N 3.33Å; I396-Q398 PolarHBondContact O-N 3.41Å; I396-L399 PolarHBondContact O-N 2.91Å; I396-L399 VanDerWaalsContact O-N 3.15Å; I396-F400 HydrophobicContact CB-CZ 4.48Å; I396-F400 HydrophobicContact CG2-CD2 4.15Å; I396-F400 HydrophobicContact CG2-CE1 4.07Å; I396-F400 HydrophobicContact CG2-CE2 3.28Å; I396-F400 HydrophobicContact CG2-CZ 3.15Å; I396-F400 PolarHBondContact O-N 2.97Å; I396-V461 HydrophobicContact CD1-CG1 3.97Å; I396-L464 HydrophobicContact CD1-CB 3.8Å; I396-A465 HydrophobicContact CD1-CB 4.02Å; I396-A465 HydrophobicContact CG1-CB 3.85Å
397	Q	78.9	Confident	75.6	Confident	74 Å²	74	40.6 Å²	40.6	35%	0.346	22%	0.215	S	C	.	.	H	α-helix	trans	-55.7	-48.1	177.3	-172.5	-175.9	7.1	0	0	111.2	S393 D394 L399 F400 N401	S393-Q397 PolarHBondContact O-N 3.42Å; S393-Q397 VanDerWaalsContact O-N 3.12Å; D394-Q397 PolarHBondContact O-N 3.06Å; Q397-L399 VanDerWaalsContact C-N 3.33Å; Q397-L399 PolarHBondContact O-N 3.15Å; Q397-F400 PolarHBondContact O-N 2.81Å; Q397-F400 VanDerWaalsContact O-N 3.16Å; Q397-N401 PolarHBondContact O-N 2.94Å; Q397-N401 PolarHBondContact O-OD1 2.79Å; Q397-N401 VanDerWaalsContact O-OD1 3.07Å
398	Q	80	Confident	74.7	Confident	38 Å²	38	44.1 Å²	44.1	18%	0.178	24%	0.237	C	C	.	.	H	α-helix	trans	-64.1	-34.9	178.4	-73.3	175.3	14.1	0	0	113.3	D394 L395 I396 F400 N401 L411	D394-Q398 PolarHBondContact O-N 2.65Å; L395-Q398 PolarHBondContact O-N 3.06Å; I396-Q398 VanDerWaalsContact C-N 3.33Å; I396-Q398 PolarHBondContact O-N 3.41Å; Q398-F400 PolarHBondContact O-N 3.27Å; Q398-N401 WeakPolarHBondContact O-CB 3.35Å; Q398-N401 PolarHBondContact O-N 3.45Å; Q398-L411 WeakPolarHBondContact O-CD2 3.39Å
399	L	83.3	Confident	74.1	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-67.5	-26.2	177.3	-72.1	161.3	0	0	0	112.6	L395 I396 Q397 L411 L436 A468 I469 R472	L395-L399 HydrophobicContact CD1-CD1 4.25Å; L395-L399 HydrophobicContact CD1-CG 4.48Å; L395-L399 HydrophobicContact CG-CD1 3.91Å; L395-L399 WeakPolarHBondContact O-CD1 3.26Å; L395-L399 WeakPolarHBondContact O-CG 3.17Å; L395-L399 PolarHBondContact O-N 3.04Å; I396-L399 PolarHBondContact O-N 2.91Å; I396-L399 VanDerWaalsContact O-N 3.15Å; Q397-L399 VanDerWaalsContact C-N 3.33Å; Q397-L399 PolarHBondContact O-N 3.15Å; L399-L411 HydrophobicContact CD2-CD2 4.46Å; L399-L436 HydrophobicContact CD2-CD2 4.04Å; L399-A468 HydrophobicContact CB-CB 4.25Å; L399-A468 HydrophobicContact CD1-CB 3.79Å; L399-I469 HydrophobicContact CD1-CB 4.44Å; L399-I469 HydrophobicContact CD1-CG1 3.58Å; L399-I469 HydrophobicContact CD2-CG1 4.4Å; L399-R472 HydrophobicContact CD2-CB 3.83Å; L399-R472 HydrophobicContact CD2-CG 3.98Å; L399-R472 WeakPolarHBondContact O-CD 3.44Å; L399-R472 PolarHBondContact O-NH1 2.86Å
400	F	80.9	Confident	73.2	Confident	3 Å²	3	46.2 Å²	46.2	1%	0.013	25%	0.252	C	S	.	.	H	α-helix	trans	-87.1	-6.9	174.9	-59.6	-13.6	0	0	0	113.7	F317 V319 Y321 I396 Q397 Q398 R402 A468 A508 M509 I512	F317-F400 HydrophobicContact CB-CD2 4.35Å; F317-F400 HydrophobicContact CB-CE2 4.04Å; F317-F400 HydrophobicContact CD1-CE2 4.37Å; F317-F400 HydrophobicContact CG-CE2 4.44Å; V319-F400 HydrophobicContact CB-CB 4.48Å; V319-F400 HydrophobicContact CG2-CB 3.78Å; Y321-F400 PolarHBondContact OH-O 2.88Å; I396-F400 HydrophobicContact CB-CZ 4.48Å; I396-F400 HydrophobicContact CG2-CD2 4.15Å; I396-F400 HydrophobicContact CG2-CE1 4.07Å; I396-F400 HydrophobicContact CG2-CE2 3.28Å; I396-F400 HydrophobicContact CG2-CZ 3.15Å; I396-F400 PolarHBondContact O-N 2.97Å; Q397-F400 PolarHBondContact O-N 2.81Å; Q397-F400 VanDerWaalsContact O-N 3.16Å; Q398-F400 PolarHBondContact O-N 3.27Å; F400-R402 PolarHBondContact O-N 2.94Å; F400-A468 HydrophobicContact CE1-CB 3.79Å; F400-A468 HydrophobicContact CZ-CB 4.29Å; F400-A508 HydrophobicContact CD1-CB 3.88Å; F400-A508 HydrophobicContact CE1-CB 4.1Å; F400-M509 HydrophobicContact CB-CE 3.97Å; F400-M509 HydrophobicContact CD1-CG 3.73Å; F400-M509 HydrophobicContact CD2-CE 3.71Å; F400-M509 HydrophobicContact CD2-CG 4.23Å; F400-M509 HydrophobicContact CE1-CG 4.05Å; F400-M509 HydrophobicContact CE2-CE 4.48Å; F400-M509 HydrophobicContact CE2-CG 4.49Å; F400-M509 HydrophobicContact CG-CE 3.83Å; F400-M509 HydrophobicContact CG-CG 3.91Å; F400-M509 HydrophobicContact CZ-CG 4.48Å; F400-I512 HydrophobicContact CE1-CD1 3.5Å; F400-I512 HydrophobicContact CE1-CG1 3.74Å; F400-I512 HydrophobicContact CE2-CD1 3.65Å; F400-I512 HydrophobicContact CZ-CD1 2.95Å; F400-I512 HydrophobicContact CZ-CG1 3.47Å; F400-I512 VanDerWaalsContact CZ-CG1 3.47Å
401	N	77.1	Confident	72.9	Confident	37 Å²	37	44.5 Å²	44.5	20%	0.198	25%	0.245	C	C	.	.			trans	-62.9	139.7	178	-74.3	2.8	0	0	0	110.8	Q397 Q398 C403 R472	Q397-N401 PolarHBondContact O-N 2.94Å; Q397-N401 PolarHBondContact O-OD1 2.79Å; Q397-N401 VanDerWaalsContact O-OD1 3.07Å; Q398-N401 WeakPolarHBondContact O-CB 3.35Å; Q398-N401 PolarHBondContact O-N 3.45Å; N401-C403 PolarHBondContact O-N 2.8Å; N401-R472 PolarHBondContact O-NH1 3.42Å; N401-R472 PolarHBondContact O-NH2 2.98Å
402	R	73.6	Confident	72.6	Confident	94 Å²	94	43.2 Å²	43.2	36%	0.355	24%	0.235	S	C	.	.			trans	-70	-12.6	176.7	-56.5	-173.2	-163.6	158.2	9.9	112.6	V319 D320 Y321 P322 F400 K415	V319-R402 HydrophobicContact CG1-CG 4.39Å; D320-R402 PolarHBondContact O-NE 2.94Å; D320-R402 PolarHBondContact O-NH2 3.37Å; Y321-R402 HydrophobicContact CD1-CG 4.1Å; Y321-R402 HydrophobicContact CE1-CG 3.8Å; P322-R402 VanDerWaalsContact CD-NH1 3.34Å; F400-R402 PolarHBondContact O-N 2.94Å; R402-K415 PolarHBondContact O-NZ 3.29Å
403	C	74.2	Confident	72.1	Confident	12 Å²	12	44.3 Å²	44.3	8%	0.081	24%	0.243	C	C	.	.			trans	58.6	61.6	-168.9	-67.2	0	0	0	0	111.1	N401 D407 C412 K415 R472	N401-C403 PolarHBondContact O-N 2.8Å; C403-D407 WeakPolarHBondContact CA-OD2 3.1Å; C403-D407 PolarHBondContact N-OD2 3.47Å; C403-C412 WeakPolarHBondContact CA-SG 3.24Å; C403-C412 HydrophobicContact CB-CB 3.43Å; C403-C412 VanDerWaalsContact CB-CB 3.43Å; C403-C412 WeakPolarHBondContact CB-SG 3.24Å; C403-C412 WeakPolarHBondContact SG-CA 3.41Å; C403-C412 WeakPolarHBondContact SG-CB 3.29Å; C403-C412 CovalentContact SG-SG 2.03Å; C403-C412 PolarHBondContact SG-SG 2.72Å; C403-K415 HydrophobicContact CB-CD 3.82Å; C403-R472 PolarHBondContact SG-NH2 2.96Å
404	G	64.3	Low	71.6	Confident	31 Å²	31	43.9 Å²	43.9	32%	0.32	24%	0.238	S	C	.	.			trans	-70.2	172.2	171.7	0	0	0	0	0	112.2	E406 D407	G404-E406 PolarHBondContact O-N 3.31Å; G404-E406 VanDerWaalsContact O-N 3.13Å; G404-D407 PolarHBondContact N-OD2 3.46Å; G404-D407 WeakPolarHBondContact O-CB 3.34Å; G404-D407 PolarHBondContact O-N 3.07Å
405	P	55.7	Low	71.1	Confident	123 Å²	123	42.9 Å²	42.9	80%	0.799	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-23.9	179.2	24.1	-33.3	0	0	0	113.2
406	E	56	Low	70.2	Confident	163 Å²	163	47.5 Å²	47.5	76%	0.762	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-12.7	178.3	-59.8	-177.9	178.3	0	0	113.4	G404 V408	G404-E406 PolarHBondContact O-N 3.31Å; G404-E406 VanDerWaalsContact O-N 3.13Å; E406-V408 PolarHBondContact O-N 3.35Å; E406-V408 VanDerWaalsContact O-N 3.15Å
407	D	61.5	Low	69	Low	48 Å²	48	50.2 Å²	50.2	26%	0.257	26%	0.262	S	S	.	.			trans	-79.9	102.2	-175.8	-75.7	-41.5	0	0	0	111	C403 G404 S409 C412 R416	C403-D407 WeakPolarHBondContact CA-OD2 3.1Å; C403-D407 PolarHBondContact N-OD2 3.47Å; G404-D407 PolarHBondContact N-OD2 3.46Å; G404-D407 WeakPolarHBondContact O-CB 3.34Å; G404-D407 PolarHBondContact O-N 3.07Å; D407-S409 PolarHBondContact O-N 3.26Å; D407-C412 HydrophobicContact CB-CB 4.27Å; D407-R416 PolarHBondContact O-NH2 3.4Å
408	V	59.5	Low	68.2	Low	80 Å²	80	49 Å²	49	49%	0.485	27%	0.265	S	S	.	.			trans	-77.7	-8.3	-177.4	-135.1	0	0	0	0	113.8	S123 E406 R416	S123-V408 WeakPolarHBondContact O-CG2 3.35Å; E406-V408 PolarHBondContact O-N 3.35Å; E406-V408 VanDerWaalsContact O-N 3.15Å; V408-R416 PolarHBondContact O-NH2 3.09Å
409	S	66.4	Low	67.2	Low	30 Å²	30	55 Å²	55	21%	0.21	29%	0.293	C	S	.	.	S	Bend	trans	-58.1	147	-171.9	72.6	0	0	0	0	113.9	D407 L411 C412 S413	D407-S409 PolarHBondContact O-N 3.26Å; S409-L411 PolarHBondContact O-N 3.44Å; S409-L411 VanDerWaalsContact O-N 3.12Å; S409-C412 PolarHBondContact O-N 3.37Å; S409-C412 PolarHBondContact OG-SG 2.82Å; S409-S413 PolarHBondContact O-N 2.85Å
410	E	65.6	Low	66	Low	77 Å²	77	59.6 Å²	59.6	36%	0.36	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-54.1	-32.2	175.5	-72.7	-160.9	145.1	0	0	112.2	Y387 C412 S413 K435	Y387-E410 WeakPolarHBondContact OH-CB 3.22Å; E410-C412 PolarHBondContact O-N 3.45Å; E410-S413 WeakPolarHBondContact O-CB 3.45Å; E410-S413 PolarHBondContact O-N 3.38Å; E410-S413 PolarHBondContact O-OG 2.92Å; E410-K435 VanDerWaalsContact CD-NZ 3.27Å; E410-K435 IonicContact OE1-NZ 3.48Å; E410-K435 PolarHBondContact OE1-NZ 2.73Å; E410-K435 IonicContact OE2-NZ 2.67Å; E410-K435 PolarHBondContact OE2-NZ 2.83Å
411	L	72	Confident	64.6	Low	1 Å²	1	61.4 Å²	61.4	1%	0.005	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-61.3	-32.3	179.5	-174	66.4	0	0	0	111.3	Y387 Q398 L399 S409 Y414 L436	Y387-L411 HydrophobicContact CE1-CB 4.4Å; Y387-L411 VanDerWaalsContact OH-CA 3.28Å; Y387-L411 WeakPolarHBondContact OH-CA 3.22Å; Y387-L411 PolarHBondContact OH-N 2.69Å; Q398-L411 WeakPolarHBondContact O-CD2 3.39Å; L399-L411 HydrophobicContact CD2-CD2 4.46Å; S409-L411 PolarHBondContact O-N 3.44Å; S409-L411 VanDerWaalsContact O-N 3.12Å; L411-Y414 WeakPolarHBondContact O-CD1 3.4Å; L411-Y414 WeakPolarHBondContact O-CE1 3.27Å; L411-L436 HydrophobicContact CD1-CD1 4.03Å; L411-L436 HydrophobicContact CD1-CD2 4.15Å; L411-L436 HydrophobicContact CD1-CG 4.38Å
412	C	72	Confident	63.6	Low	3 Å²	3	69.1 Å²	69.1	2%	0.02	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-97.9	-4	-176.9	-56.4	0	0	0	0	113.3	C403 D407 S409 E410 Y414 K415 R416	C403-C412 WeakPolarHBondContact CA-SG 3.24Å; C403-C412 HydrophobicContact CB-CB 3.43Å; C403-C412 VanDerWaalsContact CB-CB 3.43Å; C403-C412 WeakPolarHBondContact CB-SG 3.24Å; C403-C412 WeakPolarHBondContact SG-CA 3.41Å; C403-C412 WeakPolarHBondContact SG-CB 3.29Å; C403-C412 CovalentContact SG-SG 2.03Å; C403-C412 PolarHBondContact SG-SG 2.72Å; D407-C412 HydrophobicContact CB-CB 4.27Å; S409-C412 PolarHBondContact O-N 3.37Å; S409-C412 PolarHBondContact OG-SG 2.82Å; E410-C412 PolarHBondContact O-N 3.45Å; C412-Y414 PolarHBondContact O-N 2.6Å; C412-K415 PolarHBondContact O-N 2.71Å; C412-R416 PolarHBondContact O-N 2.78Å
413	S	69	Low	62.6	Low	32 Å²	32	70.7 Å²	70.7	22%	0.224	39%	0.389	C	S	.	.	H	α-helix	trans	-56.1	-35.7	-179.3	62.7	0	0	0	0	112.7	S409 E410 K415 R416 N417	S409-S413 PolarHBondContact O-N 2.85Å; E410-S413 WeakPolarHBondContact O-CB 3.45Å; E410-S413 PolarHBondContact O-N 3.38Å; E410-S413 PolarHBondContact O-OG 2.92Å; S413-K415 VanDerWaalsContact C-N 3.33Å; S413-K415 PolarHBondContact O-N 2.9Å; S413-R416 PolarHBondContact O-N 2.84Å; S413-N417 WeakPolarHBondContact O-CB 3.45Å; S413-N417 PolarHBondContact O-N 3.3Å; S413-N417 PolarHBondContact O-OD1 3.43Å
414	Y	70.2	Confident	61.7	Low	16 Å²	16	72.2 Å²	72.2	6%	0.063	40%	0.398	C	S	.	.	H	α-helix	trans	-66.1	-30.7	178.5	78.9	-91.9	0	0	0	113.5	L411 C412 A418 L429 I476 E479	L411-Y414 WeakPolarHBondContact O-CD1 3.4Å; L411-Y414 WeakPolarHBondContact O-CE1 3.27Å; C412-Y414 PolarHBondContact O-N 2.6Å; Y414-A418 VanDerWaalsContact O-CB 3.25Å; Y414-A418 WeakPolarHBondContact O-CB 3.37Å; Y414-A418 PolarHBondContact O-N 3.16Å; Y414-L429 HydrophobicContact CD2-CD1 3.83Å; Y414-L429 HydrophobicContact CE2-CD1 4.18Å; Y414-L429 HydrophobicContact CG-CD1 4.04Å; Y414-I476 HydrophobicContact CE1-CD1 4.42Å; Y414-E479 PolarHBondContact OH-OE2 3.17Å
415	K	67.5	Low	61.3	Low	35 Å²	35	76.7 Å²	76.7	15%	0.152	41%	0.409	C	S	.	.	H	α-helix	trans	-75.2	-44	175.1	-74.7	-164	-175	177.6	0	110.6	R402 C403 C412 S413 N417 A418 E419 E479 E503	R402-K415 PolarHBondContact O-NZ 3.29Å; C403-K415 HydrophobicContact CB-CD 3.82Å; C412-K415 PolarHBondContact O-N 2.71Å; S413-K415 VanDerWaalsContact C-N 3.33Å; S413-K415 PolarHBondContact O-N 2.9Å; K415-N417 PolarHBondContact O-N 3.04Å; K415-A418 WeakPolarHBondContact O-CB 3.31Å; K415-A418 PolarHBondContact O-N 3Å; K415-E419 PolarHBondContact O-N 3.17Å; K415-E479 WeakPolarHBondContact CE-OE1 3.33Å; K415-E479 IonicContact NZ-OE1 3.47Å; K415-E503 IonicContact NZ-OE1 3.92Å; K415-E503 PolarHBondContact NZ-OE1 2.99Å; K415-E503 IonicContact NZ-OE2 3.63Å
416	R	62.9	Low	61.8	Low	98 Å²	98	72.2 Å²	72.2	37%	0.37	38%	0.378	S	S	.	.	H	α-helix	trans	-62.6	-44.2	-179.3	-162.9	-172	-46	137.9	16.6	112.2	D407 V408 C412 S413 A418 E419	D407-R416 PolarHBondContact O-NH2 3.4Å; V408-R416 PolarHBondContact O-NH2 3.09Å; C412-R416 PolarHBondContact O-N 2.78Å; S413-R416 PolarHBondContact O-N 2.84Å; R416-A418 VanDerWaalsContact C-N 3.34Å; R416-E419 PolarHBondContact O-N 3.46Å
417	N	59.3	Low	62.6	Low	58 Å²	58	68.9 Å²	68.9	31%	0.31	37%	0.37	S	S	.	.	H	α-helix	trans	-73.6	-28.4	178.8	-62.2	-6.1	0	0	0	112.1	S413 K415 E419 S420 S421 E426	S413-N417 WeakPolarHBondContact O-CB 3.45Å; S413-N417 PolarHBondContact O-N 3.3Å; S413-N417 PolarHBondContact O-OD1 3.43Å; K415-N417 PolarHBondContact O-N 3.04Å; N417-E419 PolarHBondContact O-N 3.46Å; N417-S420 WeakPolarHBondContact CA-OG 3.34Å; N417-S420 PolarHBondContact O-N 3.31Å; N417-S420 PolarHBondContact O-OG 2.84Å; N417-S421 WeakPolarHBondContact O-CB 3.26Å; N417-S421 PolarHBondContact O-N 3.42Å; N417-S421 VanDerWaalsContact O-N 3.15Å; N417-S421 PolarHBondContact O-OG 2.92Å; N417-E426 WeakPolarHBondContact CB-OE1 3.25Å; N417-E426 WeakPolarHBondContact CB-OE2 3.47Å; N417-E426 PolarHBondContact ND2-OE2 3.31Å; N417-E426 VanDerWaalsContact ND2-OE2 3.16Å
418	A	61.2	Low	63.3	Low	48 Å²	48	67.3 Å²	67.3	40%	0.397	36%	0.364	S	S	.	.	H	α-helix	trans	-64	-23.1	173.7	0	0	0	0	0	113.1	Y414 K415 R416	Y414-A418 VanDerWaalsContact O-CB 3.25Å; Y414-A418 WeakPolarHBondContact O-CB 3.37Å; Y414-A418 PolarHBondContact O-N 3.16Å; K415-A418 WeakPolarHBondContact O-CB 3.31Å; K415-A418 PolarHBondContact O-N 3Å; R416-A418 VanDerWaalsContact C-N 3.34Å
419	E	59.5	Low	64.2	Low	166 Å²	166	64.4 Å²	64.4	78%	0.776	35%	0.345	S	S	*	.	H	α-helix	trans	-75	-25.1	172	-67.6	-178.9	171.5	0	0	112.7	K415 R416 N417	K415-E419 PolarHBondContact O-N 3.17Å; R416-E419 PolarHBondContact O-N 3.46Å; N417-E419 PolarHBondContact O-N 3.46Å
420	S	56.8	Low	65	Low	97 Å²	97	69.7 Å²	69.7	68%	0.678	36%	0.362	S	S	*	.	H	α-helix	trans	-90.2	-13.9	178.1	54.2	0	0	0	0	114.5	N417	N417-S420 WeakPolarHBondContact CA-OG 3.34Å; N417-S420 PolarHBondContact O-N 3.31Å; N417-S420 PolarHBondContact O-OG 2.84Å
421	S	53	Low	65.8	Low	41 Å²	41	70.6 Å²	70.6	29%	0.287	37%	0.369	S	S	.	.			trans	-120.6	122.9	-168	-53.6	0	0	0	0	110.7	N417 D423 E426	N417-S421 WeakPolarHBondContact O-CB 3.26Å; N417-S421 PolarHBondContact O-N 3.42Å; N417-S421 VanDerWaalsContact O-N 3.15Å; N417-S421 PolarHBondContact O-OG 2.92Å; S421-D423 PolarHBondContact O-N 2.91Å; S421-E426 VanDerWaalsContact CB-OE1 3.29Å; S421-E426 WeakPolarHBondContact CB-OE1 3.35Å; S421-E426 PolarHBondContact OG-OE1 3.06Å
422	E	55	Low	66.3	Low	199 Å²	199	70.8 Å²	70.8	93%	0.93	37%	0.371	S	S	*	.	S	Bend	trans	-63.6	-19.7	174.7	-71.6	-173.3	157.6	0	0	112.7	P424	E422-P424 WeakPolarHBondContact O-CD 3.22Å
423	D	53.9	Low	67.1	Low	127 Å²	127	73 Å²	73	68%	0.679	38%	0.381	S	S	*	.			trans	-96.3	111.4	176.4	-82.5	-35.2	0	0	0	112.2	S421 F425	S421-D423 PolarHBondContact O-N 2.91Å; D423-F425 PolarHBondContact O-N 3.47Å
424	P	53.7	Low	68	Low	44 Å²	44	79.7 Å²	79.7	29%	0.286	40%	0.402	S	S	.	.	S	Bend	trans	-71.7	4.7	-178.5	-11.1	25.3	0	0	0	114.2	E422 R480 F483	E422-P424 WeakPolarHBondContact O-CD 3.22Å; P424-R480 PolarHBondContact O-NH1 3.38Å; P424-R480 PolarHBondContact O-NH2 2.75Å; P424-F483 HydrophobicContact CB-CD1 4.32Å; P424-F483 HydrophobicContact CB-CE1 3.62Å; P424-F483 HydrophobicContact CB-CZ 4.01Å; P424-F483 HydrophobicContact CG-CE1 3.47Å; P424-F483 VanDerWaalsContact CG-CE1 3.47Å; P424-F483 HydrophobicContact CG-CZ 3.82Å
425	F	56	Low	68.8	Low	125 Å²	125	82.6 Å²	82.6	55%	0.548	42%	0.415	S	S	.	.			trans	-103.7	46.8	-173	-84.4	-82.6	0	0	0	112	D423	D423-F425 PolarHBondContact O-N 3.47Å
426	E	66.6	Low	69.8	Low	29 Å²	29	81 Å²	81	14%	0.136	41%	0.408	C	S	.	.			trans	-67	141.4	-175.3	-73.2	-146.4	161.9	0	0	113.8	N417 S421 A428 L429	N417-E426 WeakPolarHBondContact CB-OE1 3.25Å; N417-E426 WeakPolarHBondContact CB-OE2 3.47Å; N417-E426 PolarHBondContact ND2-OE2 3.31Å; N417-E426 VanDerWaalsContact ND2-OE2 3.16Å; S421-E426 VanDerWaalsContact CB-OE1 3.29Å; S421-E426 WeakPolarHBondContact CB-OE1 3.35Å; S421-E426 PolarHBondContact OG-OE1 3.06Å; E426-A428 HydrophobicContact CB-CB 4.13Å; E426-A428 PolarHBondContact O-N 3.34Å; E426-L429 PolarHBondContact O-N 2.85Å
427	P	73.7	Confident	71.1	Confident	93 Å²	93	79.6 Å²	79.6	60%	0.604	41%	0.407	S	S	*	.	H	α-helix	trans	-54.6	-24.4	169.8	23.8	-33.7	0	0	0	112.4	L429 Y430 N431	P427-L429 PolarHBondContact O-N 3.3Å; P427-Y430 PolarHBondContact O-N 3.31Å; P427-N431 WeakPolarHBondContact O-CB 3.26Å; P427-N431 PolarHBondContact O-N 3.17Å; P427-N431 PolarHBondContact O-ND2 3.44Å
428	A	75.2	Confident	72.6	Confident	15 Å²	15	80 Å²	80	12%	0.124	41%	0.412	C	S	.	.	H	α-helix	trans	-58.8	-39.2	174.7	0	0	0	0	0	113.5	E426 C432	E426-A428 HydrophobicContact CB-CB 4.13Å; E426-A428 PolarHBondContact O-N 3.34Å; A428-C432 WeakPolarHBondContact O-CB 3.3Å; A428-C432 PolarHBondContact O-N 3.18Å
429	L	79.6	Confident	74	Confident	18 Å²	18	77.8 Å²	77.8	9%	0.094	39%	0.393	C	S	.	.	H	α-helix	trans	-67.2	-48.2	179.2	178.3	65	0	0	0	111.4	Y414 E426 P427 N431 C432 I433 I476	Y414-L429 HydrophobicContact CD2-CD1 3.83Å; Y414-L429 HydrophobicContact CE2-CD1 4.18Å; Y414-L429 HydrophobicContact CG-CD1 4.04Å; E426-L429 PolarHBondContact O-N 2.85Å; P427-L429 PolarHBondContact O-N 3.3Å; L429-N431 VanDerWaalsContact C-N 3.32Å; L429-N431 PolarHBondContact O-N 2.89Å; L429-C432 WeakPolarHBondContact O-CB 3.38Å; L429-C432 PolarHBondContact O-N 3.44Å; L429-I433 HydrophobicContact CD1-CD1 4.2Å; L429-I433 HydrophobicContact CD1-CG1 4.47Å; L429-I433 HydrophobicContact CG-CD1 4.06Å; L429-I433 WeakPolarHBondContact O-CG1 3.47Å; L429-I433 PolarHBondContact O-N 2.94Å; L429-I476 HydrophobicContact CD1-CG2 3.56Å
430	Y	81.8	Confident	75.4	Confident	142 Å²	142	71.6 Å²	71.6	56%	0.557	37%	0.365	S	S	*	.	H	α-helix	trans	-63	-40.3	177.8	-73.2	-73.7	0	0	0	111.6	P427 C432 I433 W434	P427-Y430 PolarHBondContact O-N 3.31Å; Y430-C432 VanDerWaalsContact C-N 3.32Å; Y430-C432 PolarHBondContact O-N 3.4Å; Y430-I433 PolarHBondContact O-N 3.23Å; Y430-W434 VanDerWaalsContact O-CB 3.25Å; Y430-W434 WeakPolarHBondContact O-CB 3.47Å; Y430-W434 PolarHBondContact O-N 2.89Å
431	N	83	Confident	77	Confident	96 Å²	96	70.9 Å²	70.9	51%	0.513	36%	0.357	S	S	.	.	H	α-helix	trans	-61	-41.4	173.8	-74.3	-23.7	0	0	0	111.7	P427 L429 K435	P427-N431 WeakPolarHBondContact O-CB 3.26Å; P427-N431 PolarHBondContact O-N 3.17Å; P427-N431 PolarHBondContact O-ND2 3.44Å; L429-N431 VanDerWaalsContact C-N 3.32Å; L429-N431 PolarHBondContact O-N 2.89Å; N431-K435 WeakPolarHBondContact O-CB 3.45Å; N431-K435 VanDerWaalsContact O-CG 3.28Å; N431-K435 WeakPolarHBondContact O-CG 3.35Å; N431-K435 PolarHBondContact O-N 3.44Å
432	C	83.2	Confident	78.8	Confident	5 Å²	5	70.6 Å²	70.6	3%	0.034	35%	0.35	C	S	.	.	H	α-helix	trans	-63.9	-50	176.8	-175.1	0	0	0	0	112	A428 L429 Y430 W434 K435 L436	A428-C432 WeakPolarHBondContact O-CB 3.3Å; A428-C432 PolarHBondContact O-N 3.18Å; L429-C432 WeakPolarHBondContact O-CB 3.38Å; L429-C432 PolarHBondContact O-N 3.44Å; Y430-C432 VanDerWaalsContact C-N 3.32Å; Y430-C432 PolarHBondContact O-N 3.4Å; C432-W434 VanDerWaalsContact C-N 3.33Å; C432-W434 PolarHBondContact O-N 2.91Å; C432-K435 PolarHBondContact O-N 2.83Å; C432-L436 WeakPolarHBondContact O-CG 3.34Å; C432-L436 PolarHBondContact O-N 3.36Å
433	I	87.4	Confident	80.5	Confident	48 Å²	48	61.5 Å²	61.5	25%	0.246	31%	0.307	C	S	.	.	H	α-helix	trans	-58.6	-45.7	176.8	-68	169.8	0	0	0	110.6	L429 Y430 L436 I437 L473 I476	L429-I433 HydrophobicContact CD1-CD1 4.2Å; L429-I433 HydrophobicContact CD1-CG1 4.47Å; L429-I433 HydrophobicContact CG-CD1 4.06Å; L429-I433 WeakPolarHBondContact O-CG1 3.47Å; L429-I433 PolarHBondContact O-N 2.94Å; Y430-I433 PolarHBondContact O-N 3.23Å; I433-L436 PolarHBondContact O-N 2.87Å; I433-I437 HydrophobicContact CG2-CD1 3.82Å; I433-I437 HydrophobicContact CG2-CG1 4.46Å; I433-I437 WeakPolarHBondContact O-CG1 3.28Å; I433-I437 PolarHBondContact O-N 3.38Å; I433-L473 HydrophobicContact CG2-CD2 4.03Å; I433-I476 HydrophobicContact CD1-CG2 4.22Å; I433-I476 HydrophobicContact CG1-CG2 4.17Å
434	W	88.6	Confident	82.1	Confident	173 Å²	173	57.2 Å²	57.2	66%	0.655	28%	0.284	S	S	*	.	H	α-helix	trans	-61.3	-47.6	178.3	-179.7	-106.9	0	0	0	112	Y430 C432 L436 I437 V438	Y430-W434 VanDerWaalsContact O-CB 3.25Å; Y430-W434 WeakPolarHBondContact O-CB 3.47Å; Y430-W434 PolarHBondContact O-N 2.89Å; C432-W434 VanDerWaalsContact C-N 3.33Å; C432-W434 PolarHBondContact O-N 2.91Å; W434-L436 VanDerWaalsContact C-N 3.33Å; W434-L436 PolarHBondContact O-N 2.89Å; W434-I437 PolarHBondContact O-N 2.69Å; W434-V438 HydrophobicContact CD2-CG2 4.38Å; W434-V438 HydrophobicContact CZ2-CG2 4.23Å; W434-V438 WeakPolarHBondContact O-CG2 3.3Å; W434-V438 PolarHBondContact O-N 2.99Å
435	K	87.4	Confident	83.9	Confident	78 Å²	78	58.3 Å²	58.3	34%	0.339	29%	0.29	S	S	.	.	H	α-helix	trans	-56.4	-46.1	175.3	-77.5	-179.6	175.6	-176.1	0	111	Y387 E410 N431 C432 V438 V439	Y387-K435 HydrophobicContact CD2-CB 4.47Å; Y387-K435 HydrophobicContact CE2-CB 4.33Å; Y387-K435 HydrophobicContact CE2-CD 4.05Å; E410-K435 VanDerWaalsContact CD-NZ 3.27Å; E410-K435 IonicContact OE1-NZ 3.48Å; E410-K435 PolarHBondContact OE1-NZ 2.73Å; E410-K435 IonicContact OE2-NZ 2.67Å; E410-K435 PolarHBondContact OE2-NZ 2.83Å; N431-K435 WeakPolarHBondContact O-CB 3.45Å; N431-K435 VanDerWaalsContact O-CG 3.28Å; N431-K435 WeakPolarHBondContact O-CG 3.35Å; N431-K435 PolarHBondContact O-N 3.44Å; C432-K435 PolarHBondContact O-N 2.83Å; K435-V438 PolarHBondContact O-N 3.49Å; K435-V439 WeakPolarHBondContact O-CG2 3.16Å; K435-V439 PolarHBondContact O-N 2.7Å
436	L	88.3	Confident	85.6	Confident	1 Å²	1	53 Å²	53	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-64.4	-39.4	178.3	-72.3	177.4	0	0	0	113	L399 L411 C432 I433 W434 V439 L440 I469 R472 L473 I476	L399-L436 HydrophobicContact CD2-CD2 4.04Å; L411-L436 HydrophobicContact CD1-CD1 4.03Å; L411-L436 HydrophobicContact CD1-CD2 4.15Å; L411-L436 HydrophobicContact CD1-CG 4.38Å; C432-L436 WeakPolarHBondContact O-CG 3.34Å; C432-L436 PolarHBondContact O-N 3.36Å; I433-L436 PolarHBondContact O-N 2.87Å; W434-L436 VanDerWaalsContact C-N 3.33Å; W434-L436 PolarHBondContact O-N 2.89Å; L436-V439 PolarHBondContact O-N 2.82Å; L436-L440 VanDerWaalsContact O-CB 3.3Å; L436-L440 WeakPolarHBondContact O-CB 3.27Å; L436-L440 PolarHBondContact O-N 2.98Å; L436-I469 HydrophobicContact CB-CG2 4.31Å; L436-I469 HydrophobicContact CD2-CG2 4.29Å; L436-I469 WeakPolarHBondContact O-CG2 3.4Å; L436-R472 HydrophobicContact CD1-CG 4.27Å; L436-L473 HydrophobicContact CB-CD1 4.28Å; L436-L473 HydrophobicContact CB-CD2 3.57Å; L436-L473 HydrophobicContact CB-CG 3.87Å; L436-L473 HydrophobicContact CD1-CD2 4.01Å; L436-L473 HydrophobicContact CD1-CG 4.22Å; L436-L473 HydrophobicContact CG-CD2 4.47Å; L436-I476 HydrophobicContact CD1-CD1 3.89Å
437	I	90.7	Very high	86.7	Confident	69 Å²	69	51.7 Å²	51.7	35%	0.354	26%	0.261	S	S	.	.	H	α-helix	trans	-63.5	-45.5	175.7	-70.3	168.7	0	0	0	110.7	I433 W434 V439 L440 V441 L473	I433-I437 HydrophobicContact CG2-CD1 3.82Å; I433-I437 HydrophobicContact CG2-CG1 4.46Å; I433-I437 WeakPolarHBondContact O-CG1 3.28Å; I433-I437 PolarHBondContact O-N 3.38Å; W434-I437 PolarHBondContact O-N 2.69Å; I437-V439 VanDerWaalsContact C-N 3.34Å; I437-V439 PolarHBondContact O-N 3.44Å; I437-L440 WeakPolarHBondContact O-CB 3.4Å; I437-L440 PolarHBondContact O-N 3.32Å; I437-V441 WeakPolarHBondContact O-CG2 3.41Å; I437-V441 PolarHBondContact O-N 3.22Å; I437-L473 HydrophobicContact CG1-CD1 4.03Å; I437-L473 HydrophobicContact CG1-CD2 4.04Å
438	V	90.8	Very high	87.5	Confident	67 Å²	67	48.5 Å²	48.5	41%	0.406	24%	0.239	S	C	.	.	H	α-helix	trans	-60.7	-45.6	177.5	172	0	0	0	0	110.6	W434 K435 L440 V441 F442	W434-V438 HydrophobicContact CD2-CG2 4.38Å; W434-V438 HydrophobicContact CZ2-CG2 4.23Å; W434-V438 WeakPolarHBondContact O-CG2 3.3Å; W434-V438 PolarHBondContact O-N 2.99Å; K435-V438 PolarHBondContact O-N 3.49Å; V438-L440 VanDerWaalsContact C-N 3.35Å; V438-L440 PolarHBondContact O-N 2.91Å; V438-V441 PolarHBondContact O-N 3.48Å; V438-F442 WeakPolarHBondContact O-CB 3.23Å; V438-F442 PolarHBondContact O-N 3.27Å
439	V	89.5	Confident	88.2	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.006	25%	0.248	C	C	.	.	H	α-helix	trans	-63.5	-40.5	177.5	177.2	0	0	0	0	111.2	Y387 T388 L395 K435 L436 I437 F442 K443 I469	Y387-V439 HydrophobicContact CD2-CG2 4.42Å; Y387-V439 HydrophobicContact CG-CG2 4.3Å; T388-V439 HydrophobicContact CG2-CB 4.46Å; T388-V439 HydrophobicContact CG2-CG1 4.28Å; T388-V439 HydrophobicContact CG2-CG2 3.98Å; L395-V439 HydrophobicContact CD2-CG1 4.41Å; K435-V439 WeakPolarHBondContact O-CG2 3.16Å; K435-V439 PolarHBondContact O-N 2.7Å; L436-V439 PolarHBondContact O-N 2.82Å; I437-V439 VanDerWaalsContact C-N 3.34Å; I437-V439 PolarHBondContact O-N 3.44Å; V439-F442 PolarHBondContact O-N 3.09Å; V439-K443 HydrophobicContact CG1-CG 4.15Å; V439-K443 WeakPolarHBondContact O-CB 3.38Å; V439-K443 WeakPolarHBondContact O-CG 3.07Å; V439-K443 PolarHBondContact O-N 3.18Å; V439-I469 HydrophobicContact CG1-CD1 3.82Å
440	L	89.2	Confident	88.7	Confident	35 Å²	35	50.4 Å²	50.4	18%	0.183	24%	0.244	C	C	.	.	H	α-helix	trans	-59.4	-53.2	177.4	-177.1	69.2	0	0	0	111.2	L436 I437 V438 F442 K443 I444 I466 I469 L473	L436-L440 VanDerWaalsContact O-CB 3.3Å; L436-L440 WeakPolarHBondContact O-CB 3.27Å; L436-L440 PolarHBondContact O-N 2.98Å; I437-L440 WeakPolarHBondContact O-CB 3.4Å; I437-L440 PolarHBondContact O-N 3.32Å; V438-L440 VanDerWaalsContact C-N 3.35Å; V438-L440 PolarHBondContact O-N 2.91Å; L440-F442 VanDerWaalsContact C-N 3.34Å; L440-F442 PolarHBondContact O-N 3.47Å; L440-K443 PolarHBondContact O-N 3.5Å; L440-I444 HydrophobicContact CD1-CD1 4.27Å; L440-I444 HydrophobicContact CG-CD1 4.06Å; L440-I444 VanDerWaalsContact O-CG1 3.28Å; L440-I444 WeakPolarHBondContact O-CG1 3.5Å; L440-I444 PolarHBondContact O-N 3.24Å; L440-I466 HydrophobicContact CD1-CB 4.5Å; L440-I466 HydrophobicContact CD1-CG2 3.66Å; L440-I466 WeakPolarHBondContact CD1-O 3.5Å; L440-I469 HydrophobicContact CB-CG2 3.78Å; L440-I469 HydrophobicContact CD1-CB 4.02Å; L440-I469 HydrophobicContact CD1-CG2 3.98Å; L440-I469 HydrophobicContact CG-CG2 4.41Å; L440-L473 HydrophobicContact CD2-CD1 4.03Å
441	V	90.9	Very high	89	Confident	83 Å²	83	44.4 Å²	44.4	50%	0.503	22%	0.22	S	C	.	.	H	α-helix	trans	-61.4	-46.1	179.7	173.9	0	0	0	0	110.3	I437 V438 I444 V445	I437-V441 WeakPolarHBondContact O-CG2 3.41Å; I437-V441 PolarHBondContact O-N 3.22Å; V438-V441 PolarHBondContact O-N 3.48Å; V441-I444 PolarHBondContact O-N 3.33Å; V441-V445 HydrophobicContact CG1-CG2 4.46Å; V441-V445 VanDerWaalsContact O-CG2 3.31Å; V441-V445 WeakPolarHBondContact O-CG2 3.44Å; V441-V445 PolarHBondContact O-N 3.23Å
442	F	91	Very high	89	Confident	34 Å²	34	41.3 Å²	41.3	15%	0.149	21%	0.212	C	C	.	.	H	α-helix	trans	-58.9	-49.9	178.6	178.2	-102.1	0	0	0	112.4	L381 S382 T388 V438 V439 L440 I444 V445 I446	L381-F442 HydrophobicContact CB-CE2 3.43Å; L381-F442 VanDerWaalsContact CB-CE2 3.43Å; L381-F442 HydrophobicContact CB-CZ 3.72Å; L381-F442 HydrophobicContact CD1-CE2 3.96Å; L381-F442 HydrophobicContact CG-CE2 4.34Å; S382-F442 WeakPolarHBondContact OG-CE1 3.45Å; T388-F442 HydrophobicContact CG2-CD1 3.41Å; T388-F442 VanDerWaalsContact CG2-CD1 3.41Å; T388-F442 HydrophobicContact CG2-CE1 3.67Å; T388-F442 HydrophobicContact CG2-CG 4.15Å; V438-F442 WeakPolarHBondContact O-CB 3.23Å; V438-F442 PolarHBondContact O-N 3.27Å; V439-F442 PolarHBondContact O-N 3.09Å; L440-F442 VanDerWaalsContact C-N 3.34Å; L440-F442 PolarHBondContact O-N 3.47Å; F442-I444 PolarHBondContact O-N 2.83Å; F442-V445 PolarHBondContact O-N 2.85Å; F442-I446 HydrophobicContact CD1-CD1 4.31Å; F442-I446 HydrophobicContact CD2-CD1 4.07Å; F442-I446 HydrophobicContact CD2-CG1 4.21Å; F442-I446 HydrophobicContact CE1-CD1 3.6Å; F442-I446 HydrophobicContact CE1-CG1 4.3Å; F442-I446 HydrophobicContact CE2-CD1 3.28Å; F442-I446 HydrophobicContact CE2-CG1 3.88Å; F442-I446 HydrophobicContact CZ-CD1 3.04Å; F442-I446 HydrophobicContact CZ-CG1 3.99Å; F442-I446 WeakPolarHBondContact O-CB 3.37Å; F442-I446 WeakPolarHBondContact O-CG1 3.41Å; F442-I446 PolarHBondContact O-N 2.88Å
443	K	89.7	Confident	89.3	Confident	8 Å²	8	41.2 Å²	41.2	4%	0.035	21%	0.211	C	C	.	.	H	α-helix	trans	-64.3	-39.4	179.5	-74.7	-78	-172.7	175	0	111.5	S392 V439 L440 T447 I466 I469	S392-K443 PolarHBondContact OG-NZ 3.07Å; V439-K443 HydrophobicContact CG1-CG 4.15Å; V439-K443 WeakPolarHBondContact O-CB 3.38Å; V439-K443 WeakPolarHBondContact O-CG 3.07Å; V439-K443 PolarHBondContact O-N 3.18Å; L440-K443 PolarHBondContact O-N 3.5Å; K443-T447 WeakPolarHBondContact O-CB 3.25Å; K443-T447 PolarHBondContact O-N 2.97Å; K443-T447 PolarHBondContact O-OG1 3.46Å; K443-I466 HydrophobicContact CB-CG1 3.98Å; K443-I469 HydrophobicContact CG-CD1 4.4Å
444	I	88.1	Confident	89.5	Confident	37 Å²	37	43.7 Å²	43.7	19%	0.19	22%	0.22	C	C	.	.	H	α-helix	trans	-58.4	-52.9	174.4	-70.9	167	0	0	0	110.1	V343 L440 V441 F442 T447 I448 I466	V343-I444 HydrophobicContact CG1-CD1 4.1Å; L440-I444 HydrophobicContact CD1-CD1 4.27Å; L440-I444 HydrophobicContact CG-CD1 4.06Å; L440-I444 VanDerWaalsContact O-CG1 3.28Å; L440-I444 WeakPolarHBondContact O-CG1 3.5Å; L440-I444 PolarHBondContact O-N 3.24Å; V441-I444 PolarHBondContact O-N 3.33Å; F442-I444 PolarHBondContact O-N 2.83Å; I444-T447 PolarHBondContact O-N 3.42Å; I444-I448 HydrophobicContact CG2-CD1 4.14Å; I444-I448 WeakPolarHBondContact O-CG1 3.37Å; I444-I448 PolarHBondContact O-N 3.18Å; I444-I448 VanDerWaalsContact O-N 3.13Å; I444-I466 HydrophobicContact CD1-CG2 3.95Å; I444-I466 HydrophobicContact CG1-CD1 3.96Å; I444-I466 HydrophobicContact CG1-CG1 4.18Å; I444-I466 HydrophobicContact CG1-CG2 3.54Å
445	V	91.4	Very high	89.6	Confident	68 Å²	68	35.4 Å²	35.4	41%	0.412	19%	0.188	S	C	.	.	H	α-helix	trans	-64	-50.1	-176.1	174.8	0	0	0	0	111.4	V441 F442 T447 I448 F449	V441-V445 HydrophobicContact CG1-CG2 4.46Å; V441-V445 VanDerWaalsContact O-CG2 3.31Å; V441-V445 WeakPolarHBondContact O-CG2 3.44Å; V441-V445 PolarHBondContact O-N 3.23Å; F442-V445 PolarHBondContact O-N 2.85Å; V445-T447 VanDerWaalsContact C-N 3.31Å; V445-T447 PolarHBondContact O-N 3.49Å; V445-I448 WeakPolarHBondContact O-CB 3.39Å; V445-I448 PolarHBondContact O-N 3.02Å; V445-F449 HydrophobicContact CG1-CD2 3.93Å; V445-F449 HydrophobicContact CG1-CE2 3.55Å; V445-F449 WeakPolarHBondContact O-CD2 3.26Å; V445-F449 PolarHBondContact O-N 3.36Å
446	I	91.4	Very high	89.9	Confident	13 Å²	13	31.7 Å²	31.7	7%	0.067	17%	0.172	C	C	.	.	H	α-helix	trans	-62.7	-38.9	179.3	-70	-153.3	0	0	0	111.6	T378 F442 I448 F449 T450	T378-I446 HydrophobicContact CG2-CD1 3.96Å; T378-I446 HydrophobicContact CG2-CG2 4.08Å; F442-I446 HydrophobicContact CD1-CD1 4.31Å; F442-I446 HydrophobicContact CD2-CD1 4.07Å; F442-I446 HydrophobicContact CD2-CG1 4.21Å; F442-I446 HydrophobicContact CE1-CD1 3.6Å; F442-I446 HydrophobicContact CE1-CG1 4.3Å; F442-I446 HydrophobicContact CE2-CD1 3.28Å; F442-I446 HydrophobicContact CE2-CG1 3.88Å; F442-I446 HydrophobicContact CZ-CD1 3.04Å; F442-I446 HydrophobicContact CZ-CG1 3.99Å; F442-I446 WeakPolarHBondContact O-CB 3.37Å; F442-I446 WeakPolarHBondContact O-CG1 3.41Å; F442-I446 PolarHBondContact O-N 2.88Å; I446-I448 VanDerWaalsContact C-N 3.32Å; I446-I448 PolarHBondContact O-N 2.97Å; I446-F449 PolarHBondContact O-N 3.23Å; I446-T450 WeakPolarHBondContact CG2-OG1 3.45Å; I446-T450 VanDerWaalsContact O-CB 3.26Å; I446-T450 WeakPolarHBondContact O-CB 3.43Å; I446-T450 PolarHBondContact O-N 2.99Å; I446-T450 PolarHBondContact O-OG1 3.02Å
447	T	89.7	Confident	90	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.006	17%	0.172	C	C	.	.	H	α-helix	trans	-66.3	-35.5	-179.8	-54.5	0	0	0	0	111.4	S218 F347 K443 I444 V445 F449 T450 F451 L459 P462	S218-T447 PolarHBondContact OG-OG1 2.88Å; F347-T447 HydrophobicContact CE2-CG2 3.83Å; F347-T447 HydrophobicContact CZ-CG2 3.79Å; K443-T447 WeakPolarHBondContact O-CB 3.25Å; K443-T447 PolarHBondContact O-N 2.97Å; K443-T447 PolarHBondContact O-OG1 3.46Å; I444-T447 PolarHBondContact O-N 3.42Å; V445-T447 VanDerWaalsContact C-N 3.31Å; V445-T447 PolarHBondContact O-N 3.49Å; T447-F449 VanDerWaalsContact C-N 3.32Å; T447-F449 PolarHBondContact O-N 3.21Å; T447-T450 PolarHBondContact O-N 3.26Å; T447-F451 WeakPolarHBondContact O-CB 3.44Å; T447-F451 PolarHBondContact O-N 3.16Å; T447-L459 HydrophobicContact CG2-CD1 3.69Å; T447-P462 HydrophobicContact CG2-CB 3.61Å; T447-P462 HydrophobicContact CG2-CG 4.46Å
448	I	90	Very high	89.8	Confident	26 Å²	26	28.5 Å²	28.5	13%	0.133	16%	0.156	C	C	.	.	H	α-helix	trans	-58.8	-43.7	173.6	-69.8	168.3	0	0	0	111.2	F347 N351 I444 V445 I446	F347-I448 HydrophobicContact CD2-CD1 4.1Å; F347-I448 HydrophobicContact CD2-CG1 3.43Å; F347-I448 VanDerWaalsContact CD2-CG1 3.43Å; F347-I448 HydrophobicContact CE2-CB 4.37Å; F347-I448 HydrophobicContact CE2-CG1 3.46Å; F347-I448 VanDerWaalsContact CE2-CG1 3.46Å; F347-I448 HydrophobicContact CG-CG1 4.26Å; F347-I448 HydrophobicContact CZ-CG1 4.32Å; N351-I448 HydrophobicContact CB-CG2 4.5Å; N351-I448 PolarHBondContact ND2-O 2.94Å; I444-I448 HydrophobicContact CG2-CD1 4.14Å; I444-I448 WeakPolarHBondContact O-CG1 3.37Å; I444-I448 PolarHBondContact O-N 3.18Å; I444-I448 VanDerWaalsContact O-N 3.13Å; V445-I448 WeakPolarHBondContact O-CB 3.39Å; V445-I448 PolarHBondContact O-N 3.02Å; I446-I448 VanDerWaalsContact C-N 3.32Å; I446-I448 PolarHBondContact O-N 2.97Å
449	F	90.3	Very high	89.6	Confident	73 Å²	73	25.4 Å²	25.4	32%	0.32	14%	0.138	S	C	.	.	H	α-helix	trans	-77	-37	-179.3	-68.1	-63.5	0	0	0	113.1	W354 R358 V445 I446 T447	W354-F449 AromaticContact CD2-CD1 3.7Å; W354-F449 HydrophobicContact CD2-CD1 3.7Å; W354-F449 AromaticContact CD2-CE1 3.68Å; W354-F449 HydrophobicContact CD2-CE1 3.68Å; W354-F449 AromaticContact CE2-CD1 3.39Å; W354-F449 AromaticContact CE2-CE1 3.72Å; W354-F449 HydrophobicContact CE3-CD1 4.1Å; W354-F449 AromaticContact CE3-CE1 3.57Å; W354-F449 HydrophobicContact CE3-CE1 3.57Å; W354-F449 HydrophobicContact CG-CD1 4.21Å; W354-F449 HydrophobicContact CG-CE1 4.44Å; W354-F449 AromaticContact CH2-CD1 3.99Å; W354-F449 HydrophobicContact CH2-CD1 3.99Å; W354-F449 AromaticContact CH2-CE1 3.64Å; W354-F449 HydrophobicContact CH2-CE1 3.64Å; W354-F449 AromaticContact CZ2-CD1 3.57Å; W354-F449 HydrophobicContact CZ2-CD1 3.57Å; W354-F449 AromaticContact CZ2-CE1 3.73Å; W354-F449 HydrophobicContact CZ2-CE1 3.73Å; W354-F449 HydrophobicContact CZ3-CD1 4.22Å; W354-F449 AromaticContact CZ3-CE1 3.53Å; W354-F449 HydrophobicContact CZ3-CE1 3.53Å; W354-F449 AromaticContact NE1-CD1 3.6Å; R358-F449 PolarHBondContact NH2-O 3.47Å; R358-F449 VanDerWaalsContact NH2-O 3.09Å; V445-F449 HydrophobicContact CG1-CD2 3.93Å; V445-F449 HydrophobicContact CG1-CE2 3.55Å; V445-F449 WeakPolarHBondContact O-CD2 3.26Å; V445-F449 PolarHBondContact O-N 3.36Å; I446-F449 PolarHBondContact O-N 3.23Å; T447-F449 VanDerWaalsContact C-N 3.32Å; T447-F449 PolarHBondContact O-N 3.21Å
450	T	90.8	Very high	89.3	Confident	1 Å²	1	25.5 Å²	25.5	1%	0.006	14%	0.138	C	C	.	.	H	α-helix	trans	-71.5	-39.4	-177.2	-55.6	0	0	0	0	111.5	L217 I446 T447 G452 I453	L217-T450 HydrophobicContact CB-CG2 4.13Å; L217-T450 HydrophobicContact CD2-CG2 4.31Å; I446-T450 WeakPolarHBondContact CG2-OG1 3.45Å; I446-T450 VanDerWaalsContact O-CB 3.26Å; I446-T450 WeakPolarHBondContact O-CB 3.43Å; I446-T450 PolarHBondContact O-N 2.99Å; I446-T450 PolarHBondContact O-OG1 3.02Å; T447-T450 PolarHBondContact O-N 3.26Å; T450-G452 PolarHBondContact O-N 3.05Å; T450-I453 WeakPolarHBondContact O-CB 3.17Å; T450-I453 VanDerWaalsContact O-CG1 3.25Å; T450-I453 WeakPolarHBondContact O-CG1 3.4Å; T450-I453 PolarHBondContact O-N 3.01Å
451	F	87.1	Confident	89	Confident	15 Å²	15	23.9 Å²	23.9	7%	0.066	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	124.2	179.8	-170.6	-117	0	0	0	111.3	N351 T447 L459 I564 H568	N351-F451 PolarHBondContact ND2-O 3.48Å; N351-F451 WeakPolarHBondContact OD1-CD1 3.48Å; T447-F451 WeakPolarHBondContact O-CB 3.44Å; T447-F451 PolarHBondContact O-N 3.16Å; F451-L459 HydrophobicContact CB-CD1 4.24Å; F451-L459 HydrophobicContact CD1-CD1 4.48Å; F451-L459 HydrophobicContact CD1-CD2 4.29Å; F451-L459 HydrophobicContact CD2-CB 4.02Å; F451-L459 HydrophobicContact CD2-CD1 4.07Å; F451-L459 HydrophobicContact CD2-CG 4.45Å; F451-L459 HydrophobicContact CE1-CD2 4.1Å; F451-L459 HydrophobicContact CE2-CB 3.79Å; F451-L459 HydrophobicContact CE2-CD2 4.4Å; F451-L459 HydrophobicContact CG-CD1 4.02Å; F451-L459 HydrophobicContact CZ-CB 4.25Å; F451-L459 HydrophobicContact CZ-CD2 4.17Å; F451-I564 HydrophobicContact CD1-CD1 3.89Å; F451-I564 HydrophobicContact CE1-CD1 3.6Å; F451-I564 HydrophobicContact CE1-CG1 4.2Å; F451-H568 AromaticContact CD1-NE2 3.74Å; F451-H568 AromaticContact CE1-CD2 3.76Å; F451-H568 AromaticContact CE1-CE1 3.61Å; F451-H568 AromaticContact CE1-NE2 3.22Å; F451-H568 WeakPolarHBondContact CE1-NE2 3.43Å
452	G	84.5	Confident	88.8	Confident	32 Å²	32	20 Å²	20	33%	0.33	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	104	-5.7	-176.5	0	0	0	0	0	114.5	R358 T450	R358-G452 PolarHBondContact NH1-O 3.09Å; T450-G452 PolarHBondContact O-N 3.05Å
453	I	89.6	Confident	88.5	Confident	3 Å²	3	18.5 Å²	18.5	2%	0.015	10%	0.1	C	C	.	.	S	Bend	trans	-64.4	151.8	174.2	-64.4	177.4	0	0	0	110.1	R358 V371 V374 T450 V455	R358-I453 VanDerWaalsContact NH1-CA 3.28Å; V371-I453 HydrophobicContact CB-CG2 3.83Å; V371-I453 HydrophobicContact CG1-CG2 3.76Å; V371-I453 HydrophobicContact CG2-CG2 3.22Å; V374-I453 HydrophobicContact CB-CD1 3.63Å; V374-I453 HydrophobicContact CG1-CD1 3.58Å; V374-I453 HydrophobicContact CG2-CD1 3.73Å; T450-I453 WeakPolarHBondContact O-CB 3.17Å; T450-I453 VanDerWaalsContact O-CG1 3.25Å; T450-I453 WeakPolarHBondContact O-CG1 3.4Å; T450-I453 PolarHBondContact O-N 3.01Å; I453-V455 HydrophobicContact CB-CG2 4.25Å; I453-V455 HydrophobicContact CG2-CG1 4.48Å; I453-V455 HydrophobicContact CG2-CG2 4.03Å; I453-V455 PolarHBondContact O-N 3.18Å
454	K	89.8	Confident	88.2	Confident	99 Å²	99	18.6 Å²	18.6	43%	0.43	10%	0.1	S	C	.	.	S	Bend	trans	-75.8	50	-179.4	-58.8	-159.5	-169.2	169.3	0	113.5	P367	P367-K454 HydrophobicContact CB-CB 4.41Å; P367-K454 HydrophobicContact CB-CD 3.42Å; P367-K454 VanDerWaalsContact CB-CD 3.42Å; P367-K454 VanDerWaalsContact CB-CE 3.46Å; P367-K454 HydrophobicContact CB-CG 3.89Å; P367-K454 HydrophobicContact CG-CD 4Å
455	V	91.9	Very high	88.1	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.091	C	C	.	.	S	Bend	trans	-127.3	156.7	170.5	-68.8	0	0	0	0	109.1	T162 V166 G178 A212 L219 V371 I453 S457	T162-V455 HydrophobicContact CG2-CG1 4.34Å; V166-V455 HydrophobicContact CG2-CG1 3.36Å; G178-V455 PolarHBondContact N-O 3.3Å; A212-V455 HydrophobicContact CB-CB 4.4Å; L219-V455 HydrophobicContact CD2-CG2 4.37Å; V371-V455 HydrophobicContact CG1-CG1 3.77Å; V371-V455 HydrophobicContact CG2-CG1 4.4Å; I453-V455 HydrophobicContact CB-CG2 4.25Å; I453-V455 HydrophobicContact CG2-CG1 4.48Å; I453-V455 HydrophobicContact CG2-CG2 4.03Å; I453-V455 PolarHBondContact O-N 3.18Å; V455-S457 PolarHBondContact O-N 3.32Å
456	P	93.4	Very high	87.9	Confident	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.073	C	C	.	.			trans	-64.6	116	169.9	26.2	-33.5	0	0	0	109.4	K205 G208 L209 A212	K205-P456 HydrophobicContact CG-CB 4.13Å; G208-P456 WeakPolarHBondContact O-CG 2.99Å; L209-P456 HydrophobicContact CB-CB 4.31Å; L209-P456 HydrophobicContact CB-CG 4.31Å; L209-P456 HydrophobicContact CD1-CB 4.47Å; L209-P456 VanDerWaalsContact N-CG 3.34Å; A212-P456 HydrophobicContact CB-CG 4.37Å
457	S	89.8	Confident	87.6	Confident	1 Å²	1	13.3 Å²	13.3	1%	0.007	7%	0.071	C	C	.	.			trans	-146.7	128.6	-175.1	64.8	0	0	0	0	110.9	G178 S179 V455	G178-S457 CarbonylContact C-O 3.54Å; G178-S457 VanDerWaalsContact C-O 3.28Å; G178-S457 PolarHBondContact O-N 3.41Å; S179-S457 WeakPolarHBondContact CA-O 3.39Å; S179-S457 WeakPolarHBondContact CB-O 3.42Å; S179-S457 PolarHBondContact N-O 3.17Å; V455-S457 PolarHBondContact O-N 3.32Å
458	G	87.8	Confident	87.5	Confident	2 Å²	2	13.2 Å²	13.2	2%	0.021	7%	0.07	C	C	.	.	B	Isolated β-bridge	trans	-97.4	157.3	166.8	0	0	0	0	0	111.8	G220	G220-G458 PolarHBondContact N-O 3.11Å; G220-G458 WeakPolarHBondContact O-CA 3.29Å; G220-G458 PolarHBondContact O-N 3.35Å
459	L	86.7	Confident	87.4	Confident	2 Å²	2	12 Å²	12	1%	0.01	6%	0.064	C	C	.	.	S	Bend	trans	-103.5	-20	179.5	-172.9	65.4	0	0	0	113.7	F347 T447 F451 P462 S463 L519 I564	F347-L459 HydrophobicContact CE1-CD1 4.1Å; F347-L459 HydrophobicContact CE1-CD2 4.11Å; F347-L459 HydrophobicContact CZ-CD1 3.8Å; T447-L459 HydrophobicContact CG2-CD1 3.69Å; F451-L459 HydrophobicContact CB-CD1 4.24Å; F451-L459 HydrophobicContact CD1-CD1 4.48Å; F451-L459 HydrophobicContact CD1-CD2 4.29Å; F451-L459 HydrophobicContact CD2-CB 4.02Å; F451-L459 HydrophobicContact CD2-CD1 4.07Å; F451-L459 HydrophobicContact CD2-CG 4.45Å; F451-L459 HydrophobicContact CE1-CD2 4.1Å; F451-L459 HydrophobicContact CE2-CB 3.79Å; F451-L459 HydrophobicContact CE2-CD2 4.4Å; F451-L459 HydrophobicContact CG-CD1 4.02Å; F451-L459 HydrophobicContact CZ-CB 4.25Å; F451-L459 HydrophobicContact CZ-CD2 4.17Å; L459-P462 WeakPolarHBondContact O-CD 3.05Å; L459-S463 PolarHBondContact O-N 3.47Å; L459-S463 VanDerWaalsContact O-N 3.14Å; L459-S463 PolarHBondContact O-OG 3.33Å; L459-L519 HydrophobicContact CD2-CB 4.22Å; L459-L519 HydrophobicContact CD2-CD1 3.9Å; L459-L519 HydrophobicContact CD2-CD2 4.2Å; L459-L519 HydrophobicContact CD2-CG 4.34Å; L459-L519 HydrophobicContact CG-CD1 4.03Å; L459-I564 HydrophobicContact CD2-CD1 3.4Å; L459-I564 VanDerWaalsContact CD2-CD1 3.4Å; L459-I564 HydrophobicContact CD2-CG2 3.79Å
460	F	82.8	Confident	87.3	Confident	2 Å²	2	8.7 Å²	8.7	1%	0.009	5%	0.05	C	C	.	.	H	α-helix	trans	-47.8	-66.3	-179.7	-64.5	-108.4	0	0	0	111.8	I181 E222 F266 F275 S463 L464 F516 E520 Y565	I181-F460 HydrophobicContact CD1-CE2 3.24Å; I181-F460 HydrophobicContact CD1-CZ 3.4Å; E222-F460 HydrophobicContact CB-CB 4.23Å; E222-F460 HydrophobicContact CB-CG 4.44Å; F266-F460 AromaticContact CE2-CD1 3.98Å; F266-F460 HydrophobicContact CE2-CD1 3.98Å; F266-F460 HydrophobicContact CE2-CE1 4.37Å; F266-F460 HydrophobicContact CZ-CB 3.95Å; F266-F460 AromaticContact CZ-CD1 3.49Å; F266-F460 HydrophobicContact CZ-CD1 3.49Å; F266-F460 VanDerWaalsContact CZ-CD1 3.49Å; F266-F460 HydrophobicContact CZ-CE1 4.32Å; F266-F460 AromaticContact CZ-CG 3.95Å; F266-F460 HydrophobicContact CZ-CG 3.95Å; F275-F460 HydrophobicContact CZ-CZ 4.22Å; F460-S463 PolarHBondContact O-N 3.18Å; F460-S463 PolarHBondContact O-OG 2.9Å; F460-L464 VanDerWaalsContact O-CG 3.31Å; F460-L464 WeakPolarHBondContact O-CG 3.36Å; F460-L464 PolarHBondContact O-N 3.48Å; F460-F516 HydrophobicContact CB-CE2 4.1Å; F460-F516 HydrophobicContact CD1-CE1 4.47Å; F460-F516 AromaticContact CD1-CE2 3.28Å; F460-F516 HydrophobicContact CD1-CE2 3.28Å; F460-F516 AromaticContact CD1-CZ 3.19Å; F460-F516 HydrophobicContact CD1-CZ 3.19Å; F460-F516 HydrophobicContact CE1-CE1 4.4Å; F460-F516 AromaticContact CE1-CE2 3.99Å; F460-F516 HydrophobicContact CE1-CE2 3.99Å; F460-F516 AromaticContact CE1-CZ 3.38Å; F460-F516 HydrophobicContact CE1-CZ 3.38Å; F460-F516 AromaticContact CG-CE2 3.98Å; F460-F516 HydrophobicContact CG-CE2 3.98Å; F460-F516 HydrophobicContact CG-CZ 4.21Å; F460-F516 HydrophobicContact CZ-CZ 4.49Å; F460-E520 WeakPolarHBondContact CD1-OE1 3.26Å; F460-E520 WeakPolarHBondContact CE1-OE1 3.5Å; F460-E520 WeakPolarHBondContact CZ-OE1 3.31Å; F460-Y565 WeakPolarHBondContact CD2-OH 3.25Å; F460-Y565 HydrophobicContact CE2-CE2 4.47Å; F460-Y565 AromaticContact CE2-CZ 3.95Å; F460-Y565 WeakPolarHBondContact CE2-OH 3.04Å; F460-Y565 HydrophobicContact CZ-CE2 4.3Å; F460-Y565 WeakPolarHBondContact CZ-OH 3.17Å
461	V	83.3	Confident	87.2	Confident	2 Å²	2	8.6 Å²	8.6	1%	0.012	5%	0.05	C	C	.	.	H	α-helix	trans	-60.5	-45	-173.5	170.9	0	0	0	0	113.9	E222 I396 S463 L464 A465	E222-V461 HydrophobicContact CG-CG2 3.51Å; I396-V461 HydrophobicContact CD1-CG1 3.97Å; V461-S463 VanDerWaalsContact C-N 3.25Å; V461-S463 PolarHBondContact O-N 2.97Å; V461-L464 PolarHBondContact O-N 3.42Å; V461-A465 WeakPolarHBondContact O-CB 3.45Å; V461-A465 PolarHBondContact O-N 2.9Å
462	P	86.5	Confident	87.2	Confident	1 Å²	1	7.9 Å²	7.9	1%	0.006	5%	0.047	C	C	.	.	H	α-helix	trans	-55.9	-38.1	173.5	-28.6	34.5	0	0	0	113.9	S218 T447 L459 A465 I466	S218-P462 WeakPolarHBondContact O-CG 3.39Å; T447-P462 HydrophobicContact CG2-CB 3.61Å; T447-P462 HydrophobicContact CG2-CG 4.46Å; L459-P462 WeakPolarHBondContact O-CD 3.05Å; P462-A465 PolarHBondContact O-N 2.04Å; P462-I466 VanDerWaalsContact O-CG1 3.3Å; P462-I466 WeakPolarHBondContact O-CG1 2.99Å; P462-I466 PolarHBondContact O-N 3.41Å; P462-I466 VanDerWaalsContact O-N 3.08Å
463	S	84.8	Confident	87.4	Confident	3 Å²	3	7.6 Å²	7.6	2%	0.021	4%	0.037	C	C	.	.	H	α-helix	trans	-73.4	-39.7	177.7	71.2	0	0	0	0	112.9	L459 F460 V461 A465 I466 G467 L515	L459-S463 PolarHBondContact O-N 3.47Å; L459-S463 VanDerWaalsContact O-N 3.14Å; L459-S463 PolarHBondContact O-OG 3.33Å; F460-S463 PolarHBondContact O-N 3.18Å; F460-S463 PolarHBondContact O-OG 2.9Å; V461-S463 VanDerWaalsContact C-N 3.25Å; V461-S463 PolarHBondContact O-N 2.97Å; S463-A465 PolarHBondContact O-N 2.9Å; S463-I466 PolarHBondContact O-N 3.24Å; S463-G467 PolarHBondContact O-N 3.47Å; S463-L515 WeakPolarHBondContact O-CD2 2.96Å
464	L	82.7	Confident	87.3	Confident	9 Å²	9	9.4 Å²	9.4	5%	0.047	5%	0.048	C	C	.	.	H	α-helix	trans	-57.1	-42.2	171.3	-58.1	178	0	0	0	110.3	F266 I396 F460 V461 G467 A468 I512 F516	F266-L464 HydrophobicContact CE1-CD1 4.04Å; I396-L464 HydrophobicContact CD1-CB 3.8Å; F460-L464 VanDerWaalsContact O-CG 3.31Å; F460-L464 WeakPolarHBondContact O-CG 3.36Å; F460-L464 PolarHBondContact O-N 3.48Å; V461-L464 PolarHBondContact O-N 3.42Å; L464-G467 PolarHBondContact O-N 3.23Å; L464-A468 VanDerWaalsContact O-CB 3.29Å; L464-A468 WeakPolarHBondContact O-CB 3.46Å; L464-A468 PolarHBondContact O-N 3.34Å; L464-I512 HydrophobicContact CB-CG2 3.73Å; L464-I512 HydrophobicContact CD1-CG2 4.43Å; L464-I512 HydrophobicContact CD2-CG2 3.06Å; L464-I512 HydrophobicContact CG-CG2 3.82Å; L464-F516 HydrophobicContact CD2-CD2 3.52Å; L464-F516 HydrophobicContact CD2-CE2 4.01Å; L464-F516 HydrophobicContact CD2-CG 4.47Å; L464-F516 HydrophobicContact CG-CD2 4.43Å
465	A	85.9	Confident	87.1	Confident	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-64.5	-46.8	178.7	0	0	0	0	0	112.5	I396 V461 P462 S463 G467 A468 I469	I396-A465 HydrophobicContact CD1-CB 4.02Å; I396-A465 HydrophobicContact CG1-CB 3.85Å; V461-A465 WeakPolarHBondContact O-CB 3.45Å; V461-A465 PolarHBondContact O-N 2.9Å; P462-A465 PolarHBondContact O-N 2.04Å; S463-A465 PolarHBondContact O-N 2.9Å; A465-G467 VanDerWaalsContact C-N 3.3Å; A465-G467 PolarHBondContact O-N 3.05Å; A465-A468 PolarHBondContact O-N 3.45Å; A465-I469 WeakPolarHBondContact O-CD1 3.48Å; A465-I469 WeakPolarHBondContact O-CG1 3.38Å; A465-I469 PolarHBondContact O-N 3.28Å
466	I	86.9	Confident	86.8	Confident	6 Å²	6	4.8 Å²	4.8	3%	0.031	3%	0.028	C	C	.	.	H	α-helix	trans	-61.9	-41.3	176.4	-64.3	162.2	0	0	0	110.4	L440 K443 I444 P462 S463 G470 L515	L440-I466 HydrophobicContact CD1-CB 4.5Å; L440-I466 HydrophobicContact CD1-CG2 3.66Å; L440-I466 WeakPolarHBondContact CD1-O 3.5Å; K443-I466 HydrophobicContact CB-CG1 3.98Å; I444-I466 HydrophobicContact CD1-CG2 3.95Å; I444-I466 HydrophobicContact CG1-CD1 3.96Å; I444-I466 HydrophobicContact CG1-CG1 4.18Å; I444-I466 HydrophobicContact CG1-CG2 3.54Å; P462-I466 VanDerWaalsContact O-CG1 3.3Å; P462-I466 WeakPolarHBondContact O-CG1 2.99Å; P462-I466 PolarHBondContact O-N 3.41Å; P462-I466 VanDerWaalsContact O-N 3.08Å; S463-I466 PolarHBondContact O-N 3.24Å; I466-G470 PolarHBondContact O-N 3.05Å; I466-G470 VanDerWaalsContact O-N 3.07Å; I466-L515 HydrophobicContact CB-CD2 3.47Å; I466-L515 VanDerWaalsContact CB-CD2 3.47Å; I466-L515 HydrophobicContact CD1-CD2 4.31Å; I466-L515 HydrophobicContact CG2-CD2 3.37Å
467	G	86.1	Confident	86.4	Confident	1 Å²	1	6.9 Å²	6.9	1%	0.01	5%	0.046	C	C	.	.	H	α-helix	trans	-58.4	-53.4	172.9	0	0	0	0	0	112	S463 L464 A465 I469 G470 G471 K511	S463-G467 PolarHBondContact O-N 3.47Å; L464-G467 PolarHBondContact O-N 3.23Å; A465-G467 VanDerWaalsContact C-N 3.3Å; A465-G467 PolarHBondContact O-N 3.05Å; G467-I469 PolarHBondContact O-N 2.77Å; G467-G470 CarbonylContact O-C 3.55Å; G467-G470 PolarHBondContact O-N 3.37Å; G467-G471 PolarHBondContact O-N 3.39Å; G467-K511 WeakPolarHBondContact O-CB 3.4Å; G467-K511 VanDerWaalsContact O-CG 3.25Å; G467-K511 WeakPolarHBondContact O-CG 3.43Å
468	A	86.6	Confident	86.2	Confident	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-59.2	-43.2	180	0	0	0	0	0	112.8	L399 F400 L464 A465 G471 R472 I512	L399-A468 HydrophobicContact CB-CB 4.25Å; L399-A468 HydrophobicContact CD1-CB 3.79Å; F400-A468 HydrophobicContact CE1-CB 3.79Å; F400-A468 HydrophobicContact CZ-CB 4.29Å; L464-A468 VanDerWaalsContact O-CB 3.29Å; L464-A468 WeakPolarHBondContact O-CB 3.46Å; L464-A468 PolarHBondContact O-N 3.34Å; A465-A468 PolarHBondContact O-N 3.45Å; A468-G471 PolarHBondContact O-N 2.99Å; A468-R472 WeakPolarHBondContact O-CB 3.24Å; A468-R472 PolarHBondContact O-N 3.13Å; A468-I512 HydrophobicContact CB-CG1 4.23Å
469	I	88.3	Confident	85.9	Confident	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-61.1	-49.5	175.8	-64	157.9	0	0	0	109.8	L395 L399 L436 V439 L440 K443 A465 G467 G471 R472 L473	L395-I469 HydrophobicContact CD2-CD1 4.14Å; L399-I469 HydrophobicContact CD1-CB 4.44Å; L399-I469 HydrophobicContact CD1-CG1 3.58Å; L399-I469 HydrophobicContact CD2-CG1 4.4Å; L436-I469 HydrophobicContact CB-CG2 4.31Å; L436-I469 HydrophobicContact CD2-CG2 4.29Å; L436-I469 WeakPolarHBondContact O-CG2 3.4Å; V439-I469 HydrophobicContact CG1-CD1 3.82Å; L440-I469 HydrophobicContact CB-CG2 3.78Å; L440-I469 HydrophobicContact CD1-CB 4.02Å; L440-I469 HydrophobicContact CD1-CG2 3.98Å; L440-I469 HydrophobicContact CG-CG2 4.41Å; K443-I469 HydrophobicContact CG-CD1 4.4Å; A465-I469 WeakPolarHBondContact O-CD1 3.48Å; A465-I469 WeakPolarHBondContact O-CG1 3.38Å; A465-I469 PolarHBondContact O-N 3.28Å; G467-I469 PolarHBondContact O-N 2.77Å; I469-G471 VanDerWaalsContact C-N 3.25Å; I469-G471 PolarHBondContact O-N 3.49Å; I469-R472 PolarHBondContact O-N 3.06Å; I469-L473 HydrophobicContact CG2-CD1 4.26Å; I469-L473 WeakPolarHBondContact O-CG 2.85Å; I469-L473 PolarHBondContact O-N 2.92Å
470	G	87.6	Confident	85.6	Confident	3 Å²	3	12.1 Å²	12.1	3%	0.031	7%	0.068	C	C	.	.	H	α-helix	trans	-66.3	-27.8	179.4	0	0	0	0	0	113.3	I466 G467 K511	I466-G470 PolarHBondContact O-N 3.05Å; I466-G470 VanDerWaalsContact O-N 3.07Å; G467-G470 CarbonylContact O-C 3.55Å; G467-G470 PolarHBondContact O-N 3.37Å; G470-K511 PolarHBondContact O-NZ 3.03Å
471	G	88.3	Confident	85.5	Confident	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-73.9	-46.7	174.6	0	0	0	0	0	111.2	G467 A468 I469 L473 V474 G475 Y507	G467-G471 PolarHBondContact O-N 3.39Å; A468-G471 PolarHBondContact O-N 2.99Å; I469-G471 VanDerWaalsContact C-N 3.25Å; I469-G471 PolarHBondContact O-N 3.49Å; G471-L473 VanDerWaalsContact C-N 3.31Å; G471-L473 PolarHBondContact O-N 3.09Å; G471-V474 PolarHBondContact O-N 3.39Å; G471-V474 VanDerWaalsContact O-N 3.16Å; G471-G475 PolarHBondContact O-N 3.5Å; G471-Y507 VanDerWaalsContact CA-O 3.25Å; G471-Y507 WeakPolarHBondContact CA-O 3.07Å; G471-Y507 VanDerWaalsContact O-CB 3.25Å; G471-Y507 WeakPolarHBondContact O-CB 3.36Å
472	R	88	Confident	85.3	Confident	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-59.1	-42.5	175.7	-169.9	68.1	-178.7	-155.4	4.9	111.8	L399 N401 C403 L436 A468 I469 V474 G475 I476 G505 A508	L399-R472 HydrophobicContact CD2-CB 3.83Å; L399-R472 HydrophobicContact CD2-CG 3.98Å; L399-R472 WeakPolarHBondContact O-CD 3.44Å; L399-R472 PolarHBondContact O-NH1 2.86Å; N401-R472 PolarHBondContact O-NH1 3.42Å; N401-R472 PolarHBondContact O-NH2 2.98Å; C403-R472 PolarHBondContact SG-NH2 2.96Å; L436-R472 HydrophobicContact CD1-CG 4.27Å; A468-R472 WeakPolarHBondContact O-CB 3.24Å; A468-R472 PolarHBondContact O-N 3.13Å; I469-R472 PolarHBondContact O-N 3.06Å; R472-V474 VanDerWaalsContact C-N 3.32Å; R472-V474 PolarHBondContact O-N 2.83Å; R472-G475 PolarHBondContact O-N 3.36Å; R472-I476 HydrophobicContact CG-CD1 3.98Å; R472-I476 HydrophobicContact CG-CG1 4.43Å; R472-I476 VanDerWaalsContact O-CG1 3.28Å; R472-I476 WeakPolarHBondContact O-CG1 2.91Å; R472-I476 PolarHBondContact O-N 3.06Å; R472-G505 VanDerWaalsContact NH1-CA 3.28Å; R472-G505 VanDerWaalsContact NH1-N 3.2Å; R472-A508 HydrophobicContact CB-CB 3.98Å
473	L	88.3	Confident	84.7	Confident	25 Å²	25	20.1 Å²	20.1	13%	0.131	11%	0.106	C	C	.	.	H	α-helix	trans	-55.7	-45.2	175.5	-82.9	170.1	0	0	0	112.4	I433 L436 I437 L440 I469 G471 A477	I433-L473 HydrophobicContact CG2-CD2 4.03Å; L436-L473 HydrophobicContact CB-CD1 4.28Å; L436-L473 HydrophobicContact CB-CD2 3.57Å; L436-L473 HydrophobicContact CB-CG 3.87Å; L436-L473 HydrophobicContact CD1-CD2 4.01Å; L436-L473 HydrophobicContact CD1-CG 4.22Å; L436-L473 HydrophobicContact CG-CD2 4.47Å; I437-L473 HydrophobicContact CG1-CD1 4.03Å; I437-L473 HydrophobicContact CG1-CD2 4.04Å; L440-L473 HydrophobicContact CD2-CD1 4.03Å; I469-L473 HydrophobicContact CG2-CD1 4.26Å; I469-L473 WeakPolarHBondContact O-CG 2.85Å; I469-L473 PolarHBondContact O-N 2.92Å; G471-L473 VanDerWaalsContact C-N 3.31Å; G471-L473 PolarHBondContact O-N 3.09Å; L473-A477 PolarHBondContact O-N 3.29Å; L473-A477 VanDerWaalsContact O-N 3.1Å
474	V	87.3	Confident	84.3	Confident	41 Å²	41	23.8 Å²	23.8	25%	0.248	13%	0.128	C	C	.	.	H	α-helix	trans	-76	-34.6	178.5	173.5	0	0	0	0	111.9	L336 G471 R472 I476 A477 M478 Y507	L336-V474 HydrophobicContact CD1-CB 4.09Å; L336-V474 HydrophobicContact CD1-CG1 3.92Å; L336-V474 HydrophobicContact CD2-CB 3.61Å; L336-V474 HydrophobicContact CD2-CG1 3.81Å; L336-V474 HydrophobicContact CD2-CG2 3.33Å; L336-V474 HydrophobicContact CG-CB 4.15Å; L336-V474 HydrophobicContact CG-CG1 3.88Å; L336-V474 HydrophobicContact CG-CG2 4.33Å; G471-V474 PolarHBondContact O-N 3.39Å; G471-V474 VanDerWaalsContact O-N 3.16Å; R472-V474 VanDerWaalsContact C-N 3.32Å; R472-V474 PolarHBondContact O-N 2.83Å; V474-I476 VanDerWaalsContact C-N 3.34Å; V474-I476 PolarHBondContact O-N 2.84Å; V474-A477 CarbonylContact O-C 3.59Å; V474-A477 WeakPolarHBondContact O-CB 3.04Å; V474-A477 PolarHBondContact O-N 2.6Å; V474-M478 HydrophobicContact CG1-CG 4.24Å; V474-M478 WeakPolarHBondContact O-CG 3.45Å; V474-M478 PolarHBondContact O-N 2.71Å; V474-Y507 HydrophobicContact CG1-CD1 4.4Å
475	G	86.7	Confident	83.9	Confident	0 Å²	0	27 Å²	27	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-58	-45.7	171.6	0	0	0	0	0	112.4	G471 R472 A477 M478 E479	G471-G475 PolarHBondContact O-N 3.5Å; R472-G475 PolarHBondContact O-N 3.36Å; G475-A477 VanDerWaalsContact C-N 3.33Å; G475-A477 PolarHBondContact O-N 3.26Å; G475-M478 PolarHBondContact O-N 2.81Å; G475-E479 WeakPolarHBondContact O-CB 3.3Å; G475-E479 PolarHBondContact O-N 3.25Å
476	I	85.7	Confident	83	Confident	2 Å²	2	32.5 Å²	32.5	1%	0.01	17%	0.169	C	C	.	.	H	α-helix	trans	-64.5	-39.8	176	-67.5	169	0	0	0	110.5	Y414 L429 I433 L436 R472 V474 E479 R480 P504	Y414-I476 HydrophobicContact CE1-CD1 4.42Å; L429-I476 HydrophobicContact CD1-CG2 3.56Å; I433-I476 HydrophobicContact CD1-CG2 4.22Å; I433-I476 HydrophobicContact CG1-CG2 4.17Å; L436-I476 HydrophobicContact CD1-CD1 3.89Å; R472-I476 HydrophobicContact CG-CD1 3.98Å; R472-I476 HydrophobicContact CG-CG1 4.43Å; R472-I476 VanDerWaalsContact O-CG1 3.28Å; R472-I476 WeakPolarHBondContact O-CG1 2.91Å; R472-I476 PolarHBondContact O-N 3.06Å; V474-I476 VanDerWaalsContact C-N 3.34Å; V474-I476 PolarHBondContact O-N 2.84Å; I476-E479 PolarHBondContact O-N 3.36Å; I476-R480 WeakPolarHBondContact O-CB 3.04Å; I476-R480 PolarHBondContact O-N 3.03Å; I476-P504 HydrophobicContact CG1-CB 3.94Å; I476-P504 HydrophobicContact CG1-CG 4.5Å
477	A	85.5	Confident	82	Confident	44 Å²	44	41.6 Å²	41.6	36%	0.364	21%	0.211	S	C	.	.	H	α-helix	trans	-64.1	-40	174.9	0	0	0	0	0	112.3	L473 V474 G475 R480 I481	L473-A477 PolarHBondContact O-N 3.29Å; L473-A477 VanDerWaalsContact O-N 3.1Å; V474-A477 CarbonylContact O-C 3.59Å; V474-A477 WeakPolarHBondContact O-CB 3.04Å; V474-A477 PolarHBondContact O-N 2.6Å; G475-A477 VanDerWaalsContact C-N 3.33Å; G475-A477 PolarHBondContact O-N 3.26Å; A477-R480 WeakPolarHBondContact O-CB 3.49Å; A477-R480 PolarHBondContact O-N 3.23Å; A477-I481 VanDerWaalsContact O-CG1 3.27Å; A477-I481 WeakPolarHBondContact O-CG1 3.47Å; A477-I481 PolarHBondContact O-N 3.21Å
478	M	84	Confident	81.2	Confident	30 Å²	30	42.8 Å²	42.8	15%	0.148	22%	0.222	C	C	.	.	H	α-helix	trans	-71	-39.8	176.9	-67.7	-50.6	-88.3	0	0	112	P332 V474 G475 R480 I481 A482 V502 Y507	P332-M478 HydrophobicContact CB-CE 3.73Å; P332-M478 HydrophobicContact CB-CG 4.24Å; P332-M478 HydrophobicContact CB-SD 4.16Å; P332-M478 HydrophobicContact CG-CE 3.49Å; P332-M478 VanDerWaalsContact CG-CE 3.49Å; P332-M478 HydrophobicContact CG-SD 4.49Å; V474-M478 HydrophobicContact CG1-CG 4.24Å; V474-M478 WeakPolarHBondContact O-CG 3.45Å; V474-M478 PolarHBondContact O-N 2.71Å; G475-M478 PolarHBondContact O-N 2.81Å; M478-R480 PolarHBondContact O-N 2.72Å; M478-I481 PolarHBondContact O-N 2.73Å; M478-I481 HydrophobicContact SD-CD1 3.92Å; M478-A482 WeakPolarHBondContact O-CB 3.21Å; M478-A482 PolarHBondContact O-N 3.15Å; M478-V502 HydrophobicContact CB-CG1 4.09Å; M478-Y507 HydrophobicContact CB-CE2 4.29Å; M478-Y507 HydrophobicContact CG-CE1 4.16Å
479	E	81.3	Confident	80.3	Confident	37 Å²	37	52.3 Å²	52.3	17%	0.173	26%	0.257	C	S	.	.	H	α-helix	trans	-54.5	-43.6	169.5	-178	178.8	-160.3	0	0	110.1	Y414 K415 G475 I476 A482 F483 V502	Y414-E479 PolarHBondContact OH-OE2 3.17Å; K415-E479 WeakPolarHBondContact CE-OE1 3.33Å; K415-E479 IonicContact NZ-OE1 3.47Å; G475-E479 WeakPolarHBondContact O-CB 3.3Å; G475-E479 PolarHBondContact O-N 3.25Å; I476-E479 PolarHBondContact O-N 3.36Å; E479-A482 PolarHBondContact O-N 3.14Å; E479-F483 WeakPolarHBondContact O-CB 3.35Å; E479-F483 PolarHBondContact O-N 2.76Å; E479-V502 HydrophobicContact CB-CG1 4.43Å
480	R	80.8	Confident	79.2	Confident	49 Å²	49	58 Å²	58	19%	0.185	28%	0.279	C	S	.	.	H	α-helix	trans	-64.1	-45.6	177	-175.9	59.1	178.9	-173.5	5	113.2	P424 I476 A477 M478 F483 T484	P424-R480 PolarHBondContact O-NH1 3.38Å; P424-R480 PolarHBondContact O-NH2 2.75Å; I476-R480 WeakPolarHBondContact O-CB 3.04Å; I476-R480 PolarHBondContact O-N 3.03Å; A477-R480 WeakPolarHBondContact O-CB 3.49Å; A477-R480 PolarHBondContact O-N 3.23Å; M478-R480 PolarHBondContact O-N 2.72Å; R480-F483 PolarHBondContact O-N 3.49Å; R480-T484 WeakPolarHBondContact O-CB 3.04Å; R480-T484 PolarHBondContact O-N 3.05Å; R480-T484 PolarHBondContact O-OG1 2.88Å
481	I	81.6	Confident	78.1	Confident	75 Å²	75	58.8 Å²	58.8	39%	0.385	28%	0.281	S	S	.	.	H	α-helix	trans	-64.3	-44.1	179.5	-69.7	163.6	0	0	0	110.3	A477 M478 T484 N485	A477-I481 VanDerWaalsContact O-CG1 3.27Å; A477-I481 WeakPolarHBondContact O-CG1 3.47Å; A477-I481 PolarHBondContact O-N 3.21Å; M478-I481 PolarHBondContact O-N 2.73Å; M478-I481 HydrophobicContact SD-CD1 3.92Å; I481-T484 PolarHBondContact O-N 2.94Å; I481-N485 WeakPolarHBondContact O-CB 3.5Å; I481-N485 PolarHBondContact O-N 2.78Å
482	A	78.8	Confident	76.6	Confident	2 Å²	2	61.1 Å²	61.1	2%	0.017	31%	0.306	C	S	.	.	H	α-helix	trans	-63.3	-41.1	177.4	0	0	0	0	0	111.7	M478 E479 K486 W491 C501 V502	M478-A482 WeakPolarHBondContact O-CB 3.21Å; M478-A482 PolarHBondContact O-N 3.15Å; E479-A482 PolarHBondContact O-N 3.14Å; A482-K486 PolarHBondContact O-N 3.12Å; A482-W491 HydrophobicContact CB-CD2 4.26Å; A482-W491 HydrophobicContact CB-CE3 4.33Å; A482-W491 HydrophobicContact CB-CH2 4.34Å; A482-W491 HydrophobicContact CB-CZ2 4.26Å; A482-W491 HydrophobicContact CB-CZ3 4.37Å; A482-C501 HydrophobicContact CB-CB 4.4Å; A482-V502 HydrophobicContact CB-CG2 4.05Å
483	F	73.8	Confident	75.2	Confident	96 Å²	96	67.8 Å²	67.8	42%	0.421	34%	0.34	S	S	.	.	H	α-helix	trans	-67.8	-37.5	177.2	-172.1	-81.9	0	0	0	112.9	P424 E479 R480 K486	P424-F483 HydrophobicContact CB-CD1 4.32Å; P424-F483 HydrophobicContact CB-CE1 3.62Å; P424-F483 HydrophobicContact CB-CZ 4.01Å; P424-F483 HydrophobicContact CG-CE1 3.47Å; P424-F483 VanDerWaalsContact CG-CE1 3.47Å; P424-F483 HydrophobicContact CG-CZ 3.82Å; E479-F483 WeakPolarHBondContact O-CB 3.35Å; E479-F483 PolarHBondContact O-N 2.76Å; R480-F483 PolarHBondContact O-N 3.49Å; F483-K486 VanDerWaalsContact CD2-CE 3.46Å; F483-K486 WeakPolarHBondContact O-CE 3.45Å; F483-K486 WeakPolarHBondContact O-CG 3.1Å
484	T	76.3	Confident	74.1	Confident	80 Å²	80	71.8 Å²	71.8	49%	0.491	36%	0.358	S	S	.	.	H	α-helix	trans	-74.3	-36.6	-179.5	-50.9	0	0	0	0	111.4	R480 I481	R480-T484 WeakPolarHBondContact O-CB 3.04Å; R480-T484 PolarHBondContact O-N 3.05Å; R480-T484 PolarHBondContact O-OG1 2.88Å; I481-T484 PolarHBondContact O-N 2.94Å
485	N	74.8	Confident	73.2	Confident	77 Å²	77	71.4 Å²	71.4	41%	0.412	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	41.6	-175.5	-67	-34.7	0	0	0	113	I481 E487 A488	I481-N485 WeakPolarHBondContact O-CB 3.5Å; I481-N485 PolarHBondContact O-N 2.78Å; N485-E487 PolarHBondContact O-N 2.92Å; N485-A488 HydrophobicContact CB-CB 4.06Å; N485-A488 WeakPolarHBondContact O-CB 3.31Å; N485-A488 PolarHBondContact O-N 3.46Å; N485-A488 VanDerWaalsContact O-N 3.1Å
486	K	67.2	Low	72	Confident	115 Å²	115	76.8 Å²	76.8	50%	0.5	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-33	178.9	-74.4	173.3	-172.8	179	0	113.5	A482 F483	A482-K486 PolarHBondContact O-N 3.12Å; F483-K486 VanDerWaalsContact CD2-CE 3.46Å; F483-K486 WeakPolarHBondContact O-CE 3.45Å; F483-K486 WeakPolarHBondContact O-CG 3.1Å
487	E	65.3	Low	70.6	Confident	196 Å²	196	89 Å²	89	92%	0.916	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-9.4	-177.3	-61.6	-114.7	150.8	0	0	113.4	N485 W489	N485-E487 PolarHBondContact O-N 2.92Å; E487-W489 PolarHBondContact O-N 3.45Å
488	A	69.2	Low	69.3	Low	27 Å²	27	91.1 Å²	91.1	22%	0.223	45%	0.454	C	S	.	.	S	Bend	trans	-69.9	132.8	-177.6	0	0	0	0	0	110.1	N485 W490 W491 G492	N485-A488 HydrophobicContact CB-CB 4.06Å; N485-A488 WeakPolarHBondContact O-CB 3.31Å; N485-A488 PolarHBondContact O-N 3.46Å; N485-A488 VanDerWaalsContact O-N 3.1Å; A488-W490 PolarHBondContact O-N 3.35Å; A488-W491 PolarHBondContact O-N 3.34Å; A488-G492 PolarHBondContact O-N 3.1Å; A488-G492 VanDerWaalsContact O-N 3.09Å
489	W	66.9	Low	68.3	Low	199 Å²	199	98.1 Å²	98.1	75%	0.754	48%	0.479	S	S	*	.	H	α-helix	trans	-47.1	-33.2	-169.3	69.8	-77.9	0	0	0	114.8	E487 L493	E487-W489 PolarHBondContact O-N 3.45Å; W489-L493 VanDerWaalsContact O-CD1 3.3Å; W489-L493 WeakPolarHBondContact O-CD1 2.88Å
490	W	65.8	Low	67.5	Low	121 Å²	121	100.2 Å²	100.2	46%	0.458	49%	0.494	S	S	.	.	H	α-helix	trans	-76.3	-32.1	179.6	42.8	23.4	0	0	0	115.6	I328 A488	I328-W490 HydrophobicContact CD1-CB 3.72Å; A488-W490 PolarHBondContact O-N 3.35Å
491	W	64.7	Low	67.1	Low	18 Å²	18	99.7 Å²	99.7	7%	0.068	50%	0.498	C	S	.	.	H	α-helix	trans	-86.8	-35.9	177.8	-71.9	118.9	0	0	0	110.8	A482 A488 L493 H494 C495 V502	A482-W491 HydrophobicContact CB-CD2 4.26Å; A482-W491 HydrophobicContact CB-CE3 4.33Å; A482-W491 HydrophobicContact CB-CH2 4.34Å; A482-W491 HydrophobicContact CB-CZ2 4.26Å; A482-W491 HydrophobicContact CB-CZ3 4.37Å; A488-W491 PolarHBondContact O-N 3.34Å; W491-L493 PolarHBondContact O-N 3.14Å; W491-H494 PolarHBondContact O-N 2.77Å; W491-C495 PolarHBondContact O-N 2.6Å; W491-V502 HydrophobicContact CH2-CG2 3.91Å; W491-V502 HydrophobicContact CZ3-CG2 3.91Å
492	G	57.4	Low	67	Low	50 Å²	50	96.3 Å²	96.3	52%	0.515	48%	0.48	S	S	.	.	H	α-helix	trans	-63.1	-20.5	179.9	0	0	0	0	0	114.9	A488	A488-G492 PolarHBondContact O-N 3.1Å; A488-G492 VanDerWaalsContact O-N 3.09Å
493	L	58	Low	67	Low	139 Å²	139	97 Å²	97	73%	0.728	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-25.4	175.9	-104.1	94	0	0	0	114.4	W489 W491	W489-L493 VanDerWaalsContact O-CD1 3.3Å; W489-L493 WeakPolarHBondContact O-CD1 2.88Å; W491-L493 PolarHBondContact O-N 3.14Å
494	H	64.2	Low	67.5	Low	109 Å²	109	92.4 Å²	92.4	51%	0.505	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119	-18.4	-167.8	-65.8	89.1	0	0	0	113.6	W491	W491-H494 PolarHBondContact O-N 2.77Å
495	C	68.4	Low	67.6	Low	33 Å²	33	88.6 Å²	88.6	22%	0.223	44%	0.44	C	S	.	.			trans	-93.7	109.4	176.3	-164.9	0	0	0	0	111.1	W491 R497 C501	W491-C495 PolarHBondContact O-N 2.6Å; C495-R497 PolarHBondContact O-N 2.99Å; C495-C501 HydrophobicContact CB-CB 3.71Å; C495-C501 WeakPolarHBondContact CB-SG 3.4Å; C495-C501 VanDerWaalsContact SG-CA 3.53Å; C495-C501 WeakPolarHBondContact SG-CB 3.3Å; C495-C501 CovalentContact SG-SG 2.01Å; C495-C501 PolarHBondContact SG-SG 2.83Å
496	E	62.8	Low	67.9	Low	114 Å²	114	85.2 Å²	85.2	53%	0.533	42%	0.422	S	S	.	.			trans	-62.7	133.6	170.4	-70.2	178.9	174.8	0	0	110.1	G498 R499	E496-G498 PolarHBondContact O-N 3.47Å; E496-G498 VanDerWaalsContact O-N 3.11Å; E496-R499 PolarHBondContact O-N 3.4Å; E496-R499 VanDerWaalsContact O-N 3.14Å; E496-R499 IonicContact OE1-NH1 3.21Å; E496-R499 VanDerWaalsContact OE2-CD 3.32Å; E496-R499 WeakPolarHBondContact OE2-CD 3.36Å; E496-R499 IonicContact OE2-CZ 2.72Å; E496-R499 VanDerWaalsContact OE2-CZ 3.28Å; E496-R499 IonicContact OE2-NE 3.62Å; E496-R499 PolarHBondContact OE2-NE 3.2Å; E496-R499 IonicContact OE2-NH1 2.62Å; E496-R499 PolarHBondContact OE2-NH1 3.02Å
497	R	55.6	Low	68.7	Low	258 Å²	258	79.8 Å²	79.8	97%	0.974	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	119.3	177.3	-72.6	-177.2	175.3	150.9	-2	109.8	C495	C495-R497 PolarHBondContact O-N 2.99Å
498	G	58.2	Low	69.6	Low	88 Å²	88	70.4 Å²	70.4	91%	0.907	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.6	0.4	177.8	0	0	0	0	0	115.6	E496	E496-G498 PolarHBondContact O-N 3.47Å; E496-G498 VanDerWaalsContact O-N 3.11Å
499	R	62.5	Low	69.9	Low	177 Å²	177	69.4 Å²	69.4	67%	0.668	35%	0.345	S	S	*	.	S	Bend	trans	-108.8	151.9	170.9	-69.5	-173.7	174.6	167.2	-7.7	111.2	E496 C501	E496-R499 PolarHBondContact O-N 3.4Å; E496-R499 VanDerWaalsContact O-N 3.14Å; E496-R499 IonicContact OE1-NH1 3.21Å; E496-R499 VanDerWaalsContact OE2-CD 3.32Å; E496-R499 WeakPolarHBondContact OE2-CD 3.36Å; E496-R499 IonicContact OE2-CZ 2.72Å; E496-R499 VanDerWaalsContact OE2-CZ 3.28Å; E496-R499 IonicContact OE2-NE 3.62Å; E496-R499 PolarHBondContact OE2-NE 3.2Å; E496-R499 IonicContact OE2-NH1 2.62Å; E496-R499 PolarHBondContact OE2-NH1 3.02Å; R499-C501 PolarHBondContact O-N 2.78Å
500	T	65.7	Low	70.1	Confident	82 Å²	82	60.2 Å²	60.2	50%	0.503	31%	0.311	S	S	.	.			trans	-65.9	122.1	172	46.1	0	0	0	0	108.8	M323 V502	M323-T500 WeakPolarHBondContact CE-O 3.46Å; T500-V502 VanDerWaalsContact C-N 3.34Å
501	C	72.3	Confident	70.1	Confident	37 Å²	37	56 Å²	56	25%	0.25	30%	0.296	C	S	.	.	S	Bend	trans	-74.5	-29.3	-178.3	-40.9	0	0	0	0	112.4	A482 C495 R499	A482-C501 HydrophobicContact CB-CB 4.4Å; C495-C501 HydrophobicContact CB-CB 3.71Å; C495-C501 WeakPolarHBondContact CB-SG 3.4Å; C495-C501 VanDerWaalsContact SG-CA 3.53Å; C495-C501 WeakPolarHBondContact SG-CB 3.3Å; C495-C501 CovalentContact SG-SG 2.01Å; C495-C501 PolarHBondContact SG-SG 2.83Å; R499-C501 PolarHBondContact O-N 2.78Å
502	V	79	Confident	69.8	Low	4 Å²	4	55.3 Å²	55.3	2%	0.024	29%	0.294	C	S	.	.			trans	-140.1	125.9	-172.1	170.2	0	0	0	0	107.9	M478 E479 A482 W491 T500 Y507	M478-V502 HydrophobicContact CB-CG1 4.09Å; E479-V502 HydrophobicContact CB-CG1 4.43Å; A482-V502 HydrophobicContact CB-CG2 4.05Å; W491-V502 HydrophobicContact CH2-CG2 3.91Å; W491-V502 HydrophobicContact CZ3-CG2 3.91Å; T500-V502 VanDerWaalsContact C-N 3.34Å; V502-Y507 HydrophobicContact CG1-CD2 4.2Å; V502-Y507 HydrophobicContact CG1-CE2 3.58Å
503	E	79.5	Confident	69.7	Low	16 Å²	16	52.9 Å²	52.9	8%	0.075	27%	0.269	C	S	.	.			trans	-103.5	113.7	175.3	-167	62.3	-121.1	0	0	109.7	Y321 M323 K415 G505 M506	Y321-E503 HydrophobicContact CD1-CG 3.97Å; Y321-E503 HydrophobicContact CE1-CG 3.69Å; M323-E503 HydrophobicContact CE-CB 3.84Å; M323-E503 HydrophobicContact SD-CB 4.18Å; K415-E503 IonicContact NZ-OE1 3.92Å; K415-E503 PolarHBondContact NZ-OE1 2.99Å; K415-E503 IonicContact NZ-OE2 3.63Å; E503-G505 PolarHBondContact O-N 3.44Å; E503-G505 VanDerWaalsContact O-N 3.12Å; E503-M506 HydrophobicContact CB-CG 4.07Å; E503-M506 WeakPolarHBondContact O-CB 3.47Å; E503-M506 PolarHBondContact O-N 3.35Å
504	P	83.1	Confident	69.5	Low	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61.8	-23.9	-175.6	24.9	-37.9	0	0	0	114	I476 M506 Y507 A508	I476-P504 HydrophobicContact CG1-CB 3.94Å; I476-P504 HydrophobicContact CG1-CG 4.5Å; P504-M506 PolarHBondContact O-N 3.42Å; P504-Y507 PolarHBondContact O-N 3.44Å; P504-A508 PolarHBondContact O-N 2.89Å; P504-A508 VanDerWaalsContact O-N 3.14Å
505	G	79.5	Confident	69.1	Low	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61.6	-30.7	173.5	0	0	0	0	0	113.1	Y321 R472 E503 A508 M509	Y321-G505 WeakPolarHBondContact OH-CA 3.33Å; Y321-G505 PolarHBondContact OH-O 3.44Å; R472-G505 VanDerWaalsContact NH1-CA 3.28Å; R472-G505 VanDerWaalsContact NH1-N 3.2Å; E503-G505 PolarHBondContact O-N 3.44Å; E503-G505 VanDerWaalsContact O-N 3.12Å; G505-A508 WeakPolarHBondContact O-CB 3.46Å; G505-A508 PolarHBondContact O-N 3.47Å; G505-M509 WeakPolarHBondContact O-CG 3.2Å; G505-M509 PolarHBondContact O-N 3.23Å
506	M	80.5	Confident	68.3	Low	7 Å²	7	40.2 Å²	40.2	3%	0.034	20%	0.204	C	C	.	.	H	α-helix	trans	-66.6	-40.8	177.3	-66.6	-56.3	-31.7	0	0	112.8	Y321 E503 P504 M509 A510 F541	Y321-M506 VanDerWaalsContact CB-SD 3.51Å; Y321-M506 HydrophobicContact CD1-CG 3.91Å; Y321-M506 HydrophobicContact CD1-SD 3.28Å; Y321-M506 WeakPolarHBondContact CD1-SD 3.3Å; Y321-M506 HydrophobicContact CD2-CE 4.43Å; Y321-M506 HydrophobicContact CD2-SD 3.41Å; Y321-M506 WeakPolarHBondContact CD2-SD 3.5Å; Y321-M506 HydrophobicContact CE1-CG 4.04Å; Y321-M506 HydrophobicContact CE1-SD 3.66Å; Y321-M506 HydrophobicContact CE2-SD 3.83Å; Y321-M506 HydrophobicContact CG-CG 4.32Å; Y321-M506 HydrophobicContact CG-SD 3.1Å; E503-M506 HydrophobicContact CB-CG 4.07Å; E503-M506 WeakPolarHBondContact O-CB 3.47Å; E503-M506 PolarHBondContact O-N 3.35Å; P504-M506 PolarHBondContact O-N 3.42Å; M506-M509 WeakPolarHBondContact O-CB 3.15Å; M506-M509 PolarHBondContact O-N 3.38Å; M506-A510 PolarHBondContact O-N 3.39Å; M506-F541 HydrophobicContact CE-CB 4.43Å; M506-F541 HydrophobicContact CE-CD1 3.3Å; M506-F541 HydrophobicContact CE-CD2 3.43Å; M506-F541 VanDerWaalsContact CE-CD2 3.43Å; M506-F541 HydrophobicContact CE-CE1 3.16Å; M506-F541 HydrophobicContact CE-CE2 3.28Å; M506-F541 HydrophobicContact CE-CG 3.41Å; M506-F541 VanDerWaalsContact CE-CG 3.41Å; M506-F541 HydrophobicContact CE-CZ 3.14Å; M506-F541 HydrophobicContact CG-CE1 4.41Å; M506-F541 HydrophobicContact CG-CZ 4.4Å; M506-F541 HydrophobicContact SD-CD2 4.5Å; M506-F541 HydrophobicContact SD-CE1 3.86Å; M506-F541 HydrophobicContact SD-CE2 3.79Å; M506-F541 HydrophobicContact SD-CZ 3.42Å; M506-F541 WeakPolarHBondContact SD-CZ 3.19Å
507	Y	84.5	Confident	67.7	Low	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-69.5	-36.2	175.7	-73.7	-91.4	0	0	0	112	E329 P332 F333 L336 G471 V474 M478 V502 P504 M509 K511	E329-Y507 WeakPolarHBondContact CG-OH 3.3Å; P332-Y507 HydrophobicContact CB-CE1 3.98Å; P332-Y507 HydrophobicContact CG-CE1 3.88Å; F333-Y507 HydrophobicContact CD1-CD1 4.16Å; F333-Y507 HydrophobicContact CD1-CE1 4.24Å; F333-Y507 AromaticContact CE1-CD1 3.65Å; F333-Y507 HydrophobicContact CE1-CD1 3.65Å; F333-Y507 AromaticContact CE1-CE1 3.85Å; F333-Y507 HydrophobicContact CE1-CE1 3.85Å; F333-Y507 HydrophobicContact CE1-CG 4.18Å; F333-Y507 HydrophobicContact CE2-CE1 4.45Å; F333-Y507 HydrophobicContact CZ-CD1 4.12Å; F333-Y507 AromaticContact CZ-CE1 3.96Å; F333-Y507 HydrophobicContact CZ-CE1 3.96Å; L336-Y507 HydrophobicContact CD1-CD1 3.81Å; G471-Y507 VanDerWaalsContact CA-O 3.25Å; G471-Y507 WeakPolarHBondContact CA-O 3.07Å; G471-Y507 VanDerWaalsContact O-CB 3.25Å; G471-Y507 WeakPolarHBondContact O-CB 3.36Å; V474-Y507 HydrophobicContact CG1-CD1 4.4Å; M478-Y507 HydrophobicContact CB-CE2 4.29Å; M478-Y507 HydrophobicContact CG-CE1 4.16Å; V502-Y507 HydrophobicContact CG1-CD2 4.2Å; V502-Y507 HydrophobicContact CG1-CE2 3.58Å; P504-Y507 PolarHBondContact O-N 3.44Å; Y507-M509 VanDerWaalsContact C-N 3.28Å; Y507-M509 PolarHBondContact O-N 3.26Å; Y507-K511 WeakPolarHBondContact O-CB 3.46Å; Y507-K511 PolarHBondContact O-N 2.98Å; Y507-K511 VanDerWaalsContact O-N 3.08Å
508	A	83.4	Confident	67.5	Low	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-56.7	-47.7	171	0	0	0	0	0	109.7	F400 R472 P504 G505 K511 I512	F400-A508 HydrophobicContact CD1-CB 3.88Å; F400-A508 HydrophobicContact CE1-CB 4.1Å; R472-A508 HydrophobicContact CB-CB 3.98Å; P504-A508 PolarHBondContact O-N 2.89Å; P504-A508 VanDerWaalsContact O-N 3.14Å; G505-A508 WeakPolarHBondContact O-CB 3.46Å; G505-A508 PolarHBondContact O-N 3.47Å; A508-K511 PolarHBondContact O-N 3.13Å; A508-I512 WeakPolarHBondContact O-CG1 3.14Å; A508-I512 PolarHBondContact O-N 3.29Å
509	M	76.9	Confident	67.2	Low	5 Å²	5	19.5 Å²	19.5	3%	0.025	10%	0.096	C	C	.	.	H	α-helix	trans	-61.6	-53.7	177.2	-74	-173.7	159.9	0	0	113.9	V319 Y321 F400 G505 M506 Y507 K511 I512 T536	V319-M509 HydrophobicContact CB-CE 3.71Å; V319-M509 HydrophobicContact CG2-CE 4.22Å; Y321-M509 HydrophobicContact CD2-CE 4.43Å; Y321-M509 HydrophobicContact CD2-SD 4.01Å; Y321-M509 HydrophobicContact CE2-CE 3.53Å; Y321-M509 HydrophobicContact CE2-SD 3.29Å; Y321-M509 WeakPolarHBondContact CE2-SD 3.24Å; F400-M509 HydrophobicContact CB-CE 3.97Å; F400-M509 HydrophobicContact CD1-CG 3.73Å; F400-M509 HydrophobicContact CD2-CE 3.71Å; F400-M509 HydrophobicContact CD2-CG 4.23Å; F400-M509 HydrophobicContact CE1-CG 4.05Å; F400-M509 HydrophobicContact CE2-CE 4.48Å; F400-M509 HydrophobicContact CE2-CG 4.49Å; F400-M509 HydrophobicContact CG-CE 3.83Å; F400-M509 HydrophobicContact CG-CG 3.91Å; F400-M509 HydrophobicContact CZ-CG 4.48Å; G505-M509 WeakPolarHBondContact O-CG 3.2Å; G505-M509 PolarHBondContact O-N 3.23Å; M506-M509 WeakPolarHBondContact O-CB 3.15Å; M506-M509 PolarHBondContact O-N 3.38Å; Y507-M509 VanDerWaalsContact C-N 3.28Å; Y507-M509 PolarHBondContact O-N 3.26Å; M509-K511 PolarHBondContact O-N 2.85Å; M509-K511 VanDerWaalsContact O-N 3.17Å; M509-I512 HydrophobicContact CB-CD1 4.36Å; M509-I512 HydrophobicContact CG-CD1 4.43Å; M509-I512 VanDerWaalsContact O-CB 3.25Å; M509-I512 WeakPolarHBondContact O-CB 3.14Å; M509-I512 VanDerWaalsContact O-CD1 3.29Å; M509-I512 WeakPolarHBondContact O-CD1 2.8Å; M509-I512 VanDerWaalsContact O-CG1 3.3Å; M509-I512 WeakPolarHBondContact O-CG1 3Å; M509-I512 PolarHBondContact O-N 2.81Å; M509-I512 VanDerWaalsContact O-N 3.11Å; M509-T536 HydrophobicContact CE-CG2 3.85Å; M509-T536 HydrophobicContact CG-CG2 4.5Å; M509-T536 HydrophobicContact SD-CG2 3.54Å; M509-T536 VanDerWaalsContact SD-CG2 3.54Å
510	A	69.8	Low	66.7	Low	6 Å²	6	11.4 Å²	11.4	5%	0.05	7%	0.065	C	C	.	.	H	α-helix	trans	-63.3	-26.7	-177.4	0	0	0	0	0	113.6	F333 M506 T545	F333-A510 HydrophobicContact CD1-CB 3.55Å; F333-A510 HydrophobicContact CE1-CB 3.28Å; F333-A510 HydrophobicContact CZ-CB 4.27Å; M506-A510 PolarHBondContact O-N 3.39Å; A510-T545 HydrophobicContact CB-CG2 4.2Å
511	K	66.2	Low	66	Low	32 Å²	32	7.8 Å²	7.8	14%	0.139	4%	0.043	C	C	.	.	H	α-helix	trans	-85.4	-16.6	178.3	-170.1	152	151.3	-174.5	0	113.9	L336 G467 G470 Y507 A508 M509 D513 L514	L336-K511 HydrophobicContact CB-CD 4.21Å; L336-K511 HydrophobicContact CD1-CB 4.45Å; L336-K511 HydrophobicContact CD1-CD 4.1Å; L336-K511 HydrophobicContact CD2-CD 3.48Å; L336-K511 VanDerWaalsContact CD2-CD 3.48Å; L336-K511 HydrophobicContact CG-CD 4.14Å; G467-K511 WeakPolarHBondContact O-CB 3.4Å; G467-K511 VanDerWaalsContact O-CG 3.25Å; G467-K511 WeakPolarHBondContact O-CG 3.43Å; G470-K511 PolarHBondContact O-NZ 3.03Å; Y507-K511 WeakPolarHBondContact O-CB 3.46Å; Y507-K511 PolarHBondContact O-N 2.98Å; Y507-K511 VanDerWaalsContact O-N 3.08Å; A508-K511 PolarHBondContact O-N 3.13Å; M509-K511 PolarHBondContact O-N 2.85Å; M509-K511 VanDerWaalsContact O-N 3.17Å; K511-D513 PolarHBondContact O-N 2.87Å; K511-L514 HydrophobicContact CG-CB 4.27Å; K511-L514 HydrophobicContact CG-CD2 4.27Å; K511-L514 WeakPolarHBondContact O-CB 3.44Å; K511-L514 PolarHBondContact O-N 2.93Å; K511-L514 VanDerWaalsContact O-N 3.09Å
512	I	57.9	Low	64.9	Low	4 Å²	4	8.4 Å²	8.4	2%	0.021	4%	0.04	C	C	.	.	H	α-helix	trans	-51.5	-43.1	168.6	-60.5	160.5	0	0	0	109.7	F400 L464 A468 A508 M509 L514 M532	F400-I512 HydrophobicContact CE1-CD1 3.5Å; F400-I512 HydrophobicContact CE1-CG1 3.74Å; F400-I512 HydrophobicContact CE2-CD1 3.65Å; F400-I512 HydrophobicContact CZ-CD1 2.95Å; F400-I512 HydrophobicContact CZ-CG1 3.47Å; F400-I512 VanDerWaalsContact CZ-CG1 3.47Å; L464-I512 HydrophobicContact CB-CG2 3.73Å; L464-I512 HydrophobicContact CD1-CG2 4.43Å; L464-I512 HydrophobicContact CD2-CG2 3.06Å; L464-I512 HydrophobicContact CG-CG2 3.82Å; A468-I512 HydrophobicContact CB-CG1 4.23Å; A508-I512 WeakPolarHBondContact O-CG1 3.14Å; A508-I512 PolarHBondContact O-N 3.29Å; M509-I512 HydrophobicContact CB-CD1 4.36Å; M509-I512 HydrophobicContact CG-CD1 4.43Å; M509-I512 VanDerWaalsContact O-CB 3.25Å; M509-I512 WeakPolarHBondContact O-CB 3.14Å; M509-I512 VanDerWaalsContact O-CD1 3.29Å; M509-I512 WeakPolarHBondContact O-CD1 2.8Å; M509-I512 VanDerWaalsContact O-CG1 3.3Å; M509-I512 WeakPolarHBondContact O-CG1 3Å; M509-I512 PolarHBondContact O-N 2.81Å; M509-I512 VanDerWaalsContact O-N 3.11Å; I512-L514 PolarHBondContact O-N 3.4Å; I512-L514 VanDerWaalsContact O-N 3.09Å; I512-M532 HydrophobicContact CB-CE 3.57Å; I512-M532 HydrophobicContact CD1-CE 3.36Å; I512-M532 HydrophobicContact CD1-SD 3.57Å; I512-M532 VanDerWaalsContact CD1-SD 3.57Å; I512-M532 HydrophobicContact CG1-CE 4.15Å; I512-M532 HydrophobicContact CG2-CE 3.33Å
513	D	55.3	Low	63.5	Low	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-63.3	-20.8	-175.1	-74.5	-22.5	0	0	0	113.5	K511 T517 L528 M532 T545 V549	K511-D513 PolarHBondContact O-N 2.87Å; D513-T517 PolarHBondContact O-N 2.93Å; D513-T517 PolarHBondContact O-OG1 3.5Å; D513-L528 HydrophobicContact CB-CD2 3.5Å; D513-L528 VanDerWaalsContact CB-CD2 3.5Å; D513-L528 WeakPolarHBondContact O-CD2 3.29Å; D513-L528 WeakPolarHBondContact OD1-CD2 3.37Å; D513-M532 VanDerWaalsContact OD1-CB 3.25Å; D513-M532 WeakPolarHBondContact OD1-CB 3.14Å; D513-M532 WeakPolarHBondContact OD1-CE 3.19Å; D513-M532 WeakPolarHBondContact OD1-CG 3.35Å; D513-M532 WeakPolarHBondContact OD2-CG 3.31Å; D513-T545 VanDerWaalsContact OD2-CB 3.23Å; D513-T545 WeakPolarHBondContact OD2-CB 3.27Å; D513-T545 WeakPolarHBondContact OD2-CG2 3.48Å; D513-V549 HydrophobicContact CB-CG2 3.57Å
514	L	54.9	Low	62.4	Low	0 Å²	0	12 Å²	12	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-98.3	-42.9	-158	-168.5	77.4	0	0	0	115.2	L336 G337 K511 I512 F516 T517 A548 A552	L336-L514 HydrophobicContact CB-CD2 4.36Å; L336-L514 WeakPolarHBondContact O-CD2 3.49Å; G337-L514 VanDerWaalsContact CA-CD1 3.42Å; G337-L514 VanDerWaalsContact N-CD2 3.33Å; K511-L514 HydrophobicContact CG-CB 4.27Å; K511-L514 HydrophobicContact CG-CD2 4.27Å; K511-L514 WeakPolarHBondContact O-CB 3.44Å; K511-L514 PolarHBondContact O-N 2.93Å; K511-L514 VanDerWaalsContact O-N 3.09Å; I512-L514 PolarHBondContact O-N 3.4Å; I512-L514 VanDerWaalsContact O-N 3.09Å; L514-F516 PolarHBondContact O-N 3.45Å; L514-T517 VanDerWaalsContact C-OG1 3.25Å; L514-T517 VanDerWaalsContact CA-OG1 3.32Å; L514-T517 WeakPolarHBondContact CA-OG1 3.47Å; L514-T517 PolarHBondContact O-N 3.46Å; L514-T517 PolarHBondContact O-OG1 3.3Å; L514-A548 HydrophobicContact CD1-CB 3.93Å; L514-A548 WeakPolarHBondContact CD1-O 3.1Å; L514-A552 HydrophobicContact CD1-CB 3.18Å; L514-A552 HydrophobicContact CG-CB 3.67Å
515	L	54.5	Low	61.7	Low	10 Å²	10	13.8 Å²	13.8	5%	0.052	6%	0.064	C	C	.	.	H	α-helix	trans	-67.7	-29.9	172.2	-168.2	71.3	0	0	0	109.9	V343 S463 I466 T517 L518	V343-L515 HydrophobicContact CB-CD1 4.25Å; V343-L515 HydrophobicContact CG1-CD1 3.95Å; S463-L515 WeakPolarHBondContact O-CD2 2.96Å; I466-L515 HydrophobicContact CB-CD2 3.47Å; I466-L515 VanDerWaalsContact CB-CD2 3.47Å; I466-L515 HydrophobicContact CD1-CD2 4.31Å; I466-L515 HydrophobicContact CG2-CD2 3.37Å; L515-T517 VanDerWaalsContact C-N 3.32Å; L515-T517 PolarHBondContact O-N 3.16Å; L515-L518 PolarHBondContact O-N 2.81Å
516	F	52	Low	61.7	Low	5 Å²	5	17.9 Å²	17.9	2%	0.022	9%	0.089	C	C	.	.	H	α-helix	trans	-60.4	-41.4	176.2	-159.2	-73.1	0	0	0	112.6	F460 L464 L514 L518 L519 E520 F524 L528	F460-F516 HydrophobicContact CB-CE2 4.1Å; F460-F516 HydrophobicContact CD1-CE1 4.47Å; F460-F516 AromaticContact CD1-CE2 3.28Å; F460-F516 HydrophobicContact CD1-CE2 3.28Å; F460-F516 AromaticContact CD1-CZ 3.19Å; F460-F516 HydrophobicContact CD1-CZ 3.19Å; F460-F516 HydrophobicContact CE1-CE1 4.4Å; F460-F516 AromaticContact CE1-CE2 3.99Å; F460-F516 HydrophobicContact CE1-CE2 3.99Å; F460-F516 AromaticContact CE1-CZ 3.38Å; F460-F516 HydrophobicContact CE1-CZ 3.38Å; F460-F516 AromaticContact CG-CE2 3.98Å; F460-F516 HydrophobicContact CG-CE2 3.98Å; F460-F516 HydrophobicContact CG-CZ 4.21Å; F460-F516 HydrophobicContact CZ-CZ 4.49Å; L464-F516 HydrophobicContact CD2-CD2 3.52Å; L464-F516 HydrophobicContact CD2-CE2 4.01Å; L464-F516 HydrophobicContact CD2-CG 4.47Å; L464-F516 HydrophobicContact CG-CD2 4.43Å; L514-F516 PolarHBondContact O-N 3.45Å; F516-L518 PolarHBondContact O-N 3.43Å; F516-L519 PolarHBondContact O-N 3.06Å; F516-L519 VanDerWaalsContact O-N 3.12Å; F516-E520 HydrophobicContact CD1-CB 4.41Å; F516-E520 HydrophobicContact CD1-CG 3.97Å; F516-E520 HydrophobicContact CE1-CB 4.04Å; F516-E520 HydrophobicContact CE1-CG 3.46Å; F516-E520 VanDerWaalsContact CE1-CG 3.46Å; F516-E520 WeakPolarHBondContact CE1-OE2 3.27Å; F516-E520 HydrophobicContact CZ-CG 4.04Å; F516-E520 WeakPolarHBondContact CZ-OE1 3.33Å; F516-E520 VanDerWaalsContact CZ-OE2 3.3Å; F516-E520 WeakPolarHBondContact CZ-OE2 3.48Å; F516-E520 PolarHBondContact O-N 3.26Å; F516-F524 AromaticContact CD1-CD1 3.66Å; F516-F524 HydrophobicContact CD1-CD1 3.66Å; F516-F524 AromaticContact CD1-CE1 3.63Å; F516-F524 HydrophobicContact CD1-CE1 3.63Å; F516-F524 AromaticContact CE1-CD1 3.15Å; F516-F524 HydrophobicContact CE1-CD1 3.15Å; F516-F524 AromaticContact CE1-CE1 2.9Å; F516-F524 HydrophobicContact CE1-CE1 2.9Å; F516-F524 HydrophobicContact CE1-CG 4.27Å; F516-F524 AromaticContact CE1-CZ 3.9Å; F516-F524 HydrophobicContact CE1-CZ 3.9Å; F516-F524 HydrophobicContact CZ-CD1 4.16Å; F516-F524 AromaticContact CZ-CE1 3.51Å; F516-F524 HydrophobicContact CZ-CE1 3.51Å; F516-F524 HydrophobicContact CZ-CZ 4.13Å; F516-L528 HydrophobicContact CB-CD1 3.42Å; F516-L528 VanDerWaalsContact CB-CD1 3.42Å; F516-L528 HydrophobicContact CD1-CD1 3Å; F516-L528 HydrophobicContact CD1-CG 4.41Å; F516-L528 HydrophobicContact CD2-CD1 3.98Å; F516-L528 HydrophobicContact CE1-CD1 3.64Å; F516-L528 HydrophobicContact CE2-CD1 4.46Å; F516-L528 HydrophobicContact CG-CD1 3.15Å; F516-L528 HydrophobicContact CZ-CD1 4.26Å
517	T	51.4	Low	61.9	Low	14 Å²	14	17.6 Å²	17.6	9%	0.086	9%	0.088	C	C	.	.	H	α-helix	trans	-55.8	-19.3	-179.3	6.6	0	0	0	0	115.9	D513 L514 L515 L525 V549 A552	D513-T517 PolarHBondContact O-N 2.93Å; D513-T517 PolarHBondContact O-OG1 3.5Å; L514-T517 VanDerWaalsContact C-OG1 3.25Å; L514-T517 VanDerWaalsContact CA-OG1 3.32Å; L514-T517 WeakPolarHBondContact CA-OG1 3.47Å; L514-T517 PolarHBondContact O-N 3.46Å; L514-T517 PolarHBondContact O-OG1 3.3Å; L515-T517 VanDerWaalsContact C-N 3.32Å; L515-T517 PolarHBondContact O-N 3.16Å; T517-L525 HydrophobicContact CG2-CD2 3.14Å; T517-V549 HydrophobicContact CG2-CB 4.23Å; T517-V549 HydrophobicContact CG2-CG1 3.58Å; T517-V549 HydrophobicContact CG2-CG2 4.46Å; T517-A552 WeakPolarHBondContact OG1-CB 3.25Å
518	L	49.8	Very low	61.6	Low	9 Å²	9	17.9 Å²	17.9	5%	0.047	9%	0.089	C	C	.	.	H	α-helix	trans	-101.4	-30.7	178.9	-63.2	-158.8	0	0	0	114.3	G341 G344 I348 L515 F516 E520 A552	G341-L518 WeakPolarHBondContact O-CD1 3.1Å; G344-L518 VanDerWaalsContact CA-CD1 3.48Å; I348-L518 HydrophobicContact CD1-CB 4.17Å; I348-L518 WeakPolarHBondContact CD1-O 3.37Å; L515-L518 PolarHBondContact O-N 2.81Å; F516-L518 PolarHBondContact O-N 3.43Å; L518-E520 PolarHBondContact O-N 2.89Å; L518-A552 WeakPolarHBondContact CD2-O 3.43Å
519	L	53.5	Low	61.6	Low	2 Å²	2	18.5 Å²	18.5	1%	0.01	9%	0.093	C	C	.	.	H	α-helix	trans	-68.2	-24.8	177.5	-59.7	178.6	0	0	0	110.2	F347 I348 L459 F516 I564	F347-L519 HydrophobicContact CD1-CD2 3.22Å; F347-L519 HydrophobicContact CE1-CD2 3.59Å; F347-L519 HydrophobicContact CG-CD2 4.15Å; I348-L519 HydrophobicContact CG1-CD2 4.07Å; L459-L519 HydrophobicContact CD2-CB 4.22Å; L459-L519 HydrophobicContact CD2-CD1 3.9Å; L459-L519 HydrophobicContact CD2-CD2 4.2Å; L459-L519 HydrophobicContact CD2-CG 4.34Å; L459-L519 HydrophobicContact CG-CD1 4.03Å; F516-L519 PolarHBondContact O-N 3.06Å; F516-L519 VanDerWaalsContact O-N 3.12Å; L519-I564 HydrophobicContact CB-CG2 4.34Å; L519-I564 HydrophobicContact CD2-CD1 4.25Å; L519-I564 WeakPolarHBondContact O-CA 3.5Å; L519-I564 WeakPolarHBondContact O-CB 3.3Å; L519-I564 WeakPolarHBondContact O-CG2 3.29Å; L519-I564 PolarHBondContact O-N 3.26Å
520	E	51.7	Low	62.1	Low	6 Å²	6	19.8 Å²	19.8	3%	0.028	10%	0.101	C	C	.	.	S	Bend	trans	-113.9	156.9	-174.3	-50.5	-152.2	166.5	0	0	111.7	F460 F516 L518 F524 Y565	F460-E520 WeakPolarHBondContact CD1-OE1 3.26Å; F460-E520 WeakPolarHBondContact CE1-OE1 3.5Å; F460-E520 WeakPolarHBondContact CZ-OE1 3.31Å; F516-E520 HydrophobicContact CD1-CB 4.41Å; F516-E520 HydrophobicContact CD1-CG 3.97Å; F516-E520 HydrophobicContact CE1-CB 4.04Å; F516-E520 HydrophobicContact CE1-CG 3.46Å; F516-E520 VanDerWaalsContact CE1-CG 3.46Å; F516-E520 WeakPolarHBondContact CE1-OE2 3.27Å; F516-E520 HydrophobicContact CZ-CG 4.04Å; F516-E520 WeakPolarHBondContact CZ-OE1 3.33Å; F516-E520 VanDerWaalsContact CZ-OE2 3.3Å; F516-E520 WeakPolarHBondContact CZ-OE2 3.48Å; F516-E520 PolarHBondContact O-N 3.26Å; L518-E520 PolarHBondContact O-N 2.89Å; E520-F524 HydrophobicContact CB-CB 4.36Å; E520-F524 HydrophobicContact CB-CD1 4.48Å; E520-Y565 HydrophobicContact CB-CE2 4.46Å; E520-Y565 VanDerWaalsContact CD-CE2 3.49Å; E520-Y565 HydrophobicContact CG-CD2 4.38Å; E520-Y565 HydrophobicContact CG-CE2 3.77Å; E520-Y565 VanDerWaalsContact OE1-CE2 3.31Å; E520-Y565 WeakPolarHBondContact OE1-CE2 3.38Å; E520-Y565 PolarHBondContact OE1-OH 3.48Å; E520-Y565 VanDerWaalsContact OE1-OH 3.05Å
521	D	51.5	Low	62.8	Low	6 Å²	6	20 Å²	20	3%	0.032	10%	0.101	C	C	.	.			trans	-68.1	167.5	-165.2	-58.5	-47.7	0	0	0	112.3	K185 F523 F524 G563 D566	K185-D521 VanDerWaalsContact NZ-CG 3.32Å; K185-D521 IonicContact NZ-OD2 2.66Å; K185-D521 PolarHBondContact NZ-OD2 2.6Å; D521-F523 PolarHBondContact O-N 2.85Å; D521-F524 PolarHBondContact O-N 3.4Å; D521-G563 VanDerWaalsContact OD1-CA 3.3Å; D521-G563 WeakPolarHBondContact OD1-CA 3.1Å; D521-D566 WeakPolarHBondContact OD1-CB 3.45Å; D521-D566 PolarHBondContact OD1-N 3.24Å
522	R	49	Very low	63.3	Low	50 Å²	50	19 Å²	19	19%	0.189	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.9	-10.1	-165.2	-75.9	-176.8	-74.2	-108.4	-2.6	118.3	K553 R561 D578 E581	R522-K553 VanDerWaalsContact CA-NZ 3.31Å; R522-K553 WeakPolarHBondContact O-CE 3.23Å; R522-K553 PolarHBondContact O-NZ 3.12Å; R522-R561 PolarHBondContact NH1-O 3.48Å; R522-R561 VanDerWaalsContact NH1-O 3.14Å; R522-D578 IonicContact CZ-OD2 2.67Å; R522-D578 IonicContact NH2-OD2 2.67Å; R522-D578 PolarHBondContact NH2-OD2 3.37Å; R522-E581 IonicContact CZ-OE1 3.25Å; R522-E581 IonicContact NH1-OE1 2.65Å; R522-E581 PolarHBondContact NH1-OE1 3.11Å; R522-E581 IonicContact NH2-OE1 3.18Å; R522-E581 PolarHBondContact NH2-OE1 3.29Å
523	F	49.7	Very low	64.5	Low	91 Å²	91	21.4 Å²	21.4	40%	0.399	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127	-3.9	-166.3	-63.3	-90.1	0	0	0	115.4	E278 D521 L525 K580	E278-F523 VanDerWaalsContact OE2-O 3.06Å; D521-F523 PolarHBondContact O-N 2.85Å; F523-L525 PolarHBondContact O-N 2.85Å; F523-K580 HydrophobicContact CD2-CB 4.32Å; F523-K580 HydrophobicContact CD2-CD 3.32Å; F523-K580 HydrophobicContact CD2-CG 3.93Å; F523-K580 HydrophobicContact CE2-CB 3.4Å; F523-K580 VanDerWaalsContact CE2-CB 3.4Å; F523-K580 HydrophobicContact CE2-CD 3.32Å; F523-K580 HydrophobicContact CE2-CG 3.41Å; F523-K580 VanDerWaalsContact CE2-CG 3.41Å; F523-K580 HydrophobicContact CG-CD 4.14Å; F523-K580 HydrophobicContact CZ-CB 3.76Å; F523-K580 HydrophobicContact CZ-CD 4.13Å; F523-K580 HydrophobicContact CZ-CG 3.77Å
524	F	56.7	Low	65.9	Low	6 Å²	6	23.8 Å²	23.8	3%	0.026	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	7.6	-176.4	-171.6	-106.2	0	0	0	114.9	F275 E278 F516 E520 D521 V526 S527 L528 I531	F275-F524 HydrophobicContact CB-CE2 3.82Å; F275-F524 AromaticContact CD2-CD2 3.31Å; F275-F524 HydrophobicContact CD2-CD2 3.31Å; F275-F524 AromaticContact CD2-CE2 2.99Å; F275-F524 HydrophobicContact CD2-CE2 2.99Å; F275-F524 AromaticContact CD2-CZ 3.98Å; F275-F524 HydrophobicContact CD2-CZ 3.98Å; F275-F524 AromaticContact CE2-CD2 3.83Å; F275-F524 HydrophobicContact CE2-CD2 3.83Å; F275-F524 AromaticContact CE2-CE2 3.68Å; F275-F524 HydrophobicContact CE2-CE2 3.68Å; F275-F524 HydrophobicContact CE2-CZ 4.43Å; F275-F524 HydrophobicContact CG-CD2 4.38Å; F275-F524 AromaticContact CG-CE2 3.77Å; F275-F524 HydrophobicContact CG-CE2 3.77Å; E278-F524 WeakPolarHBondContact OE2-CA 3.46Å; F516-F524 AromaticContact CD1-CD1 3.66Å; F516-F524 HydrophobicContact CD1-CD1 3.66Å; F516-F524 AromaticContact CD1-CE1 3.63Å; F516-F524 HydrophobicContact CD1-CE1 3.63Å; F516-F524 AromaticContact CE1-CD1 3.15Å; F516-F524 HydrophobicContact CE1-CD1 3.15Å; F516-F524 AromaticContact CE1-CE1 2.9Å; F516-F524 HydrophobicContact CE1-CE1 2.9Å; F516-F524 HydrophobicContact CE1-CG 4.27Å; F516-F524 AromaticContact CE1-CZ 3.9Å; F516-F524 HydrophobicContact CE1-CZ 3.9Å; F516-F524 HydrophobicContact CZ-CD1 4.16Å; F516-F524 AromaticContact CZ-CE1 3.51Å; F516-F524 HydrophobicContact CZ-CE1 3.51Å; F516-F524 HydrophobicContact CZ-CZ 4.13Å; E520-F524 HydrophobicContact CB-CB 4.36Å; E520-F524 HydrophobicContact CB-CD1 4.48Å; D521-F524 PolarHBondContact O-N 3.4Å; F524-V526 PolarHBondContact O-N 3.32Å; F524-S527 WeakPolarHBondContact CD2-OG 3.47Å; F524-S527 WeakPolarHBondContact CE2-OG 3.39Å; F524-S527 PolarHBondContact O-OG 3.24Å; F524-L528 HydrophobicContact CD1-CB 3.62Å; F524-L528 HydrophobicContact CD1-CD1 4.06Å; F524-L528 HydrophobicContact CD1-CG 4.45Å; F524-L528 HydrophobicContact CE1-CB 3.35Å; F524-L528 HydrophobicContact CE1-CD1 3.65Å; F524-L528 HydrophobicContact CE1-CG 4.04Å; F524-L528 HydrophobicContact CZ-CB 4.14Å; F524-L528 VanDerWaalsContact O-CB 3.27Å; F524-L528 WeakPolarHBondContact O-CB 2.82Å; F524-L528 PolarHBondContact O-N 3.47Å; F524-L528 VanDerWaalsContact O-N 3.09Å; F524-I531 HydrophobicContact CE2-CD1 4.46Å; F524-I531 HydrophobicContact CZ-CD1 3.77Å
525	L	66.7	Low	66.9	Low	37 Å²	37	24.1 Å²	24.1	19%	0.194	12%	0.121	C	C	.	.	H	α-helix	trans	-61.9	-42.3	-172	-56.3	-177.2	0	0	0	113	T517 F523 V529 V549 K553	T517-L525 HydrophobicContact CG2-CD2 3.14Å; F523-L525 PolarHBondContact O-N 2.85Å; L525-V529 VanDerWaalsContact O-CG2 3.26Å; L525-V529 WeakPolarHBondContact O-CG2 3.48Å; L525-V529 PolarHBondContact O-N 2.85Å; L525-V549 HydrophobicContact CB-CG1 3.84Å; L525-V549 HydrophobicContact CD2-CG1 3.4Å; L525-V549 VanDerWaalsContact CD2-CG1 3.4Å; L525-V549 HydrophobicContact CG-CG1 4.09Å; L525-K553 HydrophobicContact CD1-CD 3.49Å; L525-K553 VanDerWaalsContact CD1-CD 3.49Å; L525-K553 HydrophobicContact CD2-CB 3.96Å; L525-K553 HydrophobicContact CD2-CD 3.79Å; L525-K553 HydrophobicContact CD2-CG 4.33Å; L525-K553 HydrophobicContact CG-CD 3.92Å
526	V	80.3	Confident	67.8	Low	86 Å²	86	24.2 Å²	24.2	52%	0.521	12%	0.122	S	C	.	.	H	α-helix	trans	-79.4	-45.3	-171.2	179.1	0	0	0	0	110	L274 E278 F524 L528 V529 V530	L274-V526 HydrophobicContact CD1-CG1 4.49Å; E278-V526 WeakPolarHBondContact OE1-CB 3.15Å; F524-V526 PolarHBondContact O-N 3.32Å; V526-L528 VanDerWaalsContact C-N 3.34Å; V526-L528 PolarHBondContact O-N 3.06Å; V526-V529 PolarHBondContact O-N 2.89Å; V526-V530 WeakPolarHBondContact O-CG2 3.39Å; V526-V530 PolarHBondContact O-N 3.45Å
527	S	84	Confident	69	Low	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.7	-39.4	176	47.6	0	0	0	0	113	E278 F524 V530 I531	E278-S527 PolarHBondContact OE1-N 3.27Å; E278-S527 VanDerWaalsContact OE2-CB 3.29Å; E278-S527 WeakPolarHBondContact OE2-CB 3.27Å; E278-S527 PolarHBondContact OE2-N 2.84Å; E278-S527 VanDerWaalsContact OE2-N 3.14Å; E278-S527 PolarHBondContact OE2-OG 2.75Å; F524-S527 WeakPolarHBondContact CD2-OG 3.47Å; F524-S527 WeakPolarHBondContact CE2-OG 3.39Å; F524-S527 PolarHBondContact O-OG 3.24Å; S527-V530 PolarHBondContact O-N 2.71Å; S527-I531 VanDerWaalsContact O-CG1 3.27Å; S527-I531 WeakPolarHBondContact O-CG1 3.33Å; S527-I531 PolarHBondContact O-N 3.14Å
528	L	79	Confident	70.1	Confident	7 Å²	7	27.1 Å²	27.1	4%	0.037	15%	0.152	C	C	.	.	H	α-helix	trans	-58.2	-52.5	173.4	-179.9	116.9	0	0	0	112.7	D513 F516 F524 V526 V530 I531 M532 V549	D513-L528 HydrophobicContact CB-CD2 3.5Å; D513-L528 VanDerWaalsContact CB-CD2 3.5Å; D513-L528 WeakPolarHBondContact O-CD2 3.29Å; D513-L528 WeakPolarHBondContact OD1-CD2 3.37Å; F516-L528 HydrophobicContact CB-CD1 3.42Å; F516-L528 VanDerWaalsContact CB-CD1 3.42Å; F516-L528 HydrophobicContact CD1-CD1 3Å; F516-L528 HydrophobicContact CD1-CG 4.41Å; F516-L528 HydrophobicContact CD2-CD1 3.98Å; F516-L528 HydrophobicContact CE1-CD1 3.64Å; F516-L528 HydrophobicContact CE2-CD1 4.46Å; F516-L528 HydrophobicContact CG-CD1 3.15Å; F516-L528 HydrophobicContact CZ-CD1 4.26Å; F524-L528 HydrophobicContact CD1-CB 3.62Å; F524-L528 HydrophobicContact CD1-CD1 4.06Å; F524-L528 HydrophobicContact CD1-CG 4.45Å; F524-L528 HydrophobicContact CE1-CB 3.35Å; F524-L528 HydrophobicContact CE1-CD1 3.65Å; F524-L528 HydrophobicContact CE1-CG 4.04Å; F524-L528 HydrophobicContact CZ-CB 4.14Å; F524-L528 VanDerWaalsContact O-CB 3.27Å; F524-L528 WeakPolarHBondContact O-CB 2.82Å; F524-L528 PolarHBondContact O-N 3.47Å; F524-L528 VanDerWaalsContact O-N 3.09Å; V526-L528 VanDerWaalsContact C-N 3.34Å; V526-L528 PolarHBondContact O-N 3.06Å; L528-V530 PolarHBondContact O-N 3.45Å; L528-I531 WeakPolarHBondContact O-CB 3.28Å; L528-I531 PolarHBondContact O-N 3.41Å; L528-M532 PolarHBondContact O-N 3.46Å; L528-V549 HydrophobicContact CD2-CG2 3.62Å
529	V	83	Confident	71.6	Confident	13 Å²	13	32.1 Å²	32.1	8%	0.079	18%	0.178	C	C	.	.	H	α-helix	trans	-58.8	-38	-179.3	170.6	0	0	0	0	110.2	L525 V526 M532 F533 I542 M546 V549	L525-V529 VanDerWaalsContact O-CG2 3.26Å; L525-V529 WeakPolarHBondContact O-CG2 3.48Å; L525-V529 PolarHBondContact O-N 2.85Å; V526-V529 PolarHBondContact O-N 2.89Å; V529-M532 PolarHBondContact O-N 3.31Å; V529-F533 WeakPolarHBondContact O-CB 3.27Å; V529-F533 PolarHBondContact O-N 3.05Å; V529-I542 HydrophobicContact CG1-CG2 4.34Å; V529-M546 HydrophobicContact CG1-CG 3.82Å; V529-M546 HydrophobicContact CG2-CG 4.06Å; V529-V549 HydrophobicContact CG2-CG1 4.35Å; V529-V549 HydrophobicContact CG2-CG2 4.18Å
530	V	87.7	Confident	72.8	Confident	31 Å²	31	35.7 Å²	35.7	19%	0.188	20%	0.195	C	C	.	.	H	α-helix	trans	-68.9	-40.9	175.8	175.1	0	0	0	0	112	I270 L274 V526 S527 L528 M532 F533 E534	I270-V530 HydrophobicContact CB-CG1 3.99Å; I270-V530 HydrophobicContact CG2-CG1 3.94Å; L274-V530 HydrophobicContact CD1-CB 3.98Å; L274-V530 HydrophobicContact CD1-CG1 4.08Å; L274-V530 HydrophobicContact CD1-CG2 3.68Å; V526-V530 WeakPolarHBondContact O-CG2 3.39Å; V526-V530 PolarHBondContact O-N 3.45Å; S527-V530 PolarHBondContact O-N 2.71Å; L528-V530 PolarHBondContact O-N 3.45Å; V530-M532 VanDerWaalsContact C-N 3.3Å; V530-M532 PolarHBondContact O-N 3.09Å; V530-F533 PolarHBondContact O-N 3.35Å; V530-E534 WeakPolarHBondContact O-CG 3.48Å; V530-E534 PolarHBondContact O-N 2.56Å
531	I	84.4	Confident	74	Confident	12 Å²	12	36.3 Å²	36.3	6%	0.062	20%	0.197	C	C	.	.	H	α-helix	trans	-58.7	-45.9	173.4	-69.6	168.4	0	0	0	109.8	V262 F266 A268 F524 S527 L528 F533 E534 L535	V262-I531 HydrophobicContact CG1-CD1 4Å; F266-I531 HydrophobicContact CB-CG2 3.82Å; F266-I531 HydrophobicContact CD1-CG2 4.26Å; F266-I531 HydrophobicContact CD2-CD1 4.27Å; F266-I531 HydrophobicContact CD2-CG2 4.34Å; F266-I531 HydrophobicContact CG-CG2 3.87Å; A268-I531 HydrophobicContact CB-CB 4.34Å; A268-I531 HydrophobicContact CB-CG1 4.14Å; A268-I531 HydrophobicContact CB-CG2 4.18Å; F524-I531 HydrophobicContact CE2-CD1 4.46Å; F524-I531 HydrophobicContact CZ-CD1 3.77Å; S527-I531 VanDerWaalsContact O-CG1 3.27Å; S527-I531 WeakPolarHBondContact O-CG1 3.33Å; S527-I531 PolarHBondContact O-N 3.14Å; L528-I531 WeakPolarHBondContact O-CB 3.28Å; L528-I531 PolarHBondContact O-N 3.41Å; I531-F533 VanDerWaalsContact C-N 3.35Å; I531-F533 PolarHBondContact O-N 3.27Å; I531-E534 PolarHBondContact O-N 3.1Å; I531-L535 HydrophobicContact CG2-CD1 3.83Å; I531-L535 HydrophobicContact CG2-CG 4.17Å; I531-L535 WeakPolarHBondContact O-CB 3.48Å; I531-L535 VanDerWaalsContact O-CG 3.23Å; I531-L535 WeakPolarHBondContact O-CG 3.21Å; I531-L535 PolarHBondContact O-N 3.25Å
532	M	77.6	Confident	75.5	Confident	10 Å²	10	38.2 Å²	38.2	5%	0.049	21%	0.207	C	C	.	.	H	α-helix	trans	-64	-41.7	179.1	-167.7	52	58.8	0	0	112.4	I512 D513 L528 V529 V530 E534 L535 T536	I512-M532 HydrophobicContact CB-CE 3.57Å; I512-M532 HydrophobicContact CD1-CE 3.36Å; I512-M532 HydrophobicContact CD1-SD 3.57Å; I512-M532 VanDerWaalsContact CD1-SD 3.57Å; I512-M532 HydrophobicContact CG1-CE 4.15Å; I512-M532 HydrophobicContact CG2-CE 3.33Å; D513-M532 VanDerWaalsContact OD1-CB 3.25Å; D513-M532 WeakPolarHBondContact OD1-CB 3.14Å; D513-M532 WeakPolarHBondContact OD1-CE 3.19Å; D513-M532 WeakPolarHBondContact OD1-CG 3.35Å; D513-M532 WeakPolarHBondContact OD2-CG 3.31Å; L528-M532 PolarHBondContact O-N 3.46Å; V529-M532 PolarHBondContact O-N 3.31Å; V530-M532 VanDerWaalsContact C-N 3.3Å; V530-M532 PolarHBondContact O-N 3.09Å; M532-E534 VanDerWaalsContact C-N 3.34Å; M532-E534 PolarHBondContact O-N 2.93Å; M532-L535 HydrophobicContact CE-CD1 4.36Å; M532-L535 PolarHBondContact O-N 3.12Å; M532-L535 HydrophobicContact SD-CD1 4.48Å; M532-T536 HydrophobicContact CG-CG2 4.32Å; M532-T536 WeakPolarHBondContact O-CB 3.33Å; M532-T536 VanDerWaalsContact O-CG2 3.29Å; M532-T536 WeakPolarHBondContact O-CG2 3.32Å; M532-T536 PolarHBondContact O-N 2.96Å; M532-T536 PolarHBondContact O-OG1 2.66Å; M532-T536 HydrophobicContact SD-CG2 4Å
533	F	81.3	Confident	77.2	Confident	55 Å²	55	39.9 Å²	39.9	24%	0.241	22%	0.223	C	C	.	.	H	α-helix	trans	-59.9	-44.2	174.1	167.4	-111.9	0	0	0	111.9	V529 V530 I531 T536 G537 S538 L539 I542	V529-F533 WeakPolarHBondContact O-CB 3.27Å; V529-F533 PolarHBondContact O-N 3.05Å; V530-F533 PolarHBondContact O-N 3.35Å; I531-F533 VanDerWaalsContact C-N 3.35Å; I531-F533 PolarHBondContact O-N 3.27Å; F533-T536 PolarHBondContact O-N 3.31Å; F533-T536 PolarHBondContact O-OG1 3.09Å; F533-G537 PolarHBondContact O-N 3.3Å; F533-S538 VanDerWaalsContact CD2-C 3.46Å; F533-S538 VanDerWaalsContact CD2-O 3.25Å; F533-S538 WeakPolarHBondContact CD2-O 3.45Å; F533-L539 HydrophobicContact CD1-CD2 4.09Å; F533-L539 HydrophobicContact CD2-CB 4.45Å; F533-L539 HydrophobicContact CD2-CD2 3.69Å; F533-L539 HydrophobicContact CD2-CG 4.1Å; F533-L539 HydrophobicContact CE1-CD2 3.58Å; F533-L539 HydrophobicContact CE1-CG 4.35Å; F533-L539 VanDerWaalsContact CE2-CA 3.5Å; F533-L539 HydrophobicContact CE2-CB 3.92Å; F533-L539 HydrophobicContact CE2-CD2 3.19Å; F533-L539 HydrophobicContact CE2-CG 3.27Å; F533-L539 HydrophobicContact CG-CD2 4.15Å; F533-L539 HydrophobicContact CZ-CD1 4.39Å; F533-L539 HydrophobicContact CZ-CD2 3.1Å; F533-L539 HydrophobicContact CZ-CG 3.41Å; F533-L539 VanDerWaalsContact CZ-CG 3.41Å; F533-I542 HydrophobicContact CB-CG1 4.47Å; F533-I542 HydrophobicContact CD2-CD1 4.24Å; F533-I542 HydrophobicContact CD2-CG1 4.49Å; F533-I542 HydrophobicContact CG-CD1 4.23Å
534	E	84.9	Confident	78.8	Confident	49 Å²	49	35.6 Å²	35.6	23%	0.229	20%	0.204	C	C	.	.	H	α-helix	trans	-67.9	-33.9	176.3	-74.9	-171	-108.2	0	0	113	A268 P269 I270 G271 V530 I531 M532	A268-E534 VanDerWaalsContact CA-OE2 3.27Å; A268-E534 WeakPolarHBondContact CA-OE2 3.3Å; A268-E534 HydrophobicContact CB-CB 3.71Å; A268-E534 HydrophobicContact CB-CG 4.33Å; P269-E534 WeakPolarHBondContact CD-OE2 3.31Å; P269-E534 WeakPolarHBondContact CG-OE2 3.2Å; P269-E534 VanDerWaalsContact N-OE2 3.13Å; I270-E534 VanDerWaalsContact CA-OE1 3.25Å; I270-E534 WeakPolarHBondContact CA-OE1 3.47Å; I270-E534 WeakPolarHBondContact CB-OE1 3.43Å; I270-E534 PolarHBondContact N-OE1 2.97Å; I270-E534 PolarHBondContact N-OE2 2.84Å; G271-E534 PolarHBondContact N-OE1 3.37Å; V530-E534 WeakPolarHBondContact O-CG 3.48Å; V530-E534 PolarHBondContact O-N 2.56Å; I531-E534 PolarHBondContact O-N 3.1Å; M532-E534 VanDerWaalsContact C-N 3.34Å; M532-E534 PolarHBondContact O-N 2.93Å
535	L	77.2	Confident	79.9	Confident	8 Å²	8	35.7 Å²	35.7	4%	0.042	21%	0.205	C	C	.	.	H	α-helix	trans	-68.1	-40.9	176	-76.8	176.8	0	0	0	112.3	F266 S315 F317 A318 I531 M532	F266-L535 HydrophobicContact CB-CD2 4.43Å; F266-L535 WeakPolarHBondContact O-CD2 3.36Å; S315-L535 VanDerWaalsContact CB-CD2 3.41Å; S315-L535 WeakPolarHBondContact OG-CD2 3.33Å; F317-L535 HydrophobicContact CB-CD2 4.38Å; F317-L535 HydrophobicContact CD2-CD1 4.27Å; F317-L535 HydrophobicContact CD2-CD2 3.94Å; A318-L535 WeakPolarHBondContact CA-O 3.04Å; I531-L535 HydrophobicContact CG2-CD1 3.83Å; I531-L535 HydrophobicContact CG2-CG 4.17Å; I531-L535 WeakPolarHBondContact O-CB 3.48Å; I531-L535 VanDerWaalsContact O-CG 3.23Å; I531-L535 WeakPolarHBondContact O-CG 3.21Å; I531-L535 PolarHBondContact O-N 3.25Å; M532-L535 HydrophobicContact CE-CD1 4.36Å; M532-L535 PolarHBondContact O-N 3.12Å; M532-L535 HydrophobicContact SD-CD1 4.48Å
536	T	73.4	Confident	80.8	Confident	12 Å²	12	38.2 Å²	38.2	7%	0.074	22%	0.217	C	C	.	.	H	α-helix	trans	-85.9	-25.1	-176.3	54.9	0	0	0	0	113.2	M509 M532 F533 S538	M509-T536 HydrophobicContact CE-CG2 3.85Å; M509-T536 HydrophobicContact CG-CG2 4.5Å; M509-T536 HydrophobicContact SD-CG2 3.54Å; M509-T536 VanDerWaalsContact SD-CG2 3.54Å; M532-T536 HydrophobicContact CG-CG2 4.32Å; M532-T536 WeakPolarHBondContact O-CB 3.33Å; M532-T536 VanDerWaalsContact O-CG2 3.29Å; M532-T536 WeakPolarHBondContact O-CG2 3.32Å; M532-T536 PolarHBondContact O-N 2.96Å; M532-T536 PolarHBondContact O-OG1 2.66Å; M532-T536 HydrophobicContact SD-CG2 4Å; F533-T536 PolarHBondContact O-N 3.31Å; F533-T536 PolarHBondContact O-OG1 3.09Å; T536-S538 PolarHBondContact O-N 3.44Å
537	G	75.6	Confident	81.1	Confident	56 Å²	56	35 Å²	35	58%	0.577	20%	0.2	S	C	*	.			trans	72.9	4.2	-176.3	0	0	0	0	0	114.7	F533	F533-G537 PolarHBondContact O-N 3.3Å
538	S	74.7	Confident	81	Confident	24 Å²	24	35.1 Å²	35.1	17%	0.168	20%	0.2	C	C	.	.			trans	-123.8	121.9	-174.8	-179.4	0	0	0	0	113.6	F533 T536 E540	F533-S538 VanDerWaalsContact CD2-C 3.46Å; F533-S538 VanDerWaalsContact CD2-O 3.25Å; F533-S538 WeakPolarHBondContact CD2-O 3.45Å; T536-S538 PolarHBondContact O-N 3.44Å; S538-E540 PolarHBondContact O-N 3.37Å; S538-E540 PolarHBondContact OG-N 3.45Å
539	L	80.9	Confident	81.2	Confident	113 Å²	113	34.8 Å²	34.8	59%	0.592	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-73.5	-16	179.8	-72.8	170.1	0	0	0	112.3	F533 F541 I542	F533-L539 HydrophobicContact CD1-CD2 4.09Å; F533-L539 HydrophobicContact CD2-CB 4.45Å; F533-L539 HydrophobicContact CD2-CD2 3.69Å; F533-L539 HydrophobicContact CD2-CG 4.1Å; F533-L539 HydrophobicContact CE1-CD2 3.58Å; F533-L539 HydrophobicContact CE1-CG 4.35Å; F533-L539 VanDerWaalsContact CE2-CA 3.5Å; F533-L539 HydrophobicContact CE2-CB 3.92Å; F533-L539 HydrophobicContact CE2-CD2 3.19Å; F533-L539 HydrophobicContact CE2-CG 3.27Å; F533-L539 HydrophobicContact CG-CD2 4.15Å; F533-L539 HydrophobicContact CZ-CD1 4.39Å; F533-L539 HydrophobicContact CZ-CD2 3.1Å; F533-L539 HydrophobicContact CZ-CG 3.41Å; F533-L539 VanDerWaalsContact CZ-CG 3.41Å; L539-F541 PolarHBondContact O-N 2.9Å; L539-I542 HydrophobicContact CB-CD1 4.32Å; L539-I542 HydrophobicContact CD2-CD1 3.46Å; L539-I542 VanDerWaalsContact CD2-CD1 3.46Å; L539-I542 WeakPolarHBondContact O-CG1 3.31Å; L539-I542 PolarHBondContact O-N 3.26Å
540	E	80.2	Confident	81.2	Confident	77 Å²	77	38 Å²	38	36%	0.36	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-64.9	-25.8	-169.6	-63.6	-163.9	151.8	0	0	112.6	K324 W325 S538	K324-E540 WeakPolarHBondContact CE-OE1 2.98Å; K324-E540 WeakPolarHBondContact CG-OE2 3.43Å; W325-E540 VanDerWaalsContact CD1-O 3.24Å; W325-E540 PolarHBondContact NE1-O 3.08Å; S538-E540 PolarHBondContact O-N 3.37Å; S538-E540 PolarHBondContact OG-N 3.45Å
541	F	76.4	Confident	81.2	Confident	19 Å²	19	39.6 Å²	39.6	8%	0.083	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-96.6	4.4	-173.6	-57.5	-69	0	0	0	114.9	M323 W325 M506 L539 V543 P544 T545	M323-F541 WeakPolarHBondContact O-CZ 3.44Å; W325-F541 HydrophobicContact CB-CD1 4.39Å; W325-F541 HydrophobicContact CB-CE1 4.07Å; W325-F541 HydrophobicContact CG-CD1 4.47Å; W325-F541 HydrophobicContact CG-CE1 4.5Å; M506-F541 HydrophobicContact CE-CB 4.43Å; M506-F541 HydrophobicContact CE-CD1 3.3Å; M506-F541 HydrophobicContact CE-CD2 3.43Å; M506-F541 VanDerWaalsContact CE-CD2 3.43Å; M506-F541 HydrophobicContact CE-CE1 3.16Å; M506-F541 HydrophobicContact CE-CE2 3.28Å; M506-F541 HydrophobicContact CE-CG 3.41Å; M506-F541 VanDerWaalsContact CE-CG 3.41Å; M506-F541 HydrophobicContact CE-CZ 3.14Å; M506-F541 HydrophobicContact CG-CE1 4.41Å; M506-F541 HydrophobicContact CG-CZ 4.4Å; M506-F541 HydrophobicContact SD-CD2 4.5Å; M506-F541 HydrophobicContact SD-CE1 3.86Å; M506-F541 HydrophobicContact SD-CE2 3.79Å; M506-F541 HydrophobicContact SD-CZ 3.42Å; M506-F541 WeakPolarHBondContact SD-CZ 3.19Å; L539-F541 PolarHBondContact O-N 2.9Å; F541-V543 VanDerWaalsContact C-N 3.33Å; F541-V543 PolarHBondContact O-N 3.3Å; F541-P544 WeakPolarHBondContact O-CD 3.26Å; F541-T545 VanDerWaalsContact O-CG2 3.28Å; F541-T545 WeakPolarHBondContact O-CG2 3.5Å; F541-T545 PolarHBondContact O-N 2.73Å; F541-T545 PolarHBondContact O-OG1 3.32Å
542	I	82.5	Confident	81.1	Confident	47 Å²	47	39 Å²	39	24%	0.241	22%	0.215	C	C	.	.	H	α-helix	trans	-59.3	-41.8	-179.5	-71.4	175.4	0	0	0	112	V529 F533 L539 T545 M546	V529-I542 HydrophobicContact CG1-CG2 4.34Å; F533-I542 HydrophobicContact CB-CG1 4.47Å; F533-I542 HydrophobicContact CD2-CD1 4.24Å; F533-I542 HydrophobicContact CD2-CG1 4.49Å; F533-I542 HydrophobicContact CG-CD1 4.23Å; L539-I542 HydrophobicContact CB-CD1 4.32Å; L539-I542 HydrophobicContact CD2-CD1 3.46Å; L539-I542 VanDerWaalsContact CD2-CD1 3.46Å; L539-I542 WeakPolarHBondContact O-CG1 3.31Å; L539-I542 PolarHBondContact O-N 3.26Å; I542-T545 WeakPolarHBondContact CA-OG1 3.34Å; I542-T545 PolarHBondContact O-OG1 3.06Å; I542-M546 HydrophobicContact CG2-CG 4.07Å; I542-M546 HydrophobicContact CG2-SD 3.47Å; I542-M546 WeakPolarHBondContact CG2-SD 3.43Å; I542-M546 VanDerWaalsContact O-CB 3.3Å; I542-M546 WeakPolarHBondContact O-CB 2.75Å; I542-M546 WeakPolarHBondContact O-CG 3.29Å; I542-M546 PolarHBondContact O-N 3.12Å
543	V	85.6	Confident	81.2	Confident	85 Å²	85	40 Å²	40	52%	0.515	22%	0.219	S	C	.	.	H	α-helix	trans	-68	-50.3	-175.4	174.1	0	0	0	0	112	W325 F541 T545 M546 A547	W325-V543 HydrophobicContact CH2-CG1 4.17Å; W325-V543 HydrophobicContact CZ2-CB 4.03Å; W325-V543 HydrophobicContact CZ2-CG1 4.12Å; F541-V543 VanDerWaalsContact C-N 3.33Å; F541-V543 PolarHBondContact O-N 3.3Å; V543-T545 VanDerWaalsContact C-N 3.35Å; V543-T545 PolarHBondContact O-N 2.91Å; V543-M546 PolarHBondContact O-N 3.3Å; V543-A547 PolarHBondContact O-N 2.93Å
544	P	82.5	Confident	81.5	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.006	23%	0.234	C	C	.	.	H	α-helix	trans	-56.3	-43.6	173.2	-30	36.8	0	0	0	114.4	W325 F333 F541 A547 A548	W325-P544 HydrophobicContact CD2-CG 3.48Å; W325-P544 VanDerWaalsContact CD2-CG 3.48Å; W325-P544 HydrophobicContact CE3-CG 3.71Å; W325-P544 HydrophobicContact CG-CG 3.91Å; W325-P544 HydrophobicContact CH2-CG 4.23Å; W325-P544 HydrophobicContact CZ2-CG 4Å; W325-P544 HydrophobicContact CZ3-CG 4.07Å; F333-P544 HydrophobicContact CD2-CB 3.56Å; F333-P544 HydrophobicContact CD2-CG 4.25Å; F333-P544 HydrophobicContact CE2-CB 3.78Å; F333-P544 HydrophobicContact CE2-CG 4.2Å; F333-P544 HydrophobicContact CG-CB 3.99Å; F333-P544 HydrophobicContact CZ-CB 4.35Å; F541-P544 WeakPolarHBondContact O-CD 3.26Å; P544-A547 PolarHBondContact O-N 2.94Å; P544-A548 WeakPolarHBondContact O-CB 3.38Å; P544-A548 PolarHBondContact O-N 3.32Å
545	T	80.8	Confident	81.6	Confident	8 Å²	8	43.7 Å²	43.7	5%	0.049	23%	0.233	C	C	.	.	H	α-helix	trans	-67.2	-46.1	-178.7	55.5	0	0	0	0	111.1	A510 D513 F541 I542 V543 A547 A548 V549	A510-T545 HydrophobicContact CB-CG2 4.2Å; D513-T545 VanDerWaalsContact OD2-CB 3.23Å; D513-T545 WeakPolarHBondContact OD2-CB 3.27Å; D513-T545 WeakPolarHBondContact OD2-CG2 3.48Å; F541-T545 VanDerWaalsContact O-CG2 3.28Å; F541-T545 WeakPolarHBondContact O-CG2 3.5Å; F541-T545 PolarHBondContact O-N 2.73Å; F541-T545 PolarHBondContact O-OG1 3.32Å; I542-T545 WeakPolarHBondContact CA-OG1 3.34Å; I542-T545 PolarHBondContact O-OG1 3.06Å; V543-T545 VanDerWaalsContact C-N 3.35Å; V543-T545 PolarHBondContact O-N 2.91Å; T545-A547 VanDerWaalsContact C-N 3.33Å; T545-A547 PolarHBondContact O-N 3.47Å; T545-A548 PolarHBondContact O-N 2.84Å; T545-V549 VanDerWaalsContact O-CB 3.23Å; T545-V549 WeakPolarHBondContact O-CB 3.33Å; T545-V549 WeakPolarHBondContact O-CG2 3.49Å; T545-V549 PolarHBondContact O-N 3.1Å
546	M	85.3	Confident	81.7	Confident	90 Å²	90	43.4 Å²	43.4	44%	0.443	23%	0.233	S	C	.	.	H	α-helix	trans	-56.6	-45.7	174.6	-74.3	178.5	72.4	0	0	112.1	V529 I542 V543 M550	V529-M546 HydrophobicContact CG1-CG 3.82Å; V529-M546 HydrophobicContact CG2-CG 4.06Å; I542-M546 HydrophobicContact CG2-CG 4.07Å; I542-M546 HydrophobicContact CG2-SD 3.47Å; I542-M546 WeakPolarHBondContact CG2-SD 3.43Å; I542-M546 VanDerWaalsContact O-CB 3.3Å; I542-M546 WeakPolarHBondContact O-CB 2.75Å; I542-M546 WeakPolarHBondContact O-CG 3.29Å; I542-M546 PolarHBondContact O-N 3.12Å; V543-M546 PolarHBondContact O-N 3.3Å; M546-M550 WeakPolarHBondContact O-CB 3.44Å; M546-M550 VanDerWaalsContact O-CG 3.26Å; M546-M550 WeakPolarHBondContact O-CG 3.32Å; M546-M550 PolarHBondContact O-N 2.81Å
547	A	85.5	Confident	82.1	Confident	19 Å²	19	45.5 Å²	45.5	16%	0.157	24%	0.243	C	C	.	.	H	α-helix	trans	-61.8	-50	178.2	0	0	0	0	0	111.1	L330 I334 V543 P544 T545 V549 M550 F551	L330-A547 HydrophobicContact CD1-CB 3.69Å; I334-A547 HydrophobicContact CG1-CB 4.44Å; V543-A547 PolarHBondContact O-N 2.93Å; P544-A547 PolarHBondContact O-N 2.94Å; T545-A547 VanDerWaalsContact C-N 3.33Å; T545-A547 PolarHBondContact O-N 3.47Å; A547-V549 PolarHBondContact O-N 2.96Å; A547-M550 PolarHBondContact O-N 3.01Å; A547-F551 VanDerWaalsContact O-CD2 3.3Å; A547-F551 WeakPolarHBondContact O-CD2 3.43Å; A547-F551 PolarHBondContact O-N 3.39Å
548	A	82.8	Confident	82.6	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.008	25%	0.249	C	C	.	.	H	α-helix	trans	-57.3	-52	179.3	0	0	0	0	0	111.1	F333 L514 P544 T545 M550 F551 A552	F333-A548 HydrophobicContact CB-CB 4.47Å; F333-A548 WeakPolarHBondContact O-CB 3.25Å; L514-A548 HydrophobicContact CD1-CB 3.93Å; L514-A548 WeakPolarHBondContact CD1-O 3.1Å; P544-A548 WeakPolarHBondContact O-CB 3.38Å; P544-A548 PolarHBondContact O-N 3.32Å; T545-A548 PolarHBondContact O-N 2.84Å; A548-M550 PolarHBondContact O-N 3.17Å; A548-F551 PolarHBondContact O-N 3.16Å; A548-F551 VanDerWaalsContact O-N 3.16Å; A548-A552 PolarHBondContact O-N 3.14Å
549	V	82.3	Confident	83.1	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.006	26%	0.262	C	S	.	.	H	α-helix	trans	-52.8	-46.9	176.5	162.4	0	0	0	0	112.2	D513 T517 L525 L528 V529 T545 A547 A552 K553	D513-V549 HydrophobicContact CB-CG2 3.57Å; T517-V549 HydrophobicContact CG2-CB 4.23Å; T517-V549 HydrophobicContact CG2-CG1 3.58Å; T517-V549 HydrophobicContact CG2-CG2 4.46Å; L525-V549 HydrophobicContact CB-CG1 3.84Å; L525-V549 HydrophobicContact CD2-CG1 3.4Å; L525-V549 VanDerWaalsContact CD2-CG1 3.4Å; L525-V549 HydrophobicContact CG-CG1 4.09Å; L528-V549 HydrophobicContact CD2-CG2 3.62Å; V529-V549 HydrophobicContact CG2-CG1 4.35Å; V529-V549 HydrophobicContact CG2-CG2 4.18Å; T545-V549 VanDerWaalsContact O-CB 3.23Å; T545-V549 WeakPolarHBondContact O-CB 3.33Å; T545-V549 WeakPolarHBondContact O-CG2 3.49Å; T545-V549 PolarHBondContact O-N 3.1Å; A547-V549 PolarHBondContact O-N 2.96Å; V549-A552 PolarHBondContact O-N 3.42Å; V549-K553 WeakPolarHBondContact O-CB 3.43Å; V549-K553 PolarHBondContact O-N 3.47Å
550	M	84.4	Confident	82.8	Confident	80 Å²	80	47.7 Å²	47.7	39%	0.394	25%	0.25	S	C	.	.	H	α-helix	trans	-63	-44.2	177.5	-75.2	-177.8	70.7	0	0	112.5	M546 A547 A548 K553 W554	M546-M550 WeakPolarHBondContact O-CB 3.44Å; M546-M550 VanDerWaalsContact O-CG 3.26Å; M546-M550 WeakPolarHBondContact O-CG 3.32Å; M546-M550 PolarHBondContact O-N 2.81Å; A547-M550 PolarHBondContact O-N 3.01Å; A548-M550 PolarHBondContact O-N 3.17Å; M550-K553 PolarHBondContact O-N 3.03Å; M550-W554 HydrophobicContact CE-CH2 4.42Å; M550-W554 HydrophobicContact CE-CZ2 3.88Å; M550-W554 PolarHBondContact O-N 2.99Å
551	F	86.4	Confident	82.4	Confident	65 Å²	65	52.7 Å²	52.7	29%	0.285	27%	0.265	S	S	.	.	H	α-helix	trans	-69.6	-37.6	179.1	-85.2	-85.7	0	0	0	112.8	I334 T338 A547 A548 K553 W554 V555	I334-F551 HydrophobicContact CB-CD2 4.25Å; I334-F551 HydrophobicContact CB-CE2 4.42Å; I334-F551 HydrophobicContact CD1-CD2 4.37Å; I334-F551 HydrophobicContact CD1-CE2 3.81Å; I334-F551 HydrophobicContact CD1-CZ 4.32Å; I334-F551 HydrophobicContact CG1-CD2 3.79Å; I334-F551 HydrophobicContact CG1-CE2 3.75Å; I334-F551 HydrophobicContact CG2-CB 4.42Å; I334-F551 HydrophobicContact CG2-CD1 3.8Å; I334-F551 HydrophobicContact CG2-CD2 3.73Å; I334-F551 HydrophobicContact CG2-CE1 3.88Å; I334-F551 HydrophobicContact CG2-CE2 3.82Å; I334-F551 HydrophobicContact CG2-CG 3.73Å; I334-F551 HydrophobicContact CG2-CZ 3.89Å; T338-F551 HydrophobicContact CG2-CB 4.33Å; T338-F551 HydrophobicContact CG2-CD1 4.23Å; A547-F551 VanDerWaalsContact O-CD2 3.3Å; A547-F551 WeakPolarHBondContact O-CD2 3.43Å; A547-F551 PolarHBondContact O-N 3.39Å; A548-F551 PolarHBondContact O-N 3.16Å; A548-F551 VanDerWaalsContact O-N 3.16Å; F551-K553 VanDerWaalsContact C-N 3.33Å; F551-W554 HydrophobicContact CD1-CE3 4.1Å; F551-W554 HydrophobicContact CD1-CZ3 4.4Å; F551-W554 HydrophobicContact CE1-CE3 4.16Å; F551-W554 HydrophobicContact CE1-CZ3 4.04Å; F551-W554 HydrophobicContact CE2-CZ3 4.47Å; F551-W554 HydrophobicContact CZ-CZ3 4.08Å; F551-W554 PolarHBondContact O-N 2.68Å; F551-V555 WeakPolarHBondContact O-CG2 3.13Å; F551-V555 PolarHBondContact O-N 2.96Å; F551-V555 VanDerWaalsContact O-N 3.13Å
552	A	83	Confident	82.2	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-58.7	-48.4	170	0	0	0	0	0	111	G337 L514 T517 L518 A548 V549 W554 V555 G556	G337-A552 WeakPolarHBondContact O-CA 3.13Å; G337-A552 WeakPolarHBondContact O-CB 3.04Å; L514-A552 HydrophobicContact CD1-CB 3.18Å; L514-A552 HydrophobicContact CG-CB 3.67Å; T517-A552 WeakPolarHBondContact OG1-CB 3.25Å; L518-A552 WeakPolarHBondContact CD2-O 3.43Å; A548-A552 PolarHBondContact O-N 3.14Å; V549-A552 PolarHBondContact O-N 3.42Å; A552-W554 PolarHBondContact O-N 2.95Å; A552-V555 PolarHBondContact O-N 3.31Å; A552-G556 PolarHBondContact O-N 3.36Å
553	K	80.2	Confident	82	Confident	29 Å²	29	52.8 Å²	52.8	13%	0.126	27%	0.266	C	S	.	.	H	α-helix	trans	-57.1	-50.4	-179.9	179.9	-177.7	173	45	0	111.3	R522 L525 V549 M550 F551 V555 G556 D557	R522-K553 VanDerWaalsContact CA-NZ 3.31Å; R522-K553 WeakPolarHBondContact O-CE 3.23Å; R522-K553 PolarHBondContact O-NZ 3.12Å; L525-K553 HydrophobicContact CD1-CD 3.49Å; L525-K553 VanDerWaalsContact CD1-CD 3.49Å; L525-K553 HydrophobicContact CD2-CB 3.96Å; L525-K553 HydrophobicContact CD2-CD 3.79Å; L525-K553 HydrophobicContact CD2-CG 4.33Å; L525-K553 HydrophobicContact CG-CD 3.92Å; V549-K553 WeakPolarHBondContact O-CB 3.43Å; V549-K553 PolarHBondContact O-N 3.47Å; M550-K553 PolarHBondContact O-N 3.03Å; F551-K553 VanDerWaalsContact C-N 3.33Å; K553-V555 VanDerWaalsContact C-N 3.3Å; K553-V555 PolarHBondContact O-N 3.36Å; K553-G556 PolarHBondContact O-N 3.24Å; K553-D557 WeakPolarHBondContact CE-OD2 3.26Å; K553-D557 WeakPolarHBondContact CG-OD2 3.48Å; K553-D557 IonicContact NZ-OD1 3.66Å; K553-D557 PolarHBondContact NZ-OD1 3Å; K553-D557 IonicContact NZ-OD2 3.28Å; K553-D557 PolarHBondContact NZ-OD2 3.17Å; K553-D557 WeakPolarHBondContact O-CB 3.23Å; K553-D557 PolarHBondContact O-N 2.86Å
554	W	86.3	Confident	81.9	Confident	147 Å²	147	48.7 Å²	48.7	56%	0.557	24%	0.241	S	C	*	.	H	α-helix	trans	-58.7	-42.8	-179.2	-71.7	-14.6	0	0	0	112.5	M550 F551 A552 A558	M550-W554 HydrophobicContact CE-CH2 4.42Å; M550-W554 HydrophobicContact CE-CZ2 3.88Å; M550-W554 PolarHBondContact O-N 2.99Å; F551-W554 HydrophobicContact CD1-CE3 4.1Å; F551-W554 HydrophobicContact CD1-CZ3 4.4Å; F551-W554 HydrophobicContact CE1-CE3 4.16Å; F551-W554 HydrophobicContact CE1-CZ3 4.04Å; F551-W554 HydrophobicContact CE2-CZ3 4.47Å; F551-W554 HydrophobicContact CZ-CZ3 4.08Å; F551-W554 PolarHBondContact O-N 2.68Å; A552-W554 PolarHBondContact O-N 2.95Å; W554-A558 VanDerWaalsContact O-CB 3.26Å; W554-A558 WeakPolarHBondContact O-CB 3.25Å; W554-A558 PolarHBondContact O-N 3.34Å; W554-A558 VanDerWaalsContact O-N 3.14Å
555	V	87.1	Confident	82	Confident	35 Å²	35	48.7 Å²	48.7	21%	0.212	24%	0.241	C	C	.	.	H	α-helix	trans	-69	-39.2	177.1	174.9	0	0	0	0	111.4	T338 I342 F551 A552 K553 L559	T338-V555 HydrophobicContact CG2-CG2 3.92Å; I342-V555 HydrophobicContact CG1-CG1 3.81Å; F551-V555 WeakPolarHBondContact O-CG2 3.13Å; F551-V555 PolarHBondContact O-N 2.96Å; F551-V555 VanDerWaalsContact O-N 3.13Å; A552-V555 PolarHBondContact O-N 3.31Å; K553-V555 VanDerWaalsContact C-N 3.3Å; K553-V555 PolarHBondContact O-N 3.36Å; V555-L559 HydrophobicContact CG1-CD1 4.14Å; V555-L559 WeakPolarHBondContact O-CG 3.14Å; V555-L559 PolarHBondContact O-N 3.35Å
556	G	80.5	Confident	82	Confident	3 Å²	3	49 Å²	49	3%	0.031	24%	0.243	C	C	.	.	H	α-helix	trans	-61.5	-56.4	175.4	0	0	0	0	0	112.8	A552 K553 A558 L559 E560	A552-G556 PolarHBondContact O-N 3.36Å; K553-G556 PolarHBondContact O-N 3.24Å; G556-A558 PolarHBondContact O-N 2.77Å; G556-L559 PolarHBondContact O-N 2.95Å; G556-E560 CarbonylContact O-C 3.49Å; G556-E560 PolarHBondContact O-N 3.44Å
557	D	80.2	Confident	81.9	Confident	55 Å²	55	45.4 Å²	45.4	29%	0.294	23%	0.227	S	C	.	.	H	α-helix	trans	-58.8	-31.9	179.8	-72.7	-14.7	0	0	0	111.9	K553	K553-D557 WeakPolarHBondContact CE-OD2 3.26Å; K553-D557 WeakPolarHBondContact CG-OD2 3.48Å; K553-D557 IonicContact NZ-OD1 3.66Å; K553-D557 PolarHBondContact NZ-OD1 3Å; K553-D557 IonicContact NZ-OD2 3.28Å; K553-D557 PolarHBondContact NZ-OD2 3.17Å; K553-D557 WeakPolarHBondContact O-CB 3.23Å; K553-D557 PolarHBondContact O-N 2.86Å
558	A	86.3	Confident	81.8	Confident	85 Å²	85	45.3 Å²	45.3	70%	0.702	22%	0.223	S	C	*	.	H	α-helix	trans	-69.6	-31	175.3	0	0	0	0	0	113.1	W554 G556	W554-A558 VanDerWaalsContact O-CB 3.26Å; W554-A558 WeakPolarHBondContact O-CB 3.25Å; W554-A558 PolarHBondContact O-N 3.34Å; W554-A558 VanDerWaalsContact O-N 3.14Å; G556-A558 PolarHBondContact O-N 2.77Å
559	L	85	Confident	81.8	Confident	84 Å²	84	45.5 Å²	45.5	44%	0.44	22%	0.224	S	C	.	.	H	α-helix	trans	-95.5	-34.4	-178.3	-66.1	173.7	0	0	0	113.7	I342 T345 K349 V555 G556	I342-L559 HydrophobicContact CG1-CD1 4.23Å; T345-L559 HydrophobicContact CG2-CB 3.72Å; T345-L559 HydrophobicContact CG2-CD1 4.46Å; K349-L559 PolarHBondContact NZ-O 3.13Å; V555-L559 HydrophobicContact CG1-CD1 4.14Å; V555-L559 WeakPolarHBondContact O-CG 3.14Å; V555-L559 PolarHBondContact O-N 3.35Å; G556-L559 PolarHBondContact O-N 2.95Å
560	E	76.2	Confident	81.9	Confident	71 Å²	71	48.4 Å²	48.4	33%	0.332	25%	0.248	S	C	.	.			trans	-153.5	126	178.1	-169.4	66.8	-154.2	0	0	110.2	T345 K349 G556	T345-E560 HydrophobicContact CG2-CB 3.7Å; K349-E560 WeakPolarHBondContact CE-OE2 3.21Å; K349-E560 IonicContact NZ-OE2 3.88Å; K349-E560 PolarHBondContact NZ-OE2 3.46Å; G556-E560 CarbonylContact O-C 3.49Å; G556-E560 PolarHBondContact O-N 3.44Å
561	R	70.9	Confident	81.8	Confident	181 Å²	181	45.8 Å²	45.8	68%	0.683	24%	0.235	S	C	*	.	S	Bend	trans	-82.1	-15.8	-173.7	-66.5	-177.2	-179.9	176.2	0.5	115.1	R522	R522-R561 PolarHBondContact NH1-O 3.48Å; R522-R561 VanDerWaalsContact NH1-O 3.14Å
562	K	73.3	Confident	81.5	Confident	61 Å²	61	45.5 Å²	45.5	27%	0.265	24%	0.237	S	C	.	.	S	Bend	trans	-107.5	129.3	-172	-64.5	-176.8	178.6	-179.2	0	109.8	E745	K562-E745 IonicContact NZ-OE1 2.89Å; K562-E745 PolarHBondContact NZ-OE1 2.85Å; K562-E745 IonicContact NZ-OE2 3.3Å; K562-E745 PolarHBondContact NZ-OE2 3.21Å
563	G	78	Confident	81.2	Confident	7 Å²	7	46.3 Å²	46.3	7%	0.072	25%	0.245	C	C	.	.			trans	-72.4	175.5	172.1	0	0	0	0	0	111.8	D521 A567	D521-G563 VanDerWaalsContact OD1-CA 3.3Å; D521-G563 WeakPolarHBondContact OD1-CA 3.1Å; G563-A567 WeakPolarHBondContact O-CB 3.36Å; G563-A567 PolarHBondContact O-N 2.81Å
564	I	82.8	Confident	81.1	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-69.9	-37.4	-174.9	-146.4	176.3	0	0	0	112.4	F347 I348 F451 L459 L519 A567 H568	F347-I564 HydrophobicContact CD1-CD1 4.26Å; F347-I564 HydrophobicContact CE1-CD1 3.71Å; I348-I564 HydrophobicContact CG1-CB 4.43Å; I348-I564 HydrophobicContact CG1-CG1 4.45Å; F451-I564 HydrophobicContact CD1-CD1 3.89Å; F451-I564 HydrophobicContact CE1-CD1 3.6Å; F451-I564 HydrophobicContact CE1-CG1 4.2Å; L459-I564 HydrophobicContact CD2-CD1 3.4Å; L459-I564 VanDerWaalsContact CD2-CD1 3.4Å; L459-I564 HydrophobicContact CD2-CG2 3.79Å; L519-I564 HydrophobicContact CB-CG2 4.34Å; L519-I564 HydrophobicContact CD2-CD1 4.25Å; L519-I564 WeakPolarHBondContact O-CA 3.5Å; L519-I564 WeakPolarHBondContact O-CB 3.3Å; L519-I564 WeakPolarHBondContact O-CG2 3.29Å; L519-I564 PolarHBondContact O-N 3.26Å; I564-A567 PolarHBondContact O-N 2.9Å; I564-H568 WeakPolarHBondContact O-CB 3.29Å; I564-H568 PolarHBondContact O-CD2 3.33Å; I564-H568 PolarHBondContact O-N 2.91Å
565	Y	83.7	Confident	80.6	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-71.7	-43.4	-178.8	-62.7	-50.3	0	0	0	110.5	I181 P182 F460 E520 A567 H568 I569	I181-Y565 HydrophobicContact CB-CE1 4.42Å; I181-Y565 HydrophobicContact CD1-CE2 4.38Å; I181-Y565 HydrophobicContact CG2-CD2 4.12Å; I181-Y565 HydrophobicContact CG2-CE2 4.25Å; I181-Y565 HydrophobicContact CG2-CG 4.28Å; P182-Y565 HydrophobicContact CG-CD1 3.78Å; P182-Y565 HydrophobicContact CG-CG 4.4Å; F460-Y565 WeakPolarHBondContact CD2-OH 3.25Å; F460-Y565 HydrophobicContact CE2-CE2 4.47Å; F460-Y565 AromaticContact CE2-CZ 3.95Å; F460-Y565 WeakPolarHBondContact CE2-OH 3.04Å; F460-Y565 HydrophobicContact CZ-CE2 4.3Å; F460-Y565 WeakPolarHBondContact CZ-OH 3.17Å; E520-Y565 HydrophobicContact CB-CE2 4.46Å; E520-Y565 VanDerWaalsContact CD-CE2 3.49Å; E520-Y565 HydrophobicContact CG-CD2 4.38Å; E520-Y565 HydrophobicContact CG-CE2 3.77Å; E520-Y565 VanDerWaalsContact OE1-CE2 3.31Å; E520-Y565 WeakPolarHBondContact OE1-CE2 3.38Å; E520-Y565 PolarHBondContact OE1-OH 3.48Å; E520-Y565 VanDerWaalsContact OE1-OH 3.05Å; Y565-A567 VanDerWaalsContact C-N 3.32Å; Y565-A567 PolarHBondContact O-N 2.98Å; Y565-H568 PolarHBondContact O-N 3.48Å; Y565-H568 VanDerWaalsContact O-N 3.17Å; Y565-I569 VanDerWaalsContact O-CG1 3.28Å; Y565-I569 WeakPolarHBondContact O-CG1 3.25Å; Y565-I569 PolarHBondContact O-N 3.07Å
566	D	81.7	Confident	80	Confident	16 Å²	16	40.3 Å²	40.3	9%	0.086	22%	0.219	C	C	.	.	H	α-helix	trans	-60.8	-40.1	171.7	-74.1	-20	0	0	0	112.1	K185 D521 H568 I569 A570	K185-D566 IonicContact NZ-OD1 3.96Å; K185-D566 PolarHBondContact NZ-OD1 3.24Å; K185-D566 IonicContact NZ-OD2 3.97Å; K185-D566 PolarHBondContact NZ-OD2 3.38Å; D521-D566 WeakPolarHBondContact OD1-CB 3.45Å; D521-D566 PolarHBondContact OD1-N 3.24Å; D566-H568 VanDerWaalsContact C-N 3.34Å; D566-H568 PolarHBondContact O-N 2.92Å; D566-I569 WeakPolarHBondContact O-CB 3.37Å; D566-I569 PolarHBondContact O-N 3.33Å; D566-A570 WeakPolarHBondContact O-CB 3.29Å; D566-A570 PolarHBondContact O-N 3.18Å
567	A	82.5	Confident	79.9	Confident	13 Å²	13	40.4 Å²	40.4	11%	0.107	22%	0.219	C	C	.	.	H	α-helix	trans	-63.5	-37.7	174.4	0	0	0	0	0	112.6	V352 G563 I564 Y565 L571	V352-A567 HydrophobicContact CG2-CB 3.7Å; G563-A567 WeakPolarHBondContact O-CB 3.36Å; G563-A567 PolarHBondContact O-N 2.81Å; I564-A567 PolarHBondContact O-N 2.9Å; Y565-A567 VanDerWaalsContact C-N 3.32Å; Y565-A567 PolarHBondContact O-N 2.98Å; A567-L571 VanDerWaalsContact O-CB 3.23Å; A567-L571 WeakPolarHBondContact O-CB 3.32Å; A567-L571 PolarHBondContact O-N 3.47Å
568	H	83.7	Confident	79.5	Confident	17 Å²	17	38.3 Å²	38.3	8%	0.079	21%	0.208	C	C	.	.	H	α-helix	trans	-72.6	-34.7	174.9	-87.9	-99.8	0	0	0	112.7	P182 N351 F451 I564 Y565 D566 L571 N572	P182-H568 HydrophobicContact CG-CB 4.39Å; N351-H568 PolarHBondContact OD1-NE2 3.26Å; F451-H568 AromaticContact CD1-NE2 3.74Å; F451-H568 AromaticContact CE1-CD2 3.76Å; F451-H568 AromaticContact CE1-CE1 3.61Å; F451-H568 AromaticContact CE1-NE2 3.22Å; F451-H568 WeakPolarHBondContact CE1-NE2 3.43Å; I564-H568 WeakPolarHBondContact O-CB 3.29Å; I564-H568 PolarHBondContact O-CD2 3.33Å; I564-H568 PolarHBondContact O-N 2.91Å; Y565-H568 PolarHBondContact O-N 3.48Å; Y565-H568 VanDerWaalsContact O-N 3.17Å; D566-H568 VanDerWaalsContact C-N 3.34Å; D566-H568 PolarHBondContact O-N 2.92Å; H568-L571 PolarHBondContact O-N 3.43Å; H568-N572 VanDerWaalsContact O-CB 3.3Å; H568-N572 WeakPolarHBondContact O-CB 3.3Å; H568-N572 VanDerWaalsContact O-CG 3.28Å; H568-N572 PolarHBondContact O-N 3.06Å; H568-N572 PolarHBondContact O-ND2 3.3Å
569	I	84.5	Confident	78.7	Confident	5 Å²	5	36.5 Å²	36.5	3%	0.026	19%	0.186	C	C	.	.	H	α-helix	trans	-59.5	-49.5	171.1	-71.7	173.1	0	0	0	109.8	P182 K185 Y565 D566 N572 G573 Y574 F576	P182-I569 HydrophobicContact CB-CD1 4.44Å; P182-I569 HydrophobicContact CB-CG1 3.74Å; K185-I569 HydrophobicContact CB-CD1 4.27Å; K185-I569 HydrophobicContact CD-CD1 3.8Å; K185-I569 HydrophobicContact CG-CD1 4.35Å; Y565-I569 VanDerWaalsContact O-CG1 3.28Å; Y565-I569 WeakPolarHBondContact O-CG1 3.25Å; Y565-I569 PolarHBondContact O-N 3.07Å; D566-I569 WeakPolarHBondContact O-CB 3.37Å; D566-I569 PolarHBondContact O-N 3.33Å; I569-N572 PolarHBondContact O-N 3.16Å; I569-G573 PolarHBondContact O-N 3.38Å; I569-G573 VanDerWaalsContact O-N 3.09Å; I569-Y574 PolarHBondContact O-N 2.67Å; I569-Y574 VanDerWaalsContact O-N 3.1Å; I569-F576 HydrophobicContact CD1-CD1 4.24Å; I569-F576 HydrophobicContact CD1-CG 4.26Å; I569-F576 HydrophobicContact CG2-CB 3.42Å; I569-F576 VanDerWaalsContact CG2-CB 3.42Å; I569-F576 HydrophobicContact CG2-CD1 4.25Å; I569-F576 HydrophobicContact CG2-CG 4.03Å
570	A	82.9	Confident	77.6	Confident	63 Å²	63	35.7 Å²	35.7	52%	0.521	18%	0.179	S	C	.	.	H	α-helix	trans	-63.2	-43.8	176.9	0	0	0	0	0	111.7	D566 N572 G573	D566-A570 WeakPolarHBondContact O-CB 3.29Å; D566-A570 PolarHBondContact O-N 3.18Å; A570-N572 VanDerWaalsContact C-N 3.32Å; A570-N572 PolarHBondContact O-N 3.36Å; A570-G573 PolarHBondContact O-N 3.34Å; A570-G573 VanDerWaalsContact O-N 3.1Å
571	L	83.2	Confident	77.2	Confident	24 Å²	24	35.1 Å²	35.1	13%	0.126	18%	0.176	C	C	.	.	H	α-helix	trans	-63.2	-36.4	178.3	-174.2	69.1	0	0	0	112.5	C355 R356 R359 A567 H568 G573	C355-L571 HydrophobicContact CB-CD2 3.42Å; C355-L571 VanDerWaalsContact CB-CD2 3.42Å; R356-L571 HydrophobicContact CB-CD1 3.96Å; R356-L571 HydrophobicContact CG-CD1 4.35Å; R359-L571 PolarHBondContact NH1-O 2.88Å; A567-L571 VanDerWaalsContact O-CB 3.23Å; A567-L571 WeakPolarHBondContact O-CB 3.32Å; A567-L571 PolarHBondContact O-N 3.47Å; H568-L571 PolarHBondContact O-N 3.43Å; L571-G573 VanDerWaalsContact C-N 3.29Å
572	N	80.2	Confident	77.1	Confident	60 Å²	60	34.6 Å²	34.6	32%	0.321	18%	0.182	S	C	.	.	H	α-helix	trans	-79.5	-12.1	176.9	-72.1	-29.3	0	0	0	113	H568 I569 A570 Y574	H568-N572 VanDerWaalsContact O-CB 3.3Å; H568-N572 WeakPolarHBondContact O-CB 3.3Å; H568-N572 VanDerWaalsContact O-CG 3.28Å; H568-N572 PolarHBondContact O-N 3.06Å; H568-N572 PolarHBondContact O-ND2 3.3Å; I569-N572 PolarHBondContact O-N 3.16Å; A570-N572 VanDerWaalsContact C-N 3.32Å; A570-N572 PolarHBondContact O-N 3.36Å; N572-Y574 VanDerWaalsContact C-N 3.32Å; N572-Y574 HydrophobicContact CB-CD1 4.45Å; N572-Y574 HydrophobicContact CB-CD2 3.8Å; N572-Y574 HydrophobicContact CB-CE1 4.33Å; N572-Y574 HydrophobicContact CB-CE2 3.67Å; N572-Y574 HydrophobicContact CB-CG 4.2Å
573	G	75.8	Confident	77.1	Confident	16 Å²	16	32.8 Å²	32.8	17%	0.165	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	25.7	-178.3	0	0	0	0	0	112.9	Y26 I569 A570 L571	Y26-G573 WeakPolarHBondContact CE1-O 3.15Å; I569-G573 PolarHBondContact O-N 3.38Å; I569-G573 VanDerWaalsContact O-N 3.09Å; A570-G573 PolarHBondContact O-N 3.34Å; A570-G573 VanDerWaalsContact O-N 3.1Å; L571-G573 VanDerWaalsContact C-N 3.29Å
574	Y	78.9	Confident	77	Confident	51 Å²	51	38.6 Å²	38.6	20%	0.2	20%	0.202	C	C	.	.			trans	-71.9	138.5	176.9	-65.8	-39.1	0	0	0	110.5	F29 E183 I569 N572 F576	F29-Y574 AromaticContact CE1-CD1 4Å; F29-Y574 HydrophobicContact CE1-CD1 4Å; F29-Y574 HydrophobicContact CE1-CE1 4.37Å; F29-Y574 HydrophobicContact CE2-CD1 4.49Å; F29-Y574 AromaticContact CZ-CD1 3.56Å; F29-Y574 HydrophobicContact CZ-CD1 3.56Å; F29-Y574 AromaticContact CZ-CE1 3.93Å; F29-Y574 HydrophobicContact CZ-CE1 3.93Å; E183-Y574 HydrophobicContact CG-CE2 3.72Å; E183-Y574 WeakPolarHBondContact OE1-CE2 3.4Å; E183-Y574 PolarHBondContact OE1-OH 3.01Å; E183-Y574 VanDerWaalsContact OE1-OH 3.05Å; I569-Y574 PolarHBondContact O-N 2.67Å; I569-Y574 VanDerWaalsContact O-N 3.1Å; N572-Y574 VanDerWaalsContact C-N 3.32Å; N572-Y574 HydrophobicContact CB-CD1 4.45Å; N572-Y574 HydrophobicContact CB-CD2 3.8Å; N572-Y574 HydrophobicContact CB-CE1 4.33Å; N572-Y574 HydrophobicContact CB-CE2 3.67Å; N572-Y574 HydrophobicContact CB-CG 4.2Å; Y574-F576 PolarHBondContact O-N 3.15Å; Y574-F576 VanDerWaalsContact O-N 3.09Å
575	P	74.8	Confident	76.8	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.006	22%	0.215	C	C	.	.			trans	-72.2	110.2	175.8	27.4	-30.6	0	0	0	107.8	Y26 F29 F191 L738	Y26-P575 HydrophobicContact CD1-CB 3.53Å; Y26-P575 HydrophobicContact CD1-CG 3.8Å; Y26-P575 HydrophobicContact CE1-CB 3.56Å; Y26-P575 HydrophobicContact CE1-CG 4.13Å; F29-P575 HydrophobicContact CB-CG 3.99Å; F29-P575 HydrophobicContact CD1-CG 4.26Å; F29-P575 HydrophobicContact CD2-CG 3.98Å; F29-P575 HydrophobicContact CG-CG 3.81Å; F191-P575 HydrophobicContact CD1-CB 4.16Å; F191-P575 HydrophobicContact CD1-CG 3.59Å; F191-P575 HydrophobicContact CD2-CG 4.43Å; F191-P575 WeakPolarHBondContact CD2-O 3.31Å; F191-P575 HydrophobicContact CE1-CB 3.54Å; F191-P575 HydrophobicContact CE1-CG 3.49Å; F191-P575 VanDerWaalsContact CE1-CG 3.49Å; F191-P575 HydrophobicContact CE2-CB 4.12Å; F191-P575 HydrophobicContact CE2-CG 4.36Å; F191-P575 WeakPolarHBondContact CE2-O 3.44Å; F191-P575 HydrophobicContact CG-CG 4.07Å; F191-P575 HydrophobicContact CZ-CB 3.52Å; F191-P575 HydrophobicContact CZ-CG 3.9Å; F191-P575 WeakPolarHBondContact CZ-O 3.33Å; P575-L738 HydrophobicContact CB-CD1 3.54Å
576	F	75.8	Confident	76.8	Confident	34 Å²	34	49.5 Å²	49.5	15%	0.149	26%	0.258	C	S	.	.			trans	-135.6	119.6	177.5	-178.3	-113.1	0	0	0	108.1	K185 I569 Y574 D578 L738	K185-F576 HydrophobicContact CD-CE1 4.35Å; K185-F576 HydrophobicContact CD-CE2 4.22Å; K185-F576 HydrophobicContact CD-CZ 3.9Å; K185-F576 VanDerWaalsContact CE-CZ 3.41Å; K185-F576 HydrophobicContact CG-CE2 3.75Å; K185-F576 HydrophobicContact CG-CZ 3.9Å; I569-F576 HydrophobicContact CD1-CD1 4.24Å; I569-F576 HydrophobicContact CD1-CG 4.26Å; I569-F576 HydrophobicContact CG2-CB 3.42Å; I569-F576 VanDerWaalsContact CG2-CB 3.42Å; I569-F576 HydrophobicContact CG2-CD1 4.25Å; I569-F576 HydrophobicContact CG2-CG 4.03Å; Y574-F576 PolarHBondContact O-N 3.15Å; Y574-F576 VanDerWaalsContact O-N 3.09Å; F576-D578 HydrophobicContact CD1-CB 4.25Å; F576-D578 HydrophobicContact CE1-CB 3.63Å; F576-D578 HydrophobicContact CZ-CB 4.29Å; F576-L738 VanDerWaalsContact O-CD2 3.24Å; F576-L738 WeakPolarHBondContact O-CD2 3.2Å
577	L	76.8	Confident	77.1	Confident	4 Å²	4	49.8 Å²	49.8	2%	0.021	26%	0.261	C	S	.	.			trans	-99.8	100.2	171.9	-173.1	65.8	0	0	0	105.1	N579 I709 F712 R713 V737 L738 I741	L577-N579 PolarHBondContact O-OD1 3.18Å; L577-I709 HydrophobicContact CD1-CG2 4.39Å; L577-F712 HydrophobicContact CD2-CB 4.09Å; L577-R713 HydrophobicContact CD2-CG 3.74Å; L577-R713 HydrophobicContact CG-CG 4.05Å; L577-V737 HydrophobicContact CD1-CG1 4.27Å; L577-L738 HydrophobicContact CB-CD2 4.04Å; L577-L738 HydrophobicContact CD1-CD2 3.96Å; L577-I741 HydrophobicContact CD1-CD1 3.76Å
578	D	73.2	Confident	77.6	Confident	11 Å²	11	51 Å²	51	6%	0.059	27%	0.267	C	S	.	.			trans	-62.9	138.3	174.6	-172.3	6.1	0	0	0	108.1	R522 F576 K580 E581 R713	R522-D578 IonicContact CZ-OD2 2.67Å; R522-D578 IonicContact NH2-OD2 2.67Å; R522-D578 PolarHBondContact NH2-OD2 3.37Å; F576-D578 HydrophobicContact CD1-CB 4.25Å; F576-D578 HydrophobicContact CE1-CB 3.63Å; F576-D578 HydrophobicContact CZ-CB 4.29Å; D578-K580 PolarHBondContact OD1-N 3.39Å; D578-K580 VanDerWaalsContact OD1-N 3.15Å; D578-E581 HydrophobicContact CB-CG 4.12Å; D578-R713 PolarHBondContact O-NE 3.1Å; D578-R713 PolarHBondContact O-NH2 2.87Å
579	N	68	Low	77.9	Confident	48 Å²	48	50.2 Å²	50.2	26%	0.257	26%	0.263	S	S	.	.	S	Bend	trans	-79	-20	179.5	-60.4	0.3	0	0	0	112.4	Y282 L577	Y282-N579 WeakPolarHBondContact CD2-ND2 3.4Å; Y282-N579 WeakPolarHBondContact CD2-OD1 3.3Å; Y282-N579 HydrophobicContact CE2-CB 4.23Å; Y282-N579 WeakPolarHBondContact CE2-ND2 3.36Å; Y282-N579 WeakPolarHBondContact CE2-OD1 3.37Å; L577-N579 PolarHBondContact O-OD1 3.18Å
580	K	63.5	Low	78.2	Confident	67 Å²	67	51.6 Å²	51.6	29%	0.291	28%	0.275	S	S	.	.	S	Bend	trans	-100.6	-7.1	-163.2	-65.1	147.3	158.8	-171.4	0	112.4	E278 F523 D578	E278-K580 PolarHBondContact O-NZ 2.89Å; F523-K580 HydrophobicContact CD2-CB 4.32Å; F523-K580 HydrophobicContact CD2-CD 3.32Å; F523-K580 HydrophobicContact CD2-CG 3.93Å; F523-K580 HydrophobicContact CE2-CB 3.4Å; F523-K580 VanDerWaalsContact CE2-CB 3.4Å; F523-K580 HydrophobicContact CE2-CD 3.32Å; F523-K580 HydrophobicContact CE2-CG 3.41Å; F523-K580 VanDerWaalsContact CE2-CG 3.41Å; F523-K580 HydrophobicContact CG-CD 4.14Å; F523-K580 HydrophobicContact CZ-CB 3.76Å; F523-K580 HydrophobicContact CZ-CD 4.13Å; F523-K580 HydrophobicContact CZ-CG 3.77Å; D578-K580 PolarHBondContact OD1-N 3.39Å; D578-K580 VanDerWaalsContact OD1-N 3.15Å
581	E	67.9	Low	78.5	Confident	58 Å²	58	52.1 Å²	52.1	27%	0.271	27%	0.269	S	S	.	.			trans	-84.5	118.6	175.7	-69.3	-171.2	161.1	0	0	110.9	R522 D578 F583 R713	R522-E581 IonicContact CZ-OE1 3.25Å; R522-E581 IonicContact NH1-OE1 2.65Å; R522-E581 PolarHBondContact NH1-OE1 3.11Å; R522-E581 IonicContact NH2-OE1 3.18Å; R522-E581 PolarHBondContact NH2-OE1 3.29Å; D578-E581 HydrophobicContact CB-CG 4.12Å; E581-F583 PolarHBondContact O-N 3.09Å; E581-R713 PolarHBondContact O-NH1 3.38Å; E581-R713 PolarHBondContact O-NH2 3.27Å
582	E	68.2	Low	78.8	Confident	171 Å²	171	51 Å²	51	80%	0.799	26%	0.263	S	S	*	.			trans	-69.1	128.8	168.8	-67	179.1	179.1	0	0	108.8	I584	E582-I584 PolarHBondContact O-N 3.09Å
583	F	73.9	Confident	79.4	Confident	23 Å²	23	49.4 Å²	49.4	10%	0.101	25%	0.254	C	S	.	.			trans	-86	107.6	177.2	-173.3	-101.1	0	0	0	108.5	E581 H585 T587 M705 I709 I741 L744	E581-F583 PolarHBondContact O-N 3.09Å; F583-H585 HydrophobicContact CD1-CB 4.47Å; F583-H585 WeakPolarHBondContact CD1-O 3.32Å; F583-H585 HydrophobicContact CE1-CB 3.77Å; F583-H585 WeakPolarHBondContact CE1-O 3.4Å; F583-H585 HydrophobicContact CE2-CB 4.41Å; F583-H585 AromaticContact CE2-CD2 3.88Å; F583-H585 HydrophobicContact CZ-CB 3.75Å; F583-T587 WeakPolarHBondContact CE1-OG1 3.2Å; F583-T587 WeakPolarHBondContact CZ-OG1 3.46Å; F583-M705 HydrophobicContact CD1-CB 3.96Å; F583-M705 HydrophobicContact CE1-CB 3.42Å; F583-M705 VanDerWaalsContact CE1-CB 3.42Å; F583-M705 HydrophobicContact CE1-CG 4.43Å; F583-M705 HydrophobicContact CZ-CB 4.06Å; F583-I709 HydrophobicContact CB-CD1 3.68Å; F583-I709 HydrophobicContact CD1-CD1 4Å; F583-I709 HydrophobicContact CD2-CD1 3.35Å; F583-I709 HydrophobicContact CE1-CD1 4.45Å; F583-I709 HydrophobicContact CE2-CD1 3.9Å; F583-I709 HydrophobicContact CG-CD1 3.39Å; F583-I709 HydrophobicContact CZ-CD1 4.41Å; F583-I741 HydrophobicContact CD2-CG1 4.3Å; F583-I741 HydrophobicContact CE2-CG1 3.95Å; F583-L744 HydrophobicContact CE2-CD1 3.96Å; F583-L744 HydrophobicContact CZ-CD1 3.69Å
584	I	75.4	Confident	80	Confident	128 Å²	128	52.4 Å²	52.4	66%	0.656	26%	0.261	S	S	*	.			trans	-86.6	-15.3	-170.9	-56.1	164.9	0	0	0	111.9	E582	E582-I584 PolarHBondContact O-N 3.09Å
585	H	78.9	Confident	80.6	Confident	61 Å²	61	51.5 Å²	51.5	28%	0.282	26%	0.261	S	S	.	.	S	Bend	trans	-83.2	141.1	-172.4	-53.5	-83	0	0	0	113.3	F583 T587 L744 D748	F583-H585 HydrophobicContact CD1-CB 4.47Å; F583-H585 WeakPolarHBondContact CD1-O 3.32Å; F583-H585 HydrophobicContact CE1-CB 3.77Å; F583-H585 WeakPolarHBondContact CE1-O 3.4Å; F583-H585 HydrophobicContact CE2-CB 4.41Å; F583-H585 AromaticContact CE2-CD2 3.88Å; F583-H585 HydrophobicContact CZ-CB 3.75Å; H585-T587 VanDerWaalsContact C-N 3.27Å; H585-T587 PolarHBondContact O-N 3.41Å; H585-L744 HydrophobicContact CB-CD1 4.02Å; H585-D748 IonicContact CE1-OD2 3.94Å; H585-D748 PolarHBondContact CE1-OD2 3.03Å; H585-D748 VanDerWaalsContact CE1-OD2 3.3Å; H585-D748 IonicContact NE2-OD2 3.79Å
586	N	82.1	Confident	81	Confident	169 Å²	169	54.6 Å²	54.6	90%	0.904	27%	0.272	S	S	*	.			trans	-85.6	56.5	179	-68	-14.8	0	0	0	112.5
587	T	89.1	Confident	81.1	Confident	22 Å²	22	59.6 Å²	59.6	14%	0.135	31%	0.308	C	S	.	.			trans	-101.4	154.5	174.8	53.9	0	0	0	0	111.2	F583 H585 D591 M705 H740 L744	F583-T587 WeakPolarHBondContact CE1-OG1 3.2Å; F583-T587 WeakPolarHBondContact CZ-OG1 3.46Å; H585-T587 VanDerWaalsContact C-N 3.27Å; H585-T587 PolarHBondContact O-N 3.41Å; T587-D591 WeakPolarHBondContact CB-OD2 3.46Å; T587-M705 VanDerWaalsContact O-CB 3.28Å; T587-M705 WeakPolarHBondContact O-CB 3.46Å; T587-M705 WeakPolarHBondContact O-CG 3.29Å; T587-M705 PolarHBondContact O-N 3.05Å; T587-M705 VanDerWaalsContact OG1-CG 3.3Å; T587-M705 WeakPolarHBondContact OG1-CG 3.42Å; T587-H740 PolarHBondContact OG1-NE2 3.43Å; T587-L744 HydrophobicContact CG2-CD1 4.45Å
588	V	92.2	Very high	81.1	Confident	39 Å²	39	63.4 Å²	63.4	24%	0.236	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-112.3	163.6	-178.9	-66.9	0	0	0	0	111.6	A590 D591	V588-A590 HydrophobicContact CG2-CB 4.05Å; V588-A590 PolarHBondContact O-N 3.19Å; V588-A590 VanDerWaalsContact O-N 3.16Å; V588-D591 WeakPolarHBondContact CG2-OD2 3.3Å; V588-D591 PolarHBondContact N-OD2 3.31Å; V588-D591 WeakPolarHBondContact O-CB 3.12Å; V588-D591 PolarHBondContact O-N 3.25Å
589	A	91.7	Very high	81.6	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-55.5	-33.4	179.1	0	0	0	0	0	113.3	D591 V592 M593 I699 T703 V708	A589-D591 PolarHBondContact O-N 3.41Å; A589-V592 PolarHBondContact O-N 2.8Å; A589-M593 WeakPolarHBondContact O-CB 3.45Å; A589-M593 PolarHBondContact O-N 3.07Å; A589-I699 HydrophobicContact CB-CD1 3.47Å; A589-I699 VanDerWaalsContact CB-CD1 3.47Å; A589-T703 PolarHBondContact N-O 3.23Å; A589-V708 HydrophobicContact CB-CG2 4.01Å
590	A	90.6	Very high	82.3	Confident	33 Å²	33	68.3 Å²	68.3	27%	0.273	38%	0.381	S	S	.	.	H	α-helix	trans	-59.5	-29.8	175.5	0	0	0	0	0	113.7	V588 V592 M593 D701	V588-A590 HydrophobicContact CG2-CB 4.05Å; V588-A590 PolarHBondContact O-N 3.19Å; V588-A590 VanDerWaalsContact O-N 3.16Å; A590-V592 VanDerWaalsContact C-N 3.3Å; A590-V592 PolarHBondContact O-N 2.92Å; A590-M593 HydrophobicContact CB-CE 4.29Å; A590-D701 HydrophobicContact CB-CB 4.3Å; A590-D701 PolarHBondContact N-O 2.94Å; A590-D701 VanDerWaalsContact N-O 3.11Å
591	D	88.8	Confident	83.4	Confident	74 Å²	74	70 Å²	70	40%	0.396	40%	0.398	S	S	.	.	H	α-helix	trans	-74	-25.1	-179	-56.6	-32.4	0	0	0	111.8	T587 V588 A589 R596	T587-D591 WeakPolarHBondContact CB-OD2 3.46Å; V588-D591 WeakPolarHBondContact CG2-OD2 3.3Å; V588-D591 PolarHBondContact N-OD2 3.31Å; V588-D591 WeakPolarHBondContact O-CB 3.12Å; V588-D591 PolarHBondContact O-N 3.25Å; A589-D591 PolarHBondContact O-N 3.41Å; D591-R596 PolarHBondContact O-NE 3.42Å; D591-R596 PolarHBondContact O-NH2 2.63Å
592	V	89.6	Confident	84.4	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-105.6	-28.9	-172.4	-174.1	0	0	0	0	112.6	A589 A590 M705 V732 D736 H740	A589-V592 PolarHBondContact O-N 2.8Å; A590-V592 VanDerWaalsContact C-N 3.3Å; A590-V592 PolarHBondContact O-N 2.92Å; V592-M705 HydrophobicContact CB-CE 4.34Å; V592-M705 HydrophobicContact CB-SD 3.97Å; V592-M705 HydrophobicContact CG1-CE 4.37Å; V592-M705 HydrophobicContact CG2-CE 3.67Å; V592-M705 HydrophobicContact CG2-CG 4.07Å; V592-M705 HydrophobicContact CG2-SD 3.43Å; V592-M705 WeakPolarHBondContact CG2-SD 3.35Å; V592-V732 HydrophobicContact CG1-CG1 4.17Å; V592-D736 HydrophobicContact CG1-CB 4.03Å; V592-H740 HydrophobicContact CG1-CB 4.1Å; V592-H740 HydrophobicContact CG2-CB 3.94Å; V592-H740 VanDerWaalsContact CG2-CD2 3.4Å; V592-H740 WeakPolarHBondContact CG2-CD2 3.37Å; V592-H740 VanDerWaalsContact CG2-CG 3.43Å
593	M	91.7	Very high	85.5	Confident	28 Å²	28	68.5 Å²	68.5	14%	0.138	39%	0.386	C	S	.	.	S	Bend	trans	-59.2	150.6	-176.5	72.7	176.2	-179.2	0	0	113.1	A589 A590 R596 V722 L729 V732	A589-M593 WeakPolarHBondContact O-CB 3.45Å; A589-M593 PolarHBondContact O-N 3.07Å; A590-M593 HydrophobicContact CB-CE 4.29Å; M593-R596 WeakPolarHBondContact O-CG 3.49Å; M593-V722 HydrophobicContact CB-CB 4.42Å; M593-V722 HydrophobicContact CB-CG2 3.89Å; M593-V722 HydrophobicContact SD-CB 3.84Å; M593-V722 HydrophobicContact SD-CG1 3.63Å; M593-V722 HydrophobicContact SD-CG2 4.28Å; M593-L729 HydrophobicContact CE-CB 4.17Å; M593-L729 HydrophobicContact CE-CD1 4.49Å; M593-L729 HydrophobicContact SD-CB 4.02Å; M593-V732 HydrophobicContact CB-CG2 3.81Å
594	R	90.1	Very high	86.4	Confident	79 Å²	79	68.5 Å²	68.5	30%	0.298	39%	0.388	S	S	.	.	B	Isolated β-bridge	trans	-109.7	139.3	169.2	-66.1	-68.9	-176.5	167.5	0.1	109.8	D599 G730 I731	R594-D599 WeakPolarHBondContact CD-OD2 2.79Å; R594-D599 IonicContact CZ-OD2 3.72Å; R594-D599 IonicContact NE-OD2 3.65Å; R594-D599 IonicContact NH1-OD1 2.69Å; R594-D599 PolarHBondContact NH1-OD1 3.44Å; R594-D599 IonicContact NH1-OD2 3.2Å; R594-D599 PolarHBondContact NH1-OD2 3.37Å; R594-G730 CarbonylContact O-C 3.51Å; R594-G730 WeakPolarHBondContact O-CA 3.48Å; R594-I731 PolarHBondContact N-O 3.25Å; R594-I731 PolarHBondContact O-N 3.34Å
595	P	90.3	Very high	87.2	Confident	31 Å²	31	62.4 Å²	62.4	20%	0.201	36%	0.357	C	S	.	.	S	Bend	cis	-76.2	144.5	-0.3	31.5	-36.8	0	0	0	113	D599 P600 L602	P595-D599 HydrophobicContact CB-CB 3.66Å; P595-P600 WeakPolarHBondContact CB-O 3.43Å; P595-L602 HydrophobicContact CG-CB 4.43Å
596	R	83.2	Confident	87.9	Confident	67 Å²	67	60.1 Å²	60.1	25%	0.253	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-82.9	163.1	164.6	-68.1	-179.3	173.9	178.3	-4.7	109.9	D591 M593 G598 D599	D591-R596 PolarHBondContact O-NE 3.42Å; D591-R596 PolarHBondContact O-NH2 2.63Å; M593-R596 WeakPolarHBondContact O-CG 3.49Å; R596-G598 PolarHBondContact O-N 3.38Å; R596-D599 WeakPolarHBondContact CB-OD2 3.44Å; R596-D599 PolarHBondContact N-OD2 3.34Å; R596-D599 WeakPolarHBondContact O-CB 3.28Å; R596-D599 PolarHBondContact O-N 3.01Å
597	P	77.8	Confident	88.3	Confident	138 Å²	138	54.1 Å²	54.1	90%	0.896	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	116.3	171.1	-24.9	34.5	0	0	0	110.9
598	G	76.7	Confident	88.2	Confident	85 Å²	85	57 Å²	57	88%	0.876	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	102	-14.7	-176.6	0	0	0	0	0	115.7	R596	R596-G598 PolarHBondContact O-N 3.38Å
599	D	83.3	Confident	87.9	Confident	54 Å²	54	58 Å²	58	29%	0.289	34%	0.344	S	S	.	.	S	Bend	trans	-74.3	156.4	171.9	-74.9	-24.6	0	0	0	111.7	R594 P595 R596	R594-D599 WeakPolarHBondContact CD-OD2 2.79Å; R594-D599 IonicContact CZ-OD2 3.72Å; R594-D599 IonicContact NE-OD2 3.65Å; R594-D599 IonicContact NH1-OD1 2.69Å; R594-D599 PolarHBondContact NH1-OD1 3.44Å; R594-D599 IonicContact NH1-OD2 3.2Å; R594-D599 PolarHBondContact NH1-OD2 3.37Å; P595-D599 HydrophobicContact CB-CB 3.66Å; R596-D599 WeakPolarHBondContact CB-OD2 3.44Å; R596-D599 PolarHBondContact N-OD2 3.34Å; R596-D599 WeakPolarHBondContact O-CB 3.28Å; R596-D599 PolarHBondContact O-N 3.01Å
600	P	83.6	Confident	87.9	Confident	107 Å²	107	59.9 Å²	59.9	70%	0.695	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-59.3	145	170.1	25.8	-34.8	0	0	0	111.3	P595	P595-P600 WeakPolarHBondContact CB-O 3.43Å
601	P	85.4	Confident	87.9	Confident	103 Å²	103	59.6 Å²	59.6	67%	0.669	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-60.4	149.3	-176.2	25.4	-34.8	0	0	0	112.1	R603	P601-R603 PolarHBondContact O-N 2.67Å
602	L	89.2	Confident	88	Confident	46 Å²	46	56.1 Å²	56.1	24%	0.241	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-59	127.3	177	-167.7	62.9	0	0	0	110	P595 V604 P628 L728 I731	P595-L602 HydrophobicContact CG-CB 4.43Å; L602-V604 HydrophobicContact CB-CG1 4.31Å; L602-V604 HydrophobicContact CD2-CG1 4.17Å; L602-V604 HydrophobicContact CG-CG1 4.13Å; L602-V604 PolarHBondContact O-N 3.25Å; L602-P628 HydrophobicContact CD2-CG 4.06Å; L602-L728 HydrophobicContact CD2-CD2 3.78Å; L602-L728 HydrophobicContact CD2-CG 4.17Å; L602-I731 HydrophobicContact CD1-CB 4.43Å; L602-I731 HydrophobicContact CD1-CG2 3.66Å
603	R	91.2	Very high	88.1	Confident	151 Å²	151	57.1 Å²	57.1	57%	0.57	34%	0.34	S	S	*	.			trans	-74.7	110.2	173.1	-66.1	-65.5	-174	164.5	0.3	109.4	P601 L618 T622	P601-R603 PolarHBondContact O-N 2.67Å; R603-L618 HydrophobicContact CB-CD1 4.23Å; R603-L618 HydrophobicContact CG-CD1 4.39Å; R603-T622 HydrophobicContact CG-CG2 4.35Å
604	V	92.7	Very high	88.2	Confident	24 Å²	24	59.5 Å²	59.5	15%	0.145	35%	0.353	C	S	.	.			trans	-115.4	159.4	179.1	-52.4	0	0	0	0	110.4	L602 P628 V630 M633 L728	L602-V604 HydrophobicContact CB-CG1 4.31Å; L602-V604 HydrophobicContact CD2-CG1 4.17Å; L602-V604 HydrophobicContact CG-CG1 4.13Å; L602-V604 PolarHBondContact O-N 3.25Å; V604-P628 HydrophobicContact CB-CG 4.39Å; V604-P628 HydrophobicContact CG1-CG 3.9Å; V604-V630 HydrophobicContact CB-CG1 4.32Å; V604-V630 HydrophobicContact CB-CG2 4.11Å; V604-V630 HydrophobicContact CG1-CG1 4.47Å; V604-V630 HydrophobicContact CG2-CG2 3.74Å; V604-M633 HydrophobicContact CG2-CE 4.49Å; V604-M633 HydrophobicContact CG2-SD 3.72Å; V604-L728 HydrophobicContact CG1-CD2 3.92Å
605	I	93.3	Very high	88.2	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	120.4	173.8	-61.4	175	0	0	0	107.8	M610 L618 F627 P628 V629 V630 V642 L647 F669	I605-M610 HydrophobicContact CG2-SD 4.12Å; I605-L618 HydrophobicContact CD1-CD2 3.97Å; I605-L618 HydrophobicContact CG1-CD2 3.76Å; I605-F627 HydrophobicContact CD1-CB 3.69Å; I605-F627 HydrophobicContact CD1-CD2 4.15Å; I605-F627 HydrophobicContact CD1-CG 3.99Å; I605-F627 HydrophobicContact CG1-CB 3.98Å; I605-F627 HydrophobicContact CG1-CG 4.44Å; I605-P628 PolarHBondContact N-O 3.19Å; I605-V629 HydrophobicContact CB-CG2 4.38Å; I605-V629 CarbonylContact O-C 3.48Å; I605-V629 WeakPolarHBondContact O-CA 3.14Å; I605-V629 WeakPolarHBondContact O-CG1 3.3Å; I605-V630 PolarHBondContact O-N 2.85Å; I605-V642 HydrophobicContact CD1-CG1 4.04Å; I605-L647 HydrophobicContact CD1-CD2 3.98Å; I605-F669 HydrophobicContact CG2-CD2 4.23Å; I605-F669 HydrophobicContact CG2-CE2 3.63Å; I605-F669 HydrophobicContact CG2-CZ 4.41Å
606	P	93	Very high	88.3	Confident	12 Å²	12	57.2 Å²	57.2	8%	0.078	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	150.6	172.1	30.9	-34.4	0	0	0	110.1	E608 M610 V630	P606-E608 WeakPolarHBondContact CB-O 3.29Å; P606-E608 WeakPolarHBondContact CG-O 3.35Å; P606-E608 PolarHBondContact O-N 3.26Å; P606-E608 VanDerWaalsContact O-N 3.16Å; P606-M610 HydrophobicContact CG-CE 4.36Å; P606-M610 HydrophobicContact CG-CG 3.91Å; P606-M610 HydrophobicContact CG-SD 4.32Å; P606-V630 CarbonylContact C-O 3.46Å; P606-V630 WeakPolarHBondContact CA-O 3.37Å
607	Q	91.1	Very high	88.8	Confident	43 Å²	43	57.5 Å²	57.5	20%	0.201	35%	0.348	C	S	.	.	S	Bend	trans	-63.5	-22	-178.6	63	175.6	4.5	0	0	113.1	V629 V630 V631 F669	Q607-V629 HydrophobicContact CB-CG1 4.25Å; Q607-V630 PolarHBondContact N-O 3.15Å; Q607-V631 VanDerWaalsContact CG-O 3.32Å; Q607-V631 WeakPolarHBondContact CG-O 3.42Å; Q607-F669 HydrophobicContact CB-CB 4.29Å; Q607-F669 PolarHBondContact O-N 2.85Å
608	E	87.7	Confident	89.5	Confident	82 Å²	82	51.8 Å²	51.8	38%	0.383	31%	0.31	S	S	.	.	S	Bend	trans	-144.6	155	-178	-67	177.1	-174.4	0	0	109.6	P606 Y668 S670	P606-E608 WeakPolarHBondContact CB-O 3.29Å; P606-E608 WeakPolarHBondContact CG-O 3.35Å; P606-E608 PolarHBondContact O-N 3.26Å; P606-E608 VanDerWaalsContact O-N 3.16Å; E608-Y668 HydrophobicContact CG-CD1 3.73Å; E608-Y668 HydrophobicContact CG-CE1 4.08Å; E608-S670 WeakPolarHBondContact OE1-CB 3.42Å; E608-S670 PolarHBondContact OE1-OG 3.17Å
609	G	85.8	Confident	90.2	Very high	61 Å²	61	48.6 Å²	48.6	63%	0.629	27%	0.272	S	S	*	.	S	Bend	trans	100.5	-14.7	170.5	0	0	0	0	0	116.5
610	M	90.7	Very high	90.5	Very high	39 Å²	39	55 Å²	55	19%	0.192	29%	0.292	C	S	.	.			trans	-87.8	139.4	171.4	-78.2	-170.3	168.7	0	0	111.6	I605 P606 D614 I615 V667	I605-M610 HydrophobicContact CG2-SD 4.12Å; P606-M610 HydrophobicContact CG-CE 4.36Å; P606-M610 HydrophobicContact CG-CG 3.91Å; P606-M610 HydrophobicContact CG-SD 4.32Å; M610-D614 HydrophobicContact CB-CB 4.3Å; M610-D614 HydrophobicContact CG-CB 4.36Å; M610-I615 HydrophobicContact CB-CG1 4.32Å; M610-I615 HydrophobicContact SD-CG1 4.46Å; M610-V667 PolarHBondContact O-N 3.45Å
611	T	91.7	Very high	90.9	Very high	28 Å²	28	54.3 Å²	54.3	17%	0.172	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-83.6	165.4	170.9	66.3	0	0	0	0	111.5	G613 D614 I615 S665	T611-G613 PolarHBondContact O-N 3.47Å; T611-G613 PolarHBondContact OG1-N 2.97Å; T611-D614 WeakPolarHBondContact CB-OD2 3.41Å; T611-D614 PolarHBondContact N-OD2 3.48Å; T611-D614 PolarHBondContact O-N 3.46Å; T611-D614 PolarHBondContact OG1-N 2.85Å; T611-D614 VanDerWaalsContact OG1-N 3.15Å; T611-D614 PolarHBondContact OG1-OD2 3.42Å; T611-I615 PolarHBondContact O-N 3.43Å; T611-S665 CarbonylContact C-O 3.5Å; T611-S665 WeakPolarHBondContact CA-O 3.38Å
612	V	90.6	Very high	91.1	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-57.9	-38.5	171.5	172	0	0	0	0	110.7	I615 E616 I651 V661 T663 S665 V667 L686	V612-I615 PolarHBondContact O-N 3.44Å; V612-E616 HydrophobicContact CG1-CG 4.38Å; V612-E616 WeakPolarHBondContact O-CG 3.48Å; V612-E616 PolarHBondContact O-N 3.2Å; V612-I651 HydrophobicContact CG1-CG2 3.74Å; V612-V661 HydrophobicContact CG2-CG1 4.3Å; V612-T663 CarbonylContact C-O 3.59Å; V612-T663 PolarHBondContact N-O 3.18Å; V612-S665 WeakPolarHBondContact CG2-O 3.46Å; V612-S665 PolarHBondContact N-O 3.08Å; V612-V667 HydrophobicContact CB-CG2 4.47Å; V612-V667 HydrophobicContact CG2-CG2 3.64Å; V612-L686 HydrophobicContact CG2-CB 4.43Å; V612-L686 HydrophobicContact CG2-CD2 3.76Å
613	G	91.2	Very high	91	Very high	21 Å²	21	58.8 Å²	58.8	22%	0.216	29%	0.291	C	S	.	.	H	α-helix	trans	-60.4	-44.1	176	0	0	0	0	0	112.6	T611 I615 E616 E617 T663	T611-G613 PolarHBondContact O-N 3.47Å; T611-G613 PolarHBondContact OG1-N 2.97Å; G613-I615 VanDerWaalsContact C-N 3.32Å; G613-I615 PolarHBondContact O-N 2.8Å; G613-E616 PolarHBondContact O-N 3.14Å; G613-E617 WeakPolarHBondContact O-CB 3.22Å; G613-E617 PolarHBondContact O-N 2.95Å; G613-T663 PolarHBondContact N-O 2.91Å
614	D	92.7	Very high	90.8	Very high	78 Å²	78	56.7 Å²	56.7	42%	0.417	29%	0.287	S	S	.	.	H	α-helix	trans	-62.5	-41	177.3	-59.3	-41.7	0	0	0	111.9	M610 T611 E617 L618	M610-D614 HydrophobicContact CB-CB 4.3Å; M610-D614 HydrophobicContact CG-CB 4.36Å; T611-D614 WeakPolarHBondContact CB-OD2 3.41Å; T611-D614 PolarHBondContact N-OD2 3.48Å; T611-D614 PolarHBondContact O-N 3.46Å; T611-D614 PolarHBondContact OG1-N 2.85Å; T611-D614 VanDerWaalsContact OG1-N 3.15Å; T611-D614 PolarHBondContact OG1-OD2 3.42Å; D614-E617 PolarHBondContact O-N 3.48Å; D614-L618 WeakPolarHBondContact O-CB 3.44Å; D614-L618 PolarHBondContact O-N 3.48Å
615	I	92.1	Very high	90.4	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-67.9	-42.8	177	-64	-173.7	0	0	0	110.8	M610 T611 V612 G613 E617 L618 L619 L647 I651 V667 F669	M610-I615 HydrophobicContact CB-CG1 4.32Å; M610-I615 HydrophobicContact SD-CG1 4.46Å; T611-I615 PolarHBondContact O-N 3.43Å; V612-I615 PolarHBondContact O-N 3.44Å; G613-I615 VanDerWaalsContact C-N 3.32Å; G613-I615 PolarHBondContact O-N 2.8Å; I615-E617 VanDerWaalsContact C-N 3.29Å; I615-E617 PolarHBondContact O-N 3.17Å; I615-L618 WeakPolarHBondContact O-CB 3.47Å; I615-L618 PolarHBondContact O-N 3.3Å; I615-L619 HydrophobicContact CG2-CD1 4.33Å; I615-L619 HydrophobicContact CG2-CG 4.32Å; I615-L619 WeakPolarHBondContact O-CB 3.18Å; I615-L619 VanDerWaalsContact O-CG 3.24Å; I615-L619 WeakPolarHBondContact O-CG 3.49Å; I615-L619 PolarHBondContact O-N 2.88Å; I615-L647 HydrophobicContact CD1-CD1 4.44Å; I615-L647 HydrophobicContact CG2-CD1 4.15Å; I615-L647 HydrophobicContact CG2-CD2 3.4Å; I615-L647 HydrophobicContact CG2-CG 3.73Å; I615-I651 HydrophobicContact CB-CD1 4.33Å; I615-I651 HydrophobicContact CG2-CD1 3.67Å; I615-V667 HydrophobicContact CD1-CB 3.86Å; I615-V667 HydrophobicContact CD1-CG1 3.74Å; I615-V667 HydrophobicContact CD1-CG2 3.78Å; I615-F669 HydrophobicContact CD1-CE2 4.4Å
616	E	92.2	Very high	90.2	Very high	63 Å²	63	59.8 Å²	59.8	29%	0.294	31%	0.306	S	S	.	.	H	α-helix	trans	-61.3	-39.9	175.4	-74.8	-174.6	145.1	0	0	111.7	V612 G613 L619 R620 I651 R655	V612-E616 HydrophobicContact CG1-CG 4.38Å; V612-E616 WeakPolarHBondContact O-CG 3.48Å; V612-E616 PolarHBondContact O-N 3.2Å; G613-E616 PolarHBondContact O-N 3.14Å; E616-L619 CarbonylContact O-C 3.57Å; E616-L619 PolarHBondContact O-N 2.81Å; E616-R620 WeakPolarHBondContact O-CB 3.28Å; E616-R620 PolarHBondContact O-N 2.81Å; E616-I651 HydrophobicContact CG-CG2 4.47Å; E616-R655 VanDerWaalsContact CD-NH2 3.29Å; E616-R655 IonicContact OE1-CZ 3.18Å; E616-R655 IonicContact OE1-NH1 2.72Å; E616-R655 PolarHBondContact OE1-NH1 2.91Å; E616-R655 IonicContact OE1-NH2 3.81Å; E616-R655 PolarHBondContact OE1-NH2 2.94Å; E616-R655 IonicContact OE2-CZ 3.41Å; E616-R655 IonicContact OE2-NH1 3.31Å; E616-R655 PolarHBondContact OE2-NH1 3.27Å; E616-R655 IonicContact OE2-NH2 2.77Å; E616-R655 PolarHBondContact OE2-NH2 3.37Å
617	E	93.2	Very high	90.2	Very high	72 Å²	72	59.2 Å²	59.2	34%	0.336	30%	0.302	S	S	.	.	H	α-helix	trans	-65.1	-43.9	175.2	-169.5	56	-138.4	0	0	111.6	G613 D614 I615 L619 R620 C621	G613-E617 WeakPolarHBondContact O-CB 3.22Å; G613-E617 PolarHBondContact O-N 2.95Å; D614-E617 PolarHBondContact O-N 3.48Å; I615-E617 VanDerWaalsContact C-N 3.29Å; I615-E617 PolarHBondContact O-N 3.17Å; E617-L619 VanDerWaalsContact C-N 3.28Å; E617-L619 PolarHBondContact O-N 3.46Å; E617-R620 PolarHBondContact O-N 3.01Å; E617-R620 VanDerWaalsContact O-N 3.08Å; E617-R620 IonicContact OE1-CZ 3.27Å; E617-R620 IonicContact OE1-NE 3.89Å; E617-R620 PolarHBondContact OE1-NE 3.2Å; E617-R620 VanDerWaalsContact OE1-NE 3.09Å; E617-R620 IonicContact OE1-NH2 3.33Å; E617-R620 PolarHBondContact OE1-NH2 3.44Å; E617-R620 IonicContact OE2-CZ 2.71Å; E617-R620 IonicContact OE2-NE 2.78Å; E617-R620 PolarHBondContact OE2-NE 2.58Å; E617-R620 VanDerWaalsContact OE2-NE 3.13Å; E617-R620 IonicContact OE2-NH1 2.75Å; E617-R620 IonicContact OE2-NH2 3.02Å; E617-R620 PolarHBondContact OE2-NH2 3.3Å; E617-C621 WeakPolarHBondContact O-CB 3.47Å; E617-C621 PolarHBondContact O-N 3.34Å; E617-C621 PolarHBondContact OE1-SG 2.85Å
618	L	92	Very high	90.4	Very high	19 Å²	19	57.3 Å²	57.3	10%	0.099	29%	0.294	C	S	.	.	H	α-helix	trans	-57.6	-43.5	173.2	179	68	0	0	0	111.1	R603 I605 D614 I615 R620 T622 F627	R603-L618 HydrophobicContact CB-CD1 4.23Å; R603-L618 HydrophobicContact CG-CD1 4.39Å; I605-L618 HydrophobicContact CD1-CD2 3.97Å; I605-L618 HydrophobicContact CG1-CD2 3.76Å; D614-L618 WeakPolarHBondContact O-CB 3.44Å; D614-L618 PolarHBondContact O-N 3.48Å; I615-L618 WeakPolarHBondContact O-CB 3.47Å; I615-L618 PolarHBondContact O-N 3.3Å; L618-R620 VanDerWaalsContact C-N 3.3Å; L618-R620 PolarHBondContact O-N 3.25Å; L618-T622 HydrophobicContact CD1-CG2 3.97Å; L618-T622 WeakPolarHBondContact O-CB 3.48Å; L618-T622 WeakPolarHBondContact O-CG2 3.38Å; L618-T622 PolarHBondContact O-N 3.11Å; L618-T622 VanDerWaalsContact O-N 3.08Å; L618-T622 PolarHBondContact O-OG1 3.43Å; L618-F627 HydrophobicContact CD1-CE1 4.28Å; L618-F627 HydrophobicContact CD2-CD1 4.08Å; L618-F627 HydrophobicContact CD2-CE1 4.06Å; L618-F627 HydrophobicContact CD2-CG 4.43Å; L618-F627 HydrophobicContact CD2-CZ 4.4Å; L618-F627 HydrophobicContact CG-CE1 4.06Å; L618-F627 HydrophobicContact CG-CZ 4.29Å
619	L	91.1	Very high	90.7	Very high	18 Å²	18	53.4 Å²	53.4	9%	0.094	28%	0.276	C	S	.	.	H	α-helix	trans	-69	-26.1	177.4	-70.5	-173.5	0	0	0	113	I615 E616 E617 F627 R644 L647	I615-L619 HydrophobicContact CG2-CD1 4.33Å; I615-L619 HydrophobicContact CG2-CG 4.32Å; I615-L619 WeakPolarHBondContact O-CB 3.18Å; I615-L619 VanDerWaalsContact O-CG 3.24Å; I615-L619 WeakPolarHBondContact O-CG 3.49Å; I615-L619 PolarHBondContact O-N 2.88Å; E616-L619 CarbonylContact O-C 3.57Å; E616-L619 PolarHBondContact O-N 2.81Å; E617-L619 VanDerWaalsContact C-N 3.28Å; E617-L619 PolarHBondContact O-N 3.46Å; L619-F627 HydrophobicContact CD2-CE2 3.6Å; L619-F627 HydrophobicContact CD2-CZ 4.05Å; L619-R644 HydrophobicContact CD2-CB 4.24Å; L619-R644 HydrophobicContact CD2-CG 3.65Å; L619-R644 PolarHBondContact O-NH2 3.28Å; L619-L647 HydrophobicContact CD1-CD2 4.33Å; L619-L647 HydrophobicContact CD1-CG 4.38Å; L619-L647 HydrophobicContact CD2-CD2 4.21Å; L619-L647 HydrophobicContact CG-CD2 4.43Å
620	R	91.2	Very high	91.1	Very high	188 Å²	188	50.5 Å²	50.5	71%	0.709	25%	0.246	S	C	*	.	H	α-helix	trans	-80.2	-44.7	175.8	-171.8	176	72.7	167.6	6.4	111.8	E616 E617 L618	E616-R620 WeakPolarHBondContact O-CB 3.28Å; E616-R620 PolarHBondContact O-N 2.81Å; E617-R620 PolarHBondContact O-N 3.01Å; E617-R620 VanDerWaalsContact O-N 3.08Å; E617-R620 IonicContact OE1-CZ 3.27Å; E617-R620 IonicContact OE1-NE 3.89Å; E617-R620 PolarHBondContact OE1-NE 3.2Å; E617-R620 VanDerWaalsContact OE1-NE 3.09Å; E617-R620 IonicContact OE1-NH2 3.33Å; E617-R620 PolarHBondContact OE1-NH2 3.44Å; E617-R620 IonicContact OE2-CZ 2.71Å; E617-R620 IonicContact OE2-NE 2.78Å; E617-R620 PolarHBondContact OE2-NE 2.58Å; E617-R620 VanDerWaalsContact OE2-NE 3.13Å; E617-R620 IonicContact OE2-NH1 2.75Å; E617-R620 IonicContact OE2-NH2 3.02Å; E617-R620 PolarHBondContact OE2-NH2 3.3Å; L618-R620 VanDerWaalsContact C-N 3.3Å; L618-R620 PolarHBondContact O-N 3.25Å
621	C	92	Very high	91.1	Very high	92 Å²	92	51.3 Å²	51.3	62%	0.622	25%	0.252	S	S	*	.	H	α-helix	trans	-72.5	-25.5	-178.4	-76	0	0	0	0	113.5	E617	E617-C621 WeakPolarHBondContact O-CB 3.47Å; E617-C621 PolarHBondContact O-N 3.34Å; E617-C621 PolarHBondContact OE1-SG 2.85Å
622	T	89.3	Confident	91	Very high	13 Å²	13	51.4 Å²	51.4	8%	0.08	26%	0.255	C	S	.	.			trans	-113.7	148.8	-173.9	68.2	0	0	0	0	113.5	R603 L618 F627 R644	R603-T622 HydrophobicContact CG-CG2 4.35Å; L618-T622 HydrophobicContact CD1-CG2 3.97Å; L618-T622 WeakPolarHBondContact O-CB 3.48Å; L618-T622 WeakPolarHBondContact O-CG2 3.38Å; L618-T622 PolarHBondContact O-N 3.11Å; L618-T622 VanDerWaalsContact O-N 3.08Å; L618-T622 PolarHBondContact O-OG1 3.43Å; T622-F627 WeakPolarHBondContact OG1-CZ 3.38Å; T622-R644 PolarHBondContact O-NH1 3.38Å; T622-R644 PolarHBondContact O-NH2 2.99Å
623	R	86.3	Confident	90.9	Very high	231 Å²	231	57.3 Å²	57.3	87%	0.872	28%	0.283	S	S	*	.			trans	-100.2	3.8	172.3	-64.5	-175.3	-178.7	-179.2	1.6	113.2
624	H	86.9	Confident	90.6	Very high	107 Å²	107	63.2 Å²	63.2	50%	0.495	31%	0.31	S	S	.	.			trans	-63.9	152.7	-179.4	-56.1	-53	0	0	0	111.7	F627 R644	H624-F627 HydrophobicContact CB-CE1 4.05Å; H624-F627 HydrophobicContact CB-CZ 4.18Å; H624-R644 WeakPolarHBondContact O-CD 3.35Å
625	N	84.6	Confident	90.4	Very high	75 Å²	75	64.9 Å²	64.9	40%	0.401	32%	0.315	S	S	.	.	S	Bend	trans	-97.8	-7.1	-175.4	-73.4	-86.9	0	0	0	113.9	R644 R718	N625-R644 WeakPolarHBondContact O-CB 3.42Å; N625-R644 PolarHBondContact O-N 2.9Å; N625-R718 PolarHBondContact ND2-NH2 3.19Å; N625-R718 PolarHBondContact OD1-NH2 2.95Å
626	G	88.9	Confident	90.3	Very high	13 Å²	13	66.3 Å²	66.3	13%	0.134	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.1	165.6	176.6	0	0	0	0	0	110.4	V642	G626-V642 CarbonylContact C-O 3.44Å; G626-V642 WeakPolarHBondContact CA-O 3.26Å
627	F	93.3	Very high	90.3	Very high	1 Å²	1	66.2 Å²	66.2	0%	0.004	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	135.5	-172.1	-54.1	-85.6	0	0	0	109	I605 L618 L619 T622 H624 V642 R644	I605-F627 HydrophobicContact CD1-CB 3.69Å; I605-F627 HydrophobicContact CD1-CD2 4.15Å; I605-F627 HydrophobicContact CD1-CG 3.99Å; I605-F627 HydrophobicContact CG1-CB 3.98Å; I605-F627 HydrophobicContact CG1-CG 4.44Å; L618-F627 HydrophobicContact CD1-CE1 4.28Å; L618-F627 HydrophobicContact CD2-CD1 4.08Å; L618-F627 HydrophobicContact CD2-CE1 4.06Å; L618-F627 HydrophobicContact CD2-CG 4.43Å; L618-F627 HydrophobicContact CD2-CZ 4.4Å; L618-F627 HydrophobicContact CG-CE1 4.06Å; L618-F627 HydrophobicContact CG-CZ 4.29Å; L619-F627 HydrophobicContact CD2-CE2 3.6Å; L619-F627 HydrophobicContact CD2-CZ 4.05Å; T622-F627 WeakPolarHBondContact OG1-CZ 3.38Å; H624-F627 HydrophobicContact CB-CE1 4.05Å; H624-F627 HydrophobicContact CB-CZ 4.18Å; F627-V642 HydrophobicContact CB-CG1 4.33Å; F627-V642 PolarHBondContact N-O 3.3Å; F627-V642 PolarHBondContact O-N 2.97Å; F627-R644 HydrophobicContact CE2-CB 4.18Å
628	P	94.5	Very high	90.3	Very high	3 Å²	3	64.7 Å²	64.7	2%	0.019	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	142.7	169	31.9	-33.2	0	0	0	109.9	L602 V604 I605 L638 F641 L721 L728	L602-P628 HydrophobicContact CD2-CG 4.06Å; V604-P628 HydrophobicContact CB-CG 4.39Å; V604-P628 HydrophobicContact CG1-CG 3.9Å; I605-P628 PolarHBondContact N-O 3.19Å; P628-L638 HydrophobicContact CB-CD1 4.2Å; P628-F641 HydrophobicContact CB-CD2 4.31Å; P628-L721 HydrophobicContact CB-CD2 4.34Å; P628-L728 HydrophobicContact CB-CD2 3.51Å; P628-L728 HydrophobicContact CG-CD2 3.45Å; P628-L728 VanDerWaalsContact CG-CD2 3.45Å
629	V	93.7	Very high	90.3	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	128.1	175.8	-178.1	0	0	0	0	109.1	I605 Q607 V639 G640 V642 F669 L692	I605-V629 HydrophobicContact CB-CG2 4.38Å; I605-V629 CarbonylContact O-C 3.48Å; I605-V629 WeakPolarHBondContact O-CA 3.14Å; I605-V629 WeakPolarHBondContact O-CG1 3.3Å; Q607-V629 HydrophobicContact CB-CG1 4.25Å; V629-V639 HydrophobicContact CG1-CB 4.35Å; V629-V639 WeakPolarHBondContact O-CB 3.23Å; V629-V639 PolarHBondContact O-N 3.26Å; V629-G640 PolarHBondContact N-O 3.28Å; V629-G640 PolarHBondContact O-N 2.72Å; V629-V642 HydrophobicContact CG2-CB 4.36Å; V629-V642 HydrophobicContact CG2-CG1 3.9Å; V629-F669 HydrophobicContact CG1-CB 4.07Å; V629-F669 HydrophobicContact CG1-CD2 4.29Å; V629-F669 HydrophobicContact CG1-CG 4.18Å; V629-L692 HydrophobicContact CB-CD1 3.77Å; V629-L692 HydrophobicContact CB-CD2 4.48Å; V629-L692 HydrophobicContact CG1-CD1 4.48Å; V629-L692 HydrophobicContact CG2-CD1 3.4Å; V629-L692 VanDerWaalsContact CG2-CD1 3.4Å
630	V	94	Very high	90.4	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	161.9	-177	-64	0	0	0	0	111.7	V604 I605 P606 Q607 S632 A636 N637 L728	V604-V630 HydrophobicContact CB-CG1 4.32Å; V604-V630 HydrophobicContact CB-CG2 4.11Å; V604-V630 HydrophobicContact CG1-CG1 4.47Å; V604-V630 HydrophobicContact CG2-CG2 3.74Å; I605-V630 PolarHBondContact O-N 2.85Å; P606-V630 CarbonylContact C-O 3.46Å; P606-V630 WeakPolarHBondContact CA-O 3.37Å; Q607-V630 PolarHBondContact N-O 3.15Å; V630-S632 WeakPolarHBondContact CG2-O 3.28Å; V630-A636 HydrophobicContact CG1-CB 4.5Å; V630-N637 CarbonylContact C-O 3.54Å; V630-N637 WeakPolarHBondContact CA-O 3.43Å; V630-L728 HydrophobicContact CG1-CB 4.33Å; V630-L728 HydrophobicContact CG1-CD2 3.95Å
631	V	91.9	Very high	90.4	Very high	55 Å²	55	56.3 Å²	56.3	33%	0.333	29%	0.293	S	S	.	.	S	Bend	trans	-64	-45.6	-179.7	174.4	0	0	0	0	111.6	Q607 N637 V639	Q607-V631 VanDerWaalsContact CG-O 3.32Å; Q607-V631 WeakPolarHBondContact CG-O 3.42Å; V631-N637 HydrophobicContact CB-CB 4.43Å; V631-N637 HydrophobicContact CG2-CB 3.9Å; V631-N637 PolarHBondContact N-O 2.95Å; V631-V639 HydrophobicContact CB-CG2 4.37Å; V631-V639 HydrophobicContact CG2-CG2 3.53Å
632	S	90.1	Very high	90.3	Very high	31 Å²	31	52 Å²	52	22%	0.217	26%	0.263	C	S	.	.			trans	-158.6	172.4	174.2	58.3	0	0	0	0	109.4	V630 D634 H635 A636	V630-S632 WeakPolarHBondContact CG2-O 3.28Å; S632-D634 VanDerWaalsContact C-N 3.31Å; S632-H635 PolarHBondContact N-O 3.33Å; S632-H635 CarbonylContact O-C 3.52Å; S632-H635 VanDerWaalsContact O-O 3.07Å; S632-H635 WeakPolarHBondContact OG-CB 3.46Å; S632-H635 PolarHBondContact OG-N 2.86Å; S632-A636 PolarHBondContact O-N 3.02Å
633	M	86.8	Confident	90.3	Very high	123 Å²	123	52.3 Å²	52.3	61%	0.606	27%	0.266	S	S	*	.	S	Bend	trans	-68.8	-32.2	175.1	-62.6	-62.5	-106	0	0	111.8	V604	V604-M633 HydrophobicContact CG2-CE 4.49Å; V604-M633 HydrophobicContact CG2-SD 3.72Å
634	D	86.1	Confident	90.4	Very high	145 Å²	145	45.1 Å²	45.1	78%	0.775	24%	0.238	S	C	*	.	S	Bend	trans	-79.3	-37.1	178.3	-54.7	-44.8	0	0	0	112.1	S632	S632-D634 VanDerWaalsContact C-N 3.31Å
635	H	88.3	Confident	90.3	Very high	113 Å²	113	48.7 Å²	48.7	52%	0.523	25%	0.247	S	C	.	.	S	Bend	trans	-113.2	83.1	175.2	-56.3	-57	0	0	0	109.8	S632 N637	S632-H635 PolarHBondContact N-O 3.33Å; S632-H635 CarbonylContact O-C 3.52Å; S632-H635 VanDerWaalsContact O-O 3.07Å; S632-H635 WeakPolarHBondContact OG-CB 3.46Å; S632-H635 PolarHBondContact OG-N 2.86Å; H635-N637 PolarHBondContact O-N 3.42Å
636	A	89.4	Confident	90.4	Very high	31 Å²	31	46.6 Å²	46.6	26%	0.256	24%	0.236	S	C	.	.			trans	-69	34.6	180	0	0	0	0	0	114.2	V630 S632 L638 L728	V630-A636 HydrophobicContact CG1-CB 4.5Å; S632-A636 PolarHBondContact O-N 3.02Å; A636-L638 PolarHBondContact O-N 3.39Å; A636-L728 WeakPolarHBondContact O-CB 3.36Å; A636-L728 PolarHBondContact O-N 3.27Å
637	N	93.1	Very high	90.4	Very high	61 Å²	61	46 Å²	46	33%	0.326	23%	0.23	S	C	.	.	B	Isolated β-bridge	trans	-66.5	131.3	174.3	-69.6	-14	0	0	0	109.7	V630 V631 H635 V639 G726 K727	V630-N637 CarbonylContact C-O 3.54Å; V630-N637 WeakPolarHBondContact CA-O 3.43Å; V631-N637 HydrophobicContact CB-CB 4.43Å; V631-N637 HydrophobicContact CG2-CB 3.9Å; V631-N637 PolarHBondContact N-O 2.95Å; H635-N637 PolarHBondContact O-N 3.42Å; N637-V639 PolarHBondContact O-N 3.2Å; N637-G726 WeakPolarHBondContact CA-O 3.25Å; N637-K727 VanDerWaalsContact OD1-CG 3.23Å; N637-K727 WeakPolarHBondContact OD1-CG 3.45Å
638	L	93.4	Very high	90.2	Very high	40 Å²	40	48.4 Å²	48.4	21%	0.209	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	123.7	-176.1	179.4	64.2	0	0	0	111.4	P628 A636 G640 P696 L721 T723 G726 L728	P628-L638 HydrophobicContact CB-CD1 4.2Å; A636-L638 PolarHBondContact O-N 3.39Å; L638-G640 WeakPolarHBondContact CD1-O 3.3Å; L638-P696 HydrophobicContact CD2-CG 4.01Å; L638-P696 HydrophobicContact CG-CG 4.45Å; L638-L721 HydrophobicContact CD1-CD1 3.68Å; L638-L721 HydrophobicContact CD2-CB 4.32Å; L638-L721 HydrophobicContact CD2-CD1 3.62Å; L638-L721 HydrophobicContact CG-CD1 4.3Å; L638-T723 HydrophobicContact CB-CG2 4.42Å; L638-T723 HydrophobicContact CD2-CG2 3.9Å; L638-G726 PolarHBondContact N-O 2.76Å; L638-L728 HydrophobicContact CD1-CD1 4.43Å
639	V	92	Very high	89.8	Confident	37 Å²	37	53 Å²	53	22%	0.224	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	-38.6	174.8	-175.9	0	0	0	0	111	V629 V631 N637 L692	V629-V639 HydrophobicContact CG1-CB 4.35Å; V629-V639 WeakPolarHBondContact O-CB 3.23Å; V629-V639 PolarHBondContact O-N 3.26Å; V631-V639 HydrophobicContact CB-CG2 4.37Å; V631-V639 HydrophobicContact CG2-CG2 3.53Å; N637-V639 PolarHBondContact O-N 3.2Å; V639-L692 HydrophobicContact CG1-CD2 3.89Å
640	G	91.9	Very high	89.5	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.5	-163.8	179.2	0	0	0	0	0	113.5	V629 L638 N693	V629-G640 PolarHBondContact N-O 3.28Å; V629-G640 PolarHBondContact O-N 2.72Å; L638-G640 WeakPolarHBondContact CD1-O 3.3Å; G640-N693 CarbonylContact C-O 3.54Å; G640-N693 WeakPolarHBondContact CA-O 3.4Å
641	F	91.6	Very high	89.3	Confident	12 Å²	12	54.1 Å²	54.1	5%	0.053	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	135.4	179.5	-170.4	-90.7	0	0	0	111.8	P628 T643 N693 P696 Q719 L721 I731	P628-F641 HydrophobicContact CB-CD2 4.31Å; F641-T643 HydrophobicContact CE1-CG2 4.35Å; F641-N693 PolarHBondContact N-O 3.18Å; F641-N693 WeakPolarHBondContact O-CB 3.03Å; F641-N693 PolarHBondContact O-N 3.42Å; F641-P696 HydrophobicContact CB-CB 3.85Å; F641-P696 HydrophobicContact CB-CG 4.36Å; F641-Q719 HydrophobicContact CE2-CG 4.13Å; F641-Q719 HydrophobicContact CZ-CG 3.94Å; F641-L721 HydrophobicContact CD2-CD1 4.28Å; F641-L721 HydrophobicContact CD2-CD2 4.21Å; F641-L721 HydrophobicContact CE2-CD2 4.42Å; F641-I731 HydrophobicContact CE2-CD1 4.17Å
642	V	90.5	Very high	89.1	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	139	179.2	67.5	0	0	0	0	110.7	I605 G626 F627 V629 L647 F669 L692	I605-V642 HydrophobicContact CD1-CG1 4.04Å; G626-V642 CarbonylContact C-O 3.44Å; G626-V642 WeakPolarHBondContact CA-O 3.26Å; F627-V642 HydrophobicContact CB-CG1 4.33Å; F627-V642 PolarHBondContact N-O 3.3Å; F627-V642 PolarHBondContact O-N 2.97Å; V629-V642 HydrophobicContact CG2-CB 4.36Å; V629-V642 HydrophobicContact CG2-CG1 3.9Å; V642-L647 HydrophobicContact CG2-CB 4.37Å; V642-L647 HydrophobicContact CG2-CD1 4.4Å; V642-F669 HydrophobicContact CG2-CE1 4.5Å; V642-L692 HydrophobicContact CB-CD1 4.31Å
643	T	88.2	Confident	88.9	Confident	21 Å²	21	55.6 Å²	55.6	13%	0.129	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	147.5	177.5	79.7	0	0	0	0	111.7	R36 F641 R645 D646 L647	R36-T643 VanDerWaalsContact NH1-CG2 3.28Å; R36-T643 PolarHBondContact NH1-OG1 3.17Å; F641-T643 HydrophobicContact CE1-CG2 4.35Å; T643-R645 VanDerWaalsContact C-N 3.25Å; T643-R645 PolarHBondContact O-N 2.95Å; T643-D646 PolarHBondContact O-N 3.18Å; T643-D646 WeakPolarHBondContact OG1-CB 3.44Å; T643-D646 PolarHBondContact OG1-N 3.44Å; T643-D646 PolarHBondContact OG1-OD2 3.25Å; T643-L647 WeakPolarHBondContact O-CB 3.44Å; T643-L647 PolarHBondContact O-N 3.29Å
644	R	90.1	Very high	88.9	Confident	79 Å²	79	50.2 Å²	50.2	30%	0.298	27%	0.27	S	S	.	.	H	α-helix	trans	-55.5	-40.6	177.3	171.8	161.2	-171.6	-154.8	12.1	112.5	L619 T622 H624 N625 F627 L647 S648	L619-R644 HydrophobicContact CD2-CB 4.24Å; L619-R644 HydrophobicContact CD2-CG 3.65Å; L619-R644 PolarHBondContact O-NH2 3.28Å; T622-R644 PolarHBondContact O-NH1 3.38Å; T622-R644 PolarHBondContact O-NH2 2.99Å; H624-R644 WeakPolarHBondContact O-CD 3.35Å; N625-R644 WeakPolarHBondContact O-CB 3.42Å; N625-R644 PolarHBondContact O-N 2.9Å; F627-R644 HydrophobicContact CE2-CB 4.18Å; R644-L647 PolarHBondContact O-N 3.12Å; R644-S648 WeakPolarHBondContact O-CB 3.42Å; R644-S648 PolarHBondContact O-N 2.96Å; R644-S648 PolarHBondContact O-OG 2.03Å
645	R	84.7	Confident	88.8	Confident	182 Å²	182	47.9 Å²	47.9	69%	0.687	25%	0.251	S	S	*	.	H	α-helix	trans	-67.7	-41.8	-179	-175.7	179.7	-179.4	173.2	3.3	112.2	T643 L647 S648 L649	T643-R645 VanDerWaalsContact C-N 3.25Å; T643-R645 PolarHBondContact O-N 2.95Å; R645-L647 VanDerWaalsContact C-N 3.33Å; R645-S648 PolarHBondContact O-OG 3.27Å; R645-S648 VanDerWaalsContact O-OG 3.1Å; R645-L649 HydrophobicContact CG-CD1 4.01Å; R645-L649 WeakPolarHBondContact O-CB 3.25Å; R645-L649 VanDerWaalsContact O-CG 3.25Å; R645-L649 WeakPolarHBondContact O-CG 3.48Å; R645-L649 PolarHBondContact O-N 2.96Å
646	D	85.7	Confident	88.7	Confident	32 Å²	32	51.2 Å²	51.2	17%	0.171	26%	0.264	C	S	.	.	H	α-helix	trans	-68.9	-39.4	178.5	-65	-32	0	0	0	110.8	R36 T643 A650 L691	R36-D646 IonicContact CZ-OD1 3.45Å; R36-D646 IonicContact CZ-OD2 2.65Å; R36-D646 IonicContact NH1-OD1 2.6Å; R36-D646 IonicContact NH1-OD2 2.8Å; R36-D646 PolarHBondContact NH1-OD2 3.48Å; R36-D646 IonicContact NH2-OD1 2.69Å; R36-D646 PolarHBondContact NH2-OD1 2.94Å; R36-D646 IonicContact NH2-OD2 3.01Å; R36-D646 PolarHBondContact NH2-OD2 3.06Å; T643-D646 PolarHBondContact O-N 3.18Å; T643-D646 WeakPolarHBondContact OG1-CB 3.44Å; T643-D646 PolarHBondContact OG1-N 3.44Å; T643-D646 PolarHBondContact OG1-OD2 3.25Å; D646-A650 WeakPolarHBondContact O-CB 3.37Å; D646-A650 PolarHBondContact O-N 3.38Å; D646-L691 HydrophobicContact CB-CD2 4.24Å
647	L	89	Confident	88.4	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62.3	-48.7	176.9	-165.3	60.5	0	0	0	111.3	I605 I615 L619 V642 T643 R644 R645 A650 I651 F669 L688	I605-L647 HydrophobicContact CD1-CD2 3.98Å; I615-L647 HydrophobicContact CD1-CD1 4.44Å; I615-L647 HydrophobicContact CG2-CD1 4.15Å; I615-L647 HydrophobicContact CG2-CD2 3.4Å; I615-L647 HydrophobicContact CG2-CG 3.73Å; L619-L647 HydrophobicContact CD1-CD2 4.33Å; L619-L647 HydrophobicContact CD1-CG 4.38Å; L619-L647 HydrophobicContact CD2-CD2 4.21Å; L619-L647 HydrophobicContact CG-CD2 4.43Å; V642-L647 HydrophobicContact CG2-CB 4.37Å; V642-L647 HydrophobicContact CG2-CD1 4.4Å; T643-L647 WeakPolarHBondContact O-CB 3.44Å; T643-L647 PolarHBondContact O-N 3.29Å; R644-L647 PolarHBondContact O-N 3.12Å; R645-L647 VanDerWaalsContact C-N 3.33Å; L647-A650 PolarHBondContact O-N 3.49Å; L647-I651 HydrophobicContact CD1-CD1 4.39Å; L647-I651 HydrophobicContact CG-CD1 4.13Å; L647-I651 VanDerWaalsContact O-CG1 3.28Å; L647-I651 WeakPolarHBondContact O-CG1 2.85Å; L647-I651 PolarHBondContact O-N 3.14Å; L647-F669 HydrophobicContact CD1-CZ 4.06Å; L647-L688 HydrophobicContact CD1-CD1 3.74Å
648	S	88.9	Confident	87.8	Confident	52 Å²	52	55.3 Å²	55.3	36%	0.364	28%	0.283	S	S	.	.	H	α-helix	trans	-65.8	-41.2	179.2	65.7	0	0	0	0	113	R644 R645 A652	R644-S648 WeakPolarHBondContact O-CB 3.42Å; R644-S648 PolarHBondContact O-N 2.96Å; R644-S648 PolarHBondContact O-OG 2.03Å; R645-S648 PolarHBondContact O-OG 3.27Å; R645-S648 VanDerWaalsContact O-OG 3.1Å; S648-A652 VanDerWaalsContact O-CB 3.27Å; S648-A652 WeakPolarHBondContact O-CB 2.94Å; S648-A652 PolarHBondContact O-N 3.17Å
649	L	86.1	Confident	86.8	Confident	100 Å²	100	62.6 Å²	62.6	52%	0.524	32%	0.316	S	S	.	.	H	α-helix	trans	-66	-39.6	176.1	-73.8	173.5	0	0	0	112	R645 S653	R645-L649 HydrophobicContact CG-CD1 4.01Å; R645-L649 WeakPolarHBondContact O-CB 3.25Å; R645-L649 VanDerWaalsContact O-CG 3.25Å; R645-L649 WeakPolarHBondContact O-CG 3.48Å; R645-L649 PolarHBondContact O-N 2.96Å; L649-S653 VanDerWaalsContact O-CB 3.24Å; L649-S653 WeakPolarHBondContact O-CB 3.35Å; L649-S653 PolarHBondContact O-N 3.49Å
650	A	87.4	Confident	86.1	Confident	18 Å²	18	64.7 Å²	64.7	15%	0.149	33%	0.331	C	S	.	.	H	α-helix	trans	-67.2	-43.9	179.1	0	0	0	0	0	112.2	D646 L647 S653 A654 L688 L691	D646-A650 WeakPolarHBondContact O-CB 3.37Å; D646-A650 PolarHBondContact O-N 3.38Å; L647-A650 PolarHBondContact O-N 3.49Å; A650-S653 PolarHBondContact O-N 3.08Å; A650-A654 VanDerWaalsContact O-CB 3.26Å; A650-A654 WeakPolarHBondContact O-CB 3.22Å; A650-A654 PolarHBondContact O-N 2.95Å; A650-L688 HydrophobicContact CB-CD2 4Å; A650-L691 HydrophobicContact CB-CD1 3.25Å; A650-L691 HydrophobicContact CB-CD2 4.34Å; A650-L691 HydrophobicContact CB-CG 4.42Å
651	I	89	Confident	85.5	Confident	4 Å²	4	65.1 Å²	65.1	2%	0.021	33%	0.334	C	S	.	.	H	α-helix	trans	-63	-46.3	175.9	-67.2	166.5	0	0	0	110.3	V612 I615 E616 L647 S653 A654 R655 L686	V612-I651 HydrophobicContact CG1-CG2 3.74Å; I615-I651 HydrophobicContact CB-CD1 4.33Å; I615-I651 HydrophobicContact CG2-CD1 3.67Å; E616-I651 HydrophobicContact CG-CG2 4.47Å; L647-I651 HydrophobicContact CD1-CD1 4.39Å; L647-I651 HydrophobicContact CG-CD1 4.13Å; L647-I651 VanDerWaalsContact O-CG1 3.28Å; L647-I651 WeakPolarHBondContact O-CG1 2.85Å; L647-I651 PolarHBondContact O-N 3.14Å; I651-S653 VanDerWaalsContact C-N 3.32Å; I651-S653 PolarHBondContact O-N 3.3Å; I651-A654 PolarHBondContact O-N 3.38Å; I651-R655 PolarHBondContact O-N 3.45Å; I651-L686 HydrophobicContact CG1-CD2 4.35Å
652	A	88	Confident	85.2	Confident	50 Å²	50	67.8 Å²	67.8	41%	0.413	35%	0.351	S	S	.	.	H	α-helix	trans	-62.9	-37.2	177.2	0	0	0	0	0	112.7	S648 K656	S648-A652 VanDerWaalsContact O-CB 3.27Å; S648-A652 WeakPolarHBondContact O-CB 2.94Å; S648-A652 PolarHBondContact O-N 3.17Å; A652-K656 WeakPolarHBondContact O-CG 3.09Å; A652-K656 PolarHBondContact O-N 2.98Å
653	S	87.1	Confident	85	Confident	68 Å²	68	70.9 Å²	70.9	48%	0.476	37%	0.37	S	S	.	.	H	α-helix	trans	-70.9	-39.6	175.6	-169.5	0	0	0	0	111.8	L649 A650 I651 K656 T657	L649-S653 VanDerWaalsContact O-CB 3.24Å; L649-S653 WeakPolarHBondContact O-CB 3.35Å; L649-S653 PolarHBondContact O-N 3.49Å; A650-S653 PolarHBondContact O-N 3.08Å; I651-S653 VanDerWaalsContact C-N 3.32Å; I651-S653 PolarHBondContact O-N 3.3Å; S653-K656 PolarHBondContact O-N 3.06Å; S653-T657 WeakPolarHBondContact O-CB 3.37Å; S653-T657 PolarHBondContact O-N 3.43Å; S653-T657 PolarHBondContact O-OG1 2.95Å
654	A	86.2	Confident	84.9	Confident	9 Å²	9	74.9 Å²	74.9	7%	0.074	39%	0.391	C	S	.	.	H	α-helix	trans	-63.1	-48.8	178.9	0	0	0	0	0	110.9	A650 I651 K656 T657 Q658 V661 L686	A650-A654 VanDerWaalsContact O-CB 3.26Å; A650-A654 WeakPolarHBondContact O-CB 3.22Å; A650-A654 PolarHBondContact O-N 2.95Å; I651-A654 PolarHBondContact O-N 3.38Å; A654-K656 PolarHBondContact O-N 3.38Å; A654-T657 PolarHBondContact O-N 3.18Å; A654-T657 VanDerWaalsContact O-N 3.13Å; A654-Q658 WeakPolarHBondContact O-CB 3.28Å; A654-Q658 PolarHBondContact O-N 2.65Å; A654-V661 HydrophobicContact CB-CG1 4.43Å; A654-L686 HydrophobicContact CB-CD1 3.46Å; A654-L686 VanDerWaalsContact CB-CD1 3.46Å; A654-L686 HydrophobicContact CB-CD2 4.23Å
655	R	84.9	Confident	84.7	Confident	97 Å²	97	71.1 Å²	71.1	37%	0.366	38%	0.376	S	S	.	.	H	α-helix	trans	-58	-30.1	175.4	-77.6	-169.8	168.6	157.3	8.2	114.1	E616 I651	E616-R655 VanDerWaalsContact CD-NH2 3.29Å; E616-R655 IonicContact OE1-CZ 3.18Å; E616-R655 IonicContact OE1-NH1 2.72Å; E616-R655 PolarHBondContact OE1-NH1 2.91Å; E616-R655 IonicContact OE1-NH2 3.81Å; E616-R655 PolarHBondContact OE1-NH2 2.94Å; E616-R655 IonicContact OE2-CZ 3.41Å; E616-R655 IonicContact OE2-NH1 3.31Å; E616-R655 PolarHBondContact OE2-NH1 3.27Å; E616-R655 IonicContact OE2-NH2 2.77Å; E616-R655 PolarHBondContact OE2-NH2 3.37Å; I651-R655 PolarHBondContact O-N 3.45Å
656	K	85	Confident	84.9	Confident	183 Å²	183	65.4 Å²	65.4	80%	0.796	36%	0.359	S	S	*	.	H	α-helix	trans	-82.4	-31.4	177.9	-73.9	-179.5	-179.7	-171.8	0	113.7	A652 S653 A654	A652-K656 WeakPolarHBondContact O-CG 3.09Å; A652-K656 PolarHBondContact O-N 2.98Å; S653-K656 PolarHBondContact O-N 3.06Å; A654-K656 PolarHBondContact O-N 3.38Å
657	T	83.6	Confident	85	Confident	107 Å²	107	64 Å²	64	66%	0.656	35%	0.352	S	S	*	.	H	α-helix	trans	-97.2	-25.8	-171.8	-44	0	0	0	0	111.7	S653 A654	S653-T657 WeakPolarHBondContact O-CB 3.37Å; S653-T657 PolarHBondContact O-N 3.43Å; S653-T657 PolarHBondContact O-OG1 2.95Å; A654-T657 PolarHBondContact O-N 3.18Å; A654-T657 VanDerWaalsContact O-N 3.13Å
658	Q	80.2	Confident	85.1	Confident	70 Å²	70	65.2 Å²	65.2	33%	0.327	36%	0.357	S	S	.	.			trans	-125.9	103.9	-174.4	-62	173.2	-1	0	0	108.1	A654 C660 V661	A654-Q658 WeakPolarHBondContact O-CB 3.28Å; A654-Q658 PolarHBondContact O-N 2.65Å; Q658-C660 PolarHBondContact O-N 2.65Å; Q658-C660 VanDerWaalsContact O-N 3.15Å; Q658-V661 HydrophobicContact CB-CB 4.49Å; Q658-V661 HydrophobicContact CB-CG2 3.65Å; Q658-V661 PolarHBondContact O-N 2.82Å
659	E	72.4	Confident	85	Confident	193 Å²	193	62.9 Å²	62.9	90%	0.902	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-22.4	-179.8	-67.5	-177.2	166.7	0	0	112.7
660	C	77.3	Confident	85	Confident	82 Å²	82	58.8 Å²	58.8	55%	0.554	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	0.3	-177.4	-52.6	0	0	0	0	114.8	Q658 V662 M684	Q658-C660 PolarHBondContact O-N 2.65Å; Q658-C660 VanDerWaalsContact O-N 3.15Å; C660-V662 PolarHBondContact O-N 3.35Å; C660-M684 HydrophobicContact CB-CB 3.8Å; C660-M684 HydrophobicContact CB-SD 4.34Å; C660-M684 PolarHBondContact O-N 3.16Å
661	V	80.5	Confident	84.5	Confident	8 Å²	8	61.4 Å²	61.4	5%	0.048	34%	0.341	C	S	.	.			trans	-88.6	94.3	178.3	179.6	0	0	0	0	109.9	V612 A654 Q658 S665 L686	V612-V661 HydrophobicContact CG2-CG1 4.3Å; A654-V661 HydrophobicContact CB-CG1 4.43Å; Q658-V661 HydrophobicContact CB-CB 4.49Å; Q658-V661 HydrophobicContact CB-CG2 3.65Å; Q658-V661 PolarHBondContact O-N 2.82Å; V661-S665 WeakPolarHBondContact CA-OG 3.38Å; V661-L686 HydrophobicContact CG1-CD2 4.48Å
662	V	83.7	Confident	84	Confident	69 Å²	69	67.1 Å²	67.1	42%	0.418	38%	0.376	S	S	.	.			trans	-92.9	173.3	173.9	-63.3	0	0	0	0	111.8	C660 D664 S665 P683	C660-V662 PolarHBondContact O-N 3.35Å; V662-D664 HydrophobicContact CG2-CB 4.41Å; V662-D664 PolarHBondContact O-N 3.26Å; V662-S665 PolarHBondContact N-OG 3.36Å; V662-S665 VanDerWaalsContact O-CB 3.22Å; V662-S665 WeakPolarHBondContact O-CB 3.43Å; V662-S665 PolarHBondContact O-N 2.78Å; V662-S665 VanDerWaalsContact O-N 3.12Å; V662-S665 PolarHBondContact O-OG 2.9Å; V662-P683 HydrophobicContact CG2-CB 3.37Å; V662-P683 HydrophobicContact CG2-CG 4.44Å
663	T	86.7	Confident	83.5	Confident	65 Å²	65	65.4 Å²	65.4	40%	0.399	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-36.6	175.5	45.7	0	0	0	0	112.7	V612 G613 S665	V612-T663 CarbonylContact C-O 3.59Å; V612-T663 PolarHBondContact N-O 3.18Å; G613-T663 PolarHBondContact N-O 2.91Å; T663-S665 PolarHBondContact O-N 2.96Å
664	D	86.5	Confident	82.9	Confident	105 Å²	105	64.2 Å²	64.2	56%	0.561	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	5.7	-175	-54.8	-10.9	0	0	0	112.5	V662 N666 P683	V662-D664 HydrophobicContact CG2-CB 4.41Å; V662-D664 PolarHBondContact O-N 3.26Å; D664-N666 PolarHBondContact O-N 3.29Å; D664-P683 HydrophobicContact CB-CG 4.41Å; D664-P683 WeakPolarHBondContact O-CG 3.38Å
665	S	86.4	Confident	82	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-67.2	124.4	176.7	-54.2	0	0	0	0	110.7	T611 V612 V661 V662 T663 M684	T611-S665 CarbonylContact C-O 3.5Å; T611-S665 WeakPolarHBondContact CA-O 3.38Å; V612-S665 WeakPolarHBondContact CG2-O 3.46Å; V612-S665 PolarHBondContact N-O 3.08Å; V661-S665 WeakPolarHBondContact CA-OG 3.38Å; V662-S665 PolarHBondContact N-OG 3.36Å; V662-S665 VanDerWaalsContact O-CB 3.22Å; V662-S665 WeakPolarHBondContact O-CB 3.43Å; V662-S665 PolarHBondContact O-N 2.78Å; V662-S665 VanDerWaalsContact O-N 3.12Å; V662-S665 PolarHBondContact O-OG 2.9Å; T663-S665 PolarHBondContact O-N 2.96Å; S665-M684 VanDerWaalsContact CB-O 3.27Å; S665-M684 WeakPolarHBondContact CB-O 3.43Å; S665-M684 PolarHBondContact OG-O 2.97Å
666	N	88.2	Confident	81.1	Confident	61 Å²	61	67.6 Å²	67.6	33%	0.326	40%	0.395	S	S	.	.	B	Isolated β-bridge	trans	-68	135	175.9	-73.4	-11.6	0	0	0	111.3	D664 Y668 P685 L686	D664-N666 PolarHBondContact O-N 3.29Å; N666-Y668 HydrophobicContact CB-CD2 4.39Å; N666-Y668 HydrophobicContact CB-CE2 3.57Å; N666-P685 WeakPolarHBondContact O-CA 3.36Å; N666-L686 PolarHBondContact O-N 2.96Å
667	V	88.7	Confident	80.1	Confident	2 Å²	2	60.6 Å²	60.6	1%	0.012	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	128.8	179.9	-179	0	0	0	0	110.1	M610 V612 I615 F669 L686 L688	M610-V667 PolarHBondContact O-N 3.45Å; V612-V667 HydrophobicContact CB-CG2 4.47Å; V612-V667 HydrophobicContact CG2-CG2 3.64Å; I615-V667 HydrophobicContact CD1-CB 3.86Å; I615-V667 HydrophobicContact CD1-CG1 3.74Å; I615-V667 HydrophobicContact CD1-CG2 3.78Å; V667-F669 HydrophobicContact CG1-CD2 4.29Å; V667-F669 HydrophobicContact CG1-CE2 3.67Å; V667-F669 HydrophobicContact CG1-CZ 4.01Å; V667-L686 WeakPolarHBondContact CA-O 3.36Å; V667-L686 HydrophobicContact CG2-CB 4.35Å; V667-L686 HydrophobicContact CG2-CD2 4.35Å; V667-L688 HydrophobicContact CG1-CB 4.31Å; V667-L688 HydrophobicContact CG1-CD1 3.59Å; V667-L688 HydrophobicContact CG1-CG 3.91Å
668	Y	89.5	Confident	79.2	Confident	27 Å²	27	62.5 Å²	62.5	11%	0.106	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	123.4	-178.6	-66.8	-96.9	0	0	0	111.5	E608 N666 A673 P674 P685 L686 L688	E608-Y668 HydrophobicContact CG-CD1 3.73Å; E608-Y668 HydrophobicContact CG-CE1 4.08Å; N666-Y668 HydrophobicContact CB-CD2 4.39Å; N666-Y668 HydrophobicContact CB-CE2 3.57Å; Y668-A673 HydrophobicContact CD1-CB 3.99Å; Y668-A673 HydrophobicContact CD2-CB 4.4Å; Y668-A673 HydrophobicContact CG-CB 3.74Å; Y668-P674 HydrophobicContact CE1-CG 4.22Å; Y668-P674 HydrophobicContact CE2-CG 4.01Å; Y668-P685 HydrophobicContact CD2-CB 3.75Å; Y668-P685 HydrophobicContact CE2-CB 3.54Å; Y668-L686 PolarHBondContact N-O 3.4Å; Y668-L688 PolarHBondContact O-N 3.41Å
669	F	87.3	Confident	78.5	Confident	3 Å²	3	60.5 Å²	60.5	1%	0.013	37%	0.371	C	S	.	.			trans	-102.6	-5.1	169.2	-64.2	-82.5	0	0	0	113	I605 Q607 I615 V629 V642 L647 V667 L688 R689	I605-F669 HydrophobicContact CG2-CD2 4.23Å; I605-F669 HydrophobicContact CG2-CE2 3.63Å; I605-F669 HydrophobicContact CG2-CZ 4.41Å; Q607-F669 HydrophobicContact CB-CB 4.29Å; Q607-F669 PolarHBondContact O-N 2.85Å; I615-F669 HydrophobicContact CD1-CE2 4.4Å; V629-F669 HydrophobicContact CG1-CB 4.07Å; V629-F669 HydrophobicContact CG1-CD2 4.29Å; V629-F669 HydrophobicContact CG1-CG 4.18Å; V642-F669 HydrophobicContact CG2-CE1 4.5Å; L647-F669 HydrophobicContact CD1-CZ 4.06Å; V667-F669 HydrophobicContact CG1-CD2 4.29Å; V667-F669 HydrophobicContact CG1-CE2 3.67Å; V667-F669 HydrophobicContact CG1-CZ 4.01Å; F669-L688 HydrophobicContact CD1-CB 3.94Å; F669-L688 HydrophobicContact CE1-CB 3.54Å; F669-L688 HydrophobicContact CE1-CD1 4.37Å; F669-L688 HydrophobicContact CZ-CB 4.06Å; F669-L688 HydrophobicContact CZ-CD1 4.16Å; F669-R689 WeakPolarHBondContact O-CB 3.3Å; F669-R689 WeakPolarHBondContact O-CG 3.33Å
670	S	85.7	Confident	77.8	Confident	14 Å²	14	57.9 Å²	57.9	10%	0.098	37%	0.371	C	S	.	.	S	Bend	trans	-76.7	169.1	-179.3	68.2	0	0	0	0	113.4	E608 V672 R689	E608-S670 WeakPolarHBondContact OE1-CB 3.42Å; E608-S670 PolarHBondContact OE1-OG 3.17Å; S670-V672 VanDerWaalsContact C-N 3.34Å; S670-V672 PolarHBondContact OG-O 3.48Å; S670-V672 VanDerWaalsContact OG-O 3.12Å; S670-R689 VanDerWaalsContact O-CD 3.31Å; S670-R689 WeakPolarHBondContact O-CD 3.35Å
671	A	78.7	Confident	77.4	Confident	73 Å²	73	58 Å²	58	60%	0.603	39%	0.385	S	S	*	.	S	Bend	trans	-66.7	-40.8	174.6	0	0	0	0	0	112.2
672	V	77.7	Confident	76.8	Confident	124 Å²	124	64.4 Å²	64.4	75%	0.752	41%	0.41	S	S	*	.			trans	-108.3	93	-168.2	-174.2	0	0	0	0	105.6	S670	S670-V672 VanDerWaalsContact C-N 3.34Å; S670-V672 PolarHBondContact OG-O 3.48Å; S670-V672 VanDerWaalsContact OG-O 3.12Å
673	A	76.7	Confident	76.5	Confident	13 Å²	13	63.2 Å²	63.2	11%	0.107	40%	0.403	C	S	.	.			trans	-115.7	139.2	175.3	0	0	0	0	0	108.8	Y668 S675 K687	Y668-A673 HydrophobicContact CD1-CB 3.99Å; Y668-A673 HydrophobicContact CD2-CB 4.4Å; Y668-A673 HydrophobicContact CG-CB 3.74Å; A673-S675 PolarHBondContact O-N 3.49Å; A673-K687 HydrophobicContact CB-CD 3.9Å; A673-K687 HydrophobicContact CB-CG 3.86Å; A673-K687 PolarHBondContact O-NZ 3.36Å
674	P	75.6	Confident	76.2	Confident	44 Å²	44	63.2 Å²	63.2	29%	0.286	40%	0.4	S	S	.	.			trans	-53.4	133.6	178.6	18.3	-27.9	0	0	0	110.4	Y668 P685 K687	Y668-P674 HydrophobicContact CE1-CG 4.22Å; Y668-P674 HydrophobicContact CE2-CG 4.01Å; P674-P685 HydrophobicContact CB-CG 4.47Å; P674-P685 HydrophobicContact CG-CB 4.19Å; P674-P685 HydrophobicContact CG-CG 4.16Å; P674-P685 VanDerWaalsContact O-CG 3.28Å; P674-P685 WeakPolarHBondContact O-CG 3.28Å; P674-K687 WeakPolarHBondContact O-CE 3.42Å; P674-K687 PolarHBondContact O-NZ 3.3Å
675	S	66.5	Low	76.1	Confident	106 Å²	106	58.8 Å²	58.8	74%	0.741	38%	0.376	S	S	*	.	S	Bend	trans	-84.3	-15.9	-174.9	-68.7	0	0	0	0	113.7	A673 K687	A673-S675 PolarHBondContact O-N 3.49Å; S675-K687 PolarHBondContact OG-NZ 2.92Å
676	A	66.2	Low	76	Confident	70 Å²	70	59.1 Å²	59.1	58%	0.579	38%	0.378	S	S	*	.	S	Bend	trans	-136.8	160.4	178.5	0	0	0	0	0	109.6
677	A	64	Low	76	Confident	37 Å²	37	61 Å²	61	31%	0.306	38%	0.384	S	S	.	.			trans	-57.8	146.6	168	0	0	0	0	0	110.1	G679 Y682	A677-G679 PolarHBondContact O-N 2.91Å; A677-Y682 VanDerWaalsContact CB-O 3.24Å; A677-Y682 WeakPolarHBondContact CB-O 3.26Å
678	E	65.6	Low	75.9	Confident	146 Å²	146	61.3 Å²	61.3	68%	0.682	39%	0.385	S	S	*	.	S	Bend	trans	-70.3	26.4	-177.9	-64.8	-177.2	166.4	0	0	114	Y682	E678-Y682 HydrophobicContact CB-CG 4.3Å
679	G	64.3	Low	75.8	Confident	28 Å²	28	64.9 Å²	64.9	29%	0.289	40%	0.398	S	S	.	.	S	Bend	trans	136.2	170.2	-178.6	0	0	0	0	0	112.5	A677 G681 Y682	A677-G679 PolarHBondContact O-N 2.91Å; G679-G681 PolarHBondContact O-N 3.13Å; G679-Y682 PolarHBondContact O-N 3.48Å
680	P	58.5	Low	75.6	Confident	139 Å²	139	74.9 Å²	74.9	90%	0.903	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	121.9	173.1	25.4	-31.2	0	0	0	110.1
681	G	67.5	Low	75.4	Confident	84 Å²	84	77 Å²	77	87%	0.866	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.2	-11.4	-179.9	0	0	0	0	0	115.5	G679	G679-G681 PolarHBondContact O-N 3.13Å
682	Y	68.8	Low	75.7	Confident	143 Å²	143	74.2 Å²	74.2	56%	0.561	43%	0.427	S	S	*	.	S	Bend	trans	-83.7	141.9	175.4	-71.6	-87.5	0	0	0	111.6	A677 E678 G679	A677-Y682 VanDerWaalsContact CB-O 3.24Å; A677-Y682 WeakPolarHBondContact CB-O 3.26Å; E678-Y682 HydrophobicContact CB-CG 4.3Å; G679-Y682 PolarHBondContact O-N 3.48Å
683	P	76.5	Confident	76.1	Confident	43 Å²	43	71.6 Å²	71.6	28%	0.279	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-68.7	145.6	-178.2	31	-36.8	0	0	0	111.3	V662 D664	V662-P683 HydrophobicContact CG2-CB 3.37Å; V662-P683 HydrophobicContact CG2-CG 4.44Å; D664-P683 HydrophobicContact CB-CG 4.41Å; D664-P683 WeakPolarHBondContact O-CG 3.38Å
684	M	81.3	Confident	76.5	Confident	65 Å²	65	75.5 Å²	75.5	32%	0.32	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-71	131.3	-175.6	-173.8	176.7	-176.9	0	0	111	C660 S665 L686	C660-M684 HydrophobicContact CB-CB 3.8Å; C660-M684 HydrophobicContact CB-SD 4.34Å; C660-M684 PolarHBondContact O-N 3.16Å; S665-M684 VanDerWaalsContact CB-O 3.27Å; S665-M684 WeakPolarHBondContact CB-O 3.43Å; S665-M684 PolarHBondContact OG-O 2.97Å; M684-L686 PolarHBondContact O-N 3.45Å
685	P	84.1	Confident	77.1	Confident	12 Å²	12	76.8 Å²	76.8	8%	0.078	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-68.6	131.6	-179.5	27.3	-35	0	0	0	111.9	N666 Y668 P674	N666-P685 WeakPolarHBondContact O-CA 3.36Å; Y668-P685 HydrophobicContact CD2-CB 3.75Å; Y668-P685 HydrophobicContact CE2-CB 3.54Å; P674-P685 HydrophobicContact CB-CG 4.47Å; P674-P685 HydrophobicContact CG-CB 4.19Å; P674-P685 HydrophobicContact CG-CG 4.16Å; P674-P685 VanDerWaalsContact O-CG 3.28Å; P674-P685 WeakPolarHBondContact O-CG 3.28Å
686	L	85.6	Confident	78.1	Confident	7 Å²	7	72.8 Å²	72.8	4%	0.037	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	108.7	-178.9	-177.1	61.2	0	0	0	111.2	V612 I651 A654 V661 N666 V667 Y668 M684 L688	V612-L686 HydrophobicContact CG2-CB 4.43Å; V612-L686 HydrophobicContact CG2-CD2 3.76Å; I651-L686 HydrophobicContact CG1-CD2 4.35Å; A654-L686 HydrophobicContact CB-CD1 3.46Å; A654-L686 VanDerWaalsContact CB-CD1 3.46Å; A654-L686 HydrophobicContact CB-CD2 4.23Å; V661-L686 HydrophobicContact CG1-CD2 4.48Å; N666-L686 PolarHBondContact O-N 2.96Å; V667-L686 WeakPolarHBondContact CA-O 3.36Å; V667-L686 HydrophobicContact CG2-CB 4.35Å; V667-L686 HydrophobicContact CG2-CD2 4.35Å; Y668-L686 PolarHBondContact N-O 3.4Å; M684-L686 PolarHBondContact O-N 3.45Å; L686-L688 HydrophobicContact CD1-CD2 4.01Å; L686-L688 HydrophobicContact CD2-CD1 4.07Å; L686-L688 HydrophobicContact CD2-CD2 3.98Å; L686-L688 HydrophobicContact CD2-CG 4.13Å; L686-L688 HydrophobicContact CG-CD1 4.38Å; L686-L688 HydrophobicContact CG-CD2 3.73Å; L686-L688 HydrophobicContact CG-CG 3.9Å; L686-L688 PolarHBondContact O-N 3.31Å
687	K	86.9	Confident	79.3	Confident	101 Å²	101	71.9 Å²	71.9	44%	0.439	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	106.8	-178.4	-57.4	-174.7	-175.9	-167.7	0	111.5	A673 P674 S675	A673-K687 HydrophobicContact CB-CD 3.9Å; A673-K687 HydrophobicContact CB-CG 3.86Å; A673-K687 PolarHBondContact O-NZ 3.36Å; P674-K687 WeakPolarHBondContact O-CE 3.42Å; P674-K687 PolarHBondContact O-NZ 3.3Å; S675-K687 PolarHBondContact OG-NZ 2.92Å
688	L	86.7	Confident	80.6	Confident	8 Å²	8	73 Å²	73	4%	0.042	40%	0.403	C	S	.	.			trans	-110.8	4	-176.1	-63.1	-169.9	0	0	0	114.7	L647 A650 V667 Y668 F669 L686 K690 L691	L647-L688 HydrophobicContact CD1-CD1 3.74Å; A650-L688 HydrophobicContact CB-CD2 4Å; V667-L688 HydrophobicContact CG1-CB 4.31Å; V667-L688 HydrophobicContact CG1-CD1 3.59Å; V667-L688 HydrophobicContact CG1-CG 3.91Å; Y668-L688 PolarHBondContact O-N 3.41Å; F669-L688 HydrophobicContact CD1-CB 3.94Å; F669-L688 HydrophobicContact CE1-CB 3.54Å; F669-L688 HydrophobicContact CE1-CD1 4.37Å; F669-L688 HydrophobicContact CZ-CB 4.06Å; F669-L688 HydrophobicContact CZ-CD1 4.16Å; L686-L688 HydrophobicContact CD1-CD2 4.01Å; L686-L688 HydrophobicContact CD2-CD1 4.07Å; L686-L688 HydrophobicContact CD2-CD2 3.98Å; L686-L688 HydrophobicContact CD2-CG 4.13Å; L686-L688 HydrophobicContact CG-CD1 4.38Å; L686-L688 HydrophobicContact CG-CD2 3.73Å; L686-L688 HydrophobicContact CG-CG 3.9Å; L686-L688 PolarHBondContact O-N 3.31Å; L688-K690 PolarHBondContact O-N 2.94Å; L688-L691 HydrophobicContact CB-CD1 4.03Å; L688-L691 HydrophobicContact CD2-CD1 3.71Å; L688-L691 HydrophobicContact CG-CD1 4.29Å; L688-L691 WeakPolarHBondContact O-CB 2.93Å; L688-L691 PolarHBondContact O-N 3.23Å
689	R	87.2	Confident	82	Confident	102 Å²	102	66.8 Å²	66.8	39%	0.385	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-48.6	-36.9	-179.9	-179.4	170.4	168.1	156.5	-1.4	114.6	F669 S670 L691 L692	F669-R689 WeakPolarHBondContact O-CB 3.3Å; F669-R689 WeakPolarHBondContact O-CG 3.33Å; S670-R689 VanDerWaalsContact O-CD 3.31Å; S670-R689 WeakPolarHBondContact O-CD 3.35Å; R689-L691 PolarHBondContact O-N 3.17Å; R689-L691 VanDerWaalsContact O-N 3.14Å; R689-L692 VanDerWaalsContact O-CB 3.29Å; R689-L692 WeakPolarHBondContact O-CB 3.45Å; R689-L692 PolarHBondContact O-N 3.11Å
690	K	82.7	Confident	83.5	Confident	214 Å²	214	69 Å²	69	93%	0.93	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-63.3	-18.6	-178.6	-68	-177.1	-179.7	176.6	0	113.9	L688	L688-K690 PolarHBondContact O-N 2.94Å
691	L	82.7	Confident	85.1	Confident	59 Å²	59	63.4 Å²	63.4	31%	0.309	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-89	-14.1	178.9	-61.2	155.9	0	0	0	112.2	D646 A650 L688 R689	D646-L691 HydrophobicContact CB-CD2 4.24Å; A650-L691 HydrophobicContact CB-CD1 3.25Å; A650-L691 HydrophobicContact CB-CD2 4.34Å; A650-L691 HydrophobicContact CB-CG 4.42Å; L688-L691 HydrophobicContact CB-CD1 4.03Å; L688-L691 HydrophobicContact CD2-CD1 3.71Å; L688-L691 HydrophobicContact CG-CD1 4.29Å; L688-L691 WeakPolarHBondContact O-CB 2.93Å; L688-L691 PolarHBondContact O-N 3.23Å; R689-L691 PolarHBondContact O-N 3.17Å; R689-L691 VanDerWaalsContact O-N 3.14Å
692	L	85.1	Confident	86.3	Confident	14 Å²	14	65.4 Å²	65.4	7%	0.073	33%	0.332	C	S	.	.	S	Bend	trans	-75.1	126.6	-176.2	-168.4	64.7	0	0	0	110.1	V629 V639 V642 R689 L694	V629-L692 HydrophobicContact CB-CD1 3.77Å; V629-L692 HydrophobicContact CB-CD2 4.48Å; V629-L692 HydrophobicContact CG1-CD1 4.48Å; V629-L692 HydrophobicContact CG2-CD1 3.4Å; V629-L692 VanDerWaalsContact CG2-CD1 3.4Å; V639-L692 HydrophobicContact CG1-CD2 3.89Å; V642-L692 HydrophobicContact CB-CD1 4.31Å; R689-L692 VanDerWaalsContact O-CB 3.29Å; R689-L692 WeakPolarHBondContact O-CB 3.45Å; R689-L692 PolarHBondContact O-N 3.11Å; L692-L694 HydrophobicContact CD2-CD2 3.74Å; L692-L694 HydrophobicContact CG-CD2 4.22Å; L692-L694 PolarHBondContact O-N 3.09Å; L692-L694 VanDerWaalsContact O-N 3.16Å
693	N	84.7	Confident	87.5	Confident	68 Å²	68	59.4 Å²	59.4	36%	0.364	31%	0.31	S	S	.	.	B	Isolated β-bridge	trans	-73.4	105.3	161.1	-177.4	9.7	0	0	0	107.8	G640 F641 A695 P696	G640-N693 CarbonylContact C-O 3.54Å; G640-N693 WeakPolarHBondContact CA-O 3.4Å; F641-N693 PolarHBondContact N-O 3.18Å; F641-N693 WeakPolarHBondContact O-CB 3.03Å; F641-N693 PolarHBondContact O-N 3.42Å; N693-A695 VanDerWaalsContact C-N 3.25Å; N693-A695 PolarHBondContact O-N 3.02Å; N693-A695 PolarHBondContact OD1-N 3.26Å; N693-A695 VanDerWaalsContact OD1-N 3.11Å; N693-A695 PolarHBondContact OD1-O 2.99Å; N693-P696 WeakPolarHBondContact O-CD 3.03Å
694	L	86.7	Confident	88.3	Confident	96 Å²	96	60.7 Å²	60.7	50%	0.503	32%	0.318	S	S	.	.	S	Bend	trans	-75.3	-13.4	-179.6	-65.6	169.7	0	0	0	113.3	L692	L692-L694 HydrophobicContact CD2-CD2 3.74Å; L692-L694 HydrophobicContact CG-CD2 4.22Å; L692-L694 PolarHBondContact O-N 3.09Å; L692-L694 VanDerWaalsContact O-N 3.16Å
695	A	87.2	Confident	88.7	Confident	71 Å²	71	57.6 Å²	57.6	59%	0.587	30%	0.303	S	S	*	.	S	Bend	trans	-127.1	62.7	178.2	0	0	0	0	0	110.1	N693	N693-A695 VanDerWaalsContact C-N 3.25Å; N693-A695 PolarHBondContact O-N 3.02Å; N693-A695 PolarHBondContact OD1-N 3.26Å; N693-A695 VanDerWaalsContact OD1-N 3.11Å; N693-A695 PolarHBondContact OD1-O 2.99Å
696	P	88.2	Confident	89	Confident	21 Å²	21	62.4 Å²	62.4	14%	0.136	33%	0.325	C	S	.	.			trans	-66.5	145.7	169	33.9	-34.4	0	0	0	108.8	L638 F641 N693 S698 L721	L638-P696 HydrophobicContact CD2-CG 4.01Å; L638-P696 HydrophobicContact CG-CG 4.45Å; F641-P696 HydrophobicContact CB-CB 3.85Å; F641-P696 HydrophobicContact CB-CG 4.36Å; N693-P696 WeakPolarHBondContact O-CD 3.03Å; P696-S698 PolarHBondContact O-N 3.41Å; P696-L721 HydrophobicContact CB-CD1 3.69Å; P696-L721 HydrophobicContact CG-CD1 3.76Å
697	I	90.7	Very high	89.2	Confident	52 Å²	52	65.2 Å²	65.2	27%	0.267	34%	0.342	S	S	.	.			trans	-73.2	121	177.7	-60.4	169.4	0	0	0	107.8	L715 L717 L720 L721	I697-L715 HydrophobicContact CD1-CD1 3.73Å; I697-L717 HydrophobicContact CB-CD1 4.07Å; I697-L717 HydrophobicContact CD1-CD1 3.56Å; I697-L717 HydrophobicContact CD1-CD2 3.55Å; I697-L717 HydrophobicContact CD1-CG 4.18Å; I697-L717 HydrophobicContact CG1-CD1 4.42Å; I697-L717 HydrophobicContact CG2-CD1 4.07Å; I697-L720 HydrophobicContact CB-CD1 4.1Å; I697-L720 HydrophobicContact CG2-CD1 3.46Å; I697-L720 VanDerWaalsContact CG2-CD1 3.46Å; I697-L721 PolarHBondContact O-N 3.38Å
698	S	92.6	Very high	89.4	Confident	59 Å²	59	60.4 Å²	60.4	41%	0.413	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	146.5	178.4	57.7	0	0	0	0	111	P696 L721	P696-S698 PolarHBondContact O-N 3.41Å; S698-L721 CarbonylContact C-O 3.58Å; S698-L721 WeakPolarHBondContact CA-O 3.34Å
699	I	94.6	Very high	89.5	Confident	16 Å²	16	60 Å²	60	8%	0.082	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	169.9	173.4	57.5	162.7	0	0	0	110.2	A589 T703 V708 I711 L720 L721 V722 T723	A589-I699 HydrophobicContact CB-CD1 3.47Å; A589-I699 VanDerWaalsContact CB-CD1 3.47Å; I699-T703 HydrophobicContact CB-CG2 4.46Å; I699-T703 HydrophobicContact CD1-CG2 4.37Å; I699-V708 HydrophobicContact CD1-CG2 3.64Å; I699-I711 HydrophobicContact CG2-CD1 3.89Å; I699-L720 HydrophobicContact CB-CD2 4.3Å; I699-L720 HydrophobicContact CD1-CD2 3.34Å; I699-L720 HydrophobicContact CD1-CG 4.22Å; I699-L720 HydrophobicContact CG1-CD2 3.61Å; I699-L720 HydrophobicContact CG1-CG 3.97Å; I699-L720 HydrophobicContact CG2-CD1 4.18Å; I699-L720 HydrophobicContact CG2-CD2 3.77Å; I699-L720 HydrophobicContact CG2-CG 4.16Å; I699-L721 PolarHBondContact N-O 2.93Å; I699-V722 HydrophobicContact CD1-CG2 4.22Å; I699-V722 HydrophobicContact CG1-CG2 4.13Å; I699-T723 PolarHBondContact O-N 3.13Å; I699-T723 PolarHBondContact O-OG1 3.18Å
700	T	94.9	Very high	89.5	Confident	75 Å²	75	57.5 Å²	57.5	46%	0.46	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	156.9	170.6	61.2	0	0	0	0	111	Q702 T703 T723	T700-Q702 PolarHBondContact O-N 2.88Å; T700-T703 PolarHBondContact N-OG1 2.98Å; T700-T703 WeakPolarHBondContact O-CB 3.25Å; T700-T703 PolarHBondContact O-N 3.34Å; T700-T703 VanDerWaalsContact O-N 3.16Å; T700-T703 PolarHBondContact O-OG1 3.37Å; T700-T703 PolarHBondContact OG1-OG1 3.12Å; T700-T723 WeakPolarHBondContact CA-O 3.05Å
701	D	92.5	Very high	89.7	Confident	21 Å²	21	49 Å²	49	11%	0.112	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-30.9	175.4	58.5	-52.9	0	0	0	113.4	A590 T703 V722 H724 L729	A590-D701 HydrophobicContact CB-CB 4.3Å; A590-D701 PolarHBondContact N-O 2.94Å; A590-D701 VanDerWaalsContact N-O 3.11Å; D701-T703 VanDerWaalsContact C-N 3.32Å; D701-T703 PolarHBondContact O-N 2.89Å; D701-V722 HydrophobicContact CB-CG1 4.09Å; D701-H724 IonicContact OD1-CE1 3.67Å; D701-H724 IonicContact OD1-CG 3.31Å; D701-H724 IonicContact OD1-ND1 2.85Å; D701-H724 PolarHBondContact OD1-ND1 3.47Å; D701-H724 IonicContact OD2-ND1 3.88Å; D701-L729 HydrophobicContact CB-CD1 3.96Å
702	Q	93.1	Very high	89.9	Confident	126 Å²	126	46.3 Å²	46.3	59%	0.589	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	5.9	179.5	-57.4	-57.4	-41.6	0	0	114.1	T700 P704	T700-Q702 PolarHBondContact O-N 2.88Å; Q702-P704 WeakPolarHBondContact O-CD 2.84Å
703	T	93.7	Very high	89.6	Confident	18 Å²	18	46.5 Å²	46.5	11%	0.11	26%	0.263	C	S	.	.			trans	-67.4	127.7	179.7	-60.9	0	0	0	0	109.8	A589 I699 T700 D701 T707 V708	A589-T703 PolarHBondContact N-O 3.23Å; I699-T703 HydrophobicContact CB-CG2 4.46Å; I699-T703 HydrophobicContact CD1-CG2 4.37Å; T700-T703 PolarHBondContact N-OG1 2.98Å; T700-T703 WeakPolarHBondContact O-CB 3.25Å; T700-T703 PolarHBondContact O-N 3.34Å; T700-T703 VanDerWaalsContact O-N 3.16Å; T700-T703 PolarHBondContact O-OG1 3.37Å; T700-T703 PolarHBondContact OG1-OG1 3.12Å; D701-T703 VanDerWaalsContact C-N 3.32Å; D701-T703 PolarHBondContact O-N 2.89Å; T703-T707 HydrophobicContact CG2-CG2 3.92Å; T703-V708 HydrophobicContact CG2-CG2 4Å
704	P	93	Very high	89.4	Confident	69 Å²	69	49.8 Å²	49.8	45%	0.448	27%	0.274	S	S	.	.	B	Isolated β-bridge	trans	-59.5	141.3	177	-23.8	33	0	0	0	112	Q702 E706 T707 V708	Q702-P704 WeakPolarHBondContact O-CD 2.84Å; P704-E706 PolarHBondContact O-N 2.98Å; P704-T707 WeakPolarHBondContact O-CB 3.28Å; P704-T707 PolarHBondContact O-N 3.35Å; P704-V708 PolarHBondContact O-N 3.43Å; P704-V708 VanDerWaalsContact O-N 3.17Å
705	M	90.8	Very high	89.1	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-61.4	-28.8	-178.4	-86.6	-62.2	-61.8	0	0	113.7	F583 T587 V592 T707 V708 I709 V737	F583-M705 HydrophobicContact CD1-CB 3.96Å; F583-M705 HydrophobicContact CE1-CB 3.42Å; F583-M705 VanDerWaalsContact CE1-CB 3.42Å; F583-M705 HydrophobicContact CE1-CG 4.43Å; F583-M705 HydrophobicContact CZ-CB 4.06Å; T587-M705 VanDerWaalsContact O-CB 3.28Å; T587-M705 WeakPolarHBondContact O-CB 3.46Å; T587-M705 WeakPolarHBondContact O-CG 3.29Å; T587-M705 PolarHBondContact O-N 3.05Å; T587-M705 VanDerWaalsContact OG1-CG 3.3Å; T587-M705 WeakPolarHBondContact OG1-CG 3.42Å; V592-M705 HydrophobicContact CB-CE 4.34Å; V592-M705 HydrophobicContact CB-SD 3.97Å; V592-M705 HydrophobicContact CG1-CE 4.37Å; V592-M705 HydrophobicContact CG2-CE 3.67Å; V592-M705 HydrophobicContact CG2-CG 4.07Å; V592-M705 HydrophobicContact CG2-SD 3.43Å; V592-M705 WeakPolarHBondContact CG2-SD 3.35Å; M705-T707 VanDerWaalsContact C-N 3.35Å; M705-T707 PolarHBondContact O-N 3.4Å; M705-V708 WeakPolarHBondContact O-CB 3.25Å; M705-V708 PolarHBondContact O-N 3.22Å; M705-V708 VanDerWaalsContact O-N 3.17Å; M705-V708 HydrophobicContact SD-CB 3.96Å; M705-V708 HydrophobicContact SD-CG1 4.12Å; M705-V708 HydrophobicContact SD-CG2 4.07Å; M705-I709 HydrophobicContact CE-CD1 4.21Å; M705-I709 HydrophobicContact CE-CG1 4.14Å; M705-I709 WeakPolarHBondContact O-CB 3.49Å; M705-I709 VanDerWaalsContact O-CG1 3.26Å; M705-I709 WeakPolarHBondContact O-CG1 3.26Å; M705-I709 PolarHBondContact O-N 3.04Å; M705-V737 HydrophobicContact CE-CG1 4.24Å; M705-V737 HydrophobicContact CE-CG2 4.38Å
706	E	88.7	Confident	88.5	Confident	113 Å²	113	46.7 Å²	46.7	53%	0.528	25%	0.251	S	S	.	.	H	α-helix	trans	-54.5	-51	170.9	-173.1	-171.7	175.5	0	0	111.1	P704 V708 I709 D710	P704-E706 PolarHBondContact O-N 2.98Å; E706-V708 VanDerWaalsContact C-N 3.34Å; E706-V708 PolarHBondContact O-N 3.27Å; E706-I709 PolarHBondContact O-N 3.2Å; E706-D710 WeakPolarHBondContact O-CB 3.35Å; E706-D710 PolarHBondContact O-N 2.89Å
707	T	90.5	Very high	88.1	Confident	65 Å²	65	46.2 Å²	46.2	40%	0.399	25%	0.247	S	C	.	.	H	α-helix	trans	-62.1	-40.6	176.1	-57.2	0	0	0	0	111.5	T703 P704 M705 D710 I711	T703-T707 HydrophobicContact CG2-CG2 3.92Å; P704-T707 WeakPolarHBondContact O-CB 3.28Å; P704-T707 PolarHBondContact O-N 3.35Å; M705-T707 VanDerWaalsContact C-N 3.35Å; M705-T707 PolarHBondContact O-N 3.4Å; T707-D710 PolarHBondContact O-N 3.25Å; T707-I711 HydrophobicContact CG2-CD1 3.96Å; T707-I711 HydrophobicContact CG2-CG1 4.49Å; T707-I711 WeakPolarHBondContact O-CB 3.25Å; T707-I711 VanDerWaalsContact O-CG1 3.22Å; T707-I711 WeakPolarHBondContact O-CG1 3.42Å; T707-I711 PolarHBondContact O-N 3.33Å
708	V	91.4	Very high	87.6	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.5	-48.2	177.4	179.7	0	0	0	0	110.7	A589 I699 T703 P704 M705 E706 I711 F712 L720 V732	A589-V708 HydrophobicContact CB-CG2 4.01Å; I699-V708 HydrophobicContact CD1-CG2 3.64Å; T703-V708 HydrophobicContact CG2-CG2 4Å; P704-V708 PolarHBondContact O-N 3.43Å; P704-V708 VanDerWaalsContact O-N 3.17Å; M705-V708 WeakPolarHBondContact O-CB 3.25Å; M705-V708 PolarHBondContact O-N 3.22Å; M705-V708 VanDerWaalsContact O-N 3.17Å; M705-V708 HydrophobicContact SD-CB 3.96Å; M705-V708 HydrophobicContact SD-CG1 4.12Å; M705-V708 HydrophobicContact SD-CG2 4.07Å; E706-V708 VanDerWaalsContact C-N 3.34Å; E706-V708 PolarHBondContact O-N 3.27Å; V708-I711 PolarHBondContact O-N 3.33Å; V708-F712 HydrophobicContact CG1-CD2 3.89Å; V708-F712 HydrophobicContact CG1-CE2 3.81Å; V708-F712 VanDerWaalsContact O-CD2 3.26Å; V708-F712 WeakPolarHBondContact O-CD2 3.34Å; V708-F712 PolarHBondContact O-N 3.37Å; V708-L720 HydrophobicContact CG1-CD2 3.93Å; V708-V732 HydrophobicContact CG1-CG1 4.36Å
709	I	88.4	Confident	87.5	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-61.9	-45.8	178.6	-72.7	164.9	0	0	0	110.1	L577 F583 M705 E706 I711 F712 R713 V737 I741	L577-I709 HydrophobicContact CD1-CG2 4.39Å; F583-I709 HydrophobicContact CB-CD1 3.68Å; F583-I709 HydrophobicContact CD1-CD1 4Å; F583-I709 HydrophobicContact CD2-CD1 3.35Å; F583-I709 HydrophobicContact CE1-CD1 4.45Å; F583-I709 HydrophobicContact CE2-CD1 3.9Å; F583-I709 HydrophobicContact CG-CD1 3.39Å; F583-I709 HydrophobicContact CZ-CD1 4.41Å; M705-I709 HydrophobicContact CE-CD1 4.21Å; M705-I709 HydrophobicContact CE-CG1 4.14Å; M705-I709 WeakPolarHBondContact O-CB 3.49Å; M705-I709 VanDerWaalsContact O-CG1 3.26Å; M705-I709 WeakPolarHBondContact O-CG1 3.26Å; M705-I709 PolarHBondContact O-N 3.04Å; E706-I709 PolarHBondContact O-N 3.2Å; I709-I711 VanDerWaalsContact C-N 3.3Å; I709-I711 PolarHBondContact O-N 3.15Å; I709-F712 PolarHBondContact O-N 2.86Å; I709-R713 HydrophobicContact CG2-CG 4.15Å; I709-R713 VanDerWaalsContact O-CB 3.24Å; I709-R713 WeakPolarHBondContact O-CB 3.44Å; I709-R713 WeakPolarHBondContact O-CG 3.37Å; I709-R713 PolarHBondContact O-N 3.47Å; I709-V737 HydrophobicContact CD1-CG1 4.38Å; I709-V737 HydrophobicContact CG1-CG1 3.67Å; I709-I741 HydrophobicContact CD1-CD1 4.19Å
710	D	86.5	Confident	87.4	Confident	49 Å²	49	44.8 Å²	44.8	26%	0.262	23%	0.229	S	C	.	.	H	α-helix	trans	-60.2	-37.9	177.1	-104.7	19.3	0	0	0	113	E706 T707 K714	E706-D710 WeakPolarHBondContact O-CB 3.35Å; E706-D710 PolarHBondContact O-N 2.89Å; T707-D710 PolarHBondContact O-N 3.25Å; D710-K714 VanDerWaalsContact O-CB 3.24Å; D710-K714 WeakPolarHBondContact O-CB 2.85Å; D710-K714 WeakPolarHBondContact O-CG 3.49Å; D710-K714 PolarHBondContact O-N 3.05Å; D710-K714 IonicContact OD2-NZ 3.75Å; D710-K714 PolarHBondContact OD2-NZ 2.81Å
711	I	88.4	Confident	87.4	Confident	34 Å²	34	41.3 Å²	41.3	17%	0.174	21%	0.208	C	C	.	.	H	α-helix	trans	-64.8	-48.7	173.8	-72.7	166.5	0	0	0	110.5	I699 T707 V708 I709 R713 L715 L717 L720	I699-I711 HydrophobicContact CG2-CD1 3.89Å; T707-I711 HydrophobicContact CG2-CD1 3.96Å; T707-I711 HydrophobicContact CG2-CG1 4.49Å; T707-I711 WeakPolarHBondContact O-CB 3.25Å; T707-I711 VanDerWaalsContact O-CG1 3.22Å; T707-I711 WeakPolarHBondContact O-CG1 3.42Å; T707-I711 PolarHBondContact O-N 3.33Å; V708-I711 PolarHBondContact O-N 3.33Å; I709-I711 VanDerWaalsContact C-N 3.3Å; I709-I711 PolarHBondContact O-N 3.15Å; I711-R713 VanDerWaalsContact C-N 3.32Å; I711-R713 PolarHBondContact O-N 3.24Å; I711-L715 HydrophobicContact CG2-CD1 4.23Å; I711-L715 WeakPolarHBondContact O-CB 3.25Å; I711-L715 PolarHBondContact O-N 3.45Å; I711-L717 HydrophobicContact CG2-CD1 3.46Å; I711-L717 VanDerWaalsContact CG2-CD1 3.46Å; I711-L717 HydrophobicContact CG2-CG 4.37Å; I711-L720 HydrophobicContact CG2-CD1 3.8Å
712	F	85.6	Confident	87.5	Confident	4 Å²	4	40.3 Å²	40.3	2%	0.018	20%	0.203	C	C	.	.	H	α-helix	trans	-60.5	-43.7	178.2	-89.6	-70.8	0	0	0	112.5	L577 V708 I709 G716 L717 L720 V732 K734 V737	L577-F712 HydrophobicContact CD2-CB 4.09Å; V708-F712 HydrophobicContact CG1-CD2 3.89Å; V708-F712 HydrophobicContact CG1-CE2 3.81Å; V708-F712 VanDerWaalsContact O-CD2 3.26Å; V708-F712 WeakPolarHBondContact O-CD2 3.34Å; V708-F712 PolarHBondContact O-N 3.37Å; I709-F712 PolarHBondContact O-N 2.86Å; F712-G716 VanDerWaalsContact O-CA 3.29Å; F712-G716 WeakPolarHBondContact O-CA 3.21Å; F712-G716 PolarHBondContact O-N 3.2Å; F712-G716 VanDerWaalsContact O-N 3.16Å; F712-L717 HydrophobicContact CD1-CB 4.08Å; F712-L717 WeakPolarHBondContact CD1-O 3.4Å; F712-L717 HydrophobicContact CE1-CB 4.2Å; F712-L717 PolarHBondContact O-N 2.95Å; F712-L720 HydrophobicContact CE2-CB 3.92Å; F712-L720 HydrophobicContact CE2-CD2 4.22Å; F712-L720 HydrophobicContact CZ-CB 3.69Å; F712-V732 HydrophobicContact CE2-CB 4.26Å; F712-V732 HydrophobicContact CE2-CG1 3.65Å; F712-V732 HydrophobicContact CZ-CB 4.33Å; F712-V732 HydrophobicContact CZ-CG1 3.96Å; F712-V732 WeakPolarHBondContact CZ-O 3.03Å; F712-K734 HydrophobicContact CD1-CB 4.24Å; F712-K734 HydrophobicContact CE1-CB 4.4Å; F712-V737 HydrophobicContact CD2-CG2 3.85Å; F712-V737 HydrophobicContact CE2-CG2 3.8Å
713	R	79.5	Confident	87.5	Confident	17 Å²	17	35.1 Å²	35.1	6%	0.064	18%	0.18	C	C	.	.	H	α-helix	trans	-59.4	-75.2	173.5	-75.9	174.8	177.1	166.6	1.1	108.2	Y282 L577 D578 E581 I709 I711 L715 G716	Y282-R713 WeakPolarHBondContact CE1-O 3.29Å; Y282-R713 VanDerWaalsContact CE2-C 3.41Å; Y282-R713 HydrophobicContact CE2-CB 3.68Å; Y282-R713 HydrophobicContact CE2-CG 4.17Å; Y282-R713 WeakPolarHBondContact CE2-O 3.45Å; Y282-R713 VanDerWaalsContact OH-CA 3.31Å; Y282-R713 WeakPolarHBondContact OH-CA 3.18Å; Y282-R713 WeakPolarHBondContact OH-CB 3.15Å; Y282-R713 PolarHBondContact OH-O 2.81Å; Y282-R713 VanDerWaalsContact OH-O 3.07Å; L577-R713 HydrophobicContact CD2-CG 3.74Å; L577-R713 HydrophobicContact CG-CG 4.05Å; D578-R713 PolarHBondContact O-NE 3.1Å; D578-R713 PolarHBondContact O-NH2 2.87Å; E581-R713 PolarHBondContact O-NH1 3.38Å; E581-R713 PolarHBondContact O-NH2 3.27Å; I709-R713 HydrophobicContact CG2-CG 4.15Å; I709-R713 VanDerWaalsContact O-CB 3.24Å; I709-R713 WeakPolarHBondContact O-CB 3.44Å; I709-R713 WeakPolarHBondContact O-CG 3.37Å; I709-R713 PolarHBondContact O-N 3.47Å; I711-R713 VanDerWaalsContact C-N 3.32Å; I711-R713 PolarHBondContact O-N 3.24Å; R713-L715 VanDerWaalsContact C-N 3.34Å; R713-L715 PolarHBondContact O-N 3.39Å; R713-G716 PolarHBondContact O-N 3.16Å; R713-G716 VanDerWaalsContact O-N 3.1Å
714	K	80	Confident	87.5	Confident	137 Å²	137	38 Å²	38	60%	0.596	19%	0.192	S	C	*	.	H	α-helix	trans	-62.9	-34.9	-163.8	-68.7	170.5	175.1	161.4	0	113.9	Y282 D710	Y282-K714 VanDerWaalsContact OH-CA 3.26Å; Y282-K714 WeakPolarHBondContact OH-CA 3.47Å; Y282-K714 PolarHBondContact OH-N 3.44Å; D710-K714 VanDerWaalsContact O-CB 3.24Å; D710-K714 WeakPolarHBondContact O-CB 2.85Å; D710-K714 WeakPolarHBondContact O-CG 3.49Å; D710-K714 PolarHBondContact O-N 3.05Å; D710-K714 IonicContact OD2-NZ 3.75Å; D710-K714 PolarHBondContact OD2-NZ 2.81Å
715	L	79.8	Confident	87.4	Confident	92 Å²	92	42.5 Å²	42.5	48%	0.482	21%	0.209	S	C	.	.	H	α-helix	trans	-95.4	-10.1	-179.2	-59.6	-179.1	0	0	0	113.2	I697 I711 R713 L717	I697-L715 HydrophobicContact CD1-CD1 3.73Å; I711-L715 HydrophobicContact CG2-CD1 4.23Å; I711-L715 WeakPolarHBondContact O-CB 3.25Å; I711-L715 PolarHBondContact O-N 3.45Å; R713-L715 VanDerWaalsContact C-N 3.34Å; R713-L715 PolarHBondContact O-N 3.39Å; L715-L717 VanDerWaalsContact C-N 3.33Å; L715-L717 HydrophobicContact CB-CD1 4.42Å; L715-L717 HydrophobicContact CB-CD2 3.68Å; L715-L717 HydrophobicContact CB-CG 3.76Å; L715-L717 HydrophobicContact CD1-CD1 4.37Å; L715-L717 HydrophobicContact CD1-CD2 4.49Å; L715-L717 PolarHBondContact O-N 2.96Å
716	G	74.9	Confident	87.3	Confident	11 Å²	11	44.3 Å²	44.3	11%	0.113	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	42.8	-177	0	0	0	0	0	112.2	F712 R713	F712-G716 VanDerWaalsContact O-CA 3.29Å; F712-G716 WeakPolarHBondContact O-CA 3.21Å; F712-G716 PolarHBondContact O-N 3.2Å; F712-G716 VanDerWaalsContact O-N 3.16Å; R713-G716 PolarHBondContact O-N 3.16Å; R713-G716 VanDerWaalsContact O-N 3.1Å
717	L	80.9	Confident	87.5	Confident	10 Å²	10	44 Å²	44	5%	0.052	23%	0.225	C	C	.	.			trans	-74.1	148.6	-176.4	-56.5	-174.7	0	0	0	111.7	I697 I711 F712 L715 L720	I697-L717 HydrophobicContact CB-CD1 4.07Å; I697-L717 HydrophobicContact CD1-CD1 3.56Å; I697-L717 HydrophobicContact CD1-CD2 3.55Å; I697-L717 HydrophobicContact CD1-CG 4.18Å; I697-L717 HydrophobicContact CG1-CD1 4.42Å; I697-L717 HydrophobicContact CG2-CD1 4.07Å; I711-L717 HydrophobicContact CG2-CD1 3.46Å; I711-L717 VanDerWaalsContact CG2-CD1 3.46Å; I711-L717 HydrophobicContact CG2-CG 4.37Å; F712-L717 HydrophobicContact CD1-CB 4.08Å; F712-L717 WeakPolarHBondContact CD1-O 3.4Å; F712-L717 HydrophobicContact CE1-CB 4.2Å; F712-L717 PolarHBondContact O-N 2.95Å; L715-L717 VanDerWaalsContact C-N 3.33Å; L715-L717 HydrophobicContact CB-CD1 4.42Å; L715-L717 HydrophobicContact CB-CD2 3.68Å; L715-L717 HydrophobicContact CB-CG 3.76Å; L715-L717 HydrophobicContact CD1-CD1 4.37Å; L715-L717 HydrophobicContact CD1-CD2 4.49Å; L715-L717 PolarHBondContact O-N 2.96Å; L717-L720 HydrophobicContact CD1-CD1 3.79Å
718	R	80.6	Confident	87.6	Confident	58 Å²	58	41.7 Å²	41.7	22%	0.219	21%	0.21	C	C	.	.	S	Bend	trans	-84	-42	171.2	-179.4	-179.3	-171.9	164.1	16.3	111.9	T31 N625	T31-R718 WeakPolarHBondContact OG1-CG 3.36Å; N625-R718 PolarHBondContact ND2-NH2 3.19Å; N625-R718 PolarHBondContact OD1-NH2 2.95Å
719	Q	89.5	Confident	87.6	Confident	39 Å²	39	45 Å²	45	18%	0.182	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	156.2	179	67.1	-82.2	-15.4	0	0	110.7	F641 I731 V732 T733	F641-Q719 HydrophobicContact CE2-CG 4.13Å; F641-Q719 HydrophobicContact CZ-CG 3.94Å; Q719-I731 HydrophobicContact CB-CD1 3.72Å; Q719-I731 HydrophobicContact CB-CG1 3.88Å; Q719-I731 HydrophobicContact CG-CD1 3.81Å; Q719-I731 HydrophobicContact CG-CG1 4.4Å; Q719-V732 CarbonylContact C-O 3.28Å; Q719-V732 VanDerWaalsContact CA-O 3.27Å; Q719-V732 WeakPolarHBondContact CA-O 3.06Å; Q719-T733 HydrophobicContact CB-CG2 4.38Å
720	L	92.6	Very high	87.9	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	132	177.3	-167.5	74.4	0	0	0	108.2	I697 I699 V708 I711 F712 L717 I731 V732	I697-L720 HydrophobicContact CB-CD1 4.1Å; I697-L720 HydrophobicContact CG2-CD1 3.46Å; I697-L720 VanDerWaalsContact CG2-CD1 3.46Å; I699-L720 HydrophobicContact CB-CD2 4.3Å; I699-L720 HydrophobicContact CD1-CD2 3.34Å; I699-L720 HydrophobicContact CD1-CG 4.22Å; I699-L720 HydrophobicContact CG1-CD2 3.61Å; I699-L720 HydrophobicContact CG1-CG 3.97Å; I699-L720 HydrophobicContact CG2-CD1 4.18Å; I699-L720 HydrophobicContact CG2-CD2 3.77Å; I699-L720 HydrophobicContact CG2-CG 4.16Å; V708-L720 HydrophobicContact CG1-CD2 3.93Å; I711-L720 HydrophobicContact CG2-CD1 3.8Å; F712-L720 HydrophobicContact CE2-CB 3.92Å; F712-L720 HydrophobicContact CE2-CD2 4.22Å; F712-L720 HydrophobicContact CZ-CB 3.69Å; L717-L720 HydrophobicContact CD1-CD1 3.79Å; L720-I731 WeakPolarHBondContact O-CA 3.06Å; L720-V732 HydrophobicContact CB-CB 4.4Å; L720-V732 PolarHBondContact N-O 2.87Å; L720-V732 PolarHBondContact O-N 3.43Å
721	L	94.3	Very high	88.2	Confident	2 Å²	2	43.8 Å²	43.8	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	136.3	180	-59.9	178.7	0	0	0	109.8	P628 L638 F641 P696 I697 S698 I699 L728 I731	P628-L721 HydrophobicContact CB-CD2 4.34Å; L638-L721 HydrophobicContact CD1-CD1 3.68Å; L638-L721 HydrophobicContact CD2-CB 4.32Å; L638-L721 HydrophobicContact CD2-CD1 3.62Å; L638-L721 HydrophobicContact CG-CD1 4.3Å; F641-L721 HydrophobicContact CD2-CD1 4.28Å; F641-L721 HydrophobicContact CD2-CD2 4.21Å; F641-L721 HydrophobicContact CE2-CD2 4.42Å; P696-L721 HydrophobicContact CB-CD1 3.69Å; P696-L721 HydrophobicContact CG-CD1 3.76Å; I697-L721 PolarHBondContact O-N 3.38Å; S698-L721 CarbonylContact C-O 3.58Å; S698-L721 WeakPolarHBondContact CA-O 3.34Å; I699-L721 PolarHBondContact N-O 2.93Å; L721-L728 HydrophobicContact CB-CD1 4.08Å; L721-L728 HydrophobicContact CD2-CD1 4.22Å; L721-I731 HydrophobicContact CD2-CB 4.35Å; L721-I731 HydrophobicContact CD2-CD1 3.95Å; L721-I731 HydrophobicContact CD2-CG1 4.07Å
722	V	95.1	Very high	88.4	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	124.6	176.9	-174.2	0	0	0	0	108.6	M593 I699 D701 L729 G730 V732	M593-V722 HydrophobicContact CB-CB 4.42Å; M593-V722 HydrophobicContact CB-CG2 3.89Å; M593-V722 HydrophobicContact SD-CB 3.84Å; M593-V722 HydrophobicContact SD-CG1 3.63Å; M593-V722 HydrophobicContact SD-CG2 4.28Å; I699-V722 HydrophobicContact CD1-CG2 4.22Å; I699-V722 HydrophobicContact CG1-CG2 4.13Å; D701-V722 HydrophobicContact CB-CG1 4.09Å; V722-L729 PolarHBondContact O-N 3.46Å; V722-G730 PolarHBondContact N-O 2.75Å; V722-G730 PolarHBondContact O-N 2.85Å; V722-V732 HydrophobicContact CG2-CG2 3.72Å
723	T	94.4	Very high	88.5	Confident	17 Å²	17	43.9 Å²	43.9	10%	0.104	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	148.3	-174.8	60.7	0	0	0	0	111.3	L638 I699 T700 K727 L728	L638-T723 HydrophobicContact CB-CG2 4.42Å; L638-T723 HydrophobicContact CD2-CG2 3.9Å; I699-T723 PolarHBondContact O-N 3.13Å; I699-T723 PolarHBondContact O-OG1 3.18Å; T700-T723 WeakPolarHBondContact CA-O 3.05Å; T723-K727 CarbonylContact C-O 3.5Å; T723-K727 WeakPolarHBondContact CA-O 3.39Å; T723-K727 WeakPolarHBondContact CB-O 3.47Å; T723-L728 HydrophobicContact CG2-CD1 4.44Å
724	H	93.3	Very high	88.7	Confident	78 Å²	78	43.8 Å²	43.8	36%	0.361	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	116.6	172.3	-173.8	88.9	0	0	0	108.8	D701 G726 K727 L729	D701-H724 IonicContact OD1-CE1 3.67Å; D701-H724 IonicContact OD1-CG 3.31Å; D701-H724 IonicContact OD1-ND1 2.85Å; D701-H724 PolarHBondContact OD1-ND1 3.47Å; D701-H724 IonicContact OD2-ND1 3.88Å; H724-G726 PolarHBondContact O-N 2.98Å; H724-K727 PolarHBondContact N-O 2.96Å; H724-K727 WeakPolarHBondContact O-CB 3.27Å; H724-K727 PolarHBondContact O-N 2.91Å; H724-L729 HydrophobicContact CB-CD1 3.47Å; H724-L729 VanDerWaalsContact CB-CD1 3.47Å; H724-L729 HydrophobicContact CB-CD2 4.46Å; H724-L729 HydrophobicContact CB-CG 3.96Å
725	M	90.5	Very high	88.7	Confident	165 Å²	165	39.4 Å²	39.4	81%	0.813	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.1	39.8	-172.9	-56.8	-169.9	-71.4	0	0	113.4	K727	M725-K727 PolarHBondContact O-N 3.32Å
726	G	88	Confident	89.1	Confident	39 Å²	39	36.1 Å²	36.1	40%	0.402	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	-13.8	-179	0	0	0	0	0	115.5	N637 L638 H724	N637-G726 WeakPolarHBondContact CA-O 3.25Å; L638-G726 PolarHBondContact N-O 2.76Å; H724-G726 PolarHBondContact O-N 2.98Å
727	K	92.4	Very high	89.7	Confident	107 Å²	107	35.6 Å²	35.6	47%	0.465	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	133.3	171.8	-66.6	-178.6	179.5	-176.6	0	110.2	N637 T723 H724 M725 L729	N637-K727 VanDerWaalsContact OD1-CG 3.23Å; N637-K727 WeakPolarHBondContact OD1-CG 3.45Å; T723-K727 CarbonylContact C-O 3.5Å; T723-K727 WeakPolarHBondContact CA-O 3.39Å; T723-K727 WeakPolarHBondContact CB-O 3.47Å; H724-K727 PolarHBondContact N-O 2.96Å; H724-K727 WeakPolarHBondContact O-CB 3.27Å; H724-K727 PolarHBondContact O-N 2.91Å; M725-K727 PolarHBondContact O-N 3.32Å; K727-L729 PolarHBondContact O-N 2.97Å
728	L	93.4	Very high	89.8	Confident	15 Å²	15	35.6 Å²	35.6	8%	0.079	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	120.1	174.9	-178.9	71.6	0	0	0	110	L602 V604 P628 V630 A636 L638 L721 T723	L602-L728 HydrophobicContact CD2-CD2 3.78Å; L602-L728 HydrophobicContact CD2-CG 4.17Å; V604-L728 HydrophobicContact CG1-CD2 3.92Å; P628-L728 HydrophobicContact CB-CD2 3.51Å; P628-L728 HydrophobicContact CG-CD2 3.45Å; P628-L728 VanDerWaalsContact CG-CD2 3.45Å; V630-L728 HydrophobicContact CG1-CB 4.33Å; V630-L728 HydrophobicContact CG1-CD2 3.95Å; A636-L728 WeakPolarHBondContact O-CB 3.36Å; A636-L728 PolarHBondContact O-N 3.27Å; L638-L728 HydrophobicContact CD1-CD1 4.43Å; L721-L728 HydrophobicContact CB-CD1 4.08Å; L721-L728 HydrophobicContact CD2-CD1 4.22Å; T723-L728 HydrophobicContact CG2-CD1 4.44Å
729	L	92.2	Very high	89.9	Confident	70 Å²	70	35.6 Å²	35.6	37%	0.366	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-41.6	175.9	-65.8	-177.9	0	0	0	111.9	M593 D701 V722 H724 K727	M593-L729 HydrophobicContact CE-CB 4.17Å; M593-L729 HydrophobicContact CE-CD1 4.49Å; M593-L729 HydrophobicContact SD-CB 4.02Å; D701-L729 HydrophobicContact CB-CD1 3.96Å; V722-L729 PolarHBondContact O-N 3.46Å; H724-L729 HydrophobicContact CB-CD1 3.47Å; H724-L729 VanDerWaalsContact CB-CD1 3.47Å; H724-L729 HydrophobicContact CB-CD2 4.46Å; H724-L729 HydrophobicContact CB-CG 3.96Å; K727-L729 PolarHBondContact O-N 2.97Å
730	G	93.1	Very high	89.7	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.1	-178.1	-171.9	0	0	0	0	0	114.3	R594 V722	R594-G730 CarbonylContact O-C 3.51Å; R594-G730 WeakPolarHBondContact O-CA 3.48Å; V722-G730 PolarHBondContact N-O 2.75Å; V722-G730 PolarHBondContact O-N 2.85Å
731	I	93.4	Very high	89.3	Confident	25 Å²	25	35.7 Å²	35.7	13%	0.128	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	138.1	174.7	-170.5	160.6	0	0	0	108.8	R594 L602 F641 Q719 L720 L721	R594-I731 PolarHBondContact N-O 3.25Å; R594-I731 PolarHBondContact O-N 3.34Å; L602-I731 HydrophobicContact CD1-CB 4.43Å; L602-I731 HydrophobicContact CD1-CG2 3.66Å; F641-I731 HydrophobicContact CE2-CD1 4.17Å; Q719-I731 HydrophobicContact CB-CD1 3.72Å; Q719-I731 HydrophobicContact CB-CG1 3.88Å; Q719-I731 HydrophobicContact CG-CD1 3.81Å; Q719-I731 HydrophobicContact CG-CG1 4.4Å; L720-I731 WeakPolarHBondContact O-CA 3.06Å; L721-I731 HydrophobicContact CD2-CB 4.35Å; L721-I731 HydrophobicContact CD2-CD1 3.95Å; L721-I731 HydrophobicContact CD2-CG1 4.07Å
732	V	92.9	Very high	88.5	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	133.5	169.2	-179.9	0	0	0	0	107	V592 M593 V708 F712 Q719 L720 V722 V737	V592-V732 HydrophobicContact CG1-CG1 4.17Å; M593-V732 HydrophobicContact CB-CG2 3.81Å; V708-V732 HydrophobicContact CG1-CG1 4.36Å; F712-V732 HydrophobicContact CE2-CB 4.26Å; F712-V732 HydrophobicContact CE2-CG1 3.65Å; F712-V732 HydrophobicContact CZ-CB 4.33Å; F712-V732 HydrophobicContact CZ-CG1 3.96Å; F712-V732 WeakPolarHBondContact CZ-O 3.03Å; Q719-V732 CarbonylContact C-O 3.28Å; Q719-V732 VanDerWaalsContact CA-O 3.27Å; Q719-V732 WeakPolarHBondContact CA-O 3.06Å; L720-V732 HydrophobicContact CB-CB 4.4Å; L720-V732 PolarHBondContact N-O 2.87Å; L720-V732 PolarHBondContact O-N 3.43Å; V722-V732 HydrophobicContact CG2-CG2 3.72Å; V732-V737 HydrophobicContact CG1-CG2 3.6Å
733	T	88.6	Confident	87.8	Confident	39 Å²	39	42.4 Å²	42.4	24%	0.239	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	161.6	171.1	73.3	0	0	0	0	110.8	Q719 K735 D736 V737	Q719-T733 HydrophobicContact CB-CG2 4.38Å; T733-K735 PolarHBondContact O-N 3.48Å; T733-K735 VanDerWaalsContact O-N 3.11Å; T733-K735 PolarHBondContact OG1-N 3.26Å; T733-D736 VanDerWaalsContact CB-OD2 3.3Å; T733-D736 WeakPolarHBondContact CB-OD2 3.35Å; T733-D736 WeakPolarHBondContact CG2-OD2 3.49Å; T733-D736 PolarHBondContact N-OD2 2.92Å; T733-D736 PolarHBondContact O-N 3.26Å; T733-D736 VanDerWaalsContact OG1-CG 3.26Å; T733-D736 PolarHBondContact OG1-N 3.49Å; T733-D736 PolarHBondContact OG1-OD2 3.37Å; T733-V737 PolarHBondContact O-N 3.18Å; T733-V737 VanDerWaalsContact O-N 3.15Å
734	K	82.5	Confident	87.2	Confident	16 Å²	16	43 Å²	43	7%	0.07	22%	0.219	C	C	.	.	H	α-helix	trans	-54.7	-31.5	174.6	-169.5	172.9	-176.8	-179.7	0	112.2	T31 S189 F191 F712 L738	T31-K734 HydrophobicContact CG2-CD 4.35Å; S189-K734 PolarHBondContact O-NZ 3.48Å; S189-K734 PolarHBondContact OG-NZ 3.29Å; F191-K734 HydrophobicContact CE1-CD 4.38Å; F191-K734 HydrophobicContact CE2-CD 3.98Å; F191-K734 VanDerWaalsContact CE2-CE 3.45Å; F191-K734 VanDerWaalsContact CE2-NZ 3.26Å; F191-K734 HydrophobicContact CZ-CD 3.54Å; F191-K734 HydrophobicContact CZ-CG 4.1Å; F712-K734 HydrophobicContact CD1-CB 4.24Å; F712-K734 HydrophobicContact CE1-CB 4.4Å; K734-L738 HydrophobicContact CG-CD1 4.45Å; K734-L738 VanDerWaalsContact O-CG 3.28Å; K734-L738 WeakPolarHBondContact O-CG 3.32Å; K734-L738 PolarHBondContact O-N 2.84Å; K734-L738 VanDerWaalsContact O-N 3.14Å
735	K	81	Confident	86.2	Confident	44 Å²	44	42.4 Å²	42.4	19%	0.191	22%	0.217	C	C	.	.	H	α-helix	trans	-68.9	-39.4	176.1	-68.6	-176.4	172.9	-173.3	0	112.2	Y26 D27 T733 L738 K739	Y26-K735 WeakPolarHBondContact O-CE 3.48Å; Y26-K735 PolarHBondContact O-NZ 3.5Å; D27-K735 IonicContact OD1-NZ 3.61Å; D27-K735 PolarHBondContact OD1-NZ 3.26Å; T733-K735 PolarHBondContact O-N 3.48Å; T733-K735 VanDerWaalsContact O-N 3.11Å; T733-K735 PolarHBondContact OG1-N 3.26Å; K735-L738 PolarHBondContact O-N 3.16Å; K735-K739 WeakPolarHBondContact O-CB 3.05Å; K735-K739 WeakPolarHBondContact O-CG 3.19Å; K735-K739 PolarHBondContact O-N 3.26Å
736	D	87.1	Confident	85.3	Confident	23 Å²	23	39 Å²	39	12%	0.123	20%	0.202	C	C	.	.	H	α-helix	trans	-67	-41.4	179.7	-55.7	-49.3	0	0	0	110.7	V592 T733 K739 H740	V592-D736 HydrophobicContact CG1-CB 4.03Å; T733-D736 VanDerWaalsContact CB-OD2 3.3Å; T733-D736 WeakPolarHBondContact CB-OD2 3.35Å; T733-D736 WeakPolarHBondContact CG2-OD2 3.49Å; T733-D736 PolarHBondContact N-OD2 2.92Å; T733-D736 PolarHBondContact O-N 3.26Å; T733-D736 VanDerWaalsContact OG1-CG 3.26Å; T733-D736 PolarHBondContact OG1-N 3.49Å; T733-D736 PolarHBondContact OG1-OD2 3.37Å; D736-K739 PolarHBondContact O-N 2.81Å; D736-H740 WeakPolarHBondContact O-CB 3.45Å; D736-H740 PolarHBondContact O-N 3.3Å
737	V	87.3	Confident	84.4	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-58.3	-49.1	173.3	177.1	0	0	0	0	111.1	L577 M705 I709 F712 V732 T733 K739 H740 I741	L577-V737 HydrophobicContact CD1-CG1 4.27Å; M705-V737 HydrophobicContact CE-CG1 4.24Å; M705-V737 HydrophobicContact CE-CG2 4.38Å; I709-V737 HydrophobicContact CD1-CG1 4.38Å; I709-V737 HydrophobicContact CG1-CG1 3.67Å; F712-V737 HydrophobicContact CD2-CG2 3.85Å; F712-V737 HydrophobicContact CE2-CG2 3.8Å; V732-V737 HydrophobicContact CG1-CG2 3.6Å; T733-V737 PolarHBondContact O-N 3.18Å; T733-V737 VanDerWaalsContact O-N 3.15Å; V737-K739 PolarHBondContact O-N 2.96Å; V737-H740 PolarHBondContact O-N 3.19Å; V737-I741 HydrophobicContact CG1-CD1 3.88Å; V737-I741 WeakPolarHBondContact O-CG1 3Å; V737-I741 PolarHBondContact O-N 3.02Å
738	L	83.1	Confident	82.9	Confident	11 Å²	11	40.6 Å²	40.6	6%	0.058	21%	0.206	C	C	.	.	H	α-helix	trans	-64	-40.8	179.1	-71.6	171.5	0	0	0	112.7	F191 P575 F576 L577 K734 K735 H740 I741 N742	F191-L738 HydrophobicContact CZ-CD1 4.14Å; P575-L738 HydrophobicContact CB-CD1 3.54Å; F576-L738 VanDerWaalsContact O-CD2 3.24Å; F576-L738 WeakPolarHBondContact O-CD2 3.2Å; L577-L738 HydrophobicContact CB-CD2 4.04Å; L577-L738 HydrophobicContact CD1-CD2 3.96Å; K734-L738 HydrophobicContact CG-CD1 4.45Å; K734-L738 VanDerWaalsContact O-CG 3.28Å; K734-L738 WeakPolarHBondContact O-CG 3.32Å; K734-L738 PolarHBondContact O-N 2.84Å; K734-L738 VanDerWaalsContact O-N 3.14Å; K735-L738 PolarHBondContact O-N 3.16Å; L738-H740 VanDerWaalsContact C-N 3.31Å; L738-H740 PolarHBondContact O-N 2.95Å; L738-I741 PolarHBondContact O-N 3.03Å; L738-N742 PolarHBondContact O-N 3.14Å
739	K	83	Confident	81.1	Confident	57 Å²	57	43 Å²	43	25%	0.248	23%	0.225	C	C	.	.	H	α-helix	trans	-61.6	-41.9	175.4	-76.8	178.7	179.3	-175.2	0	111.4	K735 D736 V737 N742 Q743	K735-K739 WeakPolarHBondContact O-CB 3.05Å; K735-K739 WeakPolarHBondContact O-CG 3.19Å; K735-K739 PolarHBondContact O-N 3.26Å; D736-K739 PolarHBondContact O-N 2.81Å; V737-K739 PolarHBondContact O-N 2.96Å; K739-N742 PolarHBondContact O-N 3.33Å; K739-Q743 VanDerWaalsContact O-CG 3.27Å; K739-Q743 WeakPolarHBondContact O-CG 3.29Å; K739-Q743 PolarHBondContact O-N 3.49Å
740	H	85.2	Confident	78.8	Confident	15 Å²	15	46.6 Å²	46.6	7%	0.069	23%	0.234	C	C	.	.	H	α-helix	trans	-65.3	-44.3	178.1	-172.3	70.6	0	0	0	112.3	T587 V592 D736 V737 L738 N742 Q743 L744	T587-H740 PolarHBondContact OG1-NE2 3.43Å; V592-H740 HydrophobicContact CG1-CB 4.1Å; V592-H740 HydrophobicContact CG2-CB 3.94Å; V592-H740 VanDerWaalsContact CG2-CD2 3.4Å; V592-H740 WeakPolarHBondContact CG2-CD2 3.37Å; V592-H740 VanDerWaalsContact CG2-CG 3.43Å; D736-H740 WeakPolarHBondContact O-CB 3.45Å; D736-H740 PolarHBondContact O-N 3.3Å; V737-H740 PolarHBondContact O-N 3.19Å; L738-H740 VanDerWaalsContact C-N 3.31Å; L738-H740 PolarHBondContact O-N 2.95Å; H740-N742 PolarHBondContact O-N 2.01Å; H740-Q743 WeakPolarHBondContact O-CB 3.33Å; H740-Q743 PolarHBondContact O-N 3.15Å; H740-L744 WeakPolarHBondContact O-CG 3.46Å; H740-L744 PolarHBondContact O-N 3.01Å
741	I	83.8	Confident	76.5	Confident	26 Å²	26	49.1 Å²	49.1	13%	0.133	26%	0.255	C	S	.	.	H	α-helix	trans	-58.9	-47.9	175.3	-67.3	164.8	0	0	0	110.6	L577 F583 I709 V737 L738 Q743 L744 E745	L577-I741 HydrophobicContact CD1-CD1 3.76Å; F583-I741 HydrophobicContact CD2-CG1 4.3Å; F583-I741 HydrophobicContact CE2-CG1 3.95Å; I709-I741 HydrophobicContact CD1-CD1 4.19Å; V737-I741 HydrophobicContact CG1-CD1 3.88Å; V737-I741 WeakPolarHBondContact O-CG1 3Å; V737-I741 PolarHBondContact O-N 3.02Å; L738-I741 PolarHBondContact O-N 3.03Å; I741-Q743 VanDerWaalsContact C-N 3.28Å; I741-Q743 PolarHBondContact O-N 3.46Å; I741-L744 PolarHBondContact O-N 3.48Å; I741-E745 PolarHBondContact O-N 2.67Å
742	N	78.3	Confident	74.4	Confident	56 Å²	56	54.2 Å²	54.2	30%	0.299	28%	0.281	S	S	.	.	H	α-helix	trans	-63.6	-32.4	178.3	-71.8	-14.5	0	0	0	112.9	Y26 L738 K739 H740 N746	Y26-N742 PolarHBondContact OH-ND2 3.23Å; L738-N742 PolarHBondContact O-N 3.14Å; K739-N742 PolarHBondContact O-N 3.33Å; H740-N742 PolarHBondContact O-N 2.01Å; N742-N746 VanDerWaalsContact O-CG 3.27Å; N742-N746 PolarHBondContact O-N 3.35Å; N742-N746 PolarHBondContact O-ND2 2.99Å
743	Q	80.9	Confident	71.7	Confident	88 Å²	88	60.8 Å²	60.8	41%	0.411	32%	0.316	S	S	.	.	H	α-helix	trans	-65.4	-48.2	175.2	-77.8	172.8	-15.5	0	0	110.6	K739 H740 I741 E745 N746 D747	K739-Q743 VanDerWaalsContact O-CG 3.27Å; K739-Q743 WeakPolarHBondContact O-CG 3.29Å; K739-Q743 PolarHBondContact O-N 3.49Å; H740-Q743 WeakPolarHBondContact O-CB 3.33Å; H740-Q743 PolarHBondContact O-N 3.15Å; I741-Q743 VanDerWaalsContact C-N 3.28Å; I741-Q743 PolarHBondContact O-N 3.46Å; Q743-E745 PolarHBondContact O-N 2.94Å; Q743-N746 PolarHBondContact O-N 2.54Å; Q743-D747 PolarHBondContact O-N 3.01Å
744	L	80.6	Confident	69.5	Low	29 Å²	29	68.4 Å²	68.4	15%	0.152	34%	0.342	C	S	.	.	H	α-helix	trans	-61.5	-42.9	177.3	-66.1	169.8	0	0	0	112.4	F583 H585 T587 H740 I741 N746 D747 D748	F583-L744 HydrophobicContact CE2-CD1 3.96Å; F583-L744 HydrophobicContact CZ-CD1 3.69Å; H585-L744 HydrophobicContact CB-CD1 4.02Å; T587-L744 HydrophobicContact CG2-CD1 4.45Å; H740-L744 WeakPolarHBondContact O-CG 3.46Å; H740-L744 PolarHBondContact O-N 3.01Å; I741-L744 PolarHBondContact O-N 3.48Å; L744-N746 VanDerWaalsContact C-N 3.29Å; L744-N746 PolarHBondContact O-N 2.98Å; L744-D747 PolarHBondContact O-N 3.26Å; L744-D748 PolarHBondContact O-N 3.2Å
745	E	73.7	Confident	67.2	Low	66 Å²	66	75 Å²	75	31%	0.308	39%	0.39	S	S	.	.	H	α-helix	trans	-61.3	-37.2	176.9	-74.3	-167.5	149.7	0	0	112.6	K562 I741 Q743 S749	K562-E745 IonicContact NZ-OE1 2.89Å; K562-E745 PolarHBondContact NZ-OE1 2.85Å; K562-E745 IonicContact NZ-OE2 3.3Å; K562-E745 PolarHBondContact NZ-OE2 3.21Å; I741-E745 PolarHBondContact O-N 2.67Å; Q743-E745 PolarHBondContact O-N 2.94Å; E745-S749 PolarHBondContact O-N 3.41Å; E745-S749 VanDerWaalsContact O-N 3.16Å; E745-S749 PolarHBondContact O-OG 3.48Å
746	N	70.7	Confident	66.5	Low	94 Å²	94	76.6 Å²	76.6	50%	0.503	40%	0.399	S	S	.	.	H	α-helix	trans	-70.7	-42.7	177	-73.1	-35.3	0	0	0	111.2	N742 Q743 L744 D748 S749 Y750	N742-N746 VanDerWaalsContact O-CG 3.27Å; N742-N746 PolarHBondContact O-N 3.35Å; N742-N746 PolarHBondContact O-ND2 2.99Å; Q743-N746 PolarHBondContact O-N 2.54Å; L744-N746 VanDerWaalsContact C-N 3.29Å; L744-N746 PolarHBondContact O-N 2.98Å; N746-D748 VanDerWaalsContact C-N 3.35Å; N746-D748 PolarHBondContact O-N 3.42Å; N746-S749 WeakPolarHBondContact O-CB 3.39Å; N746-S749 PolarHBondContact O-N 2.73Å; N746-S749 VanDerWaalsContact O-N 3.16Å; N746-Y750 WeakPolarHBondContact O-CD2 3.36Å; N746-Y750 PolarHBondContact O-N 2.78Å
747	D	68.8	Low	65.5	Low	101 Å²	101	79.4 Å²	79.4	54%	0.54	41%	0.414	S	S	.	.	H	α-helix	trans	-62.5	-41.4	178.9	-69.2	-15.5	0	0	0	111.4	Q743 L744 S749 Y750 A751	Q743-D747 PolarHBondContact O-N 3.01Å; L744-D747 PolarHBondContact O-N 3.26Å; D747-S749 VanDerWaalsContact C-N 3.33Å; D747-S749 PolarHBondContact O-N 3.2Å; D747-Y750 PolarHBondContact O-N 3.1Å; D747-A751 WeakPolarHBondContact O-CB 3.4Å; D747-A751 PolarHBondContact O-N 3.11Å
748	D	60.3	Low	64.2	Low	77 Å²	77	83.8 Å²	83.8	41%	0.412	44%	0.437	S	S	.	.	H	α-helix	trans	-61.9	-40.6	173.2	-77.4	-6.5	0	0	0	111.9	H585 L744 N746 Y750 A751 I752	H585-D748 IonicContact CE1-OD2 3.94Å; H585-D748 PolarHBondContact CE1-OD2 3.03Å; H585-D748 VanDerWaalsContact CE1-OD2 3.3Å; H585-D748 IonicContact NE2-OD2 3.79Å; L744-D748 PolarHBondContact O-N 3.2Å; N746-D748 VanDerWaalsContact C-N 3.35Å; N746-D748 PolarHBondContact O-N 3.42Å; D748-Y750 VanDerWaalsContact C-N 3.31Å; D748-Y750 PolarHBondContact O-N 3.19Å; D748-A751 PolarHBondContact O-N 3.49Å; D748-I752 VanDerWaalsContact O-CG1 3.3Å; D748-I752 WeakPolarHBondContact O-CG1 3.43Å; D748-I752 PolarHBondContact O-N 3.18Å
749	S	56.8	Low	63.1	Low	67 Å²	67	88.1 Å²	88.1	47%	0.469	46%	0.459	S	S	.	.	H	α-helix	trans	-64	-36.8	178	-60.4	0	0	0	0	111.9	E745 N746 D747 L753	E745-S749 PolarHBondContact O-N 3.41Å; E745-S749 VanDerWaalsContact O-N 3.16Å; E745-S749 PolarHBondContact O-OG 3.48Å; N746-S749 WeakPolarHBondContact O-CB 3.39Å; N746-S749 PolarHBondContact O-N 2.73Å; N746-S749 VanDerWaalsContact O-N 3.16Å; D747-S749 VanDerWaalsContact C-N 3.33Å; D747-S749 PolarHBondContact O-N 3.2Å; S749-L753 PolarHBondContact O-N 3.36Å
750	Y	42.8	Very low	61.9	Low	144 Å²	144	90 Å²	90	57%	0.565	47%	0.473	S	S	*	.	H	α-helix	trans	-72	-40.5	173.3	-79.7	-73	0	0	0	111.9	N746 D747 D748 I752 L753 Y754	N746-Y750 WeakPolarHBondContact O-CD2 3.36Å; N746-Y750 PolarHBondContact O-N 2.78Å; D747-Y750 PolarHBondContact O-N 3.1Å; D748-Y750 VanDerWaalsContact C-N 3.31Å; D748-Y750 PolarHBondContact O-N 3.19Å; Y750-I752 VanDerWaalsContact C-N 3.28Å; Y750-I752 PolarHBondContact O-N 2.96Å; Y750-L753 PolarHBondContact O-N 2.89Å; Y750-L753 VanDerWaalsContact O-N 3.12Å; Y750-Y754 HydrophobicContact CD1-CE2 4.16Å; Y750-Y754 VanDerWaalsContact O-CD2 3.29Å; Y750-Y754 WeakPolarHBondContact O-CD2 3.39Å; Y750-Y754 PolarHBondContact O-N 3.36Å
751	A	45.9	Very low	60.3	Low	53 Å²	53	95 Å²	95	44%	0.438	50%	0.499	S	S	.	.	H	α-helix	trans	-60.2	-37.2	178	0	0	0	0	0	112.7	D747 D748 Y754 S755	D747-A751 WeakPolarHBondContact O-CB 3.4Å; D747-A751 PolarHBondContact O-N 3.11Å; D748-A751 PolarHBondContact O-N 3.49Å; A751-Y754 PolarHBondContact O-N 3.09Å; A751-S755 WeakPolarHBondContact O-CB 3.3Å; A751-S755 PolarHBondContact O-N 3.39Å; A751-S755 VanDerWaalsContact O-N 3.13Å; A751-S755 PolarHBondContact O-OG 2.9Å
752	I	49	Very low	58.7	Low	132 Å²	132	99.9 Å²	99.9	68%	0.677	53%	0.526	S	S	*	.	H	α-helix	trans	-72.2	-26.8	177	-64	164.9	0	0	0	112.5	D748 Y750	D748-I752 VanDerWaalsContact O-CG1 3.3Å; D748-I752 WeakPolarHBondContact O-CG1 3.43Å; D748-I752 PolarHBondContact O-N 3.18Å; Y750-I752 VanDerWaalsContact C-N 3.28Å; Y750-I752 PolarHBondContact O-N 2.96Å
753	L	37.2	Very low	57.2	Low	139 Å²	139	103.3 Å²	103.3	73%	0.728	54%	0.543	S	S	*	.	H	α-helix	trans	-81.2	-16.8	177.4	-96	153.3	0	0	0	113.5	S749 Y750	S749-L753 PolarHBondContact O-N 3.36Å; Y750-L753 PolarHBondContact O-N 2.89Å; Y750-L753 VanDerWaalsContact O-N 3.12Å
754	Y	42	Very low	55.2	Low	199 Å²	199	104.6 Å²	104.6	78%	0.78	55%	0.554	S	S	*	*			trans	-116.9	7.1	-178.8	-71.5	-73.7	0	0	0	114	Y750 A751	Y750-Y754 HydrophobicContact CD1-CE2 4.16Å; Y750-Y754 VanDerWaalsContact O-CD2 3.29Å; Y750-Y754 WeakPolarHBondContact O-CD2 3.39Å; Y750-Y754 PolarHBondContact O-N 3.36Å; A751-Y754 PolarHBondContact O-N 3.09Å
755	S	34.3	Very low	52.9	Low	154 Å²	154	111.5 Å²	111.5	100%	1.077	59%	0.591	S	S	*	*			trans	-104.8	0	167.2	-55.4	0	0	0	0	109.5	A751	A751-S755 WeakPolarHBondContact O-CB 3.3Å; A751-S755 PolarHBondContact O-N 3.39Å; A751-S755 VanDerWaalsContact O-N 3.13Å; A751-S755 PolarHBondContact O-OG 2.9Å

Retrieved 755 of 755 residues in 817.5 ms (Link to these results)

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