A0A077Z5C2_TRITR Loading...

Nose resistant to fluoxetine protein 6

AlphaFold DB , UniProt , Accession A0A077Z5C2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 784 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	40.4	Very low	53.6	Low	195 Å²	195	132.5 Å²	132.5	96%	0.961	65%	0.653	S	S	*	*				0	-64.4	0	-73.7	-76.1	-103.9	0	0	111.6	R3 Y4 F5	M1-R3 VanDerWaalsContact C-N 3.31Å; M1-R3 PolarHBondContact O-N 2.92Å; M1-Y4 PolarHBondContact O-N 3.01Å; M1-F5 PolarHBondContact O-N 2.9Å; M1-F5 VanDerWaalsContact O-N 3.08Å
2	A	49.3	Very low	52.7	Low	84 Å²	84	132 Å²	132	69%	0.694	65%	0.654	S	S	*	*	H	α-helix	trans	-57.8	-35.6	176.8	0	0	0	0	0	114.5	Y4 F5 L6	A2-Y4 PolarHBondContact O-N 3.15Å; A2-F5 PolarHBondContact O-N 3.13Å; A2-L6 PolarHBondContact O-N 3.39Å; A2-L6 VanDerWaalsContact O-N 3.11Å
3	R	48.1	Very low	51.4	Low	219 Å²	219	135.5 Å²	135.5	83%	0.826	66%	0.663	S	S	*	*	H	α-helix	trans	-67.2	-31.4	173.7	-72.6	-175.1	179.4	178	-0.7	114	M1 L7	M1-R3 VanDerWaalsContact C-N 3.31Å; M1-R3 PolarHBondContact O-N 2.92Å; R3-L7 PolarHBondContact O-N 3.42Å
4	Y	64.4	Low	50.1	Low	183 Å²	183	131.3 Å²	131.3	72%	0.718	66%	0.661	S	S	*	*	H	α-helix	trans	-76.8	-31.1	175.5	-70	-73.3	0	0	0	111.7	M1 A2 L7 L8	M1-Y4 PolarHBondContact O-N 3.01Å; A2-Y4 PolarHBondContact O-N 3.15Å; Y4-L7 PolarHBondContact O-N 2.99Å; Y4-L8 PolarHBondContact O-N 3.16Å
5	F	59	Low	48.7	Very low	147 Å²	147	132.5 Å²	132.5	65%	0.645	66%	0.664	S	S	*	*	H	α-helix	trans	-67.4	-39.7	174.2	-162.2	-98.4	0	0	0	111.9	M1 A2 L7 L8 V9	M1-F5 PolarHBondContact O-N 2.9Å; M1-F5 VanDerWaalsContact O-N 3.08Å; A2-F5 PolarHBondContact O-N 3.13Å; F5-L7 VanDerWaalsContact C-N 3.35Å; F5-L7 PolarHBondContact O-N 2.94Å; F5-L8 PolarHBondContact O-N 3.36Å; F5-V9 HydrophobicContact CD1-CG2 4.44Å; F5-V9 HydrophobicContact CE1-CG2 4.33Å; F5-V9 WeakPolarHBondContact O-CG2 3.3Å; F5-V9 PolarHBondContact O-N 3.37Å; F5-V9 VanDerWaalsContact O-N 3.13Å
6	L	58.7	Low	47.4	Very low	118 Å²	118	137.1 Å²	137.1	62%	0.618	67%	0.671	S	S	*	*	H	α-helix	trans	-66	-37.3	175.1	-144.8	93.2	0	0	0	112.2	A2 V9 I10	A2-L6 PolarHBondContact O-N 3.39Å; A2-L6 VanDerWaalsContact O-N 3.11Å; L6-V9 PolarHBondContact O-N 3.4Å; L6-I10 HydrophobicContact CD2-CD1 4.43Å; L6-I10 VanDerWaalsContact O-CG1 3.3Å; L6-I10 WeakPolarHBondContact O-CG1 3.37Å; L6-I10 PolarHBondContact O-N 3.49Å; L6-I10 VanDerWaalsContact O-N 3.07Å
7	L	60.2	Low	46.3	Very low	105 Å²	105	135.7 Å²	135.7	55%	0.55	68%	0.675	S	S	.	*	H	α-helix	trans	-70.2	-34.8	178.3	-132.5	137.2	0	0	0	112.1	R3 Y4 F5 I10 L11	R3-L7 PolarHBondContact O-N 3.42Å; Y4-L7 PolarHBondContact O-N 2.99Å; F5-L7 VanDerWaalsContact C-N 3.35Å; F5-L7 PolarHBondContact O-N 2.94Å; L7-I10 PolarHBondContact O-N 3.4Å; L7-L11 HydrophobicContact CD2-CD1 4.09Å; L7-L11 WeakPolarHBondContact O-CB 3.38Å; L7-L11 WeakPolarHBondContact O-CG 3.46Å; L7-L11 PolarHBondContact O-N 2.8Å
8	L	56	Low	45.3	Very low	103 Å²	103	135.4 Å²	135.4	54%	0.539	68%	0.684	S	S	.	*	H	α-helix	trans	-67.5	-37.3	174	-158	96.7	0	0	0	112	Y4 F5 L11 L12	Y4-L8 PolarHBondContact O-N 3.16Å; F5-L8 PolarHBondContact O-N 3.36Å; L8-L11 PolarHBondContact O-N 2.76Å; L8-L12 HydrophobicContact CD2-CD1 4.27Å; L8-L12 HydrophobicContact CG-CD1 4.41Å; L8-L12 WeakPolarHBondContact O-CG 3.32Å; L8-L12 PolarHBondContact O-N 2.96Å; L8-L12 VanDerWaalsContact O-N 3.13Å
9	V	55.1	Low	44.3	Very low	67 Å²	67	135.3 Å²	135.3	41%	0.406	69%	0.691	S	S	.	*	H	α-helix	trans	-70.6	-36.8	177	173.9	0	0	0	0	111.4	F5 L6 L12 F13	F5-V9 HydrophobicContact CD1-CG2 4.44Å; F5-V9 HydrophobicContact CE1-CG2 4.33Å; F5-V9 WeakPolarHBondContact O-CG2 3.3Å; F5-V9 PolarHBondContact O-N 3.37Å; F5-V9 VanDerWaalsContact O-N 3.13Å; L6-V9 PolarHBondContact O-N 3.4Å; V9-L12 PolarHBondContact O-N 3.19Å; V9-F13 HydrophobicContact CG1-CD2 4.43Å; V9-F13 PolarHBondContact O-N 2.8Å
10	I	51	Low	43.7	Very low	111 Å²	111	134.7 Å²	134.7	57%	0.569	70%	0.698	S	S	*	*	H	α-helix	trans	-68.2	-37.1	175.3	-66.5	165.8	0	0	0	111.1	L6 L7 L12 A14	L6-I10 HydrophobicContact CD2-CD1 4.43Å; L6-I10 VanDerWaalsContact O-CG1 3.3Å; L6-I10 WeakPolarHBondContact O-CG1 3.37Å; L6-I10 PolarHBondContact O-N 3.49Å; L6-I10 VanDerWaalsContact O-N 3.07Å; L7-I10 PolarHBondContact O-N 3.4Å; I10-L12 VanDerWaalsContact C-N 3.32Å; I10-L12 PolarHBondContact O-N 3.01Å; I10-A14 PolarHBondContact O-N 2.81Å
11	L	47.5	Very low	42.9	Very low	125 Å²	125	133.2 Å²	133.2	65%	0.654	71%	0.706	S	S	*	*	H	α-helix	trans	-71.3	-24.1	176.4	-76.7	167.2	0	0	0	113.6	L7 L8	L7-L11 HydrophobicContact CD2-CD1 4.09Å; L7-L11 WeakPolarHBondContact O-CB 3.38Å; L7-L11 WeakPolarHBondContact O-CG 3.46Å; L7-L11 PolarHBondContact O-N 2.8Å; L8-L11 PolarHBondContact O-N 2.76Å
12	L	42.6	Very low	42.5	Very low	127 Å²	127	127.8 Å²	127.8	67%	0.665	70%	0.7	S	S	*	*	H	α-helix	trans	-84.5	-14.3	178.9	-76.9	167.8	0	0	0	114	L8 V9 I10	L8-L12 HydrophobicContact CD2-CD1 4.27Å; L8-L12 HydrophobicContact CG-CD1 4.41Å; L8-L12 WeakPolarHBondContact O-CG 3.32Å; L8-L12 PolarHBondContact O-N 2.96Å; L8-L12 VanDerWaalsContact O-N 3.13Å; V9-L12 PolarHBondContact O-N 3.19Å; I10-L12 VanDerWaalsContact C-N 3.32Å; I10-L12 PolarHBondContact O-N 3.01Å
13	F	36.5	Very low	41.6	Very low	177 Å²	177	127.5 Å²	127.5	78%	0.776	71%	0.705	S	S	*	*	S	Bend	trans	-115.3	9.1	179.6	-77.8	-78.7	0	0	0	114.4	V9 E15	V9-F13 HydrophobicContact CG1-CD2 4.43Å; V9-F13 PolarHBondContact O-N 2.8Å; F13-E15 PolarHBondContact O-N 3.14Å; F13-E15 VanDerWaalsContact O-N 3.14Å
14	A	32.1	Very low	40.8	Very low	77 Å²	77	126.4 Å²	126.4	64%	0.636	71%	0.709	S	S	*	*			trans	-80.4	95.1	173.1	0	0	0	0	0	111.4	I10	I10-A14 PolarHBondContact O-N 2.81Å
15	E	29.8	Very low	39.2	Very low	150 Å²	150	126.5 Å²	126.5	70%	0.701	72%	0.716	S	S	*	*			trans	17	127.3	148.9	-76	-162.8	117.3	0	0	121.8	F13	F13-E15 PolarHBondContact O-N 3.14Å; F13-E15 VanDerWaalsContact O-N 3.14Å
16	R	28.5	Very low	38	Very low	206 Å²	206	125.5 Å²	125.5	78%	0.777	71%	0.712	S	S	*	*			trans	89.6	129.3	136.8	-71.2	176.1	-165.7	-154.7	3.1	119.9
17	P	28	Very low	36.8	Very low	113 Å²	113	124.5 Å²	124.5	73%	0.734	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-79.7	138.1	-177.6	32.9	-33.2	0	0	0	111.6	T19	P17-T19 PolarHBondContact O-N 3.33Å
18	P	28.9	Very low	35.7	Very low	131 Å²	131	129.2 Å²	129.2	85%	0.851	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-79.4	120.5	168.3	30.8	-29	0	0	0	109.8
19	T	26.6	Very low	35.1	Very low	133 Å²	133	129.6 Å²	129.6	82%	0.816	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-80.7	122.3	160.8	46.8	0	0	0	0	109.7	P17	P17-T19 PolarHBondContact O-N 3.33Å
20	C	30.5	Very low	34.4	Very low	122 Å²	122	127.7 Å²	127.7	82%	0.824	72%	0.718	S	S	*	*			trans	-156.6	114.1	151.8	-81.9	0	0	0	0	104.8
21	A	28.8	Very low	33.7	Very low	104 Å²	104	125.9 Å²	125.9	86%	0.86	71%	0.709	S	S	*	*				55	115	63.8	0	0	0	0	0	112.8
22	G	31.1	Very low	33.9	Very low	82 Å²	82	123.7 Å²	123.7	85%	0.845	70%	0.704	S	S	*	*			trans	117.1	109.9	167.1	0	0	0	0	0	114
23	G	30.7	Very low	34.3	Very low	77 Å²	77	124.6 Å²	124.6	79%	0.794	70%	0.699	S	S	*	*			trans	-73.6	147.3	172.7	0	0	0	0	0	112.3
24	E	31.2	Very low	34.6	Very low	196 Å²	196	122.9 Å²	122.9	92%	0.916	69%	0.688	S	S	*	*			trans	-159.4	156.3	157.5	-113.9	176.9	-154	0	0	111.4
25	Q	31.5	Very low	35.3	Very low	185 Å²	185	124.3 Å²	124.3	86%	0.864	68%	0.684	S	S	*	*			trans	-65.7	144.2	-155	-74.2	161.6	-43.5	0	0	116.2	T27	Q25-T27 PolarHBondContact O-N 2.84Å
26	F	32	Very low	36.6	Very low	127 Å²	127	121.1 Å²	121.1	56%	0.557	68%	0.675	S	S	*	*			trans	-74.2	108.2	-179.3	-165.9	-92.7	0	0	0	111.4	S30	F26-S30 WeakPolarHBondContact CE2-OG 3.49Å; F26-S30 WeakPolarHBondContact CZ-OG 3.49Å
27	T	35.3	Very low	38	Very low	96 Å²	96	116.1 Å²	116.1	59%	0.589	66%	0.66	S	S	*	*			trans	-96.6	141.8	171.2	46.6	0	0	0	0	111.4	Q25 T29 S30	Q25-T27 PolarHBondContact O-N 2.84Å; T27-T29 PolarHBondContact O-N 2.64Å; T27-S30 WeakPolarHBondContact O-CB 3.44Å; T27-S30 PolarHBondContact O-N 3.27Å
28	W	35.6	Very low	39	Very low	205 Å²	205	115.6 Å²	115.6	78%	0.777	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.5	-14.1	-167.9	-84.2	91.7	0	0	0	116.5	S30 L31	W28-S30 PolarHBondContact O-N 2.93Å; W28-L31 HydrophobicContact CE3-CD2 4.38Å; W28-L31 HydrophobicContact CZ3-CD2 3.87Å; W28-L31 PolarHBondContact O-N 3Å
29	T	43.2	Very low	39.9	Very low	111 Å²	111	118.2 Å²	118.2	68%	0.681	64%	0.644	S	S	*	*	H	α-helix	trans	-62	-23.6	169.2	51.2	0	0	0	0	111.8	T27 Y33	T27-T29 PolarHBondContact O-N 2.64Å; T29-Y33 VanDerWaalsContact O-CB 3.24Å; T29-Y33 WeakPolarHBondContact O-CB 3.35Å; T29-Y33 PolarHBondContact O-N 3.17Å; T29-Y33 VanDerWaalsContact O-N 3.1Å
30	S	40.3	Very low	41.3	Very low	26 Å²	26	113.4 Å²	113.4	18%	0.182	62%	0.618	C	S	.	*	H	α-helix	trans	-71.5	-26.9	178.3	121.3	0	0	0	0	114	F26 T27 W28 R34	F26-S30 WeakPolarHBondContact CE2-OG 3.49Å; F26-S30 WeakPolarHBondContact CZ-OG 3.49Å; T27-S30 WeakPolarHBondContact O-CB 3.44Å; T27-S30 PolarHBondContact O-N 3.27Å; W28-S30 PolarHBondContact O-N 2.93Å; S30-R34 WeakPolarHBondContact O-CA 3.39Å; S30-R34 WeakPolarHBondContact O-CB 3.47Å; S30-R34 WeakPolarHBondContact O-CG 3.36Å; S30-R34 PolarHBondContact O-N 3.07Å; S30-R34 PolarHBondContact OG-NE 2.89Å
31	L	37.5	Very low	42.7	Very low	73 Å²	73	110.1 Å²	110.1	38%	0.382	60%	0.596	S	S	.	*	H	α-helix	trans	-79.3	-43.2	-178.7	-168.4	75.6	0	0	0	111.9	W28 Y33 R34 L35	W28-L31 HydrophobicContact CE3-CD2 4.38Å; W28-L31 HydrophobicContact CZ3-CD2 3.87Å; W28-L31 PolarHBondContact O-N 3Å; L31-Y33 VanDerWaalsContact C-N 3.32Å; L31-R34 PolarHBondContact O-N 3.25Å; L31-L35 HydrophobicContact CG-CD1 4.14Å; L31-L35 WeakPolarHBondContact O-CB 3.47Å; L31-L35 WeakPolarHBondContact O-CG 3.46Å; L31-L35 PolarHBondContact O-N 3.18Å
32	S	50.4	Low	43.5	Very low	79 Å²	79	109.7 Å²	109.7	55%	0.552	58%	0.579	S	S	*	*	H	α-helix	trans	-60.7	-44.7	170.3	168.3	0	0	0	0	110.2	R34 L35 T36	S32-R34 PolarHBondContact O-N 3.13Å; S32-L35 PolarHBondContact O-N 3Å; S32-T36 VanDerWaalsContact O-CB 3.31Å; S32-T36 WeakPolarHBondContact O-CB 3.31Å; S32-T36 PolarHBondContact O-N 3.25Å; S32-T36 PolarHBondContact O-OG1 2.9Å
33	Y	52.5	Low	44.6	Very low	146 Å²	146	110.7 Å²	110.7	57%	0.573	57%	0.565	S	S	*	*	H	α-helix	trans	-63.7	-41.8	175.6	-172.6	-100.5	0	0	0	112.4	T29 L31 T36 Q37	T29-Y33 VanDerWaalsContact O-CB 3.24Å; T29-Y33 WeakPolarHBondContact O-CB 3.35Å; T29-Y33 PolarHBondContact O-N 3.17Å; T29-Y33 VanDerWaalsContact O-N 3.1Å; L31-Y33 VanDerWaalsContact C-N 3.32Å; Y33-T36 PolarHBondContact O-N 3.06Å; Y33-Q37 HydrophobicContact CD1-CG 4.07Å; Y33-Q37 VanDerWaalsContact CE1-CD 3.43Å; Y33-Q37 HydrophobicContact CE1-CG 3.72Å; Y33-Q37 HydrophobicContact CE2-CG 4.48Å; Y33-Q37 VanDerWaalsContact CZ-NE2 3.28Å; Y33-Q37 WeakPolarHBondContact O-CB 3.31Å; Y33-Q37 WeakPolarHBondContact O-CG 3.45Å; Y33-Q37 PolarHBondContact O-N 2.88Å; Y33-Q37 PolarHBondContact OH-NE2 2.73Å
34	R	42.4	Very low	45.7	Very low	142 Å²	142	116 Å²	116	54%	0.536	56%	0.561	S	S	.	*	H	α-helix	trans	-67.9	-40.2	176.6	-79	174.8	-156.1	-105.5	2.9	112.1	S30 L31 S32 Q37 L38	S30-R34 WeakPolarHBondContact O-CA 3.39Å; S30-R34 WeakPolarHBondContact O-CB 3.47Å; S30-R34 WeakPolarHBondContact O-CG 3.36Å; S30-R34 PolarHBondContact O-N 3.07Å; S30-R34 PolarHBondContact OG-NE 2.89Å; L31-R34 PolarHBondContact O-N 3.25Å; S32-R34 PolarHBondContact O-N 3.13Å; R34-Q37 CarbonylContact O-C 3.58Å; R34-Q37 PolarHBondContact O-N 3.33Å; R34-L38 VanDerWaalsContact O-CB 3.25Å; R34-L38 WeakPolarHBondContact O-CB 3.36Å; R34-L38 PolarHBondContact O-N 2.96Å
35	L	47.3	Very low	46.9	Very low	107 Å²	107	109.7 Å²	109.7	56%	0.56	54%	0.536	S	S	*	.	H	α-helix	trans	-68.9	-38.3	175.7	-81.5	163	0	0	0	111.5	L31 S32 L38 R39	L31-L35 HydrophobicContact CG-CD1 4.14Å; L31-L35 WeakPolarHBondContact O-CB 3.47Å; L31-L35 WeakPolarHBondContact O-CG 3.46Å; L31-L35 PolarHBondContact O-N 3.18Å; S32-L35 PolarHBondContact O-N 3Å; L35-L38 PolarHBondContact O-N 3.16Å; L35-R39 WeakPolarHBondContact O-CB 3.43Å; L35-R39 PolarHBondContact O-N 3.27Å
36	T	56.2	Low	47.6	Very low	83 Å²	83	105.8 Å²	105.8	51%	0.509	52%	0.52	S	S	.	.	H	α-helix	trans	-69.9	-37.3	174.4	-43.7	0	0	0	0	110.5	S32 Y33 A40	S32-T36 VanDerWaalsContact O-CB 3.31Å; S32-T36 WeakPolarHBondContact O-CB 3.31Å; S32-T36 PolarHBondContact O-N 3.25Å; S32-T36 PolarHBondContact O-OG1 2.9Å; Y33-T36 PolarHBondContact O-N 3.06Å; T36-A40 WeakPolarHBondContact O-CA 3.46Å; T36-A40 WeakPolarHBondContact O-CB 3.38Å; T36-A40 PolarHBondContact O-N 3.17Å
37	Q	58.3	Low	48.4	Very low	100 Å²	100	107.3 Å²	107.3	47%	0.467	52%	0.523	S	S	.	.	H	α-helix	trans	-69.4	-34.6	171	-83	-148.1	-13.7	0	0	112.5	Y33 R34 S41	Y33-Q37 HydrophobicContact CD1-CG 4.07Å; Y33-Q37 VanDerWaalsContact CE1-CD 3.43Å; Y33-Q37 HydrophobicContact CE1-CG 3.72Å; Y33-Q37 HydrophobicContact CE2-CG 4.48Å; Y33-Q37 VanDerWaalsContact CZ-NE2 3.28Å; Y33-Q37 WeakPolarHBondContact O-CB 3.31Å; Y33-Q37 WeakPolarHBondContact O-CG 3.45Å; Y33-Q37 PolarHBondContact O-N 2.88Å; Y33-Q37 PolarHBondContact OH-NE2 2.73Å; R34-Q37 CarbonylContact O-C 3.58Å; R34-Q37 PolarHBondContact O-N 3.33Å; Q37-S41 WeakPolarHBondContact O-CA 3.43Å; Q37-S41 WeakPolarHBondContact O-CB 3.29Å; Q37-S41 PolarHBondContact O-N 2.99Å; Q37-S41 PolarHBondContact O-OG 3.04Å; Q37-S41 VanDerWaalsContact O-OG 3.12Å
38	L	49.2	Very low	49.5	Very low	103 Å²	103	105 Å²	105	54%	0.539	51%	0.511	S	S	.	.	H	α-helix	trans	-73.8	-37.7	177.6	-135.2	118.9	0	0	0	110.3	R34 L35 S41 L42	R34-L38 VanDerWaalsContact O-CB 3.25Å; R34-L38 WeakPolarHBondContact O-CB 3.36Å; R34-L38 PolarHBondContact O-N 2.96Å; L35-L38 PolarHBondContact O-N 3.16Å; L38-S41 WeakPolarHBondContact CA-OG 3.27Å; L38-S41 PolarHBondContact O-OG 2.72Å; L38-S41 VanDerWaalsContact O-OG 3.08Å; L38-L42 HydrophobicContact CD2-CD1 4.03Å; L38-L42 WeakPolarHBondContact O-CB 3.22Å; L38-L42 WeakPolarHBondContact O-CG 3.2Å; L38-L42 PolarHBondContact O-N 3.43Å
39	R	46.7	Very low	50.2	Low	185 Å²	185	100.8 Å²	100.8	70%	0.698	50%	0.498	S	S	*	.	H	α-helix	trans	-71	-42.4	173.8	-166.9	179.5	-174.5	178.5	2.6	110.7	L35 L43	L35-R39 WeakPolarHBondContact O-CB 3.43Å; L35-R39 PolarHBondContact O-N 3.27Å; R39-L43 HydrophobicContact CG-CD1 4.1Å; R39-L43 WeakPolarHBondContact O-CB 3.22Å; R39-L43 VanDerWaalsContact O-CG 3.28Å; R39-L43 WeakPolarHBondContact O-CG 3.5Å; R39-L43 PolarHBondContact O-N 3.11Å
40	A	57.3	Low	50.4	Low	33 Å²	33	99.3 Å²	99.3	27%	0.273	49%	0.489	S	S	.	.	H	α-helix	trans	-71.5	-30.3	174.3	0	0	0	0	0	111.9	T36 R44	T36-A40 WeakPolarHBondContact O-CA 3.46Å; T36-A40 WeakPolarHBondContact O-CB 3.38Å; T36-A40 PolarHBondContact O-N 3.17Å; A40-R44 WeakPolarHBondContact O-CA 3.24Å; A40-R44 WeakPolarHBondContact O-CB 3.06Å; A40-R44 WeakPolarHBondContact O-CG 3.35Å; A40-R44 PolarHBondContact O-N 3.41Å
41	S	59.1	Low	50.8	Low	53 Å²	53	99 Å²	99	37%	0.371	49%	0.486	S	S	.	.	H	α-helix	trans	-76	-42.5	173.4	76.7	0	0	0	0	109.7	Q37 L38 R44 T45	Q37-S41 WeakPolarHBondContact O-CA 3.43Å; Q37-S41 WeakPolarHBondContact O-CB 3.29Å; Q37-S41 PolarHBondContact O-N 2.99Å; Q37-S41 PolarHBondContact O-OG 3.04Å; Q37-S41 VanDerWaalsContact O-OG 3.12Å; L38-S41 WeakPolarHBondContact CA-OG 3.27Å; L38-S41 PolarHBondContact O-OG 2.72Å; L38-S41 VanDerWaalsContact O-OG 3.08Å; S41-R44 CarbonylContact O-C 3.56Å; S41-R44 PolarHBondContact O-N 2.97Å; S41-T45 WeakPolarHBondContact O-CA 3.09Å; S41-T45 WeakPolarHBondContact O-CB 3.14Å; S41-T45 PolarHBondContact O-N 3.13Å; S41-T45 PolarHBondContact O-OG1 2.83Å
42	L	46.6	Very low	51.5	Low	95 Å²	95	98.9 Å²	98.9	50%	0.497	48%	0.484	S	S	.	.	H	α-helix	trans	-63	-43.9	172.8	-85.4	162.2	0	0	0	111.2	L38 T45 L46	L38-L42 HydrophobicContact CD2-CD1 4.03Å; L38-L42 WeakPolarHBondContact O-CB 3.22Å; L38-L42 WeakPolarHBondContact O-CG 3.2Å; L38-L42 PolarHBondContact O-N 3.43Å; L42-T45 CarbonylContact O-C 3.46Å; L42-T45 PolarHBondContact O-N 2.75Å; L42-L46 WeakPolarHBondContact O-CB 3.18Å; L42-L46 WeakPolarHBondContact O-CG 3.36Å; L42-L46 PolarHBondContact O-N 3.35Å
43	L	52.5	Low	51.1	Low	103 Å²	103	102.7 Å²	102.7	54%	0.539	49%	0.487	S	S	.	.	H	α-helix	trans	-69.2	-38.7	174.6	-78	166	0	0	0	111.7	R39 T45 Y47	R39-L43 HydrophobicContact CG-CD1 4.1Å; R39-L43 WeakPolarHBondContact O-CB 3.22Å; R39-L43 VanDerWaalsContact O-CG 3.28Å; R39-L43 WeakPolarHBondContact O-CG 3.5Å; R39-L43 PolarHBondContact O-N 3.11Å; L43-T45 VanDerWaalsContact C-N 3.28Å; L43-T45 PolarHBondContact O-N 2.75Å; L43-Y47 WeakPolarHBondContact O-CA 3.31Å; L43-Y47 WeakPolarHBondContact O-CB 3.47Å; L43-Y47 PolarHBondContact O-N 2.85Å
44	R	55.7	Low	50.8	Low	188 Å²	188	98.1 Å²	98.1	71%	0.709	48%	0.476	S	S	*	.	H	α-helix	trans	-68.5	-28.4	170.4	-81.3	179.3	-162.8	154.6	5.2	111.8	A40 S41 S48	A40-R44 WeakPolarHBondContact O-CA 3.24Å; A40-R44 WeakPolarHBondContact O-CB 3.06Å; A40-R44 WeakPolarHBondContact O-CG 3.35Å; A40-R44 PolarHBondContact O-N 3.41Å; S41-R44 CarbonylContact O-C 3.56Å; S41-R44 PolarHBondContact O-N 2.97Å; R44-S48 WeakPolarHBondContact O-CA 3.39Å; R44-S48 WeakPolarHBondContact O-CB 3.14Å; R44-S48 PolarHBondContact O-N 2.94Å; R44-S48 PolarHBondContact O-OG 3.04Å
45	T	56.1	Low	50.8	Low	64 Å²	64	99.3 Å²	99.3	39%	0.393	48%	0.481	S	S	.	.	H	α-helix	trans	-82.3	-33.6	178.7	-52.3	0	0	0	0	110	S41 L42 L43 S48 K49	S41-T45 WeakPolarHBondContact O-CA 3.09Å; S41-T45 WeakPolarHBondContact O-CB 3.14Å; S41-T45 PolarHBondContact O-N 3.13Å; S41-T45 PolarHBondContact O-OG1 2.83Å; L42-T45 CarbonylContact O-C 3.46Å; L42-T45 PolarHBondContact O-N 2.75Å; L43-T45 VanDerWaalsContact C-N 3.28Å; L43-T45 PolarHBondContact O-N 2.75Å; T45-S48 WeakPolarHBondContact CA-OG 3.47Å; T45-S48 PolarHBondContact O-OG 2.85Å; T45-K49 HydrophobicContact CG2-CD 4.42Å; T45-K49 WeakPolarHBondContact O-CA 3.29Å; T45-K49 WeakPolarHBondContact O-CB 3.44Å; T45-K49 WeakPolarHBondContact O-CG 3.31Å; T45-K49 PolarHBondContact O-N 3.38Å
46	L	44.9	Very low	50.6	Low	103 Å²	103	100.2 Å²	100.2	54%	0.539	48%	0.477	S	S	.	.	H	α-helix	trans	-74.9	-43.1	172.2	-86.5	157.8	0	0	0	110.3	L42 K49 T50	L42-L46 WeakPolarHBondContact O-CB 3.18Å; L42-L46 WeakPolarHBondContact O-CG 3.36Å; L42-L46 PolarHBondContact O-N 3.35Å; L46-K49 CarbonylContact O-C 3.24Å; L46-K49 PolarHBondContact O-N 3.42Å; L46-T50 VanDerWaalsContact O-CB 3.29Å; L46-T50 WeakPolarHBondContact O-CB 3.48Å; L46-T50 WeakPolarHBondContact O-CG2 3.28Å; L46-T50 PolarHBondContact O-N 3.39Å; L46-T50 PolarHBondContact O-OG1 2.76Å
47	Y	50.6	Low	50.1	Low	158 Å²	158	105.1 Å²	105.1	62%	0.62	49%	0.486	S	S	*	.	H	α-helix	trans	-71.2	-39.4	173.8	-174.4	-98.2	0	0	0	111.2	L43 T50 T51	L43-Y47 WeakPolarHBondContact O-CA 3.31Å; L43-Y47 WeakPolarHBondContact O-CB 3.47Å; L43-Y47 PolarHBondContact O-N 2.85Å; Y47-T50 VanDerWaalsContact CA-OG1 3.28Å; Y47-T50 WeakPolarHBondContact CA-OG1 3.28Å; Y47-T50 PolarHBondContact O-OG1 2.91Å; Y47-T51 HydrophobicContact CD1-CG2 3.94Å; Y47-T51 HydrophobicContact CD2-CG2 4.19Å; Y47-T51 HydrophobicContact CE1-CG2 3.55Å; Y47-T51 HydrophobicContact CE2-CG2 3.81Å; Y47-T51 HydrophobicContact CG-CG2 4.25Å; Y47-T51 VanDerWaalsContact CZ-CG2 3.48Å; Y47-T51 WeakPolarHBondContact O-CA 3.28Å; Y47-T51 WeakPolarHBondContact O-CB 3.38Å; Y47-T51 VanDerWaalsContact O-CG2 3.26Å; Y47-T51 WeakPolarHBondContact O-CG2 3.49Å; Y47-T51 PolarHBondContact O-N 3.28Å; Y47-T51 PolarHBondContact O-OG1 2.82Å
48	S	57.5	Low	49.4	Very low	49 Å²	49	106.8 Å²	106.8	34%	0.343	50%	0.498	S	S	.	.	H	α-helix	trans	-68.3	-42.4	171.3	78.4	0	0	0	0	109.1	R44 T45 T51 E52	R44-S48 WeakPolarHBondContact O-CA 3.39Å; R44-S48 WeakPolarHBondContact O-CB 3.14Å; R44-S48 PolarHBondContact O-N 2.94Å; R44-S48 PolarHBondContact O-OG 3.04Å; T45-S48 WeakPolarHBondContact CA-OG 3.47Å; T45-S48 PolarHBondContact O-OG 2.85Å; S48-T51 WeakPolarHBondContact CA-OG1 3.32Å; S48-T51 CarbonylContact O-C 3.5Å; S48-T51 PolarHBondContact O-N 2.83Å; S48-T51 PolarHBondContact O-OG1 2.65Å; S48-E52 VanDerWaalsContact O-CA 3.25Å; S48-E52 WeakPolarHBondContact O-CA 3.34Å; S48-E52 WeakPolarHBondContact O-CB 3.5Å; S48-E52 PolarHBondContact O-N 3.29Å
49	K	50.3	Low	49.2	Very low	115 Å²	115	105.9 Å²	105.9	50%	0.5	51%	0.505	S	S	.	.	H	α-helix	trans	-64.2	-43	174.3	-83.3	179.5	175.8	-176.2	0	110.8	T45 L46 E52 Y53	T45-K49 HydrophobicContact CG2-CD 4.42Å; T45-K49 WeakPolarHBondContact O-CA 3.29Å; T45-K49 WeakPolarHBondContact O-CB 3.44Å; T45-K49 WeakPolarHBondContact O-CG 3.31Å; T45-K49 PolarHBondContact O-N 3.38Å; L46-K49 CarbonylContact O-C 3.24Å; L46-K49 PolarHBondContact O-N 3.42Å; K49-E52 PolarHBondContact O-N 2.84Å; K49-Y53 HydrophobicContact CB-CD2 4.3Å; K49-Y53 WeakPolarHBondContact O-CA 3.45Å; K49-Y53 WeakPolarHBondContact O-CB 3.17Å; K49-Y53 WeakPolarHBondContact O-CD2 3.13Å; K49-Y53 PolarHBondContact O-N 3.48Å
50	T	47.3	Very low	48.8	Very low	81 Å²	81	99.9 Å²	99.9	50%	0.497	49%	0.492	S	S	.	.	H	α-helix	trans	-72	-32.8	178.5	56.2	0	0	0	0	111.6	L46 Y47 S54	L46-T50 VanDerWaalsContact O-CB 3.29Å; L46-T50 WeakPolarHBondContact O-CB 3.48Å; L46-T50 WeakPolarHBondContact O-CG2 3.28Å; L46-T50 PolarHBondContact O-N 3.39Å; L46-T50 PolarHBondContact O-OG1 2.76Å; Y47-T50 VanDerWaalsContact CA-OG1 3.28Å; Y47-T50 WeakPolarHBondContact CA-OG1 3.28Å; Y47-T50 PolarHBondContact O-OG1 2.91Å; T50-S54 WeakPolarHBondContact O-CB 3.34Å; T50-S54 PolarHBondContact O-N 2.99Å; T50-S54 PolarHBondContact O-OG 3.39Å
51	T	49.4	Very low	48.4	Very low	19 Å²	19	104.7 Å²	104.7	12%	0.117	52%	0.52	C	S	.	.	H	α-helix	trans	-81.9	-22	173.2	59.1	0	0	0	0	114.1	Y47 S48 S54 R55	Y47-T51 HydrophobicContact CD1-CG2 3.94Å; Y47-T51 HydrophobicContact CD2-CG2 4.19Å; Y47-T51 HydrophobicContact CE1-CG2 3.55Å; Y47-T51 HydrophobicContact CE2-CG2 3.81Å; Y47-T51 HydrophobicContact CG-CG2 4.25Å; Y47-T51 VanDerWaalsContact CZ-CG2 3.48Å; Y47-T51 WeakPolarHBondContact O-CA 3.28Å; Y47-T51 WeakPolarHBondContact O-CB 3.38Å; Y47-T51 VanDerWaalsContact O-CG2 3.26Å; Y47-T51 WeakPolarHBondContact O-CG2 3.49Å; Y47-T51 PolarHBondContact O-N 3.28Å; Y47-T51 PolarHBondContact O-OG1 2.82Å; S48-T51 WeakPolarHBondContact CA-OG1 3.32Å; S48-T51 CarbonylContact O-C 3.5Å; S48-T51 PolarHBondContact O-N 2.83Å; S48-T51 PolarHBondContact O-OG1 2.65Å; T51-S54 VanDerWaalsContact CA-OG 3.27Å; T51-S54 WeakPolarHBondContact CA-OG 3.49Å; T51-S54 PolarHBondContact O-OG 3.35Å; T51-R55 WeakPolarHBondContact O-CA 3.23Å; T51-R55 WeakPolarHBondContact O-CB 3.34Å; T51-R55 WeakPolarHBondContact O-CG 3.43Å; T51-R55 PolarHBondContact O-N 3.23Å; T51-R55 PolarHBondContact O-NE 2.92Å
52	E	50.7	Low	47.7	Very low	71 Å²	71	113.2 Å²	113.2	33%	0.332	54%	0.544	S	S	.	.	H	α-helix	trans	-83.1	-37	171.4	-179.9	-177.2	-175.8	0	0	108.4	S48 K49 R56	S48-E52 VanDerWaalsContact O-CA 3.25Å; S48-E52 WeakPolarHBondContact O-CA 3.34Å; S48-E52 WeakPolarHBondContact O-CB 3.5Å; S48-E52 PolarHBondContact O-N 3.29Å; K49-E52 PolarHBondContact O-N 2.84Å; E52-R56 HydrophobicContact CG-CG 4.24Å; E52-R56 WeakPolarHBondContact O-CA 3.24Å; E52-R56 WeakPolarHBondContact O-CB 3.27Å; E52-R56 WeakPolarHBondContact O-CG 3.34Å; E52-R56 PolarHBondContact O-N 3.3Å; E52-R56 IonicContact OE1-CZ 2.87Å; E52-R56 IonicContact OE1-NE 3.52Å; E52-R56 IonicContact OE1-NH1 2.76Å; E52-R56 PolarHBondContact OE1-NH1 3.5Å; E52-R56 VanDerWaalsContact OE1-NH1 3.15Å; E52-R56 IonicContact OE1-NH2 2.66Å; E52-R56 PolarHBondContact OE1-NH2 2.73Å
53	Y	42.5	Very low	47.7	Very low	159 Å²	159	112.3 Å²	112.3	62%	0.624	54%	0.542	S	S	*	.	H	α-helix	trans	-63.8	-46.5	165.7	-90.7	-73.5	0	0	0	108.9	K49 W57	K49-Y53 HydrophobicContact CB-CD2 4.3Å; K49-Y53 WeakPolarHBondContact O-CA 3.45Å; K49-Y53 WeakPolarHBondContact O-CB 3.17Å; K49-Y53 WeakPolarHBondContact O-CD2 3.13Å; K49-Y53 PolarHBondContact O-N 3.48Å; Y53-W57 WeakPolarHBondContact O-CA 3.37Å; Y53-W57 WeakPolarHBondContact O-CB 3.42Å; Y53-W57 PolarHBondContact O-N 2.99Å
54	S	46.1	Very low	47.5	Very low	49 Å²	49	110.8 Å²	110.8	34%	0.343	54%	0.544	S	S	.	.	H	α-helix	trans	-71.8	-35.1	178.3	79.2	0	0	0	0	113.1	T50 T51 W57 L58	T50-S54 WeakPolarHBondContact O-CB 3.34Å; T50-S54 PolarHBondContact O-N 2.99Å; T50-S54 PolarHBondContact O-OG 3.39Å; T51-S54 VanDerWaalsContact CA-OG 3.27Å; T51-S54 WeakPolarHBondContact CA-OG 3.49Å; T51-S54 PolarHBondContact O-OG 3.35Å; S54-W57 WeakPolarHBondContact O-CB 3.34Å; S54-L58 WeakPolarHBondContact O-CG 3.22Å; S54-L58 PolarHBondContact O-N 2.91Å
55	R	43.4	Very low	47.5	Very low	167 Å²	167	105 Å²	105	63%	0.63	53%	0.528	S	S	*	.	H	α-helix	trans	-74.4	-39.5	173.3	-79.2	-174.5	-105.6	-169.1	-6.2	112.5	T51 W57 L58 A59	T51-R55 WeakPolarHBondContact O-CA 3.23Å; T51-R55 WeakPolarHBondContact O-CB 3.34Å; T51-R55 WeakPolarHBondContact O-CG 3.43Å; T51-R55 PolarHBondContact O-N 3.23Å; T51-R55 PolarHBondContact O-NE 2.92Å; R55-W57 VanDerWaalsContact C-N 3.31Å; R55-L58 PolarHBondContact O-N 2.8Å; R55-A59 WeakPolarHBondContact O-CB 3.26Å; R55-A59 PolarHBondContact O-N 3.07Å
56	R	42.8	Very low	46.9	Very low	127 Å²	127	105.9 Å²	105.9	48%	0.479	53%	0.534	S	S	.	.	H	α-helix	trans	-66.5	-35.7	171.8	-75.2	178.1	170.7	161.6	6.1	110.8	E52 L58 A59 S60	E52-R56 HydrophobicContact CG-CG 4.24Å; E52-R56 WeakPolarHBondContact O-CA 3.24Å; E52-R56 WeakPolarHBondContact O-CB 3.27Å; E52-R56 WeakPolarHBondContact O-CG 3.34Å; E52-R56 PolarHBondContact O-N 3.3Å; E52-R56 IonicContact OE1-CZ 2.87Å; E52-R56 IonicContact OE1-NE 3.52Å; E52-R56 IonicContact OE1-NH1 2.76Å; E52-R56 PolarHBondContact OE1-NH1 3.5Å; E52-R56 VanDerWaalsContact OE1-NH1 3.15Å; E52-R56 IonicContact OE1-NH2 2.66Å; E52-R56 PolarHBondContact OE1-NH2 2.73Å; R56-L58 VanDerWaalsContact C-N 3.34Å; R56-A59 PolarHBondContact O-N 2.95Å; R56-S60 PolarHBondContact O-N 3.24Å
57	W	45.6	Very low	47.1	Very low	186 Å²	186	105.6 Å²	105.6	71%	0.705	53%	0.532	S	S	*	.	H	α-helix	trans	-62.3	-38.4	171.7	179.4	82.4	0	0	0	112.1	Y53 S54 R55	Y53-W57 WeakPolarHBondContact O-CA 3.37Å; Y53-W57 WeakPolarHBondContact O-CB 3.42Å; Y53-W57 PolarHBondContact O-N 2.99Å; S54-W57 WeakPolarHBondContact O-CB 3.34Å; R55-W57 VanDerWaalsContact C-N 3.31Å
58	L	44	Very low	47.4	Very low	135 Å²	135	102.3 Å²	102.3	71%	0.707	53%	0.525	S	S	*	.	H	α-helix	trans	-79.2	-27.5	173.5	-76.8	164.5	0	0	0	114.1	S54 R55 R56	S54-L58 WeakPolarHBondContact O-CG 3.22Å; S54-L58 PolarHBondContact O-N 2.91Å; R55-L58 PolarHBondContact O-N 2.8Å; R56-L58 VanDerWaalsContact C-N 3.34Å
59	A	44.6	Very low	47.7	Very low	84 Å²	84	103.9 Å²	103.9	69%	0.694	53%	0.527	S	S	*	.	H	α-helix	trans	-114.6	-5.1	-164.9	0	0	0	0	0	116.3	R55 R56	R55-A59 WeakPolarHBondContact O-CB 3.26Å; R55-A59 PolarHBondContact O-N 3.07Å; R56-A59 PolarHBondContact O-N 2.95Å
60	S	38.6	Very low	47.9	Very low	59 Å²	59	103.1 Å²	103.1	41%	0.413	53%	0.528	S	S	.	.			trans	-158.2	120.7	176.9	-166.3	0	0	0	0	114.4	R56 R62	R56-S60 PolarHBondContact O-N 3.24Å; S60-R62 PolarHBondContact O-N 3.24Å
61	P	49	Very low	48.4	Very low	133 Å²	133	101.2 Å²	101.2	86%	0.864	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	23.8	-176.2	32.6	-34.2	0	0	0	114.6
62	R	42.9	Very low	49.3	Very low	232 Å²	232	107.2 Å²	107.2	88%	0.875	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.8	10.8	-175.4	-67.5	-168	-173	-173.4	3	116.4	S60	S60-R62 PolarHBondContact O-N 3.24Å
63	V	46.6	Very low	50.1	Low	77 Å²	77	108.9 Å²	108.9	47%	0.467	55%	0.545	S	S	.	.	S	Bend	trans	-101.4	129.4	170.9	-178.5	0	0	0	0	108.6	N65	V63-N65 PolarHBondContact O-N 3.46Å
64	A	49.8	Very low	51.1	Low	70 Å²	70	103.9 Å²	103.9	58%	0.579	53%	0.529	S	S	*	.			trans	-24.5	115.7	-172.2	0	0	0	0	0	113
65	N	54	Low	52.2	Low	68 Å²	68	106.3 Å²	106.3	36%	0.364	53%	0.534	S	S	.	.			trans	-55.6	128.8	-178	-169.8	-12.6	0	0	0	107.5	V63 I67 D68 E69	V63-N65 PolarHBondContact O-N 3.46Å; N65-I67 HydrophobicContact CB-CB 4.49Å; N65-I67 PolarHBondContact O-N 3.11Å; N65-I67 WeakPolarHBondContact OD1-CB 3.34Å; N65-I67 VanDerWaalsContact OD1-CG1 3.27Å; N65-I67 WeakPolarHBondContact OD1-CG1 3.34Å; N65-I67 PolarHBondContact OD1-N 3.46Å; N65-I67 VanDerWaalsContact OD1-N 3.12Å; N65-D68 HydrophobicContact CB-CB 4.17Å; N65-D68 WeakPolarHBondContact CB-OD2 3.04Å; N65-D68 WeakPolarHBondContact O-CA 3.16Å; N65-D68 WeakPolarHBondContact O-CB 3.1Å; N65-D68 PolarHBondContact O-N 2.9Å; N65-E69 PolarHBondContact O-N 3.32Å; N65-E69 VanDerWaalsContact O-N 3.16Å
66	P	44	Very low	53.6	Low	82 Å²	82	102.4 Å²	102.4	53%	0.532	53%	0.525	S	S	.	.	H	α-helix	trans	-54.3	-25.2	171.9	19.7	-31.5	0	0	0	111.6	L70	P66-L70 WeakPolarHBondContact O-CB 3.41Å; P66-L70 PolarHBondContact O-N 3.38Å
67	I	50.5	Low	54.9	Low	97 Å²	97	100.7 Å²	100.7	50%	0.497	53%	0.525	S	S	.	.	H	α-helix	trans	-65.3	-40.6	170.1	-56.3	172.8	0	0	0	111.4	N65 L70 I71	N65-I67 HydrophobicContact CB-CB 4.49Å; N65-I67 PolarHBondContact O-N 3.11Å; N65-I67 WeakPolarHBondContact OD1-CB 3.34Å; N65-I67 VanDerWaalsContact OD1-CG1 3.27Å; N65-I67 WeakPolarHBondContact OD1-CG1 3.34Å; N65-I67 PolarHBondContact OD1-N 3.46Å; N65-I67 VanDerWaalsContact OD1-N 3.12Å; I67-L70 PolarHBondContact O-N 3.01Å; I67-I71 HydrophobicContact CG2-CD1 3.79Å; I67-I71 HydrophobicContact CG2-CG1 4.29Å; I67-I71 WeakPolarHBondContact O-CB 3.32Å; I67-I71 WeakPolarHBondContact O-CD1 3.35Å; I67-I71 WeakPolarHBondContact O-CG1 3.41Å; I67-I71 PolarHBondContact O-N 3.22Å
68	D	56.9	Low	56.1	Low	89 Å²	89	92.3 Å²	92.3	48%	0.476	49%	0.494	S	S	.	.	H	α-helix	trans	-65.5	-41.7	177	-67.4	-26.9	0	0	0	111.4	N65 I71 R72	N65-D68 HydrophobicContact CB-CB 4.17Å; N65-D68 WeakPolarHBondContact CB-OD2 3.04Å; N65-D68 WeakPolarHBondContact O-CA 3.16Å; N65-D68 WeakPolarHBondContact O-CB 3.1Å; N65-D68 PolarHBondContact O-N 2.9Å; D68-I71 PolarHBondContact O-N 3.23Å; D68-R72 WeakPolarHBondContact O-CB 3.38Å; D68-R72 PolarHBondContact O-N 3.19Å
69	E	62.8	Low	57.7	Low	81 Å²	81	91.8 Å²	91.8	38%	0.379	49%	0.488	S	S	.	.	H	α-helix	trans	-71	-34.9	177.9	-158.6	61.6	-168.1	0	0	111.5	N65 R72 L73	N65-E69 PolarHBondContact O-N 3.32Å; N65-E69 VanDerWaalsContact O-N 3.16Å; E69-R72 WeakPolarHBondContact O-CB 3.42Å; E69-R72 PolarHBondContact O-N 3.48Å; E69-R72 IonicContact OE1-CZ 3.26Å; E69-R72 IonicContact OE1-NH1 3.82Å; E69-R72 PolarHBondContact OE1-NH1 3.37Å; E69-R72 IonicContact OE2-NH1 2.62Å; E69-L73 WeakPolarHBondContact O-CG 3.14Å; E69-L73 PolarHBondContact O-N 3.37Å
70	L	53.9	Low	59.1	Low	99 Å²	99	95.5 Å²	95.5	52%	0.518	49%	0.488	S	S	.	.	H	α-helix	trans	-62.7	-46.9	169.5	-175.3	69.7	0	0	0	111	P66 I67 R72 L73 I74	P66-L70 WeakPolarHBondContact O-CB 3.41Å; P66-L70 PolarHBondContact O-N 3.38Å; I67-L70 PolarHBondContact O-N 3.01Å; L70-R72 VanDerWaalsContact C-N 3.27Å; L70-R72 PolarHBondContact O-N 3.16Å; L70-L73 PolarHBondContact O-N 2.74Å; L70-I74 HydrophobicContact CD1-CD1 4.4Å; L70-I74 HydrophobicContact CD2-CD1 4.49Å; L70-I74 HydrophobicContact CG-CD1 3.91Å; L70-I74 HydrophobicContact CG-CG1 4.49Å; L70-I74 WeakPolarHBondContact O-CG1 3.08Å; L70-I74 PolarHBondContact O-N 3.32Å
71	I	59.4	Low	60.5	Low	41 Å²	41	94.5 Å²	94.5	21%	0.21	48%	0.478	C	S	.	.	H	α-helix	trans	-58.4	-41.6	175.2	-72.5	165	0	0	0	110.2	I67 D68 I74 K75	I67-I71 HydrophobicContact CG2-CD1 3.79Å; I67-I71 HydrophobicContact CG2-CG1 4.29Å; I67-I71 WeakPolarHBondContact O-CB 3.32Å; I67-I71 WeakPolarHBondContact O-CD1 3.35Å; I67-I71 WeakPolarHBondContact O-CG1 3.41Å; I67-I71 PolarHBondContact O-N 3.22Å; D68-I71 PolarHBondContact O-N 3.23Å; I71-I74 PolarHBondContact O-N 3.42Å; I71-K75 HydrophobicContact CG2-CD 4.27Å; I71-K75 WeakPolarHBondContact O-CB 3.49Å; I71-K75 WeakPolarHBondContact O-CG 3.39Å; I71-K75 PolarHBondContact O-N 3.49Å
72	R	67.6	Low	61.7	Low	146 Å²	146	90.5 Å²	90.5	55%	0.551	45%	0.449	S	S	*	.	H	α-helix	trans	-62.8	-46.5	176.7	-174.3	-173.2	178.8	-163.7	3.6	111.9	D68 E69 L70 K75 L76	D68-R72 WeakPolarHBondContact O-CB 3.38Å; D68-R72 PolarHBondContact O-N 3.19Å; E69-R72 WeakPolarHBondContact O-CB 3.42Å; E69-R72 PolarHBondContact O-N 3.48Å; E69-R72 IonicContact OE1-CZ 3.26Å; E69-R72 IonicContact OE1-NH1 3.82Å; E69-R72 PolarHBondContact OE1-NH1 3.37Å; E69-R72 IonicContact OE2-NH1 2.62Å; L70-R72 VanDerWaalsContact C-N 3.27Å; L70-R72 PolarHBondContact O-N 3.16Å; R72-K75 PolarHBondContact O-N 2.78Å; R72-L76 WeakPolarHBondContact O-CG 3.2Å; R72-L76 PolarHBondContact O-N 2.91Å
73	L	66.3	Low	63.4	Low	105 Å²	105	83.6 Å²	83.6	55%	0.55	43%	0.433	S	S	.	.	H	α-helix	trans	-63.5	-41.1	176.6	-73.8	169.8	0	0	0	111.8	E69 L70 L76 L77	E69-L73 WeakPolarHBondContact O-CG 3.14Å; E69-L73 PolarHBondContact O-N 3.37Å; L70-L73 PolarHBondContact O-N 2.74Å; L73-L76 PolarHBondContact O-N 2.8Å; L73-L77 WeakPolarHBondContact O-CB 3.2Å; L73-L77 PolarHBondContact O-N 3.03Å
74	I	63.7	Low	64.6	Low	54 Å²	54	81.8 Å²	81.8	28%	0.277	43%	0.426	S	S	.	.	H	α-helix	trans	-65.3	-41.3	175.9	-61.8	165.4	0	0	0	110.4	L70 I71 L77 V78 V119	L70-I74 HydrophobicContact CD1-CD1 4.4Å; L70-I74 HydrophobicContact CD2-CD1 4.49Å; L70-I74 HydrophobicContact CG-CD1 3.91Å; L70-I74 HydrophobicContact CG-CG1 4.49Å; L70-I74 WeakPolarHBondContact O-CG1 3.08Å; L70-I74 PolarHBondContact O-N 3.32Å; I71-I74 PolarHBondContact O-N 3.42Å; I74-L77 WeakPolarHBondContact O-CB 3.45Å; I74-L77 PolarHBondContact O-N 2.9Å; I74-V78 HydrophobicContact CG2-CG2 4.32Å; I74-V78 VanDerWaalsContact O-CG2 3.27Å; I74-V78 WeakPolarHBondContact O-CG2 3.38Å; I74-V78 PolarHBondContact O-N 3.15Å; I74-V119 HydrophobicContact CB-CG2 4.25Å; I74-V119 HydrophobicContact CG2-CG2 3.26Å
75	K	70.1	Confident	65.8	Low	101 Å²	101	78.8 Å²	78.8	44%	0.439	40%	0.401	S	S	.	.	H	α-helix	trans	-59.4	-46.8	174.6	-78.6	178.2	179.8	179.7	0	112.1	I71 R72 L77 V78 E79 V119	I71-K75 HydrophobicContact CG2-CD 4.27Å; I71-K75 WeakPolarHBondContact O-CB 3.49Å; I71-K75 WeakPolarHBondContact O-CG 3.39Å; I71-K75 PolarHBondContact O-N 3.49Å; R72-K75 PolarHBondContact O-N 2.78Å; K75-L77 VanDerWaalsContact C-N 3.29Å; K75-L77 PolarHBondContact O-N 3.17Å; K75-V78 PolarHBondContact O-N 3.09Å; K75-E79 WeakPolarHBondContact O-CB 3.41Å; K75-E79 PolarHBondContact O-N 3.13Å; K75-V119 HydrophobicContact CG-CG1 4.16Å
76	L	73.3	Confident	66.9	Low	84 Å²	84	80.4 Å²	80.4	44%	0.44	41%	0.406	S	S	.	.	H	α-helix	trans	-61.1	-38.6	176.3	-73.8	169.9	0	0	0	112	R72 L73 K80	R72-L76 WeakPolarHBondContact O-CG 3.2Å; R72-L76 PolarHBondContact O-N 2.91Å; L73-L76 PolarHBondContact O-N 2.8Å; L76-K80 WeakPolarHBondContact O-CG 3.19Å; L76-K80 PolarHBondContact O-N 3.2Å
77	L	70	Confident	68.6	Low	92 Å²	92	81 Å²	81	48%	0.482	40%	0.404	S	S	.	.	H	α-helix	trans	-65.6	-46.1	175.7	-175.2	70	0	0	0	111.6	L73 I74 K75 E79 K80 L81 L115	L73-L77 WeakPolarHBondContact O-CB 3.2Å; L73-L77 PolarHBondContact O-N 3.03Å; I74-L77 WeakPolarHBondContact O-CB 3.45Å; I74-L77 PolarHBondContact O-N 2.9Å; K75-L77 VanDerWaalsContact C-N 3.29Å; K75-L77 PolarHBondContact O-N 3.17Å; L77-E79 VanDerWaalsContact C-N 3.33Å; L77-E79 PolarHBondContact O-N 3.41Å; L77-K80 PolarHBondContact O-N 3.03Å; L77-L81 HydrophobicContact CG-CD1 4.07Å; L77-L81 WeakPolarHBondContact O-CB 3.42Å; L77-L81 WeakPolarHBondContact O-CG 3.22Å; L77-L81 PolarHBondContact O-N 3.49Å; L77-L115 HydrophobicContact CD2-CD1 3.94Å; L77-L115 HydrophobicContact CG-CD1 4.35Å
78	V	69.7	Low	69.7	Low	9 Å²	9	77.4 Å²	77.4	6%	0.055	39%	0.386	C	S	.	.	H	α-helix	trans	-58.4	-44.9	175.8	170.5	0	0	0	0	111	I74 K75 L81 N82 L115 N116 V119	I74-V78 HydrophobicContact CG2-CG2 4.32Å; I74-V78 VanDerWaalsContact O-CG2 3.27Å; I74-V78 WeakPolarHBondContact O-CG2 3.38Å; I74-V78 PolarHBondContact O-N 3.15Å; K75-V78 PolarHBondContact O-N 3.09Å; V78-L81 PolarHBondContact O-N 3.34Å; V78-N82 WeakPolarHBondContact O-CB 3.28Å; V78-N82 PolarHBondContact O-N 2.92Å; V78-N82 PolarHBondContact O-ND2 3.38Å; V78-L115 HydrophobicContact CG2-CB 3.41Å; V78-L115 VanDerWaalsContact CG2-CB 3.41Å; V78-N116 HydrophobicContact CG1-CB 3.8Å; V78-V119 HydrophobicContact CG2-CG2 4.29Å
79	E	77.2	Confident	70.5	Confident	125 Å²	125	78.3 Å²	78.3	58%	0.584	39%	0.386	S	S	*	.	H	α-helix	trans	-64.2	-43	179.8	-170.7	176.4	-172.2	0	0	112.1	K75 L77 N82 T83	K75-E79 WeakPolarHBondContact O-CB 3.41Å; K75-E79 PolarHBondContact O-N 3.13Å; L77-E79 VanDerWaalsContact C-N 3.33Å; L77-E79 PolarHBondContact O-N 3.41Å; E79-N82 PolarHBondContact O-N 3.31Å; E79-T83 WeakPolarHBondContact O-CB 3.47Å; E79-T83 PolarHBondContact O-N 3.19Å; E79-T83 PolarHBondContact O-OG1 2.96Å
80	K	74.7	Confident	71.1	Confident	161 Å²	161	81.6 Å²	81.6	70%	0.7	40%	0.401	S	S	*	.	H	α-helix	trans	-64	-42.2	174.2	-77.9	-168.7	174.2	-169.4	0	112.4	L76 L77 T83 A84	L76-K80 WeakPolarHBondContact O-CG 3.19Å; L76-K80 PolarHBondContact O-N 3.2Å; L77-K80 PolarHBondContact O-N 3.03Å; K80-T83 PolarHBondContact O-N 3.27Å; K80-A84 WeakPolarHBondContact O-CB 3.26Å; K80-A84 PolarHBondContact O-N 3.39Å
81	L	69.3	Low	72.1	Confident	38 Å²	38	78.1 Å²	78.1	20%	0.199	38%	0.383	C	S	.	.	H	α-helix	trans	-65.6	-40.9	177.8	-76.9	167	0	0	0	112.4	L77 V78 A84 C85 V108 V111 L115	L77-L81 HydrophobicContact CG-CD1 4.07Å; L77-L81 WeakPolarHBondContact O-CB 3.42Å; L77-L81 WeakPolarHBondContact O-CG 3.22Å; L77-L81 PolarHBondContact O-N 3.49Å; V78-L81 PolarHBondContact O-N 3.34Å; L81-A84 PolarHBondContact O-N 3.4Å; L81-C85 VanDerWaalsContact O-CB 3.28Å; L81-C85 WeakPolarHBondContact O-CB 3.24Å; L81-C85 PolarHBondContact O-N 3.38Å; L81-V108 HydrophobicContact CD2-CG1 4.37Å; L81-V111 HydrophobicContact CD1-CG1 4.02Å; L81-L115 HydrophobicContact CD1-CD1 3.4Å; L81-L115 VanDerWaalsContact CD1-CD1 3.4Å
82	N	74	Confident	72.6	Confident	49 Å²	49	87.1 Å²	87.1	26%	0.262	41%	0.414	S	S	.	.	H	α-helix	trans	-65.6	-41.5	175.7	-75.2	-21.8	0	0	0	111.4	V78 E79 C85 Q86	V78-N82 WeakPolarHBondContact O-CB 3.28Å; V78-N82 PolarHBondContact O-N 2.92Å; V78-N82 PolarHBondContact O-ND2 3.38Å; E79-N82 PolarHBondContact O-N 3.31Å; N82-C85 WeakPolarHBondContact O-CB 3.47Å; N82-C85 PolarHBondContact O-N 2.05Å; N82-Q86 WeakPolarHBondContact O-CG 3.05Å; N82-Q86 PolarHBondContact O-N 2.92Å
83	T	77.2	Confident	72.8	Confident	88 Å²	88	82.5 Å²	82.5	54%	0.54	40%	0.4	S	S	.	.	H	α-helix	trans	-60.9	-46.5	174.5	-53.7	0	0	0	0	111.2	E79 K80 C85 Q86 L87	E79-T83 WeakPolarHBondContact O-CB 3.47Å; E79-T83 PolarHBondContact O-N 3.19Å; E79-T83 PolarHBondContact O-OG1 2.96Å; K80-T83 PolarHBondContact O-N 3.27Å; T83-C85 PolarHBondContact O-N 3.01Å; T83-Q86 PolarHBondContact O-N 3.47Å; T83-L87 WeakPolarHBondContact O-CB 3.46Å; T83-L87 PolarHBondContact O-N 3.25Å
84	A	72.7	Confident	73.1	Confident	38 Å²	38	85 Å²	85	31%	0.314	41%	0.414	S	S	.	.	H	α-helix	trans	-62.8	-42.1	176.6	0	0	0	0	0	112.4	K80 L81 Q86 L87 L88 V108	K80-A84 WeakPolarHBondContact O-CB 3.26Å; K80-A84 PolarHBondContact O-N 3.39Å; L81-A84 PolarHBondContact O-N 3.4Å; A84-Q86 PolarHBondContact O-N 2.84Å; A84-L87 PolarHBondContact O-N 3.49Å; A84-L88 WeakPolarHBondContact O-CB 3.46Å; A84-L88 WeakPolarHBondContact O-CD1 3.18Å; A84-L88 VanDerWaalsContact O-CG 3.28Å; A84-L88 WeakPolarHBondContact O-CG 3.4Å; A84-L88 PolarHBondContact O-N 2.86Å; A84-V108 HydrophobicContact CB-CG1 4.21Å
85	C	73.8	Confident	73.7	Confident	7 Å²	7	89.4 Å²	89.4	5%	0.047	43%	0.431	C	S	.	.	H	α-helix	trans	-57.4	-45.8	174.3	158.2	0	0	0	0	112.3	L81 N82 T83 K89 V108 C109	L81-C85 VanDerWaalsContact O-CB 3.28Å; L81-C85 WeakPolarHBondContact O-CB 3.24Å; L81-C85 PolarHBondContact O-N 3.38Å; N82-C85 WeakPolarHBondContact O-CB 3.47Å; N82-C85 PolarHBondContact O-N 2.05Å; T83-C85 PolarHBondContact O-N 3.01Å; C85-K89 WeakPolarHBondContact O-CG 3.43Å; C85-K89 PolarHBondContact O-N 3.27Å; C85-K89 VanDerWaalsContact O-N 3.12Å; C85-V108 HydrophobicContact CB-CG1 4.18Å; C85-C109 HydrophobicContact CB-CB 3.99Å; C85-C109 WeakPolarHBondContact CB-SG 3.47Å; C85-C109 VanDerWaalsContact SG-CA 3.56Å; C85-C109 WeakPolarHBondContact SG-CB 3.2Å; C85-C109 CovalentContact SG-SG 2.02Å; C85-C109 PolarHBondContact SG-SG 3.08Å
86	Q	77.8	Confident	74	Confident	102 Å²	102	85 Å²	85	48%	0.477	41%	0.412	S	S	.	.	H	α-helix	trans	-67.9	-41.7	177.7	-66.4	-63.7	-10.8	0	0	111.8	N82 T83 A84 L88 K89 H90	N82-Q86 WeakPolarHBondContact O-CG 3.05Å; N82-Q86 PolarHBondContact O-N 2.92Å; T83-Q86 PolarHBondContact O-N 3.47Å; A84-Q86 PolarHBondContact O-N 2.84Å; Q86-L88 PolarHBondContact O-N 3.32Å; Q86-K89 PolarHBondContact O-N 3.11Å; Q86-H90 PolarHBondContact O-CD2 2.66Å; Q86-H90 PolarHBondContact O-N 3.48Å; Q86-H90 VanDerWaalsContact O-N 3.15Å
87	L	79.1	Confident	74.4	Confident	94 Å²	94	84.5 Å²	84.5	49%	0.492	41%	0.41	S	S	.	.	H	α-helix	trans	-60.3	-45.8	176.9	-172	127.1	0	0	0	111.2	T83 A84 K89 H90 L91 I269	T83-L87 WeakPolarHBondContact O-CB 3.46Å; T83-L87 PolarHBondContact O-N 3.25Å; A84-L87 PolarHBondContact O-N 3.49Å; L87-K89 PolarHBondContact O-N 2.99Å; L87-H90 PolarHBondContact O-N 3.46Å; L87-L91 HydrophobicContact CD2-CD1 4.1Å; L87-L91 WeakPolarHBondContact O-CB 3.18Å; L87-L91 PolarHBondContact O-N 2.76Å; L87-I269 HydrophobicContact CD2-CG2 4.29Å
88	L	74	Confident	74.8	Confident	22 Å²	22	84.2 Å²	84.2	12%	0.115	41%	0.409	C	S	.	.	H	α-helix	trans	-65.7	-36.9	178.7	-73.1	164.3	0	0	0	113.3	A84 Q86 I104 A105 V108 L266	A84-L88 WeakPolarHBondContact O-CB 3.46Å; A84-L88 WeakPolarHBondContact O-CD1 3.18Å; A84-L88 VanDerWaalsContact O-CG 3.28Å; A84-L88 WeakPolarHBondContact O-CG 3.4Å; A84-L88 PolarHBondContact O-N 2.86Å; Q86-L88 PolarHBondContact O-N 3.32Å; L88-I104 HydrophobicContact CD1-CG2 4.03Å; L88-I104 HydrophobicContact CD2-CG2 4.31Å; L88-A105 HydrophobicContact CB-CB 3.92Å; L88-V108 HydrophobicContact CD1-CB 4.08Å; L88-V108 HydrophobicContact CD1-CG1 4.24Å; L88-V108 HydrophobicContact CD1-CG2 3.82Å; L88-L266 HydrophobicContact CD2-CD2 3.76Å
89	K	74.6	Confident	75.3	Confident	109 Å²	109	91.8 Å²	91.8	47%	0.474	44%	0.437	S	S	.	.	H	α-helix	trans	-63.9	-40.9	175.5	-81.9	179.7	173.5	174.5	0	112.7	C85 Q86 L87 R101 A105 C109	C85-K89 WeakPolarHBondContact O-CG 3.43Å; C85-K89 PolarHBondContact O-N 3.27Å; C85-K89 VanDerWaalsContact O-N 3.12Å; Q86-K89 PolarHBondContact O-N 3.11Å; L87-K89 PolarHBondContact O-N 2.99Å; K89-R101 PolarHBondContact O-NH1 3.03Å; K89-A105 HydrophobicContact CG-CB 4.19Å; K89-C109 VanDerWaalsContact CE-SG 3.56Å
90	H	76	Confident	75.6	Confident	149 Å²	149	85.8 Å²	85.8	69%	0.69	41%	0.409	S	S	*	.	H	α-helix	trans	-92.3	-8.1	-177.9	-66.9	-49.4	0	0	0	113.8	Q86 L87 R92	Q86-H90 PolarHBondContact O-CD2 2.66Å; Q86-H90 PolarHBondContact O-N 3.48Å; Q86-H90 VanDerWaalsContact O-N 3.15Å; L87-H90 PolarHBondContact O-N 3.46Å; H90-R92 PolarHBondContact O-N 3.22Å; H90-R92 VanDerWaalsContact O-N 3.11Å
91	L	74	Confident	75.9	Confident	26 Å²	26	80 Å²	80	14%	0.136	38%	0.383	C	S	.	.			trans	-58.1	117.3	175.6	-160	99.5	0	0	0	109	L87 D93 I96 R101 L266 I269	L87-L91 HydrophobicContact CD2-CD1 4.1Å; L87-L91 WeakPolarHBondContact O-CB 3.18Å; L87-L91 PolarHBondContact O-N 2.76Å; L91-D93 HydrophobicContact CD2-CB 4.32Å; L91-I96 HydrophobicContact CD2-CD1 3.86Å; L91-R101 WeakPolarHBondContact O-CD 3.08Å; L91-R101 VanDerWaalsContact O-CZ 3.3Å; L91-R101 PolarHBondContact O-NE 3.31Å; L91-R101 PolarHBondContact O-NH1 3.26Å; L91-L266 HydrophobicContact CD2-CD2 4.23Å; L91-I269 HydrophobicContact CD1-CD1 4.17Å; L91-I269 HydrophobicContact CD1-CG2 3.76Å; L91-I269 HydrophobicContact CD2-CD1 3.89Å
92	R	70.4	Confident	76.4	Confident	230 Å²	230	83 Å²	83	87%	0.868	40%	0.395	S	S	*	.			trans	-117.2	94.2	175.9	-164	175.1	-172.6	179.8	1.9	107.4	H90	H90-R92 PolarHBondContact O-N 3.22Å; H90-R92 VanDerWaalsContact O-N 3.11Å
93	D	71.2	Confident	76.6	Confident	49 Å²	49	80.8 Å²	80.8	26%	0.262	38%	0.384	S	S	.	.			trans	-122.9	116.1	174.6	-172.8	-16.8	0	0	0	107.4	L91 K95 I96	L91-D93 HydrophobicContact CD2-CB 4.32Å; D93-K95 PolarHBondContact O-N 3.43Å; D93-K95 VanDerWaalsContact O-N 3.09Å; D93-K95 WeakPolarHBondContact OD1-CB 3.38Å; D93-K95 PolarHBondContact OD1-N 2.7Å; D93-I96 HydrophobicContact CB-CD1 4.07Å; D93-I96 HydrophobicContact CB-CG1 4.28Å; D93-I96 PolarHBondContact O-N 3.42Å
94	D	71.8	Confident	76.7	Confident	158 Å²	158	77.8 Å²	77.8	85%	0.845	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-11.8	-178.1	-66.1	-25.9	0	0	0	112.6
95	K	76.6	Confident	76.8	Confident	147 Å²	147	76.2 Å²	76.2	64%	0.639	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-21.3	-177.4	-60.2	-175.3	174.7	175	0	114.1	D93 R265	D93-K95 PolarHBondContact O-N 3.43Å; D93-K95 VanDerWaalsContact O-N 3.09Å; D93-K95 WeakPolarHBondContact OD1-CB 3.38Å; D93-K95 PolarHBondContact OD1-N 2.7Å; K95-R265 VanDerWaalsContact CB-NH1 3.3Å; K95-R265 PolarHBondContact O-NH1 3.01Å
96	I	77.2	Confident	76.7	Confident	7 Å²	7	79.5 Å²	79.5	4%	0.036	37%	0.368	C	S	.	.	S	Bend	trans	-91.6	132.2	-179.7	-61.7	171.2	0	0	0	108.1	L91 D93 D98 R101 D262 R265 L266 I269	L91-I96 HydrophobicContact CD2-CD1 3.86Å; D93-I96 HydrophobicContact CB-CD1 4.07Å; D93-I96 HydrophobicContact CB-CG1 4.28Å; D93-I96 PolarHBondContact O-N 3.42Å; I96-D98 PolarHBondContact O-N 2.96Å; I96-R101 HydrophobicContact CG2-CB 4.23Å; I96-D262 HydrophobicContact CG2-CB 4.36Å; I96-R265 HydrophobicContact CD1-CB 4.21Å; I96-R265 HydrophobicContact CG1-CB 4.28Å; I96-L266 HydrophobicContact CD1-CD2 3.95Å; I96-L266 HydrophobicContact CD1-CG 4.1Å; I96-I269 HydrophobicContact CD1-CD1 3.95Å
97	D	80.7	Confident	76.5	Confident	74 Å²	74	75.6 Å²	75.6	40%	0.396	35%	0.352	S	S	.	.			trans	-58.7	128.7	177.6	-178	25.2	0	0	0	111	R99 C100 R101 D262	D97-R99 PolarHBondContact O-N 2.78Å; D97-R99 PolarHBondContact OD1-N 3.47Å; D97-C100 HydrophobicContact CB-CB 4.19Å; D97-C100 PolarHBondContact O-N 3.07Å; D97-R101 PolarHBondContact O-N 3.17Å; D97-D262 PolarHBondContact N-OD1 3.39Å
98	D	79.2	Confident	76.2	Confident	87 Å²	87	72.5 Å²	72.5	47%	0.465	34%	0.337	S	S	.	.	H	α-helix	trans	-60	-33.6	-178	-95.8	-37.3	0	0	0	111.7	I96 R101 Q102	I96-D98 PolarHBondContact O-N 2.96Å; D98-R101 IonicContact OD1-CZ 3.56Å; D98-R101 IonicContact OD1-NE 2.66Å; D98-R101 PolarHBondContact OD1-NE 2.93Å; D98-R101 IonicContact OD1-NH2 3.46Å; D98-R101 PolarHBondContact OD1-NH2 3.31Å; D98-Q102 WeakPolarHBondContact O-CB 3.25Å; D98-Q102 WeakPolarHBondContact O-CG 3.4Å; D98-Q102 PolarHBondContact O-N 3.45Å
99	R	80.8	Confident	76	Confident	167 Å²	167	71.9 Å²	71.9	63%	0.63	33%	0.334	S	S	*	.	H	α-helix	trans	-68.7	-46.7	177.2	-63.7	-178.9	175.1	-170.7	-0.9	111.3	D97 Q102 D103 T257	D97-R99 PolarHBondContact O-N 2.78Å; D97-R99 PolarHBondContact OD1-N 3.47Å; R99-Q102 PolarHBondContact O-N 3.36Å; R99-D103 PolarHBondContact O-N 3.4Å; R99-T257 HydrophobicContact CB-CG2 4.18Å
100	C	82.9	Confident	75.7	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-58.3	-48.4	174	173	0	0	0	0	112	D97 Q102 D103 I104 T257 C258	D97-C100 HydrophobicContact CB-CB 4.19Å; D97-C100 PolarHBondContact O-N 3.07Å; C100-Q102 VanDerWaalsContact C-N 3.33Å; C100-Q102 PolarHBondContact O-N 3.3Å; C100-D103 PolarHBondContact O-N 3.46Å; C100-I104 WeakPolarHBondContact O-CG1 3.46Å; C100-I104 PolarHBondContact O-N 3.03Å; C100-T257 WeakPolarHBondContact CA-OG1 3.06Å; C100-C258 VanDerWaalsContact CA-SG 3.5Å; C100-C258 HydrophobicContact CB-CB 3.99Å; C100-C258 WeakPolarHBondContact CB-SG 3.32Å; C100-C258 WeakPolarHBondContact SG-CA 3.39Å; C100-C258 WeakPolarHBondContact SG-CB 3.32Å; C100-C258 CovalentContact SG-SG 2.04Å; C100-C258 PolarHBondContact SG-SG 3.3Å
101	R	81.3	Confident	75.4	Confident	39 Å²	39	61.6 Å²	61.6	15%	0.147	29%	0.292	C	S	.	.	H	α-helix	trans	-56.9	-45.9	177.8	-177.9	179	65.8	101.1	2	111.9	K89 L91 I96 D97 D98 A105	K89-R101 PolarHBondContact O-NH1 3.03Å; L91-R101 WeakPolarHBondContact O-CD 3.08Å; L91-R101 VanDerWaalsContact O-CZ 3.3Å; L91-R101 PolarHBondContact O-NE 3.31Å; L91-R101 PolarHBondContact O-NH1 3.26Å; I96-R101 HydrophobicContact CG2-CB 4.23Å; D97-R101 PolarHBondContact O-N 3.17Å; D98-R101 IonicContact OD1-CZ 3.56Å; D98-R101 IonicContact OD1-NE 2.66Å; D98-R101 PolarHBondContact OD1-NE 2.93Å; D98-R101 IonicContact OD1-NH2 3.46Å; D98-R101 PolarHBondContact OD1-NH2 3.31Å; R101-A105 VanDerWaalsContact O-CB 3.28Å; R101-A105 WeakPolarHBondContact O-CB 3.44Å; R101-A105 PolarHBondContact O-N 3.43Å
102	Q	79	Confident	75.1	Confident	100 Å²	100	60.3 Å²	60.3	47%	0.467	29%	0.286	S	S	.	.	H	α-helix	trans	-63.7	-42.8	178.4	-75.2	172.8	15	0	0	112.2	D98 R99 C100 A105 L106	D98-Q102 WeakPolarHBondContact O-CB 3.25Å; D98-Q102 WeakPolarHBondContact O-CG 3.4Å; D98-Q102 PolarHBondContact O-N 3.45Å; R99-Q102 PolarHBondContact O-N 3.36Å; C100-Q102 VanDerWaalsContact C-N 3.33Å; C100-Q102 PolarHBondContact O-N 3.3Å; Q102-A105 PolarHBondContact O-N 3.49Å; Q102-L106 WeakPolarHBondContact O-CB 3.33Å; Q102-L106 PolarHBondContact O-N 2.81Å
103	D	78.2	Confident	74.9	Confident	4 Å²	4	54 Å²	54	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-72.2	-34.2	-178.5	-71.3	-21.1	0	0	0	112.4	R99 C100 S107 R195 V208 P255 T257	R99-D103 PolarHBondContact O-N 3.4Å; C100-D103 PolarHBondContact O-N 3.46Å; D103-S107 WeakPolarHBondContact O-CB 3.42Å; D103-S107 PolarHBondContact O-N 2.73Å; D103-S107 PolarHBondContact O-OG 3.2Å; D103-R195 IonicContact OD1-CZ 3.74Å; D103-R195 IonicContact OD1-NE 3.72Å; D103-R195 PolarHBondContact OD1-NE 3.06Å; D103-R195 IonicContact OD1-NH2 3.21Å; D103-R195 PolarHBondContact OD1-NH2 3.33Å; D103-R195 IonicContact OD2-NH2 3.88Å; D103-R195 PolarHBondContact OD2-NH2 3.33Å; D103-V208 HydrophobicContact CB-CG1 4.38Å; D103-P255 HydrophobicContact CB-CB 3.65Å; D103-P255 HydrophobicContact CB-CG 3.72Å; D103-T257 WeakPolarHBondContact OD2-CG2 3.32Å; D103-T257 PolarHBondContact OD2-OG1 3.17Å
104	I	79.6	Confident	74.6	Confident	24 Å²	24	53.7 Å²	53.7	12%	0.123	27%	0.267	C	S	.	.	H	α-helix	trans	-68.1	-46.4	170.9	-70.5	178.1	0	0	0	110.9	L88 C100 L106 S107 V108 P255 C258 L266	L88-I104 HydrophobicContact CD1-CG2 4.03Å; L88-I104 HydrophobicContact CD2-CG2 4.31Å; C100-I104 WeakPolarHBondContact O-CG1 3.46Å; C100-I104 PolarHBondContact O-N 3.03Å; I104-L106 VanDerWaalsContact C-N 3.26Å; I104-L106 PolarHBondContact O-N 3.06Å; I104-S107 PolarHBondContact O-N 3.4Å; I104-S107 PolarHBondContact O-OG 2.67Å; I104-V108 HydrophobicContact CG2-CG2 4.34Å; I104-V108 WeakPolarHBondContact O-CG2 3.42Å; I104-V108 PolarHBondContact O-N 2.76Å; I104-P255 HydrophobicContact CG1-CG 4.18Å; I104-C258 WeakPolarHBondContact CD1-SG 3.28Å; I104-L266 HydrophobicContact CD1-CD1 3.26Å
105	A	74.8	Confident	74.2	Confident	5 Å²	5	48.1 Å²	48.1	4%	0.041	24%	0.237	C	C	.	.	H	α-helix	trans	-58.2	-44.1	175.4	0	0	0	0	0	110.6	L88 K89 R101 Q102 S107 V108 C109	L88-A105 HydrophobicContact CB-CB 3.92Å; K89-A105 HydrophobicContact CG-CB 4.19Å; R101-A105 VanDerWaalsContact O-CB 3.28Å; R101-A105 WeakPolarHBondContact O-CB 3.44Å; R101-A105 PolarHBondContact O-N 3.43Å; Q102-A105 PolarHBondContact O-N 3.49Å; A105-S107 PolarHBondContact O-N 3.41Å; A105-V108 PolarHBondContact O-N 2.78Å; A105-C109 WeakPolarHBondContact O-CB 3.29Å; A105-C109 PolarHBondContact O-N 3.45Å; A105-C109 PolarHBondContact O-SG 3.33Å
106	L	72.5	Confident	73.6	Confident	77 Å²	77	44.6 Å²	44.6	40%	0.403	23%	0.225	S	C	.	.	H	α-helix	trans	-65.1	-40.1	-179.5	-170.3	137.2	0	0	0	112.1	Q102 I104 A110 F160	Q102-L106 WeakPolarHBondContact O-CB 3.33Å; Q102-L106 PolarHBondContact O-N 2.81Å; I104-L106 VanDerWaalsContact C-N 3.26Å; I104-L106 PolarHBondContact O-N 3.06Å; L106-A110 VanDerWaalsContact O-CB 3.3Å; L106-A110 WeakPolarHBondContact O-CB 3.43Å; L106-A110 PolarHBondContact O-N 3.27Å; L106-F160 HydrophobicContact CD2-CD2 4.29Å; L106-F160 HydrophobicContact CD2-CE1 3.86Å; L106-F160 HydrophobicContact CD2-CE2 3.24Å; L106-F160 HydrophobicContact CD2-CZ 3Å; L106-F160 HydrophobicContact CG-CZ 4.46Å
107	S	72	Confident	72.9	Confident	19 Å²	19	45.7 Å²	45.7	13%	0.133	24%	0.238	C	C	.	.	H	α-helix	trans	-65.3	-50.2	174.3	67.2	0	0	0	0	112	D103 I104 A105 C109 A110 V111 F160	D103-S107 WeakPolarHBondContact O-CB 3.42Å; D103-S107 PolarHBondContact O-N 2.73Å; D103-S107 PolarHBondContact O-OG 3.2Å; I104-S107 PolarHBondContact O-N 3.4Å; I104-S107 PolarHBondContact O-OG 2.67Å; A105-S107 PolarHBondContact O-N 3.41Å; S107-C109 PolarHBondContact O-N 3.42Å; S107-A110 WeakPolarHBondContact O-CB 3.46Å; S107-A110 PolarHBondContact O-N 3.44Å; S107-V111 WeakPolarHBondContact O-CG2 3.33Å; S107-V111 PolarHBondContact O-N 2.93Å; S107-F160 VanDerWaalsContact CB-CD1 3.42Å
108	V	72.9	Confident	71.8	Confident	30 Å²	30	45.2 Å²	45.2	18%	0.182	24%	0.238	C	C	.	.	H	α-helix	trans	-60.9	-43.7	178.8	175.1	0	0	0	0	111.6	L81 A84 C85 L88 I104 A105 V111 G112	L81-V108 HydrophobicContact CD2-CG1 4.37Å; A84-V108 HydrophobicContact CB-CG1 4.21Å; C85-V108 HydrophobicContact CB-CG1 4.18Å; L88-V108 HydrophobicContact CD1-CB 4.08Å; L88-V108 HydrophobicContact CD1-CG1 4.24Å; L88-V108 HydrophobicContact CD1-CG2 3.82Å; I104-V108 HydrophobicContact CG2-CG2 4.34Å; I104-V108 WeakPolarHBondContact O-CG2 3.42Å; I104-V108 PolarHBondContact O-N 2.76Å; A105-V108 PolarHBondContact O-N 2.78Å; V108-V111 PolarHBondContact O-N 3.26Å; V108-G112 PolarHBondContact O-N 3.49Å
109	C	71.2	Confident	70.8	Confident	8 Å²	8	42.1 Å²	42.1	5%	0.054	22%	0.222	C	C	.	.	H	α-helix	trans	-65.4	-37.6	177.1	-64.2	0	0	0	0	112.5	C85 K89 A105 S107 V111 G112 N113	C85-C109 HydrophobicContact CB-CB 3.99Å; C85-C109 WeakPolarHBondContact CB-SG 3.47Å; C85-C109 VanDerWaalsContact SG-CA 3.56Å; C85-C109 WeakPolarHBondContact SG-CB 3.2Å; C85-C109 CovalentContact SG-SG 2.02Å; C85-C109 PolarHBondContact SG-SG 3.08Å; K89-C109 VanDerWaalsContact CE-SG 3.56Å; A105-C109 WeakPolarHBondContact O-CB 3.29Å; A105-C109 PolarHBondContact O-N 3.45Å; A105-C109 PolarHBondContact O-SG 3.33Å; S107-C109 PolarHBondContact O-N 3.42Å; C109-V111 VanDerWaalsContact C-N 3.29Å; C109-V111 PolarHBondContact O-N 3.28Å; C109-G112 PolarHBondContact O-N 3.25Å; C109-N113 WeakPolarHBondContact O-CB 3.35Å; C109-N113 VanDerWaalsContact O-CG 3.24Å; C109-N113 PolarHBondContact O-N 3.45Å; C109-N113 PolarHBondContact O-ND2 3.48Å
110	A	68.5	Low	69.6	Low	14 Å²	14	37.4 Å²	37.4	12%	0.116	22%	0.215	C	C	.	.	H	α-helix	trans	-60.6	-41.5	176.5	0	0	0	0	0	111.1	L106 S107 N113 L114 V157 F160	L106-A110 VanDerWaalsContact O-CB 3.3Å; L106-A110 WeakPolarHBondContact O-CB 3.43Å; L106-A110 PolarHBondContact O-N 3.27Å; S107-A110 WeakPolarHBondContact O-CB 3.46Å; S107-A110 PolarHBondContact O-N 3.44Å; A110-N113 PolarHBondContact O-N 2.94Å; A110-L114 PolarHBondContact O-N 3.36Å; A110-V157 WeakPolarHBondContact O-CG1 3.48Å; A110-F160 HydrophobicContact CB-CB 4.19Å; A110-F160 HydrophobicContact CB-CD2 3.82Å; A110-F160 HydrophobicContact CB-CG 4.12Å
111	V	68.8	Low	68.2	Low	28 Å²	28	41.1 Å²	41.1	17%	0.17	23%	0.231	C	C	.	.	H	α-helix	trans	-68.5	-45.2	178.6	-177.7	0	0	0	0	112	L81 S107 V108 C109 N113 L114 L115 I164	L81-V111 HydrophobicContact CD1-CG1 4.02Å; S107-V111 WeakPolarHBondContact O-CG2 3.33Å; S107-V111 PolarHBondContact O-N 2.93Å; V108-V111 PolarHBondContact O-N 3.26Å; C109-V111 VanDerWaalsContact C-N 3.29Å; C109-V111 PolarHBondContact O-N 3.28Å; V111-N113 VanDerWaalsContact C-N 3.29Å; V111-N113 PolarHBondContact O-N 2.93Å; V111-L114 WeakPolarHBondContact O-CB 3.31Å; V111-L114 PolarHBondContact O-N 3.46Å; V111-L114 VanDerWaalsContact O-N 3.16Å; V111-L115 HydrophobicContact CG1-CD1 4.25Å; V111-L115 PolarHBondContact O-N 3.01Å; V111-I164 HydrophobicContact CB-CD1 4.25Å; V111-I164 HydrophobicContact CG1-CD1 4.02Å; V111-I164 HydrophobicContact CG2-CD1 3.17Å; V111-I164 HydrophobicContact CG2-CG1 4.23Å
112	G	66.8	Low	66.8	Low	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-57.2	-44.4	174.6	0	0	0	0	0	111.7	V108 C109 L115 N116	V108-G112 PolarHBondContact O-N 3.49Å; C109-G112 PolarHBondContact O-N 3.25Å; G112-L115 PolarHBondContact O-N 3.08Å; G112-N116 VanDerWaalsContact O-CB 3.27Å; G112-N116 WeakPolarHBondContact O-CB 3.48Å; G112-N116 PolarHBondContact O-N 3.47Å
113	N	66.9	Low	65.4	Low	97 Å²	97	40.5 Å²	40.5	52%	0.519	24%	0.237	S	C	.	.	H	α-helix	trans	-65.9	-36.8	175.9	-73.3	-28.3	0	0	0	113	C109 A110 V111 G117	C109-N113 WeakPolarHBondContact O-CB 3.35Å; C109-N113 VanDerWaalsContact O-CG 3.24Å; C109-N113 PolarHBondContact O-N 3.45Å; C109-N113 PolarHBondContact O-ND2 3.48Å; A110-N113 PolarHBondContact O-N 2.94Å; V111-N113 VanDerWaalsContact C-N 3.29Å; V111-N113 PolarHBondContact O-N 2.93Å; N113-G117 PolarHBondContact O-N 3.49Å
114	L	64.6	Low	64.2	Low	42 Å²	42	47 Å²	47	22%	0.22	27%	0.266	C	S	.	.	H	α-helix	trans	-57.5	-57.2	175	-173.2	58	0	0	0	110.2	A110 V111 G117 T118 I153 V157 V161	A110-L114 PolarHBondContact O-N 3.36Å; V111-L114 WeakPolarHBondContact O-CB 3.31Å; V111-L114 PolarHBondContact O-N 3.46Å; V111-L114 VanDerWaalsContact O-N 3.16Å; L114-G117 PolarHBondContact O-N 2.75Å; L114-T118 PolarHBondContact O-N 2.94Å; L114-T118 PolarHBondContact O-OG1 2.86Å; L114-I153 HydrophobicContact CD1-CG2 3.43Å; L114-I153 VanDerWaalsContact CD1-CG2 3.43Å; L114-V157 HydrophobicContact CB-CG1 3.44Å; L114-V157 VanDerWaalsContact CB-CG1 3.44Å; L114-V157 HydrophobicContact CD1-CB 4.17Å; L114-V157 HydrophobicContact CD1-CG1 3.74Å; L114-V157 HydrophobicContact CD2-CG1 4.42Å; L114-V157 HydrophobicContact CG-CG1 4.04Å; L114-V161 HydrophobicContact CD2-CG2 3.86Å
115	L	64.7	Low	62.8	Low	41 Å²	41	48.4 Å²	48.4	22%	0.215	27%	0.274	C	S	.	.	H	α-helix	trans	-65.9	-39.8	-175.3	-70.2	170.5	0	0	0	111.3	L77 V78 L81 V111 G112 G117 T118 V119	L77-L115 HydrophobicContact CD2-CD1 3.94Å; L77-L115 HydrophobicContact CG-CD1 4.35Å; V78-L115 HydrophobicContact CG2-CB 3.41Å; V78-L115 VanDerWaalsContact CG2-CB 3.41Å; L81-L115 HydrophobicContact CD1-CD1 3.4Å; L81-L115 VanDerWaalsContact CD1-CD1 3.4Å; V111-L115 HydrophobicContact CG1-CD1 4.25Å; V111-L115 PolarHBondContact O-N 3.01Å; G112-L115 PolarHBondContact O-N 3.08Å; L115-G117 VanDerWaalsContact C-N 3.31Å; L115-G117 PolarHBondContact O-N 3.41Å; L115-T118 WeakPolarHBondContact CA-OG1 3.49Å; L115-T118 PolarHBondContact O-N 3.12Å; L115-T118 PolarHBondContact O-OG1 3.02Å; L115-V119 WeakPolarHBondContact O-CB 3.47Å; L115-V119 WeakPolarHBondContact O-CG2 3.18Å; L115-V119 PolarHBondContact O-N 2.86Å
116	N	63.8	Low	61.5	Low	73 Å²	73	52.3 Å²	52.3	39%	0.39	30%	0.299	S	S	.	.	H	α-helix	trans	-62.4	-41.2	174.4	-166.2	27.8	0	0	0	111.3	V78 G112 V119 S120	V78-N116 HydrophobicContact CG1-CB 3.8Å; G112-N116 VanDerWaalsContact O-CB 3.27Å; G112-N116 WeakPolarHBondContact O-CB 3.48Å; G112-N116 PolarHBondContact O-N 3.47Å; N116-V119 PolarHBondContact O-N 3.41Å; N116-S120 WeakPolarHBondContact O-CB 3.46Å; N116-S120 PolarHBondContact O-N 2.98Å
117	G	61	Low	60.5	Low	30 Å²	30	55 Å²	55	31%	0.309	31%	0.314	S	S	.	.	H	α-helix	trans	-62.7	-44.1	175.5	0	0	0	0	0	113.1	N113 L114 L115 K121	N113-G117 PolarHBondContact O-N 3.49Å; L114-G117 PolarHBondContact O-N 2.75Å; L115-G117 VanDerWaalsContact C-N 3.31Å; L115-G117 PolarHBondContact O-N 3.41Å; G117-K121 VanDerWaalsContact O-CB 3.28Å; G117-K121 WeakPolarHBondContact O-CB 3.28Å; G117-K121 WeakPolarHBondContact O-CG 3.34Å; G117-K121 PolarHBondContact O-N 2.89Å; G117-K121 VanDerWaalsContact O-N 3.12Å
118	T	59.2	Low	59.7	Low	64 Å²	64	59 Å²	59	39%	0.393	34%	0.338	S	S	.	.	H	α-helix	trans	-66	-46.5	174.8	13.6	0	0	0	0	111.8	L114 L115 K121 V122	L114-T118 PolarHBondContact O-N 2.94Å; L114-T118 PolarHBondContact O-OG1 2.86Å; L115-T118 WeakPolarHBondContact CA-OG1 3.49Å; L115-T118 PolarHBondContact O-N 3.12Å; L115-T118 PolarHBondContact O-OG1 3.02Å; T118-K121 PolarHBondContact O-N 2.76Å; T118-V122 WeakPolarHBondContact O-CB 3.06Å; T118-V122 VanDerWaalsContact O-CG2 3.27Å; T118-V122 WeakPolarHBondContact O-CG2 3.09Å; T118-V122 PolarHBondContact O-N 3.42Å
119	V	56.4	Low	58.3	Low	22 Å²	22	60.5 Å²	60.5	13%	0.133	34%	0.344	C	S	.	.	H	α-helix	trans	-61.7	-49.4	179.8	170.2	0	0	0	0	111.2	I74 K75 V78 L115 N116 K121 V122 L123	I74-V119 HydrophobicContact CB-CG2 4.25Å; I74-V119 HydrophobicContact CG2-CG2 3.26Å; K75-V119 HydrophobicContact CG-CG1 4.16Å; V78-V119 HydrophobicContact CG2-CG2 4.29Å; L115-V119 WeakPolarHBondContact O-CB 3.47Å; L115-V119 WeakPolarHBondContact O-CG2 3.18Å; L115-V119 PolarHBondContact O-N 2.86Å; N116-V119 PolarHBondContact O-N 3.41Å; V119-K121 VanDerWaalsContact C-N 3.31Å; V119-K121 PolarHBondContact O-N 3.42Å; V119-V122 PolarHBondContact O-N 3.23Å; V119-L123 HydrophobicContact CG1-CD1 3.63Å; V119-L123 WeakPolarHBondContact O-CB 3.12Å; V119-L123 WeakPolarHBondContact O-CD1 3.49Å; V119-L123 PolarHBondContact O-N 2.78Å
120	S	55.9	Low	57.7	Low	69 Å²	69	67.7 Å²	67.7	48%	0.483	38%	0.381	S	S	.	.	H	α-helix	trans	-63	-38.2	-179.4	-169.6	0	0	0	0	111.6	N116 H124	N116-S120 WeakPolarHBondContact O-CB 3.46Å; N116-S120 PolarHBondContact O-N 2.98Å; S120-H124 WeakPolarHBondContact O-CB 3.4Å; S120-H124 PolarHBondContact O-N 2.77Å
121	K	53.8	Low	57	Low	77 Å²	77	72.3 Å²	72.3	34%	0.335	40%	0.403	S	S	.	.	H	α-helix	trans	-71.9	-40.4	177.7	-74.8	176.4	170.3	-164.1	0	113.3	G117 T118 V119 H124 I125 W145 N149	G117-K121 VanDerWaalsContact O-CB 3.28Å; G117-K121 WeakPolarHBondContact O-CB 3.28Å; G117-K121 WeakPolarHBondContact O-CG 3.34Å; G117-K121 PolarHBondContact O-N 2.89Å; G117-K121 VanDerWaalsContact O-N 3.12Å; T118-K121 PolarHBondContact O-N 2.76Å; V119-K121 VanDerWaalsContact C-N 3.31Å; V119-K121 PolarHBondContact O-N 3.42Å; K121-H124 PolarHBondContact O-N 3.23Å; K121-I125 WeakPolarHBondContact O-CD1 3.36Å; K121-I125 VanDerWaalsContact O-CG1 3.3Å; K121-I125 WeakPolarHBondContact O-CG1 3.23Å; K121-I125 PolarHBondContact O-N 3.36Å; K121-W145 HydrophobicContact CB-CH2 4.33Å; K121-W145 HydrophobicContact CB-CZ3 4.21Å; K121-W145 HydrophobicContact CD-CH2 3.71Å; K121-W145 HydrophobicContact CD-CZ3 3.99Å; K121-W145 HydrophobicContact CG-CH2 4.07Å; K121-W145 HydrophobicContact CG-CZ3 4.4Å; K121-N149 PolarHBondContact NZ-OD1 3.11Å
122	V	52.3	Low	56.4	Low	77 Å²	77	77.4 Å²	77.4	47%	0.467	43%	0.43	S	S	.	.	H	α-helix	trans	-63.1	-42.8	173.9	172	0	0	0	0	110.7	T118 V119 H124 I125 C126	T118-V122 WeakPolarHBondContact O-CB 3.06Å; T118-V122 VanDerWaalsContact O-CG2 3.27Å; T118-V122 WeakPolarHBondContact O-CG2 3.09Å; T118-V122 PolarHBondContact O-N 3.42Å; V119-V122 PolarHBondContact O-N 3.23Å; V122-H124 PolarHBondContact O-N 3.39Å; V122-I125 PolarHBondContact O-N 3.06Å; V122-C126 PolarHBondContact O-N 3.15Å
123	L	49	Very low	55.9	Low	50 Å²	50	84.8 Å²	84.8	26%	0.262	47%	0.469	S	S	.	.	H	α-helix	trans	-63.3	-39.1	175.9	-87.6	151.3	0	0	0	112.8	V119 I125 C126 N127	V119-L123 HydrophobicContact CG1-CD1 3.63Å; V119-L123 WeakPolarHBondContact O-CB 3.12Å; V119-L123 WeakPolarHBondContact O-CD1 3.49Å; V119-L123 PolarHBondContact O-N 2.78Å; L123-I125 VanDerWaalsContact C-N 3.29Å; L123-I125 PolarHBondContact O-N 3.37Å; L123-C126 PolarHBondContact O-N 2.81Å; L123-N127 WeakPolarHBondContact O-CB 3.46Å; L123-N127 PolarHBondContact O-N 3.37Å
124	H	53.2	Low	55.3	Low	139 Å²	139	85.3 Å²	85.3	64%	0.644	47%	0.468	S	S	*	.	H	α-helix	trans	-68.2	-29.8	-179.9	-151.2	-39	0	0	0	112.7	S120 K121 V122	S120-H124 WeakPolarHBondContact O-CB 3.4Å; S120-H124 PolarHBondContact O-N 2.77Å; K121-H124 PolarHBondContact O-N 3.23Å; V122-H124 PolarHBondContact O-N 3.39Å
125	I	50.4	Low	54.8	Low	55 Å²	55	89.2 Å²	89.2	28%	0.282	48%	0.483	S	S	.	.	H	α-helix	trans	-76	-35.1	176.7	-65.8	164.6	0	0	0	111	K121 V122 L123 C138 T142 W145	K121-I125 WeakPolarHBondContact O-CD1 3.36Å; K121-I125 VanDerWaalsContact O-CG1 3.3Å; K121-I125 WeakPolarHBondContact O-CG1 3.23Å; K121-I125 PolarHBondContact O-N 3.36Å; V122-I125 PolarHBondContact O-N 3.06Å; L123-I125 VanDerWaalsContact C-N 3.29Å; L123-I125 PolarHBondContact O-N 3.37Å; I125-C138 VanDerWaalsContact CG2-SG 3.59Å; I125-T142 HydrophobicContact CD1-CG2 4.39Å; I125-T142 HydrophobicContact CG2-CG2 3.93Å; I125-W145 HydrophobicContact CD1-CE3 4.08Å; I125-W145 HydrophobicContact CD1-CZ3 4.08Å
126	C	48	Very low	54.3	Low	86 Å²	86	93.8 Å²	93.8	58%	0.581	50%	0.503	S	S	*	.	H	α-helix	trans	-82.1	-31.8	-179.1	-73.2	0	0	0	0	114.4	V122 L123 V128	V122-C126 PolarHBondContact O-N 3.15Å; L123-C126 PolarHBondContact O-N 2.81Å; C126-V128 PolarHBondContact O-N 2.85Å; C126-V128 VanDerWaalsContact O-N 3.14Å
127	N	52.1	Low	53.9	Low	133 Å²	133	98.7 Å²	98.7	71%	0.711	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-4.4	-174.4	-85.6	-2.3	0	0	0	115.1	L123	L123-N127 WeakPolarHBondContact O-CB 3.46Å; L123-N127 PolarHBondContact O-N 3.37Å
128	V	54	Low	53.7	Low	103 Å²	103	98.6 Å²	98.6	62%	0.624	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	-5.7	-174.4	-176.5	0	0	0	0	113.2	C126	C126-V128 PolarHBondContact O-N 2.85Å; C126-V128 VanDerWaalsContact O-N 3.14Å
129	L	44.1	Very low	53.4	Low	62 Å²	62	100.9 Å²	100.9	33%	0.325	52%	0.517	S	S	.	.			trans	-103.4	108.6	-169.2	-74.6	154.7	0	0	0	112.8	E134 C138	L129-E134 HydrophobicContact CD2-CB 3.32Å; L129-C138 HydrophobicContact CD1-CB 3.74Å; L129-C138 VanDerWaalsContact CD1-SG 3.58Å
130	I	58.4	Low	53.2	Low	160 Å²	160	105.8 Å²	105.8	82%	0.821	54%	0.542	S	S	*	.			trans	-97	-26.2	174	-66.2	175.3	0	0	0	112.1
131	D	52.7	Low	53.1	Low	110 Å²	110	108 Å²	108	59%	0.588	55%	0.545	S	S	*	.			trans	-114.9	138.9	-172.5	-76.9	-30.6	0	0	0	115.3	L133 E134 K135	D131-L133 PolarHBondContact O-N 3.21Å; D131-E134 PolarHBondContact O-N 3.14Å; D131-E134 VanDerWaalsContact O-N 3.15Å; D131-K135 PolarHBondContact O-N 3.47Å
132	D	57.1	Low	52.8	Low	135 Å²	135	106 Å²	106	72%	0.722	54%	0.539	S	S	*	.	H	α-helix	trans	-61.4	-25.9	-176.6	-84.6	-37.5	0	0	0	113.9	K135	D132-K135 WeakPolarHBondContact O-CB 3.2Å
133	L	57	Low	52.6	Low	156 Å²	156	107 Å²	107	82%	0.817	54%	0.542	S	S	*	.	H	α-helix	trans	-73.6	-32	178.8	-143.9	92.9	0	0	0	112.1	D131	D131-L133 PolarHBondContact O-N 3.21Å
134	E	54.3	Low	52.5	Low	107 Å²	107	111.7 Å²	111.7	50%	0.5	56%	0.56	S	S	.	*	H	α-helix	trans	-80.7	-23.4	177.3	-67.4	-170.1	148.9	0	0	112.2	L129 D131 Q136 R137 C138	L129-E134 HydrophobicContact CD2-CB 3.32Å; D131-E134 PolarHBondContact O-N 3.14Å; D131-E134 VanDerWaalsContact O-N 3.15Å; E134-Q136 VanDerWaalsContact C-N 3.3Å; E134-Q136 PolarHBondContact O-N 3.34Å; E134-R137 PolarHBondContact O-N 3.16Å; E134-C138 VanDerWaalsContact O-CB 3.27Å; E134-C138 WeakPolarHBondContact O-CB 3.38Å; E134-C138 PolarHBondContact O-N 3.33Å
135	K	53.1	Low	52.2	Low	125 Å²	125	110.4 Å²	110.4	54%	0.543	55%	0.55	S	S	.	.	H	α-helix	trans	-59.2	-39.4	174.3	-169	177.4	-178.3	177.1	0	112.5	D131 D132 Q139	D131-K135 PolarHBondContact O-N 3.47Å; D132-K135 WeakPolarHBondContact O-CB 3.2Å; K135-Q139 PolarHBondContact O-N 2.96Å; K135-Q139 VanDerWaalsContact O-N 3.16Å
136	Q	53.7	Low	52.1	Low	137 Å²	137	112 Å²	112	64%	0.64	56%	0.558	S	S	*	*	H	α-helix	trans	-74.7	-33.8	178.5	-132.4	177.2	2.8	0	0	112.2	E134 Q139 N140	E134-Q136 VanDerWaalsContact C-N 3.3Å; E134-Q136 PolarHBondContact O-N 3.34Å; Q136-Q139 PolarHBondContact O-N 3.27Å; Q136-N140 PolarHBondContact O-N 3.02Å
137	R	57.2	Low	51.9	Low	176 Å²	176	115.9 Å²	115.9	66%	0.664	56%	0.561	S	S	*	*	H	α-helix	trans	-69.5	-38.7	173.2	-165.9	175.3	-177.5	165.6	3.2	111.7	E134 Q139 N140 E141	E134-R137 PolarHBondContact O-N 3.16Å; R137-Q139 VanDerWaalsContact C-N 3.34Å; R137-Q139 PolarHBondContact O-N 2.8Å; R137-N140 PolarHBondContact O-N 3.17Å; R137-E141 IonicContact NE-OE1 3.15Å; R137-E141 PolarHBondContact O-N 3.26Å
138	C	55.3	Low	51.5	Low	27 Å²	27	114.4 Å²	114.4	18%	0.182	55%	0.554	C	S	.	*	H	α-helix	trans	-61.7	-38.4	173.7	-178.2	0	0	0	0	111.9	I125 L129 E134 N140 E141 T142	I125-C138 VanDerWaalsContact CG2-SG 3.59Å; L129-C138 HydrophobicContact CD1-CB 3.74Å; L129-C138 VanDerWaalsContact CD1-SG 3.58Å; E134-C138 VanDerWaalsContact O-CB 3.27Å; E134-C138 WeakPolarHBondContact O-CB 3.38Å; E134-C138 PolarHBondContact O-N 3.33Å; C138-N140 PolarHBondContact O-N 3.49Å; C138-E141 PolarHBondContact O-N 3.43Å; C138-T142 WeakPolarHBondContact O-CB 3.46Å; C138-T142 PolarHBondContact O-N 3.4Å; C138-T142 PolarHBondContact O-OG1 3.33Å
139	Q	53.1	Low	51	Low	113 Å²	113	111 Å²	111	53%	0.528	53%	0.532	S	S	.	.	H	α-helix	trans	-59.7	-44.4	174.4	-77	179	-22.5	0	0	112.5	K135 Q136 R137 T142 D143	K135-Q139 PolarHBondContact O-N 2.96Å; K135-Q139 VanDerWaalsContact O-N 3.16Å; Q136-Q139 PolarHBondContact O-N 3.27Å; R137-Q139 VanDerWaalsContact C-N 3.34Å; R137-Q139 PolarHBondContact O-N 2.8Å; Q139-T142 VanDerWaalsContact CA-OG1 3.27Å; Q139-T142 WeakPolarHBondContact CA-OG1 3.4Å; Q139-T142 PolarHBondContact O-OG1 2.9Å; Q139-D143 PolarHBondContact O-N 3.49Å
140	N	52.6	Low	51	Low	124 Å²	124	112.5 Å²	112.5	66%	0.663	54%	0.539	S	S	*	.	H	α-helix	trans	-72.5	-32.7	179.5	-71.4	-17.4	0	0	0	113	Q136 R137 C138	Q136-N140 PolarHBondContact O-N 3.02Å; R137-N140 PolarHBondContact O-N 3.17Å; C138-N140 PolarHBondContact O-N 3.49Å
141	E	53.2	Low	49.9	Very low	117 Å²	117	112.9 Å²	112.9	55%	0.547	53%	0.531	S	S	.	.	H	α-helix	trans	-77.7	-31.3	175.4	-75.1	179.4	-173.3	0	0	112.5	R137 C138 K144 W145	R137-E141 IonicContact NE-OE1 3.15Å; R137-E141 PolarHBondContact O-N 3.26Å; C138-E141 PolarHBondContact O-N 3.43Å; E141-K144 PolarHBondContact O-N 3.15Å; E141-W145 VanDerWaalsContact O-CB 3.24Å; E141-W145 WeakPolarHBondContact O-CB 3.31Å; E141-W145 PolarHBondContact O-N 3.16Å
142	T	49	Very low	49.3	Very low	35 Å²	35	110.8 Å²	110.8	22%	0.215	53%	0.528	C	S	.	.	H	α-helix	trans	-65.6	-41.1	175.1	32.9	0	0	0	0	112	I125 C138 Q139 K144 W145 I146	I125-T142 HydrophobicContact CD1-CG2 4.39Å; I125-T142 HydrophobicContact CG2-CG2 3.93Å; C138-T142 WeakPolarHBondContact O-CB 3.46Å; C138-T142 PolarHBondContact O-N 3.4Å; C138-T142 PolarHBondContact O-OG1 3.33Å; Q139-T142 VanDerWaalsContact CA-OG1 3.27Å; Q139-T142 WeakPolarHBondContact CA-OG1 3.4Å; Q139-T142 PolarHBondContact O-OG1 2.9Å; T142-K144 VanDerWaalsContact C-N 3.34Å; T142-K144 PolarHBondContact O-N 2.83Å; T142-W145 PolarHBondContact O-N 2.79Å; T142-I146 VanDerWaalsContact O-CB 3.31Å; T142-I146 WeakPolarHBondContact O-CB 3.36Å; T142-I146 WeakPolarHBondContact O-CD1 3.23Å; T142-I146 WeakPolarHBondContact O-CG1 3.35Å; T142-I146 PolarHBondContact O-N 2.84Å
143	D	48.2	Very low	48.6	Very low	98 Å²	98	106.5 Å²	106.5	52%	0.524	51%	0.505	S	S	.	.	H	α-helix	trans	-57.6	-49.6	174.1	-79.1	-14.6	0	0	0	110.5	Q139 W145 I146 Y147	Q139-D143 PolarHBondContact O-N 3.49Å; D143-W145 VanDerWaalsContact C-N 3.35Å; D143-W145 PolarHBondContact O-N 2.83Å; D143-I146 PolarHBondContact O-N 2.8Å; D143-Y147 WeakPolarHBondContact O-CD2 3.41Å; D143-Y147 PolarHBondContact O-N 2.73Å
144	K	45.5	Very low	47.9	Very low	147 Å²	147	105.6 Å²	105.6	64%	0.639	49%	0.491	S	S	*	.	H	α-helix	trans	-62.1	-39.2	177.8	-165.4	175.8	-179.8	-179	0	112.7	E141 T142 Y147 D148	E141-K144 PolarHBondContact O-N 3.15Å; T142-K144 VanDerWaalsContact C-N 3.34Å; T142-K144 PolarHBondContact O-N 2.83Å; K144-Y147 PolarHBondContact O-N 3.21Å; K144-D148 PolarHBondContact O-N 3.35Å; K144-D148 VanDerWaalsContact O-N 3.08Å
145	W	48.1	Very low	47.3	Very low	112 Å²	112	104.4 Å²	104.4	42%	0.424	49%	0.493	S	S	.	.	H	α-helix	trans	-77.6	-30.8	-176.9	-154.9	82.2	0	0	0	113.5	K121 I125 E141 T142 D143 N149	K121-W145 HydrophobicContact CB-CH2 4.33Å; K121-W145 HydrophobicContact CB-CZ3 4.21Å; K121-W145 HydrophobicContact CD-CH2 3.71Å; K121-W145 HydrophobicContact CD-CZ3 3.99Å; K121-W145 HydrophobicContact CG-CH2 4.07Å; K121-W145 HydrophobicContact CG-CZ3 4.4Å; I125-W145 HydrophobicContact CD1-CE3 4.08Å; I125-W145 HydrophobicContact CD1-CZ3 4.08Å; E141-W145 VanDerWaalsContact O-CB 3.24Å; E141-W145 WeakPolarHBondContact O-CB 3.31Å; E141-W145 PolarHBondContact O-N 3.16Å; T142-W145 PolarHBondContact O-N 2.79Å; D143-W145 VanDerWaalsContact C-N 3.35Å; D143-W145 PolarHBondContact O-N 2.83Å; W145-N149 WeakPolarHBondContact CZ2-ND2 3.28Å; W145-N149 PolarHBondContact NE1-ND2 3.25Å; W145-N149 WeakPolarHBondContact O-CB 3.39Å; W145-N149 PolarHBondContact O-N 3Å; W145-N149 PolarHBondContact O-ND2 3.36Å
146	I	47.2	Very low	47	Very low	89 Å²	89	107 Å²	107	46%	0.456	50%	0.504	S	S	.	.	H	α-helix	trans	-60.8	-47.7	168.6	-72.3	164.4	0	0	0	108.8	T142 D143 I150	T142-I146 VanDerWaalsContact O-CB 3.31Å; T142-I146 WeakPolarHBondContact O-CB 3.36Å; T142-I146 WeakPolarHBondContact O-CD1 3.23Å; T142-I146 WeakPolarHBondContact O-CG1 3.35Å; T142-I146 PolarHBondContact O-N 2.84Å; D143-I146 PolarHBondContact O-N 2.8Å; I146-I150 HydrophobicContact CG2-CD1 3.66Å; I146-I150 HydrophobicContact CG2-CG1 4.43Å; I146-I150 WeakPolarHBondContact O-CB 3.28Å; I146-I150 VanDerWaalsContact O-CD1 3.27Å; I146-I150 WeakPolarHBondContact O-CD1 3.42Å; I146-I150 WeakPolarHBondContact O-CG1 3.2Å; I146-I150 PolarHBondContact O-N 3.38Å
147	Y	44.7	Very low	46.8	Very low	167 Å²	167	102 Å²	102	66%	0.655	48%	0.483	S	S	*	.	H	α-helix	trans	-62.9	-43.8	178.3	-79.4	-69.7	0	0	0	113.3	D143 K144	D143-Y147 WeakPolarHBondContact O-CD2 3.41Å; D143-Y147 PolarHBondContact O-N 2.73Å; K144-Y147 PolarHBondContact O-N 3.21Å
148	D	43.7	Very low	46.7	Very low	103 Å²	103	96 Å²	96	55%	0.551	47%	0.466	S	S	*	.	H	α-helix	trans	-73.7	-32.3	-178.1	-72.5	-19.1	0	0	0	113.1	K144	K144-D148 PolarHBondContact O-N 3.35Å; K144-D148 VanDerWaalsContact O-N 3.08Å
149	N	42.7	Very low	47.1	Very low	30 Å²	30	98.4 Å²	98.4	16%	0.16	47%	0.473	C	S	.	.	H	α-helix	trans	-85.7	-24	179.4	-79.4	-89.6	0	0	0	114.3	K121 W145 W151 A152 I153	K121-N149 PolarHBondContact NZ-OD1 3.11Å; W145-N149 WeakPolarHBondContact CZ2-ND2 3.28Å; W145-N149 PolarHBondContact NE1-ND2 3.25Å; W145-N149 WeakPolarHBondContact O-CB 3.39Å; W145-N149 PolarHBondContact O-N 3Å; W145-N149 PolarHBondContact O-ND2 3.36Å; N149-W151 PolarHBondContact O-N 3.48Å; N149-A152 PolarHBondContact O-N 3.34Å; N149-I153 HydrophobicContact CB-CD1 4.46Å; N149-I153 WeakPolarHBondContact O-CB 3.35Å; N149-I153 VanDerWaalsContact O-CG1 3.28Å; N149-I153 WeakPolarHBondContact O-CG1 3.5Å; N149-I153 PolarHBondContact O-N 3.47Å
150	I	43.3	Very low	47.6	Very low	94 Å²	94	93.8 Å²	93.8	48%	0.482	45%	0.452	S	S	.	.	H	α-helix	trans	-53.1	-37.6	168	-78.1	164.3	0	0	0	109.7	I146 R154	I146-I150 HydrophobicContact CG2-CD1 3.66Å; I146-I150 HydrophobicContact CG2-CG1 4.43Å; I146-I150 WeakPolarHBondContact O-CB 3.28Å; I146-I150 VanDerWaalsContact O-CD1 3.27Å; I146-I150 WeakPolarHBondContact O-CD1 3.42Å; I146-I150 WeakPolarHBondContact O-CG1 3.2Å; I146-I150 PolarHBondContact O-N 3.38Å; I150-R154 WeakPolarHBondContact O-CB 3.37Å; I150-R154 PolarHBondContact O-N 3.24Å
151	W	36.1	Very low	48.5	Very low	169 Å²	169	90.4 Å²	90.4	64%	0.64	44%	0.435	S	S	*	.	H	α-helix	trans	-68	-43.1	177.1	-89.7	95.8	0	0	0	114.6	N149 R154	N149-W151 PolarHBondContact O-N 3.48Å; W151-R154 WeakPolarHBondContact O-CB 3.38Å; W151-R154 PolarHBondContact O-N 3.35Å
152	A	39.8	Very low	49.5	Very low	65 Å²	65	86.6 Å²	86.6	54%	0.537	42%	0.421	S	S	.	.	H	α-helix	trans	-73.3	-34.4	-179.6	0	0	0	0	0	112.8	N149 R154	N149-A152 PolarHBondContact O-N 3.34Å; A152-R154 VanDerWaalsContact C-N 3.3Å
153	I	43.5	Very low	50.9	Low	46 Å²	46	85.2 Å²	85.2	24%	0.236	41%	0.412	C	S	.	.	H	α-helix	trans	-73.3	-27.2	175.9	-60.1	170.9	0	0	0	110.3	L114 N149 C155 V157 V158	L114-I153 HydrophobicContact CD1-CG2 3.43Å; L114-I153 VanDerWaalsContact CD1-CG2 3.43Å; N149-I153 HydrophobicContact CB-CD1 4.46Å; N149-I153 WeakPolarHBondContact O-CB 3.35Å; N149-I153 VanDerWaalsContact O-CG1 3.28Å; N149-I153 WeakPolarHBondContact O-CG1 3.5Å; N149-I153 PolarHBondContact O-N 3.47Å; I153-C155 PolarHBondContact O-N 2.93Å; I153-C155 VanDerWaalsContact O-N 3.11Å; I153-V157 HydrophobicContact CG2-CB 4.43Å; I153-V157 PolarHBondContact O-N 3.45Å; I153-V158 HydrophobicContact CG2-CG2 4.05Å; I153-V158 WeakPolarHBondContact O-CG2 3.39Å; I153-V158 PolarHBondContact O-N 2.81Å
154	R	42	Very low	52.2	Low	137 Å²	137	84.1 Å²	84.1	52%	0.517	41%	0.405	S	S	.	.	H	α-helix	trans	-49.3	-34.2	172.3	-143.1	175	-179.2	176.6	1.1	113.6	I150 W151 A152 V158	I150-R154 WeakPolarHBondContact O-CB 3.37Å; I150-R154 PolarHBondContact O-N 3.24Å; W151-R154 WeakPolarHBondContact O-CB 3.38Å; W151-R154 PolarHBondContact O-N 3.35Å; A152-R154 VanDerWaalsContact C-N 3.3Å; R154-V158 HydrophobicContact CG-CG1 4.41Å
155	C	42.1	Very low	53.8	Low	82 Å²	82	80.6 Å²	80.6	55%	0.554	39%	0.394	S	S	*	.	H	α-helix	trans	-88.1	-29.9	-169.2	-69.6	0	0	0	0	115.7	I153 K159	I153-C155 PolarHBondContact O-N 2.93Å; I153-C155 VanDerWaalsContact O-N 3.11Å; C155-K159 WeakPolarHBondContact O-CE 3.38Å; C155-K159 PolarHBondContact O-NZ 3.39Å
156	K	46	Very low	55.6	Low	178 Å²	178	75.3 Å²	75.3	77%	0.774	37%	0.373	S	S	*	.	H	α-helix	trans	-111.7	-37.4	-173.5	-77.6	-174.8	179.1	178.6	0	114.6
157	V	50.2	Low	57.3	Low	32 Å²	32	73.9 Å²	73.9	19%	0.194	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.7	-30.7	-167.5	-171.7	0	0	0	0	112.2	A110 L114 I153 K159 F160	A110-V157 WeakPolarHBondContact O-CG1 3.48Å; L114-V157 HydrophobicContact CB-CG1 3.44Å; L114-V157 VanDerWaalsContact CB-CG1 3.44Å; L114-V157 HydrophobicContact CD1-CB 4.17Å; L114-V157 HydrophobicContact CD1-CG1 3.74Å; L114-V157 HydrophobicContact CD2-CG1 4.42Å; L114-V157 HydrophobicContact CG-CG1 4.04Å; I153-V157 HydrophobicContact CG2-CB 4.43Å; I153-V157 PolarHBondContact O-N 3.45Å; V157-K159 PolarHBondContact O-N 2.84Å; V157-K159 VanDerWaalsContact O-N 3.12Å; V157-F160 PolarHBondContact O-N 2.94Å
158	V	55.1	Low	59.1	Low	50 Å²	50	66.3 Å²	66.3	30%	0.303	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-62.9	-16.9	172.6	175.1	0	0	0	0	112.4	I153 R154 F160 V161 P162	I153-V158 HydrophobicContact CG2-CG2 4.05Å; I153-V158 WeakPolarHBondContact O-CG2 3.39Å; I153-V158 PolarHBondContact O-N 2.81Å; R154-V158 HydrophobicContact CG-CG1 4.41Å; V158-F160 PolarHBondContact O-N 3.09Å; V158-V161 HydrophobicContact CB-CG2 4.49Å; V158-V161 HydrophobicContact CG1-CB 4.38Å; V158-V161 WeakPolarHBondContact O-CB 3.4Å; V158-V161 PolarHBondContact O-N 3.03Å; V158-P162 WeakPolarHBondContact O-CD 3.34Å
159	K	62.4	Low	61	Low	78 Å²	78	67.6 Å²	67.6	34%	0.339	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-59	-29.6	178	-71.4	-179.7	171.7	170.5	0	114.3	C155 V157 V193 P194	C155-K159 WeakPolarHBondContact O-CE 3.38Å; C155-K159 PolarHBondContact O-NZ 3.39Å; V157-K159 PolarHBondContact O-N 2.84Å; V157-K159 VanDerWaalsContact O-N 3.12Å; K159-V193 HydrophobicContact CB-CG1 3.92Å; K159-V193 VanDerWaalsContact O-CG2 3.25Å; K159-V193 WeakPolarHBondContact O-CG2 3.27Å; K159-P194 HydrophobicContact CD-CG 4.28Å
160	F	64.9	Low	62.9	Low	17 Å²	17	72.5 Å²	72.5	8%	0.075	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-94.2	-7.8	175.9	-75.3	-86.9	0	0	0	113.5	L106 S107 A110 V157 V158 I163 I164 V193	L106-F160 HydrophobicContact CD2-CD2 4.29Å; L106-F160 HydrophobicContact CD2-CE1 3.86Å; L106-F160 HydrophobicContact CD2-CE2 3.24Å; L106-F160 HydrophobicContact CD2-CZ 3Å; L106-F160 HydrophobicContact CG-CZ 4.46Å; S107-F160 VanDerWaalsContact CB-CD1 3.42Å; A110-F160 HydrophobicContact CB-CB 4.19Å; A110-F160 HydrophobicContact CB-CD2 3.82Å; A110-F160 HydrophobicContact CB-CG 4.12Å; V157-F160 PolarHBondContact O-N 2.94Å; V158-F160 PolarHBondContact O-N 3.09Å; F160-I163 HydrophobicContact CD1-CD1 3.52Å; F160-I163 HydrophobicContact CE1-CD1 3.77Å; F160-I163 WeakPolarHBondContact O-CB 3.44Å; F160-I163 PolarHBondContact O-N 2.75Å; F160-I164 PolarHBondContact O-N 3.49Å; F160-V193 HydrophobicContact CD2-CG1 4.29Å; F160-V193 HydrophobicContact CE1-CG1 4.21Å; F160-V193 HydrophobicContact CE2-CG1 3.64Å; F160-V193 HydrophobicContact CZ-CB 4.43Å; F160-V193 HydrophobicContact CZ-CG1 3.54Å
161	V	70.5	Confident	64.7	Low	52 Å²	52	70 Å²	70	32%	0.315	35%	0.352	S	S	.	.	H	α-helix	trans	-62.1	-41.6	176.8	173.9	0	0	0	0	111.7	L114 V158 I163 I164 D165	L114-V161 HydrophobicContact CD2-CG2 3.86Å; V158-V161 HydrophobicContact CB-CG2 4.49Å; V158-V161 HydrophobicContact CG1-CB 4.38Å; V158-V161 WeakPolarHBondContact O-CB 3.4Å; V158-V161 PolarHBondContact O-N 3.03Å; V161-I163 PolarHBondContact O-N 3.14Å; V161-I164 PolarHBondContact O-N 2.78Å; V161-D165 WeakPolarHBondContact O-CB 3.37Å; V161-D165 PolarHBondContact O-N 2.85Å
162	P	73.9	Confident	66.9	Low	38 Å²	38	67.2 Å²	67.2	25%	0.247	36%	0.359	C	S	.	.	H	α-helix	trans	-58	-32.4	173.4	-27.5	34.1	0	0	0	114.2	V158 D165 A166 L191	V158-P162 WeakPolarHBondContact O-CD 3.34Å; P162-D165 PolarHBondContact O-N 2.89Å; P162-A166 VanDerWaalsContact O-CB 3.3Å; P162-A166 WeakPolarHBondContact O-CB 3.48Å; P162-A166 PolarHBondContact O-N 3.34Å; P162-L191 HydrophobicContact CB-CD1 4.24Å; P162-L191 HydrophobicContact CB-CD2 3.37Å; P162-L191 HydrophobicContact CB-CG 4.46Å; P162-L191 HydrophobicContact CG-CD2 4.47Å
163	I	78.6	Confident	68.9	Low	6 Å²	6	65.3 Å²	65.3	3%	0.031	35%	0.345	C	S	.	.	H	α-helix	trans	-62.7	-46.3	174.8	-69.8	170.5	0	0	0	109.4	F160 V161 F167 L191 V193 C253	F160-I163 HydrophobicContact CD1-CD1 3.52Å; F160-I163 HydrophobicContact CE1-CD1 3.77Å; F160-I163 WeakPolarHBondContact O-CB 3.44Å; F160-I163 PolarHBondContact O-N 2.75Å; V161-I163 PolarHBondContact O-N 3.14Å; I163-F167 HydrophobicContact CG2-CE2 4.06Å; I163-F167 WeakPolarHBondContact O-CD2 3.27Å; I163-F167 VanDerWaalsContact O-CE2 3.27Å; I163-F167 WeakPolarHBondContact O-CE2 3.44Å; I163-L191 HydrophobicContact CB-CD1 4.14Å; I163-L191 HydrophobicContact CG1-CD1 3.44Å; I163-L191 VanDerWaalsContact CG1-CD1 3.44Å; I163-V193 HydrophobicContact CD1-CG2 4.16Å; I163-C253 HydrophobicContact CG2-CB 4.28Å; I163-C253 WeakPolarHBondContact CG2-O 3.31Å; I163-C253 WeakPolarHBondContact O-CB 3.48Å
164	I	75.8	Confident	70.5	Confident	75 Å²	75	66.2 Å²	66.2	39%	0.385	35%	0.353	S	S	.	.	H	α-helix	trans	-71.5	-39.4	178.6	-60.6	162.8	0	0	0	111.8	V111 F160 V161 A166 F167	V111-I164 HydrophobicContact CB-CD1 4.25Å; V111-I164 HydrophobicContact CG1-CD1 4.02Å; V111-I164 HydrophobicContact CG2-CD1 3.17Å; V111-I164 HydrophobicContact CG2-CG1 4.23Å; F160-I164 PolarHBondContact O-N 3.49Å; V161-I164 PolarHBondContact O-N 2.78Å; I164-A166 PolarHBondContact O-N 3.34Å; I164-F167 VanDerWaalsContact O-CB 3.3Å; I164-F167 WeakPolarHBondContact O-CB 3.43Å; I164-F167 PolarHBondContact O-N 3.36Å
165	D	78.9	Confident	72.1	Confident	73 Å²	73	67.2 Å²	67.2	39%	0.39	37%	0.368	S	S	.	.	H	α-helix	trans	-62.5	-32.6	-178.9	-161.3	38.3	0	0	0	111.1	V161 P162 F167 K169	V161-D165 WeakPolarHBondContact O-CB 3.37Å; V161-D165 PolarHBondContact O-N 2.85Å; P162-D165 PolarHBondContact O-N 2.89Å; D165-F167 PolarHBondContact O-N 3.18Å; D165-K169 IonicContact OD1-NZ 2.93Å; D165-K169 PolarHBondContact OD1-NZ 3.28Å
166	A	85.4	Confident	73.7	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-7.7	174.1	0	0	0	0	0	114.9	P162 I164 G183 S184 E187 C188 C253	P162-A166 VanDerWaalsContact O-CB 3.3Å; P162-A166 WeakPolarHBondContact O-CB 3.48Å; P162-A166 PolarHBondContact O-N 3.34Å; I164-A166 PolarHBondContact O-N 3.34Å; A166-G183 WeakPolarHBondContact O-CA 3.37Å; A166-S184 PolarHBondContact O-N 2.83Å; A166-E187 HydrophobicContact CB-CB 4.3Å; A166-E187 HydrophobicContact CB-CG 4.31Å; A166-C188 HydrophobicContact CB-CB 3.94Å; A166-C253 HydrophobicContact CB-CB 3.88Å
167	F	84.7	Confident	75	Confident	59 Å²	59	59.8 Å²	59.8	26%	0.259	34%	0.335	S	S	.	.	S	Bend	trans	-67.1	151.9	176	-80.2	-138.9	0	0	0	110.8	I163 I164 D165 K169 W250 I252 C253	I163-F167 HydrophobicContact CG2-CE2 4.06Å; I163-F167 WeakPolarHBondContact O-CD2 3.27Å; I163-F167 VanDerWaalsContact O-CE2 3.27Å; I163-F167 WeakPolarHBondContact O-CE2 3.44Å; I164-F167 VanDerWaalsContact O-CB 3.3Å; I164-F167 WeakPolarHBondContact O-CB 3.43Å; I164-F167 PolarHBondContact O-N 3.36Å; D165-F167 PolarHBondContact O-N 3.18Å; F167-K169 PolarHBondContact O-N 3.22Å; F167-K169 VanDerWaalsContact O-N 3.08Å; F167-W250 HydrophobicContact CD1-CZ2 4.08Å; F167-I252 HydrophobicContact CD1-CB 4.22Å; F167-I252 HydrophobicContact CD1-CG2 3.93Å; F167-I252 HydrophobicContact CE1-CB 4.04Å; F167-I252 HydrophobicContact CE1-CG2 3.98Å; F167-I252 HydrophobicContact CZ-CB 4.29Å; F167-C253 HydrophobicContact CD2-CB 4.07Å; F167-C253 HydrophobicContact CE2-CB 4.06Å; F167-C253 WeakPolarHBondContact CE2-O 3.33Å; F167-C253 WeakPolarHBondContact CZ-O 3.39Å
168	G	82.6	Confident	76.5	Confident	8 Å²	8	58.7 Å²	58.7	8%	0.082	33%	0.328	C	S	.	.			trans	-57.3	112.6	167.6	0	0	0	0	0	111.1	F181 G183 W250 G251	G168-F181 WeakPolarHBondContact CA-O 3.49Å; G168-G183 VanDerWaalsContact CA-CA 3.46Å; G168-W250 PolarHBondContact O-NE1 3.18Å; G168-G251 WeakPolarHBondContact CA-O 3.27Å; G168-G251 PolarHBondContact N-O 3.5Å
169	K	83.5	Confident	77.7	Confident	131 Å²	131	58.2 Å²	58.2	57%	0.57	32%	0.324	S	S	*	.			trans	-86.9	157.6	168.5	-63.5	170.2	-171.9	167	0	108.7	D165 F167 P171	D165-K169 IonicContact OD1-NZ 2.93Å; D165-K169 PolarHBondContact OD1-NZ 3.28Å; F167-K169 PolarHBondContact O-N 3.22Å; F167-K169 VanDerWaalsContact O-N 3.08Å; K169-P171 WeakPolarHBondContact O-CD 3.49Å; K169-P171 VanDerWaalsContact O-N 3.16Å
170	I	82.1	Confident	78.5	Confident	133 Å²	133	55.4 Å²	55.4	68%	0.682	31%	0.313	S	S	*	.			trans	-63.4	115.6	173.4	-61.3	165.9	0	0	0	107.9	V174 F181	I170-V174 HydrophobicContact CG2-CG2 3.74Å; I170-F181 HydrophobicContact CG1-CE2 3.98Å; I170-F181 HydrophobicContact CG1-CZ 4.32Å; I170-F181 HydrophobicContact CG2-CZ 4.3Å
171	P	80.7	Confident	79.5	Confident	42 Å²	42	55.5 Å²	55.5	27%	0.273	31%	0.313	S	S	.	.			trans	-79	171	176.9	36.1	-35.1	0	0	0	110.5	K169 V174 N178 F181	K169-P171 WeakPolarHBondContact O-CD 3.49Å; K169-P171 VanDerWaalsContact O-N 3.16Å; P171-V174 WeakPolarHBondContact O-CG2 3.48Å; P171-N178 WeakPolarHBondContact CB-ND2 3.08Å; P171-N178 HydrophobicContact CG-CB 4.36Å; P171-N178 WeakPolarHBondContact CG-ND2 3.41Å; P171-F181 HydrophobicContact CG-CD1 3.55Å; P171-F181 HydrophobicContact CG-CE1 3.72Å
172	S	83	Confident	80	Confident	110 Å²	110	55.2 Å²	55.2	77%	0.769	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	159.9	167.1	-59.1	0	0	0	0	111	N178	S172-N178 PolarHBondContact O-ND2 3.1Å
173	G	80.1	Confident	80.5	Confident	25 Å²	25	54.8 Å²	54.8	26%	0.258	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.7	16.4	175	0	0	0	0	0	115.2	L175 D176 G177 N178	G173-L175 PolarHBondContact O-N 3.36Å; G173-D176 CarbonylContact O-C 3.48Å; G173-D176 WeakPolarHBondContact O-CA 3.45Å; G173-D176 WeakPolarHBondContact O-CB 3.29Å; G173-D176 PolarHBondContact O-N 3.43Å; G173-G177 PolarHBondContact O-N 3.33Å; G173-N178 VanDerWaalsContact O-CB 3.29Å; G173-N178 WeakPolarHBondContact O-CB 3.46Å; G173-N178 PolarHBondContact O-N 3.41Å
174	V	77.8	Confident	80.8	Confident	64 Å²	64	56.6 Å²	56.6	39%	0.388	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-55.2	-34.6	174.6	-179.7	0	0	0	0	111.8	I170 P171 D176 G177 L179	I170-V174 HydrophobicContact CG2-CG2 3.74Å; P171-V174 WeakPolarHBondContact O-CG2 3.48Å; V174-D176 VanDerWaalsContact C-N 3.31Å; V174-G177 PolarHBondContact O-N 3.39Å; V174-L179 HydrophobicContact CG1-CD2 4.41Å
175	L	75.8	Confident	81.2	Confident	159 Å²	159	56.1 Å²	56.1	83%	0.832	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-72.5	-22.1	175	-64.8	179.4	0	0	0	113.7	G173 G177	G173-L175 PolarHBondContact O-N 3.36Å; L175-G177 VanDerWaalsContact C-N 3.26Å
176	D	74.8	Confident	81.3	Confident	83 Å²	83	54.2 Å²	54.2	44%	0.444	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-87.7	3.6	173.8	-57.4	-41.5	0	0	0	111.9	G173 V174 N410 A411 L412 V413	G173-D176 CarbonylContact O-C 3.48Å; G173-D176 WeakPolarHBondContact O-CA 3.45Å; G173-D176 WeakPolarHBondContact O-CB 3.29Å; G173-D176 PolarHBondContact O-N 3.43Å; V174-D176 VanDerWaalsContact C-N 3.31Å; D176-N410 CarbonylContact O-C 3.52Å; D176-N410 VanDerWaalsContact O-C 3.24Å; D176-N410 WeakPolarHBondContact O-CA 3.28Å; D176-A411 PolarHBondContact O-N 2.93Å; D176-L412 VanDerWaalsContact O-CB 3.23Å; D176-L412 WeakPolarHBondContact O-CB 3.27Å; D176-L412 PolarHBondContact O-N 2.91Å; D176-V413 HydrophobicContact CB-CG2 4.44Å
177	G	74.5	Confident	81.2	Confident	20 Å²	20	57.1 Å²	57.1	21%	0.206	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	98	13.5	179.5	0	0	0	0	0	115.2	G173 V174 L175 L179	G173-G177 PolarHBondContact O-N 3.33Å; V174-G177 PolarHBondContact O-N 3.39Å; L175-G177 VanDerWaalsContact C-N 3.26Å; G177-L179 PolarHBondContact O-N 3.37Å
178	N	80.8	Confident	81.3	Confident	9 Å²	9	54.3 Å²	54.3	5%	0.048	31%	0.314	C	S	.	.			trans	-71.9	93.8	176.2	-161	-8.9	0	0	0	111.3	P171 S172 G173 I180 F181 D409	P171-N178 WeakPolarHBondContact CB-ND2 3.08Å; P171-N178 HydrophobicContact CG-CB 4.36Å; P171-N178 WeakPolarHBondContact CG-ND2 3.41Å; S172-N178 PolarHBondContact O-ND2 3.1Å; G173-N178 VanDerWaalsContact O-CB 3.29Å; G173-N178 WeakPolarHBondContact O-CB 3.46Å; G173-N178 PolarHBondContact O-N 3.41Å; N178-I180 PolarHBondContact OD1-N 2.89Å; N178-I180 PolarHBondContact OD1-O 3.06Å; N178-F181 WeakPolarHBondContact O-CE1 3.44Å; N178-D409 WeakPolarHBondContact CA-O 3.44Å; N178-D409 HydrophobicContact CB-CB 4.43Å; N178-D409 WeakPolarHBondContact CB-O 3.13Å; N178-D409 PolarHBondContact N-O 2.76Å; N178-D409 VanDerWaalsContact N-O 3.11Å
179	L	79.8	Confident	81.3	Confident	41 Å²	41	56.8 Å²	56.8	22%	0.215	33%	0.328	C	S	.	.			trans	-111.6	18.9	177.7	-62.9	174.1	0	0	0	112.3	V174 G177 P246 F248 R249	V174-L179 HydrophobicContact CG1-CD2 4.41Å; G177-L179 PolarHBondContact O-N 3.37Å; L179-P246 HydrophobicContact CD1-CB 3.83Å; L179-P246 HydrophobicContact CD1-CG 4.13Å; L179-F248 WeakPolarHBondContact O-CA 3.21Å; L179-R249 PolarHBondContact O-N 2.88Å
180	I	80.8	Confident	81.2	Confident	19 Å²	19	58.5 Å²	58.5	10%	0.097	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	104.8	-176.8	-58.7	175.9	0	0	0	109.2	N178 L182 R249 T729	N178-I180 PolarHBondContact OD1-N 2.89Å; N178-I180 PolarHBondContact OD1-O 3.06Å; I180-L182 HydrophobicContact CG2-CD1 4.26Å; I180-L182 HydrophobicContact CG2-CD2 3.72Å; I180-L182 HydrophobicContact CG2-CG 3.7Å; I180-R249 CarbonylContact C-O 3.55Å; I180-R249 HydrophobicContact CG1-CB 4.37Å; I180-R249 HydrophobicContact CG2-CB 4.24Å; I180-T729 HydrophobicContact CB-CG2 3.74Å; I180-T729 HydrophobicContact CD1-CG2 4.43Å; I180-T729 HydrophobicContact CG2-CG2 3.6Å
181	F	84.7	Confident	81.2	Confident	18 Å²	18	53.1 Å²	53.1	8%	0.079	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	76.7	-175.4	-53.9	-11.7	0	0	0	109.1	G168 I170 P171 N178 G183 F248 R249 W250 G251	G168-F181 WeakPolarHBondContact CA-O 3.49Å; I170-F181 HydrophobicContact CG1-CE2 3.98Å; I170-F181 HydrophobicContact CG1-CZ 4.32Å; I170-F181 HydrophobicContact CG2-CZ 4.3Å; P171-F181 HydrophobicContact CG-CD1 3.55Å; P171-F181 HydrophobicContact CG-CE1 3.72Å; N178-F181 WeakPolarHBondContact O-CE1 3.44Å; F181-G183 PolarHBondContact O-N 3.27Å; F181-F248 AromaticContact CD2-CE2 3.64Å; F181-F248 HydrophobicContact CD2-CE2 3.64Å; F181-F248 AromaticContact CD2-CZ 3.55Å; F181-F248 HydrophobicContact CD2-CZ 3.55Å; F181-F248 HydrophobicContact CE2-CD2 4.29Å; F181-F248 AromaticContact CE2-CE2 3.16Å; F181-F248 HydrophobicContact CE2-CE2 3.16Å; F181-F248 AromaticContact CE2-CZ 3.46Å; F181-F248 HydrophobicContact CE2-CZ 3.46Å; F181-F248 VanDerWaalsContact CE2-CZ 3.46Å; F181-F248 HydrophobicContact CZ-CD2 4.49Å; F181-F248 AromaticContact CZ-CE2 3.67Å; F181-F248 HydrophobicContact CZ-CE2 3.67Å; F181-F248 HydrophobicContact CZ-CZ 4.4Å; F181-R249 PolarHBondContact N-O 3.07Å; F181-W250 CarbonylContact O-C 3.54Å; F181-W250 WeakPolarHBondContact O-CA 3.46Å; F181-G251 PolarHBondContact O-N 3Å
182	L	81.8	Confident	81	Confident	46 Å²	46	58.1 Å²	58.1	24%	0.241	33%	0.328	C	S	.	.			trans	-72.1	-26.8	-169.9	-63.7	174.3	0	0	0	115.1	I180 G251 R727	I180-L182 HydrophobicContact CG2-CD1 4.26Å; I180-L182 HydrophobicContact CG2-CD2 3.72Å; I180-L182 HydrophobicContact CG2-CG 3.7Å; L182-G251 WeakPolarHBondContact O-CA 3.46Å; L182-R727 WeakPolarHBondContact CD1-O 3.2Å
183	G	83.7	Confident	80.5	Confident	29 Å²	29	53.2 Å²	53.2	30%	0.299	29%	0.293	S	S	.	.			trans	70.8	-166.5	-172.9	0	0	0	0	0	112.6	A166 G168 F181	A166-G183 WeakPolarHBondContact O-CA 3.37Å; G168-G183 VanDerWaalsContact CA-CA 3.46Å; F181-G183 PolarHBondContact O-N 3.27Å
184	S	85	Confident	79.9	Confident	44 Å²	44	54.4 Å²	54.4	31%	0.308	30%	0.296	S	S	.	.			trans	-99.1	91.6	-175.5	-173	0	0	0	0	111.1	A166 A186 E187 C188	A166-S184 PolarHBondContact O-N 2.83Å; S184-A186 VanDerWaalsContact C-N 3.34Å; S184-A186 PolarHBondContact O-N 2.88Å; S184-E187 PolarHBondContact O-N 2.9Å; S184-E187 WeakPolarHBondContact OG-CB 3.32Å; S184-E187 PolarHBondContact OG-OE2 3.13Å; S184-C188 PolarHBondContact O-N 3.13Å
185	Y	83.7	Confident	79	Confident	66 Å²	66	54.7 Å²	54.7	26%	0.259	29%	0.29	S	S	.	.	H	α-helix	trans	-56.6	-45.7	178.5	176.9	-89.3	0	0	0	112.8	E187 C188 T189 N212	Y185-E187 VanDerWaalsContact C-N 3.32Å; Y185-E187 PolarHBondContact O-N 3.44Å; Y185-C188 PolarHBondContact O-N 3.48Å; Y185-T189 HydrophobicContact CD1-CG2 4.42Å; Y185-T189 HydrophobicContact CD2-CG2 4.46Å; Y185-T189 HydrophobicContact CE1-CG2 3.97Å; Y185-T189 HydrophobicContact CE2-CG2 4.04Å; Y185-T189 PolarHBondContact O-N 3.42Å; Y185-T189 VanDerWaalsContact O-N 3.1Å; Y185-T189 PolarHBondContact O-OG1 3.19Å; Y185-N212 HydrophobicContact CD2-CB 3.9Å; Y185-N212 HydrophobicContact CE2-CB 4.21Å
186	A	82.8	Confident	77.9	Confident	32 Å²	32	52.3 Å²	52.3	26%	0.264	29%	0.287	S	S	.	.	H	α-helix	trans	-70.6	-29.8	-175	0	0	0	0	0	112.8	S184 K190	S184-A186 VanDerWaalsContact C-N 3.34Å; S184-A186 PolarHBondContact O-N 2.88Å; A186-K190 WeakPolarHBondContact O-CB 3.43Å; A186-K190 WeakPolarHBondContact O-CD 3.14Å; A186-K190 VanDerWaalsContact O-CG 3.31Å; A186-K190 WeakPolarHBondContact O-CG 3.29Å
187	E	83.5	Confident	76.6	Confident	61 Å²	61	52.7 Å²	52.7	29%	0.285	28%	0.284	S	S	.	.	H	α-helix	trans	-72.5	-52	173.3	-174	171.5	-176.2	0	0	109.7	A166 S184 Y185 T189 K190 L191	A166-E187 HydrophobicContact CB-CB 4.3Å; A166-E187 HydrophobicContact CB-CG 4.31Å; S184-E187 PolarHBondContact O-N 2.9Å; S184-E187 WeakPolarHBondContact OG-CB 3.32Å; S184-E187 PolarHBondContact OG-OE2 3.13Å; Y185-E187 VanDerWaalsContact C-N 3.32Å; Y185-E187 PolarHBondContact O-N 3.44Å; E187-T189 PolarHBondContact O-N 3.41Å; E187-K190 PolarHBondContact O-N 3.1Å; E187-K190 VanDerWaalsContact O-N 3.12Å; E187-L191 HydrophobicContact CG-CD2 4.22Å; E187-L191 WeakPolarHBondContact O-CD2 3.22Å; E187-L191 WeakPolarHBondContact O-CG 3.45Å; E187-L191 PolarHBondContact O-N 3.47Å
188	C	85.5	Confident	75	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-54.6	-46.7	-178.1	-174.1	0	0	0	0	113.4	A166 S184 Y185 K190 L191 G210 R211 C253	A166-C188 HydrophobicContact CB-CB 3.94Å; S184-C188 PolarHBondContact O-N 3.13Å; Y185-C188 PolarHBondContact O-N 3.48Å; C188-K190 VanDerWaalsContact C-N 3.32Å; C188-K190 PolarHBondContact O-N 3.35Å; C188-L191 WeakPolarHBondContact O-CB 3.47Å; C188-L191 WeakPolarHBondContact O-CG 3.3Å; C188-L191 PolarHBondContact O-N 3.44Å; C188-G210 CarbonylContact O-C 3.56Å; C188-G210 VanDerWaalsContact O-CA 3.28Å; C188-G210 WeakPolarHBondContact O-CA 3.42Å; C188-R211 PolarHBondContact SG-O 3.34Å; C188-C253 WeakPolarHBondContact CA-SG 3.21Å; C188-C253 HydrophobicContact CB-CB 3.8Å; C188-C253 WeakPolarHBondContact CB-SG 3.34Å; C188-C253 WeakPolarHBondContact SG-CA 3.18Å; C188-C253 WeakPolarHBondContact SG-CB 3.28Å; C188-C253 CovalentContact SG-SG 2.04Å; C188-C253 PolarHBondContact SG-SG 2.81Å
189	T	83.2	Confident	73.2	Confident	60 Å²	60	63.2 Å²	63.2	37%	0.368	35%	0.351	S	S	.	.	H	α-helix	trans	-72.5	-21.4	-177.7	49.1	0	0	0	0	114	Y185 E187	Y185-T189 HydrophobicContact CD1-CG2 4.42Å; Y185-T189 HydrophobicContact CD2-CG2 4.46Å; Y185-T189 HydrophobicContact CE1-CG2 3.97Å; Y185-T189 HydrophobicContact CE2-CG2 4.04Å; Y185-T189 PolarHBondContact O-N 3.42Å; Y185-T189 VanDerWaalsContact O-N 3.1Å; Y185-T189 PolarHBondContact O-OG1 3.19Å; E187-T189 PolarHBondContact O-N 3.41Å
190	K	81.5	Confident	71.6	Confident	167 Å²	167	66.1 Å²	66.1	73%	0.726	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	0.6	175.8	-70.8	-179.2	-178.3	-180	0	113	A186 E187 C188 E192	A186-K190 WeakPolarHBondContact O-CB 3.43Å; A186-K190 WeakPolarHBondContact O-CD 3.14Å; A186-K190 VanDerWaalsContact O-CG 3.31Å; A186-K190 WeakPolarHBondContact O-CG 3.29Å; E187-K190 PolarHBondContact O-N 3.1Å; E187-K190 VanDerWaalsContact O-N 3.12Å; C188-K190 VanDerWaalsContact C-N 3.32Å; C188-K190 PolarHBondContact O-N 3.35Å; K190-E192 PolarHBondContact O-N 2.96Å
191	L	81	Confident	69.5	Low	20 Å²	20	72.8 Å²	72.8	11%	0.105	41%	0.405	C	S	.	.			trans	-70.3	123.1	-177.2	-63.1	-176.9	0	0	0	110.8	P162 I163 E187 C188 G209 G210	P162-L191 HydrophobicContact CB-CD1 4.24Å; P162-L191 HydrophobicContact CB-CD2 3.37Å; P162-L191 HydrophobicContact CB-CG 4.46Å; P162-L191 HydrophobicContact CG-CD2 4.47Å; I163-L191 HydrophobicContact CB-CD1 4.14Å; I163-L191 HydrophobicContact CG1-CD1 3.44Å; I163-L191 VanDerWaalsContact CG1-CD1 3.44Å; E187-L191 HydrophobicContact CG-CD2 4.22Å; E187-L191 WeakPolarHBondContact O-CD2 3.22Å; E187-L191 WeakPolarHBondContact O-CG 3.45Å; E187-L191 PolarHBondContact O-N 3.47Å; C188-L191 WeakPolarHBondContact O-CB 3.47Å; C188-L191 WeakPolarHBondContact O-CG 3.3Å; C188-L191 PolarHBondContact O-N 3.44Å; L191-G209 VanDerWaalsContact O-CA 3.3Å; L191-G209 WeakPolarHBondContact O-CA 3.25Å; L191-G210 PolarHBondContact O-N 3.15Å
192	E	78.1	Confident	67.3	Low	147 Å²	147	80.3 Å²	80.3	69%	0.687	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.4	98.7	170.8	-72.5	-175.4	-175.7	0	0	108.3	K190 P194 I207	K190-E192 PolarHBondContact O-N 2.96Å; E192-P194 WeakPolarHBondContact O-CD 3.43Å; E192-I207 HydrophobicContact CB-CG2 3.53Å; E192-I207 HydrophobicContact CG-CG2 3.88Å
193	V	72.7	Confident	65.3	Low	7 Å²	7	87.7 Å²	87.7	4%	0.042	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	107.9	179.5	179.8	0	0	0	0	109.8	K159 F160 I163 R195 V208	K159-V193 HydrophobicContact CB-CG1 3.92Å; K159-V193 VanDerWaalsContact O-CG2 3.25Å; K159-V193 WeakPolarHBondContact O-CG2 3.27Å; F160-V193 HydrophobicContact CD2-CG1 4.29Å; F160-V193 HydrophobicContact CE1-CG1 4.21Å; F160-V193 HydrophobicContact CE2-CG1 3.64Å; F160-V193 HydrophobicContact CZ-CB 4.43Å; F160-V193 HydrophobicContact CZ-CG1 3.54Å; I163-V193 HydrophobicContact CD1-CG2 4.16Å; V193-R195 PolarHBondContact O-N 3.1Å; V193-V208 HydrophobicContact CB-CB 4.3Å; V193-V208 PolarHBondContact N-O 3.34Å; V193-V208 PolarHBondContact O-N 3.5Å
194	P	65.8	Low	63.2	Low	50 Å²	50	88.1 Å²	88.1	33%	0.325	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	125.3	177.7	24.8	-32.2	0	0	0	111	K159 E192 S196	K159-P194 HydrophobicContact CD-CG 4.28Å; E192-P194 WeakPolarHBondContact O-CD 3.43Å; P194-S196 PolarHBondContact O-N 3.44Å
195	R	58.6	Low	61.3	Low	71 Å²	71	91.3 Å²	91.3	27%	0.268	50%	0.496	S	S	.	.			trans	-59.6	124.9	168.2	-91.8	-173.9	179.3	152.2	-4.6	109.2	D103 V193 K197 D206 V208	D103-R195 IonicContact OD1-CZ 3.74Å; D103-R195 IonicContact OD1-NE 3.72Å; D103-R195 PolarHBondContact OD1-NE 3.06Å; D103-R195 IonicContact OD1-NH2 3.21Å; D103-R195 PolarHBondContact OD1-NH2 3.33Å; D103-R195 IonicContact OD2-NH2 3.88Å; D103-R195 PolarHBondContact OD2-NH2 3.33Å; V193-R195 PolarHBondContact O-N 3.1Å; R195-K197 PolarHBondContact O-N 3.23Å; R195-D206 HydrophobicContact CB-CB 3.86Å; R195-D206 WeakPolarHBondContact CB-O 3.45Å; R195-D206 HydrophobicContact CG-CB 4.13Å; R195-D206 IonicContact CZ-OD2 2.78Å; R195-D206 PolarHBondContact N-O 3.43Å; R195-D206 IonicContact NH1-OD2 2.73Å; R195-D206 PolarHBondContact NH1-OD2 3.47Å; R195-V208 HydrophobicContact CG-CG2 3.93Å
196	S	54.2	Low	60.4	Low	108 Å²	108	92.3 Å²	92.3	76%	0.755	51%	0.506	S	S	*	.			trans	-76.5	108.6	165.9	-177.5	0	0	0	0	108.3	P194 T198	P194-S196 PolarHBondContact O-N 3.44Å; S196-T198 PolarHBondContact O-N 3.45Å
197	K	46.4	Very low	59.8	Low	91 Å²	91	94.8 Å²	94.8	40%	0.396	51%	0.513	S	S	.	.			trans	-62	131.5	174.7	-69.8	-176.2	167.3	176.1	0	111	R195 S199 Q201 E202 G204	R195-K197 PolarHBondContact O-N 3.23Å; K197-S199 VanDerWaalsContact C-N 3.29Å; K197-S199 PolarHBondContact O-N 3.01Å; K197-Q201 WeakPolarHBondContact CD-O 3.34Å; K197-Q201 VanDerWaalsContact CE-O 3.29Å; K197-Q201 WeakPolarHBondContact CE-O 3.44Å; K197-Q201 PolarHBondContact NZ-O 3.23Å; K197-E202 PolarHBondContact NZ-O 3.38Å; K197-G204 WeakPolarHBondContact CE-O 3.45Å; K197-G204 PolarHBondContact NZ-O 3.15Å
198	T	41.7	Very low	59.4	Low	128 Å²	128	92.1 Å²	92.1	79%	0.785	50%	0.501	S	S	*	.			trans	-72.6	86.9	158.1	40.6	0	0	0	0	108.7	S196 S200	S196-T198 PolarHBondContact O-N 3.45Å; T198-S200 VanDerWaalsContact C-N 3.31Å; T198-S200 PolarHBondContact O-N 2.96Å; T198-S200 PolarHBondContact O-OG 2.86Å
199	S	43.3	Very low	59.3	Low	123 Å²	123	93.1 Å²	93.1	86%	0.86	51%	0.512	S	S	*	.	S	Bend	trans	39.8	13.4	159.2	84.6	0	0	0	0	122.7	K197	K197-S199 VanDerWaalsContact C-N 3.29Å; K197-S199 PolarHBondContact O-N 3.01Å
200	S	44.9	Very low	59.3	Low	102 Å²	102	90.9 Å²	90.9	71%	0.713	50%	0.5	S	S	*	.			trans	-147.8	13.7	-173.6	56.4	0	0	0	0	119.4	T198	T198-S200 VanDerWaalsContact C-N 3.31Å; T198-S200 PolarHBondContact O-N 2.96Å; T198-S200 PolarHBondContact O-OG 2.86Å
201	Q	38.2	Very low	59.6	Low	159 Å²	159	84.9 Å²	84.9	74%	0.743	47%	0.473	S	S	*	.			trans	-133.6	130.8	169.5	-73.4	-169.4	-13.1	0	0	112.9	K197	K197-Q201 WeakPolarHBondContact CD-O 3.34Å; K197-Q201 VanDerWaalsContact CE-O 3.29Å; K197-Q201 WeakPolarHBondContact CE-O 3.44Å; K197-Q201 PolarHBondContact NZ-O 3.23Å
202	E	37.5	Very low	59.8	Low	176 Å²	176	84.7 Å²	84.7	82%	0.822	47%	0.472	S	S	*	.			trans	-73.3	152.4	-171.8	-68.5	169	138.7	0	0	113.3	K197 G204	K197-E202 PolarHBondContact NZ-O 3.38Å; E202-G204 PolarHBondContact O-N 2.95Å
203	H	40.7	Very low	60.1	Low	200 Å²	200	77.7 Å²	77.7	93%	0.926	44%	0.44	S	S	*	.	S	Bend	trans	56.7	30.7	149.1	-76.6	75.3	0	0	0	123.3
204	G	38.5	Very low	60.6	Low	39 Å²	39	78.8 Å²	78.8	40%	0.402	45%	0.446	S	S	.	.			trans	-147.7	126.8	162.2	0	0	0	0	0	111.4	K197 E202 D206	K197-G204 WeakPolarHBondContact CE-O 3.45Å; K197-G204 PolarHBondContact NZ-O 3.15Å; E202-G204 PolarHBondContact O-N 2.95Å; G204-D206 PolarHBondContact O-N 3.26Å
205	T	46	Very low	61.3	Low	110 Å²	110	76.7 Å²	76.7	68%	0.675	43%	0.432	S	S	*	.			trans	-75.1	99.7	164.4	46.9	0	0	0	0	107.1	I207	T205-I207 PolarHBondContact O-N 3.45Å; T205-I207 VanDerWaalsContact O-N 3.16Å
206	D	63.6	Low	62	Low	88 Å²	88	74.3 Å²	74.3	47%	0.471	42%	0.424	S	S	.	.			trans	-64.3	115.7	165.9	-102.5	5.4	0	0	0	107	R195 G204	R195-D206 HydrophobicContact CB-CB 3.86Å; R195-D206 WeakPolarHBondContact CB-O 3.45Å; R195-D206 HydrophobicContact CG-CB 4.13Å; R195-D206 IonicContact CZ-OD2 2.78Å; R195-D206 PolarHBondContact N-O 3.43Å; R195-D206 IonicContact NH1-OD2 2.73Å; R195-D206 PolarHBondContact NH1-OD2 3.47Å; G204-D206 PolarHBondContact O-N 3.26Å
207	I	71.1	Confident	62.7	Low	83 Å²	83	71.1 Å²	71.1	43%	0.426	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	126.3	176.7	-62.1	170.3	0	0	0	107.2	E192 T205	E192-I207 HydrophobicContact CB-CG2 3.53Å; E192-I207 HydrophobicContact CG-CG2 3.88Å; T205-I207 PolarHBondContact O-N 3.45Å; T205-I207 VanDerWaalsContact O-N 3.16Å
208	V	75.1	Confident	63.4	Low	5 Å²	5	67.3 Å²	67.3	3%	0.03	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	109.3	169.8	-176.7	0	0	0	0	107.2	D103 V193 R195 P255	D103-V208 HydrophobicContact CB-CG1 4.38Å; V193-V208 HydrophobicContact CB-CB 4.3Å; V193-V208 PolarHBondContact N-O 3.34Å; V193-V208 PolarHBondContact O-N 3.5Å; R195-V208 HydrophobicContact CG-CG2 3.93Å; V208-P255 HydrophobicContact CG1-CB 3.9Å
209	G	82.3	Confident	64	Low	22 Å²	22	65.6 Å²	65.6	23%	0.227	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	159.1	172.2	0	0	0	0	0	111.9	L191 P255 A256	L191-G209 VanDerWaalsContact O-CA 3.3Å; L191-G209 WeakPolarHBondContact O-CA 3.25Å; G209-P255 CarbonylContact O-C 3.23Å; G209-P255 WeakPolarHBondContact O-CA 3.15Å; G209-A256 WeakPolarHBondContact O-CB 3.34Å; G209-A256 PolarHBondContact O-N 2.87Å
210	G	85.1	Confident	64.1	Low	12 Å²	12	64.3 Å²	64.3	12%	0.124	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	144.9	167	0	0	0	0	0	112.2	C188 L191 V254	C188-G210 CarbonylContact O-C 3.56Å; C188-G210 VanDerWaalsContact O-CA 3.28Å; C188-G210 WeakPolarHBondContact O-CA 3.42Å; L191-G210 PolarHBondContact O-N 3.15Å; G210-V254 CarbonylContact C-O 3.52Å; G210-V254 WeakPolarHBondContact CA-O 3.08Å
211	R	85.7	Confident	64.1	Low	41 Å²	41	63.5 Å²	63.5	16%	0.155	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	129.5	173.6	173.8	175.3	-74.1	164.7	-4.1	108.9	C188 V254 A256 C258 E284 D286	C188-R211 PolarHBondContact SG-O 3.34Å; R211-V254 HydrophobicContact CB-CG2 4.2Å; R211-V254 PolarHBondContact N-O 3.16Å; R211-V254 VanDerWaalsContact O-CG2 3.31Å; R211-V254 WeakPolarHBondContact O-CG2 3.41Å; R211-V254 PolarHBondContact O-N 3.35Å; R211-A256 HydrophobicContact CB-CB 4.43Å; R211-A256 PolarHBondContact NH1-O 2.91Å; R211-A256 PolarHBondContact NH2-O 2.92Å; R211-C258 PolarHBondContact NH1-O 3.46Å; R211-E284 WeakPolarHBondContact CD-O 3.18Å; R211-E284 HydrophobicContact CG-CB 4.39Å; R211-E284 PolarHBondContact NE-O 3.34Å; R211-D286 IonicContact NH2-OD2 3.79Å; R211-D286 PolarHBondContact NH2-OD2 2.82Å
212	N	86.1	Confident	64.1	Low	17 Å²	17	63.6 Å²	63.6	9%	0.091	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	132.1	176.9	-174.1	50.7	0	0	0	110	Y185 E284	Y185-N212 HydrophobicContact CD2-CB 3.9Å; Y185-N212 HydrophobicContact CE2-CB 4.21Å; N212-E284 PolarHBondContact O-N 2.88Å
213	C	84.9	Confident	63.9	Low	0 Å²	0	60.3 Å²	60.3	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	139.5	173.3	-59.5	0	0	0	0	110	G251 I252 V254 I263 V281 R282 C283	C213-G251 CarbonylContact O-C 3.41Å; C213-G251 WeakPolarHBondContact O-CA 3.42Å; C213-I252 HydrophobicContact CB-CG1 4.07Å; C213-I252 PolarHBondContact N-O 2.84Å; C213-I252 WeakPolarHBondContact O-CG1 3.36Å; C213-I252 PolarHBondContact O-N 3.41Å; C213-I252 VanDerWaalsContact O-O 3.12Å; C213-V254 HydrophobicContact CB-CG2 4.47Å; C213-V254 WeakPolarHBondContact SG-CG2 3.49Å; C213-I263 HydrophobicContact CB-CD1 3.97Å; C213-I263 VanDerWaalsContact SG-CD1 3.5Å; C213-V281 HydrophobicContact CB-CG1 4.07Å; C213-R282 CarbonylContact C-O 3.41Å; C213-R282 VanDerWaalsContact CA-O 3.29Å; C213-R282 WeakPolarHBondContact CA-O 3.46Å; C213-C283 HydrophobicContact CB-CB 4.07Å; C213-C283 WeakPolarHBondContact CB-SG 3.45Å; C213-C283 VanDerWaalsContact SG-CA 3.57Å; C213-C283 WeakPolarHBondContact SG-CB 3.3Å; C213-C283 CovalentContact SG-SG 2.04Å; C213-C283 PolarHBondContact SG-SG 2.89Å
214	V	83	Confident	64	Low	30 Å²	30	58 Å²	58	18%	0.182	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	115.6	175.3	-177.8	0	0	0	0	108.8	Q216 R249 R282	V214-Q216 HydrophobicContact CG1-CG 4.4Å; V214-R249 HydrophobicContact CG1-CB 4.05Å; V214-R249 HydrophobicContact CG1-CG 4.49Å; V214-R282 PolarHBondContact N-O 3.28Å; V214-R282 PolarHBondContact O-N 3.33Å
215	V	80.2	Confident	63.8	Low	5 Å²	5	66 Å²	66	3%	0.03	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	123.9	169.8	-179.1	0	0	0	0	108.5	L217 R249 W250 I252 M279 V281	V215-L217 HydrophobicContact CG1-CD1 4.34Å; V215-L217 HydrophobicContact CG1-CG 4.15Å; V215-R249 CarbonylContact O-C 3.55Å; V215-R249 WeakPolarHBondContact O-CA 3.2Å; V215-W250 HydrophobicContact CB-CB 4.4Å; V215-W250 PolarHBondContact N-O 3.47Å; V215-W250 PolarHBondContact O-N 3.49Å; V215-I252 HydrophobicContact CG2-CD1 3.6Å; V215-I252 HydrophobicContact CG2-CG1 3.97Å; V215-I252 HydrophobicContact CG2-CG2 4.39Å; V215-M279 HydrophobicContact CG1-CE 3.62Å; V215-M279 HydrophobicContact CG1-CG 3.82Å; V215-M279 HydrophobicContact CG1-SD 3.89Å; V215-M279 HydrophobicContact CG2-CE 4.21Å; V215-V281 HydrophobicContact CG2-CG2 4.14Å
216	Q	73.3	Confident	63.5	Low	21 Å²	21	68.9 Å²	68.9	10%	0.098	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	119.1	173.6	-59.5	-172.2	-25.5	0	0	108.6	V214 L247 F248 R249 M279 R280	V214-Q216 HydrophobicContact CG1-CG 4.4Å; Q216-L247 HydrophobicContact CB-CD2 4.05Å; Q216-F248 CarbonylContact C-O 3.55Å; Q216-F248 WeakPolarHBondContact CA-O 3.47Å; Q216-R249 HydrophobicContact CG-CG 4.31Å; Q216-M279 CarbonylContact O-C 3.59Å; Q216-M279 WeakPolarHBondContact O-CA 3.43Å; Q216-R280 PolarHBondContact N-O 3.4Å; Q216-R280 PolarHBondContact O-N 3.42Å
217	L	70	Confident	62	Low	41 Å²	41	66.3 Å²	66.3	22%	0.215	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	113.1	175	-74.9	156.1	0	0	0	108.2	V215 L219 F248 L274 M279	V215-L217 HydrophobicContact CG1-CD1 4.34Å; V215-L217 HydrophobicContact CG1-CG 4.15Å; L217-L219 PolarHBondContact O-N 3.38Å; L217-F248 HydrophobicContact CB-CB 4.1Å; L217-F248 HydrophobicContact CB-CD1 4.02Å; L217-F248 HydrophobicContact CB-CG 4.49Å; L217-F248 HydrophobicContact CD1-CD1 3.56Å; L217-F248 HydrophobicContact CD1-CE1 3.83Å; L217-F248 HydrophobicContact CG-CD1 4.31Å; L217-F248 PolarHBondContact N-O 3.15Å; L217-F248 PolarHBondContact O-N 3.47Å; L217-F248 VanDerWaalsContact O-N 3.08Å; L217-L274 HydrophobicContact CD2-CD1 3.93Å; L217-L274 HydrophobicContact CD2-CG 4.3Å; L217-M279 HydrophobicContact CD2-CB 3.79Å; L217-M279 HydrophobicContact CD2-CG 4.02Å; L217-M279 HydrophobicContact CD2-SD 4.25Å
218	S	60.5	Low	60	Low	12 Å²	12	67.8 Å²	67.8	8%	0.084	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-69.7	121.6	164.7	-73.2	0	0	0	0	108.8	G278	S218-G278 PolarHBondContact N-O 3.46Å
219	L	53.4	Low	57.8	Low	92 Å²	92	76.9 Å²	76.9	48%	0.482	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-67.4	132.4	168.5	-70.6	168.4	0	0	0	108.3	L217	L217-L219 PolarHBondContact O-N 3.38Å
220	P	46.9	Very low	55.1	Low	96 Å²	96	83.9 Å²	83.9	62%	0.623	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-57.6	145.2	171	23.8	-31.4	0	0	0	109.2	L222	P220-L222 PolarHBondContact O-N 3.02Å
221	P	43.6	Very low	52.3	Low	85 Å²	85	92.9 Å²	92.9	55%	0.552	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-53.7	129.8	176	21.8	-31.6	0	0	0	108.9
222	L	37.9	Very low	49.6	Very low	161 Å²	161	97.9 Å²	97.9	84%	0.843	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-47.5	129.3	172.9	-77.6	161.1	0	0	0	108.2	P220 E224	P220-L222 PolarHBondContact O-N 3.02Å; L222-E224 PolarHBondContact O-N 3.19Å; L222-E224 VanDerWaalsContact O-N 3.14Å
223	P	33.3	Very low	47.1	Very low	107 Å²	107	102.1 Å²	102.1	70%	0.695	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-53.2	124.9	-173.9	-3.4	-2.4	0	0	0	110.6	K225	P223-K225 PolarHBondContact O-N 3.49Å
224	E	42.7	Very low	44.4	Very low	150 Å²	150	108.5 Å²	108.5	70%	0.701	57%	0.565	S	S	*	*	G	3₁₀ helix	trans	-55.7	-3	-172.1	-73.9	177.4	146.5	0	0	116	L222 I226 A227	L222-E224 PolarHBondContact O-N 3.19Å; L222-E224 VanDerWaalsContact O-N 3.14Å; E224-I226 PolarHBondContact O-N 3.2Å; E224-A227 CarbonylContact O-C 3.5Å; E224-A227 PolarHBondContact O-N 2.85Å
225	K	35	Very low	41.8	Very low	207 Å²	207	111.2 Å²	111.2	90%	0.9	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-66.7	5.1	-179.3	-77.3	-172.9	175.5	-179.6	0	115.2	P223	P223-K225 PolarHBondContact O-N 3.49Å
226	I	40.3	Very low	39.5	Very low	171 Å²	171	115.3 Å²	115.3	88%	0.877	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-112.1	0.9	167.6	-56.9	178	0	0	0	112.3	E224	E224-I226 PolarHBondContact O-N 3.2Å
227	A	32.4	Very low	37.3	Very low	35 Å²	35	120.4 Å²	120.4	29%	0.289	66%	0.661	S	S	.	*	S	Bend	trans	-128.4	86.3	175.5	0	0	0	0	0	110	E224 F229	E224-A227 CarbonylContact O-C 3.5Å; E224-A227 PolarHBondContact O-N 2.85Å; A227-F229 PolarHBondContact O-N 2.84Å
228	S	27.9	Very low	35.6	Very low	114 Å²	114	125.2 Å²	125.2	80%	0.797	69%	0.686	S	S	*	*			trans	-54.4	99.4	168.4	53	0	0	0	0	111.3
229	F	29.3	Very low	34.3	Very low	196 Å²	196	130.8 Å²	130.8	86%	0.86	71%	0.71	S	S	*	*			trans	-179.6	135.6	134.1	-122	-101.7	0	0	0	110.4	A227	A227-F229 PolarHBondContact O-N 2.84Å
230	Q	26.4	Very low	33.6	Very low	169 Å²	169	130.4 Å²	130.4	79%	0.79	70%	0.702	S	S	*	*			trans	-55.7	126.6	-176.2	-146.1	117.6	-9.8	0	0	113.8
231	W	26.3	Very low	33.3	Very low	200 Å²	200	126.5 Å²	126.5	76%	0.758	68%	0.678	S	S	*	*			trans	-146	130.2	153.3	-165	74.8	0	0	0	110.7
232	E	29.4	Very low	33	Very low	147 Å²	147	126 Å²	126	69%	0.687	67%	0.674	S	S	*	*			trans	-84	134.8	-176.1	-140.2	86.8	-161.3	0	0	109.9	D234	E232-D234 PolarHBondContact O-N 3.48Å
233	P	32.9	Very low	33.1	Very low	105 Å²	105	121.7 Å²	121.7	68%	0.682	65%	0.654	S	S	*	*			trans	-84.2	115.8	-175.9	31.1	-30.8	0	0	0	112.1
234	D	28.4	Very low	33.6	Very low	134 Å²	134	117.6 Å²	117.6	72%	0.717	63%	0.627	S	S	*	*			trans	-72	128.3	166.9	-92.7	-26.7	0	0	0	111.1	E232 S236	E232-D234 PolarHBondContact O-N 3.48Å; D234-S236 PolarHBondContact O-N 3.29Å
235	G	28.2	Very low	33.6	Very low	87 Å²	87	111.7 Å²	111.7	90%	0.897	60%	0.6	S	S	*	*			trans	-73.5	25.2	-169.2	0	0	0	0	0	117.3	T237	G235-T237 PolarHBondContact O-N 3.1Å
236	S	31	Very low	34.2	Very low	91 Å²	91	105.6 Å²	105.6	64%	0.636	58%	0.581	S	S	*	*	S	Bend	trans	-87	109.3	171.3	60.3	0	0	0	0	109.9	D234 L238	D234-S236 PolarHBondContact O-N 3.29Å; S236-L238 PolarHBondContact O-N 3.09Å; S236-L238 VanDerWaalsContact O-N 3.1Å
237	T	28.7	Very low	35	Very low	129 Å²	129	98.4 Å²	98.4	79%	0.791	55%	0.545	S	S	*	.			trans	10.2	90.1	159.4	47.1	0	0	0	0	114.6	G235 Q239	G235-T237 PolarHBondContact O-N 3.1Å; T237-Q239 VanDerWaalsContact C-N 3.29Å; T237-Q239 PolarHBondContact O-N 3.33Å
238	L	33.9	Very low	37	Very low	141 Å²	141	99 Å²	99	74%	0.738	54%	0.541	S	S	*	.			trans	-60.2	87.4	173.6	-108.9	124.7	0	0	0	109.7	S236 R240	S236-L238 PolarHBondContact O-N 3.09Å; S236-L238 VanDerWaalsContact O-N 3.1Å; L238-R240 PolarHBondContact O-N 2.93Å
239	Q	32.1	Very low	39.3	Very low	129 Å²	129	95.2 Å²	95.2	60%	0.603	51%	0.509	S	S	*	.			trans	-84.6	108.8	172.1	-152.3	168.9	-5.1	0	0	107.3	T237	T237-Q239 VanDerWaalsContact C-N 3.29Å; T237-Q239 PolarHBondContact O-N 3.33Å
240	R	40.2	Very low	41.8	Very low	84 Å²	84	90.1 Å²	90.1	32%	0.317	48%	0.484	S	S	.	.			trans	-86.4	138.5	-165.9	-60.6	177.7	-171.6	163.2	-0.5	112.5	L238 S277	L238-R240 PolarHBondContact O-N 2.93Å; R240-S277 PolarHBondContact NH1-O 2.83Å
241	S	40.5	Very low	44.7	Very low	15 Å²	15	82.1 Å²	82.1	11%	0.105	45%	0.447	C	S	.	.			trans	-84.5	141.4	-176.8	-152.3	0	0	0	0	113.4	V243 E583	S241-V243 VanDerWaalsContact C-N 3.26Å; S241-V243 PolarHBondContact O-N 3.15Å; S241-E583 WeakPolarHBondContact CB-OE2 3.26Å; S241-E583 PolarHBondContact OG-OE2 3.25Å
242	P	37.4	Very low	47.5	Very low	73 Å²	73	73.3 Å²	73.3	47%	0.474	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-16.8	172	27.3	-32.3	0	0	0	114.5	L247	P242-L247 HydrophobicContact CB-CD1 4.1Å
243	V	39.6	Very low	50.2	Low	71 Å²	71	66.4 Å²	66.4	43%	0.43	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-21.7	-176	-176.9	0	0	0	0	112.6	S241	S241-V243 VanDerWaalsContact C-N 3.26Å; S241-V243 PolarHBondContact O-N 3.15Å
244	T	42.2	Very low	52.8	Low	21 Å²	21	62 Å²	62	13%	0.129	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114	-14.2	-157.9	66	0	0	0	0	114.6	L579 K580	T244-L579 VanDerWaalsContact CG2-O 3.32Å; T244-L579 WeakPolarHBondContact CG2-O 3.45Å; T244-K580 HydrophobicContact CG2-CG 4.36Å
245	E	43.5	Very low	55.6	Low	27 Å²	27	55.7 Å²	55.7	13%	0.126	32%	0.32	C	S	.	.	S	Bend	trans	-129.6	125.3	175.9	-67.5	177.9	176.4	0	0	107.2	L247 K580	E245-L247 PolarHBondContact O-N 3.37Å; E245-K580 IonicContact OE1-NZ 3.45Å
246	P	46.9	Very low	58.3	Low	78 Å²	78	53.2 Å²	53.2	51%	0.506	29%	0.291	S	S	.	.			trans	-63.7	97.2	171.4	27.8	-32.3	0	0	0	107.1	L179 F248	L179-P246 HydrophobicContact CD1-CB 3.83Å; L179-P246 HydrophobicContact CD1-CG 4.13Å; P246-F248 PolarHBondContact O-N 2.94Å; P246-F248 VanDerWaalsContact O-N 3.11Å
247	L	58.7	Low	60.8	Low	20 Å²	20	51.1 Å²	51.1	11%	0.105	27%	0.274	C	S	.	.			trans	-63.8	116.4	175.8	-77.1	131.3	0	0	0	106.2	Q216 P242 E245 R249	Q216-L247 HydrophobicContact CB-CD2 4.05Å; P242-L247 HydrophobicContact CB-CD1 4.1Å; E245-L247 PolarHBondContact O-N 3.37Å; L247-R249 HydrophobicContact CB-CG 4.37Å; L247-R249 PolarHBondContact O-N 3.33Å
248	F	72.9	Confident	63.5	Low	47 Å²	47	45 Å²	45	21%	0.206	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	113.2	166.7	175.1	-89.2	0	0	0	106.7	L179 F181 Q216 L217 P246 W250	L179-F248 WeakPolarHBondContact O-CA 3.21Å; F181-F248 AromaticContact CD2-CE2 3.64Å; F181-F248 HydrophobicContact CD2-CE2 3.64Å; F181-F248 AromaticContact CD2-CZ 3.55Å; F181-F248 HydrophobicContact CD2-CZ 3.55Å; F181-F248 HydrophobicContact CE2-CD2 4.29Å; F181-F248 AromaticContact CE2-CE2 3.16Å; F181-F248 HydrophobicContact CE2-CE2 3.16Å; F181-F248 AromaticContact CE2-CZ 3.46Å; F181-F248 HydrophobicContact CE2-CZ 3.46Å; F181-F248 VanDerWaalsContact CE2-CZ 3.46Å; F181-F248 HydrophobicContact CZ-CD2 4.49Å; F181-F248 AromaticContact CZ-CE2 3.67Å; F181-F248 HydrophobicContact CZ-CE2 3.67Å; F181-F248 HydrophobicContact CZ-CZ 4.4Å; Q216-F248 CarbonylContact C-O 3.55Å; Q216-F248 WeakPolarHBondContact CA-O 3.47Å; L217-F248 HydrophobicContact CB-CB 4.1Å; L217-F248 HydrophobicContact CB-CD1 4.02Å; L217-F248 HydrophobicContact CB-CG 4.49Å; L217-F248 HydrophobicContact CD1-CD1 3.56Å; L217-F248 HydrophobicContact CD1-CE1 3.83Å; L217-F248 HydrophobicContact CG-CD1 4.31Å; L217-F248 PolarHBondContact N-O 3.15Å; L217-F248 PolarHBondContact O-N 3.47Å; L217-F248 VanDerWaalsContact O-N 3.08Å; P246-F248 PolarHBondContact O-N 2.94Å; P246-F248 VanDerWaalsContact O-N 3.11Å; F248-W250 HydrophobicContact CD1-CB 4.25Å; F248-W250 HydrophobicContact CE1-CB 3.59Å; F248-W250 HydrophobicContact CE1-CG 4.2Å; F248-W250 HydrophobicContact CZ-CB 4.25Å
249	R	76.7	Confident	65.9	Low	35 Å²	35	41.6 Å²	41.6	13%	0.132	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	121.6	179.7	-66.1	-169.3	-174.4	159.9	9.3	108.2	L179 I180 F181 V214 V215 Q216 L247 N406 N407	L179-R249 PolarHBondContact O-N 2.88Å; I180-R249 CarbonylContact C-O 3.55Å; I180-R249 HydrophobicContact CG1-CB 4.37Å; I180-R249 HydrophobicContact CG2-CB 4.24Å; F181-R249 PolarHBondContact N-O 3.07Å; V214-R249 HydrophobicContact CG1-CB 4.05Å; V214-R249 HydrophobicContact CG1-CG 4.49Å; V215-R249 CarbonylContact O-C 3.55Å; V215-R249 WeakPolarHBondContact O-CA 3.2Å; Q216-R249 HydrophobicContact CG-CG 4.31Å; L247-R249 HydrophobicContact CB-CG 4.37Å; L247-R249 PolarHBondContact O-N 3.33Å; R249-N406 PolarHBondContact NH1-O 3.37Å; R249-N406 VanDerWaalsContact NH1-O 3.1Å; R249-N406 PolarHBondContact NH2-O 2.61Å; R249-N407 PolarHBondContact NH1-OD1 3.14Å
250	W	82.3	Confident	68.3	Low	90 Å²	90	36.6 Å²	36.6	34%	0.341	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	108.5	179.1	-172.3	27.6	0	0	0	110.4	F167 G168 F181 V215 F248 I252	F167-W250 HydrophobicContact CD1-CZ2 4.08Å; G168-W250 PolarHBondContact O-NE1 3.18Å; F181-W250 CarbonylContact O-C 3.54Å; F181-W250 WeakPolarHBondContact O-CA 3.46Å; V215-W250 HydrophobicContact CB-CB 4.4Å; V215-W250 PolarHBondContact N-O 3.47Å; V215-W250 PolarHBondContact O-N 3.49Å; F248-W250 HydrophobicContact CD1-CB 4.25Å; F248-W250 HydrophobicContact CE1-CB 3.59Å; F248-W250 HydrophobicContact CE1-CG 4.2Å; F248-W250 HydrophobicContact CZ-CB 4.25Å; W250-I252 HydrophobicContact CD2-CG2 3.8Å; W250-I252 HydrophobicContact CE3-CG2 4.04Å; W250-I252 HydrophobicContact CG-CG2 4.22Å; W250-I252 HydrophobicContact CH2-CG2 4.47Å; W250-I252 HydrophobicContact CZ2-CG2 4.25Å; W250-I252 HydrophobicContact CZ3-CG2 4.37Å
251	G	86.1	Confident	70.3	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	125	168.9	0	0	0	0	0	110.2	G168 F181 L182 C213	G168-G251 WeakPolarHBondContact CA-O 3.27Å; G168-G251 PolarHBondContact N-O 3.5Å; F181-G251 PolarHBondContact O-N 3Å; L182-G251 WeakPolarHBondContact O-CA 3.46Å; C213-G251 CarbonylContact O-C 3.41Å; C213-G251 WeakPolarHBondContact O-CA 3.42Å
252	I	85.4	Confident	72.4	Confident	16 Å²	16	34.6 Å²	34.6	8%	0.082	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	143.3	175	60.1	170.4	0	0	0	108.2	F167 C213 V215 W250 V254 I263	F167-I252 HydrophobicContact CD1-CB 4.22Å; F167-I252 HydrophobicContact CD1-CG2 3.93Å; F167-I252 HydrophobicContact CE1-CB 4.04Å; F167-I252 HydrophobicContact CE1-CG2 3.98Å; F167-I252 HydrophobicContact CZ-CB 4.29Å; C213-I252 HydrophobicContact CB-CG1 4.07Å; C213-I252 PolarHBondContact N-O 2.84Å; C213-I252 WeakPolarHBondContact O-CG1 3.36Å; C213-I252 PolarHBondContact O-N 3.41Å; C213-I252 VanDerWaalsContact O-O 3.12Å; V215-I252 HydrophobicContact CG2-CD1 3.6Å; V215-I252 HydrophobicContact CG2-CG1 3.97Å; V215-I252 HydrophobicContact CG2-CG2 4.39Å; W250-I252 HydrophobicContact CD2-CG2 3.8Å; W250-I252 HydrophobicContact CE3-CG2 4.04Å; W250-I252 HydrophobicContact CG-CG2 4.22Å; W250-I252 HydrophobicContact CH2-CG2 4.47Å; W250-I252 HydrophobicContact CZ2-CG2 4.25Å; W250-I252 HydrophobicContact CZ3-CG2 4.37Å; I252-V254 HydrophobicContact CD1-CG1 3.9Å; I252-V254 HydrophobicContact CG1-CG1 4.17Å; I252-I263 HydrophobicContact CD1-CG2 4.04Å
253	C	86.8	Confident	74.5	Confident	2 Å²	2	31.8 Å²	31.8	1%	0.014	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	120.5	172.8	-170.2	0	0	0	0	109.1	I163 A166 F167 C188	I163-C253 HydrophobicContact CG2-CB 4.28Å; I163-C253 WeakPolarHBondContact CG2-O 3.31Å; I163-C253 WeakPolarHBondContact O-CB 3.48Å; A166-C253 HydrophobicContact CB-CB 3.88Å; F167-C253 HydrophobicContact CD2-CB 4.07Å; F167-C253 HydrophobicContact CE2-CB 4.06Å; F167-C253 WeakPolarHBondContact CE2-O 3.33Å; F167-C253 WeakPolarHBondContact CZ-O 3.39Å; C188-C253 WeakPolarHBondContact CA-SG 3.21Å; C188-C253 HydrophobicContact CB-CB 3.8Å; C188-C253 WeakPolarHBondContact CB-SG 3.34Å; C188-C253 WeakPolarHBondContact SG-CA 3.18Å; C188-C253 WeakPolarHBondContact SG-CB 3.28Å; C188-C253 CovalentContact SG-SG 2.04Å; C188-C253 PolarHBondContact SG-SG 2.81Å
254	V	87.3	Confident	76.6	Confident	11 Å²	11	30.9 Å²	30.9	7%	0.067	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	163.6	178.9	-62.7	0	0	0	0	110.5	G210 R211 C213 I252 C258 I263	G210-V254 CarbonylContact C-O 3.52Å; G210-V254 WeakPolarHBondContact CA-O 3.08Å; R211-V254 HydrophobicContact CB-CG2 4.2Å; R211-V254 PolarHBondContact N-O 3.16Å; R211-V254 VanDerWaalsContact O-CG2 3.31Å; R211-V254 WeakPolarHBondContact O-CG2 3.41Å; R211-V254 PolarHBondContact O-N 3.35Å; C213-V254 HydrophobicContact CB-CG2 4.47Å; C213-V254 WeakPolarHBondContact SG-CG2 3.49Å; I252-V254 HydrophobicContact CD1-CG1 3.9Å; I252-V254 HydrophobicContact CG1-CG1 4.17Å; V254-C258 HydrophobicContact CG2-CB 4.3Å; V254-I263 HydrophobicContact CB-CD1 4.33Å; V254-I263 HydrophobicContact CG1-CD1 3.78Å; V254-I263 HydrophobicContact CG1-CG1 4.34Å; V254-I263 HydrophobicContact CG2-CD1 3.95Å
255	P	86.8	Confident	78.4	Confident	3 Å²	3	34.3 Å²	34.3	2%	0.019	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	142.4	169.9	-24.4	35.6	0	0	0	112	D103 I104 V208 G209 T257 C258	D103-P255 HydrophobicContact CB-CB 3.65Å; D103-P255 HydrophobicContact CB-CG 3.72Å; I104-P255 HydrophobicContact CG1-CG 4.18Å; V208-P255 HydrophobicContact CG1-CB 3.9Å; G209-P255 CarbonylContact O-C 3.23Å; G209-P255 WeakPolarHBondContact O-CA 3.15Å; P255-T257 PolarHBondContact O-N 3.25Å; P255-T257 VanDerWaalsContact O-N 3.08Å; P255-C258 WeakPolarHBondContact O-CB 3.39Å; P255-C258 PolarHBondContact O-N 3.11Å
256	A	84.3	Confident	80	Confident	34 Å²	34	34 Å²	34	28%	0.281	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-17.5	-178.8	0	0	0	0	0	114.3	G209 R211 C258	G209-A256 WeakPolarHBondContact O-CB 3.34Å; G209-A256 PolarHBondContact O-N 2.87Å; R211-A256 HydrophobicContact CB-CB 4.43Å; R211-A256 PolarHBondContact NH1-O 2.91Å; R211-A256 PolarHBondContact NH2-O 2.92Å; A256-C258 VanDerWaalsContact C-N 3.26Å; A256-C258 PolarHBondContact O-N 3.19Å
257	T	83.4	Confident	81.4	Confident	48 Å²	48	31 Å²	31	29%	0.294	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-19.3	173.3	51.9	0	0	0	0	113.2	R99 C100 D103 P255	R99-T257 HydrophobicContact CB-CG2 4.18Å; C100-T257 WeakPolarHBondContact CA-OG1 3.06Å; D103-T257 WeakPolarHBondContact OD2-CG2 3.32Å; D103-T257 PolarHBondContact OD2-OG1 3.17Å; P255-T257 PolarHBondContact O-N 3.25Å; P255-T257 VanDerWaalsContact O-N 3.08Å
258	C	85.8	Confident	82	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.176	C	C	.	.			trans	-87.2	138.9	-176.1	-64	0	0	0	0	112.1	C100 I104 R211 V254 P255 A256	C100-C258 VanDerWaalsContact CA-SG 3.5Å; C100-C258 HydrophobicContact CB-CB 3.99Å; C100-C258 WeakPolarHBondContact CB-SG 3.32Å; C100-C258 WeakPolarHBondContact SG-CA 3.39Å; C100-C258 WeakPolarHBondContact SG-CB 3.32Å; C100-C258 CovalentContact SG-SG 2.04Å; C100-C258 PolarHBondContact SG-SG 3.3Å; I104-C258 WeakPolarHBondContact CD1-SG 3.28Å; R211-C258 PolarHBondContact NH1-O 3.46Å; V254-C258 HydrophobicContact CG2-CB 4.3Å; P255-C258 WeakPolarHBondContact O-CB 3.39Å; P255-C258 PolarHBondContact O-N 3.11Å; A256-C258 VanDerWaalsContact C-N 3.26Å; A256-C258 PolarHBondContact O-N 3.19Å
259	V	85.4	Confident	81.9	Confident	70 Å²	70	34.2 Å²	34.2	42%	0.424	18%	0.182	S	C	.	.			trans	-105.4	164.5	169.1	-88	0	0	0	0	111.1	S261 D262 I263	V259-S261 VanDerWaalsContact C-N 3.26Å; V259-S261 PolarHBondContact O-N 3.05Å; V259-D262 WeakPolarHBondContact CG2-OD2 3.12Å; V259-D262 PolarHBondContact N-OD2 3.21Å; V259-D262 VanDerWaalsContact N-OD2 3.16Å; V259-D262 WeakPolarHBondContact O-CB 3.32Å; V259-D262 PolarHBondContact O-N 3.03Å; V259-D262 VanDerWaalsContact O-N 3.07Å; V259-I263 PolarHBondContact O-N 2.82Å
260	A	81.4	Confident	81.5	Confident	24 Å²	24	36.2 Å²	36.2	20%	0.198	21%	0.206	C	C	.	.	H	α-helix	trans	-55.2	-40.2	-175.3	0	0	0	0	0	113.3	D262 I263 E264 V281 C283	A260-D262 VanDerWaalsContact C-N 3.33Å; A260-D262 PolarHBondContact O-N 3.32Å; A260-I263 PolarHBondContact O-N 3.31Å; A260-E264 PolarHBondContact O-N 2.9Å; A260-V281 HydrophobicContact CB-CB 4.4Å; A260-V281 HydrophobicContact CB-CG1 4.34Å; A260-V281 WeakPolarHBondContact CB-O 3.42Å; A260-C283 HydrophobicContact CB-CB 4.27Å
261	S	82.8	Confident	80.7	Confident	52 Å²	52	37.4 Å²	37.4	36%	0.364	22%	0.217	S	C	.	.	H	α-helix	trans	-65.2	-31.9	178.8	54.6	0	0	0	0	113.5	V259 R265	V259-S261 VanDerWaalsContact C-N 3.26Å; V259-S261 PolarHBondContact O-N 3.05Å; S261-R265 WeakPolarHBondContact O-CG 3.49Å; S261-R265 PolarHBondContact O-N 3.43Å
262	D	84.7	Confident	79.8	Confident	5 Å²	5	42.2 Å²	42.2	3%	0.027	25%	0.248	C	C	.	.	H	α-helix	trans	-66.2	-41.8	175	-63.5	-38.4	0	0	0	110.4	I96 D97 V259 A260 R265 L266	I96-D262 HydrophobicContact CG2-CB 4.36Å; D97-D262 PolarHBondContact N-OD1 3.39Å; V259-D262 WeakPolarHBondContact CG2-OD2 3.12Å; V259-D262 PolarHBondContact N-OD2 3.21Å; V259-D262 VanDerWaalsContact N-OD2 3.16Å; V259-D262 WeakPolarHBondContact O-CB 3.32Å; V259-D262 PolarHBondContact O-N 3.03Å; V259-D262 VanDerWaalsContact O-N 3.07Å; A260-D262 VanDerWaalsContact C-N 3.33Å; A260-D262 PolarHBondContact O-N 3.32Å; D262-R265 PolarHBondContact O-N 2.7Å; D262-L266 WeakPolarHBondContact O-CB 3.34Å; D262-L266 VanDerWaalsContact O-CG 3.25Å; D262-L266 WeakPolarHBondContact O-CG 3.34Å; D262-L266 PolarHBondContact O-N 2.9Å
263	I	82.1	Confident	78.6	Confident	13 Å²	13	44.8 Å²	44.8	7%	0.067	27%	0.268	C	S	.	.	H	α-helix	trans	-68.2	-43.8	-179.3	-58.1	168	0	0	0	110.8	C213 I252 V254 V259 A260 R265 L266 S267 V281 C283	C213-I263 HydrophobicContact CB-CD1 3.97Å; C213-I263 VanDerWaalsContact SG-CD1 3.5Å; I252-I263 HydrophobicContact CD1-CG2 4.04Å; V254-I263 HydrophobicContact CB-CD1 4.33Å; V254-I263 HydrophobicContact CG1-CD1 3.78Å; V254-I263 HydrophobicContact CG1-CG1 4.34Å; V254-I263 HydrophobicContact CG2-CD1 3.95Å; V259-I263 PolarHBondContact O-N 2.82Å; A260-I263 PolarHBondContact O-N 3.31Å; I263-R265 VanDerWaalsContact C-N 3.3Å; I263-R265 PolarHBondContact O-N 3.45Å; I263-L266 PolarHBondContact O-N 3.49Å; I263-S267 WeakPolarHBondContact O-CB 3.38Å; I263-S267 PolarHBondContact O-N 3.16Å; I263-S267 PolarHBondContact O-OG 3.13Å; I263-V281 HydrophobicContact CB-CG1 4.23Å; I263-V281 HydrophobicContact CB-CG2 4.43Å; I263-V281 HydrophobicContact CD1-CG1 3.98Å; I263-V281 HydrophobicContact CG2-CG1 4.17Å; I263-V281 HydrophobicContact CG2-CG2 4.02Å; I263-C283 WeakPolarHBondContact CD1-SG 3.26Å
264	E	82.3	Confident	77.4	Confident	53 Å²	53	46.6 Å²	46.6	25%	0.248	28%	0.277	C	S	.	.	H	α-helix	trans	-57.1	-45.8	176.2	-74	178.7	170.8	0	0	111	A260 S267 D268 V275 R280 V281	A260-E264 PolarHBondContact O-N 2.9Å; E264-S267 PolarHBondContact O-N 3.28Å; E264-S267 PolarHBondContact O-OG 3.25Å; E264-D268 PolarHBondContact O-N 3.15Å; E264-V275 HydrophobicContact CB-CG2 4.32Å; E264-V275 VanDerWaalsContact O-CG2 3.3Å; E264-V275 WeakPolarHBondContact O-CG2 3.36Å; E264-R280 WeakPolarHBondContact OE1-CA 3.16Å; E264-V281 HydrophobicContact CG-CB 3.86Å; E264-V281 HydrophobicContact CG-CG2 3.61Å; E264-V281 PolarHBondContact OE1-N 2.97Å
265	R	80.9	Confident	76.1	Confident	92 Å²	92	48.4 Å²	48.4	35%	0.347	29%	0.288	S	S	.	.	H	α-helix	trans	-65.8	-45.8	177.5	-70.7	172.8	-176.4	159.8	-3.2	112.7	K95 I96 S261 D262 I263 S267 D268 I269	K95-R265 VanDerWaalsContact CB-NH1 3.3Å; K95-R265 PolarHBondContact O-NH1 3.01Å; I96-R265 HydrophobicContact CD1-CB 4.21Å; I96-R265 HydrophobicContact CG1-CB 4.28Å; S261-R265 WeakPolarHBondContact O-CG 3.49Å; S261-R265 PolarHBondContact O-N 3.43Å; D262-R265 PolarHBondContact O-N 2.7Å; I263-R265 VanDerWaalsContact C-N 3.3Å; I263-R265 PolarHBondContact O-N 3.45Å; R265-S267 PolarHBondContact O-N 3.4Å; R265-D268 PolarHBondContact O-N 3.28Å; R265-I269 VanDerWaalsContact O-CG1 3.28Å; R265-I269 WeakPolarHBondContact O-CG1 3.48Å; R265-I269 PolarHBondContact O-N 3.38Å
266	L	76.9	Confident	74.7	Confident	21 Å²	21	52.6 Å²	52.6	11%	0.11	32%	0.317	C	S	.	.	H	α-helix	trans	-60.1	-36	176.4	-74.8	169.7	0	0	0	111.8	L88 L91 I96 I104 D262 I263 I269 A270	L88-L266 HydrophobicContact CD2-CD2 3.76Å; L91-L266 HydrophobicContact CD2-CD2 4.23Å; I96-L266 HydrophobicContact CD1-CD2 3.95Å; I96-L266 HydrophobicContact CD1-CG 4.1Å; I104-L266 HydrophobicContact CD1-CD1 3.26Å; D262-L266 WeakPolarHBondContact O-CB 3.34Å; D262-L266 VanDerWaalsContact O-CG 3.25Å; D262-L266 WeakPolarHBondContact O-CG 3.34Å; D262-L266 PolarHBondContact O-N 2.9Å; I263-L266 PolarHBondContact O-N 3.49Å; L266-I269 PolarHBondContact O-N 3.4Å; L266-A270 WeakPolarHBondContact O-CB 3.28Å; L266-A270 PolarHBondContact O-N 2.85Å
267	S	75.5	Confident	73.6	Confident	16 Å²	16	54 Å²	54	11%	0.112	33%	0.325	C	S	.	.	H	α-helix	trans	-68.3	-38.8	176.8	78.3	0	0	0	0	112.6	I263 E264 R265 A270 M271 M279	I263-S267 WeakPolarHBondContact O-CB 3.38Å; I263-S267 PolarHBondContact O-N 3.16Å; I263-S267 PolarHBondContact O-OG 3.13Å; E264-S267 PolarHBondContact O-N 3.28Å; E264-S267 PolarHBondContact O-OG 3.25Å; R265-S267 PolarHBondContact O-N 3.4Å; S267-A270 PolarHBondContact O-N 3.01Å; S267-M271 PolarHBondContact O-N 2.87Å; S267-M279 VanDerWaalsContact CB-CE 3.44Å; S267-M279 VanDerWaalsContact OG-CE 3.26Å; S267-M279 WeakPolarHBondContact OG-CE 3.48Å; S267-M279 PolarHBondContact OG-SD 2.88Å
268	D	72.8	Confident	72.7	Confident	66 Å²	66	52.5 Å²	52.5	35%	0.353	32%	0.32	S	S	.	.	H	α-helix	trans	-70.9	-33.8	177	-157	43.6	0	0	0	111.8	E264 R265 M271 P272 S273 V275	E264-D268 PolarHBondContact O-N 3.15Å; R265-D268 PolarHBondContact O-N 3.28Å; D268-M271 CarbonylContact O-C 3.54Å; D268-M271 VanDerWaalsContact O-C 3.23Å; D268-P272 VanDerWaalsContact O-CA 3.23Å; D268-P272 WeakPolarHBondContact O-CA 3.48Å; D268-P272 VanDerWaalsContact O-N 3.15Å; D268-S273 PolarHBondContact OD1-N 2.94Å; D268-V275 HydrophobicContact CB-CB 4.37Å; D268-V275 HydrophobicContact CB-CG2 3.82Å
269	I	70.6	Confident	71.9	Confident	67 Å²	67	53 Å²	53	34%	0.344	32%	0.322	S	S	.	.	H	α-helix	trans	-65.9	-44.3	172.2	-67.2	164.7	0	0	0	110.8	L87 L91 I96 R265 L266	L87-I269 HydrophobicContact CD2-CG2 4.29Å; L91-I269 HydrophobicContact CD1-CD1 4.17Å; L91-I269 HydrophobicContact CD1-CG2 3.76Å; L91-I269 HydrophobicContact CD2-CD1 3.89Å; I96-I269 HydrophobicContact CD1-CD1 3.95Å; R265-I269 VanDerWaalsContact O-CG1 3.28Å; R265-I269 WeakPolarHBondContact O-CG1 3.48Å; R265-I269 PolarHBondContact O-N 3.38Å; L266-I269 PolarHBondContact O-N 3.4Å
270	A	67.6	Low	71.2	Confident	77 Å²	77	55 Å²	55	64%	0.636	32%	0.322	S	S	*	.	H	α-helix	trans	-72.4	-36.3	-179.3	0	0	0	0	0	112.6	L266 S267	L266-A270 WeakPolarHBondContact O-CB 3.28Å; L266-A270 PolarHBondContact O-N 2.85Å; S267-A270 PolarHBondContact O-N 3.01Å
271	M	65.5	Low	71	Confident	115 Å²	115	54.2 Å²	54.2	57%	0.567	32%	0.315	S	S	*	.	S	Bend	trans	-135.3	90.9	179.4	-64	-178.4	80.8	0	0	109	S267 D268 S273 L274	S267-M271 PolarHBondContact O-N 2.87Å; D268-M271 CarbonylContact O-C 3.54Å; D268-M271 VanDerWaalsContact O-C 3.23Å; M271-S273 PolarHBondContact O-N 3.49Å; M271-L274 HydrophobicContact CB-CB 4.03Å; M271-L274 HydrophobicContact CB-CD2 4.11Å; M271-L274 VanDerWaalsContact O-CB 3.29Å; M271-L274 WeakPolarHBondContact O-CB 3.34Å; M271-L274 PolarHBondContact O-N 3.36Å; M271-L274 VanDerWaalsContact O-N 3.14Å; M271-L274 HydrophobicContact SD-CD2 4.04Å
272	P	66.5	Low	70.7	Confident	101 Å²	101	57.7 Å²	57.7	66%	0.656	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	132.5	179.1	-24.7	33	0	0	0	110.9	D268	D268-P272 VanDerWaalsContact O-CA 3.23Å; D268-P272 WeakPolarHBondContact O-CA 3.48Å; D268-P272 VanDerWaalsContact O-N 3.15Å
273	S	61.6	Low	70.3	Confident	71 Å²	71	58.7 Å²	58.7	50%	0.497	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.2	3.4	-179.2	-32.2	0	0	0	0	116	D268 M271 S276 S277	D268-S273 PolarHBondContact OD1-N 2.94Å; M271-S273 PolarHBondContact O-N 3.49Å; S273-S276 VanDerWaalsContact C-OG 3.25Å; S273-S276 WeakPolarHBondContact CA-OG 3.28Å; S273-S276 WeakPolarHBondContact CB-OG 3.08Å; S273-S276 PolarHBondContact O-OG 3.41Å; S273-S277 WeakPolarHBondContact O-CB 3.32Å; S273-S277 PolarHBondContact O-N 2.98Å; S273-S277 PolarHBondContact O-OG 3.18Å
274	L	61.5	Low	69.8	Low	39 Å²	39	61.8 Å²	61.8	20%	0.204	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-41.4	-179.8	-168.6	66.3	0	0	0	111.8	L217 M271 S277 M279	L217-L274 HydrophobicContact CD2-CD1 3.93Å; L217-L274 HydrophobicContact CD2-CG 4.3Å; M271-L274 HydrophobicContact CB-CB 4.03Å; M271-L274 HydrophobicContact CB-CD2 4.11Å; M271-L274 VanDerWaalsContact O-CB 3.29Å; M271-L274 WeakPolarHBondContact O-CB 3.34Å; M271-L274 PolarHBondContact O-N 3.36Å; M271-L274 VanDerWaalsContact O-N 3.14Å; M271-L274 HydrophobicContact SD-CD2 4.04Å; L274-S277 WeakPolarHBondContact O-CB 3.34Å; L274-S277 PolarHBondContact O-N 3.42Å; L274-M279 HydrophobicContact CD2-SD 3.49Å; L274-M279 WeakPolarHBondContact CD2-SD 3.44Å; L274-M279 HydrophobicContact CG-CB 4.3Å; L274-M279 HydrophobicContact CG-SD 3.82Å; L274-M279 WeakPolarHBondContact O-CB 3.41Å; L274-M279 PolarHBondContact O-N 3.12Å
275	V	59.5	Low	68.7	Low	49 Å²	49	66.2 Å²	66.2	30%	0.297	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-43.1	174.2	175.7	0	0	0	0	110.6	E264 D268 S277 G278	E264-V275 HydrophobicContact CB-CG2 4.32Å; E264-V275 VanDerWaalsContact O-CG2 3.3Å; E264-V275 WeakPolarHBondContact O-CG2 3.36Å; D268-V275 HydrophobicContact CB-CB 4.37Å; D268-V275 HydrophobicContact CB-CG2 3.82Å; V275-S277 PolarHBondContact O-N 3.15Å; V275-G278 PolarHBondContact O-N 3Å
276	S	57.2	Low	67.4	Low	91 Å²	91	67.6 Å²	67.6	64%	0.636	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-23.3	174.7	60.5	0	0	0	0	113.4	S273 G278	S273-S276 VanDerWaalsContact C-OG 3.25Å; S273-S276 WeakPolarHBondContact CA-OG 3.28Å; S273-S276 WeakPolarHBondContact CB-OG 3.08Å; S273-S276 PolarHBondContact O-OG 3.41Å; S276-G278 PolarHBondContact O-N 3.31Å
277	S	61.4	Low	66.2	Low	63 Å²	63	71.3 Å²	71.3	44%	0.441	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-11.4	173.4	-61	0	0	0	0	112.6	R240 S273 L274 V275	R240-S277 PolarHBondContact NH1-O 2.83Å; S273-S277 WeakPolarHBondContact O-CB 3.32Å; S273-S277 PolarHBondContact O-N 2.98Å; S273-S277 PolarHBondContact O-OG 3.18Å; L274-S277 WeakPolarHBondContact O-CB 3.34Å; L274-S277 PolarHBondContact O-N 3.42Å; V275-S277 PolarHBondContact O-N 3.15Å
278	G	65	Low	65	Low	18 Å²	18	73.4 Å²	73.4	19%	0.186	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	105.6	29.1	177.4	0	0	0	0	0	114.2	S218 V275 S276	S218-G278 PolarHBondContact N-O 3.46Å; V275-G278 PolarHBondContact O-N 3Å; S276-G278 PolarHBondContact O-N 3.31Å
279	M	69.8	Low	63.7	Low	11 Å²	11	75.7 Å²	75.7	5%	0.054	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	130	166.1	-178.8	170.3	153.5	0	0	110	V215 Q216 L217 S267 L274 V281	V215-M279 HydrophobicContact CG1-CE 3.62Å; V215-M279 HydrophobicContact CG1-CG 3.82Å; V215-M279 HydrophobicContact CG1-SD 3.89Å; V215-M279 HydrophobicContact CG2-CE 4.21Å; Q216-M279 CarbonylContact O-C 3.59Å; Q216-M279 WeakPolarHBondContact O-CA 3.43Å; L217-M279 HydrophobicContact CD2-CB 3.79Å; L217-M279 HydrophobicContact CD2-CG 4.02Å; L217-M279 HydrophobicContact CD2-SD 4.25Å; S267-M279 VanDerWaalsContact CB-CE 3.44Å; S267-M279 VanDerWaalsContact OG-CE 3.26Å; S267-M279 WeakPolarHBondContact OG-CE 3.48Å; S267-M279 PolarHBondContact OG-SD 2.88Å; L274-M279 HydrophobicContact CD2-SD 3.49Å; L274-M279 WeakPolarHBondContact CD2-SD 3.44Å; L274-M279 HydrophobicContact CG-CB 4.3Å; L274-M279 HydrophobicContact CG-SD 3.82Å; L274-M279 WeakPolarHBondContact O-CB 3.41Å; L274-M279 PolarHBondContact O-N 3.12Å; M279-V281 HydrophobicContact CE-CG2 3.46Å; M279-V281 VanDerWaalsContact CE-CG2 3.46Å
280	R	70.2	Confident	62.8	Low	110 Å²	110	78.3 Å²	78.3	42%	0.415	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	139.3	168.4	-76.3	-164.3	-77.4	-167.1	-5.1	110	Q216 E264	Q216-R280 PolarHBondContact N-O 3.4Å; Q216-R280 PolarHBondContact O-N 3.42Å; E264-R280 WeakPolarHBondContact OE1-CA 3.16Å
281	V	77.2	Confident	61.7	Low	9 Å²	9	82.8 Å²	82.8	6%	0.055	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	134.3	178.5	-175.3	0	0	0	0	109.4	C213 V215 A260 I263 E264 M279	C213-V281 HydrophobicContact CB-CG1 4.07Å; V215-V281 HydrophobicContact CG2-CG2 4.14Å; A260-V281 HydrophobicContact CB-CB 4.4Å; A260-V281 HydrophobicContact CB-CG1 4.34Å; A260-V281 WeakPolarHBondContact CB-O 3.42Å; I263-V281 HydrophobicContact CB-CG1 4.23Å; I263-V281 HydrophobicContact CB-CG2 4.43Å; I263-V281 HydrophobicContact CD1-CG1 3.98Å; I263-V281 HydrophobicContact CG2-CG1 4.17Å; I263-V281 HydrophobicContact CG2-CG2 4.02Å; E264-V281 HydrophobicContact CG-CB 3.86Å; E264-V281 HydrophobicContact CG-CG2 3.61Å; E264-V281 PolarHBondContact OE1-N 2.97Å; M279-V281 HydrophobicContact CE-CG2 3.46Å; M279-V281 VanDerWaalsContact CE-CG2 3.46Å
282	R	75.6	Confident	60.9	Low	124 Å²	124	78.9 Å²	78.9	47%	0.468	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	121.3	170.4	-70.7	-173.2	174.7	-180	-2.1	109	C213 V214	C213-R282 CarbonylContact C-O 3.41Å; C213-R282 VanDerWaalsContact CA-O 3.29Å; C213-R282 WeakPolarHBondContact CA-O 3.46Å; V214-R282 PolarHBondContact N-O 3.28Å; V214-R282 PolarHBondContact O-N 3.33Å
283	C	77.5	Confident	60.1	Low	26 Å²	26	77.8 Å²	77.8	18%	0.176	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	153.7	176.1	-69.1	0	0	0	0	110.7	C213 A260 I263 E285	C213-C283 HydrophobicContact CB-CB 4.07Å; C213-C283 WeakPolarHBondContact CB-SG 3.45Å; C213-C283 VanDerWaalsContact SG-CA 3.57Å; C213-C283 WeakPolarHBondContact SG-CB 3.3Å; C213-C283 CovalentContact SG-SG 2.04Å; C213-C283 PolarHBondContact SG-SG 2.89Å; A260-C283 HydrophobicContact CB-CB 4.27Å; I263-C283 WeakPolarHBondContact CD1-SG 3.26Å; C283-E285 PolarHBondContact O-N 2.9Å
284	E	70	Confident	59.4	Low	79 Å²	79	75.8 Å²	75.8	37%	0.369	41%	0.413	S	S	.	.			trans	-59.4	127	167.7	-173.2	67	-162.1	0	0	109.9	R211 N212	R211-E284 WeakPolarHBondContact CD-O 3.18Å; R211-E284 HydrophobicContact CG-CB 4.39Å; R211-E284 PolarHBondContact NE-O 3.34Å; N212-E284 PolarHBondContact O-N 2.88Å
285	E	61.1	Low	58.8	Low	146 Å²	146	74.7 Å²	74.7	68%	0.682	41%	0.409	S	S	*	.			trans	-99.5	117.7	166.7	-74.3	-176.3	178.7	0	0	108.7	C283 S287	C283-E285 PolarHBondContact O-N 2.9Å; E285-S287 VanDerWaalsContact C-N 3.27Å; E285-S287 PolarHBondContact O-N 3.42Å
286	D	52.1	Low	58.6	Low	120 Å²	120	74.3 Å²	74.3	64%	0.642	41%	0.407	S	S	*	.			trans	-67.3	87.7	173.2	-60.8	-63.3	0	0	0	109.3	R211 P288	R211-D286 IonicContact NH2-OD2 3.79Å; R211-D286 PolarHBondContact NH2-OD2 2.82Å; D286-P288 WeakPolarHBondContact O-CD 3.24Å
287	S	53.2	Low	58.3	Low	99 Å²	99	72.3 Å²	72.3	69%	0.692	40%	0.396	S	S	*	.			trans	-91.1	98.9	164.1	54.6	0	0	0	0	107.8	E285 L289	E285-S287 VanDerWaalsContact C-N 3.27Å; E285-S287 PolarHBondContact O-N 3.42Å; S287-L289 PolarHBondContact O-N 3.48Å
288	P	49.4	Very low	58	Low	60 Å²	60	72.2 Å²	72.2	39%	0.39	40%	0.399	S	S	.	.			trans	-61	130.3	174.3	24.4	-32.6	0	0	0	108.5	D286 V290 K291	D286-P288 WeakPolarHBondContact O-CD 3.24Å; P288-V290 PolarHBondContact O-N 3.33Å; P288-K291 HydrophobicContact CG-CB 4.12Å; P288-K291 HydrophobicContact CG-CD 3.73Å; P288-K291 HydrophobicContact CG-CG 3.82Å; P288-K291 PolarHBondContact O-N 3.07Å
289	L	46.2	Very low	57.9	Low	115 Å²	115	75.9 Å²	75.9	60%	0.602	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	-25.7	176.8	-166.5	74	0	0	0	113	S287 K291 D292 A295	S287-L289 PolarHBondContact O-N 3.48Å; L289-K291 VanDerWaalsContact C-N 3.33Å; L289-D292 PolarHBondContact O-N 2.94Å; L289-A295 HydrophobicContact CD1-CB 3.45Å; L289-A295 VanDerWaalsContact CD1-CB 3.45Å; L289-A295 HydrophobicContact CD2-CB 4.47Å; L289-A295 HydrophobicContact CG-CB 3.61Å
290	V	51.2	Low	57.7	Low	121 Å²	121	83.4 Å²	83.4	73%	0.733	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-24.9	177.9	-176.5	0	0	0	0	113.1	P288	P288-V290 PolarHBondContact O-N 3.33Å
291	K	44.1	Very low	57.3	Low	171 Å²	171	82 Å²	82	74%	0.743	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-15.2	174.9	-74	-175.6	-176.2	177.5	0	112.9	P288 L289 P293	P288-K291 HydrophobicContact CG-CB 4.12Å; P288-K291 HydrophobicContact CG-CD 3.73Å; P288-K291 HydrophobicContact CG-CG 3.82Å; P288-K291 PolarHBondContact O-N 3.07Å; L289-K291 VanDerWaalsContact C-N 3.33Å; K291-P293 VanDerWaalsContact O-CD 3.22Å; K291-P293 WeakPolarHBondContact O-CD 3.34Å
292	D	48.6	Very low	56.8	Low	34 Å²	34	88.3 Å²	88.3	18%	0.182	47%	0.472	C	S	.	.			trans	-74.9	111.8	178.1	179.7	4.7	0	0	0	109.8	L289 C294 A295 V296	L289-D292 PolarHBondContact O-N 2.94Å; D292-C294 PolarHBondContact O-N 3.12Å; D292-C294 VanDerWaalsContact O-N 3.17Å; D292-C294 VanDerWaalsContact OD1-CB 3.3Å; D292-C294 WeakPolarHBondContact OD1-CB 3.41Å; D292-C294 PolarHBondContact OD1-N 2.63Å; D292-A295 HydrophobicContact CB-CB 4.04Å; D292-A295 PolarHBondContact O-N 3.48Å; D292-A295 PolarHBondContact OD2-N 2.98Å; D292-V296 WeakPolarHBondContact O-CG2 3.22Å; D292-V296 PolarHBondContact O-N 2.71Å; D292-V296 VanDerWaalsContact O-N 3.15Å
293	P	49.7	Very low	56.7	Low	77 Å²	77	87.4 Å²	87.4	50%	0.5	48%	0.476	S	S	.	.	H	α-helix	trans	-56.6	-31.8	178.1	-19	31.3	0	0	0	112.1	K291 A297	K291-P293 VanDerWaalsContact O-CD 3.22Å; K291-P293 WeakPolarHBondContact O-CD 3.34Å; P293-A297 WeakPolarHBondContact O-CB 3.39Å; P293-A297 PolarHBondContact O-N 3.39Å
294	C	47.3	Very low	56.3	Low	30 Å²	30	87.8 Å²	87.8	20%	0.203	48%	0.484	C	S	.	.	H	α-helix	trans	-72	-45.7	-179.5	-98.8	0	0	0	0	112.2	D292 V296 A297 A298 D478 G479	D292-C294 PolarHBondContact O-N 3.12Å; D292-C294 VanDerWaalsContact O-N 3.17Å; D292-C294 VanDerWaalsContact OD1-CB 3.3Å; D292-C294 WeakPolarHBondContact OD1-CB 3.41Å; D292-C294 PolarHBondContact OD1-N 2.63Å; C294-V296 VanDerWaalsContact C-N 3.3Å; C294-V296 PolarHBondContact O-N 3.23Å; C294-A297 PolarHBondContact O-N 3.4Å; C294-A298 VanDerWaalsContact O-CB 3.25Å; C294-A298 WeakPolarHBondContact O-CB 3.14Å; C294-A298 PolarHBondContact O-N 2.96Å; C294-D478 PolarHBondContact SG-O 3.12Å; C294-G479 WeakPolarHBondContact SG-CA 3.29Å
295	A	49.6	Very low	56	Low	15 Å²	15	85.5 Å²	85.5	12%	0.124	48%	0.478	C	S	.	.	H	α-helix	trans	-63.6	-39.2	177	0	0	0	0	0	111.7	L289 D292 M299	L289-A295 HydrophobicContact CD1-CB 3.45Å; L289-A295 VanDerWaalsContact CD1-CB 3.45Å; L289-A295 HydrophobicContact CD2-CB 4.47Å; L289-A295 HydrophobicContact CG-CB 3.61Å; D292-A295 HydrophobicContact CB-CB 4.04Å; D292-A295 PolarHBondContact O-N 3.48Å; D292-A295 PolarHBondContact OD2-N 2.98Å; A295-M299 WeakPolarHBondContact O-CB 3.31Å; A295-M299 WeakPolarHBondContact O-CG 3.31Å; A295-M299 PolarHBondContact O-N 2.82Å
296	V	53.4	Low	56.5	Low	42 Å²	42	81.6 Å²	81.6	26%	0.255	47%	0.465	S	S	.	.	H	α-helix	trans	-65.1	-46.5	174	173.9	0	0	0	0	110.7	D292 C294 M299 Y300	D292-V296 WeakPolarHBondContact O-CG2 3.22Å; D292-V296 PolarHBondContact O-N 2.71Å; D292-V296 VanDerWaalsContact O-N 3.15Å; C294-V296 VanDerWaalsContact C-N 3.3Å; C294-V296 PolarHBondContact O-N 3.23Å; V296-M299 HydrophobicContact CG2-CE 4.47Å; V296-M299 PolarHBondContact O-N 2.87Å; V296-Y300 HydrophobicContact CG1-CD2 3.61Å; V296-Y300 HydrophobicContact CG1-CE2 3.26Å; V296-Y300 WeakPolarHBondContact O-CD2 3.49Å; V296-Y300 PolarHBondContact O-N 3.32Å
297	A	52	Low	57.3	Low	49 Å²	49	82 Å²	82	41%	0.405	46%	0.462	S	S	.	.	H	α-helix	trans	-61.2	-44.9	175.3	0	0	0	0	0	112	P293 C294 M299 Y300 V301	P293-A297 WeakPolarHBondContact O-CB 3.39Å; P293-A297 PolarHBondContact O-N 3.39Å; C294-A297 PolarHBondContact O-N 3.4Å; A297-M299 PolarHBondContact O-N 3Å; A297-Y300 CarbonylContact O-C 3.41Å; A297-Y300 PolarHBondContact O-N 3.45Å; A297-Y300 VanDerWaalsContact O-N 3.14Å; A297-V301 VanDerWaalsContact O-CG2 3.32Å; A297-V301 WeakPolarHBondContact O-CG2 3.28Å; A297-V301 PolarHBondContact O-N 3.13Å
298	A	55.3	Low	57.8	Low	60 Å²	60	79.7 Å²	79.7	50%	0.496	44%	0.44	S	S	.	.	H	α-helix	trans	-63.1	-40.8	177.1	0	0	0	0	0	111.8	C294 V301 F302	C294-A298 VanDerWaalsContact O-CB 3.25Å; C294-A298 WeakPolarHBondContact O-CB 3.14Å; C294-A298 PolarHBondContact O-N 2.96Å; A298-V301 PolarHBondContact O-N 3.24Å; A298-F302 VanDerWaalsContact O-CB 3.28Å; A298-F302 WeakPolarHBondContact O-CB 3.32Å; A298-F302 PolarHBondContact O-N 3.3Å
299	M	62.4	Low	58.5	Low	95 Å²	95	81.1 Å²	81.1	47%	0.468	44%	0.444	S	S	.	.	H	α-helix	trans	-62.2	-42.5	171.1	-81.6	-167.9	-70.7	0	0	111.5	A295 V296 A297 F302 L303	A295-M299 WeakPolarHBondContact O-CB 3.31Å; A295-M299 WeakPolarHBondContact O-CG 3.31Å; A295-M299 PolarHBondContact O-N 2.82Å; V296-M299 HydrophobicContact CG2-CE 4.47Å; V296-M299 PolarHBondContact O-N 2.87Å; A297-M299 PolarHBondContact O-N 3Å; M299-F302 PolarHBondContact O-N 3.46Å; M299-L303 VanDerWaalsContact O-CB 3.25Å; M299-L303 WeakPolarHBondContact O-CB 3.4Å; M299-L303 WeakPolarHBondContact O-CG 3.49Å; M299-L303 PolarHBondContact O-N 3.48Å
300	Y	65.3	Low	59.6	Low	169 Å²	169	82.8 Å²	82.8	66%	0.663	44%	0.442	S	S	*	.	H	α-helix	trans	-66	-38.9	175.2	-77.3	-60.2	0	0	0	112.8	V296 A297 G304	V296-Y300 HydrophobicContact CG1-CD2 3.61Å; V296-Y300 HydrophobicContact CG1-CE2 3.26Å; V296-Y300 WeakPolarHBondContact O-CD2 3.49Å; V296-Y300 PolarHBondContact O-N 3.32Å; A297-Y300 CarbonylContact O-C 3.41Å; A297-Y300 PolarHBondContact O-N 3.45Å; A297-Y300 VanDerWaalsContact O-N 3.14Å; Y300-G304 WeakPolarHBondContact O-CA 3.41Å; Y300-G304 PolarHBondContact O-N 2.89Å
301	V	61.9	Low	60.4	Low	82 Å²	82	82.2 Å²	82.2	50%	0.497	43%	0.428	S	S	.	.	H	α-helix	trans	-65.8	-42	174	175.3	0	0	0	0	110.5	A297 A298 G304 A305 C758	A297-V301 VanDerWaalsContact O-CG2 3.32Å; A297-V301 WeakPolarHBondContact O-CG2 3.28Å; A297-V301 PolarHBondContact O-N 3.13Å; A298-V301 PolarHBondContact O-N 3.24Å; V301-G304 PolarHBondContact O-N 3.38Å; V301-A305 WeakPolarHBondContact O-CB 3.42Å; V301-A305 PolarHBondContact O-N 3.2Å; V301-C758 HydrophobicContact CG1-CB 4.35Å
302	F	67.3	Low	61.1	Low	141 Å²	141	77.8 Å²	77.8	62%	0.618	41%	0.412	S	S	*	.	H	α-helix	trans	-66.9	-47.2	177.3	-177	-98.5	0	0	0	111.8	A298 M299 G304 A305 V306	A298-F302 VanDerWaalsContact O-CB 3.28Å; A298-F302 WeakPolarHBondContact O-CB 3.32Å; A298-F302 PolarHBondContact O-N 3.3Å; M299-F302 PolarHBondContact O-N 3.46Å; F302-G304 VanDerWaalsContact C-N 3.27Å; F302-G304 PolarHBondContact O-N 2.79Å; F302-A305 PolarHBondContact O-N 3.08Å; F302-V306 HydrophobicContact CD1-CG2 4.07Å; F302-V306 HydrophobicContact CE1-CG2 3.69Å; F302-V306 HydrophobicContact CE2-CG2 4.26Å; F302-V306 HydrophobicContact CZ-CG2 3.8Å; F302-V306 WeakPolarHBondContact O-CB 3.18Å; F302-V306 VanDerWaalsContact O-CG2 3.29Å; F302-V306 WeakPolarHBondContact O-CG2 2.9Å; F302-V306 PolarHBondContact O-N 2.85Å
303	L	73.8	Confident	61.9	Low	105 Å²	105	81.1 Å²	81.1	55%	0.55	43%	0.429	S	S	.	.	H	α-helix	trans	-61.9	-37.7	173.7	-72.1	171.8	0	0	0	111.1	M299 H307	M299-L303 VanDerWaalsContact O-CB 3.25Å; M299-L303 WeakPolarHBondContact O-CB 3.4Å; M299-L303 WeakPolarHBondContact O-CG 3.49Å; M299-L303 PolarHBondContact O-N 3.48Å; L303-H307 WeakPolarHBondContact O-CA 3.25Å; L303-H307 WeakPolarHBondContact O-CB 3.32Å; L303-H307 PolarHBondContact O-N 3.16Å
304	G	68	Low	62.6	Low	34 Å²	34	84.5 Å²	84.5	35%	0.351	43%	0.432	S	S	.	.	H	α-helix	trans	-61.6	-48.7	172.5	0	0	0	0	0	111.9	Y300 V301 F302 H307 Q308	Y300-G304 WeakPolarHBondContact O-CA 3.41Å; Y300-G304 PolarHBondContact O-N 2.89Å; V301-G304 PolarHBondContact O-N 3.38Å; F302-G304 VanDerWaalsContact C-N 3.27Å; F302-G304 PolarHBondContact O-N 2.79Å; G304-H307 PolarHBondContact O-N 3.14Å; G304-Q308 WeakPolarHBondContact O-CB 3.42Å; G304-Q308 PolarHBondContact O-N 3.01Å
305	A	63.7	Low	63	Low	30 Å²	30	89.7 Å²	89.7	25%	0.248	45%	0.447	C	S	.	.	H	α-helix	trans	-64.1	-43.5	177	0	0	0	0	0	111.9	V301 F302 Q308 I309	V301-A305 WeakPolarHBondContact O-CB 3.42Å; V301-A305 PolarHBondContact O-N 3.2Å; F302-A305 PolarHBondContact O-N 3.08Å; A305-Q308 PolarHBondContact O-N 3.07Å; A305-I309 WeakPolarHBondContact O-CB 3.34Å; A305-I309 WeakPolarHBondContact O-CG1 3.37Å; A305-I309 PolarHBondContact O-N 2.87Å
306	V	71.4	Confident	63.5	Low	65 Å²	65	93.9 Å²	93.9	39%	0.394	47%	0.467	S	S	.	.	H	α-helix	trans	-65.7	-44.7	175.7	171.3	0	0	0	0	110.9	F302 Q308 I309 R310	F302-V306 HydrophobicContact CD1-CG2 4.07Å; F302-V306 HydrophobicContact CE1-CG2 3.69Å; F302-V306 HydrophobicContact CE2-CG2 4.26Å; F302-V306 HydrophobicContact CZ-CG2 3.8Å; F302-V306 WeakPolarHBondContact O-CB 3.18Å; F302-V306 VanDerWaalsContact O-CG2 3.29Å; F302-V306 WeakPolarHBondContact O-CG2 2.9Å; F302-V306 PolarHBondContact O-N 2.85Å; V306-Q308 VanDerWaalsContact C-N 3.29Å; V306-Q308 PolarHBondContact O-N 3.15Å; V306-I309 PolarHBondContact O-N 3.44Å; V306-R310 WeakPolarHBondContact O-CB 3.29Å; V306-R310 PolarHBondContact O-N 2.9Å
307	H	69.7	Low	63.4	Low	127 Å²	127	99.6 Å²	99.6	59%	0.588	49%	0.488	S	S	*	.	H	α-helix	trans	-62	-39.6	175.3	-177.5	-92.6	0	0	0	110.8	L303 G304 R310 Y311	L303-H307 WeakPolarHBondContact O-CA 3.25Å; L303-H307 WeakPolarHBondContact O-CB 3.32Å; L303-H307 PolarHBondContact O-N 3.16Å; G304-H307 PolarHBondContact O-N 3.14Å; H307-R310 PolarHBondContact O-N 2.73Å; H307-Y311 WeakPolarHBondContact O-CB 3.3Å; H307-Y311 PolarHBondContact O-N 3.32Å
308	Q	62.7	Low	63.7	Low	51 Å²	51	101.4 Å²	101.4	24%	0.238	49%	0.494	C	S	.	.	H	α-helix	trans	-70.3	-42	177.8	-166.1	171.3	10	0	0	112	G304 A305 V306 R310 Y311 L312	G304-Q308 WeakPolarHBondContact O-CB 3.42Å; G304-Q308 PolarHBondContact O-N 3.01Å; A305-Q308 PolarHBondContact O-N 3.07Å; V306-Q308 VanDerWaalsContact C-N 3.29Å; V306-Q308 PolarHBondContact O-N 3.15Å; Q308-R310 VanDerWaalsContact C-N 3.35Å; Q308-Y311 PolarHBondContact O-N 2.91Å; Q308-L312 HydrophobicContact CG-CD1 4.24Å; Q308-L312 VanDerWaalsContact O-CB 3.26Å; Q308-L312 WeakPolarHBondContact O-CB 3.37Å; Q308-L312 VanDerWaalsContact O-CG 3.22Å; Q308-L312 WeakPolarHBondContact O-CG 3.34Å; Q308-L312 PolarHBondContact O-N 2.89Å
309	I	65.6	Low	63.6	Low	91 Å²	91	100.9 Å²	100.9	47%	0.467	49%	0.49	S	S	.	.	H	α-helix	trans	-60.9	-45.6	171.4	-71.1	164.7	0	0	0	109.7	A305 V306 L312 L313	A305-I309 WeakPolarHBondContact O-CB 3.34Å; A305-I309 WeakPolarHBondContact O-CG1 3.37Å; A305-I309 PolarHBondContact O-N 2.87Å; V306-I309 PolarHBondContact O-N 3.44Å; I309-L312 PolarHBondContact O-N 3.07Å; I309-L313 HydrophobicContact CG2-CD1 3.84Å; I309-L313 HydrophobicContact CG2-CG 4.34Å; I309-L313 WeakPolarHBondContact O-CB 3.4Å; I309-L313 WeakPolarHBondContact O-CG 3.39Å; I309-L313 PolarHBondContact O-N 3Å
310	R	68.7	Low	63	Low	149 Å²	149	103.1 Å²	103.1	56%	0.562	50%	0.497	S	S	*	.	H	α-helix	trans	-67	-37.5	178.9	-165.4	177.1	174.5	96.8	-5	111.8	V306 H307 Q308 R314	V306-R310 WeakPolarHBondContact O-CB 3.29Å; V306-R310 PolarHBondContact O-N 2.9Å; H307-R310 PolarHBondContact O-N 2.73Å; Q308-R310 VanDerWaalsContact C-N 3.35Å; R310-R314 WeakPolarHBondContact O-CB 3.38Å; R310-R314 VanDerWaalsContact O-CG 3.27Å; R310-R314 WeakPolarHBondContact O-CG 3.11Å; R310-R314 PolarHBondContact O-N 3.07Å
311	Y	67.7	Low	62.1	Low	109 Å²	109	102.9 Å²	102.9	43%	0.427	50%	0.499	S	S	.	.	H	α-helix	trans	-67	-44.4	174	178.4	-100	0	0	0	111.4	H307 Q308 R314 R315	H307-Y311 WeakPolarHBondContact O-CB 3.3Å; H307-Y311 PolarHBondContact O-N 3.32Å; Q308-Y311 PolarHBondContact O-N 2.91Å; Y311-R314 PolarHBondContact O-N 3.25Å; Y311-R315 HydrophobicContact CE1-CG 4.35Å; Y311-R315 WeakPolarHBondContact O-CB 2.95Å; Y311-R315 PolarHBondContact O-N 3.23Å; Y311-R315 VanDerWaalsContact OH-CZ 3.28Å; Y311-R315 PolarHBondContact OH-NE 2.85Å; Y311-R315 PolarHBondContact OH-NH2 3.21Å
312	L	59	Low	61.4	Low	78 Å²	78	102 Å²	102	41%	0.408	49%	0.494	S	S	.	.	H	α-helix	trans	-63	-44.6	174.4	-76.7	166.1	0	0	0	111.1	Q308 I309 R314 R315 L316	Q308-L312 HydrophobicContact CG-CD1 4.24Å; Q308-L312 VanDerWaalsContact O-CB 3.26Å; Q308-L312 WeakPolarHBondContact O-CB 3.37Å; Q308-L312 VanDerWaalsContact O-CG 3.22Å; Q308-L312 WeakPolarHBondContact O-CG 3.34Å; Q308-L312 PolarHBondContact O-N 2.89Å; I309-L312 PolarHBondContact O-N 3.07Å; L312-R314 PolarHBondContact O-N 3.16Å; L312-R315 CarbonylContact O-C 3.59Å; L312-R315 PolarHBondContact O-N 2.89Å; L312-L316 WeakPolarHBondContact O-CB 3.33Å; L312-L316 PolarHBondContact O-N 3.42Å
313	L	64.7	Low	60.5	Low	105 Å²	105	100.5 Å²	100.5	55%	0.55	49%	0.492	S	S	.	.	H	α-helix	trans	-64.3	-38.4	175.3	-73	171.1	0	0	0	112.1	I309 L316 K317	I309-L313 HydrophobicContact CG2-CD1 3.84Å; I309-L313 HydrophobicContact CG2-CG 4.34Å; I309-L313 WeakPolarHBondContact O-CB 3.4Å; I309-L313 WeakPolarHBondContact O-CG 3.39Å; I309-L313 PolarHBondContact O-N 3Å; L313-L316 PolarHBondContact O-N 3.22Å; L313-K317 WeakPolarHBondContact O-CB 3.23Å; L313-K317 WeakPolarHBondContact O-CG 3.46Å; L313-K317 PolarHBondContact O-N 2.88Å
314	R	64.5	Low	58.9	Low	148 Å²	148	98.7 Å²	98.7	56%	0.558	49%	0.486	S	S	*	.	H	α-helix	trans	-65.3	-44	173.3	-80.1	176.6	177	-176.9	-2.8	111.4	R310 Y311 L312 K317 V318	R310-R314 WeakPolarHBondContact O-CB 3.38Å; R310-R314 VanDerWaalsContact O-CG 3.27Å; R310-R314 WeakPolarHBondContact O-CG 3.11Å; R310-R314 PolarHBondContact O-N 3.07Å; Y311-R314 PolarHBondContact O-N 3.25Å; L312-R314 PolarHBondContact O-N 3.16Å; R314-K317 WeakPolarHBondContact O-CB 3.48Å; R314-K317 PolarHBondContact O-N 2.98Å; R314-V318 WeakPolarHBondContact O-CG2 3.39Å; R314-V318 PolarHBondContact O-N 3.39Å
315	R	57.1	Low	57.3	Low	138 Å²	138	104.7 Å²	104.7	52%	0.521	51%	0.505	S	S	.	.	H	α-helix	trans	-69.8	-32.8	175.6	-87.1	-151.4	-179.5	-152.5	1.9	112.9	Y311 L312 K317 V318 A319	Y311-R315 HydrophobicContact CE1-CG 4.35Å; Y311-R315 WeakPolarHBondContact O-CB 2.95Å; Y311-R315 PolarHBondContact O-N 3.23Å; Y311-R315 VanDerWaalsContact OH-CZ 3.28Å; Y311-R315 PolarHBondContact OH-NE 2.85Å; Y311-R315 PolarHBondContact OH-NH2 3.21Å; L312-R315 CarbonylContact O-C 3.59Å; L312-R315 PolarHBondContact O-N 2.89Å; R315-K317 VanDerWaalsContact C-N 3.33Å; R315-V318 PolarHBondContact O-N 3.41Å; R315-A319 WeakPolarHBondContact O-CB 3.26Å; R315-A319 PolarHBondContact O-N 3.33Å
316	L	58.6	Low	56.1	Low	104 Å²	104	112 Å²	112	55%	0.545	53%	0.532	S	S	.	.	H	α-helix	trans	-66.8	-39.8	172.7	-140.8	111.3	0	0	0	109.8	L312 L313 A319 F320	L312-L316 WeakPolarHBondContact O-CB 3.33Å; L312-L316 PolarHBondContact O-N 3.42Å; L313-L316 PolarHBondContact O-N 3.22Å; L316-A319 PolarHBondContact O-N 3.28Å; L316-F320 HydrophobicContact CD2-CD2 4.01Å; L316-F320 HydrophobicContact CD2-CE2 3.96Å; L316-F320 HydrophobicContact CG-CD2 4.45Å; L316-F320 VanDerWaalsContact O-CB 3.29Å; L316-F320 WeakPolarHBondContact O-CB 3.38Å; L316-F320 WeakPolarHBondContact O-CD2 3.26Å; L316-F320 PolarHBondContact O-N 3.35Å
317	K	52.4	Low	54.3	Low	162 Å²	162	112.5 Å²	112.5	70%	0.704	54%	0.538	S	S	*	.	H	α-helix	trans	-63.9	-42.1	171.5	-79.2	-177.2	178.9	-173.3	0	112.4	L313 R314 R315 F320 K321	L313-K317 WeakPolarHBondContact O-CB 3.23Å; L313-K317 WeakPolarHBondContact O-CG 3.46Å; L313-K317 PolarHBondContact O-N 2.88Å; R314-K317 WeakPolarHBondContact O-CB 3.48Å; R314-K317 PolarHBondContact O-N 2.98Å; R315-K317 VanDerWaalsContact C-N 3.33Å; K317-F320 CarbonylContact O-C 3.58Å; K317-F320 PolarHBondContact O-N 3.09Å; K317-K321 VanDerWaalsContact O-CB 3.31Å; K317-K321 WeakPolarHBondContact O-CB 3.44Å; K317-K321 PolarHBondContact O-N 2.98Å
318	V	58.6	Low	52.8	Low	86 Å²	86	114.2 Å²	114.2	52%	0.521	55%	0.548	S	S	.	.	H	α-helix	trans	-66.9	-43	174.8	173.2	0	0	0	0	110.5	R314 R315 F320 K321 V322	R314-V318 WeakPolarHBondContact O-CG2 3.39Å; R314-V318 PolarHBondContact O-N 3.39Å; R315-V318 PolarHBondContact O-N 3.41Å; V318-F320 VanDerWaalsContact C-N 3.32Å; V318-F320 PolarHBondContact O-N 2.88Å; V318-K321 CarbonylContact O-C 3.53Å; V318-K321 WeakPolarHBondContact O-CA 3.17Å; V318-K321 WeakPolarHBondContact O-CB 3.41Å; V318-K321 PolarHBondContact O-N 3.31Å; V318-V322 HydrophobicContact CG1-CG2 4.06Å; V318-V322 WeakPolarHBondContact O-CB 3.31Å; V318-V322 WeakPolarHBondContact O-CG2 3.33Å; V318-V322 PolarHBondContact O-N 2.02Å
319	A	51.5	Low	51.3	Low	49 Å²	49	119.3 Å²	119.3	41%	0.405	58%	0.578	S	S	.	*	H	α-helix	trans	-60.3	-42	173.4	0	0	0	0	0	111	R315 L316 K321 V322 L323	R315-A319 WeakPolarHBondContact O-CB 3.26Å; R315-A319 PolarHBondContact O-N 3.33Å; L316-A319 PolarHBondContact O-N 3.28Å; A319-K321 VanDerWaalsContact C-N 3.27Å; A319-K321 PolarHBondContact O-N 2.71Å; A319-V322 PolarHBondContact O-N 2.72Å; A319-L323 WeakPolarHBondContact O-CB 3.22Å; A319-L323 WeakPolarHBondContact O-CD1 3.25Å; A319-L323 WeakPolarHBondContact O-CG 3.49Å; A319-L323 PolarHBondContact O-N 3.11Å
320	F	50	Low	49.9	Very low	142 Å²	142	120 Å²	120	62%	0.623	59%	0.585	S	S	*	*	H	α-helix	trans	-71.1	-14.3	171.1	-97.3	-83.5	0	0	0	114.3	L316 K317 V318 L323 P324	L316-F320 HydrophobicContact CD2-CD2 4.01Å; L316-F320 HydrophobicContact CD2-CE2 3.96Å; L316-F320 HydrophobicContact CG-CD2 4.45Å; L316-F320 VanDerWaalsContact O-CB 3.29Å; L316-F320 WeakPolarHBondContact O-CB 3.38Å; L316-F320 WeakPolarHBondContact O-CD2 3.26Å; L316-F320 PolarHBondContact O-N 3.35Å; K317-F320 CarbonylContact O-C 3.58Å; K317-F320 PolarHBondContact O-N 3.09Å; V318-F320 VanDerWaalsContact C-N 3.32Å; V318-F320 PolarHBondContact O-N 2.88Å; F320-L323 HydrophobicContact CD1-CD1 4.44Å; F320-L323 HydrophobicContact CG-CD1 4.35Å; F320-P324 WeakPolarHBondContact O-CD 3.1Å; F320-P324 WeakPolarHBondContact O-CG 3.22Å
321	K	46.7	Very low	48.5	Very low	164 Å²	164	119.2 Å²	119.2	71%	0.713	60%	0.597	S	S	*	*	H	α-helix	trans	-94.8	-20.3	172.8	-128.8	-178.7	-178.7	-171.4	0	112.7	K317 V318 A319 P324	K317-K321 VanDerWaalsContact O-CB 3.31Å; K317-K321 WeakPolarHBondContact O-CB 3.44Å; K317-K321 PolarHBondContact O-N 2.98Å; V318-K321 CarbonylContact O-C 3.53Å; V318-K321 WeakPolarHBondContact O-CA 3.17Å; V318-K321 WeakPolarHBondContact O-CB 3.41Å; V318-K321 PolarHBondContact O-N 3.31Å; A319-K321 VanDerWaalsContact C-N 3.27Å; A319-K321 PolarHBondContact O-N 2.71Å; K321-P324 VanDerWaalsContact O-CD 3.24Å; K321-P324 WeakPolarHBondContact O-CD 3.26Å
322	V	48.7	Very low	47.2	Very low	63 Å²	63	121.1 Å²	121.1	38%	0.382	62%	0.615	S	S	.	*	H	α-helix	trans	-90.4	-31.7	172.6	175.6	0	0	0	0	110.1	V318 A319 P324 Q325 F326	V318-V322 HydrophobicContact CG1-CG2 4.06Å; V318-V322 WeakPolarHBondContact O-CB 3.31Å; V318-V322 WeakPolarHBondContact O-CG2 3.33Å; V318-V322 PolarHBondContact O-N 2.02Å; A319-V322 PolarHBondContact O-N 2.72Å; V322-P324 VanDerWaalsContact C-N 3.35Å; V322-Q325 WeakPolarHBondContact O-CB 3.25Å; V322-Q325 PolarHBondContact O-N 3.19Å; V322-F326 HydrophobicContact CG1-CD2 4.43Å; V322-F326 PolarHBondContact O-N 2.97Å
323	L	47.1	Very low	46.4	Very low	110 Å²	110	121.2 Å²	121.2	58%	0.576	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.6	-34.5	171.8	-86.7	160.9	0	0	0	114.5	A319 F320	A319-L323 WeakPolarHBondContact O-CB 3.22Å; A319-L323 WeakPolarHBondContact O-CD1 3.25Å; A319-L323 WeakPolarHBondContact O-CG 3.49Å; A319-L323 PolarHBondContact O-N 3.11Å; F320-L323 HydrophobicContact CD1-CD1 4.44Å; F320-L323 HydrophobicContact CG-CD1 4.35Å
324	P	40.4	Very low	45.9	Very low	67 Å²	67	122.9 Å²	122.9	44%	0.435	63%	0.625	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.4	-14.1	173.3	4	17.3	0	0	0	112.5	F320 K321 V322 F326 S327	F320-P324 WeakPolarHBondContact O-CD 3.1Å; F320-P324 WeakPolarHBondContact O-CG 3.22Å; K321-P324 VanDerWaalsContact O-CD 3.24Å; K321-P324 WeakPolarHBondContact O-CD 3.26Å; V322-P324 VanDerWaalsContact C-N 3.35Å; P324-F326 VanDerWaalsContact C-N 3.28Å; P324-S327 VanDerWaalsContact CA-OG 3.29Å; P324-S327 WeakPolarHBondContact CA-OG 3.48Å; P324-S327 CarbonylContact O-C 3.48Å; P324-S327 PolarHBondContact O-N 3.04Å; P324-S327 PolarHBondContact O-OG 3.5Å
325	Q	35.3	Very low	45.6	Very low	160 Å²	160	122.7 Å²	122.7	75%	0.748	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	-18.4	173.8	-121	171.9	-14.7	0	0	111.9	V322 S327	V322-Q325 WeakPolarHBondContact O-CB 3.25Å; V322-Q325 PolarHBondContact O-N 3.19Å; Q325-S327 VanDerWaalsContact C-N 3.29Å
326	F	38.1	Very low	45.4	Very low	185 Å²	185	124.1 Å²	124.1	81%	0.811	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	3.7	162.1	-91.4	-83.9	0	0	0	113.5	V322 P324	V322-F326 HydrophobicContact CG1-CD2 4.43Å; V322-F326 PolarHBondContact O-N 2.97Å; P324-F326 VanDerWaalsContact C-N 3.28Å
327	S	34.2	Very low	45	Very low	75 Å²	75	123.9 Å²	123.9	52%	0.524	64%	0.639	S	S	.	*	S	Bend	trans	-122.7	47.3	-178.4	86.3	0	0	0	0	112.8	P324 Q325	P324-S327 VanDerWaalsContact CA-OG 3.29Å; P324-S327 WeakPolarHBondContact CA-OG 3.48Å; P324-S327 CarbonylContact O-C 3.48Å; P324-S327 PolarHBondContact O-N 3.04Å; P324-S327 PolarHBondContact O-OG 3.5Å; Q325-S327 VanDerWaalsContact C-N 3.29Å
328	M	38.1	Very low	44.9	Very low	162 Å²	162	125.2 Å²	125.2	80%	0.798	64%	0.64	S	S	*	*	S	Bend	trans	-151.3	134.2	144.4	-72.5	-152.1	-65.5	0	0	106.1
329	D	30.8	Very low	44.8	Very low	159 Å²	159	127.6 Å²	127.6	85%	0.85	64%	0.643	S	S	*	*			trans	92.1	60	-176.6	-49.7	-18.8	0	0	0	116.2
330	V	36.1	Very low	44.9	Very low	104 Å²	104	127.3 Å²	127.3	63%	0.63	64%	0.641	S	S	*	*			trans	-144.3	79.5	145.5	-170.6	0	0	0	0	109.2	D333	V330-D333 HydrophobicContact CG1-CB 3.72Å
331	V	39.2	Very low	45	Very low	133 Å²	133	125.3 Å²	125.3	81%	0.806	64%	0.636	S	S	*	*	S	Bend	trans	-86.1	117.5	151.4	173	0	0	0	0	105
332	N	41.3	Very low	45.4	Very low	149 Å²	149	119.9 Å²	119.9	80%	0.797	62%	0.623	S	S	*	*			trans	65.8	80.4	175.7	-57.5	-15.2	0	0	0	116.6
333	D	40.7	Very low	45.5	Very low	80 Å²	80	123.6 Å²	123.6	43%	0.428	64%	0.636	S	S	.	*			trans	-120.5	130.2	150.4	-91.4	-24.8	0	0	0	109.3	V330 Q337	V330-D333 HydrophobicContact CG1-CB 3.72Å; D333-Q337 HydrophobicContact CB-CB 4.15Å; D333-Q337 HydrophobicContact CB-CG 4.25Å
334	D	54.4	Low	46	Very low	140 Å²	140	122 Å²	122	75%	0.749	63%	0.631	S	S	*	*			trans	-61.6	153.9	-177.7	-73.3	-46.1	0	0	0	112.7	E336 Q337	D334-E336 PolarHBondContact O-N 3.41Å; D334-Q337 VanDerWaalsContact O-CB 3.3Å; D334-Q337 WeakPolarHBondContact O-CB 3.37Å; D334-Q337 PolarHBondContact O-N 3.46Å
335	E	57.6	Low	46.6	Very low	145 Å²	145	121.5 Å²	121.5	68%	0.678	63%	0.632	S	S	*	*	H	α-helix	trans	-56.4	-24.5	-172.7	-160.8	177.8	171	0	0	114.2	R338 K339	E335-R338 PolarHBondContact O-N 3.48Å; E335-K339 PolarHBondContact O-N 3.09Å
336	E	53.9	Low	47.4	Very low	167 Å²	167	119.3 Å²	119.3	78%	0.78	63%	0.625	S	S	*	*	H	α-helix	trans	-67.4	-40.1	173.6	-108.7	175.9	171.3	0	0	112.8	D334 R338 K339 A340	D334-E336 PolarHBondContact O-N 3.41Å; E336-R338 VanDerWaalsContact C-N 3.27Å; E336-R338 PolarHBondContact O-N 2.93Å; E336-K339 PolarHBondContact O-N 3.1Å; E336-K339 VanDerWaalsContact O-N 3.16Å; E336-A340 PolarHBondContact O-N 3.07Å
337	Q	49.9	Very low	47.8	Very low	99 Å²	99	113.3 Å²	113.3	46%	0.463	61%	0.609	S	S	.	*	H	α-helix	trans	-63.5	-36	177.4	-155.5	99.4	-32.4	0	0	110.8	D333 D334 A340 N341	D333-Q337 HydrophobicContact CB-CB 4.15Å; D333-Q337 HydrophobicContact CB-CG 4.25Å; D334-Q337 VanDerWaalsContact O-CB 3.3Å; D334-Q337 WeakPolarHBondContact O-CB 3.37Å; D334-Q337 PolarHBondContact O-N 3.46Å; Q337-A340 PolarHBondContact O-N 2.93Å; Q337-N341 WeakPolarHBondContact O-CB 3.31Å; Q337-N341 PolarHBondContact O-N 3.36Å; Q337-N341 PolarHBondContact O-ND2 3.23Å
338	R	51	Low	48.5	Very low	190 Å²	190	115.6 Å²	115.6	72%	0.717	61%	0.612	S	S	*	*	H	α-helix	trans	-64.1	-41.1	174.5	-74.4	-176.7	176.2	-176.1	-0.5	112.5	E335 E336 A342	E335-R338 PolarHBondContact O-N 3.48Å; E336-R338 VanDerWaalsContact C-N 3.27Å; E336-R338 PolarHBondContact O-N 2.93Å; R338-A342 WeakPolarHBondContact O-CB 3.44Å; R338-A342 PolarHBondContact O-N 2.96Å
339	K	56.4	Low	49	Very low	136 Å²	136	116.6 Å²	116.6	59%	0.591	61%	0.607	S	S	*	*	H	α-helix	trans	-68.2	-40.8	177.2	-71.7	178.4	-176.2	168.2	0	111.2	E335 E336 A342 Q343	E335-K339 PolarHBondContact O-N 3.09Å; E336-K339 PolarHBondContact O-N 3.1Å; E336-K339 VanDerWaalsContact O-N 3.16Å; K339-A342 PolarHBondContact O-N 3.3Å; K339-Q343 WeakPolarHBondContact O-CB 3.49Å; K339-Q343 WeakPolarHBondContact O-CG 3.35Å; K339-Q343 PolarHBondContact O-N 3.01Å
340	A	54	Low	49.9	Very low	43 Å²	43	110.6 Å²	110.6	36%	0.355	58%	0.582	S	S	.	*	H	α-helix	trans	-62.3	-47.6	175.2	0	0	0	0	0	111.6	E336 Q337 A342 Q343 V344	E336-A340 PolarHBondContact O-N 3.07Å; Q337-A340 PolarHBondContact O-N 2.93Å; A340-A342 VanDerWaalsContact C-N 3.33Å; A340-A342 PolarHBondContact O-N 3.46Å; A340-Q343 PolarHBondContact O-N 2.99Å; A340-Q343 VanDerWaalsContact O-N 3.13Å; A340-V344 WeakPolarHBondContact O-CG2 3.12Å; A340-V344 PolarHBondContact O-N 3.24Å
341	N	50.9	Low	50.5	Low	100 Å²	100	110.3 Å²	110.3	54%	0.535	58%	0.581	S	S	.	*	H	α-helix	trans	-63.8	-37.1	177.8	-70.6	-15.9	0	0	0	112.3	Q337 A345	Q337-N341 WeakPolarHBondContact O-CB 3.31Å; Q337-N341 PolarHBondContact O-N 3.36Å; Q337-N341 PolarHBondContact O-ND2 3.23Å; N341-A345 VanDerWaalsContact O-CB 3.31Å; N341-A345 WeakPolarHBondContact O-CB 3.22Å; N341-A345 PolarHBondContact O-N 3.36Å
342	A	55.2	Low	50.7	Low	51 Å²	51	111.3 Å²	111.3	42%	0.421	57%	0.571	S	S	.	*	H	α-helix	trans	-66	-39.1	173.5	0	0	0	0	0	112.2	R338 K339 A340 L346	R338-A342 WeakPolarHBondContact O-CB 3.44Å; R338-A342 PolarHBondContact O-N 2.96Å; K339-A342 PolarHBondContact O-N 3.3Å; A340-A342 VanDerWaalsContact C-N 3.33Å; A340-A342 PolarHBondContact O-N 3.46Å; A342-L346 WeakPolarHBondContact O-CB 3.46Å; A342-L346 WeakPolarHBondContact O-CD1 3.19Å; A342-L346 WeakPolarHBondContact O-CG 3.45Å; A342-L346 PolarHBondContact O-N 2.82Å
343	Q	51.8	Low	51.2	Low	140 Å²	140	108.8 Å²	108.8	65%	0.654	56%	0.557	S	S	*	*	H	α-helix	trans	-68	-41.1	175	-81.6	-179.8	-30.4	0	0	112.4	K339 A340 L346 A347	K339-Q343 WeakPolarHBondContact O-CB 3.49Å; K339-Q343 WeakPolarHBondContact O-CG 3.35Å; K339-Q343 PolarHBondContact O-N 3.01Å; A340-Q343 PolarHBondContact O-N 2.99Å; A340-Q343 VanDerWaalsContact O-N 3.13Å; Q343-L346 PolarHBondContact O-N 3.49Å; Q343-A347 WeakPolarHBondContact O-CB 3.44Å; Q343-A347 PolarHBondContact O-N 3.4Å
344	V	56.3	Low	51.7	Low	78 Å²	78	111.9 Å²	111.9	47%	0.473	57%	0.574	S	S	.	*	H	α-helix	trans	-64.2	-45	174.8	174.5	0	0	0	0	110.4	A340 L346 A347 E348	A340-V344 WeakPolarHBondContact O-CG2 3.12Å; A340-V344 PolarHBondContact O-N 3.24Å; V344-L346 VanDerWaalsContact C-N 3.28Å; V344-L346 PolarHBondContact O-N 2.91Å; V344-A347 PolarHBondContact O-N 3.23Å; V344-A347 VanDerWaalsContact O-N 3.14Å; V344-E348 HydrophobicContact CG1-CG 4.37Å; V344-E348 WeakPolarHBondContact O-CB 3.32Å; V344-E348 WeakPolarHBondContact O-CG 3.4Å; V344-E348 PolarHBondContact O-N 3.4Å
345	A	53.5	Low	52.4	Low	56 Å²	56	108 Å²	108	46%	0.463	55%	0.553	S	S	.	*	H	α-helix	trans	-62.7	-33.4	175.3	0	0	0	0	0	112.8	N341 R349	N341-A345 VanDerWaalsContact O-CB 3.31Å; N341-A345 WeakPolarHBondContact O-CB 3.22Å; N341-A345 PolarHBondContact O-N 3.36Å; A345-R349 WeakPolarHBondContact O-CB 3.31Å; A345-R349 PolarHBondContact O-N 3.09Å
346	L	52.4	Low	53.1	Low	114 Å²	114	108.5 Å²	108.5	60%	0.597	55%	0.549	S	S	*	.	H	α-helix	trans	-71.8	-38.6	172.6	-87	157.1	0	0	0	112.3	A342 Q343 V344 R349 G350	A342-L346 WeakPolarHBondContact O-CB 3.46Å; A342-L346 WeakPolarHBondContact O-CD1 3.19Å; A342-L346 WeakPolarHBondContact O-CG 3.45Å; A342-L346 PolarHBondContact O-N 2.82Å; Q343-L346 PolarHBondContact O-N 3.49Å; V344-L346 VanDerWaalsContact C-N 3.28Å; V344-L346 PolarHBondContact O-N 2.91Å; L346-R349 VanDerWaalsContact O-CB 3.31Å; L346-R349 WeakPolarHBondContact O-CB 3.45Å; L346-R349 PolarHBondContact O-N 2.98Å; L346-G350 PolarHBondContact O-N 3.24Å
347	A	47	Very low	54.2	Low	59 Å²	59	106.3 Å²	106.3	49%	0.488	54%	0.536	S	S	.	.	H	α-helix	trans	-71.2	-39.1	177.7	0	0	0	0	0	112.4	Q343 V344 R349 G350 T351	Q343-A347 WeakPolarHBondContact O-CB 3.44Å; Q343-A347 PolarHBondContact O-N 3.4Å; V344-A347 PolarHBondContact O-N 3.23Å; V344-A347 VanDerWaalsContact O-N 3.14Å; A347-R349 VanDerWaalsContact C-N 3.32Å; A347-G350 PolarHBondContact O-N 2.96Å; A347-T351 PolarHBondContact O-N 3.03Å; A347-T351 PolarHBondContact O-OG1 2.98Å
348	E	47.7	Very low	55.3	Low	122 Å²	122	106 Å²	106	57%	0.57	53%	0.532	S	S	*	.	H	α-helix	trans	-65	-36.1	169.4	-74.1	-173.9	169.2	0	0	111.3	V344 G350 T351 Y352	V344-E348 HydrophobicContact CG1-CG 4.37Å; V344-E348 WeakPolarHBondContact O-CB 3.32Å; V344-E348 WeakPolarHBondContact O-CG 3.4Å; V344-E348 PolarHBondContact O-N 3.4Å; E348-G350 VanDerWaalsContact C-N 3.34Å; E348-T351 WeakPolarHBondContact CA-OG1 3.13Å; E348-T351 PolarHBondContact O-OG1 2.98Å; E348-T351 VanDerWaalsContact O-OG1 3.13Å; E348-Y352 WeakPolarHBondContact O-CD2 3.25Å; E348-Y352 PolarHBondContact O-N 3.48Å
349	R	49.3	Very low	56.3	Low	184 Å²	184	97.5 Å²	97.5	69%	0.694	50%	0.501	S	S	*	.	H	α-helix	trans	-61.9	-42.3	169.9	-126.7	177.8	-167.6	179.7	5.6	112	A345 L346 A347 L353	A345-R349 WeakPolarHBondContact O-CB 3.31Å; A345-R349 PolarHBondContact O-N 3.09Å; L346-R349 VanDerWaalsContact O-CB 3.31Å; L346-R349 WeakPolarHBondContact O-CB 3.45Å; L346-R349 PolarHBondContact O-N 2.98Å; A347-R349 VanDerWaalsContact C-N 3.32Å; R349-L353 WeakPolarHBondContact O-CB 3.46Å; R349-L353 WeakPolarHBondContact O-CD1 3.49Å; R349-L353 WeakPolarHBondContact O-CG 3.33Å; R349-L353 PolarHBondContact O-N 3.47Å; R349-L353 VanDerWaalsContact O-N 3.17Å
350	G	49.2	Very low	57.2	Low	33 Å²	33	92.9 Å²	92.9	34%	0.34	49%	0.485	S	S	.	.	H	α-helix	trans	-65	-43.3	-179.8	0	0	0	0	0	113	L346 A347 E348 L353	L346-G350 PolarHBondContact O-N 3.24Å; A347-G350 PolarHBondContact O-N 2.96Å; E348-G350 VanDerWaalsContact C-N 3.34Å; G350-L353 WeakPolarHBondContact O-CB 3.47Å; G350-L353 PolarHBondContact O-N 3.44Å
351	T	48.3	Very low	58.4	Low	97 Å²	97	95.6 Å²	95.6	60%	0.595	49%	0.493	S	S	*	.	H	α-helix	trans	-69.4	-33.1	179	41.3	0	0	0	0	113.5	A347 E348	A347-T351 PolarHBondContact O-N 3.03Å; A347-T351 PolarHBondContact O-OG1 2.98Å; E348-T351 WeakPolarHBondContact CA-OG1 3.13Å; E348-T351 PolarHBondContact O-OG1 2.98Å; E348-T351 VanDerWaalsContact O-OG1 3.13Å
352	Y	45.1	Very low	59.7	Low	155 Å²	155	95.2 Å²	95.2	61%	0.608	49%	0.49	S	S	*	.	H	α-helix	trans	-77.4	-19.4	172.6	-90.2	-84.9	0	0	0	114.1	E348 D354 Y358	E348-Y352 WeakPolarHBondContact O-CD2 3.25Å; E348-Y352 PolarHBondContact O-N 3.48Å; Y352-D354 VanDerWaalsContact C-N 3.34Å; Y352-Y358 HydrophobicContact CD1-CE1 4.46Å; Y352-Y358 HydrophobicContact CD1-CE2 4.46Å
353	L	49.8	Very low	60.8	Low	95 Å²	95	92.8 Å²	92.8	50%	0.497	47%	0.47	S	S	.	.	H	α-helix	trans	-72.9	-26.9	176.7	-95.5	155.5	0	0	0	112.5	R349 G350 S359	R349-L353 WeakPolarHBondContact O-CB 3.46Å; R349-L353 WeakPolarHBondContact O-CD1 3.49Å; R349-L353 WeakPolarHBondContact O-CG 3.33Å; R349-L353 PolarHBondContact O-N 3.47Å; R349-L353 VanDerWaalsContact O-N 3.17Å; G350-L353 WeakPolarHBondContact O-CB 3.47Å; G350-L353 PolarHBondContact O-N 3.44Å; L353-S359 PolarHBondContact O-OG 3.35Å; L353-S359 VanDerWaalsContact O-OG 3.13Å
354	D	53.1	Low	62.3	Low	145 Å²	145	89.8 Å²	89.8	78%	0.775	46%	0.455	S	S	*	.	S	Bend	trans	-74.8	-19.6	-178	-84	-15.2	0	0	0	114.3	Y352 W356	Y352-D354 VanDerWaalsContact C-N 3.34Å; D354-W356 PolarHBondContact O-N 3.2Å; D354-W356 VanDerWaalsContact O-N 3.11Å
355	D	68	Low	63.6	Low	59 Å²	59	87 Å²	87	32%	0.316	44%	0.439	S	S	.	.			trans	-78.3	104.9	172.9	-174	7.4	0	0	0	109.9	K357 Y358 S359	D355-K357 PolarHBondContact O-N 3.44Å; D355-K357 PolarHBondContact OD1-N 3.33Å; D355-Y358 HydrophobicContact CB-CD2 3.74Å; D355-Y358 HydrophobicContact CB-CE2 4.35Å; D355-Y358 PolarHBondContact O-N 2.72Å; D355-Y358 WeakPolarHBondContact OD2-CD2 3.39Å; D355-Y358 VanDerWaalsContact OD2-CE2 3.27Å; D355-Y358 WeakPolarHBondContact OD2-CE2 3.44Å; D355-S359 PolarHBondContact O-N 3.43Å; D355-S359 VanDerWaalsContact O-N 3.17Å
356	W	72.4	Confident	64.9	Low	156 Å²	156	86 Å²	86	59%	0.591	43%	0.43	S	S	*	.	H	α-helix	trans	-49.4	-30.1	-179.6	72.4	-87.8	0	0	0	112.6	D354 S359 V360	D354-W356 PolarHBondContact O-N 3.2Å; D354-W356 VanDerWaalsContact O-N 3.11Å; W356-S359 WeakPolarHBondContact O-CB 3.38Å; W356-S359 PolarHBondContact O-N 3.4Å; W356-V360 HydrophobicContact CE3-CG2 4Å; W356-V360 HydrophobicContact CZ3-CG2 4.38Å; W356-V360 VanDerWaalsContact O-CG2 3.28Å; W356-V360 WeakPolarHBondContact O-CG2 3.48Å; W356-V360 PolarHBondContact O-N 3.29Å
357	K	76	Confident	66.4	Low	120 Å²	120	88.4 Å²	88.4	52%	0.522	43%	0.433	S	S	.	.	H	α-helix	trans	-64.2	-47.9	177.6	-65.2	178.9	-178.3	173.7	0	112.4	D355 S359 V360 L361	D355-K357 PolarHBondContact O-N 3.44Å; D355-K357 PolarHBondContact OD1-N 3.33Å; K357-S359 VanDerWaalsContact C-N 3.3Å; K357-V360 PolarHBondContact O-N 3.07Å; K357-L361 WeakPolarHBondContact O-CG 3.3Å; K357-L361 PolarHBondContact O-N 2.64Å
358	Y	74.6	Confident	68	Low	92 Å²	92	88.4 Å²	88.4	36%	0.361	43%	0.427	S	S	.	.	H	α-helix	trans	-65.8	-38.5	176.1	-73	-90.2	0	0	0	110.9	Y352 D355 L361 L362	Y352-Y358 HydrophobicContact CD1-CE1 4.46Å; Y352-Y358 HydrophobicContact CD1-CE2 4.46Å; D355-Y358 HydrophobicContact CB-CD2 3.74Å; D355-Y358 HydrophobicContact CB-CE2 4.35Å; D355-Y358 PolarHBondContact O-N 2.72Å; D355-Y358 WeakPolarHBondContact OD2-CD2 3.39Å; D355-Y358 VanDerWaalsContact OD2-CE2 3.27Å; D355-Y358 WeakPolarHBondContact OD2-CE2 3.44Å; Y358-L361 PolarHBondContact O-N 2.91Å; Y358-L362 WeakPolarHBondContact O-CB 3.46Å; Y358-L362 WeakPolarHBondContact O-CG 3.48Å; Y358-L362 PolarHBondContact O-N 3.44Å
359	S	71.2	Confident	69.7	Low	12 Å²	12	82.6 Å²	82.6	8%	0.084	40%	0.4	C	S	.	.	H	α-helix	trans	-60.5	-46	175.4	-86.8	0	0	0	0	112.1	L353 D355 W356 K357 L362 S363 R769	L353-S359 PolarHBondContact O-OG 3.35Å; L353-S359 VanDerWaalsContact O-OG 3.13Å; D355-S359 PolarHBondContact O-N 3.43Å; D355-S359 VanDerWaalsContact O-N 3.17Å; W356-S359 WeakPolarHBondContact O-CB 3.38Å; W356-S359 PolarHBondContact O-N 3.4Å; K357-S359 VanDerWaalsContact C-N 3.3Å; S359-L362 PolarHBondContact O-N 2.92Å; S359-S363 PolarHBondContact O-N 3.34Å; S359-S363 PolarHBondContact O-OG 3.16Å; S359-R769 PolarHBondContact O-NH1 3.13Å
360	V	76	Confident	71.4	Confident	39 Å²	39	77.7 Å²	77.7	24%	0.236	39%	0.386	C	S	.	.	H	α-helix	trans	-61.6	-46.6	174	171	0	0	0	0	110.7	W356 K357 L362 S363 F364	W356-V360 HydrophobicContact CE3-CG2 4Å; W356-V360 HydrophobicContact CZ3-CG2 4.38Å; W356-V360 VanDerWaalsContact O-CG2 3.28Å; W356-V360 WeakPolarHBondContact O-CG2 3.48Å; W356-V360 PolarHBondContact O-N 3.29Å; K357-V360 PolarHBondContact O-N 3.07Å; V360-L362 VanDerWaalsContact C-N 3.31Å; V360-L362 PolarHBondContact O-N 2.97Å; V360-S363 VanDerWaalsContact O-CB 3.24Å; V360-S363 WeakPolarHBondContact O-CB 3.46Å; V360-S363 PolarHBondContact O-N 3.48Å; V360-F364 HydrophobicContact CG1-CD2 4.44Å; V360-F364 HydrophobicContact CG1-CE2 4.02Å; V360-F364 VanDerWaalsContact O-CD2 3.32Å; V360-F364 WeakPolarHBondContact O-CD2 3.21Å
361	L	78.1	Confident	73.1	Confident	101 Å²	101	83.9 Å²	83.9	53%	0.529	40%	0.4	S	S	.	.	H	α-helix	trans	-59.3	-39	178.5	-75	166.3	0	0	0	113.1	K357 Y358 S363 F364	K357-L361 WeakPolarHBondContact O-CG 3.3Å; K357-L361 PolarHBondContact O-N 2.64Å; Y358-L361 PolarHBondContact O-N 2.91Å; L361-S363 VanDerWaalsContact C-N 3.27Å; L361-S363 PolarHBondContact O-N 3.28Å; L361-F364 PolarHBondContact O-N 2.96Å
362	L	78.3	Confident	74.7	Confident	91 Å²	91	82.6 Å²	82.6	48%	0.476	38%	0.384	S	S	.	.	H	α-helix	trans	-68	-25.4	176.2	-75.6	169.5	0	0	0	112.8	Y358 S359 V360 F364 S365	Y358-L362 WeakPolarHBondContact O-CB 3.46Å; Y358-L362 WeakPolarHBondContact O-CG 3.48Å; Y358-L362 PolarHBondContact O-N 3.44Å; S359-L362 PolarHBondContact O-N 2.92Å; V360-L362 VanDerWaalsContact C-N 3.31Å; V360-L362 PolarHBondContact O-N 2.97Å; L362-F364 PolarHBondContact O-N 3.22Å; L362-S365 WeakPolarHBondContact O-CB 3.47Å; L362-S365 PolarHBondContact O-N 3.01Å; L362-S365 VanDerWaalsContact O-N 3.16Å
363	S	78.7	Confident	76.4	Confident	0 Å²	0	75.5 Å²	75.5	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-66.5	-27.7	174	-62.5	0	0	0	0	112.2	S359 V360 L361 S365 N369 P762 N765	S359-S363 PolarHBondContact O-N 3.34Å; S359-S363 PolarHBondContact O-OG 3.16Å; V360-S363 VanDerWaalsContact O-CB 3.24Å; V360-S363 WeakPolarHBondContact O-CB 3.46Å; V360-S363 PolarHBondContact O-N 3.48Å; L361-S363 VanDerWaalsContact C-N 3.27Å; L361-S363 PolarHBondContact O-N 3.28Å; S363-S365 VanDerWaalsContact C-N 3.28Å; S363-S365 PolarHBondContact O-N 3.41Å; S363-N369 PolarHBondContact O-ND2 2.91Å; S363-P762 WeakPolarHBondContact O-CA 3.16Å; S363-N765 PolarHBondContact O-ND2 2.66Å
364	F	83.1	Confident	77.7	Confident	77 Å²	77	74.6 Å²	74.6	34%	0.338	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	5.5	173.4	-70.7	-91.4	0	0	0	114.1	V360 L361 L362 A366 P762	V360-F364 HydrophobicContact CG1-CD2 4.44Å; V360-F364 HydrophobicContact CG1-CE2 4.02Å; V360-F364 VanDerWaalsContact O-CD2 3.32Å; V360-F364 WeakPolarHBondContact O-CD2 3.21Å; L361-F364 PolarHBondContact O-N 2.96Å; L362-F364 PolarHBondContact O-N 3.22Å; F364-A366 PolarHBondContact O-N 3.01Å; F364-A366 VanDerWaalsContact O-N 3.07Å; F364-P762 HydrophobicContact CB-CG 4.48Å; F364-P762 HydrophobicContact CD1-CB 3.53Å; F364-P762 HydrophobicContact CD1-CG 3.3Å; F364-P762 HydrophobicContact CD2-CB 4.1Å; F364-P762 HydrophobicContact CE1-CB 3.43Å; F364-P762 VanDerWaalsContact CE1-CB 3.43Å; F364-P762 HydrophobicContact CE1-CG 3.54Å; F364-P762 HydrophobicContact CE2-CB 4.02Å; F364-P762 HydrophobicContact CG-CB 3.86Å; F364-P762 HydrophobicContact CG-CG 3.92Å; F364-P762 HydrophobicContact CZ-CB 3.68Å; F364-P762 HydrophobicContact CZ-CG 4.31Å
365	S	83.1	Confident	78.7	Confident	19 Å²	19	73.6 Å²	73.6	13%	0.133	35%	0.349	C	S	.	.			trans	-63.1	112.2	177.1	175.7	0	0	0	0	111.6	L362 S363 Y367 T368 N369	L362-S365 WeakPolarHBondContact O-CB 3.47Å; L362-S365 PolarHBondContact O-N 3.01Å; L362-S365 VanDerWaalsContact O-N 3.16Å; S363-S365 VanDerWaalsContact C-N 3.28Å; S363-S365 PolarHBondContact O-N 3.41Å; S365-Y367 VanDerWaalsContact C-N 3.27Å; S365-Y367 PolarHBondContact O-N 3.15Å; S365-T368 WeakPolarHBondContact CB-OG1 3.11Å; S365-T368 PolarHBondContact O-N 2.87Å; S365-T368 VanDerWaalsContact O-N 3.17Å; S365-T368 PolarHBondContact OG-N 2.96Å; S365-T368 PolarHBondContact OG-OG1 2.8Å; S365-N369 PolarHBondContact O-N 3.05Å; S365-N369 PolarHBondContact O-ND2 3.24Å
366	A	81.9	Confident	78.7	Confident	35 Å²	35	73.1 Å²	73.1	29%	0.289	35%	0.348	S	S	.	.	H	α-helix	trans	-56.7	-40	176.6	0	0	0	0	0	112.3	F364 T368 N369 I370	F364-A366 PolarHBondContact O-N 3.01Å; F364-A366 VanDerWaalsContact O-N 3.07Å; A366-T368 PolarHBondContact O-N 3.41Å; A366-N369 PolarHBondContact O-N 3.05Å; A366-I370 WeakPolarHBondContact O-CB 3.46Å; A366-I370 WeakPolarHBondContact O-CG1 3.03Å; A366-I370 PolarHBondContact O-N 3.01Å
367	Y	82.4	Confident	78.3	Confident	165 Å²	165	70.8 Å²	70.8	65%	0.647	35%	0.347	S	S	*	.	H	α-helix	trans	-60.3	-44.7	177.9	176.9	-98	0	0	0	112	S365 R371	S365-Y367 VanDerWaalsContact C-N 3.27Å; S365-Y367 PolarHBondContact O-N 3.15Å; Y367-R371 WeakPolarHBondContact O-CB 3.44Å; Y367-R371 PolarHBondContact O-N 3.12Å
368	T	81.4	Confident	77.4	Confident	59 Å²	59	70.7 Å²	70.7	36%	0.362	37%	0.369	S	S	.	.	H	α-helix	trans	-65.4	-43.4	178.4	-52.2	0	0	0	0	110.9	S365 A366 R371 R372	S365-T368 WeakPolarHBondContact CB-OG1 3.11Å; S365-T368 PolarHBondContact O-N 2.87Å; S365-T368 VanDerWaalsContact O-N 3.17Å; S365-T368 PolarHBondContact OG-N 2.96Å; S365-T368 PolarHBondContact OG-OG1 2.8Å; A366-T368 PolarHBondContact O-N 3.41Å; T368-R371 PolarHBondContact O-N 3.46Å; T368-R372 WeakPolarHBondContact O-CB 3.33Å; T368-R372 PolarHBondContact O-N 3.16Å
369	N	83.8	Confident	76.8	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-66.8	-41.9	179.9	-69.9	-22.3	0	0	0	112.4	S363 S365 A366 R372 L373 Y756 L757 N765	S363-N369 PolarHBondContact O-ND2 2.91Å; S365-N369 PolarHBondContact O-N 3.05Å; S365-N369 PolarHBondContact O-ND2 3.24Å; A366-N369 PolarHBondContact O-N 3.05Å; N369-R372 WeakPolarHBondContact O-CB 3.2Å; N369-R372 PolarHBondContact O-N 3.17Å; N369-L373 PolarHBondContact O-N 3.09Å; N369-Y756 HydrophobicContact CB-CE1 4.24Å; N369-L757 HydrophobicContact CB-CD2 3.68Å; N369-N765 PolarHBondContact OD1-ND2 2.69Å
370	I	85.9	Confident	76.9	Confident	81 Å²	81	71.3 Å²	71.3	42%	0.415	38%	0.379	S	S	.	.	H	α-helix	trans	-64.4	-44.7	176.3	-68	167.7	0	0	0	110.7	A366 R372 L373 F753 L757	A366-I370 WeakPolarHBondContact O-CB 3.46Å; A366-I370 WeakPolarHBondContact O-CG1 3.03Å; A366-I370 PolarHBondContact O-N 3.01Å; I370-R372 PolarHBondContact O-N 3.38Å; I370-L373 WeakPolarHBondContact O-CB 3.33Å; I370-L373 PolarHBondContact O-N 3.27Å; I370-L373 VanDerWaalsContact O-N 3.16Å; I370-F753 HydrophobicContact CD1-CZ 4.21Å; I370-F753 HydrophobicContact CG1-CE2 4.27Å; I370-F753 HydrophobicContact CG1-CZ 4.05Å; I370-L757 HydrophobicContact CG1-CD1 4.47Å; I370-L757 HydrophobicContact CG1-CD2 3.75Å
371	R	83.6	Confident	77	Confident	164 Å²	164	70.3 Å²	70.3	62%	0.619	37%	0.372	S	S	*	.	H	α-helix	trans	-61.3	-35.8	177.4	-170.3	174.5	178.8	179.7	-1.5	111.5	Y367 T368 L373 S374 H375	Y367-R371 WeakPolarHBondContact O-CB 3.44Å; Y367-R371 PolarHBondContact O-N 3.12Å; T368-R371 PolarHBondContact O-N 3.46Å; R371-L373 PolarHBondContact O-N 3.16Å; R371-S374 PolarHBondContact O-N 3.33Å; R371-S374 PolarHBondContact O-OG 2.99Å; R371-H375 PolarHBondContact O-N 2.72Å
372	R	81.6	Confident	77.2	Confident	69 Å²	69	67.5 Å²	67.5	26%	0.26	36%	0.361	S	S	.	.	H	α-helix	trans	-63.4	-36.5	176.2	-171.4	177.5	179.5	130.9	11.9	113	T368 N369 I370 S374 H375 N765 D768	T368-R372 WeakPolarHBondContact O-CB 3.33Å; T368-R372 PolarHBondContact O-N 3.16Å; N369-R372 WeakPolarHBondContact O-CB 3.2Å; N369-R372 PolarHBondContact O-N 3.17Å; I370-R372 PolarHBondContact O-N 3.38Å; R372-S374 VanDerWaalsContact C-N 3.25Å; R372-S374 PolarHBondContact O-N 2.87Å; R372-H375 PolarHBondContact O-N 3.39Å; R372-H375 VanDerWaalsContact O-N 3.14Å; R372-N765 PolarHBondContact NH1-OD1 2.97Å; R372-D768 IonicContact CZ-OD2 3.27Å; R372-D768 IonicContact NH1-OD2 3.38Å; R372-D768 PolarHBondContact NH1-OD2 3.05Å; R372-D768 IonicContact NH2-OD2 2.84Å; R372-D768 PolarHBondContact NH2-OD2 3.39Å
373	L	81.8	Confident	77.6	Confident	7 Å²	7	63.8 Å²	63.8	4%	0.037	34%	0.341	C	S	.	.	H	α-helix	trans	-59.9	-36.2	176.1	-71.8	169.9	0	0	0	112.7	N369 I370 R371 P703 Q706 L707 F753 Y756	N369-L373 PolarHBondContact O-N 3.09Å; I370-L373 WeakPolarHBondContact O-CB 3.33Å; I370-L373 PolarHBondContact O-N 3.27Å; I370-L373 VanDerWaalsContact O-N 3.16Å; R371-L373 PolarHBondContact O-N 3.16Å; L373-P703 HydrophobicContact CB-CB 4.36Å; L373-Q706 HydrophobicContact CD2-CB 3.56Å; L373-Q706 HydrophobicContact CD2-CG 4.28Å; L373-L707 HydrophobicContact CD1-CD2 4.48Å; L373-L707 HydrophobicContact CD2-CD2 4.06Å; L373-L707 HydrophobicContact CD2-CG 4.31Å; L373-F753 HydrophobicContact CD1-CD2 3.89Å; L373-F753 HydrophobicContact CD1-CE2 3.7Å; L373-Y756 HydrophobicContact CD1-CD1 3.87Å; L373-Y756 HydrophobicContact CD1-CE1 3.88Å; L373-Y756 HydrophobicContact CD2-CD1 3.77Å; L373-Y756 HydrophobicContact CD2-CD2 4.09Å; L373-Y756 HydrophobicContact CD2-CE1 3.46Å; L373-Y756 VanDerWaalsContact CD2-CE1 3.46Å; L373-Y756 HydrophobicContact CD2-CE2 3.79Å; L373-Y756 HydrophobicContact CD2-CG 4.08Å; L373-Y756 VanDerWaalsContact CD2-CZ 3.46Å; L373-Y756 HydrophobicContact CG-CD1 3.92Å; L373-Y756 HydrophobicContact CG-CE1 3.45Å; L373-Y756 VanDerWaalsContact CG-CE1 3.45Å
374	S	77.2	Confident	78.1	Confident	76 Å²	76	63.9 Å²	63.9	53%	0.531	34%	0.341	S	S	.	.	H	α-helix	trans	-79.4	-17.7	178.9	66.5	0	0	0	0	113.8	R371 R372 T376	R371-S374 PolarHBondContact O-N 3.33Å; R371-S374 PolarHBondContact O-OG 2.99Å; R372-S374 VanDerWaalsContact C-N 3.25Å; R372-S374 PolarHBondContact O-N 2.87Å; S374-T376 PolarHBondContact O-N 2.88Å
375	H	73.6	Confident	78.5	Confident	124 Å²	124	60.3 Å²	60.3	57%	0.574	33%	0.325	S	S	*	.			trans	-88.4	112.7	-172.7	-169.2	-79.7	0	0	0	111.3	R371 R372 D377	R371-H375 PolarHBondContact O-N 2.72Å; R372-H375 PolarHBondContact O-N 3.39Å; R372-H375 VanDerWaalsContact O-N 3.14Å; H375-D377 IonicContact CE1-OD1 2.74Å
376	T	68.2	Low	78.9	Confident	48 Å²	48	59.4 Å²	59.4	29%	0.294	32%	0.319	S	S	.	.			trans	-106.7	134.4	169.3	47.6	0	0	0	0	110.7	S374 N702	S374-T376 PolarHBondContact O-N 2.88Å; T376-N702 HydrophobicContact CG2-CB 4.03Å
377	D	63.8	Low	79.5	Confident	108 Å²	108	58.2 Å²	58.2	58%	0.578	31%	0.308	S	S	*	.			trans	-63.2	144.3	171.9	-68.9	-29.2	0	0	0	110.7	H375 S379 H380	H375-D377 IonicContact CE1-OD1 2.74Å; D377-S379 PolarHBondContact O-N 3.45Å; D377-H380 WeakPolarHBondContact O-CB 3.43Å; D377-H380 PolarHBondContact O-N 3.04Å
378	A	57.6	Low	80	Confident	118 Å²	118	52.7 Å²	52.7	98%	0.975	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-18.5	175	0	0	0	0	0	113.6	H380	A378-H380 VanDerWaalsContact C-N 3.33Å
379	S	62.1	Low	80.6	Confident	52 Å²	52	49.9 Å²	49.9	36%	0.364	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-5.6	180	105.8	0	0	0	0	113.2	D377 K450	D377-S379 PolarHBondContact O-N 3.45Å; S379-K450 PolarHBondContact O-NZ 2.81Å; S379-K450 PolarHBondContact OG-NZ 3.44Å
380	H	71.8	Confident	81.2	Confident	64 Å²	64	53.1 Å²	53.1	30%	0.296	29%	0.286	S	S	.	.	S	Bend	trans	-79.6	138.2	-177.7	-169.4	-78	0	0	0	111.2	D377 A378 S382 N385	D377-H380 WeakPolarHBondContact O-CB 3.43Å; D377-H380 PolarHBondContact O-N 3.04Å; A378-H380 VanDerWaalsContact C-N 3.33Å; H380-S382 PolarHBondContact O-N 3.3Å; H380-N385 PolarHBondContact CE1-ND2 3.5Å; H380-N385 PolarHBondContact CE1-OD1 2.96Å
381	L	79.7	Confident	81.6	Confident	18 Å²	18	49.9 Å²	49.9	9%	0.094	27%	0.27	C	S	.	.			trans	-83.9	94.7	176.1	-60.8	175.1	0	0	0	108.8	Y383 L384 Y446 L610	L381-Y383 VanDerWaalsContact C-N 3.29Å; L381-Y383 HydrophobicContact CB-CE1 4.16Å; L381-Y383 HydrophobicContact CB-CE2 4.03Å; L381-Y383 HydrophobicContact CD1-CE2 4.49Å; L381-Y383 WeakPolarHBondContact CD1-OH 3.34Å; L381-Y383 HydrophobicContact CD2-CE1 4.17Å; L381-Y383 WeakPolarHBondContact CD2-OH 3.48Å; L381-Y383 PolarHBondContact O-N 3.04Å; L381-L384 HydrophobicContact CB-CD1 3.75Å; L381-L384 HydrophobicContact CB-CG 3.75Å; L381-L384 HydrophobicContact CD1-CD1 3.87Å; L381-L384 HydrophobicContact CD1-CG 4.43Å; L381-L384 HydrophobicContact CG-CD1 4.39Å; L381-L384 WeakPolarHBondContact O-CB 3.4Å; L381-L384 PolarHBondContact O-N 3.48Å; L381-Y446 HydrophobicContact CD1-CE2 4.42Å; L381-L610 HydrophobicContact CD1-CD1 4.14Å
382	S	82.5	Confident	82.2	Confident	42 Å²	42	42.4 Å²	42.4	29%	0.294	24%	0.242	S	C	.	.	H	α-helix	trans	-58.5	-35.5	-172.4	54.7	0	0	0	0	113.8	H380 L384 N385 S697	H380-S382 PolarHBondContact O-N 3.3Å; S382-L384 PolarHBondContact O-N 3.21Å; S382-N385 VanDerWaalsContact O-CB 3.28Å; S382-N385 WeakPolarHBondContact O-CB 3.14Å; S382-N385 PolarHBondContact O-N 3.04Å; S382-S697 WeakPolarHBondContact OG-CB 3.23Å
383	Y	85.4	Confident	82.8	Confident	13 Å²	13	41.7 Å²	41.7	5%	0.051	24%	0.243	C	C	.	.	H	α-helix	trans	-63.1	-22.4	177.4	54.5	-102.4	0	0	0	113.9	L381 N385 G386 I387 I676 C679 Q680 L696	L381-Y383 VanDerWaalsContact C-N 3.29Å; L381-Y383 HydrophobicContact CB-CE1 4.16Å; L381-Y383 HydrophobicContact CB-CE2 4.03Å; L381-Y383 HydrophobicContact CD1-CE2 4.49Å; L381-Y383 WeakPolarHBondContact CD1-OH 3.34Å; L381-Y383 HydrophobicContact CD2-CE1 4.17Å; L381-Y383 WeakPolarHBondContact CD2-OH 3.48Å; L381-Y383 PolarHBondContact O-N 3.04Å; Y383-N385 PolarHBondContact O-N 3.38Å; Y383-G386 PolarHBondContact O-N 2.97Å; Y383-I387 WeakPolarHBondContact O-CG1 3.39Å; Y383-I387 PolarHBondContact O-N 2.94Å; Y383-I676 HydrophobicContact CE2-CG2 3.96Å; Y383-C679 HydrophobicContact CD1-CB 4Å; Y383-C679 HydrophobicContact CD2-CB 4.16Å; Y383-C679 HydrophobicContact CE1-CB 4.34Å; Y383-C679 HydrophobicContact CG-CB 3.89Å; Y383-Q680 PolarHBondContact OH-OE1 3.16Å; Y383-L696 WeakPolarHBondContact CA-O 3.25Å
384	L	90.5	Very high	83.5	Confident	3 Å²	3	43.2 Å²	43.2	2%	0.016	25%	0.248	C	C	.	.	H	α-helix	trans	-66.9	-28.4	174	-62.2	-175.2	0	0	0	111.6	L381 S382 I387 R388 L439 L443 I676	L381-L384 HydrophobicContact CB-CD1 3.75Å; L381-L384 HydrophobicContact CB-CG 3.75Å; L381-L384 HydrophobicContact CD1-CD1 3.87Å; L381-L384 HydrophobicContact CD1-CG 4.43Å; L381-L384 HydrophobicContact CG-CD1 4.39Å; L381-L384 WeakPolarHBondContact O-CB 3.4Å; L381-L384 PolarHBondContact O-N 3.48Å; S382-L384 PolarHBondContact O-N 3.21Å; L384-I387 PolarHBondContact O-N 3.45Å; L384-R388 WeakPolarHBondContact O-CB 3.29Å; L384-R388 WeakPolarHBondContact O-CG 3.39Å; L384-R388 PolarHBondContact O-N 2.85Å; L384-L439 HydrophobicContact CD2-CD2 3.71Å; L384-L443 HydrophobicContact CD1-CD2 3.84Å; L384-L443 HydrophobicContact CD1-CG 4.5Å; L384-I676 HydrophobicContact CD2-CD1 3.84Å; L384-I676 HydrophobicContact CD2-CG1 3.93Å; L384-I676 HydrophobicContact CD2-CG2 4.2Å
385	N	90.7	Very high	84.3	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-65	-45.9	178	-70.2	-21.1	0	0	0	110.9	H380 S382 Y383 I387 R388 C389 W701 N702 A705	H380-N385 PolarHBondContact CE1-ND2 3.5Å; H380-N385 PolarHBondContact CE1-OD1 2.96Å; S382-N385 VanDerWaalsContact O-CB 3.28Å; S382-N385 WeakPolarHBondContact O-CB 3.14Å; S382-N385 PolarHBondContact O-N 3.04Å; Y383-N385 PolarHBondContact O-N 3.38Å; N385-I387 PolarHBondContact O-N 3.17Å; N385-R388 PolarHBondContact O-N 2.97Å; N385-C389 PolarHBondContact O-N 2.77Å; N385-C389 PolarHBondContact O-SG 3.43Å; N385-W701 HydrophobicContact CB-CB 3.9Å; N385-N702 PolarHBondContact ND2-OD1 2.75Å; N385-A705 HydrophobicContact CB-CB 3.48Å; N385-A705 VanDerWaalsContact CB-CB 3.48Å; N385-A705 VanDerWaalsContact CG-CB 3.46Å; N385-A705 VanDerWaalsContact OD1-CB 3.28Å; N385-A705 WeakPolarHBondContact OD1-CB 3.19Å
386	G	92.2	Very high	85.2	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-60.2	-45.1	175	0	0	0	0	0	112.5	Y383 R388 C389 L390 L696	Y383-G386 PolarHBondContact O-N 2.97Å; G386-R388 PolarHBondContact O-N 3.37Å; G386-C389 PolarHBondContact O-N 3.41Å; G386-L390 WeakPolarHBondContact O-CB 2.96Å; G386-L390 VanDerWaalsContact O-CG 3.32Å; G386-L390 WeakPolarHBondContact O-CG 3.42Å; G386-L390 PolarHBondContact O-N 2.81Å; G386-L696 PolarHBondContact N-O 3.16Å
387	I	94.2	Very high	86.4	Confident	11 Å²	11	34.4 Å²	34.4	6%	0.056	20%	0.197	C	C	.	.	H	α-helix	trans	-61.6	-43.7	178.8	-63.9	171.8	0	0	0	111.2	Y383 L384 N385 S391 T435 L439 V672 I676 L696	Y383-I387 WeakPolarHBondContact O-CG1 3.39Å; Y383-I387 PolarHBondContact O-N 2.94Å; L384-I387 PolarHBondContact O-N 3.45Å; N385-I387 PolarHBondContact O-N 3.17Å; I387-S391 VanDerWaalsContact O-CB 3.28Å; I387-S391 WeakPolarHBondContact O-CB 3.39Å; I387-S391 PolarHBondContact O-N 3.44Å; I387-S391 PolarHBondContact O-OG 3.15Å; I387-T435 HydrophobicContact CG2-CG2 3.67Å; I387-L439 HydrophobicContact CG2-CD1 4.26Å; I387-V672 HydrophobicContact CG2-CG1 4.3Å; I387-I676 HydrophobicContact CD1-CD1 4.27Å; I387-I676 HydrophobicContact CD1-CG1 3.63Å; I387-L696 HydrophobicContact CG1-CD1 4.11Å; I387-L696 HydrophobicContact CG1-CD2 4.12Å
388	R	92.7	Very high	87.7	Confident	49 Å²	49	29.8 Å²	29.8	19%	0.185	18%	0.175	C	C	.	.	H	α-helix	trans	-61.1	-48.6	177.2	-73	172.8	71	-160.4	-2.8	112	L384 N385 G386 S391 M392 L439 A705	L384-R388 WeakPolarHBondContact O-CB 3.29Å; L384-R388 WeakPolarHBondContact O-CG 3.39Å; L384-R388 PolarHBondContact O-N 2.85Å; N385-R388 PolarHBondContact O-N 2.97Å; G386-R388 PolarHBondContact O-N 3.37Å; R388-S391 PolarHBondContact O-N 3.3Å; R388-M392 WeakPolarHBondContact O-CB 3.42Å; R388-M392 PolarHBondContact O-N 3.42Å; R388-L439 HydrophobicContact CG-CD1 3.37Å; R388-A705 VanDerWaalsContact CZ-O 3.3Å; R388-A705 PolarHBondContact NH1-O 2.99Å; R388-A705 PolarHBondContact NH2-O 3.04Å
389	C	94.8	Very high	89.2	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-64.7	-47.3	-177.6	-64.4	0	0	0	0	111.5	N385 G386 S391 M392 M393 W701 L704 A705	N385-C389 PolarHBondContact O-N 2.77Å; N385-C389 PolarHBondContact O-SG 3.43Å; G386-C389 PolarHBondContact O-N 3.41Å; C389-S391 PolarHBondContact O-N 3.04Å; C389-M392 PolarHBondContact O-N 3.38Å; C389-M393 VanDerWaalsContact O-CG 3.25Å; C389-M393 WeakPolarHBondContact O-CG 3.46Å; C389-M393 PolarHBondContact O-N 2.82Å; C389-W701 HydrophobicContact CB-CD2 4.32Å; C389-W701 HydrophobicContact CB-CE3 3.35Å; C389-W701 HydrophobicContact CB-CZ3 3.62Å; C389-L704 VanDerWaalsContact SG-C 3.58Å; C389-L704 VanDerWaalsContact SG-CB 3.54Å; C389-A705 VanDerWaalsContact SG-CA 3.6Å; C389-A705 PolarHBondContact SG-N 2.93Å
390	L	95.2	Very high	90.4	Very high	67 Å²	67	24.3 Å²	24.3	35%	0.351	12%	0.122	S	C	.	.	H	α-helix	trans	-63.8	-40.3	178.8	-69.5	172.8	0	0	0	112	G386 M392 M393 Y394 L696 W701	G386-L390 WeakPolarHBondContact O-CB 2.96Å; G386-L390 VanDerWaalsContact O-CG 3.32Å; G386-L390 WeakPolarHBondContact O-CG 3.42Å; G386-L390 PolarHBondContact O-N 2.81Å; L390-M392 VanDerWaalsContact C-N 3.32Å; L390-M392 PolarHBondContact O-N 3.24Å; L390-M393 HydrophobicContact CD2-SD 4.5Å; L390-M393 PolarHBondContact O-N 3.16Å; L390-Y394 WeakPolarHBondContact O-CB 3.39Å; L390-Y394 PolarHBondContact O-N 3.01Å; L390-L696 HydrophobicContact CD1-CD2 3.72Å; L390-W701 HydrophobicContact CD2-CH2 3.83Å; L390-W701 HydrophobicContact CD2-CZ2 4.32Å; L390-W701 HydrophobicContact CG-CH2 4.2Å; L390-W701 HydrophobicContact CG-CZ2 4.47Å
391	S	95.5	Very high	91.1	Very high	14 Å²	14	22.2 Å²	22.2	10%	0.098	11%	0.114	C	C	.	.	H	α-helix	trans	-65.1	-37.4	176.3	-56.8	0	0	0	0	111.8	I387 R388 C389 Y394 A395 T435	I387-S391 VanDerWaalsContact O-CB 3.28Å; I387-S391 WeakPolarHBondContact O-CB 3.39Å; I387-S391 PolarHBondContact O-N 3.44Å; I387-S391 PolarHBondContact O-OG 3.15Å; R388-S391 PolarHBondContact O-N 3.3Å; C389-S391 PolarHBondContact O-N 3.04Å; S391-Y394 PolarHBondContact O-N 3.29Å; S391-A395 WeakPolarHBondContact O-CB 3.42Å; S391-A395 PolarHBondContact O-N 3.02Å; S391-T435 VanDerWaalsContact OG-CG2 3.24Å; S391-T435 WeakPolarHBondContact OG-CG2 3.4Å
392	M	94.9	Very high	91.1	Very high	6 Å²	6	23.2 Å²	23.2	3%	0.03	12%	0.119	C	C	.	.	H	α-helix	trans	-66.9	-46.5	174.8	-178.3	52.1	72.1	0	0	111.9	R388 C389 L390 Y394 A395 I396 F436 T708 A711 A712	R388-M392 WeakPolarHBondContact O-CB 3.42Å; R388-M392 PolarHBondContact O-N 3.42Å; C389-M392 PolarHBondContact O-N 3.38Å; L390-M392 VanDerWaalsContact C-N 3.32Å; L390-M392 PolarHBondContact O-N 3.24Å; M392-Y394 PolarHBondContact O-N 2.63Å; M392-A395 WeakPolarHBondContact O-CB 3.33Å; M392-A395 PolarHBondContact O-N 3.2Å; M392-A395 VanDerWaalsContact O-N 3.14Å; M392-I396 HydrophobicContact CG-CD1 3.94Å; M392-I396 HydrophobicContact CG-CG1 4.38Å; M392-I396 VanDerWaalsContact O-CG1 3.31Å; M392-I396 WeakPolarHBondContact O-CG1 3.36Å; M392-I396 PolarHBondContact O-N 3.29Å; M392-I396 HydrophobicContact SD-CD1 4.07Å; M392-I396 HydrophobicContact SD-CG1 3.99Å; M392-F436 HydrophobicContact CB-CZ 3.99Å; M392-F436 HydrophobicContact CE-CE1 4.43Å; M392-F436 HydrophobicContact CE-CE2 4.37Å; M392-F436 HydrophobicContact CE-CZ 3.85Å; M392-T708 HydrophobicContact CB-CG2 3.78Å; M392-T708 HydrophobicContact CE-CG2 3.75Å; M392-T708 WeakPolarHBondContact CE-O 3.34Å; M392-T708 HydrophobicContact CG-CG2 4.06Å; M392-A711 HydrophobicContact CG-CB 4.42Å; M392-A712 VanDerWaalsContact CE-CA 3.42Å; M392-A712 HydrophobicContact CE-CB 3.27Å
393	M	95.6	Very high	90.7	Very high	55 Å²	55	21.7 Å²	21.7	27%	0.271	11%	0.106	S	C	.	.	H	α-helix	trans	-58	-41.1	176.3	-67.7	171.6	178.7	0	0	111	C389 L390 I396 F397 W701 L704 T745 Y749	C389-M393 VanDerWaalsContact O-CG 3.25Å; C389-M393 WeakPolarHBondContact O-CG 3.46Å; C389-M393 PolarHBondContact O-N 2.82Å; L390-M393 HydrophobicContact CD2-SD 4.5Å; L390-M393 PolarHBondContact O-N 3.16Å; M393-I396 PolarHBondContact O-N 2.83Å; M393-F397 WeakPolarHBondContact O-CB 3.31Å; M393-F397 PolarHBondContact O-N 3Å; M393-W701 HydrophobicContact CE-CZ3 3.88Å; M393-W701 HydrophobicContact SD-CZ3 4.36Å; M393-L704 HydrophobicContact CE-CD1 4.38Å; M393-T745 HydrophobicContact CG-CG2 3.85Å; M393-Y749 HydrophobicContact CE-CE2 4.36Å; M393-Y749 HydrophobicContact CG-CE2 4.43Å
394	Y	95.5	Very high	90.4	Very high	39 Å²	39	21.1 Å²	21.1	15%	0.153	11%	0.105	C	C	.	.	H	α-helix	trans	-64.9	-42.1	175.8	-177.3	-142.7	0	0	0	112.6	L390 S391 M392 F397 G398 L425 S428 A429 W668	L390-Y394 WeakPolarHBondContact O-CB 3.39Å; L390-Y394 PolarHBondContact O-N 3.01Å; S391-Y394 PolarHBondContact O-N 3.29Å; M392-Y394 PolarHBondContact O-N 2.63Å; Y394-F397 PolarHBondContact O-N 3.5Å; Y394-G398 PolarHBondContact O-N 2.87Å; Y394-L425 HydrophobicContact CE2-CD1 4.1Å; Y394-L425 HydrophobicContact CE2-CG 4.25Å; Y394-L425 WeakPolarHBondContact CE2-O 3.36Å; Y394-L425 VanDerWaalsContact CZ-O 3.24Å; Y394-L425 PolarHBondContact OH-O 2.88Å; Y394-S428 PolarHBondContact OH-O 3.35Å; Y394-A429 HydrophobicContact CD2-CB 4.29Å; Y394-A429 HydrophobicContact CE1-CB 4.48Å; Y394-A429 HydrophobicContact CE2-CB 3.84Å; Y394-A429 VanDerWaalsContact CZ-CA 3.4Å; Y394-A429 WeakPolarHBondContact OH-CA 3.19Å; Y394-A429 PolarHBondContact OH-N 2.92Å; Y394-W668 HydrophobicContact CE1-CH2 4.41Å
395	A	93.5	Very high	89.7	Confident	10 Å²	10	24.9 Å²	24.9	8%	0.083	12%	0.124	C	C	.	.	H	α-helix	trans	-60.4	-50.8	174.6	0	0	0	0	0	111.6	S391 M392 F397 G398 Y399 S432	S391-A395 WeakPolarHBondContact O-CB 3.42Å; S391-A395 PolarHBondContact O-N 3.02Å; M392-A395 WeakPolarHBondContact O-CB 3.33Å; M392-A395 PolarHBondContact O-N 3.2Å; M392-A395 VanDerWaalsContact O-N 3.14Å; A395-F397 VanDerWaalsContact C-N 3.26Å; A395-F397 PolarHBondContact O-N 2.8Å; A395-G398 PolarHBondContact O-N 3.5Å; A395-G398 VanDerWaalsContact O-N 3.1Å; A395-Y399 WeakPolarHBondContact O-CD2 3.48Å; A395-Y399 PolarHBondContact O-N 3.14Å; A395-S432 WeakPolarHBondContact CB-OG 3.49Å
396	I	93.8	Very high	88.8	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-57.7	-41.7	179	-65.8	173.5	0	0	0	110.7	M392 M393 Y399 T400 H715 I719 A744 T745	M392-I396 HydrophobicContact CG-CD1 3.94Å; M392-I396 HydrophobicContact CG-CG1 4.38Å; M392-I396 VanDerWaalsContact O-CG1 3.31Å; M392-I396 WeakPolarHBondContact O-CG1 3.36Å; M392-I396 PolarHBondContact O-N 3.29Å; M392-I396 HydrophobicContact SD-CD1 4.07Å; M392-I396 HydrophobicContact SD-CG1 3.99Å; M393-I396 PolarHBondContact O-N 2.83Å; I396-Y399 PolarHBondContact O-N 2.93Å; I396-T400 WeakPolarHBondContact O-CB 3.28Å; I396-T400 PolarHBondContact O-N 3.33Å; I396-T400 PolarHBondContact O-OG1 3.44Å; I396-H715 HydrophobicContact CD1-CB 4.05Å; I396-H715 HydrophobicContact CG1-CB 3.77Å; I396-I719 HydrophobicContact CG2-CD1 4.24Å; I396-A744 HydrophobicContact CG2-CB 4.04Å; I396-T745 HydrophobicContact CD1-CG2 4.46Å; I396-T745 WeakPolarHBondContact CG2-OG1 3Å
397	F	93	Very high	87.9	Confident	52 Å²	52	27.8 Å²	27.8	23%	0.228	14%	0.14	C	C	.	.	H	α-helix	trans	-61.6	-46.6	176.5	-169.6	-113.5	0	0	0	112	M393 Y394 A395 T400 C401 V426 T737	M393-F397 WeakPolarHBondContact O-CB 3.31Å; M393-F397 PolarHBondContact O-N 3Å; Y394-F397 PolarHBondContact O-N 3.5Å; A395-F397 VanDerWaalsContact C-N 3.26Å; A395-F397 PolarHBondContact O-N 2.8Å; F397-T400 WeakPolarHBondContact O-CB 3.46Å; F397-T400 PolarHBondContact O-N 3.38Å; F397-C401 PolarHBondContact O-N 2.8Å; F397-C401 VanDerWaalsContact O-N 3.15Å; F397-C401 PolarHBondContact O-SG 3.46Å; F397-C401 VanDerWaalsContact O-SG 3.36Å; F397-V426 HydrophobicContact CD1-CG2 4.05Å; F397-V426 HydrophobicContact CE1-CG2 3.51Å; F397-V426 HydrophobicContact CZ-CG2 4.45Å; F397-T737 HydrophobicContact CE2-CG2 4.4Å; F397-T737 HydrophobicContact CZ-CG2 4.39Å
398	G	91	Very high	87.3	Confident	12 Å²	12	27.6 Å²	27.6	12%	0.124	14%	0.139	C	C	.	.	H	α-helix	trans	-58.4	-47.2	175.1	0	0	0	0	0	113.1	Y394 A395 T400 C401 M402	Y394-G398 PolarHBondContact O-N 2.87Å; A395-G398 PolarHBondContact O-N 3.5Å; A395-G398 VanDerWaalsContact O-N 3.1Å; G398-T400 VanDerWaalsContact C-N 3.34Å; G398-T400 PolarHBondContact O-N 3.16Å; G398-C401 PolarHBondContact O-N 2.91Å; G398-M402 PolarHBondContact O-N 3.02Å
399	Y	87.8	Confident	86.8	Confident	53 Å²	53	26.7 Å²	26.7	21%	0.208	14%	0.138	C	C	.	.	H	α-helix	trans	-63.2	-38.7	176	-86.5	-82.8	0	0	0	112.2	A395 I396 C401 M402 F403 H715	A395-Y399 WeakPolarHBondContact O-CD2 3.48Å; A395-Y399 PolarHBondContact O-N 3.14Å; I396-Y399 PolarHBondContact O-N 2.93Å; Y399-C401 VanDerWaalsContact C-N 3.3Å; Y399-C401 PolarHBondContact O-N 3.33Å; Y399-M402 HydrophobicContact CD1-SD 4.41Å; Y399-M402 PolarHBondContact O-N 3.46Å; Y399-F403 HydrophobicContact CD1-CD2 4.38Å; Y399-F403 HydrophobicContact CD1-CE2 4.03Å; Y399-F403 WeakPolarHBondContact O-CD2 3.49Å; Y399-F403 PolarHBondContact O-N 3.05Å; Y399-H715 AromaticContact CD2-NE2 3.55Å; Y399-H715 AromaticContact CE2-NE2 3.79Å; Y399-H715 AromaticContact CG-NE2 3.97Å
400	T	88.6	Confident	86.3	Confident	2 Å²	2	27 Å²	27	1%	0.012	14%	0.14	C	C	.	.	H	α-helix	trans	-59.4	-44	177.2	-56.1	0	0	0	0	111	I396 F397 G398 A404 L723 N740	I396-T400 WeakPolarHBondContact O-CB 3.28Å; I396-T400 PolarHBondContact O-N 3.33Å; I396-T400 PolarHBondContact O-OG1 3.44Å; F397-T400 WeakPolarHBondContact O-CB 3.46Å; F397-T400 PolarHBondContact O-N 3.38Å; G398-T400 VanDerWaalsContact C-N 3.34Å; G398-T400 PolarHBondContact O-N 3.16Å; T400-A404 VanDerWaalsContact O-CB 3.31Å; T400-A404 WeakPolarHBondContact O-CB 3.44Å; T400-A404 PolarHBondContact O-N 3.37Å; T400-L723 HydrophobicContact CG2-CD1 4.43Å; T400-N740 HydrophobicContact CG2-CB 4.05Å
401	C	86.2	Confident	85.6	Confident	19 Å²	19	25.3 Å²	25.3	13%	0.128	14%	0.135	C	C	.	.	H	α-helix	trans	-63.3	-44.9	175.2	-62.6	0	0	0	0	111.8	F397 G398 Y399 A404 L405 V426 T737	F397-C401 PolarHBondContact O-N 2.8Å; F397-C401 VanDerWaalsContact O-N 3.15Å; F397-C401 PolarHBondContact O-SG 3.46Å; F397-C401 VanDerWaalsContact O-SG 3.36Å; G398-C401 PolarHBondContact O-N 2.91Å; Y399-C401 VanDerWaalsContact C-N 3.3Å; Y399-C401 PolarHBondContact O-N 3.33Å; C401-A404 PolarHBondContact O-N 2.87Å; C401-L405 WeakPolarHBondContact O-CG 3.26Å; C401-L405 PolarHBondContact O-N 3.22Å; C401-V426 HydrophobicContact CB-CG1 3.54Å; C401-V426 VanDerWaalsContact SG-CG1 3.52Å; C401-T737 WeakPolarHBondContact SG-CG2 3.24Å
402	M	79.9	Confident	84.8	Confident	40 Å²	40	28.3 Å²	28.3	20%	0.197	15%	0.15	C	C	.	.	H	α-helix	trans	-61	-46.5	178.5	-177.5	-165.2	141.5	0	0	112	G398 Y399 A404 L405 N406 Y570	G398-M402 PolarHBondContact O-N 3.02Å; Y399-M402 HydrophobicContact CD1-SD 4.41Å; Y399-M402 PolarHBondContact O-N 3.46Å; M402-A404 VanDerWaalsContact C-N 3.33Å; M402-A404 PolarHBondContact O-N 3.16Å; M402-L405 WeakPolarHBondContact O-CB 3.35Å; M402-L405 PolarHBondContact O-N 3.19Å; M402-N406 PolarHBondContact O-ND2 3.17Å; M402-Y570 WeakPolarHBondContact CE-OH 3.15Å; M402-Y570 HydrophobicContact SD-CE1 3.91Å; M402-Y570 PolarHBondContact SD-OH 3.16Å
403	F	74.6	Confident	84.2	Confident	9 Å²	9	31.1 Å²	31.1	4%	0.039	17%	0.167	C	C	.	.	H	α-helix	trans	-65.6	-37.3	176.9	-88.6	-92.1	0	0	0	111.7	Y399 L405 N406 E484 P716 I719 A720 L723	Y399-F403 HydrophobicContact CD1-CD2 4.38Å; Y399-F403 HydrophobicContact CD1-CE2 4.03Å; Y399-F403 WeakPolarHBondContact O-CD2 3.49Å; Y399-F403 PolarHBondContact O-N 3.05Å; F403-L405 VanDerWaalsContact C-N 3.26Å; F403-L405 PolarHBondContact O-N 3.44Å; F403-N406 WeakPolarHBondContact O-CB 3.35Å; F403-N406 PolarHBondContact O-N 3.05Å; F403-N406 VanDerWaalsContact O-N 3.12Å; F403-N406 PolarHBondContact O-ND2 2.82Å; F403-E484 WeakPolarHBondContact CZ-OE2 3.08Å; F403-P716 HydrophobicContact CE2-CB 4.45Å; F403-P716 HydrophobicContact CZ-CB 4.49Å; F403-I719 HydrophobicContact CB-CG2 3.57Å; F403-I719 HydrophobicContact CD1-CG2 4.33Å; F403-I719 HydrophobicContact CD2-CG2 3.77Å; F403-I719 HydrophobicContact CG-CG2 3.63Å; F403-A720 HydrophobicContact CE1-CB 4.09Å; F403-L723 HydrophobicContact CB-CD1 3.66Å
404	A	78.7	Confident	83.6	Confident	2 Å²	2	28.6 Å²	28.6	2%	0.017	16%	0.155	C	C	.	.	H	α-helix	trans	-60.1	-34.7	177.6	0	0	0	0	0	112.6	T400 C401 M402 N406 N407 L408 L723 F730	T400-A404 VanDerWaalsContact O-CB 3.31Å; T400-A404 WeakPolarHBondContact O-CB 3.44Å; T400-A404 PolarHBondContact O-N 3.37Å; C401-A404 PolarHBondContact O-N 2.87Å; M402-A404 VanDerWaalsContact C-N 3.33Å; M402-A404 PolarHBondContact O-N 3.16Å; A404-N406 PolarHBondContact O-N 3.49Å; A404-N407 PolarHBondContact O-N 3.46Å; A404-N407 VanDerWaalsContact O-N 3.15Å; A404-L408 VanDerWaalsContact O-CD2 3.24Å; A404-L408 WeakPolarHBondContact O-CD2 3.12Å; A404-L408 WeakPolarHBondContact O-CG 3.35Å; A404-L723 HydrophobicContact CB-CD1 4.34Å; A404-F730 HydrophobicContact CB-CD1 3.97Å; A404-F730 HydrophobicContact CB-CE1 3.83Å; A404-F730 HydrophobicContact CB-CZ 4.26Å
405	L	75.5	Confident	82.9	Confident	81 Å²	81	29.2 Å²	29.2	42%	0.424	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-56.2	-24.2	176.8	-66.3	177	0	0	0	113.4	C401 M402 F403 N407 L408	C401-L405 WeakPolarHBondContact O-CG 3.26Å; C401-L405 PolarHBondContact O-N 3.22Å; M402-L405 WeakPolarHBondContact O-CB 3.35Å; M402-L405 PolarHBondContact O-N 3.19Å; F403-L405 VanDerWaalsContact C-N 3.26Å; F403-L405 PolarHBondContact O-N 3.44Å; L405-N407 VanDerWaalsContact C-N 3.33Å; L405-N407 PolarHBondContact O-N 3.31Å; L405-L408 HydrophobicContact CD2-CD1 3.8Å
406	N	71.6	Confident	82.4	Confident	38 Å²	38	33.8 Å²	33.8	20%	0.203	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-74.7	-18.3	-178.3	-75.5	-82.9	0	0	0	114.4	R249 M402 F403 A404	R249-N406 PolarHBondContact NH1-O 3.37Å; R249-N406 VanDerWaalsContact NH1-O 3.1Å; R249-N406 PolarHBondContact NH2-O 2.61Å; M402-N406 PolarHBondContact O-ND2 3.17Å; F403-N406 WeakPolarHBondContact O-CB 3.35Å; F403-N406 PolarHBondContact O-N 3.05Å; F403-N406 VanDerWaalsContact O-N 3.12Å; F403-N406 PolarHBondContact O-ND2 2.82Å; A404-N406 PolarHBondContact O-N 3.49Å
407	N	73.8	Confident	82	Confident	25 Å²	25	35.6 Å²	35.6	13%	0.134	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-133.4	32.1	-170.9	-71	-23.6	0	0	0	112.9	R249 A404 L405 L723 F730	R249-N407 PolarHBondContact NH1-OD1 3.14Å; A404-N407 PolarHBondContact O-N 3.46Å; A404-N407 VanDerWaalsContact O-N 3.15Å; L405-N407 VanDerWaalsContact C-N 3.33Å; L405-N407 PolarHBondContact O-N 3.31Å; N407-L723 PolarHBondContact ND2-O 3.19Å; N407-F730 WeakPolarHBondContact O-CB 3.44Å; N407-F730 PolarHBondContact O-N 2.88Å
408	L	80.9	Confident	81.7	Confident	6 Å²	6	34.1 Å²	34.1	3%	0.031	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-79.4	138.5	-176.2	-64.7	-173.8	0	0	0	114.2	A404 L405 A411 F730 L732	A404-L408 VanDerWaalsContact O-CD2 3.24Å; A404-L408 WeakPolarHBondContact O-CD2 3.12Å; A404-L408 WeakPolarHBondContact O-CG 3.35Å; L405-L408 HydrophobicContact CD2-CD1 3.8Å; L408-A411 HydrophobicContact CB-CB 4.16Å; L408-F730 WeakPolarHBondContact CA-O 3.48Å; L408-F730 HydrophobicContact CD2-CB 4.38Å; L408-F730 HydrophobicContact CD2-CD1 3.59Å; L408-F730 HydrophobicContact CD2-CE1 4.42Å; L408-F730 HydrophobicContact CD2-CG 4.44Å; L408-F730 WeakPolarHBondContact CD2-O 3.12Å; L408-L732 HydrophobicContact CD1-CB 4.31Å; L408-L732 HydrophobicContact CD1-CD2 4.27Å; L408-L732 HydrophobicContact CD2-CB 3.8Å; L408-L732 HydrophobicContact CD2-CD1 4.31Å
409	D	81.3	Confident	81.4	Confident	30 Å²	30	33.7 Å²	33.7	16%	0.16	18%	0.181	C	C	.	.	S	Bend	trans	-84.4	-23.8	164.1	57.2	20.3	0	0	0	113.2	N178 T729 F730 H731	N178-D409 WeakPolarHBondContact CA-O 3.44Å; N178-D409 HydrophobicContact CB-CB 4.43Å; N178-D409 WeakPolarHBondContact CB-O 3.13Å; N178-D409 PolarHBondContact N-O 2.76Å; N178-D409 VanDerWaalsContact N-O 3.11Å; D409-T729 WeakPolarHBondContact CB-OG1 3.27Å; D409-F730 PolarHBondContact N-O 3.33Å; D409-H731 VanDerWaalsContact OD1-CA 3.3Å; D409-H731 WeakPolarHBondContact OD1-CA 3.03Å; D409-H731 IonicContact OD1-CE1 3.88Å; D409-H731 IonicContact OD1-CG 3.7Å; D409-H731 IonicContact OD1-ND1 2.79Å; D409-H731 PolarHBondContact OD1-ND1 2.62Å; D409-H731 IonicContact OD2-CG 3.83Å; D409-H731 IonicContact OD2-ND1 3.44Å; D409-H731 PolarHBondContact OD2-ND1 3.48Å
410	N	85.7	Confident	81.5	Confident	8 Å²	8	35.4 Å²	35.4	4%	0.043	19%	0.191	C	C	.	.	S	Bend	trans	-118.5	48	-177.5	65.2	-23.3	0	0	0	111	D176 L412 V413 G414 H731 L732	D176-N410 CarbonylContact O-C 3.52Å; D176-N410 VanDerWaalsContact O-C 3.24Å; D176-N410 WeakPolarHBondContact O-CA 3.28Å; N410-L412 PolarHBondContact O-N 3.27Å; N410-V413 HydrophobicContact CB-CB 4.18Å; N410-V413 HydrophobicContact CB-CG2 4.27Å; N410-V413 WeakPolarHBondContact O-CB 3.28Å; N410-V413 PolarHBondContact O-N 3.04Å; N410-V413 VanDerWaalsContact O-N 3.11Å; N410-G414 PolarHBondContact O-N 2.81Å; N410-H731 PolarHBondContact ND2-CE1 2.82Å; N410-L732 PolarHBondContact ND2-O 3.29Å; N410-L732 VanDerWaalsContact OD1-CB 3.25Å; N410-L732 WeakPolarHBondContact OD1-CB 3.03Å; N410-L732 PolarHBondContact OD1-N 3.35Å
411	A	79.9	Confident	81.7	Confident	30 Å²	30	40.6 Å²	40.6	25%	0.248	21%	0.214	C	C	.	.	H	α-helix	trans	-56.1	-35.2	-174.4	0	0	0	0	0	113.7	D176 L408 G414 M415	D176-A411 PolarHBondContact O-N 2.93Å; L408-A411 HydrophobicContact CB-CB 4.16Å; A411-G414 PolarHBondContact O-N 3.02Å; A411-M415 WeakPolarHBondContact O-CG 3.42Å; A411-M415 PolarHBondContact O-N 3.39Å
412	L	79.5	Confident	81.8	Confident	78 Å²	78	47 Å²	47	41%	0.408	24%	0.239	S	C	.	.	H	α-helix	trans	-68.3	-43.3	178.3	-173	59.4	0	0	0	111.4	D176 N410 G414 M415 D416	D176-L412 VanDerWaalsContact O-CB 3.23Å; D176-L412 WeakPolarHBondContact O-CB 3.27Å; D176-L412 PolarHBondContact O-N 2.91Å; N410-L412 PolarHBondContact O-N 3.27Å; L412-G414 VanDerWaalsContact C-N 3.26Å; L412-G414 PolarHBondContact O-N 3.3Å; L412-M415 HydrophobicContact CD1-CE 3.75Å; L412-M415 WeakPolarHBondContact O-CB 3.46Å; L412-M415 PolarHBondContact O-N 3.3Å; L412-D416 PolarHBondContact O-N 2.91Å
413	V	82.4	Confident	82.2	Confident	65 Å²	65	45.7 Å²	45.7	39%	0.394	23%	0.234	S	C	.	.	H	α-helix	trans	-62.3	-37.8	173.3	-178.5	0	0	0	0	110.4	D176 N410 D416 M417	D176-V413 HydrophobicContact CB-CG2 4.44Å; N410-V413 HydrophobicContact CB-CB 4.18Å; N410-V413 HydrophobicContact CB-CG2 4.27Å; N410-V413 WeakPolarHBondContact O-CB 3.28Å; N410-V413 PolarHBondContact O-N 3.04Å; N410-V413 VanDerWaalsContact O-N 3.11Å; V413-D416 PolarHBondContact O-N 3.33Å; V413-M417 WeakPolarHBondContact O-CB 3.44Å; V413-M417 PolarHBondContact O-N 2.85Å
414	G	82.6	Confident	83	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-64.6	-39	174.2	0	0	0	0	0	113.8	N410 A411 L412 M417 I418	N410-G414 PolarHBondContact O-N 2.81Å; A411-G414 PolarHBondContact O-N 3.02Å; L412-G414 VanDerWaalsContact C-N 3.26Å; L412-G414 PolarHBondContact O-N 3.3Å; G414-M417 PolarHBondContact O-N 2.94Å; G414-I418 WeakPolarHBondContact O-CG1 3.29Å; G414-I418 PolarHBondContact O-N 3.24Å; G414-I418 VanDerWaalsContact O-N 3.13Å
415	M	81	Confident	83.6	Confident	53 Å²	53	49.4 Å²	49.4	26%	0.261	25%	0.254	S	S	.	.	H	α-helix	trans	-62.5	-43.6	172.2	-74.3	-169	-71.2	0	0	111.6	A411 L412 M417 I418 T574 L576	A411-M415 WeakPolarHBondContact O-CG 3.42Å; A411-M415 PolarHBondContact O-N 3.39Å; L412-M415 HydrophobicContact CD1-CE 3.75Å; L412-M415 WeakPolarHBondContact O-CB 3.46Å; L412-M415 PolarHBondContact O-N 3.3Å; M415-M417 VanDerWaalsContact C-N 3.33Å; M415-M417 PolarHBondContact O-N 3.47Å; M415-I418 WeakPolarHBondContact O-CB 3.5Å; M415-I418 PolarHBondContact O-N 2.84Å; M415-T574 WeakPolarHBondContact O-CG2 3.49Å; M415-L576 HydrophobicContact CE-CD2 4.45Å; M415-L576 HydrophobicContact SD-CD2 3.58Å; M415-L576 VanDerWaalsContact SD-CD2 3.58Å
416	D	83.1	Confident	84.3	Confident	105 Å²	105	47.2 Å²	47.2	56%	0.561	24%	0.244	S	C	*	.	H	α-helix	trans	-63.6	-40.1	175.1	-69.6	-22.2	0	0	0	111.6	L412 V413 I418 G419	L412-D416 PolarHBondContact O-N 2.91Å; V413-D416 PolarHBondContact O-N 3.33Å; D416-I418 VanDerWaalsContact C-N 3.27Å; D416-I418 PolarHBondContact O-N 3.16Å; D416-G419 PolarHBondContact O-N 3.28Å
417	M	85.2	Confident	85	Confident	38 Å²	38	46.3 Å²	46.3	19%	0.187	24%	0.239	C	C	.	.	H	α-helix	trans	-61.9	-32.7	179.2	-172.3	177.8	169.9	0	0	112.3	V413 G414 M415 G419 E420 S423 L732 I734	V413-M417 WeakPolarHBondContact O-CB 3.44Å; V413-M417 PolarHBondContact O-N 2.85Å; G414-M417 PolarHBondContact O-N 2.94Å; M415-M417 VanDerWaalsContact C-N 3.33Å; M415-M417 PolarHBondContact O-N 3.47Å; M417-G419 PolarHBondContact O-N 2.59Å; M417-E420 WeakPolarHBondContact O-CB 3.35Å; M417-E420 PolarHBondContact O-N 2.92Å; M417-E420 VanDerWaalsContact O-N 3.08Å; M417-S423 WeakPolarHBondContact O-CB 3.23Å; M417-S423 PolarHBondContact O-OG 3.37Å; M417-L732 HydrophobicContact SD-CD2 3.86Å; M417-L732 HydrophobicContact SD-CG 4.19Å; M417-I734 HydrophobicContact CE-CD1 4.37Å; M417-I734 HydrophobicContact CE-CG1 3.44Å; M417-I734 VanDerWaalsContact CE-CG1 3.44Å
418	I	85.4	Confident	85.9	Confident	22 Å²	22	45.4 Å²	45.4	11%	0.113	23%	0.234	C	C	.	.	H	α-helix	trans	-60	-32.3	175.6	-74.3	166.3	0	0	0	111.9	G414 M415 D416 E420 Q424 N427 G572	G414-I418 WeakPolarHBondContact O-CG1 3.29Å; G414-I418 PolarHBondContact O-N 3.24Å; G414-I418 VanDerWaalsContact O-N 3.13Å; M415-I418 WeakPolarHBondContact O-CB 3.5Å; M415-I418 PolarHBondContact O-N 2.84Å; D416-I418 VanDerWaalsContact C-N 3.27Å; D416-I418 PolarHBondContact O-N 3.16Å; I418-E420 VanDerWaalsContact C-N 3.28Å; I418-E420 PolarHBondContact O-N 2.96Å; I418-Q424 PolarHBondContact O-NE2 3.15Å; I418-N427 PolarHBondContact O-ND2 3.47Å; I418-N427 VanDerWaalsContact O-ND2 3.16Å; I418-G572 WeakPolarHBondContact CG2-O 3.41Å
419	G	86.2	Confident	86.4	Confident	2 Å²	2	45.4 Å²	45.4	2%	0.021	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-13.6	177.5	0	0	0	0	0	113.9	D416 M417 Y644	D416-G419 PolarHBondContact O-N 3.28Å; M417-G419 PolarHBondContact O-N 2.59Å; G419-Y644 WeakPolarHBondContact O-CE2 3.46Å
420	E	89.8	Confident	86.9	Confident	90 Å²	90	45 Å²	45	42%	0.421	24%	0.236	S	C	.	.	S	Bend	trans	-69.6	149	-179.3	-66.2	-174.8	-172	0	0	112.8	M417 I418 K422 S423 Q424	M417-E420 WeakPolarHBondContact O-CB 3.35Å; M417-E420 PolarHBondContact O-N 2.92Å; M417-E420 VanDerWaalsContact O-N 3.08Å; I418-E420 VanDerWaalsContact C-N 3.28Å; I418-E420 PolarHBondContact O-N 2.96Å; E420-K422 VanDerWaalsContact C-N 3.26Å; E420-K422 PolarHBondContact O-N 2.97Å; E420-S423 PolarHBondContact O-N 3.31Å; E420-S423 VanDerWaalsContact O-N 3.13Å; E420-Q424 PolarHBondContact O-NE2 3.46Å
421	F	91.3	Very high	87.2	Confident	110 Å²	110	45 Å²	45	48%	0.482	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-38.5	179.9	-175.7	-100.4	0	0	0	112.5	S423 Q424 F641 Y644	F421-S423 VanDerWaalsContact C-N 3.32Å; F421-S423 PolarHBondContact O-N 2.63Å; F421-Q424 WeakPolarHBondContact O-CB 3.49Å; F421-Q424 WeakPolarHBondContact O-CG 3.32Å; F421-Q424 PolarHBondContact O-N 3.13Å; F421-F641 HydrophobicContact CD1-CD1 4.35Å; F421-F641 HydrophobicContact CD1-CE1 4.17Å; F421-F641 HydrophobicContact CD2-CD1 4.11Å; F421-F641 AromaticContact CE1-CD1 3.84Å; F421-F641 HydrophobicContact CE1-CD1 3.84Å; F421-F641 AromaticContact CE1-CE1 3.7Å; F421-F641 HydrophobicContact CE1-CE1 3.7Å; F421-F641 HydrophobicContact CE1-CZ 4.26Å; F421-F641 HydrophobicContact CE2-CB 4.04Å; F421-F641 AromaticContact CE2-CD1 3.56Å; F421-F641 HydrophobicContact CE2-CD1 3.56Å; F421-F641 HydrophobicContact CE2-CE1 4.28Å; F421-F641 AromaticContact CE2-CG 3.95Å; F421-F641 HydrophobicContact CE2-CG 3.95Å; F421-F641 HydrophobicContact CG-CD1 4.48Å; F421-F641 HydrophobicContact CZ-CB 4.25Å; F421-F641 AromaticContact CZ-CD1 3.41Å; F421-F641 HydrophobicContact CZ-CD1 3.41Å; F421-F641 VanDerWaalsContact CZ-CD1 3.41Å; F421-F641 HydrophobicContact CZ-CD2 4.33Å; F421-F641 AromaticContact CZ-CE1 3.76Å; F421-F641 HydrophobicContact CZ-CE1 3.76Å; F421-F641 AromaticContact CZ-CG 3.74Å; F421-F641 HydrophobicContact CZ-CG 3.74Å; F421-F641 HydrophobicContact CZ-CZ 4.37Å; F421-F641 WeakPolarHBondContact O-CE1 3.49Å; F421-Y644 HydrophobicContact CB-CD2 4.11Å; F421-Y644 HydrophobicContact CB-CE2 3.79Å; F421-Y644 HydrophobicContact CD2-CD1 4.5Å; F421-Y644 AromaticContact CD2-CD2 3.99Å; F421-Y644 HydrophobicContact CD2-CD2 3.99Å; F421-Y644 HydrophobicContact CD2-CE2 4.28Å; F421-Y644 HydrophobicContact CD2-CG 4.08Å
422	K	89.7	Confident	87.8	Confident	153 Å²	153	43.9 Å²	43.9	67%	0.665	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-33.6	180	-61.7	177	-175.2	175.9	0	112.1	E420 Q424 L425	E420-K422 VanDerWaalsContact C-N 3.26Å; E420-K422 PolarHBondContact O-N 2.97Å; K422-Q424 PolarHBondContact O-N 3.4Å; K422-L425 PolarHBondContact O-N 2.95Å
423	S	88.7	Confident	88.4	Confident	13 Å²	13	40.9 Å²	40.9	9%	0.091	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-15.5	-179.1	-58.9	0	0	0	0	113.1	M417 E420 F421 L425 V426 N427	M417-S423 WeakPolarHBondContact O-CB 3.23Å; M417-S423 PolarHBondContact O-OG 3.37Å; E420-S423 PolarHBondContact O-N 3.31Å; E420-S423 VanDerWaalsContact O-N 3.13Å; F421-S423 VanDerWaalsContact C-N 3.32Å; F421-S423 PolarHBondContact O-N 2.63Å; S423-L425 PolarHBondContact O-N 3.14Å; S423-V426 WeakPolarHBondContact O-CA 3.41Å; S423-V426 WeakPolarHBondContact O-CB 3.32Å; S423-V426 PolarHBondContact O-N 3.26Å; S423-N427 PolarHBondContact O-N 2.78Å
424	Q	91.1	Very high	89	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.7	-27.3	175.9	-55.1	-41.8	-53.1	0	0	112.9	I418 E420 F421 K422 V426 N427 S428 F641 Y644 A647	I418-Q424 PolarHBondContact O-NE2 3.15Å; E420-Q424 PolarHBondContact O-NE2 3.46Å; F421-Q424 WeakPolarHBondContact O-CB 3.49Å; F421-Q424 WeakPolarHBondContact O-CG 3.32Å; F421-Q424 PolarHBondContact O-N 3.13Å; K422-Q424 PolarHBondContact O-N 3.4Å; Q424-V426 VanDerWaalsContact C-N 3.29Å; Q424-V426 PolarHBondContact O-N 3.03Å; Q424-N427 PolarHBondContact NE2-ND2 3.07Å; Q424-N427 PolarHBondContact OE1-ND2 3.42Å; Q424-S428 WeakPolarHBondContact O-CB 3.38Å; Q424-S428 PolarHBondContact O-N 2.68Å; Q424-S428 PolarHBondContact O-OG 2.93Å; Q424-S428 VanDerWaalsContact O-OG 3.04Å; Q424-F641 HydrophobicContact CB-CD1 3.83Å; Q424-F641 HydrophobicContact CB-CE1 4.24Å; Q424-F641 HydrophobicContact CG-CD1 4.46Å; Q424-Y644 HydrophobicContact CG-CD2 3.93Å; Q424-Y644 HydrophobicContact CG-CG 4.45Å; Q424-A647 VanDerWaalsContact OE1-CB 3.25Å
425	L	90.8	Very high	89.6	Confident	89 Å²	89	37.8 Å²	37.8	47%	0.466	19%	0.194	S	C	.	.	H	α-helix	trans	-61.1	-40.3	170	-176.6	63.5	0	0	0	111	Y394 K422 S423 V640	Y394-L425 HydrophobicContact CE2-CD1 4.1Å; Y394-L425 HydrophobicContact CE2-CG 4.25Å; Y394-L425 WeakPolarHBondContact CE2-O 3.36Å; Y394-L425 VanDerWaalsContact CZ-O 3.24Å; Y394-L425 PolarHBondContact OH-O 2.88Å; K422-L425 PolarHBondContact O-N 2.95Å; S423-L425 PolarHBondContact O-N 3.14Å; L425-V640 HydrophobicContact CD1-CG1 4.4Å
426	V	89.3	Confident	90.2	Very high	36 Å²	36	37.4 Å²	37.4	22%	0.218	19%	0.191	C	C	.	.	H	α-helix	trans	-75.6	-45.2	177.5	177.6	0	0	0	0	111.1	F397 C401 S423 Q424 S428 A429	F397-V426 HydrophobicContact CD1-CG2 4.05Å; F397-V426 HydrophobicContact CE1-CG2 3.51Å; F397-V426 HydrophobicContact CZ-CG2 4.45Å; C401-V426 HydrophobicContact CB-CG1 3.54Å; C401-V426 VanDerWaalsContact SG-CG1 3.52Å; S423-V426 WeakPolarHBondContact O-CA 3.41Å; S423-V426 WeakPolarHBondContact O-CB 3.32Å; S423-V426 PolarHBondContact O-N 3.26Å; Q424-V426 VanDerWaalsContact C-N 3.29Å; Q424-V426 PolarHBondContact O-N 3.03Å; V426-S428 PolarHBondContact O-N 2.82Å; V426-S428 VanDerWaalsContact O-N 3.16Å; V426-A429 WeakPolarHBondContact O-CB 3.33Å; V426-A429 PolarHBondContact O-N 3.18Å
427	N	88.1	Confident	90.8	Very high	19 Å²	19	32.7 Å²	32.7	10%	0.102	17%	0.165	C	C	.	.	H	α-helix	trans	-57.8	-31.7	179.6	-72.2	-15.5	0	0	0	112.2	I418 S423 Q424 A429 L571	I418-N427 PolarHBondContact O-ND2 3.47Å; I418-N427 VanDerWaalsContact O-ND2 3.16Å; S423-N427 PolarHBondContact O-N 2.78Å; Q424-N427 PolarHBondContact NE2-ND2 3.07Å; Q424-N427 PolarHBondContact OE1-ND2 3.42Å; N427-A429 VanDerWaalsContact C-N 3.34Å; N427-L571 HydrophobicContact CB-CB 3.79Å; N427-L571 HydrophobicContact CB-CD2 4Å
428	S	91.7	Very high	91.3	Very high	5 Å²	5	30.9 Å²	30.9	4%	0.035	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	4.3	178.1	-60.7	0	0	0	0	114.5	Y394 Q424 V426 A430 L431 V640	Y394-S428 PolarHBondContact OH-O 3.35Å; Q424-S428 WeakPolarHBondContact O-CB 3.38Å; Q424-S428 PolarHBondContact O-N 2.68Å; Q424-S428 PolarHBondContact O-OG 2.93Å; Q424-S428 VanDerWaalsContact O-OG 3.04Å; V426-S428 PolarHBondContact O-N 2.82Å; V426-S428 VanDerWaalsContact O-N 3.16Å; S428-A430 PolarHBondContact O-N 3.34Å; S428-L431 WeakPolarHBondContact O-CB 3.32Å; S428-L431 WeakPolarHBondContact O-CG 3.33Å; S428-L431 PolarHBondContact O-N 3.02Å; S428-V640 PolarHBondContact OG-O 3.33Å
429	A	92.2	Very high	91.8	Very high	7 Å²	7	30 Å²	30	6%	0.058	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-59.6	-24.5	-176.2	0	0	0	0	0	113.7	Y394 V426 N427 L431 S432	Y394-A429 HydrophobicContact CD2-CB 4.29Å; Y394-A429 HydrophobicContact CE1-CB 4.48Å; Y394-A429 HydrophobicContact CE2-CB 3.84Å; Y394-A429 VanDerWaalsContact CZ-CA 3.4Å; Y394-A429 WeakPolarHBondContact OH-CA 3.19Å; Y394-A429 PolarHBondContact OH-N 2.92Å; V426-A429 WeakPolarHBondContact O-CB 3.33Å; V426-A429 PolarHBondContact O-N 3.18Å; N427-A429 VanDerWaalsContact C-N 3.34Å; A429-L431 PolarHBondContact O-N 3.35Å; A429-S432 VanDerWaalsContact O-CB 3.22Å; A429-S432 WeakPolarHBondContact O-CB 3.41Å; A429-S432 PolarHBondContact O-N 2.96Å; A429-S432 PolarHBondContact O-OG 3.42Å
430	A	90.3	Very high	92.1	Very high	22 Å²	22	30.8 Å²	30.8	18%	0.182	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-60.5	-21.9	173.9	0	0	0	0	0	113.9	S428 S432 A433 F590	S428-A430 PolarHBondContact O-N 3.34Å; A430-S432 PolarHBondContact O-N 3.06Å; A430-A433 PolarHBondContact O-N 2.99Å; A430-F590 HydrophobicContact CB-CE2 3.8Å; A430-F590 HydrophobicContact CB-CZ 3.89Å
431	L	92.8	Very high	92.2	Very high	8 Å²	8	26.5 Å²	26.5	4%	0.042	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-66.8	-20.5	173.7	-63.8	174.6	0	0	0	112.5	S428 A429 A433 D434 T435 V640 W668	S428-L431 WeakPolarHBondContact O-CB 3.32Å; S428-L431 WeakPolarHBondContact O-CG 3.33Å; S428-L431 PolarHBondContact O-N 3.02Å; A429-L431 PolarHBondContact O-N 3.35Å; L431-A433 PolarHBondContact O-N 3.45Å; L431-D434 WeakPolarHBondContact O-CB 3.44Å; L431-D434 PolarHBondContact O-N 2.74Å; L431-T435 PolarHBondContact O-N 3.48Å; L431-V640 HydrophobicContact CD1-CG2 4.45Å; L431-W668 HydrophobicContact CB-CD2 3.79Å; L431-W668 HydrophobicContact CB-CE3 4.14Å; L431-W668 HydrophobicContact CB-CG 4.11Å; L431-W668 HydrophobicContact CB-CH2 4.5Å; L431-W668 HydrophobicContact CB-CZ2 4.19Å; L431-W668 HydrophobicContact CB-CZ3 4.48Å; L431-W668 HydrophobicContact CD1-CD2 4.13Å; L431-W668 HydrophobicContact CD1-CE3 3.74Å; L431-W668 HydrophobicContact CD1-CZ3 4.18Å; L431-W668 HydrophobicContact CD2-CB 4.43Å; L431-W668 HydrophobicContact CG-CD2 4.46Å; L431-W668 PolarHBondContact O-NE1 2.99Å
432	S	93	Very high	92.4	Very high	6 Å²	6	21.3 Å²	21.3	4%	0.042	12%	0.115	C	C	.	.	H	α-helix	trans	-57.8	-32.8	175.2	64	0	0	0	0	112.9	A395 A429 A430 D434 T435 F436	A395-S432 WeakPolarHBondContact CB-OG 3.49Å; A429-S432 VanDerWaalsContact O-CB 3.22Å; A429-S432 WeakPolarHBondContact O-CB 3.41Å; A429-S432 PolarHBondContact O-N 2.96Å; A429-S432 PolarHBondContact O-OG 3.42Å; A430-S432 PolarHBondContact O-N 3.06Å; S432-D434 VanDerWaalsContact C-N 3.3Å; S432-D434 PolarHBondContact O-N 3.21Å; S432-T435 VanDerWaalsContact O-CB 3.31Å; S432-T435 WeakPolarHBondContact O-CB 3.43Å; S432-T435 PolarHBondContact O-N 3.1Å; S432-T435 VanDerWaalsContact O-N 3.16Å; S432-F436 VanDerWaalsContact O-CD2 3.26Å; S432-F436 WeakPolarHBondContact O-CD2 3.26Å; S432-F436 PolarHBondContact O-N 3.31Å
433	A	92.3	Very high	92.4	Very high	15 Å²	15	16.6 Å²	16.6	12%	0.124	10%	0.096	C	C	.	.	H	α-helix	trans	-60	-40.2	175.1	0	0	0	0	0	111.6	A430 L431 T435 F436 F437 W516	A430-A433 PolarHBondContact O-N 2.99Å; L431-A433 PolarHBondContact O-N 3.45Å; A433-T435 PolarHBondContact O-N 3.49Å; A433-F436 WeakPolarHBondContact O-CB 3.45Å; A433-F436 PolarHBondContact O-N 2.97Å; A433-F437 HydrophobicContact CB-CE2 4.46Å; A433-F437 WeakPolarHBondContact O-CD2 3.31Å; A433-F437 PolarHBondContact O-N 3.46Å; A433-F437 VanDerWaalsContact O-N 3.09Å; A433-W516 HydrophobicContact CB-CH2 4.06Å
434	D	94.3	Very high	92.4	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-65.3	-28.8	179.1	-66.2	-26.3	0	0	0	111.9	L431 S432 F436 F437 L438 H596 P599 R665	L431-D434 WeakPolarHBondContact O-CB 3.44Å; L431-D434 PolarHBondContact O-N 2.74Å; S432-D434 VanDerWaalsContact C-N 3.3Å; S432-D434 PolarHBondContact O-N 3.21Å; D434-F436 VanDerWaalsContact C-N 3.34Å; D434-F437 PolarHBondContact O-N 3.24Å; D434-L438 VanDerWaalsContact O-CB 3.3Å; D434-L438 WeakPolarHBondContact O-CB 3.34Å; D434-L438 PolarHBondContact O-N 2.88Å; D434-H596 IonicContact OD1-CE1 2.76Å; D434-H596 PolarHBondContact OD1-CE1 3.32Å; D434-H596 IonicContact OD1-CG 3.15Å; D434-H596 IonicContact OD1-ND1 2.66Å; D434-H596 PolarHBondContact OD1-ND1 3.11Å; D434-P599 HydrophobicContact CB-CB 4.11Å; D434-P599 HydrophobicContact CB-CG 4.09Å; D434-R665 IonicContact OD1-NH1 3.81Å; D434-R665 VanDerWaalsContact OD2-CD 3.23Å; D434-R665 WeakPolarHBondContact OD2-CD 3.35Å; D434-R665 IonicContact OD2-CZ 2.77Å; D434-R665 IonicContact OD2-NE 3.94Å; D434-R665 IonicContact OD2-NH1 4Å; D434-R665 PolarHBondContact OD2-NH1 2.02Å
435	T	95.3	Very high	92.4	Very high	1 Å²	1	16 Å²	16	1%	0.006	9%	0.092	C	C	.	.	H	α-helix	trans	-62.9	-41.8	170.4	-54.9	0	0	0	0	111.2	I387 S391 L431 S432 A433 L438 L439 W668 V672	I387-T435 HydrophobicContact CG2-CG2 3.67Å; S391-T435 VanDerWaalsContact OG-CG2 3.24Å; S391-T435 WeakPolarHBondContact OG-CG2 3.4Å; L431-T435 PolarHBondContact O-N 3.48Å; S432-T435 VanDerWaalsContact O-CB 3.31Å; S432-T435 WeakPolarHBondContact O-CB 3.43Å; S432-T435 PolarHBondContact O-N 3.1Å; S432-T435 VanDerWaalsContact O-N 3.16Å; A433-T435 PolarHBondContact O-N 3.49Å; T435-L438 PolarHBondContact O-N 2.84Å; T435-L439 HydrophobicContact CG2-CD1 4.08Å; T435-L439 HydrophobicContact CG2-CG 4.36Å; T435-L439 WeakPolarHBondContact O-CB 3.23Å; T435-L439 WeakPolarHBondContact O-CG 3.1Å; T435-L439 PolarHBondContact O-N 3.38Å; T435-W668 PolarHBondContact OG1-NE1 3.26Å; T435-V672 HydrophobicContact CG2-CG1 4.12Å
436	F	94.3	Very high	92.3	Very high	45 Å²	45	12.5 Å²	12.5	20%	0.197	7%	0.073	C	C	.	.	H	α-helix	trans	-66.3	-44.8	177	-69.6	-74.9	0	0	0	111.8	M392 S432 A433 D434 L438 L439 S440 T708	M392-F436 HydrophobicContact CB-CZ 3.99Å; M392-F436 HydrophobicContact CE-CE1 4.43Å; M392-F436 HydrophobicContact CE-CE2 4.37Å; M392-F436 HydrophobicContact CE-CZ 3.85Å; S432-F436 VanDerWaalsContact O-CD2 3.26Å; S432-F436 WeakPolarHBondContact O-CD2 3.26Å; S432-F436 PolarHBondContact O-N 3.31Å; A433-F436 WeakPolarHBondContact O-CB 3.45Å; A433-F436 PolarHBondContact O-N 2.97Å; D434-F436 VanDerWaalsContact C-N 3.34Å; F436-L438 VanDerWaalsContact C-N 3.34Å; F436-L438 PolarHBondContact O-N 3.17Å; F436-L439 PolarHBondContact O-N 3.42Å; F436-S440 WeakPolarHBondContact O-CB 3.41Å; F436-S440 PolarHBondContact O-N 2.77Å; F436-S440 PolarHBondContact O-OG 3.39Å; F436-T708 HydrophobicContact CE1-CG2 3.87Å; F436-T708 HydrophobicContact CZ-CG2 4.17Å
437	F	95.2	Very high	92.1	Very high	5 Å²	5	15 Å²	15	2%	0.022	8%	0.079	C	C	.	.	H	α-helix	trans	-60	-42.7	175.4	-72.4	-71.8	0	0	0	112.4	A433 D434 L439 S440 G441 W516 F517 A520 E521 H596 P599 Y600	A433-F437 HydrophobicContact CB-CE2 4.46Å; A433-F437 WeakPolarHBondContact O-CD2 3.31Å; A433-F437 PolarHBondContact O-N 3.46Å; A433-F437 VanDerWaalsContact O-N 3.09Å; D434-F437 PolarHBondContact O-N 3.24Å; F437-L439 PolarHBondContact O-N 2.93Å; F437-S440 PolarHBondContact O-N 3.31Å; F437-G441 PolarHBondContact O-N 2.56Å; F437-W516 HydrophobicContact CE2-CH2 4.48Å; F437-W516 HydrophobicContact CE2-CZ3 4.12Å; F437-W516 HydrophobicContact CZ-CZ3 4.17Å; F437-F517 HydrophobicContact CZ-CB 4.42Å; F437-A520 HydrophobicContact CE1-CB 3.79Å; F437-A520 HydrophobicContact CZ-CB 3.7Å; F437-E521 HydrophobicContact CE1-CB 4.37Å; F437-H596 HydrophobicContact CD1-CB 4.13Å; F437-H596 HydrophobicContact CD2-CB 3.67Å; F437-H596 AromaticContact CD2-CG 3.76Å; F437-H596 AromaticContact CD2-ND1 3.64Å; F437-H596 HydrophobicContact CE1-CB 4.06Å; F437-H596 HydrophobicContact CE2-CB 3.61Å; F437-H596 AromaticContact CE2-CD2 3.98Å; F437-H596 AromaticContact CE2-CG 3.41Å; F437-H596 VanDerWaalsContact CE2-CG 3.41Å; F437-H596 AromaticContact CE2-ND1 3.52Å; F437-H596 HydrophobicContact CG-CB 3.95Å; F437-H596 HydrophobicContact CZ-CB 3.81Å; F437-H596 AromaticContact CZ-CG 3.92Å; F437-P599 HydrophobicContact CB-CB 4.12Å; F437-P599 HydrophobicContact CB-CG 4.03Å; F437-Y600 HydrophobicContact CD1-CD2 4.2Å
438	L	96.2	Very high	91.9	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-57.5	-49.2	173.9	175.2	74.7	0	0	0	111.4	D434 T435 F436 G441 C442 P599 I602 G603 L606 P669 V672 I676	D434-L438 VanDerWaalsContact O-CB 3.3Å; D434-L438 WeakPolarHBondContact O-CB 3.34Å; D434-L438 PolarHBondContact O-N 2.88Å; T435-L438 PolarHBondContact O-N 2.84Å; F436-L438 VanDerWaalsContact C-N 3.34Å; F436-L438 PolarHBondContact O-N 3.17Å; L438-G441 PolarHBondContact O-N 2.85Å; L438-C442 WeakPolarHBondContact O-CB 3.33Å; L438-C442 PolarHBondContact O-N 3.22Å; L438-P599 WeakPolarHBondContact CA-O 3.38Å; L438-I602 HydrophobicContact CD1-CB 4.34Å; L438-I602 HydrophobicContact CD1-CG2 3.83Å; L438-G603 WeakPolarHBondContact O-CA 3.27Å; L438-L606 HydrophobicContact CD1-CD2 4.09Å; L438-L606 HydrophobicContact CG-CD2 4.36Å; L438-P669 HydrophobicContact CB-CB 4.34Å; L438-P669 HydrophobicContact CD1-CB 4.05Å; L438-P669 HydrophobicContact CD2-CB 4.38Å; L438-P669 WeakPolarHBondContact CD2-O 3.21Å; L438-P669 HydrophobicContact CG-CB 4.49Å; L438-V672 HydrophobicContact CD2-CB 3.75Å; L438-V672 HydrophobicContact CD2-CG1 3.6Å; L438-I676 HydrophobicContact CD2-CD1 4.35Å
439	L	94.5	Very high	91.6	Very high	5 Å²	5	15 Å²	15	3%	0.026	8%	0.077	C	C	.	.	H	α-helix	trans	-66.2	-39.8	-178.9	-70.5	178.6	0	0	0	112.2	L384 I387 R388 T435 F436 F437 C442 L443 I676	L384-L439 HydrophobicContact CD2-CD2 3.71Å; I387-L439 HydrophobicContact CG2-CD1 4.26Å; R388-L439 HydrophobicContact CG-CD1 3.37Å; T435-L439 HydrophobicContact CG2-CD1 4.08Å; T435-L439 HydrophobicContact CG2-CG 4.36Å; T435-L439 WeakPolarHBondContact O-CB 3.23Å; T435-L439 WeakPolarHBondContact O-CG 3.1Å; T435-L439 PolarHBondContact O-N 3.38Å; F436-L439 PolarHBondContact O-N 3.42Å; F437-L439 PolarHBondContact O-N 2.93Å; L439-C442 PolarHBondContact O-N 3.1Å; L439-L443 WeakPolarHBondContact O-CB 3.46Å; L439-L443 VanDerWaalsContact O-CG 3.29Å; L439-L443 WeakPolarHBondContact O-CG 3.23Å; L439-L443 PolarHBondContact O-N 3.04Å; L439-I676 HydrophobicContact CD2-CD1 3.81Å
440	S	92.6	Very high	91.1	Very high	18 Å²	18	16 Å²	16	13%	0.126	8%	0.08	C	C	.	.	H	α-helix	trans	-63.5	-46.9	176.9	-70	0	0	0	0	111.7	F436 F437 C444 E521	F436-S440 WeakPolarHBondContact O-CB 3.41Å; F436-S440 PolarHBondContact O-N 2.77Å; F436-S440 PolarHBondContact O-OG 3.39Å; F437-S440 PolarHBondContact O-N 3.31Å; S440-C444 WeakPolarHBondContact O-CB 3.48Å; S440-C444 PolarHBondContact O-N 3.12Å; S440-E521 WeakPolarHBondContact CB-OE1 3.21Å; S440-E521 VanDerWaalsContact OG-CD 3.32Å; S440-E521 PolarHBondContact OG-OE1 2.85Å
441	G	93.4	Very high	90.3	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-62.6	-41.9	173.6	0	0	0	0	0	112.6	F437 L438 C444 S445 G603	F437-G441 PolarHBondContact O-N 2.56Å; L438-G441 PolarHBondContact O-N 2.85Å; G441-C444 PolarHBondContact O-N 2.85Å; G441-S445 WeakPolarHBondContact O-CB 3.08Å; G441-S445 PolarHBondContact O-N 3.45Å; G441-G603 VanDerWaalsContact C-C 3.46Å
442	C	94	Very high	89.1	Confident	1 Å²	1	19 Å²	19	1%	0.007	9%	0.09	C	C	.	.	H	α-helix	trans	-62.3	-49.7	177.6	178.4	0	0	0	0	112.6	L438 L439 S445 Y446 G603 L606 G607 L610	L438-C442 WeakPolarHBondContact O-CB 3.33Å; L438-C442 PolarHBondContact O-N 3.22Å; L439-C442 PolarHBondContact O-N 3.1Å; C442-S445 PolarHBondContact O-N 3.23Å; C442-Y446 WeakPolarHBondContact O-CB 3.05Å; C442-Y446 PolarHBondContact O-N 2.97Å; C442-G603 WeakPolarHBondContact CA-O 3.3Å; C442-G603 PolarHBondContact N-O 3.35Å; C442-L606 HydrophobicContact CB-CD2 4.29Å; C442-G607 WeakPolarHBondContact O-CA 3.16Å; C442-L610 VanDerWaalsContact SG-CD1 3.6Å
443	L	90.7	Very high	87.8	Confident	54 Å²	54	19.5 Å²	19.5	28%	0.283	9%	0.094	S	C	.	.	H	α-helix	trans	-67.7	-39	178.9	-71.2	172.1	0	0	0	111.5	L384 L439 W447	L384-L443 HydrophobicContact CD1-CD2 3.84Å; L384-L443 HydrophobicContact CD1-CG 4.5Å; L439-L443 WeakPolarHBondContact O-CB 3.46Å; L439-L443 VanDerWaalsContact O-CG 3.29Å; L439-L443 WeakPolarHBondContact O-CG 3.23Å; L439-L443 PolarHBondContact O-N 3.04Å; L443-W447 WeakPolarHBondContact O-CB 3.34Å; L443-W447 PolarHBondContact O-N 3.04Å
444	C	89	Confident	85.9	Confident	1 Å²	1	26 Å²	26	1%	0.007	12%	0.121	C	C	.	.	H	α-helix	trans	-55.5	-53.1	174.9	-176.2	0	0	0	0	110.9	S440 G441 F448 F525	S440-C444 WeakPolarHBondContact O-CB 3.48Å; S440-C444 PolarHBondContact O-N 3.12Å; G441-C444 PolarHBondContact O-N 2.85Å; C444-F448 VanDerWaalsContact O-CB 3.24Å; C444-F448 WeakPolarHBondContact O-CB 3.35Å; C444-F448 PolarHBondContact O-N 2.72Å; C444-F448 VanDerWaalsContact O-N 3.08Å; C444-F525 VanDerWaalsContact SG-CE2 3.56Å
445	S	90.7	Very high	84	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-67.2	-47.7	178.4	179.8	0	0	0	0	113.1	G441 C442 W447 F448 F449 I604 Y608	G441-S445 WeakPolarHBondContact O-CB 3.08Å; G441-S445 PolarHBondContact O-N 3.45Å; C442-S445 PolarHBondContact O-N 3.23Å; S445-W447 VanDerWaalsContact C-N 3.33Å; S445-W447 PolarHBondContact O-N 3.42Å; S445-F448 PolarHBondContact O-N 2.91Å; S445-F449 WeakPolarHBondContact O-CD2 3.48Å; S445-F449 PolarHBondContact O-N 3.25Å; S445-F449 WeakPolarHBondContact OG-CD2 3.29Å; S445-F449 WeakPolarHBondContact OG-CE2 3.41Å; S445-I604 VanDerWaalsContact CB-O 3.23Å; S445-I604 WeakPolarHBondContact CB-O 3.02Å; S445-I604 PolarHBondContact OG-O 2.94Å; S445-Y608 PolarHBondContact OG-N 3.5Å
446	Y	88.7	Confident	81.8	Confident	15 Å²	15	34.6 Å²	34.6	6%	0.059	19%	0.191	C	C	.	.	H	α-helix	trans	-58.2	-45.2	180	179.7	-96.1	0	0	0	111.6	L381 C442 K450 L610 V611	L381-Y446 HydrophobicContact CD1-CE2 4.42Å; C442-Y446 WeakPolarHBondContact O-CB 3.05Å; C442-Y446 PolarHBondContact O-N 2.97Å; Y446-K450 HydrophobicContact CD1-CD 4.22Å; Y446-K450 HydrophobicContact CE1-CD 3.45Å; Y446-K450 VanDerWaalsContact CE1-CD 3.45Å; Y446-K450 WeakPolarHBondContact O-CB 3.33Å; Y446-K450 PolarHBondContact O-N 3.16Å; Y446-K450 PolarHBondContact OH-NZ 2.87Å; Y446-L610 HydrophobicContact CD2-CB 4.02Å; Y446-L610 HydrophobicContact CE2-CB 4.33Å; Y446-V611 HydrophobicContact CD2-CG2 3.45Å; Y446-V611 VanDerWaalsContact CD2-CG2 3.45Å; Y446-V611 HydrophobicContact CE2-CG2 3.85Å; Y446-V611 HydrophobicContact CG-CG2 4.15Å
447	W	83.9	Confident	79.7	Confident	88 Å²	88	37.1 Å²	37.1	33%	0.333	21%	0.21	S	C	.	.	H	α-helix	trans	-69.5	-41.2	-179.8	-147.2	84.3	0	0	0	111.7	L443 S445 K450 H451 F466	L443-W447 WeakPolarHBondContact O-CB 3.34Å; L443-W447 PolarHBondContact O-N 3.04Å; S445-W447 VanDerWaalsContact C-N 3.33Å; S445-W447 PolarHBondContact O-N 3.42Å; W447-K450 PolarHBondContact O-N 3.21Å; W447-H451 AromaticContact CD1-CD2 3.59Å; W447-H451 AromaticContact CD1-NE2 3.94Å; W447-H451 HydrophobicContact CD2-CB 4.46Å; W447-H451 AromaticContact CD2-CD2 3.69Å; W447-H451 AromaticContact CE2-CD2 3.49Å; W447-H451 VanDerWaalsContact CE2-CD2 3.49Å; W447-H451 HydrophobicContact CE3-CB 4.38Å; W447-H451 AromaticContact CG-CD2 3.76Å; W447-H451 HydrophobicContact CZ3-CB 4.44Å; W447-H451 AromaticContact NE1-CD2 3.4Å; W447-H451 PolarHBondContact NE1-CD2 3.15Å; W447-H451 AromaticContact NE1-NE2 3.58Å; W447-H451 WeakPolarHBondContact O-CB 3.2Å; W447-H451 PolarHBondContact O-N 3.36Å; W447-F466 HydrophobicContact CE3-CD2 4.48Å
448	F	84.9	Confident	77.8	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.213	C	C	.	.	I	π-helix	trans	-57.5	-50.9	175	176.7	-91.7	0	0	0	112	C444 S445 L452 C453 W463 F466 L532	C444-F448 VanDerWaalsContact O-CB 3.24Å; C444-F448 WeakPolarHBondContact O-CB 3.35Å; C444-F448 PolarHBondContact O-N 2.72Å; C444-F448 VanDerWaalsContact O-N 3.08Å; S445-F448 PolarHBondContact O-N 2.91Å; F448-L452 HydrophobicContact CD2-CB 4.25Å; F448-L452 HydrophobicContact CD2-CD2 3.66Å; F448-L452 HydrophobicContact CE2-CB 4.5Å; F448-L452 HydrophobicContact CE2-CD2 3.72Å; F448-L452 WeakPolarHBondContact O-CA 3.44Å; F448-L452 WeakPolarHBondContact O-CB 3.4Å; F448-L452 PolarHBondContact O-N 3.35Å; F448-C453 PolarHBondContact O-N 2.98Å; F448-W463 HydrophobicContact CD2-CH2 4.46Å; F448-W463 HydrophobicContact CE2-CD2 4.21Å; F448-W463 AromaticContact CE2-CE2 3.85Å; F448-W463 HydrophobicContact CE2-CE3 4.16Å; F448-W463 AromaticContact CE2-CH2 3.37Å; F448-W463 HydrophobicContact CE2-CH2 3.37Å; F448-W463 AromaticContact CE2-CZ2 3.46Å; F448-W463 HydrophobicContact CE2-CZ2 3.46Å; F448-W463 VanDerWaalsContact CE2-CZ2 3.46Å; F448-W463 AromaticContact CE2-CZ3 3.75Å; F448-W463 HydrophobicContact CE2-CZ3 3.75Å; F448-W463 AromaticContact CZ-CE2 3.99Å; F448-W463 AromaticContact CZ-CH2 3.45Å; F448-W463 HydrophobicContact CZ-CH2 3.45Å; F448-W463 VanDerWaalsContact CZ-CH2 3.45Å; F448-W463 AromaticContact CZ-CZ2 3.29Å; F448-W463 HydrophobicContact CZ-CZ2 3.29Å; F448-W463 HydrophobicContact CZ-CZ3 4.3Å; F448-F466 HydrophobicContact CB-CE2 4.08Å; F448-F466 HydrophobicContact CB-CZ 4.39Å; F448-F466 HydrophobicContact CD2-CD2 4.44Å; F448-F466 HydrophobicContact CD2-CE2 4.37Å; F448-L532 HydrophobicContact CB-CD1 4.18Å; F448-L532 HydrophobicContact CD1-CB 4.24Å; F448-L532 HydrophobicContact CD1-CD2 4.18Å; F448-L532 HydrophobicContact CD2-CD1 4.32Å; F448-L532 HydrophobicContact CE1-CB 4.24Å; F448-L532 HydrophobicContact CG-CB 4.43Å; F448-L532 HydrophobicContact CG-CD1 4.11Å; F448-L532 HydrophobicContact CG-CD2 4.42Å; F448-L532 HydrophobicContact CZ-CB 4.42Å
449	F	85.3	Confident	75.7	Confident	24 Å²	24	44.2 Å²	44.2	11%	0.105	24%	0.242	C	C	.	.	I	π-helix	trans	-73.2	-33.1	-179.5	-74.5	-66.5	0	0	0	113.5	S445 L532 L535 Y608 V611	S445-F449 WeakPolarHBondContact O-CD2 3.48Å; S445-F449 PolarHBondContact O-N 3.25Å; S445-F449 WeakPolarHBondContact OG-CD2 3.29Å; S445-F449 WeakPolarHBondContact OG-CE2 3.41Å; F449-L532 HydrophobicContact CE2-CD2 4.02Å; F449-L535 HydrophobicContact CE2-CB 4.49Å; F449-L535 HydrophobicContact CZ-CB 3.8Å; F449-Y608 HydrophobicContact CD1-CD2 4.1Å; F449-Y608 HydrophobicContact CD1-CE2 4.3Å; F449-Y608 AromaticContact CD2-CD2 3.72Å; F449-Y608 HydrophobicContact CD2-CD2 3.72Å; F449-Y608 HydrophobicContact CD2-CG 4.49Å; F449-Y608 AromaticContact CE1-CD2 3.92Å; F449-Y608 HydrophobicContact CE1-CD2 3.92Å; F449-Y608 AromaticContact CE1-CE2 3.99Å; F449-Y608 HydrophobicContact CE1-CE2 3.99Å; F449-Y608 AromaticContact CE2-CD2 3.54Å; F449-Y608 HydrophobicContact CE2-CD2 3.54Å; F449-Y608 HydrophobicContact CE2-CE2 4.39Å; F449-Y608 HydrophobicContact CE2-CG 4.25Å; F449-Y608 HydrophobicContact CG-CD2 4.03Å; F449-Y608 AromaticContact CZ-CD2 3.66Å; F449-Y608 HydrophobicContact CZ-CD2 3.66Å; F449-Y608 HydrophobicContact CZ-CE2 4.07Å; F449-V611 HydrophobicContact CB-CB 4.38Å; F449-V611 HydrophobicContact CB-CG1 4.24Å; F449-V611 HydrophobicContact CB-CG2 3.99Å
450	K	81.8	Confident	73.7	Confident	27 Å²	27	48.9 Å²	48.9	12%	0.117	27%	0.273	C	S	.	.	I	π-helix	trans	-73.8	-44.8	-179.6	-178.3	176.4	179.4	178.3	0	113.1	S379 Y446 W447 H454	S379-K450 PolarHBondContact O-NZ 2.81Å; S379-K450 PolarHBondContact OG-NZ 3.44Å; Y446-K450 HydrophobicContact CD1-CD 4.22Å; Y446-K450 HydrophobicContact CE1-CD 3.45Å; Y446-K450 VanDerWaalsContact CE1-CD 3.45Å; Y446-K450 WeakPolarHBondContact O-CB 3.33Å; Y446-K450 PolarHBondContact O-N 3.16Å; Y446-K450 PolarHBondContact OH-NZ 2.87Å; W447-K450 PolarHBondContact O-N 3.21Å; K450-H454 PolarHBondContact O-ND1 3.46Å
451	H	73	Confident	71.7	Confident	79 Å²	79	54.4 Å²	54.4	37%	0.366	30%	0.299	S	S	.	.	I	π-helix	trans	-104.5	-32.4	-170.2	-67.4	-73.7	0	0	0	113.6	W447	W447-H451 AromaticContact CD1-CD2 3.59Å; W447-H451 AromaticContact CD1-NE2 3.94Å; W447-H451 HydrophobicContact CD2-CB 4.46Å; W447-H451 AromaticContact CD2-CD2 3.69Å; W447-H451 AromaticContact CE2-CD2 3.49Å; W447-H451 VanDerWaalsContact CE2-CD2 3.49Å; W447-H451 HydrophobicContact CE3-CB 4.38Å; W447-H451 AromaticContact CG-CD2 3.76Å; W447-H451 HydrophobicContact CZ3-CB 4.44Å; W447-H451 AromaticContact NE1-CD2 3.4Å; W447-H451 PolarHBondContact NE1-CD2 3.15Å; W447-H451 AromaticContact NE1-NE2 3.58Å; W447-H451 WeakPolarHBondContact O-CB 3.2Å; W447-H451 PolarHBondContact O-N 3.36Å
452	L	68.1	Low	69.8	Low	15 Å²	15	59.8 Å²	59.8	8%	0.079	32%	0.32	C	S	.	.	I	π-helix	trans	-91.7	-45.9	-170.9	-124.2	71.7	0	0	0	112.3	F448 R462 F466	F448-L452 HydrophobicContact CD2-CB 4.25Å; F448-L452 HydrophobicContact CD2-CD2 3.66Å; F448-L452 HydrophobicContact CE2-CB 4.5Å; F448-L452 HydrophobicContact CE2-CD2 3.72Å; F448-L452 WeakPolarHBondContact O-CA 3.44Å; F448-L452 WeakPolarHBondContact O-CB 3.4Å; F448-L452 PolarHBondContact O-N 3.35Å; L452-R462 HydrophobicContact CD1-CB 4.11Å; L452-R462 HydrophobicContact CD2-CB 4.32Å; L452-R462 HydrophobicContact CG-CB 3.78Å; L452-R462 PolarHBondContact O-NH1 3.4Å; L452-F466 HydrophobicContact CD1-CB 4.44Å; L452-F466 HydrophobicContact CD2-CB 3.65Å; L452-F466 HydrophobicContact CD2-CD2 4.15Å; L452-F466 HydrophobicContact CD2-CG 4.06Å
453	C	64.8	Low	67.8	Low	17 Å²	17	61.6 Å²	61.6	12%	0.115	33%	0.327	C	S	.	.			trans	-106.8	78.7	-178.8	-65.7	0	0	0	0	111.6	F448 G455 C458	F448-C453 PolarHBondContact O-N 2.98Å; C453-G455 PolarHBondContact O-N 3.5Å; C453-C458 HydrophobicContact CB-CB 4.43Å; C453-C458 WeakPolarHBondContact CB-SG 3.49Å; C453-C458 WeakPolarHBondContact SG-CB 3.44Å; C453-C458 CovalentContact SG-SG 2.05Å; C453-C458 PolarHBondContact SG-SG 3Å
454	H	53.6	Low	65.9	Low	152 Å²	152	63.9 Å²	63.9	70%	0.704	34%	0.343	S	S	*	.	S	Bend	trans	-80.1	102.7	161.8	-110.6	73.1	0	0	0	108.4	K450	K450-H454 PolarHBondContact O-ND1 3.46Å
455	G	54.2	Low	64	Low	61 Å²	61	66.9 Å²	66.9	63%	0.629	36%	0.363	S	S	*	.	S	Bend	trans	76	-165.6	-178.8	0	0	0	0	0	114.8	C453 T457	C453-G455 PolarHBondContact O-N 3.5Å; G455-T457 PolarHBondContact O-N 3.44Å; G455-T457 VanDerWaalsContact O-N 3.13Å
456	S	48.8	Very low	62.2	Low	119 Å²	119	67.5 Å²	67.5	83%	0.832	37%	0.366	S	S	*	.	S	Bend	trans	-71.5	-2.2	-169.1	-25.4	0	0	0	0	115.5
457	T	50.5	Low	60.3	Low	98 Å²	98	69.5 Å²	69.5	60%	0.601	38%	0.377	S	S	*	.			trans	-118.7	77.9	-172.2	47.7	0	0	0	0	112.3	G455 K459	G455-T457 PolarHBondContact O-N 3.44Å; G455-T457 VanDerWaalsContact O-N 3.13Å; T457-K459 PolarHBondContact O-N 3.37Å; T457-K459 VanDerWaalsContact O-N 3.09Å
458	C	54.3	Low	58.3	Low	11 Å²	11	67.6 Å²	67.6	7%	0.074	39%	0.385	C	S	.	.			trans	-72.1	98.2	166.1	-49.6	0	0	0	0	109	C453	C453-C458 HydrophobicContact CB-CB 4.43Å; C453-C458 WeakPolarHBondContact CB-SG 3.49Å; C453-C458 WeakPolarHBondContact SG-CB 3.44Å; C453-C458 CovalentContact SG-SG 2.05Å; C453-C458 PolarHBondContact SG-SG 3Å
459	K	52.5	Low	56.5	Low	143 Å²	143	74 Å²	74	62%	0.622	41%	0.409	S	S	*	.			trans	-71.8	138.6	178.7	-69.5	-173.2	179.9	-178	0	111.5	T457 I461 R462	T457-K459 PolarHBondContact O-N 3.37Å; T457-K459 VanDerWaalsContact O-N 3.09Å; K459-I461 VanDerWaalsContact C-N 3.28Å; K459-I461 PolarHBondContact O-N 2.94Å; K459-R462 PolarHBondContact O-N 2.9Å; K459-R462 VanDerWaalsContact O-N 3.15Å
460	P	53.1	Low	54.6	Low	103 Å²	103	78.7 Å²	78.7	67%	0.669	43%	0.426	S	S	*	.	H	α-helix	trans	-59.7	-31.7	-176	19.8	-30.4	0	0	0	114.2	R462 W463	P460-R462 PolarHBondContact O-N 2.86Å; P460-R462 VanDerWaalsContact O-N 3.17Å; P460-W463 WeakPolarHBondContact O-CB 3.45Å; P460-W463 PolarHBondContact O-N 3.41Å
461	I	51.5	Low	52.3	Low	134 Å²	134	83.5 Å²	83.5	69%	0.687	45%	0.45	S	S	*	.	H	α-helix	trans	-60	-29.7	178.9	-121.5	161.1	0	0	0	112.7	K459	K459-I461 VanDerWaalsContact C-N 3.28Å; K459-I461 PolarHBondContact O-N 2.94Å
462	R	52.3	Low	50.2	Low	113 Å²	113	85.3 Å²	85.3	43%	0.426	47%	0.467	S	S	.	.	H	α-helix	trans	-78	-24.8	177.8	-66.1	-174.5	174	165.6	-2.5	113.1	L452 K459 P460 V464 C465 F466	L452-R462 HydrophobicContact CD1-CB 4.11Å; L452-R462 HydrophobicContact CD2-CB 4.32Å; L452-R462 HydrophobicContact CG-CB 3.78Å; L452-R462 PolarHBondContact O-NH1 3.4Å; K459-R462 PolarHBondContact O-N 2.9Å; K459-R462 VanDerWaalsContact O-N 3.15Å; P460-R462 PolarHBondContact O-N 2.86Å; P460-R462 VanDerWaalsContact O-N 3.17Å; R462-V464 VanDerWaalsContact C-N 3.32Å; R462-C465 PolarHBondContact O-N 2.9Å; R462-F466 PolarHBondContact O-N 3.41Å
463	W	51.5	Low	48.4	Very low	40 Å²	40	90.2 Å²	90.2	15%	0.152	50%	0.502	C	S	.	.	H	α-helix	trans	-63.8	-40	173.4	-78.5	88.7	0	0	0	111.4	F448 P460 C465 F466 L467 L529 L532 W533	F448-W463 HydrophobicContact CD2-CH2 4.46Å; F448-W463 HydrophobicContact CE2-CD2 4.21Å; F448-W463 AromaticContact CE2-CE2 3.85Å; F448-W463 HydrophobicContact CE2-CE3 4.16Å; F448-W463 AromaticContact CE2-CH2 3.37Å; F448-W463 HydrophobicContact CE2-CH2 3.37Å; F448-W463 AromaticContact CE2-CZ2 3.46Å; F448-W463 HydrophobicContact CE2-CZ2 3.46Å; F448-W463 VanDerWaalsContact CE2-CZ2 3.46Å; F448-W463 AromaticContact CE2-CZ3 3.75Å; F448-W463 HydrophobicContact CE2-CZ3 3.75Å; F448-W463 AromaticContact CZ-CE2 3.99Å; F448-W463 AromaticContact CZ-CH2 3.45Å; F448-W463 HydrophobicContact CZ-CH2 3.45Å; F448-W463 VanDerWaalsContact CZ-CH2 3.45Å; F448-W463 AromaticContact CZ-CZ2 3.29Å; F448-W463 HydrophobicContact CZ-CZ2 3.29Å; F448-W463 HydrophobicContact CZ-CZ3 4.3Å; P460-W463 WeakPolarHBondContact O-CB 3.45Å; P460-W463 PolarHBondContact O-N 3.41Å; W463-C465 PolarHBondContact O-N 3.39Å; W463-F466 WeakPolarHBondContact O-CB 3.46Å; W463-F466 PolarHBondContact O-N 2.73Å; W463-L467 WeakPolarHBondContact O-CG 3.29Å; W463-L467 PolarHBondContact O-N 3.32Å; W463-L467 VanDerWaalsContact O-N 3.08Å; W463-L529 HydrophobicContact CZ3-CD2 4.49Å; W463-L532 HydrophobicContact CH2-CB 4.34Å; W463-W533 VanDerWaalsContact CH2-CA 3.49Å; W463-W533 HydrophobicContact CH2-CB 3.56Å; W463-W533 HydrophobicContact CH2-CG 4.34Å; W463-W533 HydrophobicContact CZ2-CB 3.92Å; W463-W533 AromaticContact CZ2-CD1 3.8Å; W463-W533 HydrophobicContact CZ2-CG 4.27Å; W463-W533 HydrophobicContact CZ3-CB 4.4Å
464	V	51.6	Low	46.7	Very low	102 Å²	102	92.4 Å²	92.4	62%	0.618	53%	0.528	S	S	*	.	H	α-helix	trans	-62.1	-43.3	175.2	-177.5	0	0	0	0	110.8	R462 F466 L467 G468	R462-V464 VanDerWaalsContact C-N 3.32Å; V464-F466 VanDerWaalsContact C-N 3.32Å; V464-F466 PolarHBondContact O-N 2.87Å; V464-L467 PolarHBondContact O-N 3.34Å; V464-G468 PolarHBondContact O-N 3.46Å
465	C	49.1	Very low	46	Very low	64 Å²	64	90.4 Å²	90.4	43%	0.432	53%	0.528	S	S	.	.	H	α-helix	trans	-62.3	-37.1	174.5	-61.2	0	0	0	0	113	R462 W463 G468 R469	R462-C465 PolarHBondContact O-N 2.9Å; W463-C465 PolarHBondContact O-N 3.39Å; C465-G468 PolarHBondContact O-N 2.96Å; C465-R469 PolarHBondContact O-N 3.24Å
466	F	53.4	Low	44.7	Very low	13 Å²	13	95.7 Å²	95.7	6%	0.057	54%	0.541	C	S	.	.	H	α-helix	trans	-65.1	-41.1	177.6	-178.1	-97.1	0	0	0	111.9	W447 F448 L452 R462 W463 V464 F525 L529 L532	W447-F466 HydrophobicContact CE3-CD2 4.48Å; F448-F466 HydrophobicContact CB-CE2 4.08Å; F448-F466 HydrophobicContact CB-CZ 4.39Å; F448-F466 HydrophobicContact CD2-CD2 4.44Å; F448-F466 HydrophobicContact CD2-CE2 4.37Å; L452-F466 HydrophobicContact CD1-CB 4.44Å; L452-F466 HydrophobicContact CD2-CB 3.65Å; L452-F466 HydrophobicContact CD2-CD2 4.15Å; L452-F466 HydrophobicContact CD2-CG 4.06Å; R462-F466 PolarHBondContact O-N 3.41Å; W463-F466 WeakPolarHBondContact O-CB 3.46Å; W463-F466 PolarHBondContact O-N 2.73Å; V464-F466 VanDerWaalsContact C-N 3.32Å; V464-F466 PolarHBondContact O-N 2.87Å; F466-F525 HydrophobicContact CD1-CZ 4.27Å; F466-F525 AromaticContact CE1-CE2 3.69Å; F466-F525 HydrophobicContact CE1-CE2 3.69Å; F466-F525 AromaticContact CE1-CZ 3.62Å; F466-F525 HydrophobicContact CE1-CZ 3.62Å; F466-F525 AromaticContact CZ-CE2 3.88Å; F466-F525 HydrophobicContact CZ-CE2 3.88Å; F466-F525 HydrophobicContact CZ-CZ 4.21Å; F466-L529 HydrophobicContact CD1-CD2 3.86Å; F466-L529 HydrophobicContact CE1-CD2 3.6Å; F466-L532 HydrophobicContact CE1-CD1 4.41Å; F466-L532 HydrophobicContact CZ-CD1 4.21Å
467	L	49	Very low	43.8	Very low	57 Å²	57	97.6 Å²	97.6	30%	0.298	53%	0.53	S	S	.	.	H	α-helix	trans	-66.8	-45.2	173.9	-67.3	168	0	0	0	111.7	W463 V464 R469 R470 M471 L529	W463-L467 WeakPolarHBondContact O-CG 3.29Å; W463-L467 PolarHBondContact O-N 3.32Å; W463-L467 VanDerWaalsContact O-N 3.08Å; V464-L467 PolarHBondContact O-N 3.34Å; L467-R469 VanDerWaalsContact C-N 3.26Å; L467-R469 PolarHBondContact O-N 2.89Å; L467-R470 PolarHBondContact O-N 2.83Å; L467-M471 VanDerWaalsContact O-CG 3.28Å; L467-M471 WeakPolarHBondContact O-CG 3.45Å; L467-M471 PolarHBondContact O-N 3.39Å; L467-L529 HydrophobicContact CD2-CD1 3.46Å; L467-L529 VanDerWaalsContact CD2-CD1 3.46Å; L467-L529 HydrophobicContact CD2-CD2 3.88Å; L467-L529 HydrophobicContact CD2-CG 4.32Å
468	G	41.8	Very low	42.6	Very low	48 Å²	48	100 Å²	100	50%	0.495	54%	0.539	S	S	.	.	H	α-helix	trans	-62.6	-28.3	-178	0	0	0	0	0	114.2	V464 C465 R470	V464-G468 PolarHBondContact O-N 3.46Å; C465-G468 PolarHBondContact O-N 2.96Å; G468-R470 VanDerWaalsContact C-N 3.29Å; G468-R470 PolarHBondContact O-N 3.07Å
469	R	45.8	Very low	41.3	Very low	134 Å²	134	100.3 Å²	100.3	51%	0.506	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-17	-178.6	-166.6	168.1	-174.8	-112.9	-2	114.2	C465 L467	C465-R469 PolarHBondContact O-N 3.24Å; L467-R469 VanDerWaalsContact C-N 3.26Å; L467-R469 PolarHBondContact O-N 2.89Å
470	R	46	Very low	40.2	Very low	122 Å²	122	97.9 Å²	97.9	46%	0.46	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.4	-9.2	-175.7	-72.1	-137.3	178.3	163.6	-2.7	115.6	L467 G468 V472 F525	L467-R470 PolarHBondContact O-N 2.83Å; G468-R470 VanDerWaalsContact C-N 3.29Å; G468-R470 PolarHBondContact O-N 3.07Å; R470-V472 PolarHBondContact O-N 3.39Å; R470-F525 HydrophobicContact CB-CE1 4.43Å; R470-F525 HydrophobicContact CB-CZ 4.38Å
471	M	34.5	Very low	39.4	Very low	128 Å²	128	95 Å²	95	63%	0.631	52%	0.517	S	S	*	.	S	Bend	trans	-88.6	11.9	-174.1	-73.7	-82	-144.4	0	0	114.9	L467 L526	L467-M471 VanDerWaalsContact O-CG 3.28Å; L467-M471 WeakPolarHBondContact O-CG 3.45Å; L467-M471 PolarHBondContact O-N 3.39Å; M471-L526 HydrophobicContact CE-CD2 4.35Å
472	V	27.8	Very low	38.6	Very low	118 Å²	118	92.7 Å²	92.7	72%	0.715	51%	0.511	S	S	*	.			trans	-123.7	100.3	-175.6	-173.5	0	0	0	0	111.1	R470	R470-V472 PolarHBondContact O-N 3.39Å
473	S	30.1	Very low	38	Very low	118 Å²	118	92.8 Å²	92.8	83%	0.825	52%	0.519	S	S	*	.			trans	-147.7	126.1	154.6	-71.9	0	0	0	0	107.8
474	G	28.8	Very low	37.4	Very low	63 Å²	63	95.6 Å²	95.6	65%	0.649	53%	0.534	S	S	*	.			trans	-167.8	-170	174.8	0	0	0	0	0	108.8
475	P	40.1	Very low	37.2	Very low	110 Å²	110	91.4 Å²	91.4	71%	0.714	51%	0.509	S	S	*	.			cis	-134.4	91.5	-47.6	33.3	-14.7	0	0	0	109.8
476	L	25.4	Very low	37.2	Very low	172 Å²	172	90.4 Å²	90.4	90%	0.901	50%	0.503	S	S	*	.			trans	-154.6	96	174.5	-82.9	169.5	0	0	0	109
477	W	30	Very low	37.1	Very low	158 Å²	158	94.8 Å²	94.8	60%	0.598	52%	0.524	S	S	*	.			trans	-154.5	92.3	161.4	-154.9	-79.3	0	0	0	110.7	G479 I481	W477-G479 PolarHBondContact NE1-O 2.81Å; W477-G479 VanDerWaalsContact NE1-O 3.11Å; W477-I481 HydrophobicContact CZ2-CD1 3.72Å; W477-I481 HydrophobicContact CZ2-CG1 4.34Å
478	D	25.4	Very low	37.3	Very low	148 Å²	148	99 Å²	99	79%	0.791	54%	0.542	S	S	*	.			trans	-111.3	119.1	154.6	-84.6	-30.7	0	0	0	106.1	C294	C294-D478 PolarHBondContact SG-O 3.12Å
479	G	27.1	Very low	38.1	Very low	19 Å²	19	98 Å²	98	20%	0.196	53%	0.525	C	S	.	.	S	Bend	trans	152.6	137.6	165.7	0	0	0	0	0	112.8	C294 W477	C294-G479 WeakPolarHBondContact SG-CA 3.29Å; W477-G479 PolarHBondContact NE1-O 2.81Å; W477-G479 VanDerWaalsContact NE1-O 3.11Å
480	D	29.7	Very low	38.9	Very low	91 Å²	91	93 Å²	93	49%	0.487	51%	0.511	S	S	.	.			trans	-60.9	131.8	-160.2	-64	-48.1	0	0	0	112.9	Q487	D480-Q487 VanDerWaalsContact CG-NE2 3.31Å; D480-Q487 PolarHBondContact OD1-NE2 2.9Å
481	I	37.1	Very low	39.8	Very low	42 Å²	42	92.1 Å²	92.1	22%	0.215	52%	0.519	C	S	.	.			trans	-125.8	140	175.9	-67.2	177.1	0	0	0	108.6	W477 F512 L717	W477-I481 HydrophobicContact CZ2-CD1 3.72Å; W477-I481 HydrophobicContact CZ2-CG1 4.34Å; I481-F512 HydrophobicContact CD1-CE1 3.58Å; I481-F512 HydrophobicContact CD1-CZ 3.73Å; I481-L717 HydrophobicContact CD1-CD1 4.44Å; I481-L717 HydrophobicContact CG2-CD2 3.26Å
482	P	35	Very low	41.5	Very low	87 Å²	87	92 Å²	92	57%	0.565	51%	0.514	S	S	*	.			trans	-84.6	129.1	-166.8	-6.8	25.9	0	0	0	115	E484	P482-E484 PolarHBondContact O-N 3.47Å
483	L	37.7	Very low	43.7	Very low	114 Å²	114	86.4 Å²	86.4	60%	0.597	48%	0.481	S	S	*	.	S	Bend		72	16	127.3	-98.1	113.2	0	0	0	124.1
484	E	40.9	Very low	45.8	Very low	99 Å²	99	87.7 Å²	87.7	46%	0.463	47%	0.468	S	S	.	.	S	Bend	trans	-109.6	-12.1	152	-144.2	169.6	-162.8	0	0	113.1	F403 P482	F403-E484 WeakPolarHBondContact CZ-OE2 3.08Å; P482-E484 PolarHBondContact O-N 3.47Å
485	S	47	Very low	48	Very low	14 Å²	14	89 Å²	89	10%	0.098	45%	0.453	C	S	.	.	S	Bend	trans	-111.3	133.1	159.4	60.8	0	0	0	0	106.9	Q487 P510 C511	S485-Q487 PolarHBondContact O-N 3.18Å; S485-P510 WeakPolarHBondContact CB-O 3.31Å; S485-C511 VanDerWaalsContact CB-O 3.22Å; S485-C511 WeakPolarHBondContact CB-O 3.39Å; S485-C511 PolarHBondContact OG-O 3.06Å
486	S	48.4	Very low	49.9	Very low	44 Å²	44	83.8 Å²	83.8	31%	0.308	42%	0.419	S	S	.	.			trans	-63.8	144.3	166.3	71	0	0	0	0	107.6	E488 D489 C490	S486-E488 PolarHBondContact O-N 2.84Å; S486-E488 VanDerWaalsContact O-N 3.16Å; S486-D489 WeakPolarHBondContact CB-OD2 3.49Å; S486-D489 PolarHBondContact N-OD2 2.91Å; S486-D489 WeakPolarHBondContact O-CB 3.35Å; S486-D489 PolarHBondContact O-N 3.04Å; S486-D489 WeakPolarHBondContact OG-CB 2.99Å; S486-D489 PolarHBondContact OG-N 3.2Å; S486-D489 PolarHBondContact OG-OD1 3.38Å; S486-D489 PolarHBondContact OG-OD2 3.46Å; S486-C490 PolarHBondContact O-N 3.29Å
487	Q	50.8	Low	52.4	Low	105 Å²	105	76.6 Å²	76.6	49%	0.491	38%	0.382	S	S	.	.	H	α-helix	trans	-51.8	-37.6	172.9	-169.3	-175.6	5.7	0	0	109.9	D480 S485 D489 C490 V491	D480-Q487 VanDerWaalsContact CG-NE2 3.31Å; D480-Q487 PolarHBondContact OD1-NE2 2.9Å; S485-Q487 PolarHBondContact O-N 3.18Å; Q487-D489 PolarHBondContact O-N 3.34Å; Q487-C490 PolarHBondContact O-N 2.99Å; Q487-V491 VanDerWaalsContact O-CG2 3.28Å; Q487-V491 WeakPolarHBondContact O-CG2 3.31Å; Q487-V491 PolarHBondContact O-N 2.76Å
488	E	53.8	Low	54.6	Low	144 Å²	144	74 Å²	74	67%	0.673	38%	0.379	S	S	*	.	H	α-helix	trans	-60.7	-40.7	174.2	-60.2	-175.2	174.5	0	0	114	S486	S486-E488 PolarHBondContact O-N 2.84Å; S486-E488 VanDerWaalsContact O-N 3.16Å
489	D	58.2	Low	57.3	Low	27 Å²	27	71.7 Å²	71.7	14%	0.144	37%	0.366	C	S	.	.	H	α-helix	trans	-66.9	-42.8	176.7	-68.2	-31.2	0	0	0	110.7	S486 Q487 K492 S493 Q509	S486-D489 WeakPolarHBondContact CB-OD2 3.49Å; S486-D489 PolarHBondContact N-OD2 2.91Å; S486-D489 WeakPolarHBondContact O-CB 3.35Å; S486-D489 PolarHBondContact O-N 3.04Å; S486-D489 WeakPolarHBondContact OG-CB 2.99Å; S486-D489 PolarHBondContact OG-N 3.2Å; S486-D489 PolarHBondContact OG-OD1 3.38Å; S486-D489 PolarHBondContact OG-OD2 3.46Å; Q487-D489 PolarHBondContact O-N 3.34Å; D489-K492 PolarHBondContact O-N 3.46Å; D489-S493 PolarHBondContact O-N 3.24Å; D489-S493 PolarHBondContact O-OG 3.48Å; D489-S493 VanDerWaalsContact O-OG 3.04Å; D489-Q509 HydrophobicContact CB-CB 3.8Å; D489-Q509 HydrophobicContact CB-CG 4.28Å; D489-Q509 WeakPolarHBondContact OD1-CG 3.3Å; D489-Q509 PolarHBondContact OD1-NE2 3.44Å
490	C	63.6	Low	59.9	Low	31 Å²	31	74.1 Å²	74.1	21%	0.209	37%	0.372	C	S	.	.	H	α-helix	trans	-65.4	-42.9	-179.4	179.7	0	0	0	0	112.3	S486 Q487 K492 S493 W494 C511	S486-C490 PolarHBondContact O-N 3.29Å; Q487-C490 PolarHBondContact O-N 2.99Å; C490-K492 PolarHBondContact O-N 3.49Å; C490-K492 VanDerWaalsContact O-N 3.09Å; C490-S493 PolarHBondContact O-N 3.16Å; C490-S493 VanDerWaalsContact O-N 3.12Å; C490-W494 WeakPolarHBondContact O-CB 3.28Å; C490-W494 PolarHBondContact O-N 2.9Å; C490-C511 HydrophobicContact CB-CB 3.52Å; C490-C511 WeakPolarHBondContact CB-SG 3.28Å; C490-C511 WeakPolarHBondContact SG-CB 3.4Å; C490-C511 CovalentContact SG-SG 2.02Å; C490-C511 PolarHBondContact SG-SG 2.8Å
491	V	64.8	Low	62.6	Low	103 Å²	103	73 Å²	73	62%	0.624	37%	0.365	S	S	*	.	H	α-helix	trans	-55	-31.4	177	169.8	0	0	0	0	111.6	Q487	Q487-V491 VanDerWaalsContact O-CG2 3.28Å; Q487-V491 WeakPolarHBondContact O-CG2 3.31Å; Q487-V491 PolarHBondContact O-N 2.76Å
492	K	69.4	Low	64.7	Low	124 Å²	124	71.6 Å²	71.6	54%	0.539	36%	0.358	S	S	.	.	H	α-helix	trans	-86	-36.1	177.7	-66.2	174.6	-175.2	167.1	0	113.7	D489 C490 W495	D489-K492 PolarHBondContact O-N 3.46Å; C490-K492 PolarHBondContact O-N 3.49Å; C490-K492 VanDerWaalsContact O-N 3.09Å; K492-W495 PolarHBondContact O-NE1 3.5Å
493	S	74	Confident	67.2	Low	2 Å²	2	67.5 Å²	67.5	1%	0.014	33%	0.331	C	S	.	.	H	α-helix	trans	-108	-0.8	-168.3	73.3	0	0	0	0	115.6	D489 C490 W495 V496 Q509 C511	D489-S493 PolarHBondContact O-N 3.24Å; D489-S493 PolarHBondContact O-OG 3.48Å; D489-S493 VanDerWaalsContact O-OG 3.04Å; C490-S493 PolarHBondContact O-N 3.16Å; C490-S493 VanDerWaalsContact O-N 3.12Å; S493-W495 VanDerWaalsContact C-N 3.31Å; S493-W495 PolarHBondContact O-N 2.04Å; S493-V496 VanDerWaalsContact O-CB 3.28Å; S493-V496 WeakPolarHBondContact O-CB 3.33Å; S493-V496 WeakPolarHBondContact O-CG2 3.44Å; S493-V496 PolarHBondContact O-N 2.87Å; S493-V496 VanDerWaalsContact O-N 3.08Å; S493-Q509 WeakPolarHBondContact CB-O 3.29Å; S493-Q509 PolarHBondContact OG-O 2.84Å; S493-C511 PolarHBondContact OG-N 3.08Å
494	W	74.4	Confident	69.6	Low	144 Å²	144	67.3 Å²	67.3	55%	0.545	33%	0.325	S	S	.	.	H	α-helix	trans	-53	-43.7	-175.6	71	-92.9	0	0	0	113.5	C490 V496 N497	C490-W494 WeakPolarHBondContact O-CB 3.28Å; C490-W494 PolarHBondContact O-N 2.9Å; W494-V496 PolarHBondContact O-N 3.46Å; W494-V496 VanDerWaalsContact O-N 3.16Å; W494-N497 WeakPolarHBondContact O-CB 3.4Å; W494-N497 PolarHBondContact O-N 2.96Å
495	W	75.9	Confident	71.7	Confident	91 Å²	91	66.1 Å²	66.1	35%	0.345	32%	0.322	S	S	.	.	H	α-helix	trans	-62	-26.3	-176.6	62	-91	0	0	0	112.8	K492 S493 N497 L498 L499 L505 Y506	K492-W495 PolarHBondContact O-NE1 3.5Å; S493-W495 VanDerWaalsContact C-N 3.31Å; S493-W495 PolarHBondContact O-N 2.04Å; W495-N497 VanDerWaalsContact C-N 3.32Å; W495-N497 PolarHBondContact O-N 3.37Å; W495-L498 WeakPolarHBondContact O-CB 3.43Å; W495-L498 PolarHBondContact O-N 2.74Å; W495-L499 HydrophobicContact CE3-CD1 4.06Å; W495-L499 HydrophobicContact CZ3-CD1 4.29Å; W495-L499 PolarHBondContact O-N 3.03Å; W495-L505 HydrophobicContact CH2-CD1 4.21Å; W495-Y506 HydrophobicContact CH2-CE2 4.28Å; W495-Y506 HydrophobicContact CZ2-CD2 4.42Å; W495-Y506 AromaticContact CZ2-CE2 3.61Å; W495-Y506 HydrophobicContact CZ2-CE2 3.61Å
496	V	79.7	Confident	73	Confident	1 Å²	1	70.6 Å²	70.6	1%	0.006	34%	0.337	C	S	.	.	H	α-helix	trans	-68.5	-34.7	179.2	-171.2	0	0	0	0	110.7	S493 W494 L499 F500 L501 Q502 L505 Y506	S493-V496 VanDerWaalsContact O-CB 3.28Å; S493-V496 WeakPolarHBondContact O-CB 3.33Å; S493-V496 WeakPolarHBondContact O-CG2 3.44Å; S493-V496 PolarHBondContact O-N 2.87Å; S493-V496 VanDerWaalsContact O-N 3.08Å; W494-V496 PolarHBondContact O-N 3.46Å; W494-V496 VanDerWaalsContact O-N 3.16Å; V496-L499 PolarHBondContact O-N 2.64Å; V496-F500 PolarHBondContact O-N 3.1Å; V496-F500 VanDerWaalsContact O-N 3.15Å; V496-L501 HydrophobicContact CG1-CB 3.74Å; V496-L501 PolarHBondContact O-N 2.95Å; V496-Q502 HydrophobicContact CG1-CB 4.03Å; V496-Q502 VanDerWaalsContact CG1-N 3.35Å; V496-L505 HydrophobicContact CG1-CB 3.9Å; V496-Y506 HydrophobicContact CG2-CD2 3.59Å; V496-Y506 HydrophobicContact CG2-CE2 4.05Å; V496-Y506 HydrophobicContact CG2-CG 4.46Å
497	N	77.1	Confident	74.2	Confident	20 Å²	20	69.9 Å²	69.9	11%	0.107	33%	0.331	C	S	.	.	H	α-helix	trans	-70.4	-35.6	176.5	-63.8	-71	0	0	0	111.7	W494 W495 L499 F500 Q502 C511 S515	W494-N497 WeakPolarHBondContact O-CB 3.4Å; W494-N497 PolarHBondContact O-N 2.96Å; W495-N497 VanDerWaalsContact C-N 3.32Å; W495-N497 PolarHBondContact O-N 3.37Å; N497-L499 VanDerWaalsContact C-N 3.29Å; N497-L499 PolarHBondContact O-N 3Å; N497-F500 PolarHBondContact O-N 3.25Å; N497-F500 VanDerWaalsContact O-N 3.16Å; N497-Q502 VanDerWaalsContact OD1-CD 3.32Å; N497-Q502 WeakPolarHBondContact OD1-CG 3.49Å; N497-Q502 PolarHBondContact OD1-NE2 3.24Å; N497-Q502 VanDerWaalsContact OD1-NE2 3.16Å; N497-C511 WeakPolarHBondContact ND2-CB 3.21Å; N497-S515 PolarHBondContact OD1-OG 3.16Å
498	L	77.4	Confident	75.1	Confident	104 Å²	104	70.6 Å²	70.6	55%	0.545	34%	0.335	S	S	.	.	H	α-helix	trans	-63.2	-36.8	175.8	-169.8	109.4	0	0	0	111.7	W495 F500	W495-L498 WeakPolarHBondContact O-CB 3.43Å; W495-L498 PolarHBondContact O-N 2.74Å; L498-F500 VanDerWaalsContact C-N 3.34Å
499	L	80.6	Confident	75.7	Confident	100 Å²	100	66.3 Å²	66.3	52%	0.524	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	0.6	176.9	-62.5	179.8	0	0	0	113.7	W495 V496 N497 L501	W495-L499 HydrophobicContact CE3-CD1 4.06Å; W495-L499 HydrophobicContact CZ3-CD1 4.29Å; W495-L499 PolarHBondContact O-N 3.03Å; V496-L499 PolarHBondContact O-N 2.64Å; N497-L499 VanDerWaalsContact C-N 3.29Å; N497-L499 PolarHBondContact O-N 3Å; L499-L501 VanDerWaalsContact C-N 3.26Å; L499-L501 HydrophobicContact CB-CD1 3.97Å; L499-L501 HydrophobicContact CB-CG 3.97Å; L499-L501 HydrophobicContact CD1-CD1 4.23Å; L499-L501 PolarHBondContact O-N 3.04Å
500	F	83.4	Confident	76.1	Confident	70 Å²	70	66.6 Å²	66.6	31%	0.307	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	36.5	-174.1	-57.8	-74.4	0	0	0	113.8	V496 N497 L498 V518 A519 V522 Q523	V496-F500 PolarHBondContact O-N 3.1Å; V496-F500 VanDerWaalsContact O-N 3.15Å; N497-F500 PolarHBondContact O-N 3.25Å; N497-F500 VanDerWaalsContact O-N 3.16Å; L498-F500 VanDerWaalsContact C-N 3.34Å; F500-V518 HydrophobicContact CD1-CG1 4.49Å; F500-V518 HydrophobicContact CE1-CG1 3.8Å; F500-A519 HydrophobicContact CB-CB 3.89Å; F500-A519 HydrophobicContact CD1-CB 3.98Å; F500-A519 HydrophobicContact CG-CB 4.44Å; F500-V522 HydrophobicContact CD1-CG2 4.25Å; F500-V522 HydrophobicContact CD2-CB 4.38Å; F500-V522 HydrophobicContact CD2-CG1 4.07Å; F500-V522 HydrophobicContact CD2-CG2 4.25Å; F500-V522 HydrophobicContact CE1-CG2 4.2Å; F500-V522 HydrophobicContact CE2-CG2 4.2Å; F500-V522 HydrophobicContact CG-CB 4.26Å; F500-V522 HydrophobicContact CG-CG1 4.37Å; F500-V522 HydrophobicContact CG-CG2 4.27Å; F500-V522 HydrophobicContact CZ-CG2 4.16Å; F500-Q523 PolarHBondContact O-NE2 2.63Å
501	L	86.6	Confident	76	Confident	66 Å²	66	65.6 Å²	65.6	35%	0.346	31%	0.311	S	S	.	.			trans	-104.1	3.8	-178.2	-66.7	178.2	0	0	0	113.8	V496 L499 N503 F504 L505	V496-L501 HydrophobicContact CG1-CB 3.74Å; V496-L501 PolarHBondContact O-N 2.95Å; L499-L501 VanDerWaalsContact C-N 3.26Å; L499-L501 HydrophobicContact CB-CD1 3.97Å; L499-L501 HydrophobicContact CB-CG 3.97Å; L499-L501 HydrophobicContact CD1-CD1 4.23Å; L499-L501 PolarHBondContact O-N 3.04Å; L501-N503 PolarHBondContact O-N 3.36Å; L501-N503 VanDerWaalsContact O-N 3.16Å; L501-F504 PolarHBondContact O-N 3.46Å; L501-L505 HydrophobicContact CB-CD1 4.24Å; L501-L505 HydrophobicContact CD1-CD1 4.24Å; L501-L505 PolarHBondContact O-N 2.85Å
502	Q	80.1	Confident	76.2	Confident	13 Å²	13	63.2 Å²	63.2	6%	0.061	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-18.6	-170.4	68.7	-88.1	43.6	0	0	113.3	V496 N497 F504 S515 A519	V496-Q502 HydrophobicContact CG1-CB 4.03Å; V496-Q502 VanDerWaalsContact CG1-N 3.35Å; N497-Q502 VanDerWaalsContact OD1-CD 3.32Å; N497-Q502 WeakPolarHBondContact OD1-CG 3.49Å; N497-Q502 PolarHBondContact OD1-NE2 3.24Å; N497-Q502 VanDerWaalsContact OD1-NE2 3.16Å; Q502-F504 PolarHBondContact O-N 3.23Å; Q502-S515 PolarHBondContact NE2-OG 3.18Å; Q502-A519 VanDerWaalsContact CD-CB 3.41Å; Q502-A519 HydrophobicContact CG-CB 4.38Å
503	N	87.7	Confident	76.2	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.005	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-17.8	174.2	-62.6	-12.4	0	0	0	112.2	L501 W516 A520 Q523 K592	L501-N503 PolarHBondContact O-N 3.36Å; L501-N503 VanDerWaalsContact O-N 3.16Å; N503-W516 PolarHBondContact ND2-O 3.34Å; N503-W516 VanDerWaalsContact OD1-CA 3.26Å; N503-W516 WeakPolarHBondContact OD1-CA 3.24Å; N503-W516 WeakPolarHBondContact OD1-CB 3.38Å; N503-W516 PolarHBondContact OD1-O 2.88Å; N503-A520 PolarHBondContact ND2-N 3.3Å; N503-Q523 PolarHBondContact ND2-OE1 2.91Å; N503-Q523 VanDerWaalsContact ND2-OE1 3.07Å; N503-K592 WeakPolarHBondContact O-CD 3.47Å; N503-K592 PolarHBondContact O-NZ 2.93Å
504	F	87.8	Confident	76.4	Confident	110 Å²	110	59.6 Å²	59.6	48%	0.482	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.8	-40	-177.3	-60.9	-71.5	0	0	0	113	L501 Q502 P593	L501-F504 PolarHBondContact O-N 3.46Å; Q502-F504 PolarHBondContact O-N 3.23Å; F504-P593 HydrophobicContact CE1-CG 4.35Å; F504-P593 HydrophobicContact CE2-CG 4.04Å; F504-P593 HydrophobicContact CZ-CG 3.48Å; F504-P593 VanDerWaalsContact CZ-CG 3.48Å
505	L	84.7	Confident	76.8	Confident	75 Å²	75	53.4 Å²	53.4	39%	0.393	26%	0.263	S	S	.	.	S	Bend	trans	-106.4	143.9	-178	-55.9	178.9	0	0	0	110.6	W495 V496 L501 V507	W495-L505 HydrophobicContact CH2-CD1 4.21Å; V496-L505 HydrophobicContact CG1-CB 3.9Å; L501-L505 HydrophobicContact CB-CD1 4.24Å; L501-L505 HydrophobicContact CD1-CD1 4.24Å; L501-L505 PolarHBondContact O-N 2.85Å; L505-V507 PolarHBondContact O-N 3.48Å; L505-V507 VanDerWaalsContact O-N 3.16Å
506	Y	74.2	Confident	77.3	Confident	107 Å²	107	49.7 Å²	49.7	42%	0.42	25%	0.249	S	C	.	.	S	Bend	trans	52.8	33.3	178.5	-61.8	-90.2	0	0	0	114.6	W495 V496 Q508 Q509	W495-Y506 HydrophobicContact CH2-CE2 4.28Å; W495-Y506 HydrophobicContact CZ2-CD2 4.42Å; W495-Y506 AromaticContact CZ2-CE2 3.61Å; W495-Y506 HydrophobicContact CZ2-CE2 3.61Å; V496-Y506 HydrophobicContact CG2-CD2 3.59Å; V496-Y506 HydrophobicContact CG2-CE2 4.05Å; V496-Y506 HydrophobicContact CG2-CG 4.46Å; Y506-Q508 PolarHBondContact O-N 3.42Å; Y506-Q508 VanDerWaalsContact O-N 3.16Å; Y506-Q509 CarbonylContact O-C 3.58Å; Y506-Q509 VanDerWaalsContact O-C 3.24Å; Y506-Q509 PolarHBondContact O-N 2.7Å
507	V	75.1	Confident	77.7	Confident	29 Å²	29	51.4 Å²	51.4	18%	0.176	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-32.4	-177.2	177.7	0	0	0	0	112.8	L505 Q509 R587 I591	L505-V507 PolarHBondContact O-N 3.48Å; L505-V507 VanDerWaalsContact O-N 3.16Å; V507-Q509 VanDerWaalsContact C-N 3.29Å; V507-R587 HydrophobicContact CG1-CB 4.36Å; V507-R587 HydrophobicContact CG1-CG 3.68Å; V507-I591 HydrophobicContact CB-CD1 4.41Å; V507-I591 HydrophobicContact CG1-CD1 3.24Å; V507-I591 HydrophobicContact CG2-CD1 4.38Å
508	Q	68	Low	78.1	Confident	121 Å²	121	51.1 Å²	51.1	57%	0.565	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-20.3	179.1	-67.8	178.4	-18.3	0	0	113.1	Y506	Y506-Q508 PolarHBondContact O-N 3.42Å; Y506-Q508 VanDerWaalsContact O-N 3.16Å
509	Q	67	Low	78.6	Confident	54 Å²	54	46.2 Å²	46.2	25%	0.252	23%	0.229	S	C	.	.	S	Bend	trans	-136.9	58.6	-171	-71.1	-177.9	-30.3	0	0	110.7	D489 S493 Y506 V507	D489-Q509 HydrophobicContact CB-CB 3.8Å; D489-Q509 HydrophobicContact CB-CG 4.28Å; D489-Q509 WeakPolarHBondContact OD1-CG 3.3Å; D489-Q509 PolarHBondContact OD1-NE2 3.44Å; S493-Q509 WeakPolarHBondContact CB-O 3.29Å; S493-Q509 PolarHBondContact OG-O 2.84Å; Y506-Q509 CarbonylContact O-C 3.58Å; Y506-Q509 VanDerWaalsContact O-C 3.24Å; Y506-Q509 PolarHBondContact O-N 2.7Å; V507-Q509 VanDerWaalsContact C-N 3.29Å
510	P	66.1	Low	79.1	Confident	33 Å²	33	41.4 Å²	41.4	21%	0.214	20%	0.204	C	C	.	.			trans	-77	130.9	-176.5	31.5	-33	0	0	0	110.5	S485 F512	S485-P510 WeakPolarHBondContact CB-O 3.31Å; P510-F512 VanDerWaalsContact C-N 3.33Å; P510-F512 PolarHBondContact O-N 3.2Å
511	C	62	Low	79.4	Confident	9 Å²	9	40.2 Å²	40.2	6%	0.061	20%	0.199	C	C	.	.	S	Bend	trans	-59.6	-42.3	171.7	178.5	0	0	0	0	112.5	S485 C490 S493 N497	S485-C511 VanDerWaalsContact CB-O 3.22Å; S485-C511 WeakPolarHBondContact CB-O 3.39Å; S485-C511 PolarHBondContact OG-O 3.06Å; C490-C511 HydrophobicContact CB-CB 3.52Å; C490-C511 WeakPolarHBondContact CB-SG 3.28Å; C490-C511 WeakPolarHBondContact SG-CB 3.4Å; C490-C511 CovalentContact SG-SG 2.02Å; C490-C511 PolarHBondContact SG-SG 2.8Å; S493-C511 PolarHBondContact OG-N 3.08Å; N497-C511 WeakPolarHBondContact ND2-CB 3.21Å
512	F	70.2	Confident	79.4	Confident	54 Å²	54	39.2 Å²	39.2	24%	0.237	20%	0.196	C	C	.	.	S	Bend	trans	-121.5	86.2	177.2	-75.4	-72.9	0	0	0	110.1	I481 P510 W514 S515	I481-F512 HydrophobicContact CD1-CE1 3.58Å; I481-F512 HydrophobicContact CD1-CZ 3.73Å; P510-F512 VanDerWaalsContact C-N 3.33Å; P510-F512 PolarHBondContact O-N 3.2Å; F512-W514 VanDerWaalsContact C-N 3.26Å; F512-W514 AromaticContact CD1-CH2 3.91Å; F512-W514 HydrophobicContact CD1-CH2 3.91Å; F512-W514 AromaticContact CD1-CZ2 3.53Å; F512-W514 HydrophobicContact CD1-CZ2 3.53Å; F512-W514 HydrophobicContact CE1-CH2 4.45Å; F512-W514 HydrophobicContact CE1-CZ2 4.05Å; F512-W514 PolarHBondContact O-N 3.04Å; F512-W514 VanDerWaalsContact O-N 3.16Å; F512-S515 WeakPolarHBondContact CB-OG 3.32Å; F512-S515 WeakPolarHBondContact O-CB 3.15Å; F512-S515 PolarHBondContact O-N 3.12Å; F512-S515 PolarHBondContact O-OG 3.28Å
513	G	69.2	Low	79.9	Confident	28 Å²	28	40 Å²	40	29%	0.289	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-50.3	-42.3	-174.7	0	0	0	0	0	113.7	W516	G513-W516 VanDerWaalsContact O-CD1 3.24Å
514	W	76.7	Confident	80.1	Confident	22 Å²	22	40.5 Å²	40.5	8%	0.083	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-80.3	-11.2	-179.5	59.2	96.4	0	0	0	115	F512 W516 F517 L713 P716 L717	F512-W514 VanDerWaalsContact C-N 3.26Å; F512-W514 AromaticContact CD1-CH2 3.91Å; F512-W514 HydrophobicContact CD1-CH2 3.91Å; F512-W514 AromaticContact CD1-CZ2 3.53Å; F512-W514 HydrophobicContact CD1-CZ2 3.53Å; F512-W514 HydrophobicContact CE1-CH2 4.45Å; F512-W514 HydrophobicContact CE1-CZ2 4.05Å; F512-W514 PolarHBondContact O-N 3.04Å; F512-W514 VanDerWaalsContact O-N 3.16Å; W514-W516 PolarHBondContact O-N 2.97Å; W514-W516 VanDerWaalsContact O-N 3.15Å; W514-F517 WeakPolarHBondContact O-CD1 3.49Å; W514-L713 PolarHBondContact NE1-O 3.42Å; W514-L713 VanDerWaalsContact NE1-O 3.1Å; W514-P716 HydrophobicContact CB-CG 3.88Å; W514-P716 HydrophobicContact CD2-CB 3.76Å; W514-P716 HydrophobicContact CD2-CG 3.73Å; W514-P716 HydrophobicContact CE3-CB 3.78Å; W514-P716 HydrophobicContact CE3-CG 4.24Å; W514-P716 HydrophobicContact CG-CB 4.11Å; W514-P716 HydrophobicContact CG-CG 3.55Å; W514-P716 HydrophobicContact CZ3-CB 4.29Å; W514-L717 HydrophobicContact CH2-CD2 3.26Å; W514-L717 HydrophobicContact CH2-CG 4.07Å; W514-L717 HydrophobicContact CZ2-CD1 4.3Å; W514-L717 HydrophobicContact CZ2-CD2 3.41Å; W514-L717 VanDerWaalsContact CZ2-CD2 3.41Å; W514-L717 HydrophobicContact CZ2-CG 3.71Å; W514-L717 HydrophobicContact CZ3-CD2 4.34Å
515	S	83.2	Confident	80.2	Confident	14 Å²	14	35.9 Å²	35.9	10%	0.098	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-72.3	-5.4	-177.2	70.8	0	0	0	0	114.2	N497 Q502 F512 F517 V518 A519	N497-S515 PolarHBondContact OD1-OG 3.16Å; Q502-S515 PolarHBondContact NE2-OG 3.18Å; F512-S515 WeakPolarHBondContact CB-OG 3.32Å; F512-S515 WeakPolarHBondContact O-CB 3.15Å; F512-S515 PolarHBondContact O-N 3.12Å; F512-S515 PolarHBondContact O-OG 3.28Å; S515-F517 PolarHBondContact O-N 3.31Å; S515-F517 VanDerWaalsContact O-N 3.11Å; S515-V518 PolarHBondContact O-N 3.49Å; S515-A519 PolarHBondContact O-N 3.02Å
516	W	86.8	Confident	80.3	Confident	13 Å²	13	36.5 Å²	36.5	5%	0.049	19%	0.186	C	C	.	.	H	α-helix	trans	-50.2	-37	178.3	68	-98.6	0	0	0	112.5	A433 F437 N503 G513 W514 A519 A520 F590 I591 H596	A433-W516 HydrophobicContact CB-CH2 4.06Å; F437-W516 HydrophobicContact CE2-CH2 4.48Å; F437-W516 HydrophobicContact CE2-CZ3 4.12Å; F437-W516 HydrophobicContact CZ-CZ3 4.17Å; N503-W516 PolarHBondContact ND2-O 3.34Å; N503-W516 VanDerWaalsContact OD1-CA 3.26Å; N503-W516 WeakPolarHBondContact OD1-CA 3.24Å; N503-W516 WeakPolarHBondContact OD1-CB 3.38Å; N503-W516 PolarHBondContact OD1-O 2.88Å; G513-W516 VanDerWaalsContact O-CD1 3.24Å; W514-W516 PolarHBondContact O-N 2.97Å; W514-W516 VanDerWaalsContact O-N 3.15Å; W516-A519 PolarHBondContact O-N 3.23Å; W516-A520 VanDerWaalsContact O-CB 3.28Å; W516-A520 WeakPolarHBondContact O-CB 3.47Å; W516-A520 PolarHBondContact O-N 2.89Å; W516-F590 HydrophobicContact CH2-CD1 4.48Å; W516-F590 AromaticContact CH2-CE1 3.86Å; W516-F590 HydrophobicContact CH2-CE1 3.86Å; W516-F590 HydrophobicContact CH2-CZ 4.2Å; W516-F590 HydrophobicContact CZ2-CD1 4.24Å; W516-F590 AromaticContact CZ2-CE1 3.44Å; W516-F590 HydrophobicContact CZ2-CE1 3.44Å; W516-F590 VanDerWaalsContact CZ2-CE1 3.44Å; W516-F590 HydrophobicContact CZ2-CZ 4.04Å; W516-I591 HydrophobicContact CB-CB 4.14Å; W516-I591 HydrophobicContact CB-CG2 4.31Å; W516-I591 HydrophobicContact CD2-CB 4.45Å; W516-I591 HydrophobicContact CD2-CG2 4.35Å; W516-I591 HydrophobicContact CG-CB 4.26Å; W516-I591 HydrophobicContact CG-CG2 4.06Å; W516-H596 AromaticContact CH2-NE2 3.66Å; W516-H596 AromaticContact CZ3-CD2 3.72Å; W516-H596 AromaticContact CZ3-NE2 3.39Å; W516-H596 WeakPolarHBondContact CZ3-NE2 3.48Å
517	F	87.4	Confident	80.9	Confident	36 Å²	36	35.3 Å²	35.3	16%	0.158	19%	0.19	C	C	.	.	H	α-helix	trans	-68.8	-38.1	-177.7	83.9	-95.6	0	0	0	111.6	F437 W514 S515 A520 E521 A712	F437-F517 HydrophobicContact CZ-CB 4.42Å; W514-F517 WeakPolarHBondContact O-CD1 3.49Å; S515-F517 PolarHBondContact O-N 3.31Å; S515-F517 VanDerWaalsContact O-N 3.11Å; F517-A520 PolarHBondContact O-N 2.91Å; F517-E521 WeakPolarHBondContact O-CB 3.17Å; F517-E521 PolarHBondContact O-N 3.47Å; F517-A712 HydrophobicContact CE1-CB 4.41Å; F517-A712 HydrophobicContact CE2-CB 4.43Å; F517-A712 HydrophobicContact CZ-CB 3.69Å
518	V	86.5	Confident	81.5	Confident	15 Å²	15	34 Å²	34	9%	0.091	18%	0.182	C	C	.	.	H	α-helix	trans	-66.8	-44.7	177.9	-175.7	0	0	0	0	109.5	F500 S515 E521 V522 L713	F500-V518 HydrophobicContact CD1-CG1 4.49Å; F500-V518 HydrophobicContact CE1-CG1 3.8Å; S515-V518 PolarHBondContact O-N 3.49Å; V518-E521 WeakPolarHBondContact O-CB 3.42Å; V518-E521 PolarHBondContact O-N 3.38Å; V518-V522 WeakPolarHBondContact O-CG2 3.44Å; V518-V522 PolarHBondContact O-N 3.41Å; V518-V522 VanDerWaalsContact O-N 3.09Å; V518-L713 HydrophobicContact CG2-CD2 4.1Å
519	A	87.5	Confident	82.3	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-62.6	-43.7	175.8	0	0	0	0	0	112.2	F500 Q502 S515 W516 E521 V522 Q523	F500-A519 HydrophobicContact CB-CB 3.89Å; F500-A519 HydrophobicContact CD1-CB 3.98Å; F500-A519 HydrophobicContact CG-CB 4.44Å; Q502-A519 VanDerWaalsContact CD-CB 3.41Å; Q502-A519 HydrophobicContact CG-CB 4.38Å; S515-A519 PolarHBondContact O-N 3.02Å; W516-A519 PolarHBondContact O-N 3.23Å; A519-E521 VanDerWaalsContact C-N 3.28Å; A519-E521 PolarHBondContact O-N 3.25Å; A519-V522 PolarHBondContact O-N 3.26Å; A519-Q523 WeakPolarHBondContact O-CB 3.36Å; A519-Q523 VanDerWaalsContact O-CD 3.27Å; A519-Q523 WeakPolarHBondContact O-CG 3.41Å; A519-Q523 PolarHBondContact O-N 2.78Å
520	A	91.7	Very high	83.2	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.3	-36.5	175.9	0	0	0	0	0	111.6	F437 N503 W516 F517 Q523 C524 P593	F437-A520 HydrophobicContact CE1-CB 3.79Å; F437-A520 HydrophobicContact CZ-CB 3.7Å; N503-A520 PolarHBondContact ND2-N 3.3Å; W516-A520 VanDerWaalsContact O-CB 3.28Å; W516-A520 WeakPolarHBondContact O-CB 3.47Å; W516-A520 PolarHBondContact O-N 2.89Å; F517-A520 PolarHBondContact O-N 2.91Å; A520-Q523 PolarHBondContact O-N 2.75Å; A520-C524 VanDerWaalsContact O-CB 3.32Å; A520-C524 WeakPolarHBondContact O-CB 3.33Å; A520-C524 PolarHBondContact O-N 2.75Å; A520-C524 PolarHBondContact O-SG 3.3Å; A520-P593 HydrophobicContact CB-CB 4.33Å
521	E	88.2	Confident	84.2	Confident	44 Å²	44	29.3 Å²	29.3	21%	0.206	17%	0.169	C	C	.	.	H	α-helix	trans	-64.2	-45.3	176.7	-174.4	-178.9	-177.8	0	0	111.7	F437 S440 F517 V518 A519 C524 F525 Y600	F437-E521 HydrophobicContact CE1-CB 4.37Å; S440-E521 WeakPolarHBondContact CB-OE1 3.21Å; S440-E521 VanDerWaalsContact OG-CD 3.32Å; S440-E521 PolarHBondContact OG-OE1 2.85Å; F517-E521 WeakPolarHBondContact O-CB 3.17Å; F517-E521 PolarHBondContact O-N 3.47Å; V518-E521 WeakPolarHBondContact O-CB 3.42Å; V518-E521 PolarHBondContact O-N 3.38Å; A519-E521 VanDerWaalsContact C-N 3.28Å; A519-E521 PolarHBondContact O-N 3.25Å; E521-C524 PolarHBondContact O-N 3.28Å; E521-F525 VanDerWaalsContact O-CB 3.29Å; E521-F525 WeakPolarHBondContact O-CB 3.29Å; E521-F525 PolarHBondContact O-N 3.31Å; E521-Y600 HydrophobicContact CG-CE2 4.49Å
522	V	88.1	Confident	85.4	Confident	46 Å²	46	28.9 Å²	28.9	28%	0.279	17%	0.166	S	C	.	.	H	α-helix	trans	-64.4	-44.6	176.8	175.5	0	0	0	0	110.8	F500 V518 A519 C524 F525 L526	F500-V522 HydrophobicContact CD1-CG2 4.25Å; F500-V522 HydrophobicContact CD2-CB 4.38Å; F500-V522 HydrophobicContact CD2-CG1 4.07Å; F500-V522 HydrophobicContact CD2-CG2 4.25Å; F500-V522 HydrophobicContact CE1-CG2 4.2Å; F500-V522 HydrophobicContact CE2-CG2 4.2Å; F500-V522 HydrophobicContact CG-CB 4.26Å; F500-V522 HydrophobicContact CG-CG1 4.37Å; F500-V522 HydrophobicContact CG-CG2 4.27Å; F500-V522 HydrophobicContact CZ-CG2 4.16Å; V518-V522 WeakPolarHBondContact O-CG2 3.44Å; V518-V522 PolarHBondContact O-N 3.41Å; V518-V522 VanDerWaalsContact O-N 3.09Å; A519-V522 PolarHBondContact O-N 3.26Å; V522-C524 PolarHBondContact O-N 2.76Å; V522-F525 WeakPolarHBondContact O-CB 3.49Å; V522-F525 PolarHBondContact O-N 3.31Å; V522-L526 WeakPolarHBondContact O-CG 3.43Å; V522-L526 PolarHBondContact O-N 3.42Å
523	Q	90.6	Very high	86.2	Confident	30 Å²	30	32.6 Å²	32.6	14%	0.14	18%	0.178	C	C	.	.	H	α-helix	trans	-59	-47	176.2	-69.2	160.2	2.6	0	0	111.4	F500 N503 A519 A520 F525 L526 V527 P593	F500-Q523 PolarHBondContact O-NE2 2.63Å; N503-Q523 PolarHBondContact ND2-OE1 2.91Å; N503-Q523 VanDerWaalsContact ND2-OE1 3.07Å; A519-Q523 WeakPolarHBondContact O-CB 3.36Å; A519-Q523 VanDerWaalsContact O-CD 3.27Å; A519-Q523 WeakPolarHBondContact O-CG 3.41Å; A519-Q523 PolarHBondContact O-N 2.78Å; A520-Q523 PolarHBondContact O-N 2.75Å; Q523-F525 VanDerWaalsContact C-N 3.34Å; Q523-F525 PolarHBondContact O-N 3.29Å; Q523-L526 PolarHBondContact O-N 3.12Å; Q523-V527 PolarHBondContact O-N 3.1Å; Q523-P593 HydrophobicContact CB-CB 4.38Å; Q523-P593 VanDerWaalsContact OE1-CG 3.23Å
524	C	91.4	Very high	87.1	Confident	11 Å²	11	32.8 Å²	32.8	7%	0.074	17%	0.173	C	C	.	.	H	α-helix	trans	-64.9	-37.8	176.1	-69.6	0	0	0	0	112	A520 E521 V522 L526 V527 A528 Y600	A520-C524 VanDerWaalsContact O-CB 3.32Å; A520-C524 WeakPolarHBondContact O-CB 3.33Å; A520-C524 PolarHBondContact O-N 2.75Å; A520-C524 PolarHBondContact O-SG 3.3Å; E521-C524 PolarHBondContact O-N 3.28Å; V522-C524 PolarHBondContact O-N 2.76Å; C524-L526 PolarHBondContact O-N 2.86Å; C524-V527 PolarHBondContact O-N 3.43Å; C524-A528 VanDerWaalsContact O-CB 3.27Å; C524-A528 WeakPolarHBondContact O-CB 2.96Å; C524-A528 PolarHBondContact O-N 3.27Å; C524-Y600 HydrophobicContact CB-CD1 4.15Å; C524-Y600 HydrophobicContact CB-CD2 3.57Å; C524-Y600 HydrophobicContact CB-CE1 4.41Å; C524-Y600 HydrophobicContact CB-CE2 3.8Å; C524-Y600 HydrophobicContact CB-CG 3.73Å
525	F	88.7	Confident	87.6	Confident	13 Å²	13	31.9 Å²	31.9	6%	0.057	17%	0.169	C	C	.	.	H	α-helix	trans	-61.6	-42.2	176.8	175.1	-101.3	0	0	0	112.2	C444 F466 R470 E521 V522 Q523 V527 A528 L529 Y600	C444-F525 VanDerWaalsContact SG-CE2 3.56Å; F466-F525 HydrophobicContact CD1-CZ 4.27Å; F466-F525 AromaticContact CE1-CE2 3.69Å; F466-F525 HydrophobicContact CE1-CE2 3.69Å; F466-F525 AromaticContact CE1-CZ 3.62Å; F466-F525 HydrophobicContact CE1-CZ 3.62Å; F466-F525 AromaticContact CZ-CE2 3.88Å; F466-F525 HydrophobicContact CZ-CE2 3.88Å; F466-F525 HydrophobicContact CZ-CZ 4.21Å; R470-F525 HydrophobicContact CB-CE1 4.43Å; R470-F525 HydrophobicContact CB-CZ 4.38Å; E521-F525 VanDerWaalsContact O-CB 3.29Å; E521-F525 WeakPolarHBondContact O-CB 3.29Å; E521-F525 PolarHBondContact O-N 3.31Å; V522-F525 WeakPolarHBondContact O-CB 3.49Å; V522-F525 PolarHBondContact O-N 3.31Å; Q523-F525 VanDerWaalsContact C-N 3.34Å; Q523-F525 PolarHBondContact O-N 3.29Å; F525-V527 VanDerWaalsContact C-N 3.35Å; F525-V527 PolarHBondContact O-N 3.03Å; F525-A528 WeakPolarHBondContact O-CB 3.5Å; F525-A528 PolarHBondContact O-N 3.31Å; F525-L529 HydrophobicContact CE1-CD2 4.49Å; F525-L529 HydrophobicContact CZ-CD2 4.23Å; F525-L529 PolarHBondContact O-N 3.35Å; F525-Y600 WeakPolarHBondContact CA-OH 3.4Å
526	L	87.7	Confident	87.7	Confident	88 Å²	88	32.5 Å²	32.5	46%	0.461	17%	0.174	S	C	.	.	H	α-helix	trans	-61	-43.9	176.7	-68.2	174.5	0	0	0	111.8	M471 V522 Q523 C524 A528 L529	M471-L526 HydrophobicContact CE-CD2 4.35Å; V522-L526 WeakPolarHBondContact O-CG 3.43Å; V522-L526 PolarHBondContact O-N 3.42Å; Q523-L526 PolarHBondContact O-N 3.12Å; C524-L526 PolarHBondContact O-N 2.86Å; L526-A528 VanDerWaalsContact C-N 3.33Å; L526-L529 HydrophobicContact CD2-CD1 4.41Å; L526-L529 WeakPolarHBondContact O-CB 3.26Å; L526-L529 PolarHBondContact O-N 3.31Å
527	V	86.7	Confident	87.7	Confident	81 Å²	81	38 Å²	38	49%	0.491	20%	0.195	S	C	.	.	H	α-helix	trans	-66.2	-37.9	175.4	176.1	0	0	0	0	111.1	Q523 C524 F525 L529 A530 F531	Q523-V527 PolarHBondContact O-N 3.1Å; C524-V527 PolarHBondContact O-N 3.43Å; F525-V527 VanDerWaalsContact C-N 3.35Å; F525-V527 PolarHBondContact O-N 3.03Å; V527-L529 PolarHBondContact O-N 3.46Å; V527-A530 PolarHBondContact O-N 3.01Å; V527-A530 VanDerWaalsContact O-N 3.17Å; V527-F531 HydrophobicContact CG1-CD2 4.15Å; V527-F531 HydrophobicContact CG1-CE2 3.81Å
528	A	86.9	Confident	87.9	Confident	3 Å²	3	42.8 Å²	42.8	3%	0.025	21%	0.213	C	C	.	.	H	α-helix	trans	-61.6	-27.6	-179.8	0	0	0	0	0	113.7	C524 F525 L526 A530 F531 L532 Y600 I604	C524-A528 VanDerWaalsContact O-CB 3.27Å; C524-A528 WeakPolarHBondContact O-CB 2.96Å; C524-A528 PolarHBondContact O-N 3.27Å; F525-A528 WeakPolarHBondContact O-CB 3.5Å; F525-A528 PolarHBondContact O-N 3.31Å; L526-A528 VanDerWaalsContact C-N 3.33Å; A528-A530 VanDerWaalsContact C-N 3.26Å; A528-A530 PolarHBondContact O-N 2.89Å; A528-F531 WeakPolarHBondContact O-CB 3.2Å; A528-F531 PolarHBondContact O-N 2.95Å; A528-F531 VanDerWaalsContact O-N 3.15Å; A528-L532 WeakPolarHBondContact O-CB 3.49Å; A528-L532 VanDerWaalsContact O-CG 3.31Å; A528-L532 WeakPolarHBondContact O-CG 3.32Å; A528-L532 PolarHBondContact O-N 3Å; A528-Y600 HydrophobicContact CB-CD1 4.25Å; A528-Y600 HydrophobicContact CB-CE1 3.48Å; A528-Y600 VanDerWaalsContact CB-CE1 3.48Å; A528-I604 HydrophobicContact CB-CD1 3.56Å; A528-I604 HydrophobicContact CB-CG1 4.49Å
529	L	86.7	Confident	87.9	Confident	30 Å²	30	44.8 Å²	44.8	16%	0.157	23%	0.226	C	C	.	.	H	α-helix	trans	-56.8	-41.1	175.6	-64.6	167.7	0	0	0	111.9	W463 F466 L467 F525 L526 V527 L532 W533	W463-L529 HydrophobicContact CZ3-CD2 4.49Å; F466-L529 HydrophobicContact CD1-CD2 3.86Å; F466-L529 HydrophobicContact CE1-CD2 3.6Å; L467-L529 HydrophobicContact CD2-CD1 3.46Å; L467-L529 VanDerWaalsContact CD2-CD1 3.46Å; L467-L529 HydrophobicContact CD2-CD2 3.88Å; L467-L529 HydrophobicContact CD2-CG 4.32Å; F525-L529 HydrophobicContact CE1-CD2 4.49Å; F525-L529 HydrophobicContact CZ-CD2 4.23Å; F525-L529 PolarHBondContact O-N 3.35Å; L526-L529 HydrophobicContact CD2-CD1 4.41Å; L526-L529 WeakPolarHBondContact O-CB 3.26Å; L526-L529 PolarHBondContact O-N 3.31Å; V527-L529 PolarHBondContact O-N 3.46Å; L529-L532 PolarHBondContact O-N 3.39Å; L529-W533 WeakPolarHBondContact O-CB 3.25Å; L529-W533 PolarHBondContact O-N 2.81Å
530	A	84.7	Confident	88.1	Confident	64 Å²	64	55.2 Å²	55.2	53%	0.529	27%	0.265	S	S	.	.	H	α-helix	trans	-66.4	-42	177	0	0	0	0	0	111.6	V527 A528 W533 L534	V527-A530 PolarHBondContact O-N 3.01Å; V527-A530 VanDerWaalsContact O-N 3.17Å; A528-A530 VanDerWaalsContact C-N 3.26Å; A528-A530 PolarHBondContact O-N 2.89Å; A530-W533 PolarHBondContact O-N 2.93Å; A530-L534 PolarHBondContact O-N 3.12Å
531	F	86.9	Confident	88.1	Confident	14 Å²	14	64.2 Å²	64.2	6%	0.061	30%	0.299	C	S	.	.	H	α-helix	trans	-62.5	-47.5	175.2	-79.1	-85.6	0	0	0	112.2	V527 A528 W533 L534 L535 L545 A546 T549 V601 I604	V527-F531 HydrophobicContact CG1-CD2 4.15Å; V527-F531 HydrophobicContact CG1-CE2 3.81Å; A528-F531 WeakPolarHBondContact O-CB 3.2Å; A528-F531 PolarHBondContact O-N 2.95Å; A528-F531 VanDerWaalsContact O-N 3.15Å; F531-W533 VanDerWaalsContact C-N 3.29Å; F531-W533 PolarHBondContact O-N 3.48Å; F531-L534 PolarHBondContact O-N 2.91Å; F531-L535 WeakPolarHBondContact O-CB 3.4Å; F531-L535 WeakPolarHBondContact O-CD1 3.47Å; F531-L535 WeakPolarHBondContact O-CG 3.42Å; F531-L535 PolarHBondContact O-N 3.29Å; F531-L545 HydrophobicContact CD1-CD2 4.36Å; F531-L545 HydrophobicContact CD1-CG 4.45Å; F531-L545 HydrophobicContact CE1-CD2 4.07Å; F531-L545 HydrophobicContact CE1-CG 3.82Å; F531-L545 HydrophobicContact CZ-CG 4.44Å; F531-A546 HydrophobicContact CD1-CB 4.46Å; F531-A546 HydrophobicContact CE1-CB 4.43Å; F531-T549 HydrophobicContact CE1-CG2 4.02Å; F531-T549 WeakPolarHBondContact CE1-OG1 3.37Å; F531-T549 HydrophobicContact CZ-CG2 3.59Å; F531-T549 WeakPolarHBondContact CZ-OG1 3.35Å; F531-V601 HydrophobicContact CE2-CG2 4.48Å; F531-V601 HydrophobicContact CZ-CG2 4.39Å; F531-I604 HydrophobicContact CB-CD1 4.15Å
532	L	88.3	Confident	88.2	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-61.4	-40.9	178.4	-69.9	176.7	0	0	0	111.4	F448 F449 W463 F466 A528 L529 L535 S536 I604	F448-L532 HydrophobicContact CB-CD1 4.18Å; F448-L532 HydrophobicContact CD1-CB 4.24Å; F448-L532 HydrophobicContact CD1-CD2 4.18Å; F448-L532 HydrophobicContact CD2-CD1 4.32Å; F448-L532 HydrophobicContact CE1-CB 4.24Å; F448-L532 HydrophobicContact CG-CB 4.43Å; F448-L532 HydrophobicContact CG-CD1 4.11Å; F448-L532 HydrophobicContact CG-CD2 4.42Å; F448-L532 HydrophobicContact CZ-CB 4.42Å; F449-L532 HydrophobicContact CE2-CD2 4.02Å; W463-L532 HydrophobicContact CH2-CB 4.34Å; F466-L532 HydrophobicContact CE1-CD1 4.41Å; F466-L532 HydrophobicContact CZ-CD1 4.21Å; A528-L532 WeakPolarHBondContact O-CB 3.49Å; A528-L532 VanDerWaalsContact O-CG 3.31Å; A528-L532 WeakPolarHBondContact O-CG 3.32Å; A528-L532 PolarHBondContact O-N 3Å; L529-L532 PolarHBondContact O-N 3.39Å; L532-L535 PolarHBondContact O-N 3.2Å; L532-S536 VanDerWaalsContact O-CB 3.26Å; L532-S536 WeakPolarHBondContact O-CB 3.3Å; L532-S536 PolarHBondContact O-N 2.87Å; L532-S536 PolarHBondContact O-OG 3.42Å; L532-I604 HydrophobicContact CD2-CG2 3.88Å
533	W	86.3	Confident	88.4	Confident	132 Å²	132	64.2 Å²	64.2	50%	0.5	30%	0.299	S	S	.	.	H	α-helix	trans	-61.2	-48	176.7	177.5	85.9	0	0	0	110.8	W463 L529 A530 F531 S536 R537	W463-W533 VanDerWaalsContact CH2-CA 3.49Å; W463-W533 HydrophobicContact CH2-CB 3.56Å; W463-W533 HydrophobicContact CH2-CG 4.34Å; W463-W533 HydrophobicContact CZ2-CB 3.92Å; W463-W533 AromaticContact CZ2-CD1 3.8Å; W463-W533 HydrophobicContact CZ2-CG 4.27Å; W463-W533 HydrophobicContact CZ3-CB 4.4Å; L529-W533 WeakPolarHBondContact O-CB 3.25Å; L529-W533 PolarHBondContact O-N 2.81Å; A530-W533 PolarHBondContact O-N 2.93Å; F531-W533 VanDerWaalsContact C-N 3.29Å; F531-W533 PolarHBondContact O-N 3.48Å; W533-S536 PolarHBondContact O-N 2.65Å; W533-S536 PolarHBondContact O-OG 2.79Å; W533-R537 PolarHBondContact O-N 3.15Å
534	L	87.2	Confident	88.5	Confident	33 Å²	33	65 Å²	65	17%	0.173	31%	0.31	C	S	.	.	H	α-helix	trans	-66.3	-44.2	179.3	-171.2	65.5	0	0	0	112.3	A530 F531 S536 R537 Y538 L545	A530-L534 PolarHBondContact O-N 3.12Å; F531-L534 PolarHBondContact O-N 2.91Å; L534-S536 PolarHBondContact O-N 3.41Å; L534-R537 PolarHBondContact O-N 3.31Å; L534-Y538 HydrophobicContact CD1-CD2 4.09Å; L534-Y538 CarbonylContact O-C 3.52Å; L534-Y538 WeakPolarHBondContact O-CA 3.38Å; L534-Y538 PolarHBondContact O-N 3.08Å; L534-L545 HydrophobicContact CD2-CB 4.04Å; L534-L545 HydrophobicContact CD2-CD2 3.44Å; L534-L545 VanDerWaalsContact CD2-CD2 3.44Å; L534-L545 HydrophobicContact CD2-CG 4.38Å
535	L	87.9	Confident	88.6	Confident	2 Å²	2	67.6 Å²	67.6	1%	0.01	32%	0.323	C	S	.	.	H	α-helix	trans	-60.5	-33.5	175.1	-83	153.4	0	0	0	112.2	F449 F531 L532 I604	F449-L535 HydrophobicContact CE2-CB 4.49Å; F449-L535 HydrophobicContact CZ-CB 3.8Å; F531-L535 WeakPolarHBondContact O-CB 3.4Å; F531-L535 WeakPolarHBondContact O-CD1 3.47Å; F531-L535 WeakPolarHBondContact O-CG 3.42Å; F531-L535 PolarHBondContact O-N 3.29Å; L532-L535 PolarHBondContact O-N 3.2Å; L535-I604 HydrophobicContact CD1-CG2 3.54Å
536	S	86	Confident	88.8	Confident	28 Å²	28	67 Å²	67	20%	0.196	32%	0.321	C	S	.	.	H	α-helix	trans	-70.7	-35.7	178.3	79.7	0	0	0	0	113.4	L532 W533 L534	L532-S536 VanDerWaalsContact O-CB 3.26Å; L532-S536 WeakPolarHBondContact O-CB 3.3Å; L532-S536 PolarHBondContact O-N 2.87Å; L532-S536 PolarHBondContact O-OG 3.42Å; W533-S536 PolarHBondContact O-N 2.65Å; W533-S536 PolarHBondContact O-OG 2.79Å; L534-S536 PolarHBondContact O-N 3.41Å
537	R	87	Confident	89	Confident	128 Å²	128	66.7 Å²	66.7	48%	0.483	32%	0.323	S	S	.	.	H	α-helix	trans	-92.3	-42.6	-177.2	-66.5	-64	-172.7	162.8	0.9	112.6	W533 L534	W533-R537 PolarHBondContact O-N 3.15Å; L534-R537 PolarHBondContact O-N 3.31Å
538	Y	89.9	Confident	89.3	Confident	137 Å²	137	68.6 Å²	68.6	54%	0.537	33%	0.329	S	S	.	.			trans	-137.2	79.8	-171	-57.9	-67.8	0	0	0	110.3	L534 R540 W541 G542	L534-Y538 HydrophobicContact CD1-CD2 4.09Å; L534-Y538 CarbonylContact O-C 3.52Å; L534-Y538 WeakPolarHBondContact O-CA 3.38Å; L534-Y538 PolarHBondContact O-N 3.08Å; Y538-R540 VanDerWaalsContact C-N 3.29Å; Y538-R540 PolarHBondContact O-N 3.38Å; Y538-R540 VanDerWaalsContact O-N 3.16Å; Y538-W541 PolarHBondContact O-N 2.98Å; Y538-W541 VanDerWaalsContact O-N 3.15Å; Y538-G542 PolarHBondContact O-N 3.36Å
539	P	88	Confident	89.6	Confident	56 Å²	56	70 Å²	70	36%	0.364	34%	0.338	S	S	.	.	H	α-helix	trans	-61.2	-32.2	-169.8	22.7	-34.6	0	0	0	114.4	L543 Y608	P539-L543 WeakPolarHBondContact O-CB 3.07Å; P539-L543 PolarHBondContact O-N 3.42Å; P539-Y608 VanDerWaalsContact CB-OH 3.28Å; P539-Y608 WeakPolarHBondContact CB-OH 3.18Å
540	R	91.2	Very high	89.9	Confident	220 Å²	220	69.5 Å²	69.5	83%	0.83	34%	0.336	S	S	*	.	H	α-helix	trans	-67.4	-47.2	176.3	-66.8	-172.7	179.6	110.3	-1.9	111.9	Y538 L543 A544	Y538-R540 VanDerWaalsContact C-N 3.29Å; Y538-R540 PolarHBondContact O-N 3.38Å; Y538-R540 VanDerWaalsContact O-N 3.16Å; R540-L543 PolarHBondContact O-N 3.4Å; R540-A544 WeakPolarHBondContact O-CB 3.06Å; R540-A544 PolarHBondContact O-N 3.09Å
541	W	91.1	Very high	90.3	Very high	188 Å²	188	68.6 Å²	68.6	71%	0.712	33%	0.329	S	S	*	.	H	α-helix	trans	-69.5	-37.6	178	-69.1	104.2	0	0	0	112	Y538 A544 L545	Y538-W541 PolarHBondContact O-N 2.98Å; Y538-W541 VanDerWaalsContact O-N 3.15Å; W541-A544 PolarHBondContact O-N 2.72Å; W541-L545 WeakPolarHBondContact O-CB 3.18Å; W541-L545 PolarHBondContact O-N 3Å
542	G	90.5	Very high	90.6	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-60.5	-44.6	173.1	0	0	0	0	0	112.6	Y538 A546	Y538-G542 PolarHBondContact O-N 3.36Å; G542-A546 WeakPolarHBondContact O-CB 3.38Å; G542-A546 PolarHBondContact O-N 2.73Å
543	L	92.4	Very high	90.8	Very high	90 Å²	90	71.9 Å²	71.9	47%	0.471	35%	0.353	S	S	.	.	H	α-helix	trans	-68.7	-41.2	175.9	-174.4	62.6	0	0	0	112	P539 R540 L545 A546 T547	P539-L543 WeakPolarHBondContact O-CB 3.07Å; P539-L543 PolarHBondContact O-N 3.42Å; R540-L543 PolarHBondContact O-N 3.4Å; L543-L545 VanDerWaalsContact C-N 3.35Å; L543-L545 PolarHBondContact O-N 3.09Å; L543-A546 WeakPolarHBondContact O-CB 3.48Å; L543-A546 PolarHBondContact O-N 3.4Å; L543-T547 WeakPolarHBondContact O-CG2 3.01Å; L543-T547 PolarHBondContact O-N 3.04Å; L543-T547 PolarHBondContact O-OG1 2.79Å; L543-T547 VanDerWaalsContact O-OG1 3.14Å
544	A	93.3	Very high	91.2	Very high	47 Å²	47	66.1 Å²	66.1	39%	0.388	33%	0.333	S	S	.	.	H	α-helix	trans	-61	-43.2	176.1	0	0	0	0	0	111.8	R540 W541 T547 L548	R540-A544 WeakPolarHBondContact O-CB 3.06Å; R540-A544 PolarHBondContact O-N 3.09Å; W541-A544 PolarHBondContact O-N 2.72Å; A544-T547 WeakPolarHBondContact CA-OG1 3.05Å; A544-T547 PolarHBondContact O-N 3.46Å; A544-T547 PolarHBondContact O-OG1 2.94Å; A544-L548 VanDerWaalsContact O-CB 3.32Å; A544-L548 WeakPolarHBondContact O-CB 3.46Å; A544-L548 PolarHBondContact O-N 3.49Å
545	L	93	Very high	91.5	Very high	65 Å²	65	69.3 Å²	69.3	34%	0.34	35%	0.349	S	S	.	.	H	α-helix	trans	-64.5	-43	174.7	-177.3	63.8	0	0	0	111.3	F531 L534 W541 L543 T547 L548 T549	F531-L545 HydrophobicContact CD1-CD2 4.36Å; F531-L545 HydrophobicContact CD1-CG 4.45Å; F531-L545 HydrophobicContact CE1-CD2 4.07Å; F531-L545 HydrophobicContact CE1-CG 3.82Å; F531-L545 HydrophobicContact CZ-CG 4.44Å; L534-L545 HydrophobicContact CD2-CB 4.04Å; L534-L545 HydrophobicContact CD2-CD2 3.44Å; L534-L545 VanDerWaalsContact CD2-CD2 3.44Å; L534-L545 HydrophobicContact CD2-CG 4.38Å; W541-L545 WeakPolarHBondContact O-CB 3.18Å; W541-L545 PolarHBondContact O-N 3Å; L543-L545 VanDerWaalsContact C-N 3.35Å; L543-L545 PolarHBondContact O-N 3.09Å; L545-T547 PolarHBondContact O-N 3.24Å; L545-L548 PolarHBondContact O-N 2.98Å; L545-T549 HydrophobicContact CD1-CG2 3.82Å; L545-T549 HydrophobicContact CG-CG2 4.11Å; L545-T549 WeakPolarHBondContact O-CB 3.09Å; L545-T549 WeakPolarHBondContact O-CG2 3.31Å; L545-T549 PolarHBondContact O-N 3.45Å; L545-T549 PolarHBondContact O-OG1 3.43Å
546	A	92.4	Very high	91.8	Very high	2 Å²	2	72.7 Å²	72.7	2%	0.017	37%	0.372	C	S	.	.	H	α-helix	trans	-58.3	-46.7	175.1	0	0	0	0	0	111.5	F531 G542 L543 T549 T550 V601 C605	F531-A546 HydrophobicContact CD1-CB 4.46Å; F531-A546 HydrophobicContact CE1-CB 4.43Å; G542-A546 WeakPolarHBondContact O-CB 3.38Å; G542-A546 PolarHBondContact O-N 2.73Å; L543-A546 WeakPolarHBondContact O-CB 3.48Å; L543-A546 PolarHBondContact O-N 3.4Å; A546-T549 WeakPolarHBondContact CA-OG1 3.41Å; A546-T549 PolarHBondContact O-N 3.26Å; A546-T549 PolarHBondContact O-OG1 3.07Å; A546-T550 WeakPolarHBondContact O-CG2 3.47Å; A546-T550 PolarHBondContact O-N 3.49Å; A546-T550 PolarHBondContact O-OG1 3.5Å; A546-T550 VanDerWaalsContact O-OG1 3.07Å; A546-V601 HydrophobicContact CB-CG1 3.73Å; A546-C605 VanDerWaalsContact CB-SG 3.56Å
547	T	92.2	Very high	92.1	Very high	81 Å²	81	71.6 Å²	71.6	50%	0.497	36%	0.364	S	S	.	.	H	α-helix	trans	-66.3	-37.6	177.1	50.4	0	0	0	0	113.3	L543 A544 L545 T550 A551	L543-T547 WeakPolarHBondContact O-CG2 3.01Å; L543-T547 PolarHBondContact O-N 3.04Å; L543-T547 PolarHBondContact O-OG1 2.79Å; L543-T547 VanDerWaalsContact O-OG1 3.14Å; A544-T547 WeakPolarHBondContact CA-OG1 3.05Å; A544-T547 PolarHBondContact O-N 3.46Å; A544-T547 PolarHBondContact O-OG1 2.94Å; L545-T547 PolarHBondContact O-N 3.24Å; T547-T550 PolarHBondContact O-OG1 3.42Å; T547-T550 VanDerWaalsContact O-OG1 3.05Å; T547-A551 VanDerWaalsContact O-CB 3.23Å; T547-A551 WeakPolarHBondContact O-CB 3.41Å; T547-A551 PolarHBondContact O-N 2.83Å
548	L	93.6	Very high	92.4	Very high	120 Å²	120	67.5 Å²	67.5	63%	0.628	35%	0.352	S	S	*	.	H	α-helix	trans	-69.4	-40.8	178.7	-180	62.2	0	0	0	111.2	A544 L545 G552	A544-L548 VanDerWaalsContact O-CB 3.32Å; A544-L548 WeakPolarHBondContact O-CB 3.46Å; A544-L548 PolarHBondContact O-N 3.49Å; L545-L548 PolarHBondContact O-N 2.98Å; L548-G552 PolarHBondContact O-N 3.26Å
549	T	92.3	Very high	92.6	Very high	32 Å²	32	65 Å²	65	20%	0.196	35%	0.351	C	S	.	.	H	α-helix	trans	-71.7	-39.5	-179.8	55.5	0	0	0	0	112.3	F531 L545 A546 G552 M553	F531-T549 HydrophobicContact CE1-CG2 4.02Å; F531-T549 WeakPolarHBondContact CE1-OG1 3.37Å; F531-T549 HydrophobicContact CZ-CG2 3.59Å; F531-T549 WeakPolarHBondContact CZ-OG1 3.35Å; L545-T549 HydrophobicContact CD1-CG2 3.82Å; L545-T549 HydrophobicContact CG-CG2 4.11Å; L545-T549 WeakPolarHBondContact O-CB 3.09Å; L545-T549 WeakPolarHBondContact O-CG2 3.31Å; L545-T549 PolarHBondContact O-N 3.45Å; L545-T549 PolarHBondContact O-OG1 3.43Å; A546-T549 WeakPolarHBondContact CA-OG1 3.41Å; A546-T549 PolarHBondContact O-N 3.26Å; A546-T549 PolarHBondContact O-OG1 3.07Å; T549-G552 PolarHBondContact O-N 3.48Å; T549-M553 WeakPolarHBondContact O-CB 3.2Å; T549-M553 VanDerWaalsContact O-CG 3.3Å; T549-M553 WeakPolarHBondContact O-CG 3.48Å; T549-M553 PolarHBondContact O-N 2.93Å
550	T	92.9	Very high	92.8	Very high	21 Å²	21	64.6 Å²	64.6	13%	0.129	34%	0.344	C	S	.	.	H	α-helix	trans	-65.1	-43.4	172.8	54.4	0	0	0	0	111.6	A546 T547 A554 V601 I602	A546-T550 WeakPolarHBondContact O-CG2 3.47Å; A546-T550 PolarHBondContact O-N 3.49Å; A546-T550 PolarHBondContact O-OG1 3.5Å; A546-T550 VanDerWaalsContact O-OG1 3.07Å; T547-T550 PolarHBondContact O-OG1 3.42Å; T547-T550 VanDerWaalsContact O-OG1 3.05Å; T550-A554 WeakPolarHBondContact O-CB 3.43Å; T550-A554 PolarHBondContact O-N 3.4Å; T550-V601 HydrophobicContact CG2-CB 3.69Å; T550-V601 HydrophobicContact CG2-CG1 3.55Å; T550-I602 HydrophobicContact CG2-CG1 4.27Å
551	A	93.1	Very high	92.9	Very high	45 Å²	45	54.1 Å²	54.1	37%	0.372	31%	0.305	S	S	.	.	H	α-helix	trans	-62.5	-44.9	174.8	0	0	0	0	0	111.4	T547 A554 I555	T547-A551 VanDerWaalsContact O-CB 3.23Å; T547-A551 WeakPolarHBondContact O-CB 3.41Å; T547-A551 PolarHBondContact O-N 2.83Å; A551-A554 PolarHBondContact O-N 3.42Å; A551-I555 WeakPolarHBondContact O-CB 3.46Å; A551-I555 WeakPolarHBondContact O-CD1 3.38Å; A551-I555 WeakPolarHBondContact O-CG1 3.48Å; A551-I555 PolarHBondContact O-N 3.21Å
552	G	93.8	Very high	93	Very high	29 Å²	29	47.4 Å²	47.4	30%	0.299	29%	0.285	S	S	.	.	H	α-helix	trans	-60	-48.4	177	0	0	0	0	0	112.5	L548 T549 A554 I555 C556	L548-G552 PolarHBondContact O-N 3.26Å; T549-G552 PolarHBondContact O-N 3.48Å; G552-A554 PolarHBondContact O-N 3.05Å; G552-I555 PolarHBondContact O-N 3.23Å; G552-C556 WeakPolarHBondContact O-CB 3.49Å; G552-C556 PolarHBondContact O-N 3.22Å; G552-C556 PolarHBondContact O-SG 3.38Å
553	M	93.4	Very high	93.2	Very high	54 Å²	54	56.6 Å²	56.6	27%	0.266	32%	0.321	S	S	.	.	H	α-helix	trans	-63.4	-39.6	176.9	-72.9	177.8	-173.8	0	0	112.3	T549 C556 H557 C598	T549-M553 WeakPolarHBondContact O-CB 3.2Å; T549-M553 VanDerWaalsContact O-CG 3.3Å; T549-M553 WeakPolarHBondContact O-CG 3.48Å; T549-M553 PolarHBondContact O-N 2.93Å; M553-C556 PolarHBondContact O-N 3Å; M553-H557 WeakPolarHBondContact O-CB 3.03Å; M553-H557 PolarHBondContact O-N 2.84Å; M553-C598 WeakPolarHBondContact CB-SG 3.48Å
554	A	93.6	Very high	93.1	Very high	10 Å²	10	55.6 Å²	55.6	8%	0.083	32%	0.316	C	S	.	.	H	α-helix	trans	-64.6	-41.2	175.6	0	0	0	0	0	112.3	T550 A551 G552 H557 L558 S662 L666	T550-A554 WeakPolarHBondContact O-CB 3.43Å; T550-A554 PolarHBondContact O-N 3.4Å; A551-A554 PolarHBondContact O-N 3.42Å; G552-A554 PolarHBondContact O-N 3.05Å; A554-H557 PolarHBondContact O-N 3.01Å; A554-L558 WeakPolarHBondContact O-CB 3.39Å; A554-L558 PolarHBondContact O-N 2.04Å; A554-S662 WeakPolarHBondContact O-CB 3.38Å; A554-L666 HydrophobicContact CB-CD1 3.89Å; A554-L666 HydrophobicContact CB-CD2 4.34Å; A554-L666 HydrophobicContact CB-CG 4.3Å
555	I	94	Very high	92.9	Very high	101 Å²	101	55.7 Å²	55.7	52%	0.518	31%	0.31	S	S	.	.	H	α-helix	trans	-66.4	-43.4	175	-67.2	163.7	0	0	0	110.6	A551 G552 H557 L558 V559	A551-I555 WeakPolarHBondContact O-CB 3.46Å; A551-I555 WeakPolarHBondContact O-CD1 3.38Å; A551-I555 WeakPolarHBondContact O-CG1 3.48Å; A551-I555 PolarHBondContact O-N 3.21Å; G552-I555 PolarHBondContact O-N 3.23Å; I555-H557 VanDerWaalsContact C-N 3.3Å; I555-H557 PolarHBondContact O-N 2.92Å; I555-L558 WeakPolarHBondContact O-CB 3.04Å; I555-L558 PolarHBondContact O-N 3.35Å; I555-V559 HydrophobicContact CG2-CG2 4.33Å; I555-V559 WeakPolarHBondContact O-CG2 3.41Å; I555-V559 PolarHBondContact O-N 2.92Å
556	C	93.3	Very high	92.8	Very high	73 Å²	73	53.7 Å²	53.7	49%	0.493	30%	0.298	S	S	.	.	H	α-helix	trans	-58.7	-43.6	174.8	-71.7	0	0	0	0	111.4	G552 M553 V559 I560	G552-C556 WeakPolarHBondContact O-CB 3.49Å; G552-C556 PolarHBondContact O-N 3.22Å; G552-C556 PolarHBondContact O-SG 3.38Å; M553-C556 PolarHBondContact O-N 3Å; C556-V559 PolarHBondContact O-N 3.23Å; C556-I560 WeakPolarHBondContact O-CB 3.46Å; C556-I560 WeakPolarHBondContact O-CD1 3.35Å; C556-I560 VanDerWaalsContact O-CG1 3.23Å; C556-I560 WeakPolarHBondContact O-CG1 3.47Å; C556-I560 PolarHBondContact O-N 2.76Å
557	H	92.7	Very high	92.6	Very high	5 Å²	5	53.6 Å²	53.6	2%	0.023	30%	0.297	C	S	.	.	H	α-helix	trans	-62.7	-44.8	176.6	-171.5	-166	0	0	0	111.7	M553 A554 I555 V559 I560 V561 V589 A661	M553-H557 WeakPolarHBondContact O-CB 3.03Å; M553-H557 PolarHBondContact O-N 2.84Å; A554-H557 PolarHBondContact O-N 3.01Å; I555-H557 VanDerWaalsContact C-N 3.3Å; I555-H557 PolarHBondContact O-N 2.92Å; H557-V559 PolarHBondContact O-N 3.17Å; H557-I560 PolarHBondContact O-N 3.1Å; H557-V561 WeakPolarHBondContact O-CG2 3.01Å; H557-V561 PolarHBondContact O-N 2.92Å; H557-V561 VanDerWaalsContact O-N 3.07Å; H557-V589 VanDerWaalsContact NE2-CG1 3.33Å; H557-V589 WeakPolarHBondContact NE2-CG1 3.34Å; H557-A661 PolarHBondContact CE1-O 3.15Å; H557-A661 PolarHBondContact ND1-O 3.37Å
558	L	93.8	Very high	92.4	Very high	42 Å²	42	49.8 Å²	49.8	22%	0.22	27%	0.274	C	S	.	.	H	α-helix	trans	-55.1	-50.4	173.6	172.5	65.6	0	0	0	111.3	A554 I555 V561 V562 G658	A554-L558 WeakPolarHBondContact O-CB 3.39Å; A554-L558 PolarHBondContact O-N 2.04Å; I555-L558 WeakPolarHBondContact O-CB 3.04Å; I555-L558 PolarHBondContact O-N 3.35Å; L558-V561 PolarHBondContact O-N 3.03Å; L558-V562 HydrophobicContact CD1-CG2 3.97Å; L558-V562 WeakPolarHBondContact O-CB 3.35Å; L558-V562 WeakPolarHBondContact O-CG2 3.4Å; L558-V562 PolarHBondContact O-N 2.76Å; L558-G658 WeakPolarHBondContact CD1-O 3.47Å
559	V	94.6	Very high	92	Very high	85 Å²	85	44.6 Å²	44.6	52%	0.515	25%	0.247	S	C	.	.	H	α-helix	trans	-63	-45.2	-178.6	171.9	0	0	0	0	111.6	I555 C556 H557 V561 V562 Y563	I555-V559 HydrophobicContact CG2-CG2 4.33Å; I555-V559 WeakPolarHBondContact O-CG2 3.41Å; I555-V559 PolarHBondContact O-N 2.92Å; C556-V559 PolarHBondContact O-N 3.23Å; H557-V559 PolarHBondContact O-N 3.17Å; V559-V561 VanDerWaalsContact C-N 3.32Å; V559-V561 PolarHBondContact O-N 3.4Å; V559-V562 PolarHBondContact O-N 2.93Å; V559-Y563 WeakPolarHBondContact O-CB 3.46Å; V559-Y563 PolarHBondContact O-N 2.76Å
560	I	92.9	Very high	91.4	Very high	46 Å²	46	45.6 Å²	45.6	24%	0.236	25%	0.248	C	C	.	.	H	α-helix	trans	-61.8	-41.5	-179.9	-69.5	165.5	0	0	0	111.2	C556 H557 N564 Y566 V589 Y594	C556-I560 WeakPolarHBondContact O-CB 3.46Å; C556-I560 WeakPolarHBondContact O-CD1 3.35Å; C556-I560 VanDerWaalsContact O-CG1 3.23Å; C556-I560 WeakPolarHBondContact O-CG1 3.47Å; C556-I560 PolarHBondContact O-N 2.76Å; H557-I560 PolarHBondContact O-N 3.1Å; I560-N564 WeakPolarHBondContact O-CB 3.11Å; I560-N564 PolarHBondContact O-N 2.76Å; I560-N564 PolarHBondContact O-ND2 3.2Å; I560-Y566 HydrophobicContact CG2-CD2 4.17Å; I560-Y566 HydrophobicContact CG2-CE2 4.01Å; I560-V589 HydrophobicContact CG2-CG2 3.8Å; I560-Y594 HydrophobicContact CD1-CE2 4.03Å
561	V	92.3	Very high	90.2	Very high	1 Å²	1	45 Å²	45	1%	0.006	24%	0.244	C	C	.	.	H	α-helix	trans	-70.6	-43.3	-179.7	172.1	0	0	0	0	111.5	H557 L558 V559 D565 Y566 Y585 K657 A661	H557-V561 WeakPolarHBondContact O-CG2 3.01Å; H557-V561 PolarHBondContact O-N 2.92Å; H557-V561 VanDerWaalsContact O-N 3.07Å; L558-V561 PolarHBondContact O-N 3.03Å; V559-V561 VanDerWaalsContact C-N 3.32Å; V559-V561 PolarHBondContact O-N 3.4Å; V561-D565 WeakPolarHBondContact O-CA 3.24Å; V561-D565 PolarHBondContact O-N 2.89Å; V561-D565 VanDerWaalsContact O-N 3.08Å; V561-Y566 PolarHBondContact O-N 3.45Å; V561-Y566 VanDerWaalsContact O-N 3.15Å; V561-Y585 HydrophobicContact CG2-CE2 4.5Å; V561-K657 HydrophobicContact CG1-CB 4.21Å; V561-A661 HydrophobicContact CB-CB 4.46Å; V561-A661 HydrophobicContact CG1-CB 4.23Å; V561-A661 HydrophobicContact CG2-CB 3.94Å
562	V	94	Very high	88.9	Confident	46 Å²	46	43.5 Å²	43.5	28%	0.279	23%	0.233	S	C	.	.	H	α-helix	trans	-66.4	-43.1	178.5	172	0	0	0	0	111.3	L558 V559 L654	L558-V562 HydrophobicContact CD1-CG2 3.97Å; L558-V562 WeakPolarHBondContact O-CB 3.35Å; L558-V562 WeakPolarHBondContact O-CG2 3.4Å; L558-V562 PolarHBondContact O-N 2.76Å; V559-V562 PolarHBondContact O-N 2.93Å; V562-L654 HydrophobicContact CG1-CB 4.29Å; V562-L654 WeakPolarHBondContact CG2-O 3.25Å
563	Y	93.1	Very high	88.1	Confident	194 Å²	194	42.2 Å²	42.2	76%	0.761	22%	0.22	S	C	*	.	H	α-helix	trans	-69.2	-40.8	-175.7	-177.2	-99.2	0	0	0	112.7	V559	V559-Y563 WeakPolarHBondContact O-CB 3.46Å; V559-Y563 PolarHBondContact O-N 2.76Å
564	N	90.3	Very high	87.3	Confident	68 Å²	68	41.6 Å²	41.6	36%	0.364	22%	0.219	S	C	.	.	H	α-helix	trans	-96	2.7	-177.3	-60.9	-65.2	0	0	0	113.7	I560 Y566	I560-N564 WeakPolarHBondContact O-CB 3.11Å; I560-N564 PolarHBondContact O-N 2.76Å; I560-N564 PolarHBondContact O-ND2 3.2Å; N564-Y566 VanDerWaalsContact C-N 3.28Å; N564-Y566 HydrophobicContact CB-CD1 4.35Å; N564-Y566 HydrophobicContact CB-CD2 3.58Å; N564-Y566 HydrophobicContact CB-CE1 4.09Å; N564-Y566 HydrophobicContact CB-CE2 3.28Å; N564-Y566 HydrophobicContact CB-CG 4.1Å; N564-Y566 WeakPolarHBondContact ND2-CE2 3.43Å; N564-Y566 PolarHBondContact O-N 3.15Å
565	D	89.7	Confident	86.4	Confident	50 Å²	50	43.3 Å²	43.3	27%	0.267	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	49.5	-174.7	-174.3	23.4	0	0	0	112.7	V561 K581 L654 K657	V561-D565 WeakPolarHBondContact O-CA 3.24Å; V561-D565 PolarHBondContact O-N 2.89Å; V561-D565 VanDerWaalsContact O-N 3.08Å; D565-K581 WeakPolarHBondContact O-CD 3.25Å; D565-K581 PolarHBondContact O-NZ 3.26Å; D565-K581 IonicContact OD1-NZ 2.7Å; D565-K581 IonicContact OD2-NZ 3.9Å; D565-K581 PolarHBondContact OD2-NZ 3.34Å; D565-L654 HydrophobicContact CB-CD2 3.53Å; D565-L654 VanDerWaalsContact CG-CD2 3.42Å; D565-L654 VanDerWaalsContact OD1-CD2 3.23Å; D565-L654 WeakPolarHBondContact OD1-CD2 3.3Å; D565-K657 IonicContact OD1-NZ 3.93Å; D565-K657 PolarHBondContact OD1-NZ 3.1Å
566	Y	91	Very high	85.3	Confident	22 Å²	22	43.4 Å²	43.4	9%	0.086	23%	0.228	C	C	.	.			trans	-79.1	153.9	176.7	-74.2	-45.5	0	0	0	112.1	I560 V561 N564 D584 Y585 N588 V589 K657	I560-Y566 HydrophobicContact CG2-CD2 4.17Å; I560-Y566 HydrophobicContact CG2-CE2 4.01Å; V561-Y566 PolarHBondContact O-N 3.45Å; V561-Y566 VanDerWaalsContact O-N 3.15Å; N564-Y566 VanDerWaalsContact C-N 3.28Å; N564-Y566 HydrophobicContact CB-CD1 4.35Å; N564-Y566 HydrophobicContact CB-CD2 3.58Å; N564-Y566 HydrophobicContact CB-CE1 4.09Å; N564-Y566 HydrophobicContact CB-CE2 3.28Å; N564-Y566 HydrophobicContact CB-CG 4.1Å; N564-Y566 WeakPolarHBondContact ND2-CE2 3.43Å; N564-Y566 PolarHBondContact O-N 3.15Å; Y566-D584 HydrophobicContact CE1-CB 3.79Å; Y566-Y585 HydrophobicContact CG-CD2 4.13Å; Y566-N588 HydrophobicContact CE2-CB 4.33Å; Y566-N588 PolarHBondContact OH-ND2 2.98Å; Y566-V589 HydrophobicContact CD2-CG2 3.69Å; Y566-V589 HydrophobicContact CE2-CG2 3.8Å; Y566-K657 WeakPolarHBondContact O-CD 3.44Å
567	P	89.4	Confident	84.3	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.006	23%	0.234	C	C	.	.			trans	-61.2	151.8	171.7	25.6	-34.2	0	0	0	112	S569 L582 Y585 Y646	P567-S569 PolarHBondContact O-N 3.05Å; P567-L582 HydrophobicContact CB-CD2 4.38Å; P567-L582 HydrophobicContact CG-CD2 3.91Å; P567-Y585 HydrophobicContact CG-CD1 4.5Å; P567-Y585 HydrophobicContact CG-CD2 4.33Å; P567-Y585 HydrophobicContact CG-CG 3.97Å; P567-Y585 WeakPolarHBondContact O-CE2 3.44Å; P567-Y646 WeakPolarHBondContact CB-OH 3.48Å
568	P	88	Confident	83.5	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.238	C	C	.	.	S	Bend	trans	-63.8	-25.4	-176.3	21.7	-30.7	0	0	0	114.2	L571 V643 Y646 W652 Y660 A661	P568-L571 HydrophobicContact CG-CD1 4.48Å; P568-V643 HydrophobicContact CG-CG1 4.43Å; P568-Y646 VanDerWaalsContact CD-CZ 3.41Å; P568-Y646 HydrophobicContact CG-CD1 3.75Å; P568-Y646 HydrophobicContact CG-CD2 4.33Å; P568-Y646 HydrophobicContact CG-CE1 3.72Å; P568-Y646 HydrophobicContact CG-CE2 4.31Å; P568-Y646 HydrophobicContact CG-CG 4.06Å; P568-W652 HydrophobicContact CB-CZ3 4.34Å; P568-W652 HydrophobicContact CG-CE3 4.41Å; P568-W652 HydrophobicContact CG-CZ3 4.38Å; P568-Y660 HydrophobicContact CB-CD1 3.69Å; P568-Y660 HydrophobicContact CB-CG 4.34Å; P568-A661 WeakPolarHBondContact O-CA 3.27Å; P568-A661 VanDerWaalsContact O-CB 3.26Å; P568-A661 WeakPolarHBondContact O-CB 3.41Å
569	S	84.4	Confident	82.4	Confident	11 Å²	11	46.5 Å²	46.5	8%	0.077	23%	0.232	C	C	.	.	S	Bend	trans	-162.3	168.7	178.8	36.3	0	0	0	0	110.4	P567 L571	P567-S569 PolarHBondContact O-N 3.05Å; S569-L571 VanDerWaalsContact C-N 3.26Å; S569-L571 WeakPolarHBondContact O-CD1 3.23Å; S569-L571 PolarHBondContact O-N 3.23Å; S569-L571 VanDerWaalsContact OG-CD1 3.3Å; S569-L571 WeakPolarHBondContact OG-CD1 3.38Å; S569-L571 WeakPolarHBondContact OG-CD2 3.07Å; S569-L571 WeakPolarHBondContact OG-CG 3.3Å
570	Y	78.8	Confident	81.2	Confident	54 Å²	54	47.2 Å²	47.2	21%	0.212	23%	0.228	C	C	.	.	S	Bend	trans	-75.4	79.7	174.2	-174.2	-116.4	0	0	0	110	M402 L582 M586	M402-Y570 WeakPolarHBondContact CE-OH 3.15Å; M402-Y570 HydrophobicContact SD-CE1 3.91Å; M402-Y570 PolarHBondContact SD-OH 3.16Å; Y570-L582 HydrophobicContact CD2-CD2 4.22Å; Y570-M586 HydrophobicContact CD1-CE 4.41Å; Y570-M586 HydrophobicContact CD1-SD 3.89Å; Y570-M586 HydrophobicContact CD2-CE 4.34Å; Y570-M586 HydrophobicContact CD2-CG 3.28Å; Y570-M586 HydrophobicContact CD2-SD 3.16Å; Y570-M586 WeakPolarHBondContact CD2-SD 3.49Å; Y570-M586 HydrophobicContact CE1-CE 4.06Å; Y570-M586 HydrophobicContact CE1-SD 4.01Å; Y570-M586 HydrophobicContact CE2-CE 4.01Å; Y570-M586 HydrophobicContact CE2-CG 3.09Å; Y570-M586 HydrophobicContact CE2-SD 3.33Å; Y570-M586 WeakPolarHBondContact CE2-SD 3.46Å; Y570-M586 HydrophobicContact CG-CG 4.19Å; Y570-M586 HydrophobicContact CG-SD 3.44Å
571	L	67.6	Low	80.6	Confident	7 Å²	7	47.7 Å²	47.7	4%	0.037	23%	0.229	C	C	.	.			trans	-135.9	155.4	179.7	17.3	76.4	0	0	0	113	N427 P568 S569 L582 V643 Y646	N427-L571 HydrophobicContact CB-CB 3.79Å; N427-L571 HydrophobicContact CB-CD2 4Å; P568-L571 HydrophobicContact CG-CD1 4.48Å; S569-L571 VanDerWaalsContact C-N 3.26Å; S569-L571 WeakPolarHBondContact O-CD1 3.23Å; S569-L571 PolarHBondContact O-N 3.23Å; S569-L571 VanDerWaalsContact OG-CD1 3.3Å; S569-L571 WeakPolarHBondContact OG-CD1 3.38Å; S569-L571 WeakPolarHBondContact OG-CD2 3.07Å; S569-L571 WeakPolarHBondContact OG-CG 3.3Å; L571-L582 WeakPolarHBondContact O-CD2 3.3Å; L571-V643 HydrophobicContact CD1-CG1 3.9Å; L571-V643 HydrophobicContact CD2-CB 3.95Å; L571-V643 HydrophobicContact CD2-CG1 3.58Å; L571-V643 HydrophobicContact CD2-CG2 4.02Å; L571-V643 HydrophobicContact CG-CG1 4.4Å; L571-Y646 HydrophobicContact CD1-CD1 4.17Å; L571-Y646 HydrophobicContact CD1-CE1 4.12Å
572	G	67.2	Low	80	Confident	15 Å²	15	48.2 Å²	48.2	16%	0.155	23%	0.231	C	C	.	.			trans	-65.2	140.9	165.8	0	0	0	0	0	110.4	I418	I418-G572 WeakPolarHBondContact CG2-O 3.41Å
573	T	76.7	Confident	79.1	Confident	2 Å²	2	49 Å²	49	1%	0.012	23%	0.232	C	C	.	.			trans	-134	151	168	173.2	0	0	0	0	108.3	N575 E578 L579 Y646	T573-N575 HydrophobicContact CG2-CB 4.28Å; T573-N575 PolarHBondContact O-N 3.44Å; T573-N575 PolarHBondContact OG1-N 2.91Å; T573-E578 HydrophobicContact CG2-CB 3.64Å; T573-L579 HydrophobicContact CG2-CD2 4.14Å; T573-L579 HydrophobicContact CG2-CG 4.37Å; T573-Y646 HydrophobicContact CG2-CE1 4.42Å; T573-Y646 PolarHBondContact OG1-O 2.97Å
574	T	75.6	Confident	78.6	Confident	40 Å²	40	42.8 Å²	42.8	25%	0.245	21%	0.212	C	C	.	.	S	Bend	trans	-64.5	-17.4	172.7	55.1	0	0	0	0	112.3	M415 L576 A647 G649	M415-T574 WeakPolarHBondContact O-CG2 3.49Å; T574-L576 PolarHBondContact O-N 3.31Å; T574-A647 PolarHBondContact N-O 2.66Å; T574-A647 PolarHBondContact OG1-O 3.39Å; T574-G649 WeakPolarHBondContact OG1-CA 3.35Å; T574-G649 PolarHBondContact OG1-N 3.17Å
575	N	76.1	Confident	78.5	Confident	47 Å²	47	39.6 Å²	39.6	25%	0.251	20%	0.195	S	C	.	.			trans	-81.1	101.6	178.7	-77.7	-39	0	0	0	112.6	T573 K577 E578 L579 G649	T573-N575 HydrophobicContact CG2-CB 4.28Å; T573-N575 PolarHBondContact O-N 3.44Å; T573-N575 PolarHBondContact OG1-N 2.91Å; N575-K577 PolarHBondContact O-N 3.05Å; N575-K577 VanDerWaalsContact O-N 3.09Å; N575-E578 HydrophobicContact CB-CB 4.29Å; N575-E578 HydrophobicContact CB-CG 4Å; N575-E578 PolarHBondContact O-N 3.44Å; N575-L579 PolarHBondContact O-N 2.04Å; N575-G649 WeakPolarHBondContact ND2-CA 3.19Å; N575-G649 PolarHBondContact ND2-O 2.91Å
576	L	70.9	Confident	78.2	Confident	102 Å²	102	39 Å²	39	53%	0.534	19%	0.191	S	C	.	.	H	α-helix	trans	-52.7	-32.9	177.4	-65.8	175.5	0	0	0	114.6	M415 T574 E578 L579 K580	M415-L576 HydrophobicContact CE-CD2 4.45Å; M415-L576 HydrophobicContact SD-CD2 3.58Å; M415-L576 VanDerWaalsContact SD-CD2 3.58Å; T574-L576 PolarHBondContact O-N 3.31Å; L576-E578 VanDerWaalsContact C-N 3.33Å; L576-E578 PolarHBondContact O-N 3.35Å; L576-L579 HydrophobicContact CD2-CD1 3.97Å; L576-L579 PolarHBondContact O-N 3.43Å; L576-K580 PolarHBondContact O-N 2.79Å
577	K	71.9	Confident	77.8	Confident	142 Å²	142	40.6 Å²	40.6	62%	0.617	20%	0.197	S	C	*	.	H	α-helix	trans	-64.1	-38.4	177.4	-70.3	-173.2	-179.7	-177.2	0	112.5	N575	N575-K577 PolarHBondContact O-N 3.05Å; N575-K577 VanDerWaalsContact O-N 3.09Å
578	E	74.6	Confident	77.7	Confident	26 Å²	26	43.2 Å²	43.2	12%	0.121	21%	0.211	C	C	.	.	H	α-helix	trans	-77.1	-30.5	-179	-62.6	-70.4	129.5	0	0	110.7	T573 N575 L576 K580 K581 L582 Y646 K657	T573-E578 HydrophobicContact CG2-CB 3.64Å; N575-E578 HydrophobicContact CB-CB 4.29Å; N575-E578 HydrophobicContact CB-CG 4Å; N575-E578 PolarHBondContact O-N 3.44Å; L576-E578 VanDerWaalsContact C-N 3.33Å; L576-E578 PolarHBondContact O-N 3.35Å; E578-K580 PolarHBondContact O-N 2.6Å; E578-K581 PolarHBondContact O-N 3.45Å; E578-L582 PolarHBondContact O-N 3.26Å; E578-Y646 WeakPolarHBondContact CG-OH 3.49Å; E578-Y646 PolarHBondContact OE2-OH 2.87Å; E578-K657 IonicContact OE1-NZ 2.84Å; E578-K657 PolarHBondContact OE1-NZ 3.37Å; E578-K657 IonicContact OE2-NZ 3.42Å; E578-K657 PolarHBondContact OE2-NZ 3.49Å
579	L	70.7	Confident	77.8	Confident	18 Å²	18	43.3 Å²	43.3	9%	0.094	21%	0.211	C	C	.	.	H	α-helix	trans	-57.1	-38.6	173	-66.6	179.2	0	0	0	111.9	T244 T573 N575 L576 K581 L582	T244-L579 VanDerWaalsContact CG2-O 3.32Å; T244-L579 WeakPolarHBondContact CG2-O 3.45Å; T573-L579 HydrophobicContact CG2-CD2 4.14Å; T573-L579 HydrophobicContact CG2-CG 4.37Å; N575-L579 PolarHBondContact O-N 2.04Å; L576-L579 HydrophobicContact CD2-CD1 3.97Å; L576-L579 PolarHBondContact O-N 3.43Å; L579-K581 PolarHBondContact O-N 3.13Å; L579-L582 HydrophobicContact CB-CD1 4.47Å; L579-L582 HydrophobicContact CD2-CD1 3.55Å; L579-L582 VanDerWaalsContact O-CB 3.32Å; L579-L582 WeakPolarHBondContact O-CB 3.19Å; L579-L582 PolarHBondContact O-N 3.17Å; L579-L582 VanDerWaalsContact O-N 3.09Å
580	K	69.8	Low	78	Confident	100 Å²	100	43.1 Å²	43.1	44%	0.435	21%	0.209	S	C	.	.	H	α-helix	trans	-57.5	-33.5	176.4	-74	-172.7	175.9	-163.2	0	113.4	T244 E245 L576 E578 L582	T244-K580 HydrophobicContact CG2-CG 4.36Å; E245-K580 IonicContact OE1-NZ 3.45Å; L576-K580 PolarHBondContact O-N 2.79Å; E578-K580 PolarHBondContact O-N 2.6Å; K580-L582 VanDerWaalsContact C-N 3.34Å
581	K	81	Confident	78.5	Confident	55 Å²	55	41.5 Å²	41.5	24%	0.239	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-9.1	-178.7	-61.3	-179.7	174	-178.9	0	113.6	D565 E578 L579 E583 D584 Y585	D565-K581 WeakPolarHBondContact O-CD 3.25Å; D565-K581 PolarHBondContact O-NZ 3.26Å; D565-K581 IonicContact OD1-NZ 2.7Å; D565-K581 IonicContact OD2-NZ 3.9Å; D565-K581 PolarHBondContact OD2-NZ 3.34Å; E578-K581 PolarHBondContact O-N 3.45Å; L579-K581 PolarHBondContact O-N 3.13Å; K581-E583 VanDerWaalsContact C-N 3.29Å; K581-E583 PolarHBondContact O-N 3.05Å; K581-D584 PolarHBondContact O-N 3.22Å; K581-Y585 WeakPolarHBondContact O-CB 3.32Å; K581-Y585 PolarHBondContact O-N 3.34Å
582	L	80.2	Confident	79.5	Confident	12 Å²	12	42.3 Å²	42.3	6%	0.063	21%	0.207	C	C	.	.	H	α-helix	trans	-63.3	-35.1	-179.8	-74.1	173.3	0	0	0	112.3	P567 Y570 L571 E578 L579 K580 Y585 M586	P567-L582 HydrophobicContact CB-CD2 4.38Å; P567-L582 HydrophobicContact CG-CD2 3.91Å; Y570-L582 HydrophobicContact CD2-CD2 4.22Å; L571-L582 WeakPolarHBondContact O-CD2 3.3Å; E578-L582 PolarHBondContact O-N 3.26Å; L579-L582 HydrophobicContact CB-CD1 4.47Å; L579-L582 HydrophobicContact CD2-CD1 3.55Å; L579-L582 VanDerWaalsContact O-CB 3.32Å; L579-L582 WeakPolarHBondContact O-CB 3.19Å; L579-L582 PolarHBondContact O-N 3.17Å; L579-L582 VanDerWaalsContact O-N 3.09Å; K580-L582 VanDerWaalsContact C-N 3.34Å; L582-Y585 PolarHBondContact O-N 3.46Å; L582-M586 WeakPolarHBondContact O-CB 3.34Å; L582-M586 VanDerWaalsContact O-CG 3.29Å; L582-M586 WeakPolarHBondContact O-CG 3.28Å; L582-M586 PolarHBondContact O-N 3.48Å
583	E	73.9	Confident	80.6	Confident	63 Å²	63	42.4 Å²	42.4	29%	0.294	21%	0.205	S	C	.	.	H	α-helix	trans	-67.4	-46.1	178.8	-170.8	-179.4	154	0	0	111.5	S241 K581 Y585 M586 R587	S241-E583 WeakPolarHBondContact CB-OE2 3.26Å; S241-E583 PolarHBondContact OG-OE2 3.25Å; K581-E583 VanDerWaalsContact C-N 3.29Å; K581-E583 PolarHBondContact O-N 3.05Å; E583-Y585 VanDerWaalsContact C-N 3.31Å; E583-Y585 PolarHBondContact O-N 3.48Å; E583-M586 WeakPolarHBondContact O-CB 3.32Å; E583-M586 PolarHBondContact O-N 2.96Å; E583-R587 VanDerWaalsContact O-CB 3.32Å; E583-R587 WeakPolarHBondContact O-CB 3.49Å; E583-R587 PolarHBondContact O-N 3.1Å; E583-R587 IonicContact OE1-CZ 3.37Å; E583-R587 IonicContact OE1-NH2 3.88Å; E583-R587 PolarHBondContact OE1-NH2 3.42Å
584	D	83.2	Confident	81	Confident	64 Å²	64	46.2 Å²	46.2	34%	0.342	22%	0.22	S	C	.	.	H	α-helix	trans	-65.3	-37.7	176.5	-68.5	-38.2	0	0	0	111.3	Y566 K581 R587 N588	Y566-D584 HydrophobicContact CE1-CB 3.79Å; K581-D584 PolarHBondContact O-N 3.22Å; D584-R587 PolarHBondContact O-N 3.26Å; D584-R587 IonicContact OD1-NH1 3.9Å; D584-N588 WeakPolarHBondContact O-CB 3.28Å; D584-N588 PolarHBondContact O-N 2.62Å; D584-N588 PolarHBondContact O-ND2 2.76Å
585	Y	87.5	Confident	81.6	Confident	1 Å²	1	44.5 Å²	44.5	0%	0.004	21%	0.209	C	C	.	.	H	α-helix	trans	-61.2	-44.5	171.6	178.8	-101.4	0	0	0	112	V561 Y566 P567 K581 L582 E583 R587 V589 F590	V561-Y585 HydrophobicContact CG2-CE2 4.5Å; Y566-Y585 HydrophobicContact CG-CD2 4.13Å; P567-Y585 HydrophobicContact CG-CD1 4.5Å; P567-Y585 HydrophobicContact CG-CD2 4.33Å; P567-Y585 HydrophobicContact CG-CG 3.97Å; P567-Y585 WeakPolarHBondContact O-CE2 3.44Å; K581-Y585 WeakPolarHBondContact O-CB 3.32Å; K581-Y585 PolarHBondContact O-N 3.34Å; L582-Y585 PolarHBondContact O-N 3.46Å; E583-Y585 VanDerWaalsContact C-N 3.31Å; E583-Y585 PolarHBondContact O-N 3.48Å; Y585-R587 VanDerWaalsContact C-N 3.34Å; Y585-R587 PolarHBondContact O-N 2.96Å; Y585-V589 HydrophobicContact CD2-CB 3.75Å; Y585-V589 HydrophobicContact CD2-CG1 4.11Å; Y585-V589 HydrophobicContact CD2-CG2 3.96Å; Y585-V589 HydrophobicContact CE2-CB 3.72Å; Y585-V589 HydrophobicContact CE2-CG1 3.55Å; Y585-V589 HydrophobicContact CE2-CG2 4.21Å; Y585-V589 HydrophobicContact CG-CB 4.43Å; Y585-V589 WeakPolarHBondContact O-CA 3.41Å; Y585-V589 WeakPolarHBondContact O-CB 3.36Å; Y585-V589 PolarHBondContact O-N 3.08Å; Y585-F590 HydrophobicContact CD1-CB 4.3Å; Y585-F590 HydrophobicContact CE1-CB 4.06Å; Y585-F590 HydrophobicContact CE1-CD2 4.23Å; Y585-F590 PolarHBondContact O-N 3.19Å
586	M	84.3	Confident	82.4	Confident	36 Å²	36	42.3 Å²	42.3	18%	0.177	20%	0.197	C	C	.	.	I	π-helix	trans	-59	-49.2	176.7	-80.1	-64.5	-80.8	0	0	111.3	Y570 L582 E583 F590 I591	Y570-M586 HydrophobicContact CD1-CE 4.41Å; Y570-M586 HydrophobicContact CD1-SD 3.89Å; Y570-M586 HydrophobicContact CD2-CE 4.34Å; Y570-M586 HydrophobicContact CD2-CG 3.28Å; Y570-M586 HydrophobicContact CD2-SD 3.16Å; Y570-M586 WeakPolarHBondContact CD2-SD 3.49Å; Y570-M586 HydrophobicContact CE1-CE 4.06Å; Y570-M586 HydrophobicContact CE1-SD 4.01Å; Y570-M586 HydrophobicContact CE2-CE 4.01Å; Y570-M586 HydrophobicContact CE2-CG 3.09Å; Y570-M586 HydrophobicContact CE2-SD 3.33Å; Y570-M586 WeakPolarHBondContact CE2-SD 3.46Å; Y570-M586 HydrophobicContact CG-CG 4.19Å; Y570-M586 HydrophobicContact CG-SD 3.44Å; L582-M586 WeakPolarHBondContact O-CB 3.34Å; L582-M586 VanDerWaalsContact O-CG 3.29Å; L582-M586 WeakPolarHBondContact O-CG 3.28Å; L582-M586 PolarHBondContact O-N 3.48Å; E583-M586 WeakPolarHBondContact O-CB 3.32Å; E583-M586 PolarHBondContact O-N 2.96Å; M586-F590 HydrophobicContact CE-CD1 3.48Å; M586-F590 VanDerWaalsContact CE-CD1 3.48Å; M586-F590 HydrophobicContact CE-CE1 3.89Å; M586-F590 HydrophobicContact CE-CG 4.3Å; M586-F590 PolarHBondContact O-N 3.23Å; M586-F590 HydrophobicContact SD-CB 3.48Å; M586-F590 WeakPolarHBondContact SD-CB 3.2Å; M586-F590 HydrophobicContact SD-CD1 3.19Å; M586-F590 WeakPolarHBondContact SD-CD1 3.35Å; M586-F590 HydrophobicContact SD-CD2 4.28Å; M586-F590 HydrophobicContact SD-CE1 3.93Å; M586-F590 HydrophobicContact SD-CG 3.39Å; M586-F590 WeakPolarHBondContact SD-CG 3.17Å; M586-I591 HydrophobicContact CE-CG2 4.36Å; M586-I591 WeakPolarHBondContact O-CG1 3.48Å; M586-I591 PolarHBondContact O-N 2.94Å; M586-I591 VanDerWaalsContact O-N 3.15Å
587	R	82.6	Confident	83.4	Confident	57 Å²	57	37.7 Å²	37.7	22%	0.215	18%	0.175	C	C	.	.	I	π-helix	trans	-65.4	-43.7	-177.1	-176.7	-176.5	-60.4	169	1.3	112.9	V507 E583 D584 Y585 K592	V507-R587 HydrophobicContact CG1-CB 4.36Å; V507-R587 HydrophobicContact CG1-CG 3.68Å; E583-R587 VanDerWaalsContact O-CB 3.32Å; E583-R587 WeakPolarHBondContact O-CB 3.49Å; E583-R587 PolarHBondContact O-N 3.1Å; E583-R587 IonicContact OE1-CZ 3.37Å; E583-R587 IonicContact OE1-NH2 3.88Å; E583-R587 PolarHBondContact OE1-NH2 3.42Å; D584-R587 PolarHBondContact O-N 3.26Å; D584-R587 IonicContact OD1-NH1 3.9Å; Y585-R587 VanDerWaalsContact C-N 3.34Å; Y585-R587 PolarHBondContact O-N 2.96Å; R587-K592 WeakPolarHBondContact O-CE 3.4Å; R587-K592 PolarHBondContact O-NZ 3.27Å
588	N	87.7	Confident	84.4	Confident	56 Å²	56	31.1 Å²	31.1	30%	0.299	15%	0.147	S	C	.	.	I	π-helix	trans	-101.9	-12.4	-168.6	-62.8	-33	0	0	0	113.4	Y566 D584 Y594	Y566-N588 HydrophobicContact CE2-CB 4.33Å; Y566-N588 PolarHBondContact OH-ND2 2.98Å; D584-N588 WeakPolarHBondContact O-CB 3.28Å; D584-N588 PolarHBondContact O-N 2.62Å; D584-N588 PolarHBondContact O-ND2 2.76Å; N588-Y594 PolarHBondContact O-OH 2.78Å
589	V	89.5	Confident	85.4	Confident	1 Å²	1	29.9 Å²	29.9	1%	0.006	14%	0.141	C	C	.	.	I	π-helix	trans	-135.1	-57	-174.3	-175	0	0	0	0	111.1	H557 I560 Y566 Y585 K592 T595	H557-V589 VanDerWaalsContact NE2-CG1 3.33Å; H557-V589 WeakPolarHBondContact NE2-CG1 3.34Å; I560-V589 HydrophobicContact CG2-CG2 3.8Å; Y566-V589 HydrophobicContact CD2-CG2 3.69Å; Y566-V589 HydrophobicContact CE2-CG2 3.8Å; Y585-V589 HydrophobicContact CD2-CB 3.75Å; Y585-V589 HydrophobicContact CD2-CG1 4.11Å; Y585-V589 HydrophobicContact CD2-CG2 3.96Å; Y585-V589 HydrophobicContact CE2-CB 3.72Å; Y585-V589 HydrophobicContact CE2-CG1 3.55Å; Y585-V589 HydrophobicContact CE2-CG2 4.21Å; Y585-V589 HydrophobicContact CG-CB 4.43Å; Y585-V589 WeakPolarHBondContact O-CA 3.41Å; Y585-V589 WeakPolarHBondContact O-CB 3.36Å; Y585-V589 PolarHBondContact O-N 3.08Å; V589-K592 PolarHBondContact O-N 3.05Å; V589-T595 HydrophobicContact CG1-CG2 3.63Å; V589-T595 WeakPolarHBondContact O-CG2 3.49Å; V589-T595 PolarHBondContact O-OG1 3.01Å; V589-T595 VanDerWaalsContact O-OG1 3.14Å
590	F	88.8	Confident	86.5	Confident	7 Å²	7	29.2 Å²	29.2	3%	0.031	14%	0.137	C	C	.	.	I	π-helix	trans	-64.6	-55.1	-168.5	-171.3	-101.1	0	0	0	113.5	A430 W516 Y585 M586 K592 H596	A430-F590 HydrophobicContact CB-CE2 3.8Å; A430-F590 HydrophobicContact CB-CZ 3.89Å; W516-F590 HydrophobicContact CH2-CD1 4.48Å; W516-F590 AromaticContact CH2-CE1 3.86Å; W516-F590 HydrophobicContact CH2-CE1 3.86Å; W516-F590 HydrophobicContact CH2-CZ 4.2Å; W516-F590 HydrophobicContact CZ2-CD1 4.24Å; W516-F590 AromaticContact CZ2-CE1 3.44Å; W516-F590 HydrophobicContact CZ2-CE1 3.44Å; W516-F590 VanDerWaalsContact CZ2-CE1 3.44Å; W516-F590 HydrophobicContact CZ2-CZ 4.04Å; Y585-F590 HydrophobicContact CD1-CB 4.3Å; Y585-F590 HydrophobicContact CE1-CB 4.06Å; Y585-F590 HydrophobicContact CE1-CD2 4.23Å; Y585-F590 PolarHBondContact O-N 3.19Å; M586-F590 HydrophobicContact CE-CD1 3.48Å; M586-F590 VanDerWaalsContact CE-CD1 3.48Å; M586-F590 HydrophobicContact CE-CE1 3.89Å; M586-F590 HydrophobicContact CE-CG 4.3Å; M586-F590 PolarHBondContact O-N 3.23Å; M586-F590 HydrophobicContact SD-CB 3.48Å; M586-F590 WeakPolarHBondContact SD-CB 3.2Å; M586-F590 HydrophobicContact SD-CD1 3.19Å; M586-F590 WeakPolarHBondContact SD-CD1 3.35Å; M586-F590 HydrophobicContact SD-CD2 4.28Å; M586-F590 HydrophobicContact SD-CE1 3.93Å; M586-F590 HydrophobicContact SD-CG 3.39Å; M586-F590 WeakPolarHBondContact SD-CG 3.17Å; F590-K592 PolarHBondContact O-N 3.22Å; F590-K592 VanDerWaalsContact O-N 3.13Å; F590-H596 PolarHBondContact O-CD2 3.42Å; F590-H596 PolarHBondContact O-NE2 2.85Å
591	I	88.3	Confident	87.7	Confident	20 Å²	20	24.8 Å²	24.8	10%	0.103	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-8.3	-175.8	69.2	-178.1	0	0	0	113.5	V507 W516 M586	V507-I591 HydrophobicContact CB-CD1 4.41Å; V507-I591 HydrophobicContact CG1-CD1 3.24Å; V507-I591 HydrophobicContact CG2-CD1 4.38Å; W516-I591 HydrophobicContact CB-CB 4.14Å; W516-I591 HydrophobicContact CB-CG2 4.31Å; W516-I591 HydrophobicContact CD2-CB 4.45Å; W516-I591 HydrophobicContact CD2-CG2 4.35Å; W516-I591 HydrophobicContact CG-CB 4.26Å; W516-I591 HydrophobicContact CG-CG2 4.06Å; M586-I591 HydrophobicContact CE-CG2 4.36Å; M586-I591 WeakPolarHBondContact O-CG1 3.48Å; M586-I591 PolarHBondContact O-N 2.94Å; M586-I591 VanDerWaalsContact O-N 3.15Å
592	K	89.8	Confident	88.4	Confident	24 Å²	24	23.2 Å²	23.2	10%	0.104	11%	0.113	C	C	.	.	S	Bend	trans	-79.2	138.9	-171.7	-61.3	-61	-168	-156.6	0	110.2	N503 R587 V589 F590 Y594 T595	N503-K592 WeakPolarHBondContact O-CD 3.47Å; N503-K592 PolarHBondContact O-NZ 2.93Å; R587-K592 WeakPolarHBondContact O-CE 3.4Å; R587-K592 PolarHBondContact O-NZ 3.27Å; V589-K592 PolarHBondContact O-N 3.05Å; F590-K592 PolarHBondContact O-N 3.22Å; F590-K592 VanDerWaalsContact O-N 3.13Å; K592-Y594 HydrophobicContact CB-CD1 3.77Å; K592-Y594 HydrophobicContact CB-CD2 4.34Å; K592-Y594 HydrophobicContact CB-CE1 3.36Å; K592-Y594 HydrophobicContact CB-CE2 3.96Å; K592-Y594 HydrophobicContact CB-CG 4.26Å; K592-Y594 VanDerWaalsContact CB-CZ 3.47Å; K592-Y594 HydrophobicContact CD-CE1 4.31Å; K592-Y594 HydrophobicContact CG-CE1 3.7Å; K592-Y594 HydrophobicContact CG-CE2 4.5Å; K592-Y594 PolarHBondContact O-N 3.27Å; K592-Y594 VanDerWaalsContact O-N 3.17Å; K592-T595 PolarHBondContact O-N 3.05Å; K592-T595 PolarHBondContact O-OG1 2.84Å
593	P	88.8	Confident	89.2	Confident	18 Å²	18	22.7 Å²	22.7	12%	0.117	11%	0.11	C	C	.	.	H	α-helix	trans	-65.2	-23.7	-177	26.8	-36.9	0	0	0	113.8	F504 A520 Q523 T595 H596 G597	F504-P593 HydrophobicContact CE1-CG 4.35Å; F504-P593 HydrophobicContact CE2-CG 4.04Å; F504-P593 HydrophobicContact CZ-CG 3.48Å; F504-P593 VanDerWaalsContact CZ-CG 3.48Å; A520-P593 HydrophobicContact CB-CB 4.33Å; Q523-P593 HydrophobicContact CB-CB 4.38Å; Q523-P593 VanDerWaalsContact OE1-CG 3.23Å; P593-T595 VanDerWaalsContact C-N 3.31Å; P593-T595 PolarHBondContact O-N 2.64Å; P593-H596 CarbonylContact O-C 3.46Å; P593-H596 PolarHBondContact O-N 3.06Å; P593-G597 PolarHBondContact O-N 3.11Å
594	Y	86.5	Confident	90.1	Very high	82 Å²	82	19.7 Å²	19.7	32%	0.322	10%	0.096	S	C	.	.	H	α-helix	trans	-70.3	-22.9	-177.1	54	-107	0	0	0	114.2	I560 N588 K592	I560-Y594 HydrophobicContact CD1-CE2 4.03Å; N588-Y594 PolarHBondContact O-OH 2.78Å; K592-Y594 HydrophobicContact CB-CD1 3.77Å; K592-Y594 HydrophobicContact CB-CD2 4.34Å; K592-Y594 HydrophobicContact CB-CE1 3.36Å; K592-Y594 HydrophobicContact CB-CE2 3.96Å; K592-Y594 HydrophobicContact CB-CG 4.26Å; K592-Y594 VanDerWaalsContact CB-CZ 3.47Å; K592-Y594 HydrophobicContact CD-CE1 4.31Å; K592-Y594 HydrophobicContact CG-CE1 3.7Å; K592-Y594 HydrophobicContact CG-CE2 4.5Å; K592-Y594 PolarHBondContact O-N 3.27Å; K592-Y594 VanDerWaalsContact O-N 3.17Å
595	T	87.8	Confident	90.7	Very high	4 Å²	4	18.1 Å²	18.1	3%	0.025	9%	0.089	C	C	.	.	H	α-helix	trans	-77.5	-32.5	174.2	54.2	0	0	0	0	111.5	V589 K592 P593	V589-T595 HydrophobicContact CG1-CG2 3.63Å; V589-T595 WeakPolarHBondContact O-CG2 3.49Å; V589-T595 PolarHBondContact O-OG1 3.01Å; V589-T595 VanDerWaalsContact O-OG1 3.14Å; K592-T595 PolarHBondContact O-N 3.05Å; K592-T595 PolarHBondContact O-OG1 2.84Å; P593-T595 VanDerWaalsContact C-N 3.31Å; P593-T595 PolarHBondContact O-N 2.64Å
596	H	92.2	Very high	91	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-91.3	-3	176.9	-60.8	-69.2	0	0	0	113.9	D434 F437 W516 F590 P593 C598 P599 Y600	D434-H596 IonicContact OD1-CE1 2.76Å; D434-H596 PolarHBondContact OD1-CE1 3.32Å; D434-H596 IonicContact OD1-CG 3.15Å; D434-H596 IonicContact OD1-ND1 2.66Å; D434-H596 PolarHBondContact OD1-ND1 3.11Å; F437-H596 HydrophobicContact CD1-CB 4.13Å; F437-H596 HydrophobicContact CD2-CB 3.67Å; F437-H596 AromaticContact CD2-CG 3.76Å; F437-H596 AromaticContact CD2-ND1 3.64Å; F437-H596 HydrophobicContact CE1-CB 4.06Å; F437-H596 HydrophobicContact CE2-CB 3.61Å; F437-H596 AromaticContact CE2-CD2 3.98Å; F437-H596 AromaticContact CE2-CG 3.41Å; F437-H596 VanDerWaalsContact CE2-CG 3.41Å; F437-H596 AromaticContact CE2-ND1 3.52Å; F437-H596 HydrophobicContact CG-CB 3.95Å; F437-H596 HydrophobicContact CZ-CB 3.81Å; F437-H596 AromaticContact CZ-CG 3.92Å; W516-H596 AromaticContact CH2-NE2 3.66Å; W516-H596 AromaticContact CZ3-CD2 3.72Å; W516-H596 AromaticContact CZ3-NE2 3.39Å; W516-H596 WeakPolarHBondContact CZ3-NE2 3.48Å; F590-H596 PolarHBondContact O-CD2 3.42Å; F590-H596 PolarHBondContact O-NE2 2.85Å; P593-H596 CarbonylContact O-C 3.46Å; P593-H596 PolarHBondContact O-N 3.06Å; H596-C598 VanDerWaalsContact C-N 3.3Å; H596-C598 PolarHBondContact O-N 2.97Å; H596-P599 HydrophobicContact CB-CG 4.49Å; H596-P599 VanDerWaalsContact O-CD 3.26Å; H596-P599 WeakPolarHBondContact O-CD 3.33Å; H596-P599 VanDerWaalsContact O-CG 3.22Å; H596-P599 WeakPolarHBondContact O-CG 3.43Å; H596-Y600 PolarHBondContact O-N 3.19Å
597	G	91.4	Very high	91.4	Very high	6 Å²	6	16.8 Å²	16.8	6%	0.062	8%	0.083	C	C	.	.	H	α-helix	trans	-63.1	-36.2	172.3	0	0	0	0	0	112.4	P593 Y600 V601	P593-G597 PolarHBondContact O-N 3.11Å; G597-Y600 PolarHBondContact O-N 3.3Å; G597-V601 WeakPolarHBondContact O-CG2 3.47Å; G597-V601 PolarHBondContact O-N 3.33Å
598	C	93.1	Very high	91.8	Very high	4 Å²	4	16.1 Å²	16.1	3%	0.027	8%	0.081	C	C	.	.	H	α-helix	trans	-55.7	-60.6	175.7	-70.7	0	0	0	0	113.2	M553 H596 Y600 V601 I602 L666	M553-C598 WeakPolarHBondContact CB-SG 3.48Å; H596-C598 VanDerWaalsContact C-N 3.3Å; H596-C598 PolarHBondContact O-N 2.97Å; C598-Y600 PolarHBondContact O-N 2.65Å; C598-V601 PolarHBondContact O-N 3.45Å; C598-I602 WeakPolarHBondContact O-CD1 3.48Å; C598-I602 VanDerWaalsContact O-CG1 3.25Å; C598-I602 WeakPolarHBondContact O-CG1 3.3Å; C598-I602 PolarHBondContact O-N 3.47Å; C598-L666 HydrophobicContact CB-CD2 4.21Å
599	P	95.6	Very high	92	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-58.9	-35.8	178	18.3	-29.2	0	0	0	112.2	D434 F437 L438 H596 G603 P669	D434-P599 HydrophobicContact CB-CB 4.11Å; D434-P599 HydrophobicContact CB-CG 4.09Å; F437-P599 HydrophobicContact CB-CB 4.12Å; F437-P599 HydrophobicContact CB-CG 4.03Å; L438-P599 WeakPolarHBondContact CA-O 3.38Å; H596-P599 HydrophobicContact CB-CG 4.49Å; H596-P599 VanDerWaalsContact O-CD 3.26Å; H596-P599 WeakPolarHBondContact O-CD 3.33Å; H596-P599 VanDerWaalsContact O-CG 3.22Å; H596-P599 WeakPolarHBondContact O-CG 3.43Å; P599-G603 PolarHBondContact O-N 3.41Å; P599-P669 HydrophobicContact CB-CB 3.79Å; P599-P669 HydrophobicContact CB-CG 3.89Å
600	Y	95.4	Very high	92	Very high	3 Å²	3	17 Å²	17	1%	0.012	9%	0.085	C	C	.	.	H	α-helix	trans	-64.8	-47.7	178.5	-159.7	-76.9	0	0	0	112.5	F437 E521 C524 F525 A528 H596 G597 C598 G603 I604	F437-Y600 HydrophobicContact CD1-CD2 4.2Å; E521-Y600 HydrophobicContact CG-CE2 4.49Å; C524-Y600 HydrophobicContact CB-CD1 4.15Å; C524-Y600 HydrophobicContact CB-CD2 3.57Å; C524-Y600 HydrophobicContact CB-CE1 4.41Å; C524-Y600 HydrophobicContact CB-CE2 3.8Å; C524-Y600 HydrophobicContact CB-CG 3.73Å; F525-Y600 WeakPolarHBondContact CA-OH 3.4Å; A528-Y600 HydrophobicContact CB-CD1 4.25Å; A528-Y600 HydrophobicContact CB-CE1 3.48Å; A528-Y600 VanDerWaalsContact CB-CE1 3.48Å; H596-Y600 PolarHBondContact O-N 3.19Å; G597-Y600 PolarHBondContact O-N 3.3Å; C598-Y600 PolarHBondContact O-N 2.65Å; Y600-G603 CarbonylContact O-C 3.57Å; Y600-G603 WeakPolarHBondContact O-CA 3.05Å; Y600-G603 PolarHBondContact O-N 3.05Å; Y600-G603 VanDerWaalsContact O-N 3.09Å; Y600-I604 HydrophobicContact CD1-CD1 3.91Å; Y600-I604 HydrophobicContact CD1-CG1 4.1Å; Y600-I604 HydrophobicContact CE1-CD1 3.99Å; Y600-I604 HydrophobicContact CE1-CG1 4.09Å; Y600-I604 PolarHBondContact O-N 3.27Å
601	V	94.4	Very high	92	Very high	7 Å²	7	18.6 Å²	18.6	4%	0.042	10%	0.095	C	C	.	.	H	α-helix	trans	-67.1	-39.5	178.6	175.5	0	0	0	0	111.3	F531 A546 T550 G597 C598 G603 I604 C605	F531-V601 HydrophobicContact CE2-CG2 4.48Å; F531-V601 HydrophobicContact CZ-CG2 4.39Å; A546-V601 HydrophobicContact CB-CG1 3.73Å; T550-V601 HydrophobicContact CG2-CB 3.69Å; T550-V601 HydrophobicContact CG2-CG1 3.55Å; G597-V601 WeakPolarHBondContact O-CG2 3.47Å; G597-V601 PolarHBondContact O-N 3.33Å; C598-V601 PolarHBondContact O-N 3.45Å; V601-G603 PolarHBondContact O-N 2.89Å; V601-I604 WeakPolarHBondContact O-CB 3.35Å; V601-I604 PolarHBondContact O-N 3.42Å; V601-I604 VanDerWaalsContact O-N 3.1Å; V601-C605 PolarHBondContact O-N 2.85Å
602	I	95.4	Very high	91.9	Very high	23 Å²	23	23.2 Å²	23.2	12%	0.118	11%	0.114	C	C	.	.	H	α-helix	trans	-57.2	-41.2	170.3	-67.3	165.5	0	0	0	109.9	L438 T550 C598 C605 L606 L666 P669 L670	L438-I602 HydrophobicContact CD1-CB 4.34Å; L438-I602 HydrophobicContact CD1-CG2 3.83Å; T550-I602 HydrophobicContact CG2-CG1 4.27Å; C598-I602 WeakPolarHBondContact O-CD1 3.48Å; C598-I602 VanDerWaalsContact O-CG1 3.25Å; C598-I602 WeakPolarHBondContact O-CG1 3.3Å; C598-I602 PolarHBondContact O-N 3.47Å; I602-C605 PolarHBondContact O-N 2.77Å; I602-L606 WeakPolarHBondContact O-CB 3.2Å; I602-L606 PolarHBondContact O-N 3.11Å; I602-L666 HydrophobicContact CD1-CD2 4.2Å; I602-P669 HydrophobicContact CD1-CB 4.3Å; I602-P669 HydrophobicContact CD1-CG 3.8Å; I602-P669 HydrophobicContact CG2-CB 4.43Å; I602-L670 HydrophobicContact CD1-CD2 4.45Å; I602-L670 HydrophobicContact CD1-CG 4.27Å; I602-L670 HydrophobicContact CG2-CD2 4.07Å
603	G	96.3	Very high	91.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-57.7	-47.7	172.8	0	0	0	0	0	112.5	L438 G441 C442 P599 Y600 V601 C605 L606 G607	L438-G603 WeakPolarHBondContact O-CA 3.27Å; G441-G603 VanDerWaalsContact C-C 3.46Å; C442-G603 WeakPolarHBondContact CA-O 3.3Å; C442-G603 PolarHBondContact N-O 3.35Å; P599-G603 PolarHBondContact O-N 3.41Å; Y600-G603 CarbonylContact O-C 3.57Å; Y600-G603 WeakPolarHBondContact O-CA 3.05Å; Y600-G603 PolarHBondContact O-N 3.05Å; Y600-G603 VanDerWaalsContact O-N 3.09Å; V601-G603 PolarHBondContact O-N 2.89Å; G603-C605 VanDerWaalsContact C-N 3.32Å; G603-C605 PolarHBondContact O-N 3.47Å; G603-L606 WeakPolarHBondContact O-CB 3.47Å; G603-L606 PolarHBondContact O-N 3.49Å; G603-L606 VanDerWaalsContact O-N 3.15Å; G603-G607 PolarHBondContact O-N 3.3Å
604	I	94.5	Very high	91.3	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-57.1	-46.6	177.7	-65.1	170.4	0	0	0	111.1	S445 A528 F531 L532 L535 Y600 V601 G607 Y608	S445-I604 VanDerWaalsContact CB-O 3.23Å; S445-I604 WeakPolarHBondContact CB-O 3.02Å; S445-I604 PolarHBondContact OG-O 2.94Å; A528-I604 HydrophobicContact CB-CD1 3.56Å; A528-I604 HydrophobicContact CB-CG1 4.49Å; F531-I604 HydrophobicContact CB-CD1 4.15Å; L532-I604 HydrophobicContact CD2-CG2 3.88Å; L535-I604 HydrophobicContact CD1-CG2 3.54Å; Y600-I604 HydrophobicContact CD1-CD1 3.91Å; Y600-I604 HydrophobicContact CD1-CG1 4.1Å; Y600-I604 HydrophobicContact CE1-CD1 3.99Å; Y600-I604 HydrophobicContact CE1-CG1 4.09Å; Y600-I604 PolarHBondContact O-N 3.27Å; V601-I604 WeakPolarHBondContact O-CB 3.35Å; V601-I604 PolarHBondContact O-N 3.42Å; V601-I604 VanDerWaalsContact O-N 3.1Å; I604-G607 PolarHBondContact O-N 2.89Å; I604-Y608 PolarHBondContact O-N 3.08Å; I604-Y608 VanDerWaalsContact O-N 3.11Å
605	C	94.3	Very high	90.8	Very high	30 Å²	30	29.9 Å²	29.9	20%	0.203	15%	0.151	C	C	.	.	H	α-helix	trans	-62.5	-42.5	176.9	-70.6	0	0	0	0	111.9	A546 V601 I602 G603 Y608 L609	A546-C605 VanDerWaalsContact CB-SG 3.56Å; V601-C605 PolarHBondContact O-N 2.85Å; I602-C605 PolarHBondContact O-N 2.77Å; G603-C605 VanDerWaalsContact C-N 3.32Å; G603-C605 PolarHBondContact O-N 3.47Å; C605-Y608 PolarHBondContact O-N 2.74Å; C605-L609 WeakPolarHBondContact O-CB 3.41Å; C605-L609 PolarHBondContact O-N 3.31Å
606	L	94.5	Very high	90.2	Very high	10 Å²	10	35.7 Å²	35.7	5%	0.052	18%	0.176	C	C	.	.	H	α-helix	trans	-61.1	-46.3	175.9	176.5	63.6	0	0	0	111.4	L438 C442 I602 G603 Y608 L609 L610 I676 V677	L438-L606 HydrophobicContact CD1-CD2 4.09Å; L438-L606 HydrophobicContact CG-CD2 4.36Å; C442-L606 HydrophobicContact CB-CD2 4.29Å; I602-L606 WeakPolarHBondContact O-CB 3.2Å; I602-L606 PolarHBondContact O-N 3.11Å; G603-L606 WeakPolarHBondContact O-CB 3.47Å; G603-L606 PolarHBondContact O-N 3.49Å; G603-L606 VanDerWaalsContact O-N 3.15Å; L606-Y608 VanDerWaalsContact C-N 3.31Å; L606-Y608 PolarHBondContact O-N 3.25Å; L606-L609 WeakPolarHBondContact O-CB 3.09Å; L606-L609 PolarHBondContact O-N 3.26Å; L606-L609 VanDerWaalsContact O-N 3.15Å; L606-L610 HydrophobicContact CD1-CD1 4.44Å; L606-L610 HydrophobicContact CD1-CG 4.21Å; L606-L610 HydrophobicContact CG-CD1 4.23Å; L606-L610 HydrophobicContact CG-CG 4.41Å; L606-L610 VanDerWaalsContact O-CG 3.32Å; L606-L610 WeakPolarHBondContact O-CG 3.35Å; L606-L610 PolarHBondContact O-N 3.11Å; L606-I676 HydrophobicContact CD1-CG2 4.39Å; L606-I676 HydrophobicContact CD2-CB 4.36Å; L606-I676 HydrophobicContact CD2-CD1 3.94Å; L606-I676 HydrophobicContact CD2-CG2 4.17Å; L606-V677 HydrophobicContact CD1-CG2 3.47Å; L606-V677 VanDerWaalsContact CD1-CG2 3.47Å
607	G	92.6	Very high	89.1	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-59.9	-40.8	177.7	0	0	0	0	0	112.5	C442 G603 I604 L610 V611	C442-G607 WeakPolarHBondContact O-CA 3.16Å; G603-G607 PolarHBondContact O-N 3.3Å; I604-G607 PolarHBondContact O-N 2.89Å; G607-L610 PolarHBondContact O-N 3.44Å; G607-V611 WeakPolarHBondContact O-CG2 3.24Å; G607-V611 PolarHBondContact O-N 2.9Å
608	Y	91.8	Very high	88.2	Confident	42 Å²	42	47 Å²	47	17%	0.165	24%	0.235	C	C	.	.	H	α-helix	trans	-64.8	-42.2	174.6	178.9	-110.4	0	0	0	112.1	S445 F449 P539 I604 C605 L606 V611 K612	S445-Y608 PolarHBondContact OG-N 3.5Å; F449-Y608 HydrophobicContact CD1-CD2 4.1Å; F449-Y608 HydrophobicContact CD1-CE2 4.3Å; F449-Y608 AromaticContact CD2-CD2 3.72Å; F449-Y608 HydrophobicContact CD2-CD2 3.72Å; F449-Y608 HydrophobicContact CD2-CG 4.49Å; F449-Y608 AromaticContact CE1-CD2 3.92Å; F449-Y608 HydrophobicContact CE1-CD2 3.92Å; F449-Y608 AromaticContact CE1-CE2 3.99Å; F449-Y608 HydrophobicContact CE1-CE2 3.99Å; F449-Y608 AromaticContact CE2-CD2 3.54Å; F449-Y608 HydrophobicContact CE2-CD2 3.54Å; F449-Y608 HydrophobicContact CE2-CE2 4.39Å; F449-Y608 HydrophobicContact CE2-CG 4.25Å; F449-Y608 HydrophobicContact CG-CD2 4.03Å; F449-Y608 AromaticContact CZ-CD2 3.66Å; F449-Y608 HydrophobicContact CZ-CD2 3.66Å; F449-Y608 HydrophobicContact CZ-CE2 4.07Å; P539-Y608 VanDerWaalsContact CB-OH 3.28Å; P539-Y608 WeakPolarHBondContact CB-OH 3.18Å; I604-Y608 PolarHBondContact O-N 3.08Å; I604-Y608 VanDerWaalsContact O-N 3.11Å; C605-Y608 PolarHBondContact O-N 2.74Å; L606-Y608 VanDerWaalsContact C-N 3.31Å; L606-Y608 PolarHBondContact O-N 3.25Å; Y608-V611 PolarHBondContact O-N 3.26Å; Y608-K612 HydrophobicContact CE1-CD 4.08Å; Y608-K612 VanDerWaalsContact CE1-CE 3.48Å; Y608-K612 VanDerWaalsContact CE1-NZ 3.29Å; Y608-K612 VanDerWaalsContact CZ-NZ 3.28Å; Y608-K612 PolarHBondContact O-N 3.2Å; Y608-K612 WeakPolarHBondContact OH-CE 3.49Å; Y608-K612 PolarHBondContact OH-NZ 3.21Å
609	L	91.4	Very high	87	Confident	76 Å²	76	56.2 Å²	56.2	40%	0.398	28%	0.277	S	S	.	.	H	α-helix	trans	-62.9	-44.8	176.1	179.4	62.9	0	0	0	111.7	C605 L606 V611 K612 L613 V677	C605-L609 WeakPolarHBondContact O-CB 3.41Å; C605-L609 PolarHBondContact O-N 3.31Å; L606-L609 WeakPolarHBondContact O-CB 3.09Å; L606-L609 PolarHBondContact O-N 3.26Å; L606-L609 VanDerWaalsContact O-N 3.15Å; L609-V611 VanDerWaalsContact C-N 3.3Å; L609-V611 PolarHBondContact O-N 3.23Å; L609-K612 PolarHBondContact O-N 3.04Å; L609-K612 VanDerWaalsContact O-N 3.09Å; L609-L613 HydrophobicContact CD1-CD1 3.84Å; L609-L613 HydrophobicContact CD1-CG 3.98Å; L609-L613 HydrophobicContact CD2-CD1 4.26Å; L609-L613 HydrophobicContact CG-CD1 3.71Å; L609-L613 HydrophobicContact CG-CG 4.22Å; L609-L613 WeakPolarHBondContact O-CG 3.33Å; L609-L613 PolarHBondContact O-N 2.84Å; L609-V677 HydrophobicContact CD2-CG2 4.05Å
610	L	90.4	Very high	85.9	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-61.5	-36.7	179.8	-71.7	176.2	0	0	0	112.7	L381 C442 Y446 L606 G607 L613 K614 I676 V677 Q680	L381-L610 HydrophobicContact CD1-CD1 4.14Å; C442-L610 VanDerWaalsContact SG-CD1 3.6Å; Y446-L610 HydrophobicContact CD2-CB 4.02Å; Y446-L610 HydrophobicContact CE2-CB 4.33Å; L606-L610 HydrophobicContact CD1-CD1 4.44Å; L606-L610 HydrophobicContact CD1-CG 4.21Å; L606-L610 HydrophobicContact CG-CD1 4.23Å; L606-L610 HydrophobicContact CG-CG 4.41Å; L606-L610 VanDerWaalsContact O-CG 3.32Å; L606-L610 WeakPolarHBondContact O-CG 3.35Å; L606-L610 PolarHBondContact O-N 3.11Å; G607-L610 PolarHBondContact O-N 3.44Å; L610-L613 PolarHBondContact O-N 3.36Å; L610-K614 PolarHBondContact O-N 3.25Å; L610-I676 HydrophobicContact CD1-CG2 3.79Å; L610-I676 HydrophobicContact CD2-CG2 4.15Å; L610-V677 HydrophobicContact CD2-CG2 4.32Å; L610-Q680 HydrophobicContact CD2-CB 4.04Å; L610-Q680 HydrophobicContact CD2-CG 4.03Å
611	V	87.6	Confident	85	Confident	40 Å²	40	65.9 Å²	65.9	24%	0.242	33%	0.328	C	S	.	.	H	α-helix	trans	-64.2	-41.7	174.4	174.2	0	0	0	0	110.9	Y446 F449 G607 Y608 L609 L613 K614	Y446-V611 HydrophobicContact CD2-CG2 3.45Å; Y446-V611 VanDerWaalsContact CD2-CG2 3.45Å; Y446-V611 HydrophobicContact CE2-CG2 3.85Å; Y446-V611 HydrophobicContact CG-CG2 4.15Å; F449-V611 HydrophobicContact CB-CB 4.38Å; F449-V611 HydrophobicContact CB-CG1 4.24Å; F449-V611 HydrophobicContact CB-CG2 3.99Å; G607-V611 WeakPolarHBondContact O-CG2 3.24Å; G607-V611 PolarHBondContact O-N 2.9Å; Y608-V611 PolarHBondContact O-N 3.26Å; L609-V611 VanDerWaalsContact C-N 3.3Å; L609-V611 PolarHBondContact O-N 3.23Å; V611-L613 VanDerWaalsContact C-N 3.34Å; V611-L613 PolarHBondContact O-N 2.92Å; V611-K614 WeakPolarHBondContact O-CB 3.45Å; V611-K614 PolarHBondContact O-N 3.37Å
612	K	86.6	Confident	84.1	Confident	116 Å²	116	69.3 Å²	69.3	50%	0.504	36%	0.357	S	S	.	.	H	α-helix	trans	-70.2	-27.7	177.6	-73.7	-172	172.7	178.9	0	114.3	Y608 L609	Y608-K612 HydrophobicContact CE1-CD 4.08Å; Y608-K612 VanDerWaalsContact CE1-CE 3.48Å; Y608-K612 VanDerWaalsContact CE1-NZ 3.29Å; Y608-K612 VanDerWaalsContact CZ-NZ 3.28Å; Y608-K612 PolarHBondContact O-N 3.2Å; Y608-K612 WeakPolarHBondContact OH-CE 3.49Å; Y608-K612 PolarHBondContact OH-NZ 3.21Å; L609-K612 PolarHBondContact O-N 3.04Å; L609-K612 VanDerWaalsContact O-N 3.09Å
613	L	85.2	Confident	83.4	Confident	24 Å²	24	75.3 Å²	75.3	13%	0.126	39%	0.388	C	S	.	.	H	α-helix	trans	-89.2	-12.1	179.7	-67.5	179	0	0	0	113.1	L609 L610 V611 D615 K616 F618 V677 L681	L609-L613 HydrophobicContact CD1-CD1 3.84Å; L609-L613 HydrophobicContact CD1-CG 3.98Å; L609-L613 HydrophobicContact CD2-CD1 4.26Å; L609-L613 HydrophobicContact CG-CD1 3.71Å; L609-L613 HydrophobicContact CG-CG 4.22Å; L609-L613 WeakPolarHBondContact O-CG 3.33Å; L609-L613 PolarHBondContact O-N 2.84Å; L610-L613 PolarHBondContact O-N 3.36Å; V611-L613 VanDerWaalsContact C-N 3.34Å; V611-L613 PolarHBondContact O-N 2.92Å; L613-D615 VanDerWaalsContact C-N 3.25Å; L613-D615 PolarHBondContact O-N 2.96Å; L613-D615 VanDerWaalsContact O-N 3.12Å; L613-K616 PolarHBondContact O-N 2.86Å; L613-F618 HydrophobicContact CD2-CE2 4.2Å; L613-V677 HydrophobicContact CD1-CG1 4Å; L613-L681 HydrophobicContact CB-CD2 4.43Å; L613-L681 HydrophobicContact CD1-CD2 4.21Å; L613-L681 HydrophobicContact CD2-CD2 4.36Å
614	K	80.5	Confident	82.8	Confident	100 Å²	100	78.1 Å²	78.1	44%	0.435	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-41.8	-171.9	-170.1	-172.3	172.8	-147.6	0	113.7	L610 V611	L610-K614 PolarHBondContact O-N 3.25Å; V611-K614 WeakPolarHBondContact O-CB 3.45Å; V611-K614 PolarHBondContact O-N 3.37Å
615	D	75.3	Confident	82.3	Confident	140 Å²	140	78.9 Å²	78.9	75%	0.749	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	6.3	-176	-54.3	-42.3	0	0	0	113.2	L613	L613-D615 VanDerWaalsContact C-N 3.25Å; L613-D615 PolarHBondContact O-N 2.96Å; L613-D615 VanDerWaalsContact O-N 3.12Å
616	K	76.3	Confident	81.8	Confident	127 Å²	127	81.1 Å²	81.1	55%	0.552	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-102.5	119.8	-178.7	-66	-168.7	178.3	-170	0	111.1	L613 F618	L613-K616 PolarHBondContact O-N 2.86Å; K616-F618 HydrophobicContact CB-CD2 4.4Å; K616-F618 HydrophobicContact CB-CE2 3.99Å; K616-F618 HydrophobicContact CD-CE2 4.32Å
617	T	69.7	Low	81.6	Confident	129 Å²	129	87.4 Å²	87.4	79%	0.791	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-97.7	122.6	168.7	55.4	0	0	0	0	109.9
618	F	71.1	Confident	81.4	Confident	114 Å²	114	90.7 Å²	90.7	50%	0.5	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-100	125	172.2	-77.9	-95.1	0	0	0	109.4	L613 K616 L681	L613-F618 HydrophobicContact CD2-CE2 4.2Å; K616-F618 HydrophobicContact CB-CD2 4.4Å; K616-F618 HydrophobicContact CB-CE2 3.99Å; K616-F618 HydrophobicContact CD-CE2 4.32Å; F618-L681 HydrophobicContact CD2-CD2 3.84Å; F618-L681 HydrophobicContact CE2-CD2 4.42Å
619	Q	69.4	Low	81.4	Confident	197 Å²	197	91.6 Å²	91.6	92%	0.921	48%	0.475	S	S	*	.			trans	-94.5	114.5	167.2	-62	-160.5	8.2	0	0	107.8
620	M	71.2	Confident	81.4	Confident	75 Å²	75	90.3 Å²	90.3	37%	0.369	47%	0.472	S	S	.	.			trans	-127.2	142	178.7	-172.3	161.3	71.4	0	0	108.8	P624 K625 I628 F682	M620-P624 HydrophobicContact CE-CB 4.29Å; M620-P624 HydrophobicContact CG-CB 4.02Å; M620-P624 HydrophobicContact CG-CG 4.4Å; M620-P624 HydrophobicContact SD-CB 3.89Å; M620-K625 HydrophobicContact CE-CB 4.23Å; M620-I628 HydrophobicContact CE-CD1 3.56Å; M620-I628 HydrophobicContact SD-CD1 4.34Å; M620-F682 HydrophobicContact CB-CE1 4.46Å; M620-F682 HydrophobicContact CE-CZ 3.83Å
621	N	76.6	Confident	81.6	Confident	131 Å²	131	92.3 Å²	92.3	70%	0.701	49%	0.487	S	S	*	.			trans	-58.9	152.7	177.4	-67	-5	0	0	0	111.1	L623 P624 K625	N621-L623 PolarHBondContact O-N 3.44Å; N621-P624 WeakPolarHBondContact O-CD 3.49Å; N621-K625 WeakPolarHBondContact O-CB 3.35Å; N621-K625 PolarHBondContact O-N 3.49Å
622	A	76.4	Confident	81.9	Confident	80 Å²	80	91.3 Å²	91.3	66%	0.661	48%	0.48	S	S	*	.	H	α-helix	trans	-60.8	-28.9	-177	0	0	0	0	0	113.9	K625 S626	A622-K625 WeakPolarHBondContact O-CB 2.98Å; A622-K625 PolarHBondContact O-N 2.87Å; A622-S626 PolarHBondContact O-N 2.95Å
623	L	79	Confident	82.2	Confident	148 Å²	148	89.4 Å²	89.4	78%	0.775	48%	0.478	S	S	*	.	H	α-helix	trans	-69.3	-59.3	-177.7	-76	173	0	0	0	113.4	N621 K625 S626 F627	N621-L623 PolarHBondContact O-N 3.44Å; L623-K625 PolarHBondContact O-N 3.33Å; L623-K625 VanDerWaalsContact O-N 3.16Å; L623-S626 PolarHBondContact O-N 3.42Å; L623-S626 VanDerWaalsContact O-N 3.17Å; L623-F627 PolarHBondContact O-N 2.73Å
624	P	84.7	Confident	82.7	Confident	59 Å²	59	93 Å²	93	38%	0.383	50%	0.5	S	S	.	.	H	α-helix	trans	-55.8	-32.7	172.3	-24.2	30.8	0	0	0	112.4	M620 N621 F627 I628	M620-P624 HydrophobicContact CE-CB 4.29Å; M620-P624 HydrophobicContact CG-CB 4.02Å; M620-P624 HydrophobicContact CG-CG 4.4Å; M620-P624 HydrophobicContact SD-CB 3.89Å; N621-P624 WeakPolarHBondContact O-CD 3.49Å; P624-F627 PolarHBondContact O-N 2.73Å; P624-I628 WeakPolarHBondContact O-CG1 3.09Å; P624-I628 PolarHBondContact O-N 2.98Å
625	K	83.5	Confident	83.5	Confident	17 Å²	17	91 Å²	91	7%	0.074	50%	0.496	C	S	.	.	H	α-helix	trans	-60.2	-59.3	176	-170.8	-173.5	178.2	-172.6	0	110.1	M620 N621 A622 L623 F627 I628 F629 W678 F682 C685	M620-K625 HydrophobicContact CE-CB 4.23Å; N621-K625 WeakPolarHBondContact O-CB 3.35Å; N621-K625 PolarHBondContact O-N 3.49Å; A622-K625 WeakPolarHBondContact O-CB 2.98Å; A622-K625 PolarHBondContact O-N 2.87Å; L623-K625 PolarHBondContact O-N 3.33Å; L623-K625 VanDerWaalsContact O-N 3.16Å; K625-F627 PolarHBondContact O-N 3.05Å; K625-I628 PolarHBondContact O-N 3.3Å; K625-F629 PolarHBondContact O-N 3.33Å; K625-F629 VanDerWaalsContact O-N 3.16Å; K625-W678 VanDerWaalsContact C-CH2 3.46Å; K625-W678 HydrophobicContact CB-CH2 3.87Å; K625-W678 HydrophobicContact CB-CZ2 4.45Å; K625-W678 HydrophobicContact CD-CH2 4.29Å; K625-W678 HydrophobicContact CD-CZ2 4.13Å; K625-W678 HydrophobicContact CG-CH2 3.09Å; K625-W678 HydrophobicContact CG-CZ2 3.31Å; K625-W678 HydrophobicContact CG-CZ3 4.21Å; K625-W678 WeakPolarHBondContact O-CH2 3.45Å; K625-F682 HydrophobicContact CD-CD1 4.49Å; K625-C685 PolarHBondContact NZ-SG 3.44Å
626	S	84.9	Confident	84.4	Confident	77 Å²	77	86.3 Å²	86.3	54%	0.538	47%	0.471	S	S	.	.	H	α-helix	trans	-55	-39.7	178.6	-167.5	0	0	0	0	112.7	A622 L623 F629 S630	A622-S626 PolarHBondContact O-N 2.95Å; L623-S626 PolarHBondContact O-N 3.42Å; L623-S626 VanDerWaalsContact O-N 3.17Å; S626-F629 PolarHBondContact O-N 3.18Å; S626-S630 WeakPolarHBondContact O-CB 3.36Å; S626-S630 PolarHBondContact O-N 3.29Å; S626-S630 PolarHBondContact O-OG 2.94Å
627	F	89.7	Confident	85.3	Confident	142 Å²	142	82.1 Å²	82.1	62%	0.623	46%	0.46	S	S	*	.	H	α-helix	trans	-64.8	-42.7	179.4	-175.6	-97.5	0	0	0	114.2	L623 P624 K625 F629 S630 S631	L623-F627 PolarHBondContact O-N 2.73Å; P624-F627 PolarHBondContact O-N 2.73Å; K625-F627 PolarHBondContact O-N 3.05Å; F627-F629 VanDerWaalsContact C-N 3.34Å; F627-S630 PolarHBondContact O-N 3.31Å; F627-S630 PolarHBondContact O-OG 3.13Å; F627-S631 WeakPolarHBondContact O-CB 3.38Å; F627-S631 PolarHBondContact O-N 3.3Å; F627-S631 PolarHBondContact O-OG 2.76Å
628	I	89	Confident	86.5	Confident	70 Å²	70	78.9 Å²	78.9	36%	0.359	45%	0.446	S	S	.	.	H	α-helix	trans	-65.1	-43.1	176.8	-68.9	165	0	0	0	110	M620 P624 K625 S631 I632 W678	M620-I628 HydrophobicContact CE-CD1 3.56Å; M620-I628 HydrophobicContact SD-CD1 4.34Å; P624-I628 WeakPolarHBondContact O-CG1 3.09Å; P624-I628 PolarHBondContact O-N 2.98Å; K625-I628 PolarHBondContact O-N 3.3Å; I628-S631 WeakPolarHBondContact O-CB 3.36Å; I628-S631 PolarHBondContact O-N 2.9Å; I628-I632 HydrophobicContact CG2-CD1 4.23Å; I628-I632 WeakPolarHBondContact O-CG1 3.37Å; I628-I632 PolarHBondContact O-N 3.47Å; I628-W678 HydrophobicContact CB-CE3 4.39Å; I628-W678 HydrophobicContact CB-CH2 4.3Å; I628-W678 HydrophobicContact CB-CZ3 3.65Å; I628-W678 HydrophobicContact CD1-CZ3 4.39Å; I628-W678 HydrophobicContact CG2-CE3 3.78Å; I628-W678 HydrophobicContact CG2-CZ3 3.53Å
629	F	90.2	Very high	87.6	Confident	60 Å²	60	73.9 Å²	73.9	26%	0.263	43%	0.425	S	S	.	.	H	α-helix	trans	-65	-44	178.4	-175.5	-98.6	0	0	0	112.1	K625 S626 F627 S631 I632 V633 L675 W678 V692	K625-F629 PolarHBondContact O-N 3.33Å; K625-F629 VanDerWaalsContact O-N 3.16Å; S626-F629 PolarHBondContact O-N 3.18Å; F627-F629 VanDerWaalsContact C-N 3.34Å; F629-S631 VanDerWaalsContact C-N 3.29Å; F629-S631 PolarHBondContact O-N 3.06Å; F629-I632 WeakPolarHBondContact O-CB 3.34Å; F629-I632 PolarHBondContact O-N 2.8Å; F629-V633 HydrophobicContact CD1-CG2 4.32Å; F629-V633 HydrophobicContact CE1-CG2 3.82Å; F629-V633 HydrophobicContact CZ-CG2 3.98Å; F629-V633 WeakPolarHBondContact O-CG2 3.36Å; F629-V633 PolarHBondContact O-N 3.44Å; F629-V633 VanDerWaalsContact O-N 3.12Å; F629-L675 HydrophobicContact CE2-CD1 4.08Å; F629-W678 HydrophobicContact CB-CH2 4.15Å; F629-W678 HydrophobicContact CB-CZ2 3.76Å; F629-W678 AromaticContact CD2-NE1 3.74Å; F629-W678 HydrophobicContact CG-CZ2 4.48Å; F629-V692 HydrophobicContact CE2-CG2 4.46Å; F629-V692 HydrophobicContact CZ-CG2 3.89Å
630	S	91.7	Very high	88.8	Confident	49 Å²	49	64.8 Å²	64.8	34%	0.343	38%	0.383	S	S	.	.	H	α-helix	trans	-63.1	-37.8	176.2	69.8	0	0	0	0	111.5	S626 F627 I632 V633 V634	S626-S630 WeakPolarHBondContact O-CB 3.36Å; S626-S630 PolarHBondContact O-N 3.29Å; S626-S630 PolarHBondContact O-OG 2.94Å; F627-S630 PolarHBondContact O-N 3.31Å; F627-S630 PolarHBondContact O-OG 3.13Å; S630-I632 VanDerWaalsContact C-N 3.34Å; S630-I632 PolarHBondContact O-N 3.46Å; S630-V633 PolarHBondContact O-N 3.42Å; S630-V634 WeakPolarHBondContact O-CB 3.12Å; S630-V634 VanDerWaalsContact O-CG2 3.27Å; S630-V634 WeakPolarHBondContact O-CG2 3.38Å; S630-V634 PolarHBondContact O-N 3.19Å
631	S	94.1	Very high	89.9	Confident	44 Å²	44	64.3 Å²	64.3	31%	0.308	38%	0.379	S	S	.	.	H	α-helix	trans	-61.5	-41.5	175.4	-59.9	0	0	0	0	111.9	F627 I628 F629 V633 V634 V635	F627-S631 WeakPolarHBondContact O-CB 3.38Å; F627-S631 PolarHBondContact O-N 3.3Å; F627-S631 PolarHBondContact O-OG 2.76Å; I628-S631 WeakPolarHBondContact O-CB 3.36Å; I628-S631 PolarHBondContact O-N 2.9Å; F629-S631 VanDerWaalsContact C-N 3.29Å; F629-S631 PolarHBondContact O-N 3.06Å; S631-V633 PolarHBondContact O-N 3.47Å; S631-V634 PolarHBondContact O-N 3.29Å; S631-V635 WeakPolarHBondContact O-CB 3.49Å; S631-V635 VanDerWaalsContact O-CG2 3.26Å; S631-V635 WeakPolarHBondContact O-CG2 3.4Å; S631-V635 PolarHBondContact O-N 2.98Å
632	I	94.3	Very high	90.6	Very high	19 Å²	19	59.8 Å²	59.8	10%	0.097	36%	0.364	C	S	.	.	H	α-helix	trans	-59.9	-47.4	174.9	-67.1	165.3	0	0	0	110.4	I628 F629 S630 N636 A674 L675	I628-I632 HydrophobicContact CG2-CD1 4.23Å; I628-I632 WeakPolarHBondContact O-CG1 3.37Å; I628-I632 PolarHBondContact O-N 3.47Å; F629-I632 WeakPolarHBondContact O-CB 3.34Å; F629-I632 PolarHBondContact O-N 2.8Å; S630-I632 VanDerWaalsContact C-N 3.34Å; S630-I632 PolarHBondContact O-N 3.46Å; I632-N636 VanDerWaalsContact O-CB 3.28Å; I632-N636 WeakPolarHBondContact O-CB 3.43Å; I632-N636 PolarHBondContact O-N 3.41Å; I632-A674 HydrophobicContact CD1-CB 3.8Å; I632-A674 HydrophobicContact CG1-CB 3.96Å; I632-L675 HydrophobicContact CG2-CB 4.47Å
633	V	93.7	Very high	91.3	Very high	76 Å²	76	56 Å²	56	46%	0.461	33%	0.332	S	S	.	.	H	α-helix	trans	-64.4	-44.9	-179.7	175.1	0	0	0	0	111.4	F629 S630 S631 N636 A637	F629-V633 HydrophobicContact CD1-CG2 4.32Å; F629-V633 HydrophobicContact CE1-CG2 3.82Å; F629-V633 HydrophobicContact CZ-CG2 3.98Å; F629-V633 WeakPolarHBondContact O-CG2 3.36Å; F629-V633 PolarHBondContact O-N 3.44Å; F629-V633 VanDerWaalsContact O-N 3.12Å; S630-V633 PolarHBondContact O-N 3.42Å; S631-V633 PolarHBondContact O-N 3.47Å; V633-N636 PolarHBondContact O-N 3.27Å; V633-A637 VanDerWaalsContact O-CB 3.28Å; V633-A637 WeakPolarHBondContact O-CB 3.29Å; V633-A637 PolarHBondContact O-N 3.11Å
634	V	96.2	Very high	91.9	Very high	98 Å²	98	52.3 Å²	52.3	59%	0.594	31%	0.308	S	S	*	.	H	α-helix	trans	-65	-45.1	-179.2	170.4	0	0	0	0	111.3	S630 S631 A637 A638	S630-V634 WeakPolarHBondContact O-CB 3.12Å; S630-V634 VanDerWaalsContact O-CG2 3.27Å; S630-V634 WeakPolarHBondContact O-CG2 3.38Å; S630-V634 PolarHBondContact O-N 3.19Å; S631-V634 PolarHBondContact O-N 3.29Å; V634-A637 PolarHBondContact O-N 3.2Å; V634-A638 WeakPolarHBondContact O-CB 3.28Å; V634-A638 PolarHBondContact O-N 2.85Å
635	V	96.4	Very high	92.2	Very high	60 Å²	60	53.1 Å²	53.1	36%	0.364	31%	0.309	S	S	.	.	H	α-helix	trans	-65.1	-43.7	177.8	175.7	0	0	0	0	110.3	S631 A637 A638 T639 T667 T671	S631-V635 WeakPolarHBondContact O-CB 3.49Å; S631-V635 VanDerWaalsContact O-CG2 3.26Å; S631-V635 WeakPolarHBondContact O-CG2 3.4Å; S631-V635 PolarHBondContact O-N 2.98Å; V635-A637 PolarHBondContact O-N 2.93Å; V635-A638 PolarHBondContact O-N 3.08Å; V635-T639 WeakPolarHBondContact O-CG2 3.18Å; V635-T639 PolarHBondContact O-N 3.38Å; V635-T667 HydrophobicContact CG1-CG2 4.49Å; V635-T671 HydrophobicContact CB-CG2 3.75Å; V635-T671 HydrophobicContact CG1-CG2 3.5Å
636	N	94.6	Very high	92.5	Very high	41 Å²	41	52.4 Å²	52.4	22%	0.219	31%	0.306	C	S	.	.	H	α-helix	trans	-63.6	-42.6	178	-165.5	-88.7	0	0	0	111.7	I632 V633 A638 T639 V640 W668 T671	I632-N636 VanDerWaalsContact O-CB 3.28Å; I632-N636 WeakPolarHBondContact O-CB 3.43Å; I632-N636 PolarHBondContact O-N 3.41Å; V633-N636 PolarHBondContact O-N 3.27Å; N636-A638 PolarHBondContact O-N 2.91Å; N636-T639 WeakPolarHBondContact CA-OG1 3.43Å; N636-T639 PolarHBondContact O-N 3.18Å; N636-T639 PolarHBondContact O-OG1 3.07Å; N636-V640 PolarHBondContact O-N 3.39Å; N636-V640 VanDerWaalsContact O-N 3.1Å; N636-W668 VanDerWaalsContact ND2-CE3 3.25Å; N636-W668 VanDerWaalsContact ND2-CZ3 3.28Å; N636-W668 WeakPolarHBondContact ND2-CZ3 3.49Å; N636-W668 WeakPolarHBondContact OD1-CZ3 3.27Å; N636-T671 HydrophobicContact CB-CG2 4.45Å; N636-T671 PolarHBondContact ND2-OG1 3.11Å; N636-T671 VanDerWaalsContact ND2-OG1 3.1Å
637	A	95.1	Very high	92.6	Very high	38 Å²	38	48.7 Å²	48.7	31%	0.314	28%	0.28	S	S	.	.	H	α-helix	trans	-61.1	-43.3	173.2	0	0	0	0	0	111.9	V633 V634 V635 T639 V640 F641	V633-A637 VanDerWaalsContact O-CB 3.28Å; V633-A637 WeakPolarHBondContact O-CB 3.29Å; V633-A637 PolarHBondContact O-N 3.11Å; V634-A637 PolarHBondContact O-N 3.2Å; V635-A637 PolarHBondContact O-N 2.93Å; A637-T639 VanDerWaalsContact C-N 3.28Å; A637-T639 PolarHBondContact O-N 3.12Å; A637-V640 PolarHBondContact O-N 2.8Å; A637-F641 HydrophobicContact CB-CD2 4.32Å; A637-F641 WeakPolarHBondContact O-CB 3.48Å; A637-F641 VanDerWaalsContact O-CD2 3.29Å; A637-F641 WeakPolarHBondContact O-CD2 3.08Å; A637-F641 PolarHBondContact O-N 2.99Å
638	A	95.1	Very high	92.5	Very high	61 Å²	61	46.2 Å²	46.2	50%	0.504	27%	0.274	S	S	.	.	H	α-helix	trans	-62	-35	175.9	0	0	0	0	0	112.2	V634 V635 N636 G642	V634-A638 WeakPolarHBondContact O-CB 3.28Å; V634-A638 PolarHBondContact O-N 2.85Å; V635-A638 PolarHBondContact O-N 3.08Å; N636-A638 PolarHBondContact O-N 2.91Å; A638-G642 WeakPolarHBondContact O-CA 3.41Å; A638-G642 PolarHBondContact O-N 3.01Å
639	T	94.7	Very high	92.2	Very high	10 Å²	10	43.9 Å²	43.9	6%	0.061	27%	0.267	C	S	.	.	H	α-helix	trans	-67.4	-41.3	175.3	57.9	0	0	0	0	112.8	V635 N636 A637 Y660 T667	V635-T639 WeakPolarHBondContact O-CG2 3.18Å; V635-T639 PolarHBondContact O-N 3.38Å; N636-T639 WeakPolarHBondContact CA-OG1 3.43Å; N636-T639 PolarHBondContact O-N 3.18Å; N636-T639 PolarHBondContact O-OG1 3.07Å; A637-T639 VanDerWaalsContact C-N 3.28Å; A637-T639 PolarHBondContact O-N 3.12Å; T639-Y660 PolarHBondContact O-OH 2.93Å; T639-T667 VanDerWaalsContact CG2-CB 3.49Å; T639-T667 HydrophobicContact CG2-CG2 4.45Å; T639-T667 WeakPolarHBondContact CG2-OG1 3.05Å
640	V	93.9	Very high	92	Very high	6 Å²	6	47.8 Å²	47.8	4%	0.036	28%	0.28	C	S	.	.	H	α-helix	trans	-75.2	-46.1	-178.7	170.7	0	0	0	0	111.8	L425 S428 L431 N636 A637 W668	L425-V640 HydrophobicContact CD1-CG1 4.4Å; S428-V640 PolarHBondContact OG-O 3.33Å; L431-V640 HydrophobicContact CD1-CG2 4.45Å; N636-V640 PolarHBondContact O-N 3.39Å; N636-V640 VanDerWaalsContact O-N 3.1Å; A637-V640 PolarHBondContact O-N 2.8Å; V640-W668 HydrophobicContact CG2-CE3 4.35Å; V640-W668 HydrophobicContact CG2-CH2 4.49Å; V640-W668 HydrophobicContact CG2-CZ3 3.62Å
641	F	94	Very high	91.6	Very high	65 Å²	65	51 Å²	51	29%	0.285	30%	0.298	S	S	.	.	H	α-helix	trans	-90.2	-10	-175.7	-65.8	-73.8	0	0	0	113.5	F421 Q424 A637 V643 Y644	F421-F641 HydrophobicContact CD1-CD1 4.35Å; F421-F641 HydrophobicContact CD1-CE1 4.17Å; F421-F641 HydrophobicContact CD2-CD1 4.11Å; F421-F641 AromaticContact CE1-CD1 3.84Å; F421-F641 HydrophobicContact CE1-CD1 3.84Å; F421-F641 AromaticContact CE1-CE1 3.7Å; F421-F641 HydrophobicContact CE1-CE1 3.7Å; F421-F641 HydrophobicContact CE1-CZ 4.26Å; F421-F641 HydrophobicContact CE2-CB 4.04Å; F421-F641 AromaticContact CE2-CD1 3.56Å; F421-F641 HydrophobicContact CE2-CD1 3.56Å; F421-F641 HydrophobicContact CE2-CE1 4.28Å; F421-F641 AromaticContact CE2-CG 3.95Å; F421-F641 HydrophobicContact CE2-CG 3.95Å; F421-F641 HydrophobicContact CG-CD1 4.48Å; F421-F641 HydrophobicContact CZ-CB 4.25Å; F421-F641 AromaticContact CZ-CD1 3.41Å; F421-F641 HydrophobicContact CZ-CD1 3.41Å; F421-F641 VanDerWaalsContact CZ-CD1 3.41Å; F421-F641 HydrophobicContact CZ-CD2 4.33Å; F421-F641 AromaticContact CZ-CE1 3.76Å; F421-F641 HydrophobicContact CZ-CE1 3.76Å; F421-F641 AromaticContact CZ-CG 3.74Å; F421-F641 HydrophobicContact CZ-CG 3.74Å; F421-F641 HydrophobicContact CZ-CZ 4.37Å; F421-F641 WeakPolarHBondContact O-CE1 3.49Å; Q424-F641 HydrophobicContact CB-CD1 3.83Å; Q424-F641 HydrophobicContact CB-CE1 4.24Å; Q424-F641 HydrophobicContact CG-CD1 4.46Å; A637-F641 HydrophobicContact CB-CD2 4.32Å; A637-F641 WeakPolarHBondContact O-CB 3.48Å; A637-F641 VanDerWaalsContact O-CD2 3.29Å; A637-F641 WeakPolarHBondContact O-CD2 3.08Å; A637-F641 PolarHBondContact O-N 2.99Å; F641-V643 PolarHBondContact O-N 3.08Å; F641-V643 VanDerWaalsContact O-N 3.1Å; F641-Y644 WeakPolarHBondContact O-CB 3.13Å; F641-Y644 PolarHBondContact O-N 3.3Å
642	G	91.3	Very high	91.4	Very high	36 Å²	36	50.6 Å²	50.6	37%	0.371	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-18.5	-179.4	0	0	0	0	0	114.5	A638 Y644 W652	A638-G642 WeakPolarHBondContact O-CA 3.41Å; A638-G642 PolarHBondContact O-N 3.01Å; G642-Y644 VanDerWaalsContact C-N 3.35Å; G642-W652 WeakPolarHBondContact O-CH2 3.5Å; G642-W652 WeakPolarHBondContact O-CZ2 3.29Å
643	V	90.9	Very high	91.3	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-4	177.7	-159.8	0	0	0	0	113	P568 L571 F641 D645 Y646 A647 Y660	P568-V643 HydrophobicContact CG-CG1 4.43Å; L571-V643 HydrophobicContact CD1-CG1 3.9Å; L571-V643 HydrophobicContact CD2-CB 3.95Å; L571-V643 HydrophobicContact CD2-CG1 3.58Å; L571-V643 HydrophobicContact CD2-CG2 4.02Å; L571-V643 HydrophobicContact CG-CG1 4.4Å; F641-V643 PolarHBondContact O-N 3.08Å; F641-V643 VanDerWaalsContact O-N 3.1Å; V643-D645 VanDerWaalsContact C-N 3.32Å; V643-D645 PolarHBondContact O-N 2.99Å; V643-Y646 HydrophobicContact CG1-CD1 3.95Å; V643-Y646 HydrophobicContact CG1-CG 4.35Å; V643-Y646 WeakPolarHBondContact O-CB 3.28Å; V643-Y646 PolarHBondContact O-N 3.38Å; V643-A647 PolarHBondContact O-N 3.11Å; V643-Y660 HydrophobicContact CG2-CD1 4.1Å; V643-Y660 HydrophobicContact CG2-CD2 4.12Å; V643-Y660 HydrophobicContact CG2-CE1 3.35Å; V643-Y660 HydrophobicContact CG2-CE2 3.39Å; V643-Y660 HydrophobicContact CG2-CG 4.44Å; V643-Y660 WeakPolarHBondContact CG2-OH 3.1Å
644	Y	92	Very high	91.3	Very high	71 Å²	71	52.7 Å²	52.7	28%	0.278	30%	0.302	S	S	.	.	H	α-helix	trans	-49.8	-49.6	-175.1	172.5	-111	0	0	0	113.3	G419 F421 Q424 F641 G642 Y646 A647 N648	G419-Y644 WeakPolarHBondContact O-CE2 3.46Å; F421-Y644 HydrophobicContact CB-CD2 4.11Å; F421-Y644 HydrophobicContact CB-CE2 3.79Å; F421-Y644 HydrophobicContact CD2-CD1 4.5Å; F421-Y644 AromaticContact CD2-CD2 3.99Å; F421-Y644 HydrophobicContact CD2-CD2 3.99Å; F421-Y644 HydrophobicContact CD2-CE2 4.28Å; F421-Y644 HydrophobicContact CD2-CG 4.08Å; Q424-Y644 HydrophobicContact CG-CD2 3.93Å; Q424-Y644 HydrophobicContact CG-CG 4.45Å; F641-Y644 WeakPolarHBondContact O-CB 3.13Å; F641-Y644 PolarHBondContact O-N 3.3Å; G642-Y644 VanDerWaalsContact C-N 3.35Å; Y644-Y646 VanDerWaalsContact C-N 3.32Å; Y644-Y646 PolarHBondContact O-N 2.74Å; Y644-A647 PolarHBondContact O-N 3.21Å; Y644-N648 WeakPolarHBondContact O-CB 3.07Å; Y644-N648 PolarHBondContact O-N 3.46Å
645	D	90.3	Very high	91.1	Very high	75 Å²	75	52.1 Å²	52.1	40%	0.401	30%	0.299	S	S	.	.	H	α-helix	trans	-63	-38.8	-178	-72.1	-6.2	0	0	0	112.1	V643 R650	V643-D645 VanDerWaalsContact C-N 3.32Å; V643-D645 PolarHBondContact O-N 2.99Å; D645-R650 HydrophobicContact CB-CB 4.47Å; D645-R650 WeakPolarHBondContact O-CB 3.34Å; D645-R650 PolarHBondContact O-N 2.69Å
646	Y	89.5	Confident	91	Very high	2 Å²	2	53 Å²	53	1%	0.008	30%	0.299	C	S	.	.	H	α-helix	trans	-67.3	-43.6	175.8	-178.2	-100.9	0	0	0	111.7	P567 P568 L571 T573 E578 V643 Y644 N648 G649 W652	P567-Y646 WeakPolarHBondContact CB-OH 3.48Å; P568-Y646 VanDerWaalsContact CD-CZ 3.41Å; P568-Y646 HydrophobicContact CG-CD1 3.75Å; P568-Y646 HydrophobicContact CG-CD2 4.33Å; P568-Y646 HydrophobicContact CG-CE1 3.72Å; P568-Y646 HydrophobicContact CG-CE2 4.31Å; P568-Y646 HydrophobicContact CG-CG 4.06Å; L571-Y646 HydrophobicContact CD1-CD1 4.17Å; L571-Y646 HydrophobicContact CD1-CE1 4.12Å; T573-Y646 HydrophobicContact CG2-CE1 4.42Å; T573-Y646 PolarHBondContact OG1-O 2.97Å; E578-Y646 WeakPolarHBondContact CG-OH 3.49Å; E578-Y646 PolarHBondContact OE2-OH 2.87Å; V643-Y646 HydrophobicContact CG1-CD1 3.95Å; V643-Y646 HydrophobicContact CG1-CG 4.35Å; V643-Y646 WeakPolarHBondContact O-CB 3.28Å; V643-Y646 PolarHBondContact O-N 3.38Å; Y644-Y646 VanDerWaalsContact C-N 3.32Å; Y644-Y646 PolarHBondContact O-N 2.74Å; Y646-N648 VanDerWaalsContact C-N 3.3Å; Y646-N648 PolarHBondContact O-N 3.45Å; Y646-G649 PolarHBondContact O-N 3.33Å; Y646-G649 VanDerWaalsContact O-N 3.11Å; Y646-W652 VanDerWaalsContact CB-CE2 3.47Å; Y646-W652 HydrophobicContact CD2-CB 3.96Å; Y646-W652 AromaticContact CD2-CD1 3.96Å; Y646-W652 AromaticContact CD2-CD2 3.94Å; Y646-W652 HydrophobicContact CD2-CD2 3.94Å; Y646-W652 HydrophobicContact CD2-CE3 4.42Å; Y646-W652 AromaticContact CD2-CG 3.69Å; Y646-W652 HydrophobicContact CD2-CG 3.69Å; Y646-W652 HydrophobicContact CE2-CB 4.46Å; Y646-W652 HydrophobicContact CG-CD2 4.24Å; Y646-W652 HydrophobicContact CG-CG 4.38Å
647	A	87.4	Confident	90.9	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-64.2	-36.5	178.7	0	0	0	0	0	111.8	Q424 T574 V643 Y644 G649	Q424-A647 VanDerWaalsContact OE1-CB 3.25Å; T574-A647 PolarHBondContact N-O 2.66Å; T574-A647 PolarHBondContact OG1-O 3.39Å; V643-A647 PolarHBondContact O-N 3.11Å; Y644-A647 PolarHBondContact O-N 3.21Å; A647-G649 PolarHBondContact O-N 3.04Å
648	N	87.6	Confident	90.8	Very high	90 Å²	90	49.6 Å²	49.6	48%	0.481	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	3.9	175.4	-165.7	26.7	0	0	0	113.7	Y644 Y646	Y644-N648 WeakPolarHBondContact O-CB 3.07Å; Y644-N648 PolarHBondContact O-N 3.46Å; Y646-N648 VanDerWaalsContact C-N 3.3Å; Y646-N648 PolarHBondContact O-N 3.45Å
649	G	82.7	Confident	90.7	Very high	21 Å²	21	51.1 Å²	51.1	22%	0.216	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	100.9	1.2	170.3	0	0	0	0	0	115.4	T574 N575 Y646 A647 T651	T574-G649 WeakPolarHBondContact OG1-CA 3.35Å; T574-G649 PolarHBondContact OG1-N 3.17Å; N575-G649 WeakPolarHBondContact ND2-CA 3.19Å; N575-G649 PolarHBondContact ND2-O 2.91Å; Y646-G649 PolarHBondContact O-N 3.33Å; Y646-G649 VanDerWaalsContact O-N 3.11Å; A647-G649 PolarHBondContact O-N 3.04Å; G649-T651 PolarHBondContact O-N 2.93Å
650	R	86.2	Confident	90.7	Very high	142 Å²	142	52 Å²	52	54%	0.536	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-65.3	128.1	172.7	-176	-178.8	168.8	153	-3.7	109.7	D645 W652	D645-R650 HydrophobicContact CB-CB 4.47Å; D645-R650 WeakPolarHBondContact O-CB 3.34Å; D645-R650 PolarHBondContact O-N 2.69Å; R650-W652 PolarHBondContact O-N 3.2Å
651	T	84.5	Confident	90.7	Very high	117 Å²	117	51.8 Å²	51.8	72%	0.718	27%	0.274	S	S	*	.	P	Polyproline II helix	trans	-70.5	121.7	171.2	50.5	0	0	0	0	109.8	G649	G649-T651 PolarHBondContact O-N 2.93Å
652	W	89.3	Confident	90.6	Very high	35 Å²	35	49 Å²	49	13%	0.133	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-91.1	144.1	173.3	-76.9	18.9	0	0	0	109.9	P568 G642 Y646 R650 E656 K657 Y660	P568-W652 HydrophobicContact CB-CZ3 4.34Å; P568-W652 HydrophobicContact CG-CE3 4.41Å; P568-W652 HydrophobicContact CG-CZ3 4.38Å; G642-W652 WeakPolarHBondContact O-CH2 3.5Å; G642-W652 WeakPolarHBondContact O-CZ2 3.29Å; Y646-W652 VanDerWaalsContact CB-CE2 3.47Å; Y646-W652 HydrophobicContact CD2-CB 3.96Å; Y646-W652 AromaticContact CD2-CD1 3.96Å; Y646-W652 AromaticContact CD2-CD2 3.94Å; Y646-W652 HydrophobicContact CD2-CD2 3.94Å; Y646-W652 HydrophobicContact CD2-CE3 4.42Å; Y646-W652 AromaticContact CD2-CG 3.69Å; Y646-W652 HydrophobicContact CD2-CG 3.69Å; Y646-W652 HydrophobicContact CE2-CB 4.46Å; Y646-W652 HydrophobicContact CG-CD2 4.24Å; Y646-W652 HydrophobicContact CG-CG 4.38Å; R650-W652 PolarHBondContact O-N 3.2Å; W652-E656 HydrophobicContact CB-CB 4.07Å; W652-E656 HydrophobicContact CD2-CB 4.24Å; W652-E656 HydrophobicContact CE3-CB 4.05Å; W652-E656 HydrophobicContact CG-CB 4.32Å; W652-K657 HydrophobicContact CB-CG 3.84Å; W652-K657 WeakPolarHBondContact O-CE 3.1Å; W652-Y660 HydrophobicContact CH2-CD2 4.37Å; W652-Y660 HydrophobicContact CH2-CG 4.39Å; W652-Y660 HydrophobicContact CZ3-CD2 4.46Å; W652-Y660 HydrophobicContact CZ3-CG 4.05Å
653	S	92.4	Very high	90.7	Very high	58 Å²	58	51.6 Å²	51.6	41%	0.406	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-62.3	156.7	168.3	65.4	0	0	0	0	111.1	V655 E656 K657	S653-V655 PolarHBondContact O-N 2.75Å; S653-E656 WeakPolarHBondContact CB-OE2 3.23Å; S653-E656 PolarHBondContact N-OE2 2.84Å; S653-E656 PolarHBondContact O-N 3.39Å; S653-E656 VanDerWaalsContact O-N 3.11Å; S653-E656 WeakPolarHBondContact OG-CB 3.39Å; S653-E656 VanDerWaalsContact OG-CD 3.23Å; S653-E656 WeakPolarHBondContact OG-CG 3.45Å; S653-E656 PolarHBondContact OG-N 2.82Å; S653-E656 PolarHBondContact OG-OE2 3.36Å; S653-K657 PolarHBondContact O-N 3.5Å
654	L	92.5	Very high	90.9	Very high	81 Å²	81	51.7 Å²	51.7	42%	0.424	27%	0.268	S	S	.	.	H	α-helix	trans	-53.2	-40.3	178.2	-63.3	169.5	0	0	0	111.8	V562 D565 G658	V562-L654 HydrophobicContact CG1-CB 4.29Å; V562-L654 WeakPolarHBondContact CG2-O 3.25Å; D565-L654 HydrophobicContact CB-CD2 3.53Å; D565-L654 VanDerWaalsContact CG-CD2 3.42Å; D565-L654 VanDerWaalsContact OD1-CD2 3.23Å; D565-L654 WeakPolarHBondContact OD1-CD2 3.3Å; L654-G658 PolarHBondContact O-N 2.75Å; L654-G658 VanDerWaalsContact O-N 3.08Å
655	V	92.9	Very high	90.8	Very high	85 Å²	85	48.6 Å²	48.6	52%	0.515	26%	0.256	S	S	.	.	H	α-helix	trans	-70.1	-41.3	-179.8	-177.5	0	0	0	0	111.5	S653 G658 M659	S653-V655 PolarHBondContact O-N 2.75Å; V655-G658 PolarHBondContact O-N 3.14Å; V655-M659 HydrophobicContact CG1-CG 4.03Å; V655-M659 VanDerWaalsContact O-CB 3.26Å; V655-M659 WeakPolarHBondContact O-CB 3.34Å; V655-M659 WeakPolarHBondContact O-CG 3.28Å; V655-M659 PolarHBondContact O-N 3.42Å
656	E	93.1	Very high	91	Very high	80 Å²	80	46.8 Å²	46.8	37%	0.374	25%	0.246	S	C	.	.	H	α-helix	trans	-60.8	-45.5	175.6	-75.3	164.4	143.7	0	0	111.4	W652 S653 G658 M659 Y660	W652-E656 HydrophobicContact CB-CB 4.07Å; W652-E656 HydrophobicContact CD2-CB 4.24Å; W652-E656 HydrophobicContact CE3-CB 4.05Å; W652-E656 HydrophobicContact CG-CB 4.32Å; S653-E656 WeakPolarHBondContact CB-OE2 3.23Å; S653-E656 PolarHBondContact N-OE2 2.84Å; S653-E656 PolarHBondContact O-N 3.39Å; S653-E656 VanDerWaalsContact O-N 3.11Å; S653-E656 WeakPolarHBondContact OG-CB 3.39Å; S653-E656 VanDerWaalsContact OG-CD 3.23Å; S653-E656 WeakPolarHBondContact OG-CG 3.45Å; S653-E656 PolarHBondContact OG-N 2.82Å; S653-E656 PolarHBondContact OG-OE2 3.36Å; E656-G658 PolarHBondContact O-N 2.82Å; E656-M659 PolarHBondContact O-N 3.49Å; E656-Y660 PolarHBondContact O-N 2.98Å
657	K	92.7	Very high	91.3	Very high	7 Å²	7	48.5 Å²	48.5	3%	0.03	26%	0.257	C	S	.	.	H	α-helix	trans	-57.6	-51.2	176.4	-64.2	-175.3	-169.8	-175.2	0	111.1	V561 D565 Y566 E578 W652 S653 Y660 A661	V561-K657 HydrophobicContact CG1-CB 4.21Å; D565-K657 IonicContact OD1-NZ 3.93Å; D565-K657 PolarHBondContact OD1-NZ 3.1Å; Y566-K657 WeakPolarHBondContact O-CD 3.44Å; E578-K657 IonicContact OE1-NZ 2.84Å; E578-K657 PolarHBondContact OE1-NZ 3.37Å; E578-K657 IonicContact OE2-NZ 3.42Å; E578-K657 PolarHBondContact OE2-NZ 3.49Å; W652-K657 HydrophobicContact CB-CG 3.84Å; W652-K657 WeakPolarHBondContact O-CE 3.1Å; S653-K657 PolarHBondContact O-N 3.5Å; K657-Y660 PolarHBondContact O-N 2.98Å; K657-A661 VanDerWaalsContact O-CB 3.31Å; K657-A661 WeakPolarHBondContact O-CB 3.23Å; K657-A661 PolarHBondContact O-N 3.33Å
658	G	93.5	Very high	91.7	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-66.6	-38.5	-179	0	0	0	0	0	113.9	L558 L654 V655 E656 A661 S662	L558-G658 WeakPolarHBondContact CD1-O 3.47Å; L654-G658 PolarHBondContact O-N 2.75Å; L654-G658 VanDerWaalsContact O-N 3.08Å; V655-G658 PolarHBondContact O-N 3.14Å; E656-G658 PolarHBondContact O-N 2.82Å; G658-A661 PolarHBondContact O-N 3.34Å; G658-S662 WeakPolarHBondContact O-CB 3.43Å; G658-S662 PolarHBondContact O-N 3.12Å; G658-S662 PolarHBondContact O-OG 2.9Å
659	M	94	Very high	92.1	Very high	93 Å²	93	45.1 Å²	45.1	46%	0.458	24%	0.237	S	C	.	.	H	α-helix	trans	-64	-46.2	177.1	-78.7	-67.9	-161.6	0	0	111.1	V655 E656 S662 L663	V655-M659 HydrophobicContact CG1-CG 4.03Å; V655-M659 VanDerWaalsContact O-CB 3.26Å; V655-M659 WeakPolarHBondContact O-CB 3.34Å; V655-M659 WeakPolarHBondContact O-CG 3.28Å; V655-M659 PolarHBondContact O-N 3.42Å; E656-M659 PolarHBondContact O-N 3.49Å; M659-S662 PolarHBondContact O-OG 3.33Å; M659-S662 VanDerWaalsContact O-OG 3.12Å; M659-L663 WeakPolarHBondContact O-CB 3.43Å; M659-L663 VanDerWaalsContact O-CG 3.23Å; M659-L663 WeakPolarHBondContact O-CG 3.21Å; M659-L663 PolarHBondContact O-N 3.48Å
660	Y	94.5	Very high	92.7	Very high	29 Å²	29	48.8 Å²	48.8	11%	0.114	25%	0.251	C	S	.	.	H	α-helix	trans	-64.7	-46.2	175.9	179.6	-83.9	0	0	0	111.6	P568 T639 V643 W652 E656 K657 S662 L663 S664	P568-Y660 HydrophobicContact CB-CD1 3.69Å; P568-Y660 HydrophobicContact CB-CG 4.34Å; T639-Y660 PolarHBondContact O-OH 2.93Å; V643-Y660 HydrophobicContact CG2-CD1 4.1Å; V643-Y660 HydrophobicContact CG2-CD2 4.12Å; V643-Y660 HydrophobicContact CG2-CE1 3.35Å; V643-Y660 HydrophobicContact CG2-CE2 3.39Å; V643-Y660 HydrophobicContact CG2-CG 4.44Å; V643-Y660 WeakPolarHBondContact CG2-OH 3.1Å; W652-Y660 HydrophobicContact CH2-CD2 4.37Å; W652-Y660 HydrophobicContact CH2-CG 4.39Å; W652-Y660 HydrophobicContact CZ3-CD2 4.46Å; W652-Y660 HydrophobicContact CZ3-CG 4.05Å; E656-Y660 PolarHBondContact O-N 2.98Å; K657-Y660 PolarHBondContact O-N 2.98Å; Y660-S662 VanDerWaalsContact C-N 3.27Å; Y660-S662 PolarHBondContact O-N 3.48Å; Y660-L663 PolarHBondContact O-N 3.25Å; Y660-S664 VanDerWaalsContact O-CB 3.23Å; Y660-S664 WeakPolarHBondContact O-CB 3.45Å; Y660-S664 PolarHBondContact O-N 3.09Å; Y660-S664 PolarHBondContact O-OG 3.28Å
661	A	92.5	Very high	93.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-57.8	-39.9	-179.1	0	0	0	0	0	112.4	H557 V561 P568 K657 G658 S664 R665	H557-A661 PolarHBondContact CE1-O 3.15Å; H557-A661 PolarHBondContact ND1-O 3.37Å; V561-A661 HydrophobicContact CB-CB 4.46Å; V561-A661 HydrophobicContact CG1-CB 4.23Å; V561-A661 HydrophobicContact CG2-CB 3.94Å; P568-A661 WeakPolarHBondContact O-CA 3.27Å; P568-A661 VanDerWaalsContact O-CB 3.26Å; P568-A661 WeakPolarHBondContact O-CB 3.41Å; K657-A661 VanDerWaalsContact O-CB 3.31Å; K657-A661 WeakPolarHBondContact O-CB 3.23Å; K657-A661 PolarHBondContact O-N 3.33Å; G658-A661 PolarHBondContact O-N 3.34Å; A661-S664 PolarHBondContact O-OG 3.36Å; A661-R665 VanDerWaalsContact O-CG 3.25Å; A661-R665 WeakPolarHBondContact O-CG 3.47Å
662	S	93.1	Very high	93.7	Very high	8 Å²	8	37.7 Å²	37.7	6%	0.056	20%	0.199	C	C	.	.	H	α-helix	trans	-78.8	-45.3	178.3	56.3	0	0	0	0	112.8	A554 G658 M659 Y660	A554-S662 WeakPolarHBondContact O-CB 3.38Å; G658-S662 WeakPolarHBondContact O-CB 3.43Å; G658-S662 PolarHBondContact O-N 3.12Å; G658-S662 PolarHBondContact O-OG 2.9Å; M659-S662 PolarHBondContact O-OG 3.33Å; M659-S662 VanDerWaalsContact O-OG 3.12Å; Y660-S662 VanDerWaalsContact C-N 3.27Å; Y660-S662 PolarHBondContact O-N 3.48Å
663	L	94.1	Very high	94.1	Very high	89 Å²	89	36.3 Å²	36.3	47%	0.466	20%	0.196	S	C	.	.	H	α-helix	trans	-71.4	-37.1	-176.5	-70.4	173.1	0	0	0	113.2	M659 Y660 R665 L666 T667	M659-L663 WeakPolarHBondContact O-CB 3.43Å; M659-L663 VanDerWaalsContact O-CG 3.23Å; M659-L663 WeakPolarHBondContact O-CG 3.21Å; M659-L663 PolarHBondContact O-N 3.48Å; Y660-L663 PolarHBondContact O-N 3.25Å; L663-R665 VanDerWaalsContact C-N 3.27Å; L663-R665 PolarHBondContact O-N 3.06Å; L663-L666 PolarHBondContact O-N 3.01Å; L663-T667 WeakPolarHBondContact O-CB 3.41Å; L663-T667 WeakPolarHBondContact O-CG2 3.27Å; L663-T667 PolarHBondContact O-N 3.18Å; L663-T667 PolarHBondContact O-OG1 3.45Å
664	S	93.5	Very high	94.2	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.014	19%	0.192	C	C	.	.	H	α-helix	trans	-58.4	-39.8	177.8	57.2	0	0	0	0	111.9	Y660 A661 L666 T667 W668	Y660-S664 VanDerWaalsContact O-CB 3.23Å; Y660-S664 WeakPolarHBondContact O-CB 3.45Å; Y660-S664 PolarHBondContact O-N 3.09Å; Y660-S664 PolarHBondContact O-OG 3.28Å; A661-S664 PolarHBondContact O-OG 3.36Å; S664-L666 PolarHBondContact O-N 3.33Å; S664-T667 WeakPolarHBondContact CA-OG1 3.45Å; S664-T667 PolarHBondContact O-OG1 3.44Å; S664-W668 VanDerWaalsContact O-CB 3.29Å; S664-W668 WeakPolarHBondContact O-CB 3.45Å; S664-W668 PolarHBondContact O-N 3.41Å
665	R	91.3	Very high	94.2	Very high	6 Å²	6	33.1 Å²	33.1	2%	0.023	18%	0.18	C	C	.	.	H	α-helix	trans	-70.1	-12	176.5	-57.3	-63.1	177.3	-162.9	-1.7	114.3	D434 A661 L663 P669	D434-R665 IonicContact OD1-NH1 3.81Å; D434-R665 VanDerWaalsContact OD2-CD 3.23Å; D434-R665 WeakPolarHBondContact OD2-CD 3.35Å; D434-R665 IonicContact OD2-CZ 2.77Å; D434-R665 IonicContact OD2-NE 3.94Å; D434-R665 IonicContact OD2-NH1 4Å; D434-R665 PolarHBondContact OD2-NH1 2.02Å; A661-R665 VanDerWaalsContact O-CG 3.25Å; A661-R665 WeakPolarHBondContact O-CG 3.47Å; L663-R665 VanDerWaalsContact C-N 3.27Å; L663-R665 PolarHBondContact O-N 3.06Å; R665-P669 WeakPolarHBondContact O-CD 3.46Å; R665-P669 WeakPolarHBondContact O-CG 3.36Å
666	L	94	Very high	94.2	Very high	38 Å²	38	29.1 Å²	29.1	20%	0.199	16%	0.156	C	C	.	.	H	α-helix	trans	-100.1	-51.7	172.6	-64.6	176.1	0	0	0	111.2	A554 C598 I602 L663 S664 W668 P669 L670	A554-L666 HydrophobicContact CB-CD1 3.89Å; A554-L666 HydrophobicContact CB-CD2 4.34Å; A554-L666 HydrophobicContact CB-CG 4.3Å; C598-L666 HydrophobicContact CB-CD2 4.21Å; I602-L666 HydrophobicContact CD1-CD2 4.2Å; L663-L666 PolarHBondContact O-N 3.01Å; S664-L666 PolarHBondContact O-N 3.33Å; L666-W668 PolarHBondContact O-N 3.33Å; L666-P669 VanDerWaalsContact O-CD 3.31Å; L666-P669 WeakPolarHBondContact O-CD 3.18Å; L666-P669 WeakPolarHBondContact O-CG 3.43Å; L666-L670 HydrophobicContact CB-CD1 4.47Å; L666-L670 VanDerWaalsContact O-CB 3.25Å; L666-L670 WeakPolarHBondContact O-CB 3.17Å; L666-L670 WeakPolarHBondContact O-CD1 3.21Å; L666-L670 WeakPolarHBondContact O-CG 3.21Å; L666-L670 PolarHBondContact O-N 2.86Å
667	T	95.2	Very high	94	Very high	37 Å²	37	26.4 Å²	26.4	23%	0.227	15%	0.145	C	C	.	.	H	α-helix	trans	-65.3	-38.8	-173.9	47.6	0	0	0	0	112.6	V635 T639 L663 S664 T671	V635-T667 HydrophobicContact CG1-CG2 4.49Å; T639-T667 VanDerWaalsContact CG2-CB 3.49Å; T639-T667 HydrophobicContact CG2-CG2 4.45Å; T639-T667 WeakPolarHBondContact CG2-OG1 3.05Å; L663-T667 WeakPolarHBondContact O-CB 3.41Å; L663-T667 WeakPolarHBondContact O-CG2 3.27Å; L663-T667 PolarHBondContact O-N 3.18Å; L663-T667 PolarHBondContact O-OG1 3.45Å; S664-T667 WeakPolarHBondContact CA-OG1 3.45Å; S664-T667 PolarHBondContact O-OG1 3.44Å; T667-T671 WeakPolarHBondContact O-CB 3.35Å; T667-T671 VanDerWaalsContact O-CG2 3.31Å; T667-T671 WeakPolarHBondContact O-CG2 3.31Å; T667-T671 PolarHBondContact O-N 3.19Å; T667-T671 PolarHBondContact O-OG1 2.97Å
668	W	95.9	Very high	93.8	Very high	20 Å²	20	26.8 Å²	26.8	8%	0.076	15%	0.146	C	C	.	.	H	α-helix	trans	-60.6	-59.7	175.2	-178.8	-92.8	0	0	0	113	Y394 L431 T435 N636 V640 S664 L666 L670 T671 V672	Y394-W668 HydrophobicContact CE1-CH2 4.41Å; L431-W668 HydrophobicContact CB-CD2 3.79Å; L431-W668 HydrophobicContact CB-CE3 4.14Å; L431-W668 HydrophobicContact CB-CG 4.11Å; L431-W668 HydrophobicContact CB-CH2 4.5Å; L431-W668 HydrophobicContact CB-CZ2 4.19Å; L431-W668 HydrophobicContact CB-CZ3 4.48Å; L431-W668 HydrophobicContact CD1-CD2 4.13Å; L431-W668 HydrophobicContact CD1-CE3 3.74Å; L431-W668 HydrophobicContact CD1-CZ3 4.18Å; L431-W668 HydrophobicContact CD2-CB 4.43Å; L431-W668 HydrophobicContact CG-CD2 4.46Å; L431-W668 PolarHBondContact O-NE1 2.99Å; T435-W668 PolarHBondContact OG1-NE1 3.26Å; N636-W668 VanDerWaalsContact ND2-CE3 3.25Å; N636-W668 VanDerWaalsContact ND2-CZ3 3.28Å; N636-W668 WeakPolarHBondContact ND2-CZ3 3.49Å; N636-W668 WeakPolarHBondContact OD1-CZ3 3.27Å; V640-W668 HydrophobicContact CG2-CE3 4.35Å; V640-W668 HydrophobicContact CG2-CH2 4.49Å; V640-W668 HydrophobicContact CG2-CZ3 3.62Å; S664-W668 VanDerWaalsContact O-CB 3.29Å; S664-W668 WeakPolarHBondContact O-CB 3.45Å; S664-W668 PolarHBondContact O-N 3.41Å; L666-W668 PolarHBondContact O-N 3.33Å; W668-L670 VanDerWaalsContact C-N 3.27Å; W668-L670 PolarHBondContact O-N 3.17Å; W668-T671 PolarHBondContact O-N 3.19Å; W668-T671 PolarHBondContact O-OG1 3.04Å; W668-V672 WeakPolarHBondContact O-CG2 3.28Å; W668-V672 PolarHBondContact O-N 2.97Å
669	P	96.4	Very high	93.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-64.7	-29.5	179	24.6	-34.5	0	0	0	113.2	L438 P599 I602 R665 L666 G673	L438-P669 HydrophobicContact CB-CB 4.34Å; L438-P669 HydrophobicContact CD1-CB 4.05Å; L438-P669 HydrophobicContact CD2-CB 4.38Å; L438-P669 WeakPolarHBondContact CD2-O 3.21Å; L438-P669 HydrophobicContact CG-CB 4.49Å; P599-P669 HydrophobicContact CB-CB 3.79Å; P599-P669 HydrophobicContact CB-CG 3.89Å; I602-P669 HydrophobicContact CD1-CB 4.3Å; I602-P669 HydrophobicContact CD1-CG 3.8Å; I602-P669 HydrophobicContact CG2-CB 4.43Å; R665-P669 WeakPolarHBondContact O-CD 3.46Å; R665-P669 WeakPolarHBondContact O-CG 3.36Å; L666-P669 VanDerWaalsContact O-CD 3.31Å; L666-P669 WeakPolarHBondContact O-CD 3.18Å; L666-P669 WeakPolarHBondContact O-CG 3.43Å; P669-G673 WeakPolarHBondContact O-CA 3.46Å; P669-G673 PolarHBondContact O-N 3.26Å
670	L	96.1	Very high	93	Very high	97 Å²	97	24.2 Å²	24.2	51%	0.508	13%	0.133	S	C	.	.	H	α-helix	trans	-66.3	-42.8	173.8	-74.3	171.5	0	0	0	112.2	I602 L666 W668 G673 A674	I602-L670 HydrophobicContact CD1-CD2 4.45Å; I602-L670 HydrophobicContact CD1-CG 4.27Å; I602-L670 HydrophobicContact CG2-CD2 4.07Å; L666-L670 HydrophobicContact CB-CD1 4.47Å; L666-L670 VanDerWaalsContact O-CB 3.25Å; L666-L670 WeakPolarHBondContact O-CB 3.17Å; L666-L670 WeakPolarHBondContact O-CD1 3.21Å; L666-L670 WeakPolarHBondContact O-CG 3.21Å; L666-L670 PolarHBondContact O-N 2.86Å; W668-L670 VanDerWaalsContact C-N 3.27Å; W668-L670 PolarHBondContact O-N 3.17Å; L670-G673 PolarHBondContact O-N 2.92Å; L670-A674 VanDerWaalsContact O-CB 3.26Å; L670-A674 WeakPolarHBondContact O-CB 3.34Å; L670-A674 PolarHBondContact O-N 2.91Å
671	T	96.1	Very high	92.5	Very high	12 Å²	12	24.5 Å²	24.5	7%	0.074	14%	0.136	C	C	.	.	H	α-helix	trans	-69.3	-41.6	178.3	50.8	0	0	0	0	111.9	V635 N636 T667 W668 A674 L675	V635-T671 HydrophobicContact CB-CG2 3.75Å; V635-T671 HydrophobicContact CG1-CG2 3.5Å; N636-T671 HydrophobicContact CB-CG2 4.45Å; N636-T671 PolarHBondContact ND2-OG1 3.11Å; N636-T671 VanDerWaalsContact ND2-OG1 3.1Å; T667-T671 WeakPolarHBondContact O-CB 3.35Å; T667-T671 VanDerWaalsContact O-CG2 3.31Å; T667-T671 WeakPolarHBondContact O-CG2 3.31Å; T667-T671 PolarHBondContact O-N 3.19Å; T667-T671 PolarHBondContact O-OG1 2.97Å; W668-T671 PolarHBondContact O-N 3.19Å; W668-T671 PolarHBondContact O-OG1 3.04Å; T671-A674 PolarHBondContact O-N 3.02Å; T671-L675 WeakPolarHBondContact O-CB 3.49Å; T671-L675 PolarHBondContact O-N 3.21Å
672	V	95.9	Very high	91.7	Very high	14 Å²	14	25.2 Å²	25.2	9%	0.085	14%	0.139	C	C	.	.	H	α-helix	trans	-64.9	-41.5	173.4	178.5	0	0	0	0	110.8	I387 T435 L438 W668 L675 I676	I387-V672 HydrophobicContact CG2-CG1 4.3Å; T435-V672 HydrophobicContact CG2-CG1 4.12Å; L438-V672 HydrophobicContact CD2-CB 3.75Å; L438-V672 HydrophobicContact CD2-CG1 3.6Å; W668-V672 WeakPolarHBondContact O-CG2 3.28Å; W668-V672 PolarHBondContact O-N 2.97Å; V672-L675 WeakPolarHBondContact O-CB 3.27Å; V672-L675 PolarHBondContact O-N 3.23Å; V672-I676 HydrophobicContact CG1-CD1 4.28Å; V672-I676 WeakPolarHBondContact O-CG1 3.24Å; V672-I676 PolarHBondContact O-N 3.04Å
673	G	96.1	Very high	90.3	Very high	7 Å²	7	29.1 Å²	29.1	7%	0.072	17%	0.165	C	C	.	.	H	α-helix	trans	-63.4	-40.5	175	0	0	0	0	0	112.8	P669 L670 L675 I676 V677	P669-G673 WeakPolarHBondContact O-CA 3.46Å; P669-G673 PolarHBondContact O-N 3.26Å; L670-G673 PolarHBondContact O-N 2.92Å; G673-L675 VanDerWaalsContact C-N 3.34Å; G673-I676 WeakPolarHBondContact O-CB 3.3Å; G673-I676 PolarHBondContact O-N 3.02Å; G673-V677 WeakPolarHBondContact O-CG2 3.34Å; G673-V677 PolarHBondContact O-N 2.96Å
674	A	94.2	Very high	88.3	Confident	38 Å²	38	33.8 Å²	33.8	31%	0.314	18%	0.181	S	C	.	.	H	α-helix	trans	-64	-39	173.6	0	0	0	0	0	111.6	I632 L670 T671 I676 V677 W678	I632-A674 HydrophobicContact CD1-CB 3.8Å; I632-A674 HydrophobicContact CG1-CB 3.96Å; L670-A674 VanDerWaalsContact O-CB 3.26Å; L670-A674 WeakPolarHBondContact O-CB 3.34Å; L670-A674 PolarHBondContact O-N 2.91Å; T671-A674 PolarHBondContact O-N 3.02Å; A674-I676 VanDerWaalsContact C-N 3.33Å; A674-I676 PolarHBondContact O-N 3.08Å; A674-V677 PolarHBondContact O-N 3.32Å; A674-W678 WeakPolarHBondContact O-CB 3.41Å; A674-W678 PolarHBondContact O-N 3.4Å
675	L	93	Very high	86.3	Confident	34 Å²	34	35.9 Å²	35.9	18%	0.178	20%	0.195	C	C	.	.	H	α-helix	trans	-62.4	-38.8	172.9	179.7	65.9	0	0	0	112	F629 I632 T671 V672 G673 W678 C679 V692 L696	F629-L675 HydrophobicContact CE2-CD1 4.08Å; I632-L675 HydrophobicContact CG2-CB 4.47Å; T671-L675 WeakPolarHBondContact O-CB 3.49Å; T671-L675 PolarHBondContact O-N 3.21Å; V672-L675 WeakPolarHBondContact O-CB 3.27Å; V672-L675 PolarHBondContact O-N 3.23Å; G673-L675 VanDerWaalsContact C-N 3.34Å; L675-W678 VanDerWaalsContact O-CB 3.32Å; L675-W678 WeakPolarHBondContact O-CB 3.43Å; L675-W678 PolarHBondContact O-N 2.91Å; L675-C679 PolarHBondContact O-N 2.97Å; L675-C679 PolarHBondContact O-SG 3.39Å; L675-V692 HydrophobicContact CD1-CG1 4.42Å; L675-L696 HydrophobicContact CD2-CD1 4.45Å
676	I	92.3	Very high	84.2	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.6	-48.5	175.1	-72.5	169.1	0	0	0	110.7	Y383 L384 I387 L438 L439 L606 L610 V672 G673 A674 W678 C679 Q680	Y383-I676 HydrophobicContact CE2-CG2 3.96Å; L384-I676 HydrophobicContact CD2-CD1 3.84Å; L384-I676 HydrophobicContact CD2-CG1 3.93Å; L384-I676 HydrophobicContact CD2-CG2 4.2Å; I387-I676 HydrophobicContact CD1-CD1 4.27Å; I387-I676 HydrophobicContact CD1-CG1 3.63Å; L438-I676 HydrophobicContact CD2-CD1 4.35Å; L439-I676 HydrophobicContact CD2-CD1 3.81Å; L606-I676 HydrophobicContact CD1-CG2 4.39Å; L606-I676 HydrophobicContact CD2-CB 4.36Å; L606-I676 HydrophobicContact CD2-CD1 3.94Å; L606-I676 HydrophobicContact CD2-CG2 4.17Å; L610-I676 HydrophobicContact CD1-CG2 3.79Å; L610-I676 HydrophobicContact CD2-CG2 4.15Å; V672-I676 HydrophobicContact CG1-CD1 4.28Å; V672-I676 WeakPolarHBondContact O-CG1 3.24Å; V672-I676 PolarHBondContact O-N 3.04Å; G673-I676 WeakPolarHBondContact O-CB 3.3Å; G673-I676 PolarHBondContact O-N 3.02Å; A674-I676 VanDerWaalsContact C-N 3.33Å; A674-I676 PolarHBondContact O-N 3.08Å; I676-W678 VanDerWaalsContact C-N 3.29Å; I676-W678 PolarHBondContact O-N 3.31Å; I676-C679 PolarHBondContact O-N 3.14Å; I676-Q680 PolarHBondContact O-N 3.2Å
677	V	90.7	Very high	82.1	Confident	24 Å²	24	52.8 Å²	52.8	15%	0.145	27%	0.27	C	S	.	.	H	α-helix	trans	-61.6	-40.9	176.4	173.7	0	0	0	0	110.9	L606 L609 L610 L613 G673 A674 Q680 L681	L606-V677 HydrophobicContact CD1-CG2 3.47Å; L606-V677 VanDerWaalsContact CD1-CG2 3.47Å; L609-V677 HydrophobicContact CD2-CG2 4.05Å; L610-V677 HydrophobicContact CD2-CG2 4.32Å; L613-V677 HydrophobicContact CD1-CG1 4Å; G673-V677 WeakPolarHBondContact O-CG2 3.34Å; G673-V677 PolarHBondContact O-N 2.96Å; A674-V677 PolarHBondContact O-N 3.32Å; V677-Q680 PolarHBondContact O-N 3.01Å; V677-L681 HydrophobicContact CG1-CD1 3.64Å; V677-L681 HydrophobicContact CG1-CG 4.04Å; V677-L681 WeakPolarHBondContact O-CB 3.41Å; V677-L681 WeakPolarHBondContact O-CG 3.13Å; V677-L681 PolarHBondContact O-N 3.5Å
678	W	88.6	Confident	79.8	Confident	15 Å²	15	55.8 Å²	55.8	6%	0.057	29%	0.289	C	S	.	.	H	α-helix	trans	-56.2	-51.2	175.5	-177.3	-95.3	0	0	0	112.4	K625 I628 F629 A674 L675 I676 Q680 L681 F682	K625-W678 VanDerWaalsContact C-CH2 3.46Å; K625-W678 HydrophobicContact CB-CH2 3.87Å; K625-W678 HydrophobicContact CB-CZ2 4.45Å; K625-W678 HydrophobicContact CD-CH2 4.29Å; K625-W678 HydrophobicContact CD-CZ2 4.13Å; K625-W678 HydrophobicContact CG-CH2 3.09Å; K625-W678 HydrophobicContact CG-CZ2 3.31Å; K625-W678 HydrophobicContact CG-CZ3 4.21Å; K625-W678 WeakPolarHBondContact O-CH2 3.45Å; I628-W678 HydrophobicContact CB-CE3 4.39Å; I628-W678 HydrophobicContact CB-CH2 4.3Å; I628-W678 HydrophobicContact CB-CZ3 3.65Å; I628-W678 HydrophobicContact CD1-CZ3 4.39Å; I628-W678 HydrophobicContact CG2-CE3 3.78Å; I628-W678 HydrophobicContact CG2-CZ3 3.53Å; F629-W678 HydrophobicContact CB-CH2 4.15Å; F629-W678 HydrophobicContact CB-CZ2 3.76Å; F629-W678 AromaticContact CD2-NE1 3.74Å; F629-W678 HydrophobicContact CG-CZ2 4.48Å; A674-W678 WeakPolarHBondContact O-CB 3.41Å; A674-W678 PolarHBondContact O-N 3.4Å; L675-W678 VanDerWaalsContact O-CB 3.32Å; L675-W678 WeakPolarHBondContact O-CB 3.43Å; L675-W678 PolarHBondContact O-N 2.91Å; I676-W678 VanDerWaalsContact C-N 3.29Å; I676-W678 PolarHBondContact O-N 3.31Å; W678-Q680 VanDerWaalsContact C-N 3.29Å; W678-Q680 PolarHBondContact O-N 3.36Å; W678-L681 PolarHBondContact O-N 2.86Å; W678-F682 AromaticContact CD2-CD2 3.81Å; W678-F682 HydrophobicContact CD2-CD2 3.81Å; W678-F682 AromaticContact CD2-CE2 4Å; W678-F682 HydrophobicContact CD2-CE2 4Å; W678-F682 AromaticContact CE2-CD2 3.94Å; W678-F682 AromaticContact CE3-CD2 3.93Å; W678-F682 HydrophobicContact CE3-CD2 3.93Å; W678-F682 AromaticContact CE3-CE2 3.61Å; W678-F682 HydrophobicContact CE3-CE2 3.61Å; W678-F682 HydrophobicContact CG-CD2 4.31Å; W678-F682 HydrophobicContact CH2-CD2 4.2Å; W678-F682 AromaticContact CH2-CE2 3.9Å; W678-F682 HydrophobicContact CH2-CE2 3.9Å; W678-F682 HydrophobicContact CZ2-CD2 4.17Å; W678-F682 HydrophobicContact CZ2-CE2 4.33Å; W678-F682 HydrophobicContact CZ3-CD2 4.11Å; W678-F682 AromaticContact CZ3-CE2 3.53Å; W678-F682 HydrophobicContact CZ3-CE2 3.53Å; W678-F682 HydrophobicContact CZ3-CZ 4.4Å; W678-F682 VanDerWaalsContact O-CD2 3.27Å; W678-F682 WeakPolarHBondContact O-CD2 3.47Å; W678-F682 PolarHBondContact O-N 3.47Å; W678-F682 VanDerWaalsContact O-N 3.12Å
679	C	86.7	Confident	77.7	Confident	2 Å²	2	64.1 Å²	64.1	1%	0.014	32%	0.32	C	S	.	.	H	α-helix	trans	-61	-38	176.7	-75.9	0	0	0	0	112.3	Y383 L675 I676	Y383-C679 HydrophobicContact CD1-CB 4Å; Y383-C679 HydrophobicContact CD2-CB 4.16Å; Y383-C679 HydrophobicContact CE1-CB 4.34Å; Y383-C679 HydrophobicContact CG-CB 3.89Å; L675-C679 PolarHBondContact O-N 2.97Å; L675-C679 PolarHBondContact O-SG 3.39Å; I676-C679 PolarHBondContact O-N 3.14Å
680	Q	83.6	Confident	76.3	Confident	36 Å²	36	66.2 Å²	66.2	17%	0.168	33%	0.333	C	S	.	.	H	α-helix	trans	-70.1	-41.1	179.1	-175.8	64.7	15.3	0	0	113.3	Y383 L610 I676 V677 W678 P683	Y383-Q680 PolarHBondContact OH-OE1 3.16Å; L610-Q680 HydrophobicContact CD2-CB 4.04Å; L610-Q680 HydrophobicContact CD2-CG 4.03Å; I676-Q680 PolarHBondContact O-N 3.2Å; V677-Q680 PolarHBondContact O-N 3.01Å; W678-Q680 VanDerWaalsContact C-N 3.29Å; W678-Q680 PolarHBondContact O-N 3.36Å; Q680-P683 WeakPolarHBondContact O-CD 3.36Å
681	L	82.8	Confident	75.5	Confident	35 Å²	35	68 Å²	68	18%	0.183	34%	0.341	C	S	.	.	H	α-helix	trans	-76.1	-29.9	-177.1	-71.7	178.8	0	0	0	112.5	L613 F618 V677 W678 P683	L613-L681 HydrophobicContact CB-CD2 4.43Å; L613-L681 HydrophobicContact CD1-CD2 4.21Å; L613-L681 HydrophobicContact CD2-CD2 4.36Å; F618-L681 HydrophobicContact CD2-CD2 3.84Å; F618-L681 HydrophobicContact CE2-CD2 4.42Å; V677-L681 HydrophobicContact CG1-CD1 3.64Å; V677-L681 HydrophobicContact CG1-CG 4.04Å; V677-L681 WeakPolarHBondContact O-CB 3.41Å; V677-L681 WeakPolarHBondContact O-CG 3.13Å; V677-L681 PolarHBondContact O-N 3.5Å; W678-L681 PolarHBondContact O-N 2.86Å; L681-P683 VanDerWaalsContact O-CD 3.23Å; L681-P683 WeakPolarHBondContact O-CD 3.35Å
682	F	76.2	Confident	74.9	Confident	16 Å²	16	70 Å²	70	7%	0.07	35%	0.354	C	S	.	.			trans	-118	54.2	-176.6	-52.4	-67.4	0	0	0	113.7	M620 K625 W678 K684	M620-F682 HydrophobicContact CB-CE1 4.46Å; M620-F682 HydrophobicContact CE-CZ 3.83Å; K625-F682 HydrophobicContact CD-CD1 4.49Å; W678-F682 AromaticContact CD2-CD2 3.81Å; W678-F682 HydrophobicContact CD2-CD2 3.81Å; W678-F682 AromaticContact CD2-CE2 4Å; W678-F682 HydrophobicContact CD2-CE2 4Å; W678-F682 AromaticContact CE2-CD2 3.94Å; W678-F682 AromaticContact CE3-CD2 3.93Å; W678-F682 HydrophobicContact CE3-CD2 3.93Å; W678-F682 AromaticContact CE3-CE2 3.61Å; W678-F682 HydrophobicContact CE3-CE2 3.61Å; W678-F682 HydrophobicContact CG-CD2 4.31Å; W678-F682 HydrophobicContact CH2-CD2 4.2Å; W678-F682 AromaticContact CH2-CE2 3.9Å; W678-F682 HydrophobicContact CH2-CE2 3.9Å; W678-F682 HydrophobicContact CZ2-CD2 4.17Å; W678-F682 HydrophobicContact CZ2-CE2 4.33Å; W678-F682 HydrophobicContact CZ3-CD2 4.11Å; W678-F682 AromaticContact CZ3-CE2 3.53Å; W678-F682 HydrophobicContact CZ3-CE2 3.53Å; W678-F682 HydrophobicContact CZ3-CZ 4.4Å; W678-F682 VanDerWaalsContact O-CD2 3.27Å; W678-F682 WeakPolarHBondContact O-CD2 3.47Å; W678-F682 PolarHBondContact O-N 3.47Å; W678-F682 VanDerWaalsContact O-N 3.12Å; F682-K684 VanDerWaalsContact C-N 3.3Å; F682-K684 PolarHBondContact O-N 2.9Å
683	P	64.2	Low	74.2	Confident	90 Å²	90	70 Å²	70	58%	0.584	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-24.7	-178.3	30.7	-33.6	0	0	0	112.2	Q680 L681	Q680-P683 WeakPolarHBondContact O-CD 3.36Å; L681-P683 VanDerWaalsContact O-CD 3.23Å; L681-P683 WeakPolarHBondContact O-CD 3.35Å
684	K	51.6	Low	73.4	Confident	187 Å²	187	72.9 Å²	72.9	81%	0.813	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.8	51.2	-168.1	-66.1	-175	178.2	178	0	113.2	F682 K686	F682-K684 VanDerWaalsContact C-N 3.3Å; F682-K684 PolarHBondContact O-N 2.9Å; K684-K686 VanDerWaalsContact C-N 3.33Å; K684-K686 PolarHBondContact O-N 3.34Å
685	C	51.1	Low	73.1	Confident	45 Å²	45	75.5 Å²	75.5	30%	0.304	37%	0.373	S	S	.	.			trans	-68.4	99.2	160.1	-75.7	0	0	0	0	107.9	K625 E687 T688	K625-C685 PolarHBondContact NZ-SG 3.44Å; C685-E687 PolarHBondContact O-N 2.94Å; C685-E687 VanDerWaalsContact O-N 3.13Å; C685-T688 CarbonylContact O-C 3.24Å; C685-T688 PolarHBondContact O-N 3.4Å
686	K	46.8	Very low	72.8	Confident	212 Å²	212	74.4 Å²	74.4	92%	0.922	37%	0.367	S	S	*	.	S	Bend	trans	-54.8	-24.6	179.7	-82.7	-178.8	171.9	-178.5	0	113.6	K684	K684-K686 VanDerWaalsContact C-N 3.33Å; K684-K686 PolarHBondContact O-N 3.34Å
687	E	50.1	Low	72.5	Confident	187 Å²	187	76.3 Å²	76.3	87%	0.874	38%	0.38	S	S	*	.	S	Bend	trans	-98.2	-23.5	-174.1	-77.6	171.1	159.3	0	0	114.8	C685	C685-E687 PolarHBondContact O-N 2.94Å; C685-E687 VanDerWaalsContact O-N 3.13Å
688	T	48.1	Very low	72.2	Confident	101 Å²	101	79.8 Å²	79.8	62%	0.62	40%	0.396	S	S	*	.			trans	-152.1	94.8	173.1	32.7	0	0	0	0	108.1	C685 T690	C685-T688 CarbonylContact O-C 3.24Å; C685-T688 PolarHBondContact O-N 3.4Å; T688-T690 PolarHBondContact O-N 2.92Å
689	R	51.2	Low	72.1	Confident	194 Å²	194	84.8 Å²	84.8	73%	0.732	42%	0.424	S	S	*	.			trans	-54.5	110.9	162.3	-83.9	159.2	156.7	-150.1	8	107.2	I691 Q694	R689-I691 PolarHBondContact O-N 3.49Å; R689-I691 VanDerWaalsContact O-N 3.15Å; R689-Q694 VanDerWaalsContact CB-CD 3.46Å; R689-Q694 HydrophobicContact CB-CG 3.98Å; R689-Q694 VanDerWaalsContact CD-NE2 3.28Å; R689-Q694 HydrophobicContact CG-CG 4.33Å; R689-Q694 VanDerWaalsContact NH1-NE2 3.17Å
690	T	67.6	Low	72.2	Confident	44 Å²	44	91 Å²	91	27%	0.27	45%	0.451	S	S	.	.			trans	-65.7	116.3	172.6	45.7	0	0	0	0	107.4	T688 V692 S693 Q694	T688-T690 PolarHBondContact O-N 2.92Å; T690-V692 PolarHBondContact O-N 3.17Å; T690-S693 PolarHBondContact O-N 2.94Å; T690-Q694 PolarHBondContact O-N 2.85Å
691	I	79	Confident	72.5	Confident	134 Å²	134	90.1 Å²	90.1	69%	0.687	45%	0.446	S	S	*	.	H	α-helix	trans	-46	-39.1	-175.4	-63	169.2	0	0	0	111.7	R689 Q694 M695	R689-I691 PolarHBondContact O-N 3.49Å; R689-I691 VanDerWaalsContact O-N 3.15Å; I691-Q694 PolarHBondContact O-N 3.16Å; I691-M695 WeakPolarHBondContact O-CB 3.45Å; I691-M695 PolarHBondContact O-N 3.06Å
692	V	82.5	Confident	72.8	Confident	55 Å²	55	88.8 Å²	88.8	33%	0.333	44%	0.439	S	S	.	.	H	α-helix	trans	-61.2	-48.3	-179.4	-178.7	0	0	0	0	113	F629 L675 T690 Q694 M695 L696	F629-V692 HydrophobicContact CE2-CG2 4.46Å; F629-V692 HydrophobicContact CZ-CG2 3.89Å; L675-V692 HydrophobicContact CD1-CG1 4.42Å; T690-V692 PolarHBondContact O-N 3.17Å; V692-Q694 VanDerWaalsContact C-N 3.29Å; V692-Q694 PolarHBondContact O-N 2.94Å; V692-M695 PolarHBondContact O-N 3.47Å; V692-L696 HydrophobicContact CG1-CD1 3.95Å; V692-L696 HydrophobicContact CG1-CG 4.46Å; V692-L696 WeakPolarHBondContact O-CG 3.42Å; V692-L696 PolarHBondContact O-N 3.29Å
693	S	80.9	Confident	73.5	Confident	15 Å²	15	90.3 Å²	90.3	11%	0.105	45%	0.451	C	S	.	.	H	α-helix	trans	-65.1	-37.4	180	-174.2	0	0	0	0	111	T690 S697	T690-S693 PolarHBondContact O-N 2.94Å; S693-S697 VanDerWaalsContact O-CB 3.31Å; S693-S697 WeakPolarHBondContact O-CB 3.4Å; S693-S697 PolarHBondContact O-N 2.99Å; S693-S697 PolarHBondContact O-OG 3.2Å
694	Q	81.4	Confident	74.8	Confident	67 Å²	67	87.5 Å²	87.5	31%	0.313	43%	0.431	S	S	.	.	H	α-helix	trans	-64.9	-46.6	174.8	-62.2	-173.7	-75.8	0	0	111.8	R689 T690 I691 V692 L696 S697 M698	R689-Q694 VanDerWaalsContact CB-CD 3.46Å; R689-Q694 HydrophobicContact CB-CG 3.98Å; R689-Q694 VanDerWaalsContact CD-NE2 3.28Å; R689-Q694 HydrophobicContact CG-CG 4.33Å; R689-Q694 VanDerWaalsContact NH1-NE2 3.17Å; T690-Q694 PolarHBondContact O-N 2.85Å; I691-Q694 PolarHBondContact O-N 3.16Å; V692-Q694 VanDerWaalsContact C-N 3.29Å; V692-Q694 PolarHBondContact O-N 2.94Å; Q694-L696 PolarHBondContact O-N 3.46Å; Q694-S697 PolarHBondContact O-N 2.82Å; Q694-S697 PolarHBondContact O-OG 3.4Å; Q694-M698 WeakPolarHBondContact O-CG 3.44Å; Q694-M698 PolarHBondContact O-N 2.86Å
695	M	86.6	Confident	76.6	Confident	93 Å²	93	78.6 Å²	78.6	46%	0.458	39%	0.392	S	S	.	.	H	α-helix	trans	-60.4	-45.3	179.4	-175.2	178.1	174.9	0	0	111.2	I691 V692 S697 M698 W701	I691-M695 WeakPolarHBondContact O-CB 3.45Å; I691-M695 PolarHBondContact O-N 3.06Å; V692-M695 PolarHBondContact O-N 3.47Å; M695-S697 PolarHBondContact O-N 3.46Å; M695-M698 WeakPolarHBondContact O-CG 3.15Å; M695-W701 VanDerWaalsContact O-CD1 3.32Å; M695-W701 PolarHBondContact O-NE1 2.79Å
696	L	87.4	Confident	78.4	Confident	10 Å²	10	79.2 Å²	79.2	5%	0.052	39%	0.39	C	S	.	.	H	α-helix	trans	-71.1	-28.9	-179.3	-68	174.3	0	0	0	113.5	Y383 G386 I387 L390 L675 V692 Q694	Y383-L696 WeakPolarHBondContact CA-O 3.25Å; G386-L696 PolarHBondContact N-O 3.16Å; I387-L696 HydrophobicContact CG1-CD1 4.11Å; I387-L696 HydrophobicContact CG1-CD2 4.12Å; L390-L696 HydrophobicContact CD1-CD2 3.72Å; L675-L696 HydrophobicContact CD2-CD1 4.45Å; V692-L696 HydrophobicContact CG1-CD1 3.95Å; V692-L696 HydrophobicContact CG1-CG 4.46Å; V692-L696 WeakPolarHBondContact O-CG 3.42Å; V692-L696 PolarHBondContact O-N 3.29Å; Q694-L696 PolarHBondContact O-N 3.46Å
697	S	85.1	Confident	80.4	Confident	40 Å²	40	69.7 Å²	69.7	28%	0.28	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	6.7	-178.5	59.7	0	0	0	0	114.4	S382 S693 Q694 M695	S382-S697 WeakPolarHBondContact OG-CB 3.23Å; S693-S697 VanDerWaalsContact O-CB 3.31Å; S693-S697 WeakPolarHBondContact O-CB 3.4Å; S693-S697 PolarHBondContact O-N 2.99Å; S693-S697 PolarHBondContact O-OG 3.2Å; Q694-S697 PolarHBondContact O-N 2.82Å; Q694-S697 PolarHBondContact O-OG 3.4Å; M695-S697 PolarHBondContact O-N 3.46Å
698	M	85.5	Confident	82.4	Confident	97 Å²	97	60.9 Å²	60.9	48%	0.478	31%	0.308	S	S	.	.			trans	-60.3	138.4	177.2	-67	-174.4	172.3	0	0	111.8	Q694 M695 F700 W701	Q694-M698 WeakPolarHBondContact O-CG 3.44Å; Q694-M698 PolarHBondContact O-N 2.86Å; M695-M698 WeakPolarHBondContact O-CG 3.15Å; M698-F700 HydrophobicContact CB-CB 4.24Å; M698-F700 PolarHBondContact O-N 2.91Å; M698-F700 VanDerWaalsContact O-N 3.1Å; M698-W701 PolarHBondContact O-N 3.39Å
699	D	86.1	Confident	84.2	Confident	120 Å²	120	60.5 Å²	60.5	64%	0.642	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-19.1	175.8	-66.4	-40.7	0	0	0	113.3	W701 N702	D699-W701 PolarHBondContact O-N 3.37Å; D699-N702 WeakPolarHBondContact CA-ND2 3.21Å; D699-N702 WeakPolarHBondContact O-CB 3.37Å; D699-N702 PolarHBondContact O-N 2.87Å; D699-N702 VanDerWaalsContact O-N 3.1Å; D699-N702 PolarHBondContact OD1-ND2 3.07Å
700	F	88.5	Confident	85.8	Confident	132 Å²	132	51.7 Å²	51.7	58%	0.579	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-36.4	170.7	175	-102.9	0	0	0	112.8	M698 N702 P703 L704	M698-F700 HydrophobicContact CB-CB 4.24Å; M698-F700 PolarHBondContact O-N 2.91Å; M698-F700 VanDerWaalsContact O-N 3.1Å; F700-N702 VanDerWaalsContact C-N 3.33Å; F700-N702 PolarHBondContact O-N 2.9Å; F700-P703 WeakPolarHBondContact O-CD 3.27Å; F700-L704 HydrophobicContact CD1-CD1 4.38Å; F700-L704 HydrophobicContact CE1-CD1 3.7Å; F700-L704 HydrophobicContact CZ-CD1 3.82Å
701	W	90.7	Very high	86.9	Confident	18 Å²	18	49.6 Å²	49.6	7%	0.068	25%	0.253	C	S	.	.	H	α-helix	trans	-76.5	-18	-178.2	-59.6	116.2	0	0	0	113.7	N385 C389 L390 M393 M695 M698 D699 L704 A705	N385-W701 HydrophobicContact CB-CB 3.9Å; C389-W701 HydrophobicContact CB-CD2 4.32Å; C389-W701 HydrophobicContact CB-CE3 3.35Å; C389-W701 HydrophobicContact CB-CZ3 3.62Å; L390-W701 HydrophobicContact CD2-CH2 3.83Å; L390-W701 HydrophobicContact CD2-CZ2 4.32Å; L390-W701 HydrophobicContact CG-CH2 4.2Å; L390-W701 HydrophobicContact CG-CZ2 4.47Å; M393-W701 HydrophobicContact CE-CZ3 3.88Å; M393-W701 HydrophobicContact SD-CZ3 4.36Å; M695-W701 VanDerWaalsContact O-CD1 3.32Å; M695-W701 PolarHBondContact O-NE1 2.79Å; M698-W701 PolarHBondContact O-N 3.39Å; D699-W701 PolarHBondContact O-N 3.37Å; W701-L704 HydrophobicContact CE3-CD1 4.12Å; W701-L704 HydrophobicContact CZ3-CD1 4.31Å; W701-L704 PolarHBondContact O-N 3.43Å; W701-A705 WeakPolarHBondContact O-CB 3.27Å; W701-A705 PolarHBondContact O-N 2.87Å
702	N	88.4	Confident	87.3	Confident	7 Å²	7	43.5 Å²	43.5	4%	0.037	22%	0.222	C	C	.	.	H	α-helix	trans	-59.2	-53.3	-173.4	-65.2	-19.7	0	0	0	113.4	T376 N385 D699 F700 L704 A705 Q706	T376-N702 HydrophobicContact CG2-CB 4.03Å; N385-N702 PolarHBondContact ND2-OD1 2.75Å; D699-N702 WeakPolarHBondContact CA-ND2 3.21Å; D699-N702 WeakPolarHBondContact O-CB 3.37Å; D699-N702 PolarHBondContact O-N 2.87Å; D699-N702 VanDerWaalsContact O-N 3.1Å; D699-N702 PolarHBondContact OD1-ND2 3.07Å; F700-N702 VanDerWaalsContact C-N 3.33Å; F700-N702 PolarHBondContact O-N 2.9Å; N702-L704 PolarHBondContact O-N 3.46Å; N702-A705 PolarHBondContact O-N 2.78Å; N702-Q706 PolarHBondContact O-N 3.27Å
703	P	90	Very high	87.4	Confident	48 Å²	48	43.9 Å²	43.9	31%	0.312	22%	0.222	S	C	.	.	H	α-helix	trans	-64.5	-40.9	177.8	24.8	-34.2	0	0	0	112	L373 F700 A705 Q706 L707	L373-P703 HydrophobicContact CB-CB 4.36Å; F700-P703 WeakPolarHBondContact O-CD 3.27Å; P703-A705 VanDerWaalsContact C-N 3.33Å; P703-A705 PolarHBondContact O-N 3.36Å; P703-Q706 PolarHBondContact O-N 3.23Å; P703-L707 WeakPolarHBondContact O-CG 3.49Å; P703-L707 PolarHBondContact O-N 2.87Å
704	L	92.1	Very high	87.5	Confident	31 Å²	31	43.9 Å²	43.9	16%	0.162	22%	0.222	C	C	.	.	H	α-helix	trans	-64.5	-36.8	179.9	-65.3	176	0	0	0	112.2	C389 M393 F700 W701 N702 Q706 L707 T708 Y749	C389-L704 VanDerWaalsContact SG-C 3.58Å; C389-L704 VanDerWaalsContact SG-CB 3.54Å; M393-L704 HydrophobicContact CE-CD1 4.38Å; F700-L704 HydrophobicContact CD1-CD1 4.38Å; F700-L704 HydrophobicContact CE1-CD1 3.7Å; F700-L704 HydrophobicContact CZ-CD1 3.82Å; W701-L704 HydrophobicContact CE3-CD1 4.12Å; W701-L704 HydrophobicContact CZ3-CD1 4.31Å; W701-L704 PolarHBondContact O-N 3.43Å; N702-L704 PolarHBondContact O-N 3.46Å; L704-Q706 VanDerWaalsContact C-N 3.32Å; L704-Q706 PolarHBondContact O-N 2.96Å; L704-L707 CarbonylContact O-C 3.57Å; L704-L707 PolarHBondContact O-N 3.48Å; L704-T708 PolarHBondContact O-N 3.24Å; L704-T708 PolarHBondContact O-OG1 3.38Å; L704-Y749 HydrophobicContact CB-CE1 4.19Å; L704-Y749 HydrophobicContact CD2-CD1 3.78Å; L704-Y749 HydrophobicContact CD2-CE1 4.07Å; L704-Y749 HydrophobicContact CD2-CG 4.19Å; L704-Y749 WeakPolarHBondContact O-CE1 3.15Å
705	A	90.4	Very high	87.7	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-68	-32.3	-179.8	0	0	0	0	0	112.8	N385 R388 C389 W701 N702 P703 T708	N385-A705 HydrophobicContact CB-CB 3.48Å; N385-A705 VanDerWaalsContact CB-CB 3.48Å; N385-A705 VanDerWaalsContact CG-CB 3.46Å; N385-A705 VanDerWaalsContact OD1-CB 3.28Å; N385-A705 WeakPolarHBondContact OD1-CB 3.19Å; R388-A705 VanDerWaalsContact CZ-O 3.3Å; R388-A705 PolarHBondContact NH1-O 2.99Å; R388-A705 PolarHBondContact NH2-O 3.04Å; C389-A705 VanDerWaalsContact SG-CA 3.6Å; C389-A705 PolarHBondContact SG-N 2.93Å; W701-A705 WeakPolarHBondContact O-CB 3.27Å; W701-A705 PolarHBondContact O-N 2.87Å; N702-A705 PolarHBondContact O-N 2.78Å; P703-A705 VanDerWaalsContact C-N 3.33Å; P703-A705 PolarHBondContact O-N 3.36Å; A705-T708 WeakPolarHBondContact CA-OG1 3.31Å; A705-T708 PolarHBondContact O-OG1 3.38Å
706	Q	87.3	Confident	87.5	Confident	59 Å²	59	36.8 Å²	36.8	28%	0.276	19%	0.188	S	C	.	.	H	α-helix	trans	-69.6	-39.9	172	-64.8	-65.9	-5	0	0	110.9	L373 N702 P703 L704 T708	L373-Q706 HydrophobicContact CD2-CB 3.56Å; L373-Q706 HydrophobicContact CD2-CG 4.28Å; N702-Q706 PolarHBondContact O-N 3.27Å; P703-Q706 PolarHBondContact O-N 3.23Å; L704-Q706 VanDerWaalsContact C-N 3.32Å; L704-Q706 PolarHBondContact O-N 2.96Å; Q706-T708 VanDerWaalsContact C-N 3.26Å; Q706-T708 PolarHBondContact O-N 3.41Å
707	L	89.9	Confident	87.1	Confident	11 Å²	11	38.7 Å²	38.7	6%	0.058	20%	0.197	C	C	.	.	H	α-helix	trans	-74.9	-12.3	178.4	-62.7	177.4	0	0	0	114.2	L373 P703 L704 Y709 G710 A711 Y749 A752 F753 Y756	L373-L707 HydrophobicContact CD1-CD2 4.48Å; L373-L707 HydrophobicContact CD2-CD2 4.06Å; L373-L707 HydrophobicContact CD2-CG 4.31Å; P703-L707 WeakPolarHBondContact O-CG 3.49Å; P703-L707 PolarHBondContact O-N 2.87Å; L704-L707 CarbonylContact O-C 3.57Å; L704-L707 PolarHBondContact O-N 3.48Å; L707-Y709 VanDerWaalsContact C-N 3.26Å; L707-Y709 PolarHBondContact O-N 3.12Å; L707-G710 PolarHBondContact O-N 3.44Å; L707-G710 VanDerWaalsContact O-N 3.13Å; L707-A711 PolarHBondContact O-N 3.38Å; L707-Y749 HydrophobicContact CB-CD1 4Å; L707-Y749 HydrophobicContact CB-CE1 4.3Å; L707-A752 HydrophobicContact CB-CB 4.42Å; L707-F753 HydrophobicContact CD1-CB 3.92Å; L707-F753 HydrophobicContact CD1-CD2 4.1Å; L707-F753 HydrophobicContact CD1-CG 4.5Å; L707-F753 HydrophobicContact CD2-CB 4.32Å; L707-F753 HydrophobicContact CD2-CD2 4.4Å; L707-Y756 HydrophobicContact CD2-CD2 4.31Å; L707-Y756 HydrophobicContact CD2-CG 3.9Å
708	T	91.5	Very high	86.9	Confident	2 Å²	2	37.5 Å²	37.5	1%	0.012	19%	0.189	C	C	.	.	H	α-helix	trans	-58.4	-37.7	-175.3	-60.3	0	0	0	0	112.2	M392 F436 L704 A705 Q706 A711 A712	M392-T708 HydrophobicContact CB-CG2 3.78Å; M392-T708 HydrophobicContact CE-CG2 3.75Å; M392-T708 WeakPolarHBondContact CE-O 3.34Å; M392-T708 HydrophobicContact CG-CG2 4.06Å; F436-T708 HydrophobicContact CE1-CG2 3.87Å; F436-T708 HydrophobicContact CZ-CG2 4.17Å; L704-T708 PolarHBondContact O-N 3.24Å; L704-T708 PolarHBondContact O-OG1 3.38Å; A705-T708 WeakPolarHBondContact CA-OG1 3.31Å; A705-T708 PolarHBondContact O-OG1 3.38Å; Q706-T708 VanDerWaalsContact C-N 3.26Å; Q706-T708 PolarHBondContact O-N 3.41Å; T708-A711 PolarHBondContact O-N 3.06Å; T708-A712 WeakPolarHBondContact O-CB 3.28Å; T708-A712 PolarHBondContact O-N 2.88Å
709	Y	86.3	Confident	86.7	Confident	94 Å²	94	33 Å²	33	37%	0.369	17%	0.166	S	C	.	.	H	α-helix	trans	-65.7	-46	177.3	178.2	-103.8	0	0	0	111.6	L707 A711 A712 L713	L707-Y709 VanDerWaalsContact C-N 3.26Å; L707-Y709 PolarHBondContact O-N 3.12Å; Y709-A711 PolarHBondContact O-N 3.41Å; Y709-A712 VanDerWaalsContact O-CB 3.27Å; Y709-A712 WeakPolarHBondContact O-CB 3.33Å; Y709-A712 PolarHBondContact O-N 2.93Å; Y709-L713 HydrophobicContact CD1-CD1 4.31Å; Y709-L713 HydrophobicContact CE1-CD1 3.68Å; Y709-L713 PolarHBondContact O-N 3.22Å
710	G	85.3	Confident	86	Confident	8 Å²	8	27.8 Å²	27.8	8%	0.082	14%	0.14	C	C	.	.	H	α-helix	trans	-56	-50.1	172.2	0	0	0	0	0	111.3	L707 A712 L713 V714	L707-G710 PolarHBondContact O-N 3.44Å; L707-G710 VanDerWaalsContact O-N 3.13Å; G710-A712 VanDerWaalsContact C-N 3.27Å; G710-A712 PolarHBondContact O-N 3.24Å; G710-L713 PolarHBondContact O-N 3.31Å; G710-V714 WeakPolarHBondContact O-CG2 3.17Å; G710-V714 PolarHBondContact O-N 2.78Å; G710-V714 VanDerWaalsContact O-N 3.16Å
711	A	89.9	Confident	85.1	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-59.4	-36.5	178.5	0	0	0	0	0	112.4	M392 L707 T708 Y709 L713 V714 H715 Y749 A752	M392-A711 HydrophobicContact CG-CB 4.42Å; L707-A711 PolarHBondContact O-N 3.38Å; T708-A711 PolarHBondContact O-N 3.06Å; Y709-A711 PolarHBondContact O-N 3.41Å; A711-L713 PolarHBondContact O-N 2.87Å; A711-V714 PolarHBondContact O-N 2.87Å; A711-H715 VanDerWaalsContact O-CB 3.31Å; A711-H715 WeakPolarHBondContact O-CB 3.16Å; A711-H715 PolarHBondContact O-N 3.37Å; A711-H715 PolarHBondContact O-ND1 3.3Å; A711-H715 VanDerWaalsContact O-ND1 3.09Å; A711-Y749 HydrophobicContact CB-CD1 4.27Å; A711-Y749 HydrophobicContact CB-CE1 4.19Å; A711-A752 HydrophobicContact CB-CB 4.11Å; A711-A752 VanDerWaalsContact N-CB 3.32Å
712	A	88	Confident	84.5	Confident	6 Å²	6	25 Å²	25	5%	0.05	14%	0.141	C	C	.	.	H	α-helix	trans	-58.8	-34.8	175	0	0	0	0	0	112.7	M392 F517 T708 Y709 G710 H715	M392-A712 VanDerWaalsContact CE-CA 3.42Å; M392-A712 HydrophobicContact CE-CB 3.27Å; F517-A712 HydrophobicContact CE1-CB 4.41Å; F517-A712 HydrophobicContact CE2-CB 4.43Å; F517-A712 HydrophobicContact CZ-CB 3.69Å; T708-A712 WeakPolarHBondContact O-CB 3.28Å; T708-A712 PolarHBondContact O-N 2.88Å; Y709-A712 VanDerWaalsContact O-CB 3.27Å; Y709-A712 WeakPolarHBondContact O-CB 3.33Å; Y709-A712 PolarHBondContact O-N 2.93Å; G710-A712 VanDerWaalsContact C-N 3.27Å; G710-A712 PolarHBondContact O-N 3.24Å; A712-H715 PolarHBondContact O-CE1 3Å; A712-H715 PolarHBondContact O-ND1 3.39Å
713	L	84.3	Confident	83.7	Confident	63 Å²	63	24.9 Å²	24.9	33%	0.33	14%	0.14	S	C	.	.	H	α-helix	trans	-82.6	-36.6	-178.5	-66.1	175.2	0	0	0	112.7	W514 V518 Y709 G710 A711	W514-L713 PolarHBondContact NE1-O 3.42Å; W514-L713 VanDerWaalsContact NE1-O 3.1Å; V518-L713 HydrophobicContact CG2-CD2 4.1Å; Y709-L713 HydrophobicContact CD1-CD1 4.31Å; Y709-L713 HydrophobicContact CE1-CD1 3.68Å; Y709-L713 PolarHBondContact O-N 3.22Å; G710-L713 PolarHBondContact O-N 3.31Å; A711-L713 PolarHBondContact O-N 2.87Å
714	V	83.5	Confident	82.8	Confident	16 Å²	16	26 Å²	26	10%	0.097	14%	0.144	C	C	.	.	H	α-helix	trans	-92.1	-22.4	-174.2	-137.7	0	0	0	0	114.3	G710 A711 P716 L717 V718 V751 L755	G710-V714 WeakPolarHBondContact O-CG2 3.17Å; G710-V714 PolarHBondContact O-N 2.78Å; G710-V714 VanDerWaalsContact O-N 3.16Å; A711-V714 PolarHBondContact O-N 2.87Å; V714-P716 VanDerWaalsContact C-CD 3.48Å; V714-L717 HydrophobicContact CG1-CB 4.38Å; V714-L717 HydrophobicContact CG1-CD1 4.24Å; V714-L717 WeakPolarHBondContact O-CA 3.16Å; V714-L717 VanDerWaalsContact O-CB 3.31Å; V714-L717 WeakPolarHBondContact O-CB 3.14Å; V714-L717 PolarHBondContact O-N 3.23Å; V714-V718 HydrophobicContact CB-CG2 4.45Å; V714-V718 HydrophobicContact CG1-CG2 4.2Å; V714-V718 PolarHBondContact O-N 2.91Å; V714-V751 HydrophobicContact CB-CG1 4.45Å; V714-V751 HydrophobicContact CG1-CB 4.43Å; V714-V751 HydrophobicContact CG1-CG1 3.77Å; V714-V751 HydrophobicContact CG2-CG1 4.29Å; V714-L755 HydrophobicContact CG2-CD1 3.48Å; V714-L755 VanDerWaalsContact CG2-CD1 3.48Å
715	H	85.1	Confident	81.8	Confident	9 Å²	9	29.4 Å²	29.4	4%	0.042	17%	0.166	C	C	.	.	H	α-helix	trans	-57.7	-38.1	-169.7	72.7	-80.9	0	0	0	115	I396 Y399 A711 A712 L717 V718 I719 S748	I396-H715 HydrophobicContact CD1-CB 4.05Å; I396-H715 HydrophobicContact CG1-CB 3.77Å; Y399-H715 AromaticContact CD2-NE2 3.55Å; Y399-H715 AromaticContact CE2-NE2 3.79Å; Y399-H715 AromaticContact CG-NE2 3.97Å; A711-H715 VanDerWaalsContact O-CB 3.31Å; A711-H715 WeakPolarHBondContact O-CB 3.16Å; A711-H715 PolarHBondContact O-N 3.37Å; A711-H715 PolarHBondContact O-ND1 3.3Å; A711-H715 VanDerWaalsContact O-ND1 3.09Å; A712-H715 PolarHBondContact O-CE1 3Å; A712-H715 PolarHBondContact O-ND1 3.39Å; H715-L717 VanDerWaalsContact C-N 3.3Å; H715-L717 PolarHBondContact O-N 2.77Å; H715-V718 PolarHBondContact O-N 2.91Å; H715-I719 WeakPolarHBondContact O-CB 3.47Å; H715-I719 WeakPolarHBondContact O-CD1 3.21Å; H715-I719 WeakPolarHBondContact O-CG1 3.38Å; H715-I719 PolarHBondContact O-N 3.34Å; H715-S748 WeakPolarHBondContact CA-OG 3.01Å; H715-S748 WeakPolarHBondContact CB-OG 3.44Å
716	P	81.3	Confident	81	Confident	2 Å²	2	33 Å²	33	1%	0.013	18%	0.184	C	C	.	.	H	α-helix	trans	-69.6	-33.1	178.7	-21	39.6	0	0	0	110.9	F403 W514 V714 I719 A720	F403-P716 HydrophobicContact CE2-CB 4.45Å; F403-P716 HydrophobicContact CZ-CB 4.49Å; W514-P716 HydrophobicContact CB-CG 3.88Å; W514-P716 HydrophobicContact CD2-CB 3.76Å; W514-P716 HydrophobicContact CD2-CG 3.73Å; W514-P716 HydrophobicContact CE3-CB 3.78Å; W514-P716 HydrophobicContact CE3-CG 4.24Å; W514-P716 HydrophobicContact CG-CB 4.11Å; W514-P716 HydrophobicContact CG-CG 3.55Å; W514-P716 HydrophobicContact CZ3-CB 4.29Å; V714-P716 VanDerWaalsContact C-CD 3.48Å; P716-I719 PolarHBondContact O-N 2.82Å; P716-A720 WeakPolarHBondContact O-CB 3.46Å; P716-A720 PolarHBondContact O-N 3.31Å
717	L	79.5	Confident	80.4	Confident	49 Å²	49	37.3 Å²	37.3	26%	0.257	20%	0.198	S	C	.	.	H	α-helix	trans	-65	-42.6	173.8	-57.2	-178.8	0	0	0	111.8	I481 W514 V714 H715 G721	I481-L717 HydrophobicContact CD1-CD1 4.44Å; I481-L717 HydrophobicContact CG2-CD2 3.26Å; W514-L717 HydrophobicContact CH2-CD2 3.26Å; W514-L717 HydrophobicContact CH2-CG 4.07Å; W514-L717 HydrophobicContact CZ2-CD1 4.3Å; W514-L717 HydrophobicContact CZ2-CD2 3.41Å; W514-L717 VanDerWaalsContact CZ2-CD2 3.41Å; W514-L717 HydrophobicContact CZ2-CG 3.71Å; W514-L717 HydrophobicContact CZ3-CD2 4.34Å; V714-L717 HydrophobicContact CG1-CB 4.38Å; V714-L717 HydrophobicContact CG1-CD1 4.24Å; V714-L717 WeakPolarHBondContact O-CA 3.16Å; V714-L717 VanDerWaalsContact O-CB 3.31Å; V714-L717 WeakPolarHBondContact O-CB 3.14Å; V714-L717 PolarHBondContact O-N 3.23Å; H715-L717 VanDerWaalsContact C-N 3.3Å; H715-L717 PolarHBondContact O-N 2.77Å; L717-G721 PolarHBondContact O-N 3.38Å
718	V	81	Confident	80	Confident	16 Å²	16	42.9 Å²	42.9	10%	0.097	23%	0.228	C	C	.	.	H	α-helix	trans	-65.4	-46.9	176.8	170.9	0	0	0	0	110.3	V714 H715 G721 L722 I747 V751	V714-V718 HydrophobicContact CB-CG2 4.45Å; V714-V718 HydrophobicContact CG1-CG2 4.2Å; V714-V718 PolarHBondContact O-N 2.91Å; H715-V718 PolarHBondContact O-N 2.91Å; V718-G721 PolarHBondContact O-N 3.48Å; V718-L722 HydrophobicContact CG1-CD1 3.9Å; V718-L722 HydrophobicContact CG1-CG 4.45Å; V718-L722 WeakPolarHBondContact O-CB 3.29Å; V718-L722 VanDerWaalsContact O-CG 3.25Å; V718-L722 WeakPolarHBondContact O-CG 2.94Å; V718-L722 PolarHBondContact O-N 3.35Å; V718-I747 HydrophobicContact CG1-CB 3.8Å; V718-I747 HydrophobicContact CG1-CG2 3.5Å; V718-I747 VanDerWaalsContact CG1-CG2 3.5Å; V718-I747 HydrophobicContact CG2-CG2 4.23Å; V718-V751 HydrophobicContact CG2-CG2 4.35Å
719	I	80.8	Confident	79.5	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-63	-47	178.6	-67.2	164.3	0	0	0	110.6	I396 F403 H715 P716 G721 L722 L723 A744	I396-I719 HydrophobicContact CG2-CD1 4.24Å; F403-I719 HydrophobicContact CB-CG2 3.57Å; F403-I719 HydrophobicContact CD1-CG2 4.33Å; F403-I719 HydrophobicContact CD2-CG2 3.77Å; F403-I719 HydrophobicContact CG-CG2 3.63Å; H715-I719 WeakPolarHBondContact O-CB 3.47Å; H715-I719 WeakPolarHBondContact O-CD1 3.21Å; H715-I719 WeakPolarHBondContact O-CG1 3.38Å; H715-I719 PolarHBondContact O-N 3.34Å; P716-I719 PolarHBondContact O-N 2.82Å; I719-G721 VanDerWaalsContact C-N 3.33Å; I719-G721 PolarHBondContact O-N 3.35Å; I719-L722 PolarHBondContact O-N 3.43Å; I719-L722 VanDerWaalsContact O-N 3.14Å; I719-L723 HydrophobicContact CG2-CD1 3.72Å; I719-L723 HydrophobicContact CG2-CG 4.36Å; I719-L723 WeakPolarHBondContact O-CB 3.49Å; I719-L723 PolarHBondContact O-N 3.4Å; I719-A744 HydrophobicContact CG1-CB 3.76Å
720	A	72.2	Confident	79.4	Confident	12 Å²	12	40.6 Å²	40.6	10%	0.099	22%	0.223	C	C	.	.	H	α-helix	trans	-58.4	-46.6	175.3	0	0	0	0	0	110.8	F403 P716 L722 L723 L724	F403-A720 HydrophobicContact CE1-CB 4.09Å; P716-A720 WeakPolarHBondContact O-CB 3.46Å; P716-A720 PolarHBondContact O-N 3.31Å; A720-L722 VanDerWaalsContact C-N 3.28Å; A720-L722 PolarHBondContact O-N 2.98Å; A720-L723 PolarHBondContact O-N 2.99Å; A720-L724 HydrophobicContact CB-CD1 3.9Å; A720-L724 HydrophobicContact CB-CG 4.39Å; A720-L724 WeakPolarHBondContact O-CA 3.36Å; A720-L724 WeakPolarHBondContact O-CB 3.41Å; A720-L724 WeakPolarHBondContact O-CG 3.33Å; A720-L724 PolarHBondContact O-N 3.35Å
721	G	70.5	Confident	79.5	Confident	38 Å²	38	44.8 Å²	44.8	39%	0.392	24%	0.24	S	C	.	.	H	α-helix	trans	-62.6	-30	175.6	0	0	0	0	0	114	L717 V718 I719 T725	L717-G721 PolarHBondContact O-N 3.38Å; V718-G721 PolarHBondContact O-N 3.48Å; I719-G721 VanDerWaalsContact C-N 3.33Å; I719-G721 PolarHBondContact O-N 3.35Å; G721-T725 WeakPolarHBondContact O-CG2 3.35Å; G721-T725 PolarHBondContact O-OG1 3.02Å
722	L	77.1	Confident	79.4	Confident	53 Å²	53	45.7 Å²	45.7	28%	0.277	25%	0.245	S	C	.	.	H	α-helix	trans	-82	-40	177.4	-71.8	169.8	0	0	0	112.8	V718 I719 A720 A744 I747	V718-L722 HydrophobicContact CG1-CD1 3.9Å; V718-L722 HydrophobicContact CG1-CG 4.45Å; V718-L722 WeakPolarHBondContact O-CB 3.29Å; V718-L722 VanDerWaalsContact O-CG 3.25Å; V718-L722 WeakPolarHBondContact O-CG 2.94Å; V718-L722 PolarHBondContact O-N 3.35Å; I719-L722 PolarHBondContact O-N 3.43Å; I719-L722 VanDerWaalsContact O-N 3.14Å; A720-L722 VanDerWaalsContact C-N 3.28Å; A720-L722 PolarHBondContact O-N 2.98Å; L722-A744 HydrophobicContact CD1-CB 4.12Å; L722-I747 HydrophobicContact CD1-CD1 4Å; L722-I747 HydrophobicContact CD2-CD1 3.94Å; L722-I747 HydrophobicContact CG-CD1 4.49Å
723	L	72.9	Confident	79.4	Confident	4 Å²	4	47.9 Å²	47.9	2%	0.021	26%	0.258	C	S	.	.	H	α-helix	trans	-96.9	-28.4	-171	-65.2	179.9	0	0	0	113.7	T400 F403 A404 N407 I719 A720 L726 F730	T400-L723 HydrophobicContact CG2-CD1 4.43Å; F403-L723 HydrophobicContact CB-CD1 3.66Å; A404-L723 HydrophobicContact CB-CD1 4.34Å; N407-L723 PolarHBondContact ND2-O 3.19Å; I719-L723 HydrophobicContact CG2-CD1 3.72Å; I719-L723 HydrophobicContact CG2-CG 4.36Å; I719-L723 WeakPolarHBondContact O-CB 3.49Å; I719-L723 PolarHBondContact O-N 3.4Å; A720-L723 PolarHBondContact O-N 2.99Å; L723-L726 HydrophobicContact CD2-CD1 4.21Å; L723-F730 HydrophobicContact CD2-CD2 3.94Å; L723-F730 HydrophobicContact CD2-CE2 3.93Å
724	L	70.1	Confident	79.7	Confident	73 Å²	73	49.2 Å²	49.2	38%	0.382	27%	0.265	S	S	.	.	S	Bend	trans	-90.8	-15.9	-179	-54.4	-178.7	0	0	0	112.9	A720 L726	A720-L724 HydrophobicContact CB-CD1 3.9Å; A720-L724 HydrophobicContact CB-CG 4.39Å; A720-L724 WeakPolarHBondContact O-CA 3.36Å; A720-L724 WeakPolarHBondContact O-CB 3.41Å; A720-L724 WeakPolarHBondContact O-CG 3.33Å; A720-L724 PolarHBondContact O-N 3.35Å; L724-L726 VanDerWaalsContact C-N 3.28Å
725	T	70.8	Confident	80	Confident	102 Å²	102	55.4 Å²	55.4	63%	0.626	30%	0.296	S	S	*	.	S	Bend	trans	-85.5	-1.5	170.9	67.4	0	0	0	0	112.9	G721 R727	G721-T725 WeakPolarHBondContact O-CG2 3.35Å; G721-T725 PolarHBondContact O-OG1 3.02Å; T725-R727 PolarHBondContact O-N 2.94Å
726	L	73.2	Confident	80.3	Confident	74 Å²	74	57.3 Å²	57.3	39%	0.387	31%	0.307	S	S	.	.			trans	-62	129.2	175.5	-66.5	176.1	0	0	0	109.1	L723 L724 D728 F730	L723-L726 HydrophobicContact CD2-CD1 4.21Å; L724-L726 VanDerWaalsContact C-N 3.28Å; L726-D728 VanDerWaalsContact C-N 3.31Å; L726-D728 WeakPolarHBondContact CB-O 3.28Å; L726-F730 HydrophobicContact CD1-CB 4.48Å; L726-F730 HydrophobicContact CD1-CD2 4.13Å
727	R	76.3	Confident	80.6	Confident	151 Å²	151	57.6 Å²	57.6	57%	0.57	31%	0.309	S	S	*	.	S	Bend	trans	-83.1	-15.2	175.8	-65.7	-178.9	177.2	179.3	-2.2	112.7	L182 T725	L182-R727 WeakPolarHBondContact CD1-O 3.2Å; T725-R727 PolarHBondContact O-N 2.94Å
728	D	79.7	Confident	81.2	Confident	128 Å²	128	57.9 Å²	57.9	68%	0.684	31%	0.312	S	S	*	.	S	Bend	trans	-118.5	163.9	177	-65.1	-47.4	0	0	0	110.1	L726	L726-D728 VanDerWaalsContact C-N 3.31Å; L726-D728 WeakPolarHBondContact CB-O 3.28Å
729	T	81.7	Confident	81.8	Confident	38 Å²	38	64.9 Å²	64.9	23%	0.233	34%	0.338	C	S	.	.			trans	-68.5	151.8	175.2	46.5	0	0	0	0	112	I180 D409	I180-T729 HydrophobicContact CB-CG2 3.74Å; I180-T729 HydrophobicContact CD1-CG2 4.43Å; I180-T729 HydrophobicContact CG2-CG2 3.6Å; D409-T729 WeakPolarHBondContact CB-OG1 3.27Å
730	F	83.8	Confident	82.3	Confident	9 Å²	9	66.1 Å²	66.1	4%	0.039	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-86.7	122.4	177.3	-173.8	-88.8	0	0	0	110.7	A404 N407 L408 D409 L723 L726 L732 N736 N740	A404-F730 HydrophobicContact CB-CD1 3.97Å; A404-F730 HydrophobicContact CB-CE1 3.83Å; A404-F730 HydrophobicContact CB-CZ 4.26Å; N407-F730 WeakPolarHBondContact O-CB 3.44Å; N407-F730 PolarHBondContact O-N 2.88Å; L408-F730 WeakPolarHBondContact CA-O 3.48Å; L408-F730 HydrophobicContact CD2-CB 4.38Å; L408-F730 HydrophobicContact CD2-CD1 3.59Å; L408-F730 HydrophobicContact CD2-CE1 4.42Å; L408-F730 HydrophobicContact CD2-CG 4.44Å; L408-F730 WeakPolarHBondContact CD2-O 3.12Å; D409-F730 PolarHBondContact N-O 3.33Å; L723-F730 HydrophobicContact CD2-CD2 3.94Å; L723-F730 HydrophobicContact CD2-CE2 3.93Å; L726-F730 HydrophobicContact CD1-CB 4.48Å; L726-F730 HydrophobicContact CD1-CD2 4.13Å; F730-L732 HydrophobicContact CE1-CD1 4.15Å; F730-N736 VanDerWaalsContact CE2-ND2 3.32Å; F730-N736 WeakPolarHBondContact CE2-ND2 3.11Å; F730-N736 HydrophobicContact CZ-CB 4.47Å; F730-N736 VanDerWaalsContact CZ-ND2 3.28Å; F730-N736 WeakPolarHBondContact CZ-ND2 3.14Å; F730-N740 WeakPolarHBondContact CE2-ND2 3.41Å
731	H	88.3	Confident	83.2	Confident	96 Å²	96	65.6 Å²	65.6	44%	0.444	34%	0.34	S	S	.	.			trans	-87.1	114.5	173.7	-165	61.9	0	0	0	111.4	D409 N410 T733 N736	D409-H731 VanDerWaalsContact OD1-CA 3.3Å; D409-H731 WeakPolarHBondContact OD1-CA 3.03Å; D409-H731 IonicContact OD1-CE1 3.88Å; D409-H731 IonicContact OD1-CG 3.7Å; D409-H731 IonicContact OD1-ND1 2.79Å; D409-H731 PolarHBondContact OD1-ND1 2.62Å; D409-H731 IonicContact OD2-CG 3.83Å; D409-H731 IonicContact OD2-ND1 3.44Å; D409-H731 PolarHBondContact OD2-ND1 3.48Å; N410-H731 PolarHBondContact ND2-CE1 2.82Å; H731-T733 PolarHBondContact O-N 3.48Å; H731-N736 PolarHBondContact O-ND2 3.3Å
732	L	86.7	Confident	84.4	Confident	19 Å²	19	68.3 Å²	68.3	10%	0.099	35%	0.345	C	S	.	.			trans	-74.7	114	-178.3	-169.4	75.4	0	0	0	110.5	L408 N410 M417 F730 T737	L408-L732 HydrophobicContact CD1-CB 4.31Å; L408-L732 HydrophobicContact CD1-CD2 4.27Å; L408-L732 HydrophobicContact CD2-CB 3.8Å; L408-L732 HydrophobicContact CD2-CD1 4.31Å; N410-L732 PolarHBondContact ND2-O 3.29Å; N410-L732 VanDerWaalsContact OD1-CB 3.25Å; N410-L732 WeakPolarHBondContact OD1-CB 3.03Å; N410-L732 PolarHBondContact OD1-N 3.35Å; M417-L732 HydrophobicContact SD-CD2 3.86Å; M417-L732 HydrophobicContact SD-CG 4.19Å; F730-L732 HydrophobicContact CE1-CD1 4.15Å; L732-T737 WeakPolarHBondContact CD1-OG1 3.41Å
733	T	89.8	Confident	85.3	Confident	53 Å²	53	67.2 Å²	67.2	33%	0.325	34%	0.342	S	S	.	.			trans	-143.1	154.9	168.1	62.5	0	0	0	0	109.1	H731 L735 N736 T737	H731-T733 PolarHBondContact O-N 3.48Å; T733-L735 PolarHBondContact O-N 3.48Å; T733-N736 PolarHBondContact O-N 3.16Å; T733-N736 WeakPolarHBondContact OG1-CB 3.25Å; T733-N736 PolarHBondContact OG1-N 3.24Å; T733-N736 VanDerWaalsContact OG1-N 3.12Å; T733-T737 WeakPolarHBondContact O-CB 3.49Å; T733-T737 PolarHBondContact O-N 3.41Å; T733-T737 PolarHBondContact O-OG1 3.48Å
734	I	88.7	Confident	86.2	Confident	91 Å²	91	67.1 Å²	67.1	47%	0.467	34%	0.341	S	S	.	.	H	α-helix	trans	-53.8	-43.2	177.9	-63.5	169.5	0	0	0	111	M417 T738	M417-I734 HydrophobicContact CE-CD1 4.37Å; M417-I734 HydrophobicContact CE-CG1 3.44Å; M417-I734 VanDerWaalsContact CE-CG1 3.44Å; I734-T738 VanDerWaalsContact O-CB 3.24Å; I734-T738 WeakPolarHBondContact O-CB 3.14Å; I734-T738 PolarHBondContact O-N 2.62Å; I734-T738 PolarHBondContact O-OG1 3.46Å
735	L	91.1	Very high	87.4	Confident	145 Å²	145	64.5 Å²	64.5	76%	0.759	33%	0.329	S	S	*	.	H	α-helix	trans	-68.8	-47.1	-179.1	-70.1	174.2	0	0	0	112.4	T733 T737 T738 Y739	T733-L735 PolarHBondContact O-N 3.48Å; L735-T737 PolarHBondContact O-N 2.79Å; L735-T738 PolarHBondContact O-N 2.83Å; L735-Y739 WeakPolarHBondContact O-CB 3.41Å; L735-Y739 PolarHBondContact O-N 3.32Å
736	N	90.4	Very high	88.6	Confident	50 Å²	50	64.1 Å²	64.1	27%	0.267	32%	0.322	S	S	.	.	H	α-helix	trans	-64.3	-42	-179.7	-168.7	31.6	0	0	0	111.3	F730 H731 T733 Y739 N740	F730-N736 VanDerWaalsContact CE2-ND2 3.32Å; F730-N736 WeakPolarHBondContact CE2-ND2 3.11Å; F730-N736 HydrophobicContact CZ-CB 4.47Å; F730-N736 VanDerWaalsContact CZ-ND2 3.28Å; F730-N736 WeakPolarHBondContact CZ-ND2 3.14Å; H731-N736 PolarHBondContact O-ND2 3.3Å; T733-N736 PolarHBondContact O-N 3.16Å; T733-N736 WeakPolarHBondContact OG1-CB 3.25Å; T733-N736 PolarHBondContact OG1-N 3.24Å; T733-N736 VanDerWaalsContact OG1-N 3.12Å; N736-Y739 PolarHBondContact O-N 2.93Å; N736-N740 PolarHBondContact O-N 2.75Å; N736-N740 PolarHBondContact O-ND2 3.47Å; N736-N740 PolarHBondContact OD1-ND2 3.16Å
737	T	88.8	Confident	89.4	Confident	8 Å²	8	63.2 Å²	63.2	5%	0.049	32%	0.317	C	S	.	.	H	α-helix	trans	-64.8	-41.2	175.6	-56.2	0	0	0	0	111.8	F397 C401 L732 T733 L735 N740 G741	F397-T737 HydrophobicContact CE2-CG2 4.4Å; F397-T737 HydrophobicContact CZ-CG2 4.39Å; C401-T737 WeakPolarHBondContact SG-CG2 3.24Å; L732-T737 WeakPolarHBondContact CD1-OG1 3.41Å; T733-T737 WeakPolarHBondContact O-CB 3.49Å; T733-T737 PolarHBondContact O-N 3.41Å; T733-T737 PolarHBondContact O-OG1 3.48Å; L735-T737 PolarHBondContact O-N 2.79Å; T737-N740 PolarHBondContact O-N 2.78Å; T737-G741 PolarHBondContact O-N 2.68Å
738	T	91.3	Very high	90.1	Very high	54 Å²	54	56 Å²	56	33%	0.331	29%	0.29	S	S	.	.	H	α-helix	trans	-63.9	-45.4	176.2	-57.9	0	0	0	0	111.5	I734 L735 N740 G741 I742	I734-T738 VanDerWaalsContact O-CB 3.24Å; I734-T738 WeakPolarHBondContact O-CB 3.14Å; I734-T738 PolarHBondContact O-N 2.62Å; I734-T738 PolarHBondContact O-OG1 3.46Å; L735-T738 PolarHBondContact O-N 2.83Å; T738-N740 PolarHBondContact O-N 3.34Å; T738-G741 PolarHBondContact O-N 3.47Å; T738-I742 HydrophobicContact CG2-CD1 3.87Å; T738-I742 VanDerWaalsContact O-CG1 3.29Å; T738-I742 WeakPolarHBondContact O-CG1 3.01Å; T738-I742 PolarHBondContact O-N 2.88Å
739	Y	93.2	Very high	90.8	Very high	163 Å²	163	50.7 Å²	50.7	64%	0.639	26%	0.26	S	S	*	.	H	α-helix	trans	-58.6	-48.2	176.7	172.4	-101.1	0	0	0	111.8	L735 N736 I742 S743	L735-Y739 WeakPolarHBondContact O-CB 3.41Å; L735-Y739 PolarHBondContact O-N 3.32Å; N736-Y739 PolarHBondContact O-N 2.93Å; Y739-I742 PolarHBondContact O-N 2.78Å; Y739-S743 WeakPolarHBondContact O-CB 3.34Å; Y739-S743 PolarHBondContact O-N 2.69Å
740	N	91	Very high	91.2	Very high	27 Å²	27	53.9 Å²	53.9	14%	0.144	28%	0.275	C	S	.	.	H	α-helix	trans	-67.8	-38	179.1	-77.8	-75	0	0	0	112.5	T400 F730 N736 T737 T738 S743 A744	T400-N740 HydrophobicContact CG2-CB 4.05Å; F730-N740 WeakPolarHBondContact CE2-ND2 3.41Å; N736-N740 PolarHBondContact O-N 2.75Å; N736-N740 PolarHBondContact O-ND2 3.47Å; N736-N740 PolarHBondContact OD1-ND2 3.16Å; T737-N740 PolarHBondContact O-N 2.78Å; T738-N740 PolarHBondContact O-N 3.34Å; N740-S743 PolarHBondContact O-N 2.69Å; N740-A744 VanDerWaalsContact O-CB 3.3Å; N740-A744 WeakPolarHBondContact O-CB 3.36Å; N740-A744 PolarHBondContact O-N 3.25Å
741	G	92.8	Very high	91.3	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.01	29%	0.288	C	S	.	.	H	α-helix	trans	-64.8	-39.9	176.7	0	0	0	0	0	113.1	T737 T738 T745	T737-G741 PolarHBondContact O-N 2.68Å; T738-G741 PolarHBondContact O-N 3.47Å; G741-T745 WeakPolarHBondContact O-CB 3.22Å; G741-T745 PolarHBondContact O-N 3.5Å; G741-T745 PolarHBondContact O-OG1 3.2Å
742	I	95.3	Very high	91.3	Very high	96 Å²	96	51.4 Å²	51.4	49%	0.492	27%	0.267	S	S	.	.	H	α-helix	trans	-65.9	-45.8	173.3	-67.3	168.5	0	0	0	110.2	T738 Y739 T745 I746	T738-I742 HydrophobicContact CG2-CD1 3.87Å; T738-I742 VanDerWaalsContact O-CG1 3.29Å; T738-I742 WeakPolarHBondContact O-CG1 3.01Å; T738-I742 PolarHBondContact O-N 2.88Å; Y739-I742 PolarHBondContact O-N 2.78Å; I742-T745 WeakPolarHBondContact O-CB 3.13Å; I742-T745 PolarHBondContact O-N 2.76Å; I742-I746 HydrophobicContact CG2-CD1 3.73Å; I742-I746 HydrophobicContact CG2-CG1 4.42Å; I742-I746 WeakPolarHBondContact O-CG1 3.37Å; I742-I746 PolarHBondContact O-N 3.14Å
743	S	94.6	Very high	91.4	Very high	30 Å²	30	53.8 Å²	53.8	21%	0.21	28%	0.277	C	S	.	.	H	α-helix	trans	-58.3	-50.5	177.6	-175.1	0	0	0	0	111.8	Y739 N740 T745 I746 I747	Y739-S743 WeakPolarHBondContact O-CB 3.34Å; Y739-S743 PolarHBondContact O-N 2.69Å; N740-S743 PolarHBondContact O-N 2.69Å; S743-T745 VanDerWaalsContact C-N 3.3Å; S743-T745 PolarHBondContact O-N 3.03Å; S743-I746 PolarHBondContact O-N 3.37Å; S743-I747 WeakPolarHBondContact O-CG1 3.45Å; S743-I747 PolarHBondContact O-N 3.25Å
744	A	92.1	Very high	91.1	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.008	29%	0.286	C	S	.	.	H	α-helix	trans	-59.5	-40.4	177.4	0	0	0	0	0	112	I396 I719 L722 N740 S748	I396-A744 HydrophobicContact CG2-CB 4.04Å; I719-A744 HydrophobicContact CG1-CB 3.76Å; L722-A744 HydrophobicContact CD1-CB 4.12Å; N740-A744 VanDerWaalsContact O-CB 3.3Å; N740-A744 WeakPolarHBondContact O-CB 3.36Å; N740-A744 PolarHBondContact O-N 3.25Å; A744-S748 WeakPolarHBondContact O-CB 2.87Å; A744-S748 PolarHBondContact O-N 3.27Å; A744-S748 PolarHBondContact O-OG 2.69Å
745	T	95.4	Very high	90.8	Very high	19 Å²	19	53.9 Å²	53.9	12%	0.117	28%	0.279	C	S	.	.	H	α-helix	trans	-61.7	-52.1	175.6	-60.3	0	0	0	0	111	M393 I396 G741 I742 S743 I747 S748 Y749	M393-T745 HydrophobicContact CG-CG2 3.85Å; I396-T745 HydrophobicContact CD1-CG2 4.46Å; I396-T745 WeakPolarHBondContact CG2-OG1 3Å; G741-T745 WeakPolarHBondContact O-CB 3.22Å; G741-T745 PolarHBondContact O-N 3.5Å; G741-T745 PolarHBondContact O-OG1 3.2Å; I742-T745 WeakPolarHBondContact O-CB 3.13Å; I742-T745 PolarHBondContact O-N 2.76Å; S743-T745 VanDerWaalsContact C-N 3.3Å; S743-T745 PolarHBondContact O-N 3.03Å; T745-I747 PolarHBondContact O-N 3.12Å; T745-S748 PolarHBondContact O-N 3Å; T745-Y749 HydrophobicContact CG2-CD2 3.94Å; T745-Y749 HydrophobicContact CG2-CE2 3.96Å; T745-Y749 VanDerWaalsContact O-CD2 3.29Å; T745-Y749 WeakPolarHBondContact O-CD2 3.21Å; T745-Y749 PolarHBondContact O-N 3.39Å; T745-Y749 VanDerWaalsContact O-N 3.07Å
746	I	96	Very high	90.5	Very high	93 Å²	93	47.1 Å²	47.1	48%	0.477	24%	0.244	S	C	.	.	H	α-helix	trans	-60.5	-49.3	-178.4	-67.6	168.5	0	0	0	110.5	I742 S743 S748 Y749 L750	I742-I746 HydrophobicContact CG2-CD1 3.73Å; I742-I746 HydrophobicContact CG2-CG1 4.42Å; I742-I746 WeakPolarHBondContact O-CG1 3.37Å; I742-I746 PolarHBondContact O-N 3.14Å; S743-I746 PolarHBondContact O-N 3.37Å; I746-S748 VanDerWaalsContact C-N 3.34Å; I746-S748 PolarHBondContact O-N 2.95Å; I746-Y749 PolarHBondContact O-N 2.76Å; I746-L750 HydrophobicContact CG2-CD1 3.97Å; I746-L750 HydrophobicContact CG2-CG 4.42Å; I746-L750 WeakPolarHBondContact O-CG 3.05Å; I746-L750 PolarHBondContact O-N 2.55Å
747	I	90.6	Very high	90.2	Very high	55 Å²	55	46.3 Å²	46.3	28%	0.282	24%	0.239	S	C	.	.	H	α-helix	trans	-64.1	-40.9	-178.8	-64.4	167.9	0	0	0	110.5	V718 L722 S743 T745 Y749 L750 V751	V718-I747 HydrophobicContact CG1-CB 3.8Å; V718-I747 HydrophobicContact CG1-CG2 3.5Å; V718-I747 VanDerWaalsContact CG1-CG2 3.5Å; V718-I747 HydrophobicContact CG2-CG2 4.23Å; L722-I747 HydrophobicContact CD1-CD1 4Å; L722-I747 HydrophobicContact CD2-CD1 3.94Å; L722-I747 HydrophobicContact CG-CD1 4.49Å; S743-I747 WeakPolarHBondContact O-CG1 3.45Å; S743-I747 PolarHBondContact O-N 3.25Å; T745-I747 PolarHBondContact O-N 3.12Å; I747-Y749 VanDerWaalsContact C-N 3.34Å; I747-Y749 PolarHBondContact O-N 3.1Å; I747-L750 PolarHBondContact O-N 3.38Å; I747-L750 VanDerWaalsContact O-N 3.16Å; I747-V751 HydrophobicContact CG2-CG2 4.22Å; I747-V751 WeakPolarHBondContact O-CG2 3.41Å; I747-V751 PolarHBondContact O-N 2.75Å
748	S	90.5	Very high	89.7	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-60.2	-42.6	177.1	-61.7	0	0	0	0	112.3	H715 A744 T745 I746 A752	H715-S748 WeakPolarHBondContact CA-OG 3.01Å; H715-S748 WeakPolarHBondContact CB-OG 3.44Å; A744-S748 WeakPolarHBondContact O-CB 2.87Å; A744-S748 PolarHBondContact O-N 3.27Å; A744-S748 PolarHBondContact O-OG 2.69Å; T745-S748 PolarHBondContact O-N 3Å; I746-S748 VanDerWaalsContact C-N 3.34Å; I746-S748 PolarHBondContact O-N 2.95Å; S748-A752 WeakPolarHBondContact O-CB 3.34Å; S748-A752 PolarHBondContact O-N 3.12Å
749	Y	94	Very high	89.1	Confident	16 Å²	16	49.3 Å²	49.3	6%	0.063	25%	0.254	C	S	.	.	H	α-helix	trans	-70	-33.7	175.9	-84.5	-76.5	0	0	0	112.8	M393 L704 L707 A711 T745 I746 I747 F753	M393-Y749 HydrophobicContact CE-CE2 4.36Å; M393-Y749 HydrophobicContact CG-CE2 4.43Å; L704-Y749 HydrophobicContact CB-CE1 4.19Å; L704-Y749 HydrophobicContact CD2-CD1 3.78Å; L704-Y749 HydrophobicContact CD2-CE1 4.07Å; L704-Y749 HydrophobicContact CD2-CG 4.19Å; L704-Y749 WeakPolarHBondContact O-CE1 3.15Å; L707-Y749 HydrophobicContact CB-CD1 4Å; L707-Y749 HydrophobicContact CB-CE1 4.3Å; A711-Y749 HydrophobicContact CB-CD1 4.27Å; A711-Y749 HydrophobicContact CB-CE1 4.19Å; T745-Y749 HydrophobicContact CG2-CD2 3.94Å; T745-Y749 HydrophobicContact CG2-CE2 3.96Å; T745-Y749 VanDerWaalsContact O-CD2 3.29Å; T745-Y749 WeakPolarHBondContact O-CD2 3.21Å; T745-Y749 PolarHBondContact O-N 3.39Å; T745-Y749 VanDerWaalsContact O-N 3.07Å; I746-Y749 PolarHBondContact O-N 2.76Å; I747-Y749 VanDerWaalsContact C-N 3.34Å; I747-Y749 PolarHBondContact O-N 3.1Å; Y749-F753 WeakPolarHBondContact O-CB 3.07Å; Y749-F753 PolarHBondContact O-N 3.34Å
750	L	91	Very high	88.4	Confident	106 Å²	106	44 Å²	44	56%	0.555	24%	0.235	S	C	*	.	H	α-helix	trans	-66.6	-44.9	174.3	-71.1	173.7	0	0	0	111.7	I746 I747 F753 V754	I746-L750 HydrophobicContact CG2-CD1 3.97Å; I746-L750 HydrophobicContact CG2-CG 4.42Å; I746-L750 WeakPolarHBondContact O-CG 3.05Å; I746-L750 PolarHBondContact O-N 2.55Å; I747-L750 PolarHBondContact O-N 3.38Å; I747-L750 VanDerWaalsContact O-N 3.16Å; L750-F753 WeakPolarHBondContact O-CB 3.08Å; L750-F753 PolarHBondContact O-N 2.63Å; L750-V754 PolarHBondContact O-N 2.66Å; L750-V754 VanDerWaalsContact O-N 3.13Å
751	V	85.4	Confident	88	Confident	51 Å²	51	42.7 Å²	42.7	31%	0.309	23%	0.228	S	C	.	.	H	α-helix	trans	-67.2	-41.7	176.5	-178	0	0	0	0	110.5	V714 V718 I747 F753 V754 L755	V714-V751 HydrophobicContact CB-CG1 4.45Å; V714-V751 HydrophobicContact CG1-CB 4.43Å; V714-V751 HydrophobicContact CG1-CG1 3.77Å; V714-V751 HydrophobicContact CG2-CG1 4.29Å; V718-V751 HydrophobicContact CG2-CG2 4.35Å; I747-V751 HydrophobicContact CG2-CG2 4.22Å; I747-V751 WeakPolarHBondContact O-CG2 3.41Å; I747-V751 PolarHBondContact O-N 2.75Å; V751-F753 VanDerWaalsContact C-N 3.26Å; V751-F753 PolarHBondContact O-N 3.08Å; V751-V754 PolarHBondContact O-N 2.74Å; V751-V754 VanDerWaalsContact O-N 3.13Å; V751-L755 HydrophobicContact CG1-CD1 4.3Å; V751-L755 HydrophobicContact CG1-CG 4.37Å; V751-L755 WeakPolarHBondContact O-CG 3.38Å; V751-L755 PolarHBondContact O-N 2.73Å
752	A	88.2	Confident	87.4	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.008	23%	0.228	C	C	.	.	H	α-helix	trans	-58.9	-37.8	173.9	0	0	0	0	0	112.4	L707 A711 S748 L755 Y756	L707-A752 HydrophobicContact CB-CB 4.42Å; A711-A752 HydrophobicContact CB-CB 4.11Å; A711-A752 VanDerWaalsContact N-CB 3.32Å; S748-A752 WeakPolarHBondContact O-CB 3.34Å; S748-A752 PolarHBondContact O-N 3.12Å; A752-L755 PolarHBondContact O-N 3.36Å; A752-Y756 VanDerWaalsContact O-CB 3.31Å; A752-Y756 WeakPolarHBondContact O-CB 3.27Å; A752-Y756 PolarHBondContact O-N 2.97Å
753	F	88.8	Confident	86.6	Confident	70 Å²	70	42.7 Å²	42.7	31%	0.307	23%	0.228	S	C	.	.	H	α-helix	trans	-63	-44.2	174.4	177.2	-107.2	0	0	0	112.2	I370 L373 L707 Y749 L750 V751 Y756 L757	I370-F753 HydrophobicContact CD1-CZ 4.21Å; I370-F753 HydrophobicContact CG1-CE2 4.27Å; I370-F753 HydrophobicContact CG1-CZ 4.05Å; L373-F753 HydrophobicContact CD1-CD2 3.89Å; L373-F753 HydrophobicContact CD1-CE2 3.7Å; L707-F753 HydrophobicContact CD1-CB 3.92Å; L707-F753 HydrophobicContact CD1-CD2 4.1Å; L707-F753 HydrophobicContact CD1-CG 4.5Å; L707-F753 HydrophobicContact CD2-CB 4.32Å; L707-F753 HydrophobicContact CD2-CD2 4.4Å; Y749-F753 WeakPolarHBondContact O-CB 3.07Å; Y749-F753 PolarHBondContact O-N 3.34Å; L750-F753 WeakPolarHBondContact O-CB 3.08Å; L750-F753 PolarHBondContact O-N 2.63Å; V751-F753 VanDerWaalsContact C-N 3.26Å; V751-F753 PolarHBondContact O-N 3.08Å; F753-Y756 PolarHBondContact O-N 2.64Å; F753-L757 HydrophobicContact CD1-CD1 4.19Å; F753-L757 HydrophobicContact CE1-CD1 3.59Å; F753-L757 HydrophobicContact CE1-CG 4.46Å; F753-L757 HydrophobicContact CE2-CD1 4.18Å; F753-L757 HydrophobicContact CE2-CD2 4.48Å; F753-L757 HydrophobicContact CE2-CG 4.35Å; F753-L757 HydrophobicContact CZ-CD1 3.59Å; F753-L757 HydrophobicContact CZ-CG 4.25Å; F753-L757 WeakPolarHBondContact O-CG 3.41Å; F753-L757 PolarHBondContact O-N 3.28Å
754	V	84.9	Confident	85.8	Confident	83 Å²	83	42.6 Å²	42.6	50%	0.503	23%	0.225	S	C	.	.	H	α-helix	trans	-62.8	-47.2	175.5	176.3	0	0	0	0	110.8	L750 V751 Y756 L757 C758	L750-V754 PolarHBondContact O-N 2.66Å; L750-V754 VanDerWaalsContact O-N 3.13Å; V751-V754 PolarHBondContact O-N 2.74Å; V751-V754 VanDerWaalsContact O-N 3.13Å; V754-Y756 VanDerWaalsContact C-N 3.29Å; V754-Y756 PolarHBondContact O-N 2.73Å; V754-L757 PolarHBondContact O-N 2.64Å; V754-L757 VanDerWaalsContact O-N 3.15Å; V754-C758 WeakPolarHBondContact O-CB 3.18Å; V754-C758 PolarHBondContact O-N 3.45Å; V754-C758 PolarHBondContact O-SG 2.71Å; V754-C758 VanDerWaalsContact O-SG 3.39Å
755	L	82.1	Confident	85.2	Confident	63 Å²	63	43.1 Å²	43.1	33%	0.33	23%	0.228	S	C	.	.	H	α-helix	trans	-60.5	-38.5	176.9	-69.3	178.1	0	0	0	112.2	V714 V751 A752 C758 I759 E760	V714-L755 HydrophobicContact CG2-CD1 3.48Å; V714-L755 VanDerWaalsContact CG2-CD1 3.48Å; V751-L755 HydrophobicContact CG1-CD1 4.3Å; V751-L755 HydrophobicContact CG1-CG 4.37Å; V751-L755 WeakPolarHBondContact O-CG 3.38Å; V751-L755 PolarHBondContact O-N 2.73Å; A752-L755 PolarHBondContact O-N 3.36Å; L755-C758 PolarHBondContact O-N 2.59Å; L755-I759 HydrophobicContact CD2-CD1 4.12Å; L755-I759 WeakPolarHBondContact O-CB 2.83Å; L755-I759 PolarHBondContact O-N 3.3Å; L755-E760 PolarHBondContact O-N 2.75Å
756	Y	84.3	Confident	84.3	Confident	3 Å²	3	44.6 Å²	44.6	1%	0.012	23%	0.234	C	C	.	.	I	π-helix	trans	-61.8	-45.3	175.3	179.4	-89.8	0	0	0	111.4	N369 L373 L707 A752 F753 V754 C758 E760 G761 L764	N369-Y756 HydrophobicContact CB-CE1 4.24Å; L373-Y756 HydrophobicContact CD1-CD1 3.87Å; L373-Y756 HydrophobicContact CD1-CE1 3.88Å; L373-Y756 HydrophobicContact CD2-CD1 3.77Å; L373-Y756 HydrophobicContact CD2-CD2 4.09Å; L373-Y756 HydrophobicContact CD2-CE1 3.46Å; L373-Y756 VanDerWaalsContact CD2-CE1 3.46Å; L373-Y756 HydrophobicContact CD2-CE2 3.79Å; L373-Y756 HydrophobicContact CD2-CG 4.08Å; L373-Y756 VanDerWaalsContact CD2-CZ 3.46Å; L373-Y756 HydrophobicContact CG-CD1 3.92Å; L373-Y756 HydrophobicContact CG-CE1 3.45Å; L373-Y756 VanDerWaalsContact CG-CE1 3.45Å; L707-Y756 HydrophobicContact CD2-CD2 4.31Å; L707-Y756 HydrophobicContact CD2-CG 3.9Å; A752-Y756 VanDerWaalsContact O-CB 3.31Å; A752-Y756 WeakPolarHBondContact O-CB 3.27Å; A752-Y756 PolarHBondContact O-N 2.97Å; F753-Y756 PolarHBondContact O-N 2.64Å; V754-Y756 VanDerWaalsContact C-N 3.29Å; V754-Y756 PolarHBondContact O-N 2.73Å; Y756-C758 PolarHBondContact O-N 3.39Å; Y756-E760 HydrophobicContact CD2-CB 3.82Å; Y756-E760 HydrophobicContact CD2-CG 4.06Å; Y756-E760 HydrophobicContact CE2-CB 4.33Å; Y756-E760 HydrophobicContact CE2-CG 4.22Å; Y756-E760 HydrophobicContact CG-CB 4.47Å; Y756-E760 PolarHBondContact O-N 3.44Å; Y756-G761 WeakPolarHBondContact O-CA 3.26Å; Y756-G761 PolarHBondContact O-N 2.6Å; Y756-L764 HydrophobicContact CE2-CD1 4.26Å
757	L	83.7	Confident	83.1	Confident	32 Å²	32	43.6 Å²	43.6	17%	0.168	23%	0.225	C	C	.	.	I	π-helix	trans	-68.3	-34.9	180	-66.3	-179.4	0	0	0	113	N369 I370 F753 V754 P762	N369-L757 HydrophobicContact CB-CD2 3.68Å; I370-L757 HydrophobicContact CG1-CD1 4.47Å; I370-L757 HydrophobicContact CG1-CD2 3.75Å; F753-L757 HydrophobicContact CD1-CD1 4.19Å; F753-L757 HydrophobicContact CE1-CD1 3.59Å; F753-L757 HydrophobicContact CE1-CG 4.46Å; F753-L757 HydrophobicContact CE2-CD1 4.18Å; F753-L757 HydrophobicContact CE2-CD2 4.48Å; F753-L757 HydrophobicContact CE2-CG 4.35Å; F753-L757 HydrophobicContact CZ-CD1 3.59Å; F753-L757 HydrophobicContact CZ-CG 4.25Å; F753-L757 WeakPolarHBondContact O-CG 3.41Å; F753-L757 PolarHBondContact O-N 3.28Å; V754-L757 PolarHBondContact O-N 2.64Å; V754-L757 VanDerWaalsContact O-N 3.15Å; L757-P762 VanDerWaalsContact O-CD 3.32Å; L757-P762 WeakPolarHBondContact O-CD 3.49Å; L757-P762 WeakPolarHBondContact O-CG 2.91Å
758	C	78.8	Confident	82.2	Confident	38 Å²	38	44.1 Å²	44.1	26%	0.257	23%	0.228	S	C	.	.	I	π-helix	trans	-85.3	-31.9	-175.9	-68.4	0	0	0	0	113.9	V301 V754 L755 Y756	V301-C758 HydrophobicContact CG1-CB 4.35Å; V754-C758 WeakPolarHBondContact O-CB 3.18Å; V754-C758 PolarHBondContact O-N 3.45Å; V754-C758 PolarHBondContact O-SG 2.71Å; V754-C758 VanDerWaalsContact O-SG 3.39Å; L755-C758 PolarHBondContact O-N 2.59Å; Y756-C758 PolarHBondContact O-N 3.39Å
759	I	79.2	Confident	81.1	Confident	88 Å²	88	49.2 Å²	49.2	45%	0.451	25%	0.247	S	C	.	.	I	π-helix	trans	-125.3	-64.4	-168.6	-55.9	177.4	0	0	0	110.8	L755 P762 I763	L755-I759 HydrophobicContact CD2-CD1 4.12Å; L755-I759 WeakPolarHBondContact O-CB 2.83Å; L755-I759 PolarHBondContact O-N 3.3Å; I759-P762 WeakPolarHBondContact O-CD 3.25Å; I759-I763 HydrophobicContact CG2-CD1 3.68Å; I759-I763 WeakPolarHBondContact O-CB 3.44Å; I759-I763 WeakPolarHBondContact O-CD1 3.13Å; I759-I763 WeakPolarHBondContact O-CG1 3.41Å; I759-I763 PolarHBondContact O-N 3.29Å; I759-I763 VanDerWaalsContact O-N 3.11Å
760	E	78.6	Confident	79.9	Confident	51 Å²	51	54.5 Å²	54.5	24%	0.238	27%	0.268	C	S	.	.	I	π-helix	trans	-66.9	-50.5	-169.4	-166.1	-176.4	157.5	0	0	112.4	L755 Y756 I763 L764	L755-E760 PolarHBondContact O-N 2.75Å; Y756-E760 HydrophobicContact CD2-CB 3.82Å; Y756-E760 HydrophobicContact CD2-CG 4.06Å; Y756-E760 HydrophobicContact CE2-CB 4.33Å; Y756-E760 HydrophobicContact CE2-CG 4.22Å; Y756-E760 HydrophobicContact CG-CB 4.47Å; Y756-E760 PolarHBondContact O-N 3.44Å; E760-I763 PolarHBondContact O-N 2.98Å; E760-L764 HydrophobicContact CG-CD1 3.91Å; E760-L764 HydrophobicContact CG-CG 4.26Å; E760-L764 WeakPolarHBondContact O-CB 3.01Å; E760-L764 WeakPolarHBondContact O-CG 3.43Å; E760-L764 PolarHBondContact O-N 2.75Å
761	G	80.7	Confident	78.5	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-55.4	-52	178.4	0	0	0	0	0	113.2	Y756 I763 L764 N765	Y756-G761 WeakPolarHBondContact O-CA 3.26Å; Y756-G761 PolarHBondContact O-N 2.6Å; G761-I763 PolarHBondContact O-N 2.78Å; G761-L764 PolarHBondContact O-N 3.27Å; G761-N765 VanDerWaalsContact O-CG 3.31Å; G761-N765 PolarHBondContact O-N 3.15Å; G761-N765 PolarHBondContact O-ND2 3.03Å
762	P	81.7	Confident	76.8	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-57.4	-46.3	174.7	-25	33	0	0	0	113.6	S363 F364 L757 I759 L764 N765 I766	S363-P762 WeakPolarHBondContact O-CA 3.16Å; F364-P762 HydrophobicContact CB-CG 4.48Å; F364-P762 HydrophobicContact CD1-CB 3.53Å; F364-P762 HydrophobicContact CD1-CG 3.3Å; F364-P762 HydrophobicContact CD2-CB 4.1Å; F364-P762 HydrophobicContact CE1-CB 3.43Å; F364-P762 VanDerWaalsContact CE1-CB 3.43Å; F364-P762 HydrophobicContact CE1-CG 3.54Å; F364-P762 HydrophobicContact CE2-CB 4.02Å; F364-P762 HydrophobicContact CG-CB 3.86Å; F364-P762 HydrophobicContact CG-CG 3.92Å; F364-P762 HydrophobicContact CZ-CB 3.68Å; F364-P762 HydrophobicContact CZ-CG 4.31Å; L757-P762 VanDerWaalsContact O-CD 3.32Å; L757-P762 WeakPolarHBondContact O-CD 3.49Å; L757-P762 WeakPolarHBondContact O-CG 2.91Å; I759-P762 WeakPolarHBondContact O-CD 3.25Å; P762-L764 VanDerWaalsContact C-N 3.34Å; P762-L764 PolarHBondContact O-N 3.49Å; P762-N765 PolarHBondContact O-N 3.2Å; P762-I766 VanDerWaalsContact O-CG1 3.23Å; P762-I766 WeakPolarHBondContact O-CG1 3.09Å; P762-I766 PolarHBondContact O-N 3.31Å
763	I	78.2	Confident	74.6	Confident	97 Å²	97	62.3 Å²	62.3	50%	0.497	31%	0.313	S	S	.	.	H	α-helix	trans	-63.1	-41.9	179	-68.4	169.3	0	0	0	110.8	I759 E760 G761 N765 I766 R767	I759-I763 HydrophobicContact CG2-CD1 3.68Å; I759-I763 WeakPolarHBondContact O-CB 3.44Å; I759-I763 WeakPolarHBondContact O-CD1 3.13Å; I759-I763 WeakPolarHBondContact O-CG1 3.41Å; I759-I763 PolarHBondContact O-N 3.29Å; I759-I763 VanDerWaalsContact O-N 3.11Å; E760-I763 PolarHBondContact O-N 2.98Å; G761-I763 PolarHBondContact O-N 2.78Å; I763-N765 VanDerWaalsContact C-N 3.35Å; I763-N765 PolarHBondContact O-N 3.34Å; I763-I766 PolarHBondContact O-N 2.84Å; I763-R767 VanDerWaalsContact O-CB 3.32Å; I763-R767 WeakPolarHBondContact O-CB 2.98Å; I763-R767 PolarHBondContact O-N 3.47Å
764	L	77	Confident	72.2	Confident	27 Å²	27	67.3 Å²	67.3	14%	0.141	34%	0.337	C	S	.	.	H	α-helix	trans	-63.2	-39.5	176.8	-70.4	173	0	0	0	112.2	Y756 E760 G761 P762 R767 D768	Y756-L764 HydrophobicContact CE2-CD1 4.26Å; E760-L764 HydrophobicContact CG-CD1 3.91Å; E760-L764 HydrophobicContact CG-CG 4.26Å; E760-L764 WeakPolarHBondContact O-CB 3.01Å; E760-L764 WeakPolarHBondContact O-CG 3.43Å; E760-L764 PolarHBondContact O-N 2.75Å; G761-L764 PolarHBondContact O-N 3.27Å; P762-L764 VanDerWaalsContact C-N 3.34Å; P762-L764 PolarHBondContact O-N 3.49Å; L764-R767 VanDerWaalsContact CD2-CZ 3.48Å; L764-R767 VanDerWaalsContact CD2-NH1 3.27Å; L764-R767 PolarHBondContact O-N 3.13Å; L764-D768 WeakPolarHBondContact O-CB 3.37Å; L764-D768 PolarHBondContact O-N 3.47Å
765	N	79.4	Confident	69.8	Low	13 Å²	13	72.8 Å²	72.8	7%	0.07	35%	0.354	C	S	.	.	H	α-helix	trans	-70.2	-39.7	177.3	-70.4	-20.1	0	0	0	112.2	S363 N369 R372 G761 P762 I763 D768 R769	S363-N765 PolarHBondContact O-ND2 2.66Å; N369-N765 PolarHBondContact OD1-ND2 2.69Å; R372-N765 PolarHBondContact NH1-OD1 2.97Å; G761-N765 VanDerWaalsContact O-CG 3.31Å; G761-N765 PolarHBondContact O-N 3.15Å; G761-N765 PolarHBondContact O-ND2 3.03Å; P762-N765 PolarHBondContact O-N 3.2Å; I763-N765 VanDerWaalsContact C-N 3.35Å; I763-N765 PolarHBondContact O-N 3.34Å; N765-D768 PolarHBondContact O-N 2.92Å; N765-R769 WeakPolarHBondContact O-CB 3.08Å; N765-R769 WeakPolarHBondContact O-CG 3.41Å; N765-R769 PolarHBondContact O-N 3.15Å; N765-R769 VanDerWaalsContact O-N 3.11Å
766	I	76.8	Confident	67.2	Low	50 Å²	50	75.8 Å²	75.8	26%	0.256	37%	0.374	S	S	.	.	H	α-helix	trans	-61.7	-48.1	173.4	-68.9	167.4	0	0	0	109.3	P762 I763 D768 R769 Y770	P762-I766 VanDerWaalsContact O-CG1 3.23Å; P762-I766 WeakPolarHBondContact O-CG1 3.09Å; P762-I766 PolarHBondContact O-N 3.31Å; I763-I766 PolarHBondContact O-N 2.84Å; I766-D768 PolarHBondContact O-N 3.46Å; I766-R769 PolarHBondContact O-N 3.44Å; I766-Y770 HydrophobicContact CG2-CD2 3.72Å; I766-Y770 HydrophobicContact CG2-CE2 4.12Å; I766-Y770 VanDerWaalsContact O-CD2 3.31Å; I766-Y770 WeakPolarHBondContact O-CD2 3.33Å; I766-Y770 PolarHBondContact O-N 3.4Å
767	R	71.5	Confident	64.6	Low	71 Å²	71	80.4 Å²	80.4	27%	0.268	41%	0.405	S	S	.	.	H	α-helix	trans	-56.5	-51.5	176.3	-176.6	-163	70.6	-163.3	-6.1	111.3	I763 L764 R769 Y770 L771 G772	I763-R767 VanDerWaalsContact O-CB 3.32Å; I763-R767 WeakPolarHBondContact O-CB 2.98Å; I763-R767 PolarHBondContact O-N 3.47Å; L764-R767 VanDerWaalsContact CD2-CZ 3.48Å; L764-R767 VanDerWaalsContact CD2-NH1 3.27Å; L764-R767 PolarHBondContact O-N 3.13Å; R767-R769 PolarHBondContact O-N 3.36Å; R767-Y770 PolarHBondContact O-N 3.03Å; R767-L771 HydrophobicContact CG-CB 4.12Å; R767-L771 HydrophobicContact CG-CD1 3.97Å; R767-L771 CarbonylContact O-C 3.52Å; R767-L771 VanDerWaalsContact O-CA 3.28Å; R767-L771 WeakPolarHBondContact O-CA 3.49Å; R767-L771 VanDerWaalsContact O-CB 3.28Å; R767-L771 WeakPolarHBondContact O-CB 3.39Å; R767-L771 PolarHBondContact O-N 3.48Å; R767-G772 PolarHBondContact O-N 3.42Å
768	D	70.8	Confident	62.1	Low	67 Å²	67	87.6 Å²	87.6	36%	0.358	44%	0.438	S	S	.	.	H	α-helix	trans	-67.4	-22.6	-175.7	-67	-8.2	0	0	0	112.8	R372 L764 N765 I766 G772	R372-D768 IonicContact CZ-OD2 3.27Å; R372-D768 IonicContact NH1-OD2 3.38Å; R372-D768 PolarHBondContact NH1-OD2 3.05Å; R372-D768 IonicContact NH2-OD2 2.84Å; R372-D768 PolarHBondContact NH2-OD2 3.39Å; L764-D768 WeakPolarHBondContact O-CB 3.37Å; L764-D768 PolarHBondContact O-N 3.47Å; N765-D768 PolarHBondContact O-N 2.92Å; I766-D768 PolarHBondContact O-N 3.46Å; D768-G772 WeakPolarHBondContact O-CA 3.35Å
769	R	68.8	Low	59.7	Low	107 Å²	107	97.1 Å²	97.1	40%	0.404	47%	0.468	S	S	.	.	H	α-helix	trans	-85.3	-43.6	175.8	-73	-175.6	-171.4	176.1	11.7	114	S359 N765 I766 R767	S359-R769 PolarHBondContact O-NH1 3.13Å; N765-R769 WeakPolarHBondContact O-CB 3.08Å; N765-R769 WeakPolarHBondContact O-CG 3.41Å; N765-R769 PolarHBondContact O-N 3.15Å; N765-R769 VanDerWaalsContact O-N 3.11Å; I766-R769 PolarHBondContact O-N 3.44Å; R767-R769 PolarHBondContact O-N 3.36Å
770	Y	68.6	Low	57.6	Low	126 Å²	126	98.8 Å²	98.8	49%	0.494	48%	0.483	S	S	.	.	H	α-helix	trans	-96.5	-30.5	-174.7	-66.3	-73.2	0	0	0	113.7	I766 R767	I766-Y770 HydrophobicContact CG2-CD2 3.72Å; I766-Y770 HydrophobicContact CG2-CE2 4.12Å; I766-Y770 VanDerWaalsContact O-CD2 3.31Å; I766-Y770 WeakPolarHBondContact O-CD2 3.33Å; I766-Y770 PolarHBondContact O-N 3.4Å; R767-Y770 PolarHBondContact O-N 3.03Å
771	L	60.4	Low	55.5	Low	129 Å²	129	101.3 Å²	101.3	68%	0.675	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108	-10.2	178.2	-65.8	168	0	0	0	112.6	R767 M773	R767-L771 HydrophobicContact CG-CB 4.12Å; R767-L771 HydrophobicContact CG-CD1 3.97Å; R767-L771 CarbonylContact O-C 3.52Å; R767-L771 VanDerWaalsContact O-CA 3.28Å; R767-L771 WeakPolarHBondContact O-CA 3.49Å; R767-L771 VanDerWaalsContact O-CB 3.28Å; R767-L771 WeakPolarHBondContact O-CB 3.39Å; R767-L771 PolarHBondContact O-N 3.48Å; L771-M773 VanDerWaalsContact C-N 3.35Å; L771-M773 PolarHBondContact O-N 3.49Å
772	G	50.9	Low	53.3	Low	34 Å²	34	108.7 Å²	108.7	35%	0.351	55%	0.545	S	S	.	.	S	Bend	trans	-62.1	102.3	166.2	0	0	0	0	0	107.3	R767 D768 E774	R767-G772 PolarHBondContact O-N 3.42Å; D768-G772 WeakPolarHBondContact O-CA 3.35Å; G772-E774 VanDerWaalsContact C-N 3.3Å; G772-E774 PolarHBondContact O-N 3.31Å
773	M	42.6	Very low	50.8	Low	159 Å²	159	119.9 Å²	119.9	78%	0.783	59%	0.587	S	S	*	*			trans	-51.6	109.7	157.6	-62.8	-166.7	-53.1	0	0	104.2	L771 K775	L771-M773 VanDerWaalsContact C-N 3.35Å; L771-M773 PolarHBondContact O-N 3.49Å; M773-K775 PolarHBondContact O-N 3.11Å
774	E	37.6	Very low	49.2	Very low	175 Å²	175	126 Å²	126	82%	0.818	62%	0.618	S	S	*	*			trans	-39.8	125.4	166.4	-82.2	-177.6	143.1	0	0	105.2	G772 V776	G772-E774 VanDerWaalsContact C-N 3.3Å; G772-E774 PolarHBondContact O-N 3.31Å; E774-V776 PolarHBondContact O-N 3.35Å
775	K	33.6	Very low	47.8	Very low	199 Å²	199	130.9 Å²	130.9	87%	0.865	64%	0.642	S	S	*	*			trans	-49.3	102.5	166	-73.9	177.9	178.4	176.9	0	103.4	M773 P777	M773-K775 PolarHBondContact O-N 3.11Å; K775-P777 VanDerWaalsContact C-N 3.3Å; K775-P777 WeakPolarHBondContact O-CD 3.3Å
776	V	29.3	Very low	46.1	Very low	125 Å²	125	137.1 Å²	137.1	76%	0.758	67%	0.672	S	S	*	*			trans	-50.4	110.7	172	173.8	0	0	0	0	101.5	E774 E778	E774-V776 PolarHBondContact O-N 3.35Å; V776-E778 PolarHBondContact O-N 3.08Å
777	P	28.8	Very low	44.4	Very low	101 Å²	101	141.9 Å²	141.9	66%	0.656	70%	0.695	S	S	*	*			trans	-54.4	119.9	179.9	18.8	-27.6	0	0	0	103	K775 R779	K775-P777 VanDerWaalsContact C-N 3.3Å; K775-P777 WeakPolarHBondContact O-CD 3.3Å; P777-R779 VanDerWaalsContact C-N 3.25Å; P777-R779 PolarHBondContact O-N 3.5Å
778	E	30.3	Very low	42.8	Very low	182 Å²	182	146.1 Å²	146.1	85%	0.85	72%	0.72	S	S	*	*			trans	-45.5	109.1	168.8	-82.2	179.5	157.3	0	0	103.1	V776 T780	V776-E778 PolarHBondContact O-N 3.08Å; E778-T780 PolarHBondContact O-N 3.02Å
779	R	29.8	Very low	41.1	Very low	239 Å²	239	151.1 Å²	151.1	90%	0.902	74%	0.743	S	S	*	*			trans	-58.7	95	173.5	-85.9	-178.2	175.3	179.7	-2	102.3	P777 S781	P777-R779 VanDerWaalsContact C-N 3.25Å; P777-R779 PolarHBondContact O-N 3.5Å; R779-S781 VanDerWaalsContact C-N 3.27Å; R779-S781 PolarHBondContact O-N 3.26Å
780	T	34.3	Very low	39.2	Very low	123 Å²	123	154 Å²	154	76%	0.755	77%	0.765	S	S	*	*			trans	-47.3	109.8	157.6	21.8	0	0	0	0	102.4	E778 L782	E778-T780 PolarHBondContact O-N 3.02Å; T780-L782 PolarHBondContact O-N 3.14Å
781	S	34.9	Very low	37.1	Very low	103 Å²	103	156 Å²	156	72%	0.72	79%	0.785	S	S	*	*			trans	-51.9	102	169.8	38.8	0	0	0	0	105.3	R779 R783	R779-S781 VanDerWaalsContact C-N 3.27Å; R779-S781 PolarHBondContact O-N 3.26Å; S781-R783 PolarHBondContact O-N 3.44Å
782	L	33.7	Very low	35.3	Very low	156 Å²	156	158.1 Å²	158.1	82%	0.817	79%	0.793	S	S	*	*			trans	-58.9	94.5	163.9	-94.7	149.2	0	0	0	104.5	T780 I784	T780-L782 PolarHBondContact O-N 3.14Å; L782-I784 VanDerWaalsContact C-N 3.3Å; L782-I784 PolarHBondContact O-N 3.07Å; L782-I784 VanDerWaalsContact O-N 3.15Å
783	R	28.8	Very low	34	Very low	235 Å²	235	168.4 Å²	168.4	89%	0.887	83%	0.83	S	S	*	*			trans	-65.6	98.2	156.1	-75	-176.7	-179.8	-179.2	-0.3	105.6	S781	S781-R783 PolarHBondContact O-N 3.44Å
784	I	44.9	Very low	33.3	Very low	224 Å²	224	169.3 Å²	169.3	100%	1.149	83%	0.834	S	S	*	*			trans	-102.4	0	136.6	-56.4	176	0	0	0	103.9	L782	L782-I784 VanDerWaalsContact C-N 3.3Å; L782-I784 PolarHBondContact O-N 3.07Å; L782-I784 VanDerWaalsContact O-N 3.15Å

Retrieved 784 of 784 residues in 287.3 ms (Link to these results)

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