A0A087XPX4_POEFO Loading...

DEP domain-containing protein

AlphaFold DB , UniProt , Accession A0A087XPX4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 544 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	32.6	Very low	37.7	Very low	244 Å²	244	141.4 Å²	141.4	100%	1.202	71%	0.71	S	S	*	*				0	66.9	0	-72.4	176.4	151.7	0	0	109.9
2	A	34.3	Very low	37.6	Very low	96 Å²	96	135.7 Å²	135.7	79%	0.793	68%	0.682	S	S	*	*			trans	-132.7	53.4	-168.9	0	0	0	0	0	111.4
3	V	31.7	Very low	37.7	Very low	132 Å²	132	133.3 Å²	133.3	80%	0.8	67%	0.673	S	S	*	*	S	Bend	trans	-121.8	-22	-174.7	-171.6	0	0	0	0	114.5
4	D	36.8	Very low	37.6	Very low	158 Å²	158	130.1 Å²	130.1	85%	0.845	67%	0.669	S	S	*	*			trans	-119.3	64.1	-177.4	-65.2	-35	0	0	0	113.8
5	L	38.8	Very low	37.5	Very low	102 Å²	102	131 Å²	131	53%	0.534	67%	0.669	S	S	.	*			trans	-117.8	124.9	165.4	-68	175.3	0	0	0	109.9	F9	L5-F9 HydrophobicContact CB-CB 4.01Å; L5-F9 HydrophobicContact CB-CD2 4.33Å; L5-F9 HydrophobicContact CB-CG 4.12Å; L5-F9 HydrophobicContact CD1-CD1 4.15Å; L5-F9 HydrophobicContact CD1-CG 4.33Å; L5-F9 HydrophobicContact CD2-CD1 4.11Å; L5-F9 HydrophobicContact CD2-CD2 3.92Å; L5-F9 HydrophobicContact CD2-CE1 4.12Å; L5-F9 HydrophobicContact CD2-CE2 3.94Å; L5-F9 HydrophobicContact CD2-CG 4.01Å; L5-F9 HydrophobicContact CD2-CZ 4.04Å; L5-F9 HydrophobicContact CG-CG 4.38Å
6	T	44	Very low	37.5	Very low	83 Å²	83	125 Å²	125	51%	0.509	64%	0.641	S	S	.	*			trans	-60.6	156.4	-178.9	52.7	0	0	0	0	111.8	R8 F9	T6-R8 PolarHBondContact O-N 3.41Å; T6-F9 PolarHBondContact O-N 2.89Å
7	P	34.8	Very low	37.3	Very low	114 Å²	114	129.5 Å²	129.5	74%	0.74	65%	0.648	S	S	*	*	H	α-helix	trans	-55.6	-18.7	-176.7	-25.5	33.3	0	0	0	115.3
8	R	42.8	Very low	37.1	Very low	177 Å²	177	126.6 Å²	126.6	67%	0.668	64%	0.642	S	S	*	*	H	α-helix	trans	-68	-33.1	175.1	-69.8	-169.5	-175.4	175.9	2.4	113.2	T6 R10 R11 L12 D69	T6-R8 PolarHBondContact O-N 3.41Å; R8-R10 PolarHBondContact O-N 3.13Å; R8-R11 PolarHBondContact O-N 2.93Å; R8-L12 PolarHBondContact O-N 3.27Å; R8-D69 IonicContact NH1-OD1 3.34Å
9	F	39.3	Very low	37	Very low	31 Å²	31	127.1 Å²	127.1	14%	0.136	64%	0.639	C	S	.	*	H	α-helix	trans	-62.6	-29.6	178.8	-98.1	-90.5	0	0	0	112.9	L5 T6	L5-F9 HydrophobicContact CB-CB 4.01Å; L5-F9 HydrophobicContact CB-CD2 4.33Å; L5-F9 HydrophobicContact CB-CG 4.12Å; L5-F9 HydrophobicContact CD1-CD1 4.15Å; L5-F9 HydrophobicContact CD1-CG 4.33Å; L5-F9 HydrophobicContact CD2-CD1 4.11Å; L5-F9 HydrophobicContact CD2-CD2 3.92Å; L5-F9 HydrophobicContact CD2-CE1 4.12Å; L5-F9 HydrophobicContact CD2-CE2 3.94Å; L5-F9 HydrophobicContact CD2-CG 4.01Å; L5-F9 HydrophobicContact CD2-CZ 4.04Å; L5-F9 HydrophobicContact CG-CG 4.38Å; T6-F9 PolarHBondContact O-N 2.89Å
10	R	41.4	Very low	37	Very low	210 Å²	210	131.4 Å²	131.4	79%	0.792	65%	0.647	S	S	*	*	H	α-helix	trans	-73.2	-27.3	178.5	-69.6	-174.2	-173.2	152.9	3.2	113.5	R8	R8-R10 PolarHBondContact O-N 3.13Å
11	R	38.3	Very low	36.8	Very low	208 Å²	208	133.5 Å²	133.5	79%	0.785	66%	0.656	S	S	*	*	H	α-helix	trans	-79.9	-29.4	176.8	-89.2	-172	-169.9	-152.8	1.9	113.6	R8 S14	R8-R11 PolarHBondContact O-N 2.93Å; R11-S14 PolarHBondContact O-OG 3.45Å
12	L	36.8	Very low	36.7	Very low	73 Å²	73	128.2 Å²	128.2	38%	0.382	63%	0.632	S	S	.	*	H	α-helix	trans	-71.1	-28.1	179.1	-91	140.3	0	0	0	113.2	R8 S14 Q15 T16	R8-L12 PolarHBondContact O-N 3.27Å; L12-S14 VanDerWaalsContact C-N 3.27Å; L12-S14 PolarHBondContact O-N 3.02Å; L12-Q15 PolarHBondContact O-N 2.98Å; L12-T16 PolarHBondContact O-N 3.46Å; L12-T16 PolarHBondContact O-OG1 3.41Å
13	N	37.8	Very low	36.7	Very low	105 Å²	105	128.8 Å²	128.8	56%	0.561	63%	0.626	S	S	*	*	H	α-helix	trans	-66.4	-24.7	177.8	-81.4	-5.3	0	0	0	113.9	T16	N13-T16 WeakPolarHBondContact CA-OG1 3.17Å; N13-T16 PolarHBondContact O-OG1 2.91Å
14	S	36.7	Very low	36.7	Very low	88 Å²	88	127.7 Å²	127.7	62%	0.615	62%	0.622	S	S	*	*	H	α-helix	trans	-78.5	-29.7	177.4	30.1	0	0	0	0	113.8	R11 L12	R11-S14 PolarHBondContact O-OG 3.45Å; L12-S14 VanDerWaalsContact C-N 3.27Å; L12-S14 PolarHBondContact O-N 3.02Å
15	Q	35.9	Very low	36.9	Very low	144 Å²	144	128.8 Å²	128.8	67%	0.673	62%	0.622	S	S	*	*	H	α-helix	trans	-85.7	-21.4	177.1	-76.7	-178.4	-18.2	0	0	113.1	L12 S18	L12-Q15 PolarHBondContact O-N 2.98Å; Q15-S18 PolarHBondContact O-OG 3.08Å
16	T	37.7	Very low	36.9	Very low	35 Å²	35	126.5 Å²	126.5	22%	0.215	62%	0.617	C	S	.	*	G	3₁₀ helix	trans	-85.3	-8.9	-178.8	41.7	0	0	0	0	113.9	L12 N13 S18 F19	L12-T16 PolarHBondContact O-N 3.46Å; L12-T16 PolarHBondContact O-OG1 3.41Å; N13-T16 WeakPolarHBondContact CA-OG1 3.17Å; N13-T16 PolarHBondContact O-OG1 2.91Å; T16-S18 VanDerWaalsContact C-N 3.26Å; T16-S18 PolarHBondContact O-N 3.24Å; T16-F19 PolarHBondContact O-N 2.9Å
17	R	35.2	Very low	36.6	Very low	202 Å²	202	129.2 Å²	129.2	76%	0.762	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-66.4	-26.8	175.2	-136.5	-179	-171.1	-174.2	1.7	112.5
18	S	32.8	Very low	37.2	Very low	77 Å²	77	128.4 Å²	128.4	54%	0.538	61%	0.614	S	S	.	*	G	3₁₀ helix	trans	-77.3	-16.3	176.7	64.8	0	0	0	0	114	Q15 T16 R20	Q15-S18 PolarHBondContact O-OG 3.08Å; T16-S18 VanDerWaalsContact C-N 3.26Å; T16-S18 PolarHBondContact O-N 3.24Å; S18-R20 VanDerWaalsContact C-N 3.35Å
19	F	35	Very low	37.3	Very low	136 Å²	136	125.6 Å²	125.6	60%	0.596	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-81.7	-13.6	175.6	-88.8	-83.2	0	0	0	113.5	T16 E21 N22 T23	T16-F19 PolarHBondContact O-N 2.9Å; F19-E21 PolarHBondContact O-N 3.05Å; F19-N22 PolarHBondContact O-N 2.94Å; F19-T23 PolarHBondContact O-OG1 3.2Å
20	R	36.9	Very low	37.6	Very low	212 Å²	212	133.2 Å²	133.2	80%	0.8	65%	0.649	S	S	*	*	G	3₁₀ helix	trans	-64.8	-23.4	175.4	-104.3	-174	178.9	-172.8	-0.4	113.3	S18	S18-R20 VanDerWaalsContact C-N 3.35Å
21	E	32.6	Very low	37.9	Very low	177 Å²	177	127.9 Å²	127.9	83%	0.827	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-88.9	-14.9	-178.1	-94.7	172.9	165.2	0	0	114.1	F19	F19-E21 PolarHBondContact O-N 3.05Å
22	N	31.9	Very low	38.8	Very low	132 Å²	132	123.3 Å²	123.3	71%	0.706	63%	0.628	S	S	*	*	S	Bend	trans	-121.5	14	-171.4	-75	-33.3	0	0	0	115.2	F19 P24	F19-N22 PolarHBondContact O-N 2.94Å; N22-P24 WeakPolarHBondContact O-CD 3.21Å
23	T	34.2	Very low	40.2	Very low	108 Å²	108	120.3 Å²	120.3	66%	0.663	61%	0.614	S	S	*	*			trans	-90.2	98.5	162.9	6	0	0	0	0	107.5	F19 H25	F19-T23 PolarHBondContact O-OG1 3.2Å; T23-H25 PolarHBondContact O-N 2.8Å
24	P	31.9	Very low	41.6	Very low	110 Å²	110	115.4 Å²	115.4	71%	0.714	59%	0.588	S	S	*	*			trans	-55.2	131.3	165.7	24.8	-31.1	0	0	0	106.2	N22 A26	N22-P24 WeakPolarHBondContact O-CD 3.21Å; P24-A26 VanDerWaalsContact C-N 3.31Å; P24-A26 PolarHBondContact O-N 3.36Å
25	H	40.5	Very low	43.4	Very low	181 Å²	181	112.2 Å²	112.2	84%	0.838	57%	0.565	S	S	*	*			trans	-43.8	100.1	172.5	-78.5	-79.2	0	0	0	108.4	T23 D27	T23-H25 PolarHBondContact O-N 2.8Å; H25-D27 PolarHBondContact O-N 3.12Å
26	A	38.5	Very low	45	Very low	53 Å²	53	108.6 Å²	108.6	44%	0.438	55%	0.548	S	S	.	.			trans	-73.2	107.3	-173.4	0	0	0	0	0	106.3	P24 F28	P24-A26 VanDerWaalsContact C-N 3.31Å; P24-A26 PolarHBondContact O-N 3.36Å; A26-F28 VanDerWaalsContact C-N 3.29Å; A26-F28 HydrophobicContact CB-CE2 4.13Å; A26-F28 HydrophobicContact CB-CZ 4.19Å; A26-F28 WeakPolarHBondContact O-CD2 3.34Å; A26-F28 WeakPolarHBondContact O-CE2 3.48Å; A26-F28 PolarHBondContact O-N 3.26Å
27	D	37.1	Very low	46.8	Very low	140 Å²	140	107 Å²	107	75%	0.749	54%	0.538	S	S	*	.			trans	-60.5	92.8	171.8	-70.8	-40.2	0	0	0	109	H25 S29	H25-D27 PolarHBondContact O-N 3.12Å; D27-S29 PolarHBondContact O-N 3.11Å
28	F	48.9	Very low	48.8	Very low	98 Å²	98	98.8 Å²	98.8	43%	0.43	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	17.5	176.5	-69	-79.6	0	0	0	113.3	A26 V83	A26-F28 VanDerWaalsContact C-N 3.29Å; A26-F28 HydrophobicContact CB-CE2 4.13Å; A26-F28 HydrophobicContact CB-CZ 4.19Å; A26-F28 WeakPolarHBondContact O-CD2 3.34Å; A26-F28 WeakPolarHBondContact O-CE2 3.48Å; A26-F28 PolarHBondContact O-N 3.26Å; F28-V83 HydrophobicContact CE1-CG2 4.11Å; F28-V83 HydrophobicContact CE2-CG2 3.95Å; F28-V83 HydrophobicContact CZ-CG2 3.72Å
29	S	43.8	Very low	50.9	Low	117 Å²	117	100.2 Å²	100.2	82%	0.818	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	15.2	-177.7	-170.7	0	0	0	0	113.6	D27	D27-S29 PolarHBondContact O-N 3.11Å
30	R	46.6	Very low	52.8	Low	191 Å²	191	97 Å²	97	72%	0.721	50%	0.495	S	S	*	.	S	Bend	trans	-94.4	151	172.8	-107.4	-175.8	-174.4	168.5	3.8	111.8
31	P	46.3	Very low	54.8	Low	98 Å²	98	87 Å²	87	64%	0.636	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	145	166.7	-18.6	30.3	0	0	0	110
32	F	58	Low	56.9	Low	113 Å²	113	79.7 Å²	79.7	50%	0.496	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	29.4	178.9	-44.7	-75.1	0	0	0	117.3	A34 T35 Q36 P183 D185	F32-A34 VanDerWaalsContact C-N 3.32Å; F32-A34 PolarHBondContact O-N 3.18Å; F32-T35 PolarHBondContact O-N 2.9Å; F32-Q36 PolarHBondContact O-N 3.03Å; F32-Q36 VanDerWaalsContact O-N 3.11Å; F32-P183 HydrophobicContact CE1-CB 4.24Å; F32-D185 VanDerWaalsContact CA-CG 3.48Å; F32-D185 WeakPolarHBondContact CA-OD1 3.31Å; F32-D185 WeakPolarHBondContact CA-OD2 3.43Å; F32-D185 HydrophobicContact CD1-CB 4.02Å
33	G	65.4	Low	58.9	Low	10 Å²	10	79.1 Å²	79.1	10%	0.103	42%	0.416	C	S	.	.	H	α-helix	trans	-60.8	-34.2	-177.4	0	0	0	0	0	114.4	Q36 L37 F201	G33-Q36 PolarHBondContact O-N 3.1Å; G33-L37 WeakPolarHBondContact O-CB 3.39Å; G33-L37 PolarHBondContact O-N 3.02Å; G33-L37 VanDerWaalsContact O-N 3.08Å; G33-F201 WeakPolarHBondContact O-CE1 3.44Å
34	A	68.9	Low	60.7	Low	1 Å²	1	74.2 Å²	74.2	1%	0.008	39%	0.387	C	S	.	.	H	α-helix	trans	-68.7	-39.1	177.3	0	0	0	0	0	111.9	F32 L37 W38 D185 V188 E189 F201	F32-A34 VanDerWaalsContact C-N 3.32Å; F32-A34 PolarHBondContact O-N 3.18Å; A34-L37 PolarHBondContact O-N 3.28Å; A34-W38 PolarHBondContact O-N 2.87Å; A34-D185 PolarHBondContact N-OD1 3.04Å; A34-V188 HydrophobicContact CB-CB 4.39Å; A34-V188 HydrophobicContact CB-CG1 4.04Å; A34-V188 WeakPolarHBondContact O-CG1 3.29Å; A34-E189 HydrophobicContact CB-CG 3.6Å; A34-F201 HydrophobicContact CB-CE2 3.93Å; A34-F201 HydrophobicContact CB-CZ 4.14Å
35	T	72.8	Confident	62.9	Low	22 Å²	22	69 Å²	69	14%	0.135	35%	0.353	C	S	.	.	H	α-helix	trans	-66.9	-40.2	176.4	-53.3	0	0	0	0	111.9	F32 W38 Q39 D185	F32-T35 PolarHBondContact O-N 2.9Å; T35-W38 WeakPolarHBondContact O-CB 3.42Å; T35-W38 PolarHBondContact O-N 3.05Å; T35-Q39 PolarHBondContact O-N 3.32Å; T35-Q39 PolarHBondContact O-OE1 3.21Å; T35-Q39 VanDerWaalsContact O-OE1 3.13Å; T35-D185 WeakPolarHBondContact CB-OD1 3.29Å; T35-D185 PolarHBondContact N-OD1 3.37Å; T35-D185 PolarHBondContact OG1-OD1 3.28Å
36	Q	71.1	Confident	64.3	Low	67 Å²	67	64.7 Å²	64.7	31%	0.313	33%	0.329	S	S	.	.	H	α-helix	trans	-63.8	-42.8	175	-71.4	-179	9	0	0	111.9	F32 G33 W38 Q39 N40	F32-Q36 PolarHBondContact O-N 3.03Å; F32-Q36 VanDerWaalsContact O-N 3.11Å; G33-Q36 PolarHBondContact O-N 3.1Å; Q36-W38 VanDerWaalsContact C-N 3.31Å; Q36-W38 PolarHBondContact O-N 3Å; Q36-Q39 PolarHBondContact O-N 3.14Å; Q36-N40 PolarHBondContact O-N 3.14Å; Q36-N40 PolarHBondContact O-ND2 2.96Å; Q36-N40 PolarHBondContact O-OD1 3.05Å
37	L	75	Confident	65.7	Low	3 Å²	3	65.9 Å²	65.9	2%	0.016	33%	0.331	C	S	.	.	H	α-helix	trans	-62.2	-41.1	176.5	-169.8	146.1	0	0	0	111.1	G33 A34 Q39 N40 I41 V83 F84 F192 A199 F201	G33-L37 WeakPolarHBondContact O-CB 3.39Å; G33-L37 PolarHBondContact O-N 3.02Å; G33-L37 VanDerWaalsContact O-N 3.08Å; A34-L37 PolarHBondContact O-N 3.28Å; L37-Q39 PolarHBondContact O-N 3.16Å; L37-N40 PolarHBondContact O-N 3.37Å; L37-I41 HydrophobicContact CD2-CD1 3.4Å; L37-I41 VanDerWaalsContact CD2-CD1 3.4Å; L37-I41 HydrophobicContact CD2-CG1 4.18Å; L37-I41 VanDerWaalsContact O-CG1 3.28Å; L37-I41 WeakPolarHBondContact O-CG1 3.48Å; L37-I41 PolarHBondContact O-N 3.39Å; L37-V83 HydrophobicContact CD1-CB 4.38Å; L37-V83 HydrophobicContact CD1-CG1 3.94Å; L37-F84 HydrophobicContact CD1-CE2 3.87Å; L37-F84 HydrophobicContact CD1-CZ 3.83Å; L37-F84 HydrophobicContact CD2-CE2 4.04Å; L37-F84 HydrophobicContact CD2-CZ 3.66Å; L37-F84 HydrophobicContact CG-CE2 4.42Å; L37-F84 HydrophobicContact CG-CZ 4.36Å; L37-F192 HydrophobicContact CD2-CE1 4.04Å; L37-F192 HydrophobicContact CD2-CE2 3.93Å; L37-F192 HydrophobicContact CD2-CZ 3.44Å; L37-F192 VanDerWaalsContact CD2-CZ 3.44Å; L37-A199 HydrophobicContact CD1-CB 4.27Å; L37-F201 HydrophobicContact CB-CE1 4.4Å; L37-F201 HydrophobicContact CB-CZ 3.82Å; L37-F201 HydrophobicContact CD1-CE1 4.16Å; L37-F201 HydrophobicContact CD1-CZ 3.64Å; L37-F201 HydrophobicContact CG-CZ 4.23Å
38	W	77.1	Confident	66.9	Low	28 Å²	28	61.9 Å²	61.9	11%	0.106	31%	0.308	C	S	.	.	H	α-helix	trans	-59.1	-43.9	173	-179.6	-95	0	0	0	112.7	A34 T35 Q36 I41 I42 L97 A100 L101 A104 V188 F192	A34-W38 PolarHBondContact O-N 2.87Å; T35-W38 WeakPolarHBondContact O-CB 3.42Å; T35-W38 PolarHBondContact O-N 3.05Å; Q36-W38 VanDerWaalsContact C-N 3.31Å; Q36-W38 PolarHBondContact O-N 3Å; W38-I41 PolarHBondContact O-N 3.32Å; W38-I42 HydrophobicContact CG-CD1 4.48Å; W38-I42 WeakPolarHBondContact O-CG1 3.38Å; W38-I42 PolarHBondContact O-N 3.4Å; W38-I42 VanDerWaalsContact O-N 3.07Å; W38-L97 HydrophobicContact CE3-CD1 4.34Å; W38-L97 HydrophobicContact CZ3-CD1 3.68Å; W38-A100 HydrophobicContact CH2-CB 3.98Å; W38-A100 HydrophobicContact CZ3-CB 4.43Å; W38-L101 HydrophobicContact CD2-CD2 4.39Å; W38-L101 HydrophobicContact CH2-CD2 3.66Å; W38-L101 HydrophobicContact CH2-CG 3.93Å; W38-L101 HydrophobicContact CZ2-CD2 3.42Å; W38-L101 VanDerWaalsContact CZ2-CD2 3.42Å; W38-L101 HydrophobicContact CZ2-CG 4.15Å; W38-L101 HydrophobicContact CZ3-CD2 4.26Å; W38-A104 HydrophobicContact CZ2-CB 3.82Å; W38-V188 HydrophobicContact CB-CG1 3.94Å; W38-V188 HydrophobicContact CE3-CG1 4.4Å; W38-V188 HydrophobicContact CG-CG1 4.4Å; W38-F192 HydrophobicContact CB-CZ 4.43Å; W38-F192 HydrophobicContact CE3-CE1 4.36Å; W38-F192 AromaticContact CE3-CZ 3.95Å; W38-F192 HydrophobicContact CE3-CZ 3.95Å
39	Q	76.2	Confident	67.6	Low	107 Å²	107	57.6 Å²	57.6	50%	0.5	29%	0.29	S	S	.	.	H	α-helix	trans	-67.3	-37.6	176	-84.1	145.2	-12.1	0	0	113.1	T35 Q36 L37 I41 I42 H43	T35-Q39 PolarHBondContact O-N 3.32Å; T35-Q39 PolarHBondContact O-OE1 3.21Å; T35-Q39 VanDerWaalsContact O-OE1 3.13Å; Q36-Q39 PolarHBondContact O-N 3.14Å; L37-Q39 PolarHBondContact O-N 3.16Å; Q39-I41 VanDerWaalsContact C-N 3.34Å; Q39-I42 PolarHBondContact O-N 3Å; Q39-H43 WeakPolarHBondContact O-CB 3.12Å; Q39-H43 PolarHBondContact O-N 3.47Å
40	N	75.6	Confident	68	Low	69 Å²	69	57.9 Å²	57.9	37%	0.369	28%	0.278	S	S	.	.	H	α-helix	trans	-67.2	-36.4	176	-64.7	-19.2	0	0	0	111.7	Q36 L37 H43 A44 Y77	Q36-N40 PolarHBondContact O-N 3.14Å; Q36-N40 PolarHBondContact O-ND2 2.96Å; Q36-N40 PolarHBondContact O-OD1 3.05Å; L37-N40 PolarHBondContact O-N 3.37Å; N40-H43 PolarHBondContact O-N 3.33Å; N40-A44 WeakPolarHBondContact O-CB 3.33Å; N40-A44 PolarHBondContact O-N 3.48Å; N40-Y77 WeakPolarHBondContact CB-OH 3.36Å
41	I	78.3	Confident	68.6	Low	1 Å²	1	51.7 Å²	51.7	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-62.2	-45	171.3	-66.6	161.8	0	0	0	110.7	L37 W38 Q39 H43 A44 L45 V74 Y77 L97 L101 F192	L37-I41 HydrophobicContact CD2-CD1 3.4Å; L37-I41 VanDerWaalsContact CD2-CD1 3.4Å; L37-I41 HydrophobicContact CD2-CG1 4.18Å; L37-I41 VanDerWaalsContact O-CG1 3.28Å; L37-I41 WeakPolarHBondContact O-CG1 3.48Å; L37-I41 PolarHBondContact O-N 3.39Å; W38-I41 PolarHBondContact O-N 3.32Å; Q39-I41 VanDerWaalsContact C-N 3.34Å; I41-H43 VanDerWaalsContact C-N 3.3Å; I41-H43 PolarHBondContact O-N 2.93Å; I41-A44 PolarHBondContact O-N 3.44Å; I41-L45 WeakPolarHBondContact O-CB 3.12Å; I41-L45 PolarHBondContact O-N 2.98Å; I41-V74 HydrophobicContact CG2-CG2 4.41Å; I41-Y77 HydrophobicContact CB-CD1 4.42Å; I41-Y77 HydrophobicContact CB-CE1 4.28Å; I41-Y77 HydrophobicContact CG1-CD1 3.76Å; I41-Y77 HydrophobicContact CG1-CE1 3.5Å; I41-Y77 VanDerWaalsContact CG1-CE1 3.5Å; I41-L97 HydrophobicContact CD1-CD2 4.1Å; I41-L97 HydrophobicContact CG2-CD2 4.33Å; I41-L101 HydrophobicContact CG2-CD1 4.29Å; I41-F192 HydrophobicContact CD1-CE1 3.96Å; I41-F192 HydrophobicContact CD1-CZ 3.93Å
42	I	77.1	Confident	69	Low	24 Å²	24	54.3 Å²	54.3	12%	0.123	26%	0.258	C	S	.	.	H	α-helix	trans	-61.3	-41.4	177.2	-68.8	166.4	0	0	0	110.9	W38 Q39 L45 R46 L101 V106	W38-I42 HydrophobicContact CG-CD1 4.48Å; W38-I42 WeakPolarHBondContact O-CG1 3.38Å; W38-I42 PolarHBondContact O-N 3.4Å; W38-I42 VanDerWaalsContact O-N 3.07Å; Q39-I42 PolarHBondContact O-N 3Å; I42-L45 PolarHBondContact O-N 3.07Å; I42-R46 WeakPolarHBondContact O-CG 3.34Å; I42-R46 PolarHBondContact O-N 3.36Å; I42-L101 HydrophobicContact CD1-CD2 4.14Å; I42-L101 HydrophobicContact CG1-CD2 3.61Å; I42-V106 HydrophobicContact CD1-CG2 3.87Å; I42-V106 HydrophobicContact CG1-CG1 4.22Å; I42-V106 HydrophobicContact CG1-CG2 4.2Å; I42-V106 HydrophobicContact CG2-CG1 3.97Å
43	H	74	Confident	68.8	Low	120 Å²	120	59 Å²	59	56%	0.556	27%	0.273	S	S	*	.	H	α-helix	trans	-67.3	-43.6	178.6	-171.4	69.7	0	0	0	112	Q39 N40 I41 L45 R46 T47	Q39-H43 WeakPolarHBondContact O-CB 3.12Å; Q39-H43 PolarHBondContact O-N 3.47Å; N40-H43 PolarHBondContact O-N 3.33Å; I41-H43 VanDerWaalsContact C-N 3.3Å; I41-H43 PolarHBondContact O-N 2.93Å; H43-L45 VanDerWaalsContact C-N 3.33Å; H43-L45 PolarHBondContact O-N 3.29Å; H43-R46 PolarHBondContact O-N 3.4Å; H43-T47 WeakPolarHBondContact O-CG2 3.45Å; H43-T47 PolarHBondContact O-N 3.01Å; H43-T47 PolarHBondContact O-OG1 3.02Å
44	A	72.2	Confident	68.1	Low	6 Å²	6	60.3 Å²	60.3	5%	0.05	28%	0.28	C	S	.	.	H	α-helix	trans	-61.2	-41.5	174.1	0	0	0	0	0	111.7	N40 I41 T47 Q48 Y77	N40-A44 WeakPolarHBondContact O-CB 3.33Å; N40-A44 PolarHBondContact O-N 3.48Å; I41-A44 PolarHBondContact O-N 3.44Å; A44-T47 WeakPolarHBondContact CA-OG1 3.25Å; A44-T47 PolarHBondContact O-N 3.01Å; A44-T47 PolarHBondContact O-OG1 2.87Å; A44-T47 VanDerWaalsContact O-OG1 3.08Å; A44-Q48 VanDerWaalsContact O-CB 3.25Å; A44-Q48 WeakPolarHBondContact O-CB 3.46Å; A44-Q48 VanDerWaalsContact O-CG 3.3Å; A44-Q48 WeakPolarHBondContact O-CG 2.95Å; A44-Q48 PolarHBondContact O-N 3.28Å; A44-Y77 HydrophobicContact CB-CD1 4.22Å; A44-Y77 HydrophobicContact CB-CD2 3.33Å; A44-Y77 HydrophobicContact CB-CE2 3.76Å; A44-Y77 HydrophobicContact CB-CG 3.6Å
45	L	76.7	Confident	67.2	Low	1 Å²	1	69.1 Å²	69.1	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-61.9	-44.7	175.5	-179.1	73.1	0	0	0	111.6	I41 I42 H43 T47 V49 A70 A73 V74 L101 F107 F133	I41-L45 WeakPolarHBondContact O-CB 3.12Å; I41-L45 PolarHBondContact O-N 2.98Å; I42-L45 PolarHBondContact O-N 3.07Å; H43-L45 VanDerWaalsContact C-N 3.33Å; H43-L45 PolarHBondContact O-N 3.29Å; L45-T47 VanDerWaalsContact C-N 3.3Å; L45-T47 PolarHBondContact O-N 2.88Å; L45-V49 HydrophobicContact CD1-CG2 3.62Å; L45-V49 HydrophobicContact CG-CG2 4.26Å; L45-V49 VanDerWaalsContact O-CB 3.24Å; L45-V49 WeakPolarHBondContact O-CB 3.42Å; L45-V49 WeakPolarHBondContact O-CG2 3.37Å; L45-V49 PolarHBondContact O-N 3.36Å; L45-A70 HydrophobicContact CD1-CB 3.86Å; L45-A73 HydrophobicContact CD1-CB 4.31Å; L45-V74 HydrophobicContact CB-CG2 4.49Å; L45-V74 HydrophobicContact CD1-CG2 3.74Å; L45-L101 HydrophobicContact CD2-CD1 4.2Å; L45-F107 HydrophobicContact CD2-CD1 4.1Å; L45-F107 HydrophobicContact CD2-CE1 3.92Å; L45-F133 HydrophobicContact CD2-CE1 3.8Å; L45-F133 HydrophobicContact CD2-CZ 4.28Å; L45-F133 HydrophobicContact CG-CE1 4Å; L45-F133 HydrophobicContact CG-CZ 4Å
46	R	71.9	Confident	66.3	Low	90 Å²	90	73 Å²	73	34%	0.34	33%	0.325	S	S	.	.	H	α-helix	trans	-67.7	-27.3	178.7	-75.3	179.1	173.8	170.7	-0.9	113.6	I42 H43 F133 Q136	I42-R46 WeakPolarHBondContact O-CG 3.34Å; I42-R46 PolarHBondContact O-N 3.36Å; H43-R46 PolarHBondContact O-N 3.4Å; R46-F133 HydrophobicContact CG-CD1 4.22Å; R46-F133 HydrophobicContact CG-CE1 4.07Å; R46-F133 HydrophobicContact CG-CZ 4.34Å; R46-Q136 VanDerWaalsContact NH1-OE1 3.1Å
47	T	67.6	Low	65.1	Low	78 Å²	78	77.3 Å²	77.3	48%	0.479	35%	0.345	S	S	.	.	H	α-helix	trans	-92.4	-32.6	-176.9	47.5	0	0	0	0	113.3	H43 A44 L45	H43-T47 WeakPolarHBondContact O-CG2 3.45Å; H43-T47 PolarHBondContact O-N 3.01Å; H43-T47 PolarHBondContact O-OG1 3.02Å; A44-T47 WeakPolarHBondContact CA-OG1 3.25Å; A44-T47 PolarHBondContact O-N 3.01Å; A44-T47 PolarHBondContact O-OG1 2.87Å; A44-T47 VanDerWaalsContact O-OG1 3.08Å; L45-T47 VanDerWaalsContact C-N 3.3Å; L45-T47 PolarHBondContact O-N 2.88Å
48	Q	61.9	Low	63.7	Low	56 Å²	56	84.5 Å²	84.5	26%	0.262	38%	0.383	S	S	.	.	H	α-helix	trans	-93.3	-16.9	-176.3	-64.5	-177	6.9	0	0	113.9	A44 A73	A44-Q48 VanDerWaalsContact O-CB 3.25Å; A44-Q48 WeakPolarHBondContact O-CB 3.46Å; A44-Q48 VanDerWaalsContact O-CG 3.3Å; A44-Q48 WeakPolarHBondContact O-CG 2.95Å; A44-Q48 PolarHBondContact O-N 3.28Å; Q48-A73 HydrophobicContact CB-CB 3.87Å; Q48-A73 PolarHBondContact OE1-O 2.91Å
49	V	62.6	Low	62.4	Low	8 Å²	8	90.8 Å²	90.8	5%	0.048	41%	0.406	C	S	.	.	S	Bend	trans	-86.7	112.3	177.3	176.5	0	0	0	0	109.7	L45 V51 F65 A73 F133	L45-V49 HydrophobicContact CD1-CG2 3.62Å; L45-V49 HydrophobicContact CG-CG2 4.26Å; L45-V49 VanDerWaalsContact O-CB 3.24Å; L45-V49 WeakPolarHBondContact O-CB 3.42Å; L45-V49 WeakPolarHBondContact O-CG2 3.37Å; L45-V49 PolarHBondContact O-N 3.36Å; V49-V51 PolarHBondContact O-N 2.81Å; V49-V51 VanDerWaalsContact O-N 3.07Å; V49-F65 HydrophobicContact CG1-CB 3.21Å; V49-F65 HydrophobicContact CG1-CD1 4.18Å; V49-F65 HydrophobicContact CG1-CD2 3.95Å; V49-F65 HydrophobicContact CG1-CG 3.54Å; V49-A73 HydrophobicContact CG2-CB 3.6Å; V49-F133 HydrophobicContact CB-CZ 4.47Å; V49-F133 HydrophobicContact CG1-CE2 4.47Å
50	E	53.4	Low	61.3	Low	123 Å²	123	90.3 Å²	90.3	58%	0.575	41%	0.41	S	S	*	.			trans	-66.2	106.2	171.8	-73.9	-174.1	-169	0	0	109.8	R52	E50-R52 HydrophobicContact CB-CG 4.5Å; E50-R52 PolarHBondContact O-N 2.71Å; E50-R52 IonicContact OE2-CZ 2.62Å; E50-R52 IonicContact OE2-NE 3.42Å; E50-R52 PolarHBondContact OE2-NE 3.5Å; E50-R52 IonicContact OE2-NH2 3.57Å; E50-R52 PolarHBondContact OE2-NH2 2.93Å
51	V	59.2	Low	60.3	Low	60 Å²	60	89.3 Å²	89.3	36%	0.364	40%	0.403	S	S	.	.			trans	-76.5	116.1	174.4	-161.5	0	0	0	0	108.5	V49 D63 F133	V49-V51 PolarHBondContact O-N 2.81Å; V49-V51 VanDerWaalsContact O-N 3.07Å; V51-D63 HydrophobicContact CG1-CB 3.82Å; V51-F133 HydrophobicContact CG2-CD2 4.49Å; V51-F133 HydrophobicContact CG2-CE2 4.3Å
52	R	53.6	Low	59	Low	153 Å²	153	91.2 Å²	91.2	58%	0.577	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.3	149.7	-175.9	-72.6	-176.7	171.2	-157.7	-3.2	111.3	E50 C54 C64	E50-R52 HydrophobicContact CB-CG 4.5Å; E50-R52 PolarHBondContact O-N 2.71Å; E50-R52 IonicContact OE2-CZ 2.62Å; E50-R52 IonicContact OE2-NE 3.42Å; E50-R52 PolarHBondContact OE2-NE 3.5Å; E50-R52 IonicContact OE2-NH2 3.57Å; E50-R52 PolarHBondContact OE2-NH2 2.93Å; R52-C54 PolarHBondContact O-N 2.68Å; R52-C64 PolarHBondContact N-O 2.91Å; R52-C64 PolarHBondContact O-N 3.32Å; R52-C64 VanDerWaalsContact O-O 3.09Å
53	R	53.7	Low	58.3	Low	213 Å²	213	95 Å²	95	80%	0.804	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.5	107.9	167	-74.5	-175.7	177.2	-177.3	-0.6	108.3
54	C	51.9	Low	58.1	Low	37 Å²	37	89.3 Å²	89.3	25%	0.25	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	124.7	-176.6	-70.9	0	0	0	0	110.2	R52 H61 L130	R52-C54 PolarHBondContact O-N 2.68Å; C54-H61 PolarHBondContact N-O 3.45Å; C54-H61 VanDerWaalsContact N-O 3.1Å; C54-H61 PolarHBondContact O-N 2.93Å; C54-L130 HydrophobicContact CB-CD1 4.04Å; C54-L130 HydrophobicContact CB-CD2 4.35Å
55	R	49.5	Very low	58.2	Low	185 Å²	185	89.1 Å²	89.1	70%	0.698	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.5	117.9	173.2	-172.8	179.3	-178.3	-170.6	-0.5	109.1	R59 V60	R55-R59 WeakPolarHBondContact CA-O 3.37Å; R55-V60 HydrophobicContact CB-CG2 4.28Å; R55-V60 HydrophobicContact CG-CG2 4.06Å
56	R	54.3	Low	58.3	Low	105 Å²	105	89.6 Å²	89.6	40%	0.396	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	141.6	176.1	-155.3	176.2	-179.4	-167.3	4.9	110.2	L58 R59 G128	R56-L58 VanDerWaalsContact C-N 3.29Å; R56-L58 PolarHBondContact O-N 3.44Å; R56-R59 PolarHBondContact N-O 3.35Å; R56-R59 PolarHBondContact O-N 3.47Å; R56-R59 VanDerWaalsContact O-N 3.1Å; R56-R59 VanDerWaalsContact O-O 3.07Å; R56-G128 PolarHBondContact NH1-O 2.97Å; R56-G128 PolarHBondContact NH2-O 3.1Å
57	H	45.7	Very low	58.2	Low	156 Å²	156	85.3 Å²	85.3	72%	0.722	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.5	49.7	-174.8	-58.3	-67.4	0	0	0	113.5	R59	H57-R59 PolarHBondContact O-N 2.91Å
58	L	45.4	Very low	58.6	Low	154 Å²	154	82.5 Å²	82.5	81%	0.806	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.2	2.2	178.7	-59.4	165.6	0	0	0	116	R56	R56-L58 VanDerWaalsContact C-N 3.29Å; R56-L58 PolarHBondContact O-N 3.44Å
59	R	49.6	Very low	59.2	Low	161 Å²	161	82.3 Å²	82.3	61%	0.608	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.8	137.7	173.9	-67.8	-177.4	178.7	-178.8	-0.6	110.8	R55 R56 H57	R55-R59 WeakPolarHBondContact CA-O 3.37Å; R56-R59 PolarHBondContact N-O 3.35Å; R56-R59 PolarHBondContact O-N 3.47Å; R56-R59 VanDerWaalsContact O-N 3.1Å; R56-R59 VanDerWaalsContact O-O 3.07Å; H57-R59 PolarHBondContact O-N 2.91Å
60	V	53.5	Low	59.8	Low	96 Å²	96	82 Å²	82	58%	0.582	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	118.2	173.3	179.6	0	0	0	0	107.2	R55	R55-V60 HydrophobicContact CB-CG2 4.28Å; R55-V60 HydrophobicContact CG-CG2 4.06Å
61	H	55	Low	61	Low	48 Å²	48	76.1 Å²	76.1	22%	0.222	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	118.5	173.5	-64.9	-89	0	0	0	108.9	C54 C64 V110	C54-H61 PolarHBondContact N-O 3.45Å; C54-H61 VanDerWaalsContact N-O 3.1Å; C54-H61 PolarHBondContact O-N 2.93Å; H61-C64 WeakPolarHBondContact CB-SG 3.43Å; H61-V110 HydrophobicContact CB-CG1 4.36Å
62	A	50	Low	61.8	Low	42 Å²	42	75.1 Å²	75.1	35%	0.347	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	147.5	167.3	0	0	0	0	0	109.6	C64 R132	A62-C64 PolarHBondContact O-SG 3.25Å; A62-C64 VanDerWaalsContact O-SG 3.42Å; A62-R132 PolarHBondContact O-NH2 2.85Å
63	D	63.1	Low	62.9	Low	104 Å²	104	68.1 Å²	68.1	56%	0.556	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	59.5	50.8	171.1	-48.5	-39.2	0	0	0	115.5	V51	V51-D63 HydrophobicContact CG1-CB 3.82Å
64	C	69.4	Low	64.1	Low	0 Å²	0	58 Å²	58	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	146.1	179.3	-61	0	0	0	0	112	R52 H61 A62 Y131	R52-C64 PolarHBondContact N-O 2.91Å; R52-C64 PolarHBondContact O-N 3.32Å; R52-C64 VanDerWaalsContact O-O 3.09Å; H61-C64 WeakPolarHBondContact CB-SG 3.43Å; A62-C64 PolarHBondContact O-SG 3.25Å; A62-C64 VanDerWaalsContact O-SG 3.42Å; C64-Y131 WeakPolarHBondContact CA-O 3.48Å
65	F	74.7	Confident	65.3	Low	2 Å²	2	57 Å²	57	1%	0.009	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	155	172.2	64.1	-91.9	0	0	0	111	V49 A70 F107 L130 Y131 F133	V49-F65 HydrophobicContact CG1-CB 3.21Å; V49-F65 HydrophobicContact CG1-CD1 4.18Å; V49-F65 HydrophobicContact CG1-CD2 3.95Å; V49-F65 HydrophobicContact CG1-CG 3.54Å; F65-A70 HydrophobicContact CD2-CB 3.81Å; F65-A70 HydrophobicContact CE2-CB 3.52Å; F65-F107 HydrophobicContact CE1-CB 4.13Å; F65-F107 HydrophobicContact CE1-CG 4.46Å; F65-F107 HydrophobicContact CE2-CD2 4.46Å; F65-F107 HydrophobicContact CZ-CB 3.82Å; F65-F107 HydrophobicContact CZ-CD1 4.1Å; F65-F107 AromaticContact CZ-CD2 3.85Å; F65-F107 HydrophobicContact CZ-CD2 3.85Å; F65-F107 HydrophobicContact CZ-CE2 4.41Å; F65-F107 AromaticContact CZ-CG 3.66Å; F65-F107 HydrophobicContact CZ-CG 3.66Å; F65-L130 CarbonylContact O-C 3.49Å; F65-L130 WeakPolarHBondContact O-CA 3.35Å; F65-Y131 VanDerWaalsContact CD1-O 3.28Å; F65-Y131 WeakPolarHBondContact CD1-O 3.27Å; F65-Y131 HydrophobicContact CE2-CD2 4.32Å; F65-Y131 HydrophobicContact CE2-CG 4.23Å; F65-Y131 VanDerWaalsContact CZ-CB 3.44Å; F65-Y131 HydrophobicContact CZ-CG 4.45Å; F65-Y131 PolarHBondContact N-O 2.92Å; F65-Y131 PolarHBondContact O-N 3.45Å; F65-F133 AromaticContact CD1-CD2 3.86Å; F65-F133 HydrophobicContact CD1-CD2 3.86Å; F65-F133 AromaticContact CD1-CE2 3.48Å; F65-F133 HydrophobicContact CD1-CE2 3.48Å; F65-F133 VanDerWaalsContact CD1-CE2 3.48Å; F65-F133 AromaticContact CD1-CZ 3.93Å; F65-F133 HydrophobicContact CD1-CZ 3.93Å; F65-F133 HydrophobicContact CE1-CD1 4.01Å; F65-F133 AromaticContact CE1-CD2 3.61Å; F65-F133 HydrophobicContact CE1-CD2 3.61Å; F65-F133 AromaticContact CE1-CE1 3.8Å; F65-F133 HydrophobicContact CE1-CE1 3.8Å; F65-F133 AromaticContact CE1-CE2 3.38Å; F65-F133 HydrophobicContact CE1-CE2 3.38Å; F65-F133 AromaticContact CE1-CG 3.91Å; F65-F133 HydrophobicContact CE1-CG 3.91Å; F65-F133 AromaticContact CE1-CZ 3.49Å; F65-F133 HydrophobicContact CE1-CZ 3.49Å; F65-F133 VanDerWaalsContact CE1-CZ 3.49Å; F65-F133 HydrophobicContact CG-CE2 4.41Å; F65-F133 HydrophobicContact CZ-CD1 4.47Å; F65-F133 HydrophobicContact CZ-CE1 4.02Å; F65-F133 HydrophobicContact CZ-CE2 4.26Å; F65-F133 AromaticContact CZ-CZ 3.9Å; F65-F133 HydrophobicContact CZ-CZ 3.9Å
66	A	77.4	Confident	66.7	Low	11 Å²	11	48.9 Å²	48.9	9%	0.091	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	146.9	178	0	0	0	0	0	111.6	S68 D69 A70 S129	A66-S68 PolarHBondContact O-N 3.45Å; A66-D69 HydrophobicContact CB-CB 4.41Å; A66-D69 WeakPolarHBondContact CB-OD2 3.4Å; A66-D69 WeakPolarHBondContact O-CB 3.33Å; A66-D69 PolarHBondContact O-N 3.42Å; A66-A70 PolarHBondContact O-N 3.36Å; A66-S129 CarbonylContact C-O 3.6Å; A66-S129 VanDerWaalsContact CA-O 3.32Å; A66-S129 WeakPolarHBondContact CA-O 3.32Å
67	G	71.6	Confident	67.7	Low	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-54.6	-40.5	176.1	0	0	0	0	0	112.9	D69 A70 V71 S129	G67-D69 VanDerWaalsContact C-N 3.32Å; G67-D69 PolarHBondContact O-N 3.4Å; G67-A70 PolarHBondContact O-N 3.33Å; G67-V71 WeakPolarHBondContact O-CG2 3.28Å; G67-V71 PolarHBondContact O-N 2.87Å; G67-S129 PolarHBondContact N-O 3.5Å
68	S	74.8	Confident	69.1	Low	19 Å²	19	38.2 Å²	38.2	13%	0.133	20%	0.201	C	C	.	.	H	α-helix	trans	-62.3	-36.2	175.9	57.8	0	0	0	0	113.6	A66 V71 D72 R91 D125 S127	A66-S68 PolarHBondContact O-N 3.45Å; S68-V71 PolarHBondContact O-N 3.05Å; S68-D72 VanDerWaalsContact O-CG 3.31Å; S68-D72 PolarHBondContact O-N 3.04Å; S68-R91 PolarHBondContact O-NH2 2.64Å; S68-D125 WeakPolarHBondContact CA-OD1 3.49Å; S68-S127 WeakPolarHBondContact OG-CA 3.35Å
69	D	73.9	Confident	70.5	Confident	52 Å²	52	36.4 Å²	36.4	28%	0.278	19%	0.19	S	C	.	.	H	α-helix	trans	-73.4	-34.1	-178.4	-62.3	-21.7	0	0	0	110.9	R8 A66 G67 D72 A73	R8-D69 IonicContact NH1-OD1 3.34Å; A66-D69 HydrophobicContact CB-CB 4.41Å; A66-D69 WeakPolarHBondContact CB-OD2 3.4Å; A66-D69 WeakPolarHBondContact O-CB 3.33Å; A66-D69 PolarHBondContact O-N 3.42Å; G67-D69 VanDerWaalsContact C-N 3.32Å; G67-D69 PolarHBondContact O-N 3.4Å; D69-D72 PolarHBondContact O-N 2.9Å; D69-A73 PolarHBondContact O-N 3.47Å
70	A	77.2	Confident	71.3	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-67.4	-40.3	173.5	0	0	0	0	0	112.7	L45 F65 A66 G67 D72 A73 V74	L45-A70 HydrophobicContact CD1-CB 3.86Å; F65-A70 HydrophobicContact CD2-CB 3.81Å; F65-A70 HydrophobicContact CE2-CB 3.52Å; A66-A70 PolarHBondContact O-N 3.36Å; G67-A70 PolarHBondContact O-N 3.33Å; A70-D72 VanDerWaalsContact C-N 3.34Å; A70-A73 PolarHBondContact O-N 3.46Å; A70-V74 WeakPolarHBondContact O-CG2 3.2Å; A70-V74 PolarHBondContact O-N 3.39Å
71	V	77.2	Confident	72.1	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.1	-40.6	175.3	176.6	0	0	0	0	110.7	G67 S68 V74 L75 R91 A94 A95 F123 D125	G67-V71 WeakPolarHBondContact O-CG2 3.28Å; G67-V71 PolarHBondContact O-N 2.87Å; S68-V71 PolarHBondContact O-N 3.05Å; V71-V74 PolarHBondContact O-N 2.98Å; V71-L75 WeakPolarHBondContact O-CB 3.44Å; V71-L75 PolarHBondContact O-N 3.13Å; V71-R91 HydrophobicContact CG1-CG 3.67Å; V71-A94 HydrophobicContact CG1-CB 3.97Å; V71-A95 HydrophobicContact CG2-CB 4.13Å; V71-F123 HydrophobicContact CG2-CE1 3.49Å; V71-F123 VanDerWaalsContact CG2-CE1 3.49Å; V71-F123 HydrophobicContact CG2-CZ 3.77Å; V71-D125 HydrophobicContact CG2-CB 4.28Å
72	D	76.4	Confident	72.3	Confident	39 Å²	39	34 Å²	34	21%	0.209	19%	0.188	C	C	.	.	H	α-helix	trans	-64	-41.6	177.6	-76.5	-24.7	0	0	0	112.7	S68 D69 A70 S76 R91	S68-D72 VanDerWaalsContact O-CG 3.31Å; S68-D72 PolarHBondContact O-N 3.04Å; D69-D72 PolarHBondContact O-N 2.9Å; A70-D72 VanDerWaalsContact C-N 3.34Å; D72-S76 VanDerWaalsContact O-CB 3.28Å; D72-S76 WeakPolarHBondContact O-CB 3.39Å; D72-S76 PolarHBondContact O-N 3.49Å; D72-S76 PolarHBondContact O-OG 3.27Å; D72-R91 IonicContact OD1-CZ 2.82Å; D72-R91 IonicContact OD1-NH1 3.56Å; D72-R91 PolarHBondContact OD1-NH1 3.06Å; D72-R91 IonicContact OD1-NH2 3.04Å
73	A	76.8	Confident	72.7	Confident	6 Å²	6	32.5 Å²	32.5	5%	0.05	18%	0.175	C	C	.	.	H	α-helix	trans	-64.5	-47	175.9	0	0	0	0	0	112.1	L45 Q48 V49 D69 A70 S76 Y77	L45-A73 HydrophobicContact CD1-CB 4.31Å; Q48-A73 HydrophobicContact CB-CB 3.87Å; Q48-A73 PolarHBondContact OE1-O 2.91Å; V49-A73 HydrophobicContact CG2-CB 3.6Å; D69-A73 PolarHBondContact O-N 3.47Å; A70-A73 PolarHBondContact O-N 3.46Å; A73-S76 PolarHBondContact O-N 2.97Å; A73-Y77 PolarHBondContact O-N 3.39Å
74	V	78.5	Confident	72.5	Confident	2 Å²	2	27.7 Å²	27.7	1%	0.012	15%	0.149	C	C	.	.	H	α-helix	trans	-65.8	-42.5	178.6	171.4	0	0	0	0	111.2	I41 L45 A70 V71 Y77 L78 A94 L97	I41-V74 HydrophobicContact CG2-CG2 4.41Å; L45-V74 HydrophobicContact CB-CG2 4.49Å; L45-V74 HydrophobicContact CD1-CG2 3.74Å; A70-V74 WeakPolarHBondContact O-CG2 3.2Å; A70-V74 PolarHBondContact O-N 3.39Å; V71-V74 PolarHBondContact O-N 2.98Å; V74-Y77 PolarHBondContact O-N 3.08Å; V74-L78 HydrophobicContact CG1-CD1 3.94Å; V74-L78 HydrophobicContact CG1-CG 4.31Å; V74-L78 WeakPolarHBondContact O-CB 3.25Å; V74-L78 VanDerWaalsContact O-CG 3.26Å; V74-L78 WeakPolarHBondContact O-CG 3.28Å; V74-L78 PolarHBondContact O-N 2.87Å; V74-A94 HydrophobicContact CG1-CB 4.2Å; V74-L97 HydrophobicContact CG1-CD2 3.63Å; V74-L97 HydrophobicContact CG1-CG 4.32Å
75	L	77.9	Confident	71.8	Confident	16 Å²	16	32.6 Å²	32.6	8%	0.084	18%	0.182	C	C	.	.	H	α-helix	trans	-63.2	-43	177.6	-176.7	61.1	0	0	0	111.3	V71 Y77 L78 M79 V89 R91 A94	V71-L75 WeakPolarHBondContact O-CB 3.44Å; V71-L75 PolarHBondContact O-N 3.13Å; L75-Y77 PolarHBondContact O-N 3.35Å; L75-L78 PolarHBondContact O-N 3.44Å; L75-M79 HydrophobicContact CD1-CG 4.36Å; L75-M79 HydrophobicContact CD1-SD 4.32Å; L75-M79 HydrophobicContact CG-SD 4.15Å; L75-M79 WeakPolarHBondContact O-CB 3.29Å; L75-M79 VanDerWaalsContact O-CG 3.3Å; L75-M79 WeakPolarHBondContact O-CG 3.39Å; L75-M79 PolarHBondContact O-N 2.97Å; L75-V89 HydrophobicContact CD1-CG1 3.58Å; L75-R91 HydrophobicContact CD2-CB 4.24Å; L75-R91 HydrophobicContact CD2-CG 4.46Å; L75-A94 HydrophobicContact CB-CB 3.99Å; L75-A94 HydrophobicContact CD1-CB 4.3Å
76	S	77.3	Confident	70.5	Confident	13 Å²	13	38.2 Å²	38.2	9%	0.091	22%	0.217	C	C	.	.	H	α-helix	trans	-60.9	-44.5	176.3	-61.4	0	0	0	0	111.7	D72 A73 M79 Q80	D72-S76 VanDerWaalsContact O-CB 3.28Å; D72-S76 WeakPolarHBondContact O-CB 3.39Å; D72-S76 PolarHBondContact O-N 3.49Å; D72-S76 PolarHBondContact O-OG 3.27Å; A73-S76 PolarHBondContact O-N 2.97Å; S76-M79 PolarHBondContact O-N 2.88Å; S76-Q80 WeakPolarHBondContact O-CB 3.17Å; S76-Q80 WeakPolarHBondContact O-CG 3.32Å; S76-Q80 PolarHBondContact O-N 2.81Å; S76-Q80 VanDerWaalsContact O-N 3.14Å
77	Y	75.9	Confident	69.6	Low	36 Å²	36	38.8 Å²	38.8	14%	0.141	22%	0.22	C	C	.	.	H	α-helix	trans	-62.7	-46.9	175.2	-176.9	-104.3	0	0	0	111.7	N40 I41 A44 A73 V74 L75 M79 Q80 N81	N40-Y77 WeakPolarHBondContact CB-OH 3.36Å; I41-Y77 HydrophobicContact CB-CD1 4.42Å; I41-Y77 HydrophobicContact CB-CE1 4.28Å; I41-Y77 HydrophobicContact CG1-CD1 3.76Å; I41-Y77 HydrophobicContact CG1-CE1 3.5Å; I41-Y77 VanDerWaalsContact CG1-CE1 3.5Å; A44-Y77 HydrophobicContact CB-CD1 4.22Å; A44-Y77 HydrophobicContact CB-CD2 3.33Å; A44-Y77 HydrophobicContact CB-CE2 3.76Å; A44-Y77 HydrophobicContact CB-CG 3.6Å; A73-Y77 PolarHBondContact O-N 3.39Å; V74-Y77 PolarHBondContact O-N 3.08Å; L75-Y77 PolarHBondContact O-N 3.35Å; Y77-M79 VanDerWaalsContact C-N 3.32Å; Y77-M79 PolarHBondContact O-N 3.07Å; Y77-Q80 PolarHBondContact O-N 2.93Å; Y77-N81 WeakPolarHBondContact CD1-ND2 3.44Å; Y77-N81 WeakPolarHBondContact CD2-ND2 3.46Å; Y77-N81 WeakPolarHBondContact CE1-ND2 3.42Å; Y77-N81 VanDerWaalsContact CE2-ND2 3.28Å; Y77-N81 WeakPolarHBondContact CE2-ND2 3.45Å; Y77-N81 PolarHBondContact O-N 3.31Å; Y77-N81 VanDerWaalsContact O-N 3.14Å; Y77-N81 PolarHBondContact O-ND2 3.22Å
78	L	76.3	Confident	69.1	Low	1 Å²	1	46.8 Å²	46.8	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-62.4	-37.1	179.3	-70.7	174.7	0	0	0	112.8	V74 L75 Q80 F84 V89 L97 L197	V74-L78 HydrophobicContact CG1-CD1 3.94Å; V74-L78 HydrophobicContact CG1-CG 4.31Å; V74-L78 WeakPolarHBondContact O-CB 3.25Å; V74-L78 VanDerWaalsContact O-CG 3.26Å; V74-L78 WeakPolarHBondContact O-CG 3.28Å; V74-L78 PolarHBondContact O-N 2.87Å; L75-L78 PolarHBondContact O-N 3.44Å; L78-Q80 VanDerWaalsContact C-N 3.34Å; L78-F84 HydrophobicContact CD2-CD2 3.75Å; L78-F84 HydrophobicContact CD2-CE1 4.34Å; L78-F84 HydrophobicContact CD2-CE2 3.44Å; L78-F84 VanDerWaalsContact CD2-CE2 3.44Å; L78-F84 HydrophobicContact CD2-CG 4.32Å; L78-F84 HydrophobicContact CD2-CZ 3.77Å; L78-V89 HydrophobicContact CB-CG1 3.7Å; L78-V89 HydrophobicContact CB-CG2 4.44Å; L78-V89 HydrophobicContact CD1-CG1 3.92Å; L78-V89 HydrophobicContact CG-CG1 4.48Å; L78-L97 HydrophobicContact CD1-CD2 4.04Å; L78-L97 HydrophobicContact CD2-CD2 4.48Å; L78-L197 HydrophobicContact CD1-CD1 4.14Å; L78-L197 HydrophobicContact CD1-CD2 4.35Å
79	M	74	Confident	68.9	Low	116 Å²	116	47.5 Å²	47.5	57%	0.571	26%	0.261	S	S	*	.	H	α-helix	trans	-72.2	-26	176.8	-71.1	179.9	71.7	0	0	113.4	L75 S76 Y77	L75-M79 HydrophobicContact CD1-CG 4.36Å; L75-M79 HydrophobicContact CD1-SD 4.32Å; L75-M79 HydrophobicContact CG-SD 4.15Å; L75-M79 WeakPolarHBondContact O-CB 3.29Å; L75-M79 VanDerWaalsContact O-CG 3.3Å; L75-M79 WeakPolarHBondContact O-CG 3.39Å; L75-M79 PolarHBondContact O-N 2.97Å; S76-M79 PolarHBondContact O-N 2.88Å; Y77-M79 VanDerWaalsContact C-N 3.32Å; Y77-M79 PolarHBondContact O-N 3.07Å
80	Q	67.2	Low	69	Low	104 Å²	104	47.3 Å²	47.3	49%	0.486	26%	0.264	S	S	.	.	H	α-helix	trans	-87.1	-19.8	-179.7	-71.2	170.2	16	0	0	113.3	S76 Y77 L78	S76-Q80 WeakPolarHBondContact O-CB 3.17Å; S76-Q80 WeakPolarHBondContact O-CG 3.32Å; S76-Q80 PolarHBondContact O-N 2.81Å; S76-Q80 VanDerWaalsContact O-N 3.14Å; Y77-Q80 PolarHBondContact O-N 2.93Å; L78-Q80 VanDerWaalsContact C-N 3.34Å
81	N	69.7	Low	69	Low	31 Å²	31	51.5 Å²	51.5	17%	0.166	28%	0.28	C	S	.	.			trans	-81.1	127.2	-178.3	-83.3	-70.1	0	0	0	112.9	Y77 V83 F84	Y77-N81 WeakPolarHBondContact CD1-ND2 3.44Å; Y77-N81 WeakPolarHBondContact CD2-ND2 3.46Å; Y77-N81 WeakPolarHBondContact CE1-ND2 3.42Å; Y77-N81 VanDerWaalsContact CE2-ND2 3.28Å; Y77-N81 WeakPolarHBondContact CE2-ND2 3.45Å; Y77-N81 PolarHBondContact O-N 3.31Å; Y77-N81 VanDerWaalsContact O-N 3.14Å; Y77-N81 PolarHBondContact O-ND2 3.22Å; N81-V83 PolarHBondContact O-N 3.46Å; N81-V83 VanDerWaalsContact O-N 3.11Å; N81-F84 HydrophobicContact CB-CD2 3.9Å; N81-F84 HydrophobicContact CB-CE2 4.46Å; N81-F84 PolarHBondContact O-N 3.47Å
82	V	59.9	Low	68.8	Low	120 Å²	120	57.6 Å²	57.6	73%	0.727	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-59.4	-26.9	178.1	-173.8	0	0	0	0	112.5	F84 C85	V82-F84 PolarHBondContact O-N 3.28Å; V82-C85 VanDerWaalsContact CA-SG 3.54Å; V82-C85 WeakPolarHBondContact O-CB 3.36Å; V82-C85 PolarHBondContact O-N 2.96Å; V82-C85 PolarHBondContact O-SG 2.94Å; V82-C85 VanDerWaalsContact O-SG 3.32Å
83	V	58.5	Low	68.9	Low	11 Å²	11	57.7 Å²	57.7	7%	0.067	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-68.5	-17.8	-177.7	-174.4	0	0	0	0	113.3	F28 L37 N81 A199 S200	F28-V83 HydrophobicContact CE1-CG2 4.11Å; F28-V83 HydrophobicContact CE2-CG2 3.95Å; F28-V83 HydrophobicContact CZ-CG2 3.72Å; L37-V83 HydrophobicContact CD1-CB 4.38Å; L37-V83 HydrophobicContact CD1-CG1 3.94Å; N81-V83 PolarHBondContact O-N 3.46Å; N81-V83 VanDerWaalsContact O-N 3.11Å; V83-A199 HydrophobicContact CG1-CB 3.87Å; V83-S200 PolarHBondContact O-N 3.08Å; V83-S200 PolarHBondContact O-OG 3.34Å
84	F	59.1	Low	68.9	Low	3 Å²	3	57.4 Å²	57.4	1%	0.013	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-109.6	6	-180	-63.3	-73	0	0	0	113.8	L37 L78 N81 V82 T86 S87 V89 L197 A199	L37-F84 HydrophobicContact CD1-CE2 3.87Å; L37-F84 HydrophobicContact CD1-CZ 3.83Å; L37-F84 HydrophobicContact CD2-CE2 4.04Å; L37-F84 HydrophobicContact CD2-CZ 3.66Å; L37-F84 HydrophobicContact CG-CE2 4.42Å; L37-F84 HydrophobicContact CG-CZ 4.36Å; L78-F84 HydrophobicContact CD2-CD2 3.75Å; L78-F84 HydrophobicContact CD2-CE1 4.34Å; L78-F84 HydrophobicContact CD2-CE2 3.44Å; L78-F84 VanDerWaalsContact CD2-CE2 3.44Å; L78-F84 HydrophobicContact CD2-CG 4.32Å; L78-F84 HydrophobicContact CD2-CZ 3.77Å; N81-F84 HydrophobicContact CB-CD2 3.9Å; N81-F84 HydrophobicContact CB-CE2 4.46Å; N81-F84 PolarHBondContact O-N 3.47Å; V82-F84 PolarHBondContact O-N 3.28Å; F84-T86 PolarHBondContact O-N 3.28Å; F84-S87 PolarHBondContact O-N 3.32Å; F84-V89 HydrophobicContact CB-CG2 4.27Å; F84-L197 HydrophobicContact CE1-CB 4.23Å; F84-A199 HydrophobicContact CD1-CB 4.38Å; F84-A199 HydrophobicContact CE1-CB 3.62Å; F84-A199 HydrophobicContact CZ-CB 3.96Å
85	C	53.3	Low	68.9	Low	102 Å²	102	58.1 Å²	58.1	69%	0.689	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-17	-176.1	-72.2	0	0	0	0	115.2	V82	V82-C85 VanDerWaalsContact CA-SG 3.54Å; V82-C85 WeakPolarHBondContact O-CB 3.36Å; V82-C85 PolarHBondContact O-N 2.96Å; V82-C85 PolarHBondContact O-SG 2.94Å; V82-C85 VanDerWaalsContact O-SG 3.32Å
86	T	47.4	Very low	69	Low	120 Å²	120	64.1 Å²	64.1	74%	0.736	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-5.4	-179.8	57.1	0	0	0	0	113.9	F84	F84-T86 PolarHBondContact O-N 3.28Å
87	S	59.7	Low	69.1	Low	24 Å²	24	63.5 Å²	63.5	17%	0.168	33%	0.331	C	S	.	.	S	Bend	trans	-114.7	133.4	-176.7	175.7	0	0	0	0	110.6	F84 V89	F84-S87 PolarHBondContact O-N 3.32Å; S87-V89 PolarHBondContact O-N 2.9Å
88	E	59.4	Low	69.2	Low	168 Å²	168	61.8 Å²	61.8	79%	0.785	32%	0.324	S	S	*	.			trans	-64.9	107.1	169	-65.8	-170.6	166.2	0	0	109.8	K93	E88-K93 WeakPolarHBondContact O-CE 3.43Å; E88-K93 PolarHBondContact O-NZ 3.31Å
89	V	70.9	Confident	69.3	Low	34 Å²	34	63.6 Å²	63.6	21%	0.206	33%	0.333	C	S	.	.			trans	-87.7	111.4	177.5	-172.7	0	0	0	0	108.3	L75 L78 F84 S87	L75-V89 HydrophobicContact CD1-CG1 3.58Å; L78-V89 HydrophobicContact CB-CG1 3.7Å; L78-V89 HydrophobicContact CB-CG2 4.44Å; L78-V89 HydrophobicContact CD1-CG1 3.92Å; L78-V89 HydrophobicContact CG-CG1 4.48Å; F84-V89 HydrophobicContact CB-CG2 4.27Å; S87-V89 PolarHBondContact O-N 2.9Å
90	S	76.5	Confident	69.6	Low	48 Å²	48	58.4 Å²	58.4	34%	0.336	31%	0.309	S	S	.	.			trans	-105.7	155.8	177.2	72.9	0	0	0	0	111.5	L92 K93 A94	S90-L92 PolarHBondContact O-N 2.87Å; S90-K93 WeakPolarHBondContact O-CB 3.48Å; S90-K93 PolarHBondContact O-N 2.83Å; S90-K93 WeakPolarHBondContact OG-CG 3.34Å; S90-K93 PolarHBondContact OG-N 3.43Å; S90-A94 PolarHBondContact O-N 2.89Å; S90-A94 VanDerWaalsContact O-N 3.16Å
91	R	76.4	Confident	70.1	Confident	88 Å²	88	53.5 Å²	53.5	33%	0.332	29%	0.285	S	S	.	.	H	α-helix	trans	-55.3	-37.3	174.9	-169.4	-177.9	-178	84.9	12.1	112.5	S68 V71 D72 L75 K93 A94 A95 D125	S68-R91 PolarHBondContact O-NH2 2.64Å; V71-R91 HydrophobicContact CG1-CG 3.67Å; D72-R91 IonicContact OD1-CZ 2.82Å; D72-R91 IonicContact OD1-NH1 3.56Å; D72-R91 PolarHBondContact OD1-NH1 3.06Å; D72-R91 IonicContact OD1-NH2 3.04Å; L75-R91 HydrophobicContact CD2-CB 4.24Å; L75-R91 HydrophobicContact CD2-CG 4.46Å; R91-K93 VanDerWaalsContact C-N 3.33Å; R91-K93 PolarHBondContact O-N 2.79Å; R91-A94 PolarHBondContact O-N 2.98Å; R91-A95 PolarHBondContact O-N 3.1Å; R91-D125 WeakPolarHBondContact CD-OD2 3.02Å; R91-D125 IonicContact CZ-OD1 3.98Å; R91-D125 IonicContact CZ-OD2 3.51Å; R91-D125 IonicContact NE-OD1 3.63Å; R91-D125 IonicContact NE-OD2 2.72Å; R91-D125 PolarHBondContact NE-OD2 3.42Å; R91-D125 IonicContact NH2-OD1 3.33Å; R91-D125 PolarHBondContact NH2-OD1 3.37Å; R91-D125 IonicContact NH2-OD2 3.56Å
92	L	74.6	Confident	70.4	Confident	127 Å²	127	52.7 Å²	52.7	67%	0.665	28%	0.281	S	S	*	.	H	α-helix	trans	-61.8	-36.9	174.9	-81.2	155.6	0	0	0	112.9	S90 R96	S90-L92 PolarHBondContact O-N 2.87Å; L92-R96 WeakPolarHBondContact O-CG 3.43Å; L92-R96 PolarHBondContact O-N 2.81Å; L92-R96 VanDerWaalsContact O-N 3.11Å
93	K	76.6	Confident	71.1	Confident	41 Å²	41	53.1 Å²	53.1	18%	0.178	28%	0.275	C	S	.	.	H	α-helix	trans	-70.2	-38.5	175.4	-68.7	179.9	-175.3	-177.5	0	111.4	E88 S90 R91 R96 L97 I195 N196 L197	E88-K93 WeakPolarHBondContact O-CE 3.43Å; E88-K93 PolarHBondContact O-NZ 3.31Å; S90-K93 WeakPolarHBondContact O-CB 3.48Å; S90-K93 PolarHBondContact O-N 2.83Å; S90-K93 WeakPolarHBondContact OG-CG 3.34Å; S90-K93 PolarHBondContact OG-N 3.43Å; R91-K93 VanDerWaalsContact C-N 3.33Å; R91-K93 PolarHBondContact O-N 2.79Å; K93-R96 PolarHBondContact O-N 2.87Å; K93-L97 PolarHBondContact O-N 3.42Å; K93-I195 HydrophobicContact CB-CG2 4.34Å; K93-I195 WeakPolarHBondContact O-CG2 3.19Å; K93-N196 PolarHBondContact NZ-O 3.41Å; K93-L197 HydrophobicContact CB-CD2 4.23Å; K93-L197 HydrophobicContact CB-CG 4.39Å; K93-L197 HydrophobicContact CD-CD2 4.08Å; K93-L197 HydrophobicContact CD-CG 4.47Å
94	A	78.3	Confident	71.6	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-64.3	-41.8	173.9	0	0	0	0	0	112	V71 V74 L75 S90 R91 R96 L97 C98	V71-A94 HydrophobicContact CG1-CB 3.97Å; V74-A94 HydrophobicContact CG1-CB 4.2Å; L75-A94 HydrophobicContact CB-CB 3.99Å; L75-A94 HydrophobicContact CD1-CB 4.3Å; S90-A94 PolarHBondContact O-N 2.89Å; S90-A94 VanDerWaalsContact O-N 3.16Å; R91-A94 PolarHBondContact O-N 2.98Å; A94-R96 PolarHBondContact O-N 3.39Å; A94-L97 WeakPolarHBondContact O-CB 3.42Å; A94-L97 PolarHBondContact O-N 3.47Å; A94-L97 VanDerWaalsContact O-N 3.15Å; A94-C98 PolarHBondContact O-N 2.86Å; A94-C98 PolarHBondContact O-SG 2.8Å; A94-C98 VanDerWaalsContact O-SG 3.38Å
95	A	77.9	Confident	72.1	Confident	17 Å²	17	62.2 Å²	62.2	14%	0.14	32%	0.324	C	S	.	.	H	α-helix	trans	-62.7	-40.2	175.4	0	0	0	0	0	113	V71 R91 L97 C98 Q99 F123 D125	V71-A95 HydrophobicContact CG2-CB 4.13Å; R91-A95 PolarHBondContact O-N 3.1Å; A95-L97 VanDerWaalsContact C-N 3.3Å; A95-L97 PolarHBondContact O-N 3.39Å; A95-C98 WeakPolarHBondContact O-CB 2.99Å; A95-C98 PolarHBondContact O-N 3.37Å; A95-Q99 PolarHBondContact O-N 2.97Å; A95-F123 HydrophobicContact CB-CE1 4.43Å; A95-D125 HydrophobicContact CB-CB 4.37Å
96	R	79.1	Confident	72.9	Confident	142 Å²	142	58 Å²	58	54%	0.536	30%	0.295	S	S	.	.	H	α-helix	trans	-65.5	-32.7	173.2	-72.6	176.9	-178.1	-175.8	0.9	112.9	L92 K93 A94 Q99 A100 I195	L92-R96 WeakPolarHBondContact O-CG 3.43Å; L92-R96 PolarHBondContact O-N 2.81Å; L92-R96 VanDerWaalsContact O-N 3.11Å; K93-R96 PolarHBondContact O-N 2.87Å; A94-R96 PolarHBondContact O-N 3.39Å; R96-Q99 WeakPolarHBondContact O-CB 3.34Å; R96-Q99 PolarHBondContact O-N 3.25Å; R96-A100 PolarHBondContact O-N 2.94Å; R96-A100 VanDerWaalsContact O-N 3.1Å; R96-I195 HydrophobicContact CB-CG1 4.35Å; R96-I195 HydrophobicContact CB-CG2 3.89Å
97	L	80.2	Confident	74.1	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-70.1	-38.4	173.3	-176.4	60.7	0	0	0	111.5	W38 I41 V74 L78 K93 A94 A95 Q99 A100 L101 F192 I195 L197	W38-L97 HydrophobicContact CE3-CD1 4.34Å; W38-L97 HydrophobicContact CZ3-CD1 3.68Å; I41-L97 HydrophobicContact CD1-CD2 4.1Å; I41-L97 HydrophobicContact CG2-CD2 4.33Å; V74-L97 HydrophobicContact CG1-CD2 3.63Å; V74-L97 HydrophobicContact CG1-CG 4.32Å; L78-L97 HydrophobicContact CD1-CD2 4.04Å; L78-L97 HydrophobicContact CD2-CD2 4.48Å; K93-L97 PolarHBondContact O-N 3.42Å; A94-L97 WeakPolarHBondContact O-CB 3.42Å; A94-L97 PolarHBondContact O-N 3.47Å; A94-L97 VanDerWaalsContact O-N 3.15Å; A95-L97 VanDerWaalsContact C-N 3.3Å; A95-L97 PolarHBondContact O-N 3.39Å; L97-Q99 VanDerWaalsContact C-N 3.33Å; L97-Q99 PolarHBondContact O-N 3.38Å; L97-A100 PolarHBondContact O-N 2.81Å; L97-L101 HydrophobicContact CG-CD1 4.5Å; L97-L101 VanDerWaalsContact O-CG 3.31Å; L97-L101 WeakPolarHBondContact O-CG 3.35Å; L97-L101 PolarHBondContact O-N 2.71Å; L97-F192 HydrophobicContact CD1-CE1 4.01Å; L97-I195 HydrophobicContact CB-CD1 4.48Å; L97-I195 HydrophobicContact CD1-CD1 4.12Å; L97-L197 HydrophobicContact CD2-CD1 4.11Å
98	C	77.2	Confident	74.8	Confident	0 Å²	0	56 Å²	56	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-62.1	-38.2	170.8	-67	0	0	0	0	112.4	A94 A95 L101 M102 F107 F123	A94-C98 PolarHBondContact O-N 2.86Å; A94-C98 PolarHBondContact O-SG 2.8Å; A94-C98 VanDerWaalsContact O-SG 3.38Å; A95-C98 WeakPolarHBondContact O-CB 2.99Å; A95-C98 PolarHBondContact O-N 3.37Å; C98-L101 PolarHBondContact O-N 3.48Å; C98-M102 PolarHBondContact O-N 3.49Å; C98-F107 HydrophobicContact CB-CZ 4.28Å; C98-F107 WeakPolarHBondContact O-CZ 3.2Å; C98-F123 HydrophobicContact CB-CD1 3.84Å; C98-F123 HydrophobicContact CB-CD2 4.14Å; C98-F123 HydrophobicContact CB-CE1 3.52Å; C98-F123 HydrophobicContact CB-CE2 3.84Å; C98-F123 HydrophobicContact CB-CG 4.14Å; C98-F123 HydrophobicContact CB-CZ 3.52Å
99	Q	80.1	Confident	75.4	Confident	39 Å²	39	51.2 Å²	51.2	18%	0.182	26%	0.258	C	S	.	.	H	α-helix	trans	-57.9	-49.7	170.7	176.8	63.7	24.5	0	0	111.5	A95 R96 L97 L101 M102 E103 T121 F123	A95-Q99 PolarHBondContact O-N 2.97Å; R96-Q99 WeakPolarHBondContact O-CB 3.34Å; R96-Q99 PolarHBondContact O-N 3.25Å; L97-Q99 VanDerWaalsContact C-N 3.33Å; L97-Q99 PolarHBondContact O-N 3.38Å; Q99-L101 VanDerWaalsContact C-N 3.27Å; Q99-L101 PolarHBondContact O-N 2.84Å; Q99-M102 WeakPolarHBondContact O-CB 3.23Å; Q99-M102 PolarHBondContact O-N 3.1Å; Q99-M102 VanDerWaalsContact O-N 3.12Å; Q99-E103 WeakPolarHBondContact CG-OE1 3.48Å; Q99-E103 PolarHBondContact NE2-OE1 3.34Å; Q99-E103 PolarHBondContact O-N 2.84Å; Q99-T121 PolarHBondContact NE2-O 3.29Å; Q99-F123 HydrophobicContact CB-CB 4.07Å
100	A	78.7	Confident	75	Confident	8 Å²	8	50.9 Å²	50.9	7%	0.066	26%	0.256	C	S	.	.	H	α-helix	trans	-62.7	-34.1	178.3	0	0	0	0	0	112.5	W38 R96 L97 A104 I195	W38-A100 HydrophobicContact CH2-CB 3.98Å; W38-A100 HydrophobicContact CZ3-CB 4.43Å; R96-A100 PolarHBondContact O-N 2.94Å; R96-A100 VanDerWaalsContact O-N 3.1Å; L97-A100 PolarHBondContact O-N 2.81Å; A100-A104 VanDerWaalsContact O-CB 3.31Å; A100-A104 WeakPolarHBondContact O-CB 3.18Å; A100-A104 PolarHBondContact O-N 2.69Å; A100-I195 HydrophobicContact CB-CD1 4.17Å
101	L	79.2	Confident	74	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-68.4	-35.3	174.6	-72	166.8	0	0	0	112.3	W38 I41 I42 L45 L97 C98 Q99 A104 K105 V106 F107	W38-L101 HydrophobicContact CD2-CD2 4.39Å; W38-L101 HydrophobicContact CH2-CD2 3.66Å; W38-L101 HydrophobicContact CH2-CG 3.93Å; W38-L101 HydrophobicContact CZ2-CD2 3.42Å; W38-L101 VanDerWaalsContact CZ2-CD2 3.42Å; W38-L101 HydrophobicContact CZ2-CG 4.15Å; W38-L101 HydrophobicContact CZ3-CD2 4.26Å; I41-L101 HydrophobicContact CG2-CD1 4.29Å; I42-L101 HydrophobicContact CD1-CD2 4.14Å; I42-L101 HydrophobicContact CG1-CD2 3.61Å; L45-L101 HydrophobicContact CD2-CD1 4.2Å; L97-L101 HydrophobicContact CG-CD1 4.5Å; L97-L101 VanDerWaalsContact O-CG 3.31Å; L97-L101 WeakPolarHBondContact O-CG 3.35Å; L97-L101 PolarHBondContact O-N 2.71Å; C98-L101 PolarHBondContact O-N 3.48Å; Q99-L101 VanDerWaalsContact C-N 3.27Å; Q99-L101 PolarHBondContact O-N 2.84Å; L101-A104 CarbonylContact O-C 3.59Å; L101-A104 PolarHBondContact O-N 3.4Å; L101-K105 PolarHBondContact O-N 3.47Å; L101-V106 HydrophobicContact CB-CB 4.35Å; L101-V106 HydrophobicContact CB-CG2 4.39Å; L101-V106 HydrophobicContact CD2-CG2 3.95Å; L101-V106 VanDerWaalsContact O-CB 3.31Å; L101-V106 WeakPolarHBondContact O-CB 3.38Å; L101-V106 WeakPolarHBondContact O-CG2 3.37Å; L101-V106 PolarHBondContact O-N 3.43Å; L101-F107 HydrophobicContact CB-CE1 3.72Å; L101-F107 HydrophobicContact CB-CZ 4.35Å
102	M	75.8	Confident	72.5	Confident	15 Å²	15	51.2 Å²	51.2	7%	0.074	28%	0.278	C	S	.	.	H	α-helix	trans	-70	-42.6	174.8	-172.7	176.8	61.9	0	0	111.6	C98 Q99 A104 K105 F107 T121 F123 Y131	C98-M102 PolarHBondContact O-N 3.49Å; Q99-M102 WeakPolarHBondContact O-CB 3.23Å; Q99-M102 PolarHBondContact O-N 3.1Å; Q99-M102 VanDerWaalsContact O-N 3.12Å; M102-A104 PolarHBondContact O-N 3.49Å; M102-K105 WeakPolarHBondContact O-CA 3.47Å; M102-K105 PolarHBondContact O-N 3.02Å; M102-F107 HydrophobicContact CB-CD2 4.45Å; M102-F107 HydrophobicContact CB-CE2 3.94Å; M102-F107 HydrophobicContact CB-CZ 4.19Å; M102-F107 HydrophobicContact CG-CE2 4.31Å; M102-T121 WeakPolarHBondContact CE-O 3.37Å; M102-F123 HydrophobicContact CE-CB 3.83Å; M102-Y131 HydrophobicContact SD-CD1 4.45Å; M102-Y131 HydrophobicContact SD-CE1 3.87Å
103	E	74.4	Confident	71.3	Confident	129 Å²	129	55 Å²	55	60%	0.603	29%	0.29	S	S	*	.	H	α-helix	trans	-62.2	-33.8	173.4	-71.8	170.1	-167	0	0	112.1	Q99 K105	Q99-E103 WeakPolarHBondContact CG-OE1 3.48Å; Q99-E103 PolarHBondContact NE2-OE1 3.34Å; Q99-E103 PolarHBondContact O-N 2.84Å; E103-K105 PolarHBondContact O-N 3.47Å
104	A	69.6	Low	69.6	Low	56 Å²	56	59 Å²	59	46%	0.463	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	5.4	172	0	0	0	0	0	114.1	W38 A100 L101 M102 V106	W38-A104 HydrophobicContact CZ2-CB 3.82Å; A100-A104 VanDerWaalsContact O-CB 3.31Å; A100-A104 WeakPolarHBondContact O-CB 3.18Å; A100-A104 PolarHBondContact O-N 2.69Å; L101-A104 CarbonylContact O-C 3.59Å; L101-A104 PolarHBondContact O-N 3.4Å; M102-A104 PolarHBondContact O-N 3.49Å; A104-V106 VanDerWaalsContact C-N 3.34Å; A104-V106 HydrophobicContact CB-CG2 4.34Å; A104-V106 PolarHBondContact O-N 3.02Å
105	K	68.8	Low	67.9	Low	148 Å²	148	68.9 Å²	68.9	64%	0.643	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	34.4	179.5	-56.1	-171.8	177.6	-173.6	0	114.9	L101 M102 E103	L101-K105 PolarHBondContact O-N 3.47Å; M102-K105 WeakPolarHBondContact O-CA 3.47Å; M102-K105 PolarHBondContact O-N 3.02Å; E103-K105 PolarHBondContact O-N 3.47Å
106	V	70.7	Confident	65.9	Low	13 Å²	13	74.1 Å²	74.1	8%	0.079	39%	0.39	C	S	.	.	S	Bend	trans	-74.2	-33.6	174.7	-179.8	0	0	0	0	111.3	I42 L101 A104 L134	I42-V106 HydrophobicContact CD1-CG2 3.87Å; I42-V106 HydrophobicContact CG1-CG1 4.22Å; I42-V106 HydrophobicContact CG1-CG2 4.2Å; I42-V106 HydrophobicContact CG2-CG1 3.97Å; L101-V106 HydrophobicContact CB-CB 4.35Å; L101-V106 HydrophobicContact CB-CG2 4.39Å; L101-V106 HydrophobicContact CD2-CG2 3.95Å; L101-V106 VanDerWaalsContact O-CB 3.31Å; L101-V106 WeakPolarHBondContact O-CB 3.38Å; L101-V106 WeakPolarHBondContact O-CG2 3.37Å; L101-V106 PolarHBondContact O-N 3.43Å; A104-V106 VanDerWaalsContact C-N 3.34Å; A104-V106 HydrophobicContact CB-CG2 4.34Å; A104-V106 PolarHBondContact O-N 3.02Å; V106-L134 PolarHBondContact O-N 3.4Å
107	F	71.1	Confident	63.9	Low	0 Å²	0	73.5 Å²	73.5	0%	0	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	157	174.7	56.5	-95.5	0	0	0	110.6	L45 F65 C98 L101 M102 F123 Y131 R132 F133	L45-F107 HydrophobicContact CD2-CD1 4.1Å; L45-F107 HydrophobicContact CD2-CE1 3.92Å; F65-F107 HydrophobicContact CE1-CB 4.13Å; F65-F107 HydrophobicContact CE1-CG 4.46Å; F65-F107 HydrophobicContact CE2-CD2 4.46Å; F65-F107 HydrophobicContact CZ-CB 3.82Å; F65-F107 HydrophobicContact CZ-CD1 4.1Å; F65-F107 AromaticContact CZ-CD2 3.85Å; F65-F107 HydrophobicContact CZ-CD2 3.85Å; F65-F107 HydrophobicContact CZ-CE2 4.41Å; F65-F107 AromaticContact CZ-CG 3.66Å; F65-F107 HydrophobicContact CZ-CG 3.66Å; C98-F107 HydrophobicContact CB-CZ 4.28Å; C98-F107 WeakPolarHBondContact O-CZ 3.2Å; L101-F107 HydrophobicContact CB-CE1 3.72Å; L101-F107 HydrophobicContact CB-CZ 4.35Å; M102-F107 HydrophobicContact CB-CD2 4.45Å; M102-F107 HydrophobicContact CB-CE2 3.94Å; M102-F107 HydrophobicContact CB-CZ 4.19Å; M102-F107 HydrophobicContact CG-CE2 4.31Å; F107-F123 AromaticContact CE2-CD2 3.96Å; F107-F123 HydrophobicContact CE2-CD2 3.96Å; F107-F123 AromaticContact CE2-CE2 3.9Å; F107-F123 HydrophobicContact CE2-CE2 3.9Å; F107-F123 HydrophobicContact CZ-CD2 4.25Å; F107-F123 HydrophobicContact CZ-CE2 4.06Å; F107-Y131 AromaticContact CD2-CD1 3.77Å; F107-Y131 HydrophobicContact CD2-CD1 3.77Å; F107-Y131 HydrophobicContact CD2-CG 4.01Å; F107-Y131 AromaticContact CE2-CD1 3.88Å; F107-Y131 HydrophobicContact CE2-CD1 3.88Å; F107-Y131 HydrophobicContact CE2-CE1 4.37Å; F107-Y131 HydrophobicContact CE2-CG 4.16Å; F107-R132 CarbonylContact C-O 3.48Å; F107-R132 VanDerWaalsContact CA-O 3.24Å; F107-R132 WeakPolarHBondContact CA-O 3.5Å; F107-R132 VanDerWaalsContact CB-O 3.32Å; F107-R132 WeakPolarHBondContact CB-O 3.28Å; F107-F133 HydrophobicContact CB-CD1 3.99Å; F107-F133 HydrophobicContact CB-CE1 4.45Å; F107-F133 HydrophobicContact CD1-CE1 4.37Å
108	E	74.3	Confident	61.9	Low	103 Å²	103	81.4 Å²	81.4	48%	0.481	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	148.6	-178.1	-82.9	176.6	-174.5	0	0	111.8	Y131 R132 L134	E108-Y131 CarbonylContact O-C 3.49Å; E108-Y131 VanDerWaalsContact O-CA 3.29Å; E108-Y131 WeakPolarHBondContact O-CA 3.08Å; E108-R132 PolarHBondContact N-O 3.45Å; E108-R132 PolarHBondContact O-N 3.3Å; E108-L134 HydrophobicContact CB-CD1 3.86Å; E108-L134 HydrophobicContact CG-CD1 3.45Å; E108-L134 VanDerWaalsContact CG-CD1 3.45Å
109	P	73.3	Confident	60.4	Low	67 Å²	67	90.1 Å²	90.1	44%	0.435	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	133.5	176.1	27.7	-33.1	0	0	0	111.8	Y131	P109-Y131 HydrophobicContact CB-CD1 3.98Å; P109-Y131 HydrophobicContact CB-CE1 3.83Å
110	V	62.1	Low	58.6	Low	28 Å²	28	97 Å²	97	17%	0.17	51%	0.514	C	S	.	.			trans	-96.2	97.3	176.7	-177.9	0	0	0	0	108.9	H61 L130 R132	H61-V110 HydrophobicContact CB-CG1 4.36Å; V110-L130 HydrophobicContact CB-CB 4.05Å; V110-L130 PolarHBondContact N-O 3.25Å; V110-R132 HydrophobicContact CG2-CB 3.48Å; V110-R132 VanDerWaalsContact CG2-CB 3.48Å
111	G	55.9	Low	57.6	Low	61 Å²	61	101.1 Å²	101.1	63%	0.629	54%	0.539	S	S	*	.			trans	-154.9	144.1	175.2	0	0	0	0	0	111.5	K113	G111-K113 PolarHBondContact O-N 3.47Å
112	T	45.3	Very low	56.9	Low	82 Å²	82	105.9 Å²	105.9	50%	0.503	57%	0.568	S	S	.	*			trans	-66.5	113.2	175.4	41.2	0	0	0	0	109.8	L114	T112-L114 PolarHBondContact O-N 2.9Å
113	K	48.7	Very low	56.7	Low	207 Å²	207	106.3 Å²	106.3	90%	0.9	57%	0.569	S	S	*	*			trans	-61.9	76.6	164.7	-67.2	-174.5	178.6	-177.8	0	110.3	G111	G111-K113 PolarHBondContact O-N 3.47Å
114	L	41.5	Very low	56.7	Low	125 Å²	125	105.4 Å²	105.4	65%	0.654	57%	0.565	S	S	*	*	S	Bend	trans	-116	-23.4	172.2	-71.5	174.2	0	0	0	113.6	T112	T112-L114 PolarHBondContact O-N 2.9Å
115	F	41.1	Very low	56.9	Low	206 Å²	206	105.3 Å²	105.3	90%	0.904	56%	0.557	S	S	*	*	S	Bend	trans	-153.1	38.9	179.9	-69.6	-75.4	0	0	0	116
116	C	36.8	Very low	57.1	Low	128 Å²	128	101 Å²	101	87%	0.865	55%	0.545	S	S	*	.			trans	-131.9	102.9	167.3	-98.6	0	0	0	0	110.7
117	T	36.6	Very low	56.7	Low	128 Å²	128	105 Å²	105	79%	0.785	57%	0.574	S	S	*	*			trans	-79.7	137	165.2	40.9	0	0	0	0	109.9	K119	T117-K119 PolarHBondContact O-N 2.9Å
118	D	39	Very low	56.1	Low	167 Å²	167	106.7 Å²	106.7	89%	0.893	59%	0.591	S	S	*	*	S	Bend	trans	38.1	58.9	157.2	-73.1	-19.3	0	0	0	118.8
119	K	44.4	Very low	56	Low	183 Å²	183	102.2 Å²	102.2	80%	0.796	57%	0.571	S	S	*	*			trans	-125.9	127.9	156.4	-65.2	-174.7	-178	-179.9	0	108.7	T117 T121	T117-K119 PolarHBondContact O-N 2.9Å; K119-T121 PolarHBondContact O-N 3.35Å
120	E	44.3	Very low	56	Low	184 Å²	184	99.9 Å²	99.9	86%	0.86	56%	0.555	S	S	*	*			trans	-41.8	123.5	173.9	-76.1	173.9	145.7	0	0	109.5	T122	E120-T122 PolarHBondContact O-N 2.84Å
121	T	56.6	Low	56.6	Low	94 Å²	94	99 Å²	99	58%	0.577	55%	0.548	S	S	*	.			trans	-67.6	98.2	-176.8	49.2	0	0	0	0	109	Q99 M102 K119	Q99-T121 PolarHBondContact NE2-O 3.29Å; M102-T121 WeakPolarHBondContact CE-O 3.37Å; K119-T121 PolarHBondContact O-N 3.35Å
122	T	64.6	Low	57.6	Low	100 Å²	100	101 Å²	101	61%	0.613	54%	0.537	S	S	*	.			trans	-84.5	139.4	171	53.5	0	0	0	0	110.1	E120	E120-T122 PolarHBondContact O-N 2.84Å
123	F	72.6	Confident	59.1	Low	23 Å²	23	99 Å²	99	10%	0.101	52%	0.521	C	S	.	.			trans	-74.4	133.6	178.8	176.4	-94.9	0	0	0	109.3	V71 A95 C98 Q99 M102 F107 Y131	V71-F123 HydrophobicContact CG2-CE1 3.49Å; V71-F123 VanDerWaalsContact CG2-CE1 3.49Å; V71-F123 HydrophobicContact CG2-CZ 3.77Å; A95-F123 HydrophobicContact CB-CE1 4.43Å; C98-F123 HydrophobicContact CB-CD1 3.84Å; C98-F123 HydrophobicContact CB-CD2 4.14Å; C98-F123 HydrophobicContact CB-CE1 3.52Å; C98-F123 HydrophobicContact CB-CE2 3.84Å; C98-F123 HydrophobicContact CB-CG 4.14Å; C98-F123 HydrophobicContact CB-CZ 3.52Å; Q99-F123 HydrophobicContact CB-CB 4.07Å; M102-F123 HydrophobicContact CE-CB 3.83Å; F107-F123 AromaticContact CE2-CD2 3.96Å; F107-F123 HydrophobicContact CE2-CD2 3.96Å; F107-F123 AromaticContact CE2-CE2 3.9Å; F107-F123 HydrophobicContact CE2-CE2 3.9Å; F107-F123 HydrophobicContact CZ-CD2 4.25Å; F107-F123 HydrophobicContact CZ-CE2 4.06Å; F123-Y131 AromaticContact CD2-CE1 3.93Å; F123-Y131 HydrophobicContact CD2-CE1 3.93Å; F123-Y131 HydrophobicContact CD2-CE2 4Å; F123-Y131 AromaticContact CD2-CZ 3.57Å; F123-Y131 HydrophobicContact CE2-CD2 4.17Å; F123-Y131 HydrophobicContact CE2-CE1 4.29Å; F123-Y131 AromaticContact CE2-CE2 3.66Å; F123-Y131 HydrophobicContact CE2-CE2 3.66Å; F123-Y131 AromaticContact CE2-CZ 3.75Å; F123-Y131 HydrophobicContact CZ-CE2 4.49Å
124	E	72.8	Confident	60.1	Low	110 Å²	110	92 Å²	92	51%	0.514	49%	0.494	S	S	.	.			trans	-110.9	120.7	-178.8	-66.9	-177.1	171	0	0	109.8	S126 S129 Y131	E124-S126 PolarHBondContact O-N 2.9Å; E124-S129 PolarHBondContact O-OG 3.2Å; E124-Y131 PolarHBondContact N-OH 2.91Å
125	D	73.8	Confident	60.6	Low	55 Å²	55	95.1 Å²	95.1	29%	0.294	51%	0.505	S	S	.	.			trans	-77.5	72.9	170.3	-176.9	13.3	0	0	0	109.2	S68 V71 R91 A95	S68-D125 WeakPolarHBondContact CA-OD1 3.49Å; V71-D125 HydrophobicContact CG2-CB 4.28Å; R91-D125 WeakPolarHBondContact CD-OD2 3.02Å; R91-D125 IonicContact CZ-OD1 3.98Å; R91-D125 IonicContact CZ-OD2 3.51Å; R91-D125 IonicContact NE-OD1 3.63Å; R91-D125 IonicContact NE-OD2 2.72Å; R91-D125 PolarHBondContact NE-OD2 3.42Å; R91-D125 IonicContact NH2-OD1 3.33Å; R91-D125 PolarHBondContact NH2-OD1 3.37Å; R91-D125 IonicContact NH2-OD2 3.56Å; A95-D125 HydrophobicContact CB-CB 4.37Å
126	S	73.6	Confident	60.6	Low	56 Å²	56	92.2 Å²	92.2	39%	0.392	49%	0.494	S	S	.	.	S	Bend	trans	-143.5	137.9	-177.5	-75.6	0	0	0	0	111.2	E124 G128 S129	E124-S126 PolarHBondContact O-N 2.9Å; S126-G128 PolarHBondContact O-N 3.36Å; S126-G128 VanDerWaalsContact O-N 3.14Å; S126-S129 PolarHBondContact O-N 3Å; S126-S129 VanDerWaalsContact O-N 3.08Å; S126-S129 PolarHBondContact O-OG 3.06Å
127	S	63.1	Low	60.1	Low	99 Å²	99	97.2 Å²	97.2	69%	0.692	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-18	175	58.8	0	0	0	0	113.1	S68	S68-S127 WeakPolarHBondContact OG-CA 3.35Å
128	G	58.9	Low	59.7	Low	34 Å²	34	97 Å²	97	35%	0.351	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	11.5	174.9	0	0	0	0	0	114.9	R56 S126	R56-G128 PolarHBondContact NH1-O 2.97Å; R56-G128 PolarHBondContact NH2-O 3.1Å; S126-G128 PolarHBondContact O-N 3.36Å; S126-G128 VanDerWaalsContact O-N 3.14Å
129	S	70.3	Confident	59.1	Low	10 Å²	10	101.1 Å²	101.1	7%	0.07	50%	0.496	C	S	.	.			trans	-115.4	127.6	172.2	62.6	0	0	0	0	108.4	A66 G67 E124 S126 Y131	A66-S129 CarbonylContact C-O 3.6Å; A66-S129 VanDerWaalsContact CA-O 3.32Å; A66-S129 WeakPolarHBondContact CA-O 3.32Å; G67-S129 PolarHBondContact N-O 3.5Å; E124-S129 PolarHBondContact O-OG 3.2Å; S126-S129 PolarHBondContact O-N 3Å; S126-S129 VanDerWaalsContact O-N 3.08Å; S126-S129 PolarHBondContact O-OG 3.06Å; S129-Y131 WeakPolarHBondContact OG-CE2 3.44Å
130	L	74.4	Confident	58.2	Low	17 Å²	17	97.3 Å²	97.3	9%	0.089	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	140.7	-177.2	-67.3	177.2	0	0	0	109.6	C54 F65 V110	C54-L130 HydrophobicContact CB-CD1 4.04Å; C54-L130 HydrophobicContact CB-CD2 4.35Å; F65-L130 CarbonylContact O-C 3.49Å; F65-L130 WeakPolarHBondContact O-CA 3.35Å; V110-L130 HydrophobicContact CB-CB 4.05Å; V110-L130 PolarHBondContact N-O 3.25Å
131	Y	74.3	Confident	57.2	Low	9 Å²	9	91.6 Å²	91.6	4%	0.035	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	153.5	179.5	-61.3	-86.8	0	0	0	110.3	C64 F65 M102 F107 E108 P109 F123 E124 S129	C64-Y131 WeakPolarHBondContact CA-O 3.48Å; F65-Y131 VanDerWaalsContact CD1-O 3.28Å; F65-Y131 WeakPolarHBondContact CD1-O 3.27Å; F65-Y131 HydrophobicContact CE2-CD2 4.32Å; F65-Y131 HydrophobicContact CE2-CG 4.23Å; F65-Y131 VanDerWaalsContact CZ-CB 3.44Å; F65-Y131 HydrophobicContact CZ-CG 4.45Å; F65-Y131 PolarHBondContact N-O 2.92Å; F65-Y131 PolarHBondContact O-N 3.45Å; M102-Y131 HydrophobicContact SD-CD1 4.45Å; M102-Y131 HydrophobicContact SD-CE1 3.87Å; F107-Y131 AromaticContact CD2-CD1 3.77Å; F107-Y131 HydrophobicContact CD2-CD1 3.77Å; F107-Y131 HydrophobicContact CD2-CG 4.01Å; F107-Y131 AromaticContact CE2-CD1 3.88Å; F107-Y131 HydrophobicContact CE2-CD1 3.88Å; F107-Y131 HydrophobicContact CE2-CE1 4.37Å; F107-Y131 HydrophobicContact CE2-CG 4.16Å; E108-Y131 CarbonylContact O-C 3.49Å; E108-Y131 VanDerWaalsContact O-CA 3.29Å; E108-Y131 WeakPolarHBondContact O-CA 3.08Å; P109-Y131 HydrophobicContact CB-CD1 3.98Å; P109-Y131 HydrophobicContact CB-CE1 3.83Å; F123-Y131 AromaticContact CD2-CE1 3.93Å; F123-Y131 HydrophobicContact CD2-CE1 3.93Å; F123-Y131 HydrophobicContact CD2-CE2 4Å; F123-Y131 AromaticContact CD2-CZ 3.57Å; F123-Y131 HydrophobicContact CE2-CD2 4.17Å; F123-Y131 HydrophobicContact CE2-CE1 4.29Å; F123-Y131 AromaticContact CE2-CE2 3.66Å; F123-Y131 HydrophobicContact CE2-CE2 3.66Å; F123-Y131 AromaticContact CE2-CZ 3.75Å; F123-Y131 HydrophobicContact CZ-CE2 4.49Å; E124-Y131 PolarHBondContact N-OH 2.91Å; S129-Y131 WeakPolarHBondContact OG-CE2 3.44Å
132	R	77.5	Confident	56.1	Low	105 Å²	105	93.6 Å²	93.6	40%	0.396	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	134.7	178	175.5	-175.7	-66.8	160.6	-6.5	109.8	A62 F107 E108 V110	A62-R132 PolarHBondContact O-NH2 2.85Å; F107-R132 CarbonylContact C-O 3.48Å; F107-R132 VanDerWaalsContact CA-O 3.24Å; F107-R132 WeakPolarHBondContact CA-O 3.5Å; F107-R132 VanDerWaalsContact CB-O 3.32Å; F107-R132 WeakPolarHBondContact CB-O 3.28Å; E108-R132 PolarHBondContact N-O 3.45Å; E108-R132 PolarHBondContact O-N 3.3Å; V110-R132 HydrophobicContact CG2-CB 3.48Å; V110-R132 VanDerWaalsContact CG2-CB 3.48Å
133	F	75.5	Confident	54.2	Low	38 Å²	38	93.8 Å²	93.8	17%	0.167	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	140.2	174.7	-68.7	-70.2	0	0	0	111.6	L45 R46 V49 V51 F65 F107	L45-F133 HydrophobicContact CD2-CE1 3.8Å; L45-F133 HydrophobicContact CD2-CZ 4.28Å; L45-F133 HydrophobicContact CG-CE1 4Å; L45-F133 HydrophobicContact CG-CZ 4Å; R46-F133 HydrophobicContact CG-CD1 4.22Å; R46-F133 HydrophobicContact CG-CE1 4.07Å; R46-F133 HydrophobicContact CG-CZ 4.34Å; V49-F133 HydrophobicContact CB-CZ 4.47Å; V49-F133 HydrophobicContact CG1-CE2 4.47Å; V51-F133 HydrophobicContact CG2-CD2 4.49Å; V51-F133 HydrophobicContact CG2-CE2 4.3Å; F65-F133 AromaticContact CD1-CD2 3.86Å; F65-F133 HydrophobicContact CD1-CD2 3.86Å; F65-F133 AromaticContact CD1-CE2 3.48Å; F65-F133 HydrophobicContact CD1-CE2 3.48Å; F65-F133 VanDerWaalsContact CD1-CE2 3.48Å; F65-F133 AromaticContact CD1-CZ 3.93Å; F65-F133 HydrophobicContact CD1-CZ 3.93Å; F65-F133 HydrophobicContact CE1-CD1 4.01Å; F65-F133 AromaticContact CE1-CD2 3.61Å; F65-F133 HydrophobicContact CE1-CD2 3.61Å; F65-F133 AromaticContact CE1-CE1 3.8Å; F65-F133 HydrophobicContact CE1-CE1 3.8Å; F65-F133 AromaticContact CE1-CE2 3.38Å; F65-F133 HydrophobicContact CE1-CE2 3.38Å; F65-F133 AromaticContact CE1-CG 3.91Å; F65-F133 HydrophobicContact CE1-CG 3.91Å; F65-F133 AromaticContact CE1-CZ 3.49Å; F65-F133 HydrophobicContact CE1-CZ 3.49Å; F65-F133 VanDerWaalsContact CE1-CZ 3.49Å; F65-F133 HydrophobicContact CG-CE2 4.41Å; F65-F133 HydrophobicContact CZ-CD1 4.47Å; F65-F133 HydrophobicContact CZ-CE1 4.02Å; F65-F133 HydrophobicContact CZ-CE2 4.26Å; F65-F133 AromaticContact CZ-CZ 3.9Å; F65-F133 HydrophobicContact CZ-CZ 3.9Å; F107-F133 HydrophobicContact CB-CD1 3.99Å; F107-F133 HydrophobicContact CB-CE1 4.45Å; F107-F133 HydrophobicContact CD1-CE1 4.37Å
134	L	71	Confident	52	Low	61 Å²	61	98.4 Å²	98.4	32%	0.319	54%	0.54	S	S	.	.			trans	-79.1	123.5	167.8	-103	71.8	0	0	0	109.4	V106 E108 Q136	V106-L134 PolarHBondContact O-N 3.4Å; E108-L134 HydrophobicContact CB-CD1 3.86Å; E108-L134 HydrophobicContact CG-CD1 3.45Å; E108-L134 VanDerWaalsContact CG-CD1 3.45Å; L134-Q136 PolarHBondContact O-N 3.39Å
135	E	51.7	Low	49.7	Very low	190 Å²	190	101.2 Å²	101.2	89%	0.888	55%	0.55	S	S	*	*			trans	-71.8	112.7	175.2	-161.3	161.4	-148.9	0	0	109.2	R137	E135-R137 VanDerWaalsContact C-N 3.31Å; E135-R137 PolarHBondContact O-N 3.14Å
136	Q	40.6	Very low	47.3	Very low	145 Å²	145	105.5 Å²	105.5	68%	0.678	57%	0.569	S	S	*	*			trans	-70.2	92.5	170.9	-80.9	169.7	-44.1	0	0	107.7	R46 L134 T138	R46-Q136 VanDerWaalsContact NH1-OE1 3.1Å; L134-Q136 PolarHBondContact O-N 3.39Å; Q136-T138 VanDerWaalsContact C-N 3.34Å; Q136-T138 PolarHBondContact O-N 3.45Å
137	R	27	Very low	44.9	Very low	234 Å²	234	111 Å²	111	88%	0.883	59%	0.593	S	S	*	*			trans	-59.9	102.3	167.1	-154.5	178.7	-165.9	174	4.3	107.2	E135 R139	E135-R137 VanDerWaalsContact C-N 3.31Å; E135-R137 PolarHBondContact O-N 3.14Å; R137-R139 PolarHBondContact O-N 3.2Å
138	T	28.3	Very low	43.1	Very low	122 Å²	122	108.9 Å²	108.9	75%	0.748	59%	0.587	S	S	*	*			trans	-50	112.4	167.9	36.6	0	0	0	0	108	Q136 S140	Q136-T138 VanDerWaalsContact C-N 3.34Å; Q136-T138 PolarHBondContact O-N 3.45Å; T138-S140 PolarHBondContact O-N 3.04Å
139	R	25.8	Very low	41.5	Very low	254 Å²	254	112.4 Å²	112.4	96%	0.958	61%	0.607	S	S	*	*			trans	-67.9	80.7	160.6	-76.8	167.4	74.3	172.5	2.1	106.7	R137	R137-R139 PolarHBondContact O-N 3.2Å
140	S	26.3	Very low	39.3	Very low	103 Å²	103	119 Å²	119	72%	0.72	64%	0.642	S	S	*	*			trans	-85.8	130.1	158.8	82	0	0	0	0	107.9	T138	T138-S140 PolarHBondContact O-N 3.04Å
141	G	23	Very low	37.3	Very low	64 Å²	64	123.7 Å²	123.7	66%	0.66	67%	0.67	S	S	*	*			trans	-71.3	179.6	168.1	0	0	0	0	0	112.2
142	P	33.4	Very low	35	Very low	137 Å²	137	130.8 Å²	130.8	89%	0.89	70%	0.704	S	S	*	*			trans	-89.2	149.9	-139.1	35	-34.9	0	0	0	113.9
143	A	24	Very low	32.6	Very low	104 Å²	104	131.2 Å²	131.2	86%	0.86	71%	0.714	S	S	*	*			trans	-125.5	119.8	162.5	0	0	0	0	0	109.3
144	T	26	Very low	30.3	Very low	120 Å²	120	136.7 Å²	136.7	74%	0.736	74%	0.742	S	S	*	*			trans	-69.7	140.2	174	1.3	0	0	0	0	111.9
145	K	26.4	Very low	28	Very low	168 Å²	168	140 Å²	140	73%	0.73	76%	0.759	S	S	*	*			trans	67.8	145.6	149	-65.5	166.6	164.5	-98.4	0	116
146	E	22.4	Very low	26.7	Very low	145 Å²	145	138 Å²	138	68%	0.678	75%	0.754	S	S	*	*			cis	-168.6	167	4.6	-112.1	160.1	-156.5	0	0	106
147	D	23.5	Very low	25.9	Very low	171 Å²	171	138 Å²	138	91%	0.914	76%	0.759	S	S	*	*			trans	66.8	132.5	169.7	-85.8	-2.6	0	0	0	118.8
148	G	24	Very low	25.8	Very low	55 Å²	55	133.7 Å²	133.7	57%	0.567	75%	0.748	S	S	*	*			cis	172.4	149.2	5.9	0	0	0	0	0	108.6
149	S	25.8	Very low	25.7	Very low	109 Å²	109	135 Å²	135	76%	0.762	75%	0.746	S	S	*	*			trans	50.4	143.2	153.9	57	0	0	0	0	119.8
150	D	23.9	Very low	25.6	Very low	149 Å²	149	129.7 Å²	129.7	80%	0.797	73%	0.732	S	S	*	*			cis	-169.8	172.5	-0	-112.8	-35.2	0	0	0	107.2
151	V	32.1	Very low	25.6	Very low	114 Å²	114	132.9 Å²	132.9	69%	0.691	73%	0.733	S	S	*	*			trans	92.3	85.5	159.6	-152.3	0	0	0	0	116.9
152	E	27.7	Very low	25.8	Very low	159 Å²	159	139 Å²	139	74%	0.743	74%	0.741	S	S	*	*				41.9	145	110.4	-64.7	-168.5	130.9	0	0	118.7
153	N	27.3	Very low	25.4	Very low	114 Å²	114	144.3 Å²	144.3	61%	0.61	74%	0.743	S	S	*	*			cis	-172.6	156.8	-1.9	-101.8	-30.8	0	0	0	103.8
154	M	25.5	Very low	25.5	Very low	152 Å²	152	149.4 Å²	149.4	75%	0.749	75%	0.746	S	S	*	*				161.9	99.5	119.7	-81.8	-66.3	169.4	0	0	112
155	L	23.3	Very low	25.6	Very low	131 Å²	131	153.5 Å²	153.5	69%	0.686	75%	0.754	S	S	*	*				68.3	114.3	125.1	-61.2	-178	0	0	0	120.9
156	L	24.1	Very low	25.5	Very low	147 Å²	147	151.8 Å²	151.8	77%	0.77	76%	0.758	S	S	*	*				87.4	131.3	110.9	-63.8	173.1	0	0	0	111.9
157	D	24.4	Very low	25.6	Very low	146 Å²	146	149.9 Å²	149.9	78%	0.781	76%	0.76	S	S	*	*			cis	-163.4	158.7	41	-163.8	13	0	0	0	111.1
158	E	24.9	Very low	26.3	Very low	143 Å²	143	153.4 Å²	153.4	67%	0.668	76%	0.761	S	S	*	*			trans	-73.9	150.8	177.7	-76.9	-129.1	104	0	0	113.4
159	H	25.7	Very low	26.5	Very low	151 Å²	151	159 Å²	159	70%	0.699	78%	0.777	S	S	*	*				160.3	112	114.3	-90	-66.1	0	0	0	113.1
160	E	24.3	Very low	26.9	Very low	142 Å²	142	162.4 Å²	162.4	66%	0.664	78%	0.781	S	S	*	*				45.7	113.6	119.7	-78.3	-116.9	133.3	0	0	120.2
161	K	25.4	Very low	27.2	Very low	170 Å²	170	164.2 Å²	164.2	74%	0.739	78%	0.784	S	S	*	*				168.1	142.1	101.3	-98.7	149.9	-167.4	172.8	0	116.2
162	K	26.8	Very low	27.1	Very low	191 Å²	191	166.1 Å²	166.1	83%	0.83	79%	0.787	S	S	*	*			trans	84.2	85.6	145.3	-73.2	174.6	-178.4	-178.4	0	119.6
163	R	26.3	Very low	27.3	Very low	249 Å²	249	170.1 Å²	170.1	94%	0.94	80%	0.796	S	S	*	*			trans	-47.3	126.9	140.2	-76.1	173.8	166.2	165.8	-3.6	111.4
164	K	26	Very low	27.6	Very low	212 Å²	212	170.4 Å²	170.4	92%	0.922	80%	0.802	S	S	*	*			trans	-97.7	130.9	149.2	-87.1	-177.2	176.6	178.2	0	108.4
165	K	27.8	Very low	28.4	Very low	205 Å²	205	170.6 Å²	170.6	89%	0.891	80%	0.804	S	S	*	*			trans	-109.6	118.3	-175.7	-162	-178.2	-171.3	-179	0	107
166	T	24.3	Very low	28.8	Very low	132 Å²	132	169.2 Å²	169.2	81%	0.81	81%	0.805	S	S	*	*			trans	-133.8	94.8	158.9	44.2	0	0	0	0	105.5
167	S	25.3	Very low	29.5	Very low	105 Å²	105	166.3 Å²	166.3	73%	0.734	79%	0.791	S	S	*	*				78.6	119.4	99.1	65.7	0	0	0	0	112.6
168	R	36.5	Very low	30.6	Very low	245 Å²	245	164.7 Å²	164.7	93%	0.925	79%	0.788	S	S	*	*			trans	-56.6	134.7	-175.1	-61.3	167.1	174.9	175.2	-3.4	112.2
169	L	29.6	Very low	31.4	Very low	173 Å²	173	165.2 Å²	165.2	91%	0.906	80%	0.795	S	S	*	*			trans	-127.2	134.6	139.6	-79.5	175.2	0	0	0	108.6	E171	L169-E171 PolarHBondContact O-N 2.96Å; L169-E171 VanDerWaalsContact O-N 3.15Å
170	H	34.8	Very low	32	Very low	181 Å²	181	161.8 Å²	161.8	84%	0.838	79%	0.792	S	S	*	*			trans	-71.4	94.2	-175.5	-176.3	50.6	0	0	0	108.9
171	E	30	Very low	32.8	Very low	186 Å²	186	159.9 Å²	159.9	87%	0.869	79%	0.79	S	S	*	*			trans	-88	112.3	162.4	-95.4	-179.2	167.6	0	0	108.7	L169 R173	L169-E171 PolarHBondContact O-N 2.96Å; L169-E171 VanDerWaalsContact O-N 3.15Å; E171-R173 PolarHBondContact O-N 3.36Å
172	M	29.9	Very low	33.6	Very low	155 Å²	155	156 Å²	156	76%	0.764	77%	0.774	S	S	*	*			trans	-28.6	120.8	166	-153.6	90.2	108.9	0	0	110.8	T174	M172-T174 PolarHBondContact O-N 2.86Å; M172-T174 PolarHBondContact O-OG1 3.35Å
173	R	31.3	Very low	34.7	Very low	243 Å²	243	149.7 Å²	149.7	92%	0.917	75%	0.753	S	S	*	*			trans	-63.7	90.4	161.3	-84.8	-177.1	177.8	176.4	-0.5	106.9	E171 I175	E171-R173 PolarHBondContact O-N 3.36Å; R173-I175 VanDerWaalsContact C-N 3.34Å; R173-I175 PolarHBondContact O-N 2.9Å
174	T	34	Very low	36.1	Very low	120 Å²	120	140.9 Å²	140.9	74%	0.736	73%	0.73	S	S	*	*			trans	-64.8	102.6	162.1	-16.3	0	0	0	0	105.7	M172 S176	M172-T174 PolarHBondContact O-N 2.86Å; M172-T174 PolarHBondContact O-OG1 3.35Å; T174-S176 VanDerWaalsContact C-N 3.28Å; T174-S176 PolarHBondContact O-N 3.35Å
175	I	40.7	Very low	37.5	Very low	156 Å²	156	131.8 Å²	131.8	80%	0.8	69%	0.691	S	S	*	*			trans	-66.6	100	164.8	-57.2	172.4	0	0	0	104.4	R173 N177	R173-I175 VanDerWaalsContact C-N 3.34Å; R173-I175 PolarHBondContact O-N 2.9Å; I175-N177 PolarHBondContact O-N 2.93Å
176	S	31.9	Very low	39	Very low	101 Å²	101	128.8 Å²	128.8	71%	0.706	67%	0.674	S	S	*	*			trans	-58.6	108.5	172.6	-58.5	0	0	0	0	107.8	T174 P178	T174-S176 VanDerWaalsContact C-N 3.28Å; T174-S176 PolarHBondContact O-N 3.35Å; S176-P178 VanDerWaalsContact O-CD 3.3Å; S176-P178 WeakPolarHBondContact O-CD 3.49Å
177	N	39	Very low	40.8	Very low	87 Å²	87	128.3 Å²	128.3	47%	0.465	66%	0.661	S	S	.	*			trans	-63.2	117.3	171.8	-178.1	-2.9	0	0	0	108	I175 L179 A180	I175-N177 PolarHBondContact O-N 2.93Å; N177-L179 PolarHBondContact O-N 2.89Å; N177-L179 WeakPolarHBondContact OD1-CB 3.34Å; N177-L179 PolarHBondContact OD1-N 3.38Å; N177-A180 HydrophobicContact CB-CB 4.31Å; N177-A180 PolarHBondContact O-N 3.48Å
178	P	47.3	Very low	42.7	Very low	111 Å²	111	124 Å²	124	72%	0.721	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	-11	179.9	25.6	-33.4	0	0	0	113.2	S176	S176-P178 VanDerWaalsContact O-CD 3.3Å; S176-P178 WeakPolarHBondContact O-CD 3.49Å
179	L	41.7	Very low	44.1	Very low	155 Å²	155	115.5 Å²	115.5	81%	0.812	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.3	-12.3	176	-60.5	170.2	0	0	0	114	N177	N177-L179 PolarHBondContact O-N 2.89Å; N177-L179 WeakPolarHBondContact OD1-CB 3.34Å; N177-L179 PolarHBondContact OD1-N 3.38Å
180	A	38.3	Very low	45.8	Very low	79 Å²	79	112.4 Å²	112.4	65%	0.653	58%	0.577	S	S	*	*	S	Bend	trans	-100.6	7.5	179.9	0	0	0	0	0	113.6	N177 E182	N177-A180 HydrophobicContact CB-CB 4.31Å; N177-A180 PolarHBondContact O-N 3.48Å; A180-E182 PolarHBondContact O-N 3.4Å
181	V	42.9	Very low	47.2	Very low	101 Å²	101	106.9 Å²	106.9	61%	0.612	55%	0.554	S	S	*	*	S	Bend	trans	-79.2	114.8	168.3	-177.5	0	0	0	0	106.8
182	E	40.7	Very low	48.9	Very low	88 Å²	88	98.3 Å²	98.3	41%	0.411	51%	0.513	S	S	.	.			trans	-46	131	167.7	-83.9	-153.2	132.5	0	0	108.7	A180 S184 R190	A180-E182 PolarHBondContact O-N 3.4Å; E182-S184 PolarHBondContact O-N 3.08Å; E182-S184 VanDerWaalsContact O-N 3.08Å; E182-R190 IonicContact OE1-CZ 3.49Å; E182-R190 IonicContact OE1-NH1 3.61Å; E182-R190 IonicContact OE1-NH2 3.4Å; E182-R190 PolarHBondContact OE1-NH2 3.48Å; E182-R190 IonicContact OE2-CZ 2.62Å; E182-R190 IonicContact OE2-NH1 2.92Å; E182-R190 PolarHBondContact OE2-NH1 3.2Å; E182-R190 IonicContact OE2-NH2 2.58Å; E182-R190 PolarHBondContact OE2-NH2 2.94Å
183	P	50.7	Low	50.5	Low	60 Å²	60	99.9 Å²	99.9	39%	0.39	51%	0.511	S	S	.	.			trans	-54.1	124.3	-177.4	19.5	-30.2	0	0	0	108.7	F32 D185 R186	F32-P183 HydrophobicContact CE1-CB 4.24Å; P183-D185 PolarHBondContact O-N 3.39Å; P183-R186 HydrophobicContact CG-CG 4.16Å; P183-R186 PolarHBondContact O-N 2.85Å
184	S	54.8	Low	52	Low	64 Å²	64	93.4 Å²	93.4	45%	0.448	50%	0.499	S	S	.	.	H	α-helix	trans	-50.8	-27	-178.5	49.2	0	0	0	0	112.4	E182 R186 K187 V188	E182-S184 PolarHBondContact O-N 3.08Å; E182-S184 VanDerWaalsContact O-N 3.08Å; S184-R186 VanDerWaalsContact C-N 3.34Å; S184-R186 PolarHBondContact O-N 2.99Å; S184-K187 WeakPolarHBondContact O-CB 3.46Å; S184-K187 PolarHBondContact O-N 3.03Å; S184-K187 VanDerWaalsContact O-N 3.11Å; S184-V188 WeakPolarHBondContact O-CG2 3.48Å; S184-V188 PolarHBondContact O-N 3.25Å
185	D	56.7	Low	53.1	Low	21 Å²	21	88.2 Å²	88.2	11%	0.112	47%	0.466	C	S	.	.	H	α-helix	trans	-54.8	-42.2	172.8	-126.8	37	0	0	0	113.6	F32 A34 T35 P183 K187 V188 E189	F32-D185 VanDerWaalsContact CA-CG 3.48Å; F32-D185 WeakPolarHBondContact CA-OD1 3.31Å; F32-D185 WeakPolarHBondContact CA-OD2 3.43Å; F32-D185 HydrophobicContact CD1-CB 4.02Å; A34-D185 PolarHBondContact N-OD1 3.04Å; T35-D185 WeakPolarHBondContact CB-OD1 3.29Å; T35-D185 PolarHBondContact N-OD1 3.37Å; T35-D185 PolarHBondContact OG1-OD1 3.28Å; P183-D185 PolarHBondContact O-N 3.39Å; D185-K187 VanDerWaalsContact C-N 3.3Å; D185-K187 PolarHBondContact O-N 3.38Å; D185-V188 PolarHBondContact O-N 2.65Å; D185-E189 WeakPolarHBondContact O-CB 3.32Å; D185-E189 WeakPolarHBondContact O-CG 3.23Å; D185-E189 PolarHBondContact O-N 2.82Å
186	R	59.5	Low	53.9	Low	142 Å²	142	85.9 Å²	85.9	54%	0.536	46%	0.455	S	S	.	.	H	α-helix	trans	-66.3	-33.7	177.4	-75.4	-174.4	177	-167.9	0.1	111.9	P183 S184 R190	P183-R186 HydrophobicContact CG-CG 4.16Å; P183-R186 PolarHBondContact O-N 2.85Å; S184-R186 VanDerWaalsContact C-N 3.34Å; S184-R186 PolarHBondContact O-N 2.99Å; R186-R190 VanDerWaalsContact O-CB 3.29Å; R186-R190 WeakPolarHBondContact O-CB 3.36Å; R186-R190 WeakPolarHBondContact O-CD 3.28Å; R186-R190 WeakPolarHBondContact O-CG 3.31Å; R186-R190 PolarHBondContact O-N 2.81Å
187	K	61.6	Low	55.1	Low	121 Å²	121	81.1 Å²	81.1	53%	0.526	42%	0.422	S	S	.	.	H	α-helix	trans	-68.8	-44.2	174.5	-70.3	-176.8	179.2	178.9	0	110.7	S184 D185 R190 L191	S184-K187 WeakPolarHBondContact O-CB 3.46Å; S184-K187 PolarHBondContact O-N 3.03Å; S184-K187 VanDerWaalsContact O-N 3.11Å; D185-K187 VanDerWaalsContact C-N 3.3Å; D185-K187 PolarHBondContact O-N 3.38Å; K187-R190 PolarHBondContact O-N 3.03Å; K187-L191 VanDerWaalsContact O-CG 3.29Å; K187-L191 WeakPolarHBondContact O-CG 3.25Å; K187-L191 PolarHBondContact O-N 3.26Å
188	V	63.8	Low	55.9	Low	15 Å²	15	86.9 Å²	86.9	9%	0.091	44%	0.437	C	S	.	.	H	α-helix	trans	-66.7	-41	179.2	177.2	0	0	0	0	111.5	A34 W38 S184 D185 L191 F192	A34-V188 HydrophobicContact CB-CB 4.39Å; A34-V188 HydrophobicContact CB-CG1 4.04Å; A34-V188 WeakPolarHBondContact O-CG1 3.29Å; W38-V188 HydrophobicContact CB-CG1 3.94Å; W38-V188 HydrophobicContact CE3-CG1 4.4Å; W38-V188 HydrophobicContact CG-CG1 4.4Å; S184-V188 WeakPolarHBondContact O-CG2 3.48Å; S184-V188 PolarHBondContact O-N 3.25Å; D185-V188 PolarHBondContact O-N 2.65Å; V188-L191 WeakPolarHBondContact O-CB 3.43Å; V188-L191 PolarHBondContact O-N 3.03Å; V188-F192 HydrophobicContact CG1-CD2 3.79Å; V188-F192 HydrophobicContact CG1-CE2 3.33Å; V188-F192 HydrophobicContact CG1-CZ 4.17Å; V188-F192 WeakPolarHBondContact O-CD2 3.46Å; V188-F192 PolarHBondContact O-N 3.21Å
189	E	66.3	Low	56	Low	67 Å²	67	82.2 Å²	82.2	31%	0.313	41%	0.408	S	S	.	.	H	α-helix	trans	-62.8	-43.6	172	-76.9	-175	175.1	0	0	112.6	A34 D185 L191 F192 R193	A34-E189 HydrophobicContact CB-CG 3.6Å; D185-E189 WeakPolarHBondContact O-CB 3.32Å; D185-E189 WeakPolarHBondContact O-CG 3.23Å; D185-E189 PolarHBondContact O-N 2.82Å; E189-L191 VanDerWaalsContact C-N 3.3Å; E189-L191 PolarHBondContact O-N 3.26Å; E189-F192 PolarHBondContact O-N 3.4Å; E189-R193 WeakPolarHBondContact O-CB 3.5Å; E189-R193 WeakPolarHBondContact O-CG 3.24Å; E189-R193 PolarHBondContact O-N 3.07Å
190	R	64.9	Low	56.2	Low	108 Å²	108	77.8 Å²	77.8	41%	0.408	39%	0.39	S	S	.	.	H	α-helix	trans	-60.7	-40.9	174.9	-73.7	167.9	-161.1	143.5	-5.9	110.6	E182 R186 K187 R193 T194	E182-R190 IonicContact OE1-CZ 3.49Å; E182-R190 IonicContact OE1-NH1 3.61Å; E182-R190 IonicContact OE1-NH2 3.4Å; E182-R190 PolarHBondContact OE1-NH2 3.48Å; E182-R190 IonicContact OE2-CZ 2.62Å; E182-R190 IonicContact OE2-NH1 2.92Å; E182-R190 PolarHBondContact OE2-NH1 3.2Å; E182-R190 IonicContact OE2-NH2 2.58Å; E182-R190 PolarHBondContact OE2-NH2 2.94Å; R186-R190 VanDerWaalsContact O-CB 3.29Å; R186-R190 WeakPolarHBondContact O-CB 3.36Å; R186-R190 WeakPolarHBondContact O-CD 3.28Å; R186-R190 WeakPolarHBondContact O-CG 3.31Å; R186-R190 PolarHBondContact O-N 2.81Å; K187-R190 PolarHBondContact O-N 3.03Å; R190-R193 WeakPolarHBondContact O-CB 3.15Å; R190-R193 PolarHBondContact O-N 3.31Å; R190-T194 PolarHBondContact O-N 3.45Å; R190-T194 PolarHBondContact O-OG1 3.16Å
191	L	64.7	Low	56.7	Low	65 Å²	65	77 Å²	77	34%	0.34	37%	0.372	S	S	.	.	H	α-helix	trans	-63.2	-47.1	175.8	-72	170.1	0	0	0	112.3	K187 V188 E189 R193 T194 I195	K187-L191 VanDerWaalsContact O-CG 3.29Å; K187-L191 WeakPolarHBondContact O-CG 3.25Å; K187-L191 PolarHBondContact O-N 3.26Å; V188-L191 WeakPolarHBondContact O-CB 3.43Å; V188-L191 PolarHBondContact O-N 3.03Å; E189-L191 VanDerWaalsContact C-N 3.3Å; E189-L191 PolarHBondContact O-N 3.26Å; L191-R193 VanDerWaalsContact C-N 3.27Å; L191-R193 PolarHBondContact O-N 3.33Å; L191-T194 PolarHBondContact O-N 3.34Å; L191-I195 WeakPolarHBondContact O-CD1 3.27Å; L191-I195 VanDerWaalsContact O-CG1 3.28Å; L191-I195 WeakPolarHBondContact O-CG1 3.49Å; L191-I195 PolarHBondContact O-N 3.41Å
192	F	66.5	Low	56.4	Low	5 Å²	5	76.2 Å²	76.2	2%	0.022	37%	0.371	C	S	.	.	H	α-helix	trans	-60.6	-37.4	175.6	-73.1	-53.1	0	0	0	112.2	L37 W38 I41 L97 V188 E189 I195 N196 L197	L37-F192 HydrophobicContact CD2-CE1 4.04Å; L37-F192 HydrophobicContact CD2-CE2 3.93Å; L37-F192 HydrophobicContact CD2-CZ 3.44Å; L37-F192 VanDerWaalsContact CD2-CZ 3.44Å; W38-F192 HydrophobicContact CB-CZ 4.43Å; W38-F192 HydrophobicContact CE3-CE1 4.36Å; W38-F192 AromaticContact CE3-CZ 3.95Å; W38-F192 HydrophobicContact CE3-CZ 3.95Å; I41-F192 HydrophobicContact CD1-CE1 3.96Å; I41-F192 HydrophobicContact CD1-CZ 3.93Å; L97-F192 HydrophobicContact CD1-CE1 4.01Å; V188-F192 HydrophobicContact CG1-CD2 3.79Å; V188-F192 HydrophobicContact CG1-CE2 3.33Å; V188-F192 HydrophobicContact CG1-CZ 4.17Å; V188-F192 WeakPolarHBondContact O-CD2 3.46Å; V188-F192 PolarHBondContact O-N 3.21Å; E189-F192 PolarHBondContact O-N 3.4Å; F192-I195 PolarHBondContact O-N 2.94Å; F192-N196 PolarHBondContact O-N 3.01Å; F192-L197 HydrophobicContact CD1-CB 4.46Å; F192-L197 PolarHBondContact O-N 3.13Å
193	R	62.4	Low	56.2	Low	189 Å²	189	78 Å²	78	71%	0.713	39%	0.39	S	S	*	.	H	α-helix	trans	-64.9	-44.5	172.6	-72.5	178.9	-174.7	-137.5	4.4	112.4	E189 R190 L191 I195 N196	E189-R193 WeakPolarHBondContact O-CB 3.5Å; E189-R193 WeakPolarHBondContact O-CG 3.24Å; E189-R193 PolarHBondContact O-N 3.07Å; R190-R193 WeakPolarHBondContact O-CB 3.15Å; R190-R193 PolarHBondContact O-N 3.31Å; L191-R193 VanDerWaalsContact C-N 3.27Å; L191-R193 PolarHBondContact O-N 3.33Å; R193-I195 PolarHBondContact O-N 3.07Å; R193-N196 PolarHBondContact O-N 3.27Å
194	T	63	Low	55.5	Low	107 Å²	107	78.8 Å²	78.8	66%	0.656	40%	0.402	S	S	*	.	H	α-helix	trans	-61.4	-32.9	176.8	-55.7	0	0	0	0	112.2	R190 L191 N196	R190-T194 PolarHBondContact O-N 3.45Å; R190-T194 PolarHBondContact O-OG1 3.16Å; L191-T194 PolarHBondContact O-N 3.34Å; T194-N196 VanDerWaalsContact C-N 3.27Å; T194-N196 PolarHBondContact O-N 2.91Å
195	I	58.4	Low	54.8	Low	11 Å²	11	83.4 Å²	83.4	6%	0.056	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	1.7	178.8	-56.9	161.7	0	0	0	111.7	K93 R96 L97 A100 L191 F192 R193 L197	K93-I195 HydrophobicContact CB-CG2 4.34Å; K93-I195 WeakPolarHBondContact O-CG2 3.19Å; R96-I195 HydrophobicContact CB-CG1 4.35Å; R96-I195 HydrophobicContact CB-CG2 3.89Å; L97-I195 HydrophobicContact CB-CD1 4.48Å; L97-I195 HydrophobicContact CD1-CD1 4.12Å; A100-I195 HydrophobicContact CB-CD1 4.17Å; L191-I195 WeakPolarHBondContact O-CD1 3.27Å; L191-I195 VanDerWaalsContact O-CG1 3.28Å; L191-I195 WeakPolarHBondContact O-CG1 3.49Å; L191-I195 PolarHBondContact O-N 3.41Å; F192-I195 PolarHBondContact O-N 2.94Å; R193-I195 PolarHBondContact O-N 3.07Å; I195-L197 HydrophobicContact CB-CD1 4.47Å; I195-L197 HydrophobicContact CG2-CD1 3.78Å; I195-L197 HydrophobicContact CG2-CG 4.06Å; I195-L197 PolarHBondContact O-N 3.36Å
196	N	57.3	Low	53.7	Low	106 Å²	106	89.9 Å²	89.9	57%	0.567	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	35.1	-174.6	-69.4	-41.3	0	0	0	113.1	K93 F192 R193 T194	K93-N196 PolarHBondContact NZ-O 3.41Å; F192-N196 PolarHBondContact O-N 3.01Å; R193-N196 PolarHBondContact O-N 3.27Å; T194-N196 VanDerWaalsContact C-N 3.27Å; T194-N196 PolarHBondContact O-N 2.91Å
197	L	57.4	Low	52.5	Low	2 Å²	2	86.9 Å²	86.9	1%	0.01	46%	0.461	C	S	.	.			trans	-102	95.8	170.1	-73	170.9	0	0	0	107.5	L78 F84 K93 L97 F192 I195 A199	L78-L197 HydrophobicContact CD1-CD1 4.14Å; L78-L197 HydrophobicContact CD1-CD2 4.35Å; F84-L197 HydrophobicContact CE1-CB 4.23Å; K93-L197 HydrophobicContact CB-CD2 4.23Å; K93-L197 HydrophobicContact CB-CG 4.39Å; K93-L197 HydrophobicContact CD-CD2 4.08Å; K93-L197 HydrophobicContact CD-CG 4.47Å; L97-L197 HydrophobicContact CD2-CD1 4.11Å; F192-L197 HydrophobicContact CD1-CB 4.46Å; F192-L197 PolarHBondContact O-N 3.13Å; I195-L197 HydrophobicContact CB-CD1 4.47Å; I195-L197 HydrophobicContact CG2-CD1 3.78Å; I195-L197 HydrophobicContact CG2-CG 4.06Å; I195-L197 PolarHBondContact O-N 3.36Å; L197-A199 PolarHBondContact O-N 3.36Å; L197-A199 VanDerWaalsContact O-N 3.11Å
198	R	53.9	Low	51.4	Low	207 Å²	207	85.9 Å²	85.9	78%	0.781	48%	0.475	S	S	*	.			trans	-84.1	86.6	178	-152.2	176.9	-168.7	169.5	1.9	108.2	S200	R198-S200 PolarHBondContact O-N 2.91Å
199	A	50.3	Low	50.3	Low	13 Å²	13	90.8 Å²	90.8	11%	0.107	51%	0.51	C	S	.	.			trans	-61.3	129	165.4	0	0	0	0	0	107.8	L37 V83 F84 L197 F201	L37-A199 HydrophobicContact CD1-CB 4.27Å; V83-A199 HydrophobicContact CG1-CB 3.87Å; F84-A199 HydrophobicContact CD1-CB 4.38Å; F84-A199 HydrophobicContact CE1-CB 3.62Å; F84-A199 HydrophobicContact CZ-CB 3.96Å; L197-A199 PolarHBondContact O-N 3.36Å; L197-A199 VanDerWaalsContact O-N 3.11Å; A199-F201 HydrophobicContact CB-CD2 3.53Å; A199-F201 HydrophobicContact CB-CE2 3.19Å; A199-F201 HydrophobicContact CB-CG 4.37Å; A199-F201 HydrophobicContact CB-CZ 3.77Å; A199-F201 PolarHBondContact O-N 2.7Å
200	S	45.3	Very low	49	Very low	62 Å²	62	92.4 Å²	92.4	43%	0.434	54%	0.535	S	S	.	.			trans	-71.8	66.3	176	60.2	0	0	0	0	110.7	V83 R198 S202	V83-S200 PolarHBondContact O-N 3.08Å; V83-S200 PolarHBondContact O-OG 3.34Å; R198-S200 PolarHBondContact O-N 2.91Å; S200-S202 PolarHBondContact O-N 3.44Å
201	F	49.5	Very low	47.7	Very low	63 Å²	63	91.2 Å²	91.2	28%	0.276	55%	0.548	S	S	.	.			trans	-80.2	57.3	161.1	-55.7	-65.2	0	0	0	108.5	G33 A34 L37 A199	G33-F201 WeakPolarHBondContact O-CE1 3.44Å; A34-F201 HydrophobicContact CB-CE2 3.93Å; A34-F201 HydrophobicContact CB-CZ 4.14Å; L37-F201 HydrophobicContact CB-CE1 4.4Å; L37-F201 HydrophobicContact CB-CZ 3.82Å; L37-F201 HydrophobicContact CD1-CE1 4.16Å; L37-F201 HydrophobicContact CD1-CZ 3.64Å; L37-F201 HydrophobicContact CG-CZ 4.23Å; A199-F201 HydrophobicContact CB-CD2 3.53Å; A199-F201 HydrophobicContact CB-CE2 3.19Å; A199-F201 HydrophobicContact CB-CG 4.37Å; A199-F201 HydrophobicContact CB-CZ 3.77Å; A199-F201 PolarHBondContact O-N 2.7Å
202	S	36.1	Very low	46.7	Very low	85 Å²	85	91.3 Å²	91.3	59%	0.594	55%	0.554	S	S	*	*	S	Bend	trans	-96.7	137.2	154.9	-80.9	0	0	0	0	106.1	S200 A204	S200-S202 PolarHBondContact O-N 3.44Å; S202-A204 PolarHBondContact O-N 3.29Å
203	P	37.6	Very low	45.7	Very low	124 Å²	124	94.9 Å²	94.9	81%	0.805	58%	0.579	S	S	*	*			trans	-53.8	115.2	159.8	26.3	-30.2	0	0	0	105.2	L205	P203-L205 PolarHBondContact O-N 2.94Å
204	A	35.2	Very low	45.5	Very low	77 Å²	77	94.5 Å²	94.5	64%	0.636	58%	0.583	S	S	*	*			trans	-53.1	129.4	-171.2	0	0	0	0	0	109.2	S202 N206	S202-A204 PolarHBondContact O-N 3.29Å; A204-N206 PolarHBondContact O-N 3.39Å
205	L	39.3	Very low	46	Very low	162 Å²	162	91.7 Å²	91.7	85%	0.848	56%	0.563	S	S	*	*	S	Bend	trans	-65	34.6	175.6	-82.2	153.3	0	0	0	113.3	P203	P203-L205 PolarHBondContact O-N 2.94Å
206	N	34.2	Very low	47	Very low	156 Å²	156	94.2 Å²	94.2	83%	0.834	58%	0.582	S	S	*	*			trans	-116.4	36.2	179.3	-67.3	-7.6	0	0	0	111.8	A204	A204-N206 PolarHBondContact O-N 3.39Å
207	A	33.9	Very low	48.1	Very low	80 Å²	80	97.2 Å²	97.2	66%	0.661	59%	0.59	S	S	*	*			trans	-119.4	51.6	160.8	0	0	0	0	0	109.3	S209	A207-S209 VanDerWaalsContact C-N 3.27Å; A207-S209 PolarHBondContact O-N 3.41Å
208	A	39.3	Very low	49.1	Very low	100 Å²	100	100.5 Å²	100.5	83%	0.826	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	85.2	167.9	0	0	0	0	0	108.8
209	S	41.8	Very low	50.3	Low	118 Å²	118	93.4 Å²	93.4	83%	0.825	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	157.2	69.9	149.3	176.1	0	0	0	0	109.8	A207	A207-S209 VanDerWaalsContact C-N 3.27Å; A207-S209 PolarHBondContact O-N 3.41Å
210	A	38.5	Very low	51.8	Low	101 Å²	101	94.6 Å²	94.6	84%	0.835	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	164.6	-8.5	151.2	0	0	0	0	0	114.5	S212	A210-S212 PolarHBondContact O-N 2.88Å
211	A	38	Very low	53.4	Low	83 Å²	83	95.9 Å²	95.9	69%	0.686	61%	0.605	S	S	*	*			trans	-86.2	101.2	176.5	0	0	0	0	0	109.9	C213	A211-C213 PolarHBondContact O-N 2.9Å; A211-C213 VanDerWaalsContact O-N 3.14Å
212	S	43.7	Very low	54.9	Low	66 Å²	66	97 Å²	97	46%	0.462	61%	0.611	S	S	.	*			trans	-46.1	120.2	165.5	48.3	0	0	0	0	109.7	A210 F214	A210-S212 PolarHBondContact O-N 2.88Å; S212-F214 WeakPolarHBondContact O-CD2 3.38Å; S212-F214 WeakPolarHBondContact O-CE2 3.31Å; S212-F214 PolarHBondContact O-N 3.38Å; S212-F214 VanDerWaalsContact OG-CE2 3.25Å; S212-F214 WeakPolarHBondContact OG-CE2 3.26Å; S212-F214 WeakPolarHBondContact OG-CZ 3.5Å
213	C	44.6	Very low	57	Low	80 Å²	80	93.3 Å²	93.3	54%	0.541	59%	0.585	S	S	.	*			trans	-60.7	99.4	175.1	-160.8	0	0	0	0	108.2	A211 L215 Q468	A211-C213 PolarHBondContact O-N 2.9Å; A211-C213 VanDerWaalsContact O-N 3.14Å; C213-L215 PolarHBondContact O-N 3.11Å; C213-Q468 HydrophobicContact CB-CG 4.5Å; C213-Q468 PolarHBondContact O-NE2 2.72Å
214	F	57.8	Low	59.2	Low	181 Å²	181	89.9 Å²	89.9	79%	0.794	56%	0.556	S	S	*	*			trans	-74.1	111.1	-179.8	-71.9	-78.9	0	0	0	108.5	S212	S212-F214 WeakPolarHBondContact O-CD2 3.38Å; S212-F214 WeakPolarHBondContact O-CE2 3.31Å; S212-F214 PolarHBondContact O-N 3.38Å; S212-F214 VanDerWaalsContact OG-CE2 3.25Å; S212-F214 WeakPolarHBondContact OG-CE2 3.26Å; S212-F214 WeakPolarHBondContact OG-CZ 3.5Å
215	L	73.5	Confident	61.5	Low	48 Å²	48	89.4 Å²	89.4	25%	0.251	54%	0.54	S	S	.	.			trans	-66.4	148.7	171.3	-63.8	170.9	0	0	0	109.5	C213 V219 V220 L464 L467 Q468	C213-L215 PolarHBondContact O-N 3.11Å; L215-V219 HydrophobicContact CB-CG1 4.42Å; L215-V220 HydrophobicContact CB-CG2 4.01Å; L215-L464 HydrophobicContact CD1-CB 4.26Å; L215-L464 HydrophobicContact CD1-CD2 3.53Å; L215-L464 HydrophobicContact CD1-CG 4.48Å; L215-L467 HydrophobicContact CD1-CB 4.13Å; L215-L467 HydrophobicContact CD2-CB 4.42Å; L215-Q468 HydrophobicContact CD1-CG 4.07Å; L215-Q468 HydrophobicContact CG-CG 4.11Å
216	S	79.5	Confident	63.4	Low	65 Å²	65	86.2 Å²	86.2	46%	0.455	52%	0.52	S	S	.	.			trans	-65.4	149.5	177.7	76.9	0	0	0	0	110.8	A218 V219 V220	S216-A218 PolarHBondContact O-N 2.98Å; S216-V219 PolarHBondContact O-N 2.88Å; S216-V219 VanDerWaalsContact OG-CG2 3.22Å; S216-V219 WeakPolarHBondContact OG-CG2 3.38Å; S216-V219 PolarHBondContact OG-N 3.49Å; S216-V220 PolarHBondContact O-N 3.33Å
217	K	81.3	Confident	65.6	Low	168 Å²	168	79.6 Å²	79.6	73%	0.73	48%	0.484	S	S	*	.	H	α-helix	trans	-54.1	-40.2	179.2	-175.6	176.8	177.5	-179.8	0	112.3	V219 V220 D221	K217-V219 PolarHBondContact O-N 3.06Å; K217-V220 PolarHBondContact O-N 3.33Å; K217-D221 WeakPolarHBondContact O-CB 3.35Å; K217-D221 PolarHBondContact O-N 2.62Å
218	A	78.5	Confident	68	Low	71 Å²	71	75.8 Å²	75.8	59%	0.587	45%	0.453	S	S	*	.	H	α-helix	trans	-64.3	-39	177.3	0	0	0	0	0	113	S216 D221 E222	S216-A218 PolarHBondContact O-N 2.98Å; A218-D221 PolarHBondContact O-N 3.43Å; A218-E222 WeakPolarHBondContact O-CB 3.23Å; A218-E222 PolarHBondContact O-N 3.49Å
219	V	78.2	Confident	70	Confident	59 Å²	59	71.8 Å²	71.8	36%	0.358	42%	0.418	S	S	.	.	H	α-helix	trans	-66.6	-41.2	176	170	0	0	0	0	110.4	L215 S216 K217 E222 V223 L467	L215-V219 HydrophobicContact CB-CG1 4.42Å; S216-V219 PolarHBondContact O-N 2.88Å; S216-V219 VanDerWaalsContact OG-CG2 3.22Å; S216-V219 WeakPolarHBondContact OG-CG2 3.38Å; S216-V219 PolarHBondContact OG-N 3.49Å; K217-V219 PolarHBondContact O-N 3.06Å; V219-E222 PolarHBondContact O-N 3.12Å; V219-V223 HydrophobicContact CG1-CG2 4.49Å; V219-V223 VanDerWaalsContact O-CG2 3.24Å; V219-V223 WeakPolarHBondContact O-CG2 3.28Å; V219-V223 PolarHBondContact O-N 2.91Å; V219-L467 HydrophobicContact CG1-CD1 4.47Å
220	V	81.8	Confident	71.7	Confident	38 Å²	38	69.8 Å²	69.8	23%	0.23	40%	0.398	C	S	.	.	H	α-helix	trans	-62.7	-47.1	176.2	176.5	0	0	0	0	110.8	L215 S216 K217 E222 V223 W224 L464	L215-V220 HydrophobicContact CB-CG2 4.01Å; S216-V220 PolarHBondContact O-N 3.33Å; K217-V220 PolarHBondContact O-N 3.33Å; V220-E222 VanDerWaalsContact C-N 3.31Å; V220-E222 PolarHBondContact O-N 2.82Å; V220-V223 PolarHBondContact O-N 3.33Å; V220-W224 PolarHBondContact O-N 3.18Å; V220-L464 HydrophobicContact CG1-CD1 4.47Å; V220-L464 HydrophobicContact CG2-CD2 4.17Å
221	D	80.3	Confident	73.6	Confident	89 Å²	89	66.1 Å²	66.1	48%	0.476	36%	0.363	S	S	.	.	H	α-helix	trans	-62.1	-38.6	178.9	-68.6	-22.4	0	0	0	111.7	K217 A218 W224 K225	K217-D221 WeakPolarHBondContact O-CB 3.35Å; K217-D221 PolarHBondContact O-N 2.62Å; A218-D221 PolarHBondContact O-N 3.43Å; D221-W224 PolarHBondContact O-N 3.18Å; D221-K225 PolarHBondContact O-N 3.45Å
222	E	79	Confident	75.7	Confident	85 Å²	85	62.2 Å²	62.2	40%	0.397	33%	0.331	S	S	.	.	H	α-helix	trans	-68.7	-42	176.8	-168.3	58.6	-147.9	0	0	112.2	A218 V219 V220 W224 K225 Q226	A218-E222 WeakPolarHBondContact O-CB 3.23Å; A218-E222 PolarHBondContact O-N 3.49Å; V219-E222 PolarHBondContact O-N 3.12Å; V220-E222 VanDerWaalsContact C-N 3.31Å; V220-E222 PolarHBondContact O-N 2.82Å; E222-W224 VanDerWaalsContact C-N 3.28Å; E222-W224 PolarHBondContact O-N 3.49Å; E222-K225 WeakPolarHBondContact O-CB 3.3Å; E222-K225 PolarHBondContact O-N 2.87Å; E222-K225 VanDerWaalsContact O-N 3.12Å; E222-Q226 HydrophobicContact CG-CG 4.33Å; E222-Q226 WeakPolarHBondContact O-CB 3.11Å; E222-Q226 VanDerWaalsContact O-CG 3.31Å; E222-Q226 WeakPolarHBondContact O-CG 3.48Å; E222-Q226 PolarHBondContact O-N 2.8Å
223	V	81.8	Confident	77.3	Confident	8 Å²	8	61.7 Å²	61.7	5%	0.048	32%	0.322	C	S	.	.	H	α-helix	trans	-60.8	-40.8	174.7	172.6	0	0	0	0	110.8	V219 V220 Q227 V460 T463 L464 L467	V219-V223 HydrophobicContact CG1-CG2 4.49Å; V219-V223 VanDerWaalsContact O-CG2 3.24Å; V219-V223 WeakPolarHBondContact O-CG2 3.28Å; V219-V223 PolarHBondContact O-N 2.91Å; V220-V223 PolarHBondContact O-N 3.33Å; V223-Q227 VanDerWaalsContact O-CB 3.29Å; V223-Q227 WeakPolarHBondContact O-CB 3.24Å; V223-Q227 PolarHBondContact O-N 3.29Å; V223-V460 HydrophobicContact CG1-CG1 4.04Å; V223-T463 HydrophobicContact CG1-CG2 3.91Å; V223-L464 HydrophobicContact CB-CD2 4.12Å; V223-L464 HydrophobicContact CG1-CD2 4.08Å; V223-L464 HydrophobicContact CG1-CG 4.25Å; V223-L464 HydrophobicContact CG2-CD2 4.09Å; V223-L467 HydrophobicContact CG2-CD1 3.56Å
224	W	82.9	Confident	78.8	Confident	53 Å²	53	63.9 Å²	63.9	20%	0.201	32%	0.324	C	S	.	.	H	α-helix	trans	-60.9	-46.5	173.2	-86.2	105.3	0	0	0	111.6	V220 D221 E222 T228 T452 L456 T457 V460	V220-W224 PolarHBondContact O-N 3.18Å; D221-W224 PolarHBondContact O-N 3.18Å; E222-W224 VanDerWaalsContact C-N 3.28Å; E222-W224 PolarHBondContact O-N 3.49Å; W224-T228 VanDerWaalsContact O-CB 3.26Å; W224-T228 WeakPolarHBondContact O-CB 3.43Å; W224-T228 PolarHBondContact O-N 2.91Å; W224-T228 PolarHBondContact O-OG1 3.24Å; W224-T452 HydrophobicContact CH2-CG2 4.31Å; W224-T452 HydrophobicContact CZ3-CG2 4.06Å; W224-L456 HydrophobicContact CE3-CD2 4.02Å; W224-L456 HydrophobicContact CE3-CG 4.1Å; W224-L456 HydrophobicContact CZ3-CD2 3.74Å; W224-L456 HydrophobicContact CZ3-CG 3.7Å; W224-T457 HydrophobicContact CH2-CG2 4.3Å; W224-V460 HydrophobicContact CD2-CB 4.33Å; W224-V460 HydrophobicContact CD2-CG1 3.95Å; W224-V460 HydrophobicContact CD2-CG2 3.84Å; W224-V460 HydrophobicContact CE3-CB 4.49Å; W224-V460 HydrophobicContact CE3-CG2 3.75Å; W224-V460 HydrophobicContact CG-CG1 4.22Å; W224-V460 HydrophobicContact CG-CG2 4.36Å; W224-V460 HydrophobicContact CH2-CB 4.44Å; W224-V460 HydrophobicContact CH2-CG2 4.44Å; W224-V460 HydrophobicContact CZ2-CB 4.27Å; W224-V460 HydrophobicContact CZ2-CG1 3.98Å; W224-V460 HydrophobicContact CZ3-CG2 4.08Å
225	K	83.1	Confident	79.5	Confident	67 Å²	67	56.8 Å²	56.8	29%	0.291	29%	0.294	S	S	.	.	H	α-helix	trans	-60.8	-52.3	178.8	-174.7	-174	175.8	-169.3	0	111.4	D221 E222 Q227 T228 L229 L379	D221-K225 PolarHBondContact O-N 3.45Å; E222-K225 WeakPolarHBondContact O-CB 3.3Å; E222-K225 PolarHBondContact O-N 2.87Å; E222-K225 VanDerWaalsContact O-N 3.12Å; K225-Q227 PolarHBondContact O-N 2.8Å; K225-T228 PolarHBondContact O-N 3.44Å; K225-L229 HydrophobicContact CG-CD1 4.06Å; K225-L229 WeakPolarHBondContact O-CG 3.22Å; K225-L229 PolarHBondContact O-N 2.85Å; K225-L379 HydrophobicContact CG-CD2 4.22Å
226	Q	80.9	Confident	79.3	Confident	94 Å²	94	54.6 Å²	54.6	44%	0.439	28%	0.283	S	S	.	.	H	α-helix	trans	-58.2	-48.8	-179.7	-71.9	177.5	-19.1	0	0	111.8	E222 T228 L229 L230	E222-Q226 HydrophobicContact CG-CG 4.33Å; E222-Q226 WeakPolarHBondContact O-CB 3.11Å; E222-Q226 VanDerWaalsContact O-CG 3.31Å; E222-Q226 WeakPolarHBondContact O-CG 3.48Å; E222-Q226 PolarHBondContact O-N 2.8Å; Q226-T228 VanDerWaalsContact C-N 3.31Å; Q226-T228 PolarHBondContact O-N 2.82Å; Q226-L229 PolarHBondContact O-N 3.47Å; Q226-L230 WeakPolarHBondContact O-CG 3.41Å; Q226-L230 PolarHBondContact O-N 2.7Å
227	Q	80.4	Confident	78.6	Confident	17 Å²	17	60.5 Å²	60.5	8%	0.079	30%	0.304	C	S	.	.	H	α-helix	trans	-67.3	-33.6	-179.3	-168.8	61.7	58.9	0	0	112.5	V223 K225 Q231 L456 A459 V460	V223-Q227 VanDerWaalsContact O-CB 3.29Å; V223-Q227 WeakPolarHBondContact O-CB 3.24Å; V223-Q227 PolarHBondContact O-N 3.29Å; K225-Q227 PolarHBondContact O-N 2.8Å; Q227-Q231 WeakPolarHBondContact O-CG 3.38Å; Q227-Q231 PolarHBondContact O-N 2.88Å; Q227-Q231 VanDerWaalsContact O-N 3.17Å; Q227-L456 HydrophobicContact CB-CD1 3.94Å; Q227-L456 HydrophobicContact CG-CD1 3.62Å; Q227-A459 HydrophobicContact CG-CB 3.65Å; Q227-V460 HydrophobicContact CB-CG2 3.75Å; Q227-V460 HydrophobicContact CG-CG2 3.9Å
228	T	83.4	Confident	77.6	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.006	27%	0.274	C	S	.	.	H	α-helix	trans	-65.9	-44.4	175	-57.6	0	0	0	0	110.6	W224 K225 Q226 Q231 L232 L375 R378 L379	W224-T228 VanDerWaalsContact O-CB 3.26Å; W224-T228 WeakPolarHBondContact O-CB 3.43Å; W224-T228 PolarHBondContact O-N 2.91Å; W224-T228 PolarHBondContact O-OG1 3.24Å; K225-T228 PolarHBondContact O-N 3.44Å; Q226-T228 VanDerWaalsContact C-N 3.31Å; Q226-T228 PolarHBondContact O-N 2.82Å; T228-Q231 PolarHBondContact O-N 3.03Å; T228-L232 WeakPolarHBondContact O-CB 3.49Å; T228-L232 PolarHBondContact O-N 3.04Å; T228-L375 HydrophobicContact CG2-CB 3.99Å; T228-L375 HydrophobicContact CG2-CD2 3.86Å; T228-L375 WeakPolarHBondContact CG2-O 3.48Å; T228-R378 HydrophobicContact CG2-CB 4.24Å; T228-R378 HydrophobicContact CG2-CG 4.25Å; T228-L379 HydrophobicContact CG2-CD1 4.36Å; T228-L379 HydrophobicContact CG2-CD2 3.79Å; T228-L379 HydrophobicContact CG2-CG 3.81Å
229	L	80.9	Confident	76.4	Confident	15 Å²	15	55.6 Å²	55.6	8%	0.079	28%	0.281	C	S	.	.	H	α-helix	trans	-63.9	-44.6	177.4	-71.1	171.3	0	0	0	112.4	K225 Q226 Q231 L232 L233 I244 L245 L379	K225-L229 HydrophobicContact CG-CD1 4.06Å; K225-L229 WeakPolarHBondContact O-CG 3.22Å; K225-L229 PolarHBondContact O-N 2.85Å; Q226-L229 PolarHBondContact O-N 3.47Å; L229-Q231 VanDerWaalsContact C-N 3.33Å; L229-Q231 PolarHBondContact O-N 3.21Å; L229-L232 PolarHBondContact O-N 3.47Å; L229-L233 WeakPolarHBondContact O-CB 3.45Å; L229-L233 WeakPolarHBondContact O-CG 3.49Å; L229-L233 PolarHBondContact O-N 2.71Å; L229-I244 HydrophobicContact CD2-CG2 3.27Å; L229-L245 HydrophobicContact CD1-CD2 4.14Å; L229-L379 HydrophobicContact CD2-CD1 3.59Å; L229-L379 HydrophobicContact CD2-CD2 4.06Å; L229-L379 HydrophobicContact CG-CD1 4.43Å; L229-L379 HydrophobicContact CG-CD2 4.09Å
230	L	77.6	Confident	75.3	Confident	77 Å²	77	56.4 Å²	56.4	40%	0.403	29%	0.286	S	S	.	.	H	α-helix	trans	-59.9	-43.2	177.6	-74.8	171.6	0	0	0	112.1	Q226 H234	Q226-L230 WeakPolarHBondContact O-CG 3.41Å; Q226-L230 PolarHBondContact O-N 2.7Å; L230-H234 PolarHBondContact O-N 3.49Å
231	Q	78.4	Confident	74.2	Confident	24 Å²	24	56.6 Å²	56.6	11%	0.112	29%	0.286	C	S	.	.	H	α-helix	trans	-69.5	-35.6	176.5	-71.6	-172.6	0.2	0	0	112.1	Q227 T228 L229 H234 I235 L375	Q227-Q231 WeakPolarHBondContact O-CG 3.38Å; Q227-Q231 PolarHBondContact O-N 2.88Å; Q227-Q231 VanDerWaalsContact O-N 3.17Å; T228-Q231 PolarHBondContact O-N 3.03Å; L229-Q231 VanDerWaalsContact C-N 3.33Å; L229-Q231 PolarHBondContact O-N 3.21Å; Q231-H234 PolarHBondContact O-N 3.01Å; Q231-I235 WeakPolarHBondContact O-CG1 3.39Å; Q231-I235 PolarHBondContact O-N 2.87Å; Q231-L375 HydrophobicContact CB-CD1 3.69Å; Q231-L375 HydrophobicContact CB-CD2 4.34Å
232	L	82.1	Confident	72.9	Confident	1 Å²	1	57.9 Å²	57.9	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-65	-46.1	178	-177.3	62.8	0	0	0	110.7	T228 L229 H234 I235 V236 V353 A372 L375 L379	T228-L232 WeakPolarHBondContact O-CB 3.49Å; T228-L232 PolarHBondContact O-N 3.04Å; L229-L232 PolarHBondContact O-N 3.47Å; L232-H234 PolarHBondContact O-N 2.98Å; L232-I235 PolarHBondContact O-N 2.96Å; L232-V236 HydrophobicContact CD1-CG2 4.05Å; L232-V236 WeakPolarHBondContact O-CB 3.21Å; L232-V236 PolarHBondContact O-N 3.36Å; L232-V353 HydrophobicContact CD1-CG1 3.86Å; L232-V353 HydrophobicContact CD2-CG1 4.03Å; L232-V353 HydrophobicContact CD2-CG2 4.08Å; L232-V353 HydrophobicContact CG-CG1 4.35Å; L232-A372 HydrophobicContact CD1-CB 4.18Å; L232-L375 HydrophobicContact CB-CB 4.28Å; L232-L375 HydrophobicContact CB-CD1 4.24Å; L232-L375 HydrophobicContact CD1-CB 4.12Å; L232-L379 HydrophobicContact CD2-CD1 3.87Å
233	L	77.7	Confident	71.8	Confident	55 Å²	55	55.6 Å²	55.6	29%	0.288	29%	0.286	S	S	.	.	H	α-helix	trans	-61.5	-27.1	176	-82.1	163.8	0	0	0	114.4	L229 V236 L238 L241	L229-L233 WeakPolarHBondContact O-CB 3.45Å; L229-L233 WeakPolarHBondContact O-CG 3.49Å; L229-L233 PolarHBondContact O-N 2.71Å; L233-V236 CarbonylContact C-O 3.33Å; L233-V236 WeakPolarHBondContact CA-O 3.31Å; L233-V236 CarbonylContact O-C 3.56Å; L233-L238 HydrophobicContact CD2-CB 4.03Å; L233-L238 HydrophobicContact CD2-CD1 4.14Å; L233-L238 HydrophobicContact CD2-CG 4.39Å; L233-L241 HydrophobicContact CD1-CD1 3.43Å; L233-L241 VanDerWaalsContact CD1-CD1 3.43Å; L233-L241 HydrophobicContact CD1-CD2 4.06Å; L233-L241 HydrophobicContact CD1-CG 4.27Å; L233-L241 HydrophobicContact CD2-CD1 3.72Å; L233-L241 HydrophobicContact CD2-CD2 3.62Å; L233-L241 HydrophobicContact CD2-CG 3.8Å; L233-L241 HydrophobicContact CG-CD1 4.07Å; L233-L241 HydrophobicContact CG-CD2 3.98Å; L233-L241 HydrophobicContact CG-CG 4.44Å
234	H	75.6	Confident	70.7	Confident	126 Å²	126	55.8 Å²	55.8	58%	0.583	29%	0.287	S	S	*	.	H	α-helix	trans	-77.2	-37.4	176	-179.2	59.9	0	0	0	112.2	L230 Q231 L232	L230-H234 PolarHBondContact O-N 3.49Å; Q231-H234 PolarHBondContact O-N 3.01Å; L232-H234 PolarHBondContact O-N 2.98Å
235	I	72.8	Confident	69.4	Low	31 Å²	31	57.9 Å²	57.9	16%	0.159	30%	0.301	C	S	.	.	H	α-helix	trans	-78.4	-32.4	178.7	-62	170.9	0	0	0	110.4	Q231 L232 L360 D368 R371 A372 L375	Q231-I235 WeakPolarHBondContact O-CG1 3.39Å; Q231-I235 PolarHBondContact O-N 2.87Å; L232-I235 PolarHBondContact O-N 2.96Å; I235-L360 HydrophobicContact CG2-CD1 4.06Å; I235-D368 HydrophobicContact CG2-CB 4.2Å; I235-R371 HydrophobicContact CD1-CB 3.77Å; I235-A372 HydrophobicContact CG2-CB 3.91Å; I235-L375 HydrophobicContact CD1-CD1 3.87Å
236	V	69	Low	67.7	Low	3 Å²	3	58.6 Å²	58.6	2%	0.018	31%	0.312	C	S	.	.	S	Bend	trans	-120.1	110.2	-176.7	-178.2	0	0	0	0	109	L232 L233 L238 A356 A372	L232-V236 HydrophobicContact CD1-CG2 4.05Å; L232-V236 WeakPolarHBondContact O-CB 3.21Å; L232-V236 PolarHBondContact O-N 3.36Å; L233-V236 CarbonylContact C-O 3.33Å; L233-V236 WeakPolarHBondContact CA-O 3.31Å; L233-V236 CarbonylContact O-C 3.56Å; V236-L238 HydrophobicContact CB-CD2 4.42Å; V236-L238 HydrophobicContact CB-CG 4.23Å; V236-L238 HydrophobicContact CG1-CD2 3.35Å; V236-L238 HydrophobicContact CG1-CG 3.57Å; V236-L238 PolarHBondContact O-N 3.02Å; V236-A356 HydrophobicContact CB-CB 4.27Å; V236-A356 HydrophobicContact CG1-CB 3.1Å; V236-A356 HydrophobicContact CG2-CB 4.27Å; V236-A372 HydrophobicContact CG2-CB 3.89Å
237	E	64	Low	66.1	Low	189 Å²	189	58.5 Å²	58.5	88%	0.883	32%	0.321	S	S	*	.			trans	-68.9	79.1	169.1	-65.2	-177.2	177.3	0	0	109.7
238	L	60.4	Low	64.4	Low	21 Å²	21	61.3 Å²	61.3	11%	0.11	34%	0.341	C	S	.	.			trans	-75	126.8	176.6	-65.6	174.4	0	0	0	109.5	L233 V236 V240 L241 I244 D352 V353	L233-L238 HydrophobicContact CD2-CB 4.03Å; L233-L238 HydrophobicContact CD2-CD1 4.14Å; L233-L238 HydrophobicContact CD2-CG 4.39Å; V236-L238 HydrophobicContact CB-CD2 4.42Å; V236-L238 HydrophobicContact CB-CG 4.23Å; V236-L238 HydrophobicContact CG1-CD2 3.35Å; V236-L238 HydrophobicContact CG1-CG 3.57Å; V236-L238 PolarHBondContact O-N 3.02Å; L238-V240 VanDerWaalsContact C-N 3.34Å; L238-V240 PolarHBondContact O-N 2.95Å; L238-L241 HydrophobicContact CD1-CD2 3.83Å; L238-I244 HydrophobicContact CD1-CD1 3.74Å; L238-D352 HydrophobicContact CD2-CB 3.78Å; L238-V353 HydrophobicContact CD1-CG2 3.98Å; L238-V353 HydrophobicContact CD2-CG2 4.14Å
239	P	54.9	Low	62.1	Low	114 Å²	114	68.6 Å²	68.6	74%	0.74	38%	0.375	S	S	*	.	S	Bend	trans	-69.8	-29.5	179	26.1	-32.9	0	0	0	112.9
240	V	53.9	Low	59.7	Low	77 Å²	77	79.6 Å²	79.6	47%	0.467	42%	0.415	S	S	.	.			trans	-146.7	139.7	-178.9	-176.3	0	0	0	0	110.3	L238 D242	L238-V240 VanDerWaalsContact C-N 3.34Å; L238-V240 PolarHBondContact O-N 2.95Å; V240-D242 HydrophobicContact CG1-CB 3.94Å
241	L	58.1	Low	57.5	Low	42 Å²	42	81.1 Å²	81.1	22%	0.22	43%	0.427	C	S	.	.			trans	-108	0.3	-177	-81.2	170.1	0	0	0	114.6	L233 L238 S243 I244 L245	L233-L241 HydrophobicContact CD1-CD1 3.43Å; L233-L241 VanDerWaalsContact CD1-CD1 3.43Å; L233-L241 HydrophobicContact CD1-CD2 4.06Å; L233-L241 HydrophobicContact CD1-CG 4.27Å; L233-L241 HydrophobicContact CD2-CD1 3.72Å; L233-L241 HydrophobicContact CD2-CD2 3.62Å; L233-L241 HydrophobicContact CD2-CG 3.8Å; L233-L241 HydrophobicContact CG-CD1 4.07Å; L233-L241 HydrophobicContact CG-CD2 3.98Å; L233-L241 HydrophobicContact CG-CG 4.44Å; L238-L241 HydrophobicContact CD1-CD2 3.83Å; L241-S243 PolarHBondContact O-N 3.5Å; L241-S243 VanDerWaalsContact O-N 3.15Å; L241-I244 HydrophobicContact CD2-CD1 4.15Å; L241-I244 PolarHBondContact O-N 3.34Å; L241-L245 HydrophobicContact CB-CD1 3.68Å; L241-L245 HydrophobicContact CB-CG 4.02Å; L241-L245 HydrophobicContact CD1-CD1 4.36Å; L241-L245 WeakPolarHBondContact O-CG 3.33Å; L241-L245 PolarHBondContact O-N 3.33Å
242	D	54.3	Low	55	Low	116 Å²	116	90.5 Å²	90.5	62%	0.62	46%	0.462	S	S	*	.	H	α-helix	trans	-59.2	-33	-168.2	-71.1	-17.8	0	0	0	113.1	V240 T246	V240-D242 HydrophobicContact CG1-CB 3.94Å; D242-T246 WeakPolarHBondContact O-CB 3.35Å; D242-T246 PolarHBondContact O-N 3.35Å; D242-T246 VanDerWaalsContact O-N 3.17Å; D242-T246 PolarHBondContact O-OG1 3.38Å
243	S	55.3	Low	52.7	Low	37 Å²	37	95.8 Å²	95.8	26%	0.259	49%	0.49	S	S	.	.	H	α-helix	trans	-72.4	-26.2	178.6	53.7	0	0	0	0	114.1	L241 T246 R349	L241-S243 PolarHBondContact O-N 3.5Å; L241-S243 VanDerWaalsContact O-N 3.15Å; S243-T246 PolarHBondContact O-OG1 3.18Å; S243-R349 WeakPolarHBondContact CB-O 3.39Å; S243-R349 PolarHBondContact OG-O 2.77Å
244	I	58.6	Low	50.5	Low	11 Å²	11	104 Å²	104	6%	0.056	52%	0.517	C	S	.	.	H	α-helix	trans	-96.1	-32.6	-177.5	-55.6	174.7	0	0	0	110.9	L229 L238 L241 Y350 V353 L379	L229-I244 HydrophobicContact CD2-CG2 3.27Å; L238-I244 HydrophobicContact CD1-CD1 3.74Å; L241-I244 HydrophobicContact CD2-CD1 4.15Å; L241-I244 PolarHBondContact O-N 3.34Å; I244-Y350 HydrophobicContact CD1-CD1 4.43Å; I244-Y350 HydrophobicContact CG1-CD1 4.09Å; I244-Y350 HydrophobicContact CG1-CE1 4.33Å; I244-Y350 HydrophobicContact CG2-CE1 4.1Å; I244-V353 HydrophobicContact CD1-CG2 3.58Å; I244-L379 HydrophobicContact CG2-CD1 4.46Å
245	L	55.1	Low	48.3	Very low	97 Å²	97	102.5 Å²	102.5	51%	0.508	52%	0.52	S	S	.	.	H	α-helix	trans	-80.5	-22.7	177.7	-65.4	175.9	0	0	0	112.9	L229 L241 S247	L229-L245 HydrophobicContact CD1-CD2 4.14Å; L241-L245 HydrophobicContact CB-CD1 3.68Å; L241-L245 HydrophobicContact CB-CG 4.02Å; L241-L245 HydrophobicContact CD1-CD1 4.36Å; L241-L245 WeakPolarHBondContact O-CG 3.33Å; L241-L245 PolarHBondContact O-N 3.33Å; L245-S247 PolarHBondContact O-N 3.13Å; L245-S247 VanDerWaalsContact O-N 3.16Å
246	T	49.3	Very low	46.3	Very low	83 Å²	83	104.9 Å²	104.9	51%	0.509	54%	0.539	S	S	.	.	S	Bend	trans	-66.9	115.5	173.1	27.4	0	0	0	0	109.9	D242 S243	D242-T246 WeakPolarHBondContact O-CB 3.35Å; D242-T246 PolarHBondContact O-N 3.35Å; D242-T246 VanDerWaalsContact O-N 3.17Å; D242-T246 PolarHBondContact O-OG1 3.38Å; S243-T246 PolarHBondContact O-OG1 3.18Å
247	S	45.3	Very low	44.3	Very low	92 Å²	92	110.2 Å²	110.2	64%	0.643	57%	0.572	S	S	*	*			trans	-48.9	138.6	172.9	63.2	0	0	0	0	109.9	L245 Q249	L245-S247 PolarHBondContact O-N 3.13Å; L245-S247 VanDerWaalsContact O-N 3.16Å; S247-Q249 PolarHBondContact O-N 2.93Å
248	P	46.5	Very low	42.7	Very low	75 Å²	75	105.2 Å²	105.2	49%	0.487	55%	0.554	S	S	.	*			trans	-56.1	114.4	176.8	22.9	-30.8	0	0	0	106.8	R250	P248-R250 PolarHBondContact O-N 3.05Å; P248-R250 VanDerWaalsContact O-N 3.07Å
249	Q	33.3	Very low	41.4	Very low	155 Å²	155	110.5 Å²	110.5	72%	0.724	59%	0.59	S	S	*	*			trans	-46.8	123.6	161.8	-151.7	174.9	14.5	0	0	104.3	S247 V251	S247-Q249 PolarHBondContact O-N 2.93Å; Q249-V251 PolarHBondContact O-N 3.04Å
250	R	31.6	Very low	40.4	Very low	246 Å²	246	112.7 Å²	112.7	93%	0.928	59%	0.594	S	S	*	*			trans	-62.3	75.2	-177.7	-64.7	-171.4	-141.1	153.8	4.7	109.2	P248 R252	P248-R250 PolarHBondContact O-N 3.05Å; P248-R250 VanDerWaalsContact O-N 3.07Å; R250-R252 PolarHBondContact O-N 3.29Å
251	V	30.6	Very low	39.7	Very low	108 Å²	108	113 Å²	113	66%	0.655	61%	0.605	S	S	*	*			trans	-71.6	96.6	159.9	-177	0	0	0	0	101.2	Q249 L253	Q249-V251 PolarHBondContact O-N 3.04Å; V251-L253 PolarHBondContact O-N 3.17Å
252	R	27.5	Very low	38.6	Very low	222 Å²	222	115 Å²	115	84%	0.838	62%	0.622	S	S	*	*			trans	-42.3	117.3	159.4	-80.7	179.8	168.5	169.7	-3.9	104.9	R250 R254	R250-R252 PolarHBondContact O-N 3.29Å; R252-R254 PolarHBondContact O-N 3.2Å
253	L	32.5	Very low	37.9	Very low	112 Å²	112	119.9 Å²	119.9	59%	0.586	63%	0.634	S	S	*	*			trans	-50	101.6	154.2	-113.8	75.1	0	0	0	103.5	V251 S255	V251-L253 PolarHBondContact O-N 3.17Å; L253-S255 PolarHBondContact O-N 3.28Å
254	R	31.1	Very low	36.9	Very low	227 Å²	227	125.3 Å²	125.3	86%	0.857	66%	0.66	S	S	*	*			trans	-65.1	87	158.5	-92.5	-177.8	164.8	167.7	-4.3	102.4	R252 C256	R252-R254 PolarHBondContact O-N 3.2Å; R254-C256 PolarHBondContact O-N 2.91Å
255	S	29.6	Very low	36.2	Very low	94 Å²	94	133.2 Å²	133.2	66%	0.657	70%	0.701	S	S	*	*			trans	-42.3	117.9	151.3	-2.2	0	0	0	0	104.8	L253 T257	L253-S255 PolarHBondContact O-N 3.28Å; S255-T257 VanDerWaalsContact C-N 3.31Å; S255-T257 PolarHBondContact O-N 3.42Å; S255-T257 PolarHBondContact O-OG1 3.27Å; S255-T257 VanDerWaalsContact O-OG1 3.07Å
256	C	30.4	Very low	35.9	Very low	81 Å²	81	134.1 Å²	134.1	55%	0.547	71%	0.71	S	S	.	*			trans	-41.9	96.9	-177.1	-65.7	0	0	0	0	110	R254	R254-C256 PolarHBondContact O-N 2.91Å
257	T	28.9	Very low	35.7	Very low	116 Å²	116	137.2 Å²	137.2	71%	0.712	72%	0.723	S	S	*	*			trans	-115.4	89.3	163.1	21.1	0	0	0	0	102.3	S255	S255-T257 VanDerWaalsContact C-N 3.31Å; S255-T257 PolarHBondContact O-N 3.42Å; S255-T257 PolarHBondContact O-OG1 3.27Å; S255-T257 VanDerWaalsContact O-OG1 3.07Å
258	T	29.6	Very low	35.4	Very low	84 Å²	84	137.1 Å²	137.1	52%	0.515	72%	0.722	S	S	.	*			trans	-40	124.7	159.4	35.6	0	0	0	0	108.4	L260	T258-L260 PolarHBondContact O-N 3.3Å
259	P	32.9	Very low	34.9	Very low	132 Å²	132	139.8 Å²	139.8	86%	0.857	73%	0.732	S	S	*	*			trans	-78.6	72.8	169.7	32.2	-29.5	0	0	0	107.4
260	L	34.4	Very low	35.6	Very low	160 Å²	160	139 Å²	139	84%	0.838	74%	0.738	S	S	*	*			trans	-89.8	109.4	159.9	-154.8	70.4	0	0	0	106.4	T258	T258-L260 PolarHBondContact O-N 3.3Å
261	A	38.3	Very low	36	Very low	83 Å²	83	132.7 Å²	132.7	69%	0.686	73%	0.73	S	S	*	*			trans	-47.7	143.7	175.2	0	0	0	0	0	110.8
262	S	36.6	Very low	36.4	Very low	84 Å²	84	134.3 Å²	134.3	59%	0.587	74%	0.735	S	S	*	*	S	Bend	trans	99.4	98.2	156.1	-51.7	0	0	0	0	117.5
263	Y	39.1	Very low	37	Very low	219 Å²	219	132.3 Å²	132.3	86%	0.859	73%	0.734	S	S	*	*			trans	84.1	136.3	151.2	-35.6	-62.6	0	0	0	119.8
264	D	33.6	Very low	37.8	Very low	151 Å²	151	134.7 Å²	134.7	81%	0.807	74%	0.736	S	S	*	*			trans	71	99.5	175.8	-73.9	-10.1	0	0	0	120	V266	D264-V266 PolarHBondContact O-N 3.41Å
265	L	44.9	Very low	38.4	Very low	176 Å²	176	130.8 Å²	130.8	92%	0.921	73%	0.732	S	S	*	*			trans	-64.2	80.7	161.1	-78.3	149.2	0	0	0	110.1	I267	L265-I267 PolarHBondContact O-N 3.16Å
266	V	47.3	Very low	39.3	Very low	116 Å²	116	128 Å²	128	70%	0.703	71%	0.709	S	S	*	*			trans	-77	107.2	161.6	-177.9	0	0	0	0	107.4	D264 S268	D264-V266 PolarHBondContact O-N 3.41Å; V266-S268 PolarHBondContact O-N 3.21Å
267	I	45.8	Very low	40.1	Very low	149 Å²	149	127 Å²	127	76%	0.764	70%	0.702	S	S	*	*			trans	-72	97.6	168.6	-58.4	171.7	0	0	0	106.4	L265 N269	L265-I267 PolarHBondContact O-N 3.16Å; I267-N269 PolarHBondContact O-N 3.03Å
268	S	38.3	Very low	41.1	Very low	90 Å²	90	128.9 Å²	128.9	63%	0.629	71%	0.708	S	S	*	*			trans	-65.8	107.7	173	-53.7	0	0	0	0	109	V266 T270	V266-S268 PolarHBondContact O-N 3.21Å; S268-T270 PolarHBondContact O-N 2.68Å
269	N	37.3	Very low	41.8	Very low	131 Å²	131	129.3 Å²	129.3	70%	0.701	71%	0.71	S	S	*	*			trans	-63.5	102.4	168.8	-96	-19.3	0	0	0	108.4	I267 C271	I267-N269 PolarHBondContact O-N 3.03Å; N269-C271 PolarHBondContact O-N 2.9Å
270	T	46.5	Very low	42.6	Very low	137 Å²	137	123.1 Å²	123.1	84%	0.84	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	18.5	177.8	41.8	0	0	0	0	113.8	S268	S268-T270 PolarHBondContact O-N 2.68Å
271	C	41.5	Very low	43.4	Very low	114 Å²	114	119.3 Å²	119.3	77%	0.77	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117	7.2	-172.5	-56.8	0	0	0	0	114	N269	N269-C271 PolarHBondContact O-N 2.9Å
272	L	37.9	Very low	44.1	Very low	143 Å²	143	116 Å²	116	75%	0.749	63%	0.627	S	S	*	*	S	Bend	trans	-95.3	130.8	165.9	-65.1	177.5	0	0	0	108.1	R274	L272-R274 PolarHBondContact O-N 3.44Å; L272-R274 VanDerWaalsContact O-N 3.09Å
273	E	40.8	Very low	44.9	Very low	179 Å²	179	118 Å²	118	84%	0.836	63%	0.631	S	S	*	*			trans	-45.3	115.3	164.1	-156.8	159.7	-159.7	0	0	106.8	D275	E273-D275 PolarHBondContact O-N 2.58Å
274	R	49.3	Very low	45.6	Very low	163 Å²	163	116 Å²	116	62%	0.615	63%	0.629	S	S	*	*			trans	-74.3	96.7	-176.2	-87.9	-166.3	-91.4	-174.6	3	107.1	L272 L276 D301	L272-R274 PolarHBondContact O-N 3.44Å; L272-R274 VanDerWaalsContact O-N 3.09Å; R274-L276 PolarHBondContact O-N 3.29Å; R274-D301 IonicContact NH1-OD1 2.73Å
275	D	43.5	Very low	46.7	Very low	145 Å²	145	115.2 Å²	115.2	78%	0.775	62%	0.624	S	S	*	*			trans	-62	109.8	168.7	-65	-34.1	0	0	0	107.7	E273	E273-D275 PolarHBondContact O-N 2.58Å
276	L	48.9	Very low	47.9	Very low	34 Å²	34	109.6 Å²	109.6	18%	0.178	60%	0.595	C	S	.	*			trans	-55.3	130.5	167.5	-144.4	76.7	0	0	0	106.3	R274 D278 L280 A293 E297	R274-L276 PolarHBondContact O-N 3.29Å; L276-D278 PolarHBondContact O-N 2.72Å; L276-L280 HydrophobicContact CD1-CD1 4.47Å; L276-L280 HydrophobicContact CD2-CB 3.57Å; L276-L280 HydrophobicContact CD2-CD1 3.89Å; L276-L280 HydrophobicContact CD2-CG 4.39Å; L276-L280 HydrophobicContact CG-CB 4.07Å; L276-L280 HydrophobicContact CG-CD1 3.85Å; L276-A293 HydrophobicContact CD2-CB 4.38Å; L276-E297 HydrophobicContact CD1-CG 4.14Å
277	P	47.9	Very low	49.3	Very low	60 Å²	60	107.4 Å²	107.4	39%	0.39	59%	0.585	S	S	.	*			trans	-54.5	137.4	-177.1	20.6	-32.1	0	0	0	110	T279 L280	P277-T279 PolarHBondContact O-N 3.47Å; P277-L280 HydrophobicContact CG-CD1 4.2Å; P277-L280 HydrophobicContact CG-CG 4.48Å; P277-L280 PolarHBondContact O-N 3.09Å
278	D	48.2	Very low	51	Low	157 Å²	157	100.4 Å²	100.4	84%	0.84	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-50.8	-16.7	-176.1	-76.8	-37.3	0	0	0	114.4	L276 L280 S281	L276-D278 PolarHBondContact O-N 2.72Å; D278-L280 VanDerWaalsContact C-N 3.25Å; D278-L280 PolarHBondContact O-N 2.88Å; D278-S281 PolarHBondContact O-OG 3.37Å
279	T	44.6	Very low	52.8	Low	92 Å²	92	96.3 Å²	96.3	56%	0.564	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-66.6	-19.4	171.5	48.7	0	0	0	0	114.4	P277	P277-T279 PolarHBondContact O-N 3.47Å
280	L	51	Low	54.7	Low	3 Å²	3	92 Å²	92	2%	0.016	50%	0.5	C	S	.	.	G	3₁₀ helix	trans	-104.5	40.8	177.7	-64.8	177.1	0	0	0	111.4	L276 P277 D278 L282 I304 L311	L276-L280 HydrophobicContact CD1-CD1 4.47Å; L276-L280 HydrophobicContact CD2-CB 3.57Å; L276-L280 HydrophobicContact CD2-CD1 3.89Å; L276-L280 HydrophobicContact CD2-CG 4.39Å; L276-L280 HydrophobicContact CG-CB 4.07Å; L276-L280 HydrophobicContact CG-CD1 3.85Å; P277-L280 HydrophobicContact CG-CD1 4.2Å; P277-L280 HydrophobicContact CG-CG 4.48Å; P277-L280 PolarHBondContact O-N 3.09Å; D278-L280 VanDerWaalsContact C-N 3.25Å; D278-L280 PolarHBondContact O-N 2.88Å; L280-L282 HydrophobicContact CB-CD1 4.41Å; L280-L282 HydrophobicContact CD2-CD1 3.93Å; L280-L282 PolarHBondContact O-N 3.29Å; L280-I304 HydrophobicContact CD1-CG2 3.89Å; L280-L311 HydrophobicContact CD2-CD2 3.71Å
281	S	50.5	Low	56.2	Low	79 Å²	79	85.6 Å²	85.6	55%	0.552	46%	0.461	S	S	*	.			trans	-66.9	43.3	169.4	23.3	0	0	0	0	112.5	D278 L283	D278-S281 PolarHBondContact O-OG 3.37Å; S281-L283 PolarHBondContact O-N 2.82Å
282	L	53	Low	58	Low	15 Å²	15	80.2 Å²	80.2	8%	0.079	42%	0.424	C	S	.	.	G	3₁₀ helix	trans	-70.6	-15.2	172.5	-63.6	173.1	0	0	0	112.5	L280 Q284 L289 L311 L329	L280-L282 HydrophobicContact CB-CD1 4.41Å; L280-L282 HydrophobicContact CD2-CD1 3.93Å; L280-L282 PolarHBondContact O-N 3.29Å; L282-Q284 PolarHBondContact O-N 3.4Å; L282-L289 HydrophobicContact CB-CB 4.26Å; L282-L289 HydrophobicContact CD2-CD1 4.32Å; L282-L289 HydrophobicContact CD2-CD2 4.16Å; L282-L311 HydrophobicContact CD1-CD2 3.75Å; L282-L311 HydrophobicContact CD2-CD2 3.58Å; L282-L311 HydrophobicContact CG-CD2 4.03Å; L282-L329 HydrophobicContact CD1-CD1 4.29Å
283	L	52.2	Low	59.8	Low	125 Å²	125	73.5 Å²	73.5	65%	0.654	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-62	-17.9	-179.3	-78.5	148.7	0	0	0	113.7	S281	S281-L283 PolarHBondContact O-N 2.82Å
284	Q	54.3	Low	61.6	Low	178 Å²	178	68 Å²	68	83%	0.832	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-104.2	-3	-171.6	-99.2	178.7	-6.2	0	0	116.7	L282	L282-Q284 PolarHBondContact O-N 3.4Å
285	L	57.6	Low	63	Low	134 Å²	134	60.2 Å²	60.2	70%	0.702	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.3	-29.7	-168.8	-79.2	98.8	0	0	0	117.4	L289	L285-L289 HydrophobicContact CB-CD1 4.41Å
286	D	70	Confident	64.5	Low	57 Å²	57	53.3 Å²	53.3	31%	0.305	30%	0.3	S	S	.	.			trans	-161.9	142	-176	-161.2	-16.9	0	0	0	113	W288 L289 S290 K326	D286-W288 PolarHBondContact O-N 3.2Å; D286-W288 PolarHBondContact OD1-N 2.91Å; D286-L289 HydrophobicContact CB-CB 4.34Å; D286-L289 HydrophobicContact CB-CD1 4.08Å; D286-L289 HydrophobicContact CB-CG 4.17Å; D286-L289 PolarHBondContact O-N 2.85Å; D286-S290 PolarHBondContact O-N 3.3Å; D286-K326 VanDerWaalsContact OD2-CE 3.28Å; D286-K326 WeakPolarHBondContact OD2-CE 3.37Å; D286-K326 IonicContact OD2-NZ 3.26Å; D286-K326 PolarHBondContact OD2-NZ 3.2Å
287	S	75.6	Confident	65.9	Low	70 Å²	70	55.2 Å²	55.2	49%	0.49	31%	0.308	S	S	.	.	H	α-helix	trans	-51	-37.3	171.9	61.8	0	0	0	0	112.7	S290 A291	S287-S290 PolarHBondContact O-OG 2.8Å; S287-A291 PolarHBondContact O-N 3.35Å
288	W	81.9	Confident	67	Low	2 Å²	2	54.8 Å²	54.8	1%	0.008	30%	0.302	C	S	.	.	H	α-helix	trans	-66.5	-42.7	176.9	-170.2	99.4	0	0	0	112.7	D286 A291 A292 K326 L329 F330 F394 I397 A403	D286-W288 PolarHBondContact O-N 3.2Å; D286-W288 PolarHBondContact OD1-N 2.91Å; W288-A291 PolarHBondContact O-N 3.49Å; W288-A292 HydrophobicContact CE3-CB 4.27Å; W288-A292 HydrophobicContact CH2-CB 4.42Å; W288-A292 HydrophobicContact CZ3-CB 3.92Å; W288-A292 WeakPolarHBondContact O-CB 3.29Å; W288-A292 PolarHBondContact O-N 3.07Å; W288-K326 HydrophobicContact CD2-CB 4.45Å; W288-K326 HydrophobicContact CD2-CD 4.03Å; W288-K326 HydrophobicContact CD2-CG 4.07Å; W288-K326 HydrophobicContact CE3-CB 4.03Å; W288-K326 HydrophobicContact CE3-CD 3.91Å; W288-K326 HydrophobicContact CE3-CG 3.5Å; W288-K326 VanDerWaalsContact CE3-CG 3.5Å; W288-K326 HydrophobicContact CG-CD 4.44Å; W288-K326 HydrophobicContact CH2-CB 3.73Å; W288-K326 HydrophobicContact CH2-CG 4.15Å; W288-K326 WeakPolarHBondContact CH2-O 3.2Å; W288-K326 HydrophobicContact CZ2-CB 4.12Å; W288-K326 HydrophobicContact CZ3-CB 3.67Å; W288-K326 HydrophobicContact CZ3-CD 4.41Å; W288-K326 HydrophobicContact CZ3-CG 3.56Å; W288-L329 HydrophobicContact CH2-CB 3.89Å; W288-L329 HydrophobicContact CZ3-CB 4.04Å; W288-L329 HydrophobicContact CZ3-CD1 3.97Å; W288-F330 HydrophobicContact CH2-CB 4.45Å; W288-F330 HydrophobicContact CZ2-CB 4.3Å; W288-F394 HydrophobicContact CD2-CE2 4.33Å; W288-F394 AromaticContact CE2-CE2 3.77Å; W288-F394 AromaticContact CH2-CE2 3.85Å; W288-F394 HydrophobicContact CH2-CE2 3.85Å; W288-F394 HydrophobicContact CH2-CZ 4.06Å; W288-F394 AromaticContact CZ2-CE2 3.54Å; W288-F394 HydrophobicContact CZ2-CE2 3.54Å; W288-F394 AromaticContact CZ2-CZ 3.66Å; W288-F394 HydrophobicContact CZ2-CZ 3.66Å; W288-F394 HydrophobicContact CZ3-CE2 4.39Å; W288-I397 HydrophobicContact CB-CG2 3.98Å; W288-I397 HydrophobicContact CG-CG2 4.31Å; W288-A403 HydrophobicContact CB-CB 4.42Å; W288-A403 HydrophobicContact CG-CB 4.34Å
289	L	75.4	Confident	68.2	Low	5 Å²	5	47.3 Å²	47.3	3%	0.026	26%	0.262	C	S	.	.	H	α-helix	trans	-72.1	-34.9	-177.9	-70.2	172	0	0	0	111.5	L282 L285 D286 A292 A293 K326 L329	L282-L289 HydrophobicContact CB-CB 4.26Å; L282-L289 HydrophobicContact CD2-CD1 4.32Å; L282-L289 HydrophobicContact CD2-CD2 4.16Å; L285-L289 HydrophobicContact CB-CD1 4.41Å; D286-L289 HydrophobicContact CB-CB 4.34Å; D286-L289 HydrophobicContact CB-CD1 4.08Å; D286-L289 HydrophobicContact CB-CG 4.17Å; D286-L289 PolarHBondContact O-N 2.85Å; L289-A292 PolarHBondContact O-N 2.94Å; L289-A293 WeakPolarHBondContact O-CB 3.25Å; L289-A293 PolarHBondContact O-N 3.11Å; L289-K326 HydrophobicContact CD2-CG 4.02Å; L289-L329 HydrophobicContact CD2-CD1 3.71Å
290	S	77.5	Confident	69.5	Low	40 Å²	40	45 Å²	45	28%	0.28	25%	0.248	S	C	.	.	H	α-helix	trans	-63.1	-45.9	172.3	66.4	0	0	0	0	112.2	D286 S287 A292 A293 D294	D286-S290 PolarHBondContact O-N 3.3Å; S287-S290 PolarHBondContact O-OG 2.8Å; S290-A292 VanDerWaalsContact C-N 3.29Å; S290-A292 PolarHBondContact O-N 3.36Å; S290-A293 WeakPolarHBondContact O-CB 3.25Å; S290-A293 PolarHBondContact O-N 3.16Å; S290-A293 VanDerWaalsContact O-N 3.13Å; S290-D294 PolarHBondContact O-N 3.11Å
291	A	78.3	Confident	70.2	Confident	3 Å²	3	49.8 Å²	49.8	3%	0.025	27%	0.274	C	S	.	.	H	α-helix	trans	-65.8	-32.3	176.9	0	0	0	0	0	112.8	S287 W288 C295 F394 I397	S287-A291 PolarHBondContact O-N 3.35Å; W288-A291 PolarHBondContact O-N 3.49Å; A291-C295 PolarHBondContact O-N 3Å; A291-C295 PolarHBondContact O-SG 3.07Å; A291-C295 VanDerWaalsContact O-SG 3.34Å; A291-F394 HydrophobicContact CB-CB 4.34Å; A291-F394 HydrophobicContact CB-CD2 4.35Å; A291-I397 HydrophobicContact CB-CD1 3.64Å
292	A	80.2	Confident	70.9	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-67.1	-43.8	171.9	0	0	0	0	0	111.3	W288 L289 S290 C295 L296 I333 F394	W288-A292 HydrophobicContact CE3-CB 4.27Å; W288-A292 HydrophobicContact CH2-CB 4.42Å; W288-A292 HydrophobicContact CZ3-CB 3.92Å; W288-A292 WeakPolarHBondContact O-CB 3.29Å; W288-A292 PolarHBondContact O-N 3.07Å; L289-A292 PolarHBondContact O-N 2.94Å; S290-A292 VanDerWaalsContact C-N 3.29Å; S290-A292 PolarHBondContact O-N 3.36Å; A292-C295 WeakPolarHBondContact O-CB 3.23Å; A292-C295 PolarHBondContact O-N 3.18Å; A292-C295 VanDerWaalsContact O-N 3.16Å; A292-L296 WeakPolarHBondContact O-CG 3.26Å; A292-L296 PolarHBondContact O-N 3.21Å; A292-I333 HydrophobicContact CB-CD1 4.21Å; A292-F394 HydrophobicContact CB-CD2 4.05Å; A292-F394 HydrophobicContact CB-CE2 3.76Å
293	A	75.3	Confident	71.6	Confident	2 Å²	2	54.8 Å²	54.8	2%	0.017	29%	0.29	C	S	.	.	H	α-helix	trans	-60.7	-44.1	176.6	0	0	0	0	0	111.7	L276 L289 S290 C295 L296 E297	L276-A293 HydrophobicContact CD2-CB 4.38Å; L289-A293 WeakPolarHBondContact O-CB 3.25Å; L289-A293 PolarHBondContact O-N 3.11Å; S290-A293 WeakPolarHBondContact O-CB 3.25Å; S290-A293 PolarHBondContact O-N 3.16Å; S290-A293 VanDerWaalsContact O-N 3.13Å; A293-C295 PolarHBondContact O-N 2.96Å; A293-L296 WeakPolarHBondContact O-CB 3.47Å; A293-L296 PolarHBondContact O-N 3.49Å; A293-E297 PolarHBondContact O-N 3.19Å; A293-E297 VanDerWaalsContact O-N 3.11Å
294	D	78.3	Confident	72.4	Confident	64 Å²	64	49.4 Å²	49.4	34%	0.342	26%	0.262	S	S	.	.	H	α-helix	trans	-57.4	-34.9	175.5	-69.4	-17.1	0	0	0	112.2	S290 R390	S290-D294 PolarHBondContact O-N 3.11Å; D294-R390 HydrophobicContact CB-CG 4.48Å; D294-R390 WeakPolarHBondContact O-CD 3.25Å; D294-R390 PolarHBondContact O-NH1 2.91Å
295	C	77.9	Confident	72.9	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-73.3	-36.9	174.9	-68.9	0	0	0	0	112.3	A291 A292 A293 E297 L298 F299 I333 R390	A291-C295 PolarHBondContact O-N 3Å; A291-C295 PolarHBondContact O-SG 3.07Å; A291-C295 VanDerWaalsContact O-SG 3.34Å; A292-C295 WeakPolarHBondContact O-CB 3.23Å; A292-C295 PolarHBondContact O-N 3.18Å; A292-C295 VanDerWaalsContact O-N 3.16Å; A293-C295 PolarHBondContact O-N 2.96Å; C295-E297 VanDerWaalsContact C-N 3.32Å; C295-E297 PolarHBondContact O-N 3.45Å; C295-L298 WeakPolarHBondContact O-CB 3.47Å; C295-L298 PolarHBondContact O-N 3.47Å; C295-F299 WeakPolarHBondContact O-CD1 3.49Å; C295-F299 WeakPolarHBondContact O-CE1 3.31Å; C295-I333 HydrophobicContact CB-CD1 4.36Å; C295-R390 PolarHBondContact SG-O 2.83Å
296	L	76.1	Confident	73.1	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-67.5	-29	-180	-69.8	174	0	0	0	112.8	A292 A293 L298 F299 I304 L329 I333	A292-L296 WeakPolarHBondContact O-CG 3.26Å; A292-L296 PolarHBondContact O-N 3.21Å; A293-L296 WeakPolarHBondContact O-CB 3.47Å; A293-L296 PolarHBondContact O-N 3.49Å; L296-L298 PolarHBondContact O-N 3.02Å; L296-L298 VanDerWaalsContact O-N 3.07Å; L296-F299 HydrophobicContact CD2-CD2 3.68Å; L296-F299 HydrophobicContact CD2-CE2 3.74Å; L296-F299 HydrophobicContact CD2-CG 4.43Å; L296-F299 WeakPolarHBondContact O-CB 3.38Å; L296-F299 PolarHBondContact O-N 2.93Å; L296-I304 VanDerWaalsContact O-CD1 3.27Å; L296-I304 WeakPolarHBondContact O-CD1 3.38Å; L296-L329 HydrophobicContact CD1-CD2 3.92Å; L296-I333 HydrophobicContact CD2-CG1 4.47Å
297	E	77.4	Confident	72.7	Confident	74 Å²	74	40.3 Å²	40.3	35%	0.346	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-23.6	174.3	-70.9	-176	173	0	0	113.7	L276 A293 C295 F299 R390	L276-E297 HydrophobicContact CD1-CG 4.14Å; A293-E297 PolarHBondContact O-N 3.19Å; A293-E297 VanDerWaalsContact O-N 3.11Å; C295-E297 VanDerWaalsContact C-N 3.32Å; C295-E297 PolarHBondContact O-N 3.45Å; E297-F299 VanDerWaalsContact C-N 3.34Å; E297-R390 IonicContact OE2-CZ 2.71Å; E297-R390 IonicContact OE2-NH1 2.81Å; E297-R390 PolarHBondContact OE2-NH1 3.39Å; E297-R390 IonicContact OE2-NH2 3.43Å
298	L	70.8	Confident	72.2	Confident	50 Å²	50	37.3 Å²	37.3	26%	0.262	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-11.1	178.5	-58.8	177.7	0	0	0	112.8	C295 L296 E387	C295-L298 WeakPolarHBondContact O-CB 3.47Å; C295-L298 PolarHBondContact O-N 3.47Å; L296-L298 PolarHBondContact O-N 3.02Å; L296-L298 VanDerWaalsContact O-N 3.07Å; L298-E387 HydrophobicContact CD1-CB 3.81Å; L298-E387 HydrophobicContact CD1-CG 3.78Å
299	F	74.6	Confident	71.3	Confident	1 Å²	1	42.6 Å²	42.6	0%	0.004	23%	0.225	C	C	.	.	S	Bend	trans	-85.8	156.4	-172.1	-68.6	17.2	0	0	0	110.5	C295 L296 E297 I304 I333 Y336 Y337	C295-F299 WeakPolarHBondContact O-CD1 3.49Å; C295-F299 WeakPolarHBondContact O-CE1 3.31Å; L296-F299 HydrophobicContact CD2-CD2 3.68Å; L296-F299 HydrophobicContact CD2-CE2 3.74Å; L296-F299 HydrophobicContact CD2-CG 4.43Å; L296-F299 WeakPolarHBondContact O-CB 3.38Å; L296-F299 PolarHBondContact O-N 2.93Å; E297-F299 VanDerWaalsContact C-N 3.34Å; F299-I304 HydrophobicContact CB-CD1 4.48Å; F299-I304 HydrophobicContact CB-CG1 4.07Å; F299-I304 WeakPolarHBondContact O-CD1 3.44Å; F299-I333 HydrophobicContact CE2-CG1 4.08Å; F299-I333 HydrophobicContact CZ-CB 4.25Å; F299-I333 HydrophobicContact CZ-CG1 3.93Å; F299-I333 HydrophobicContact CZ-CG2 4.23Å; F299-Y336 AromaticContact CD1-CD1 3.53Å; F299-Y336 HydrophobicContact CD1-CD1 3.53Å; F299-Y336 AromaticContact CD1-CE1 3.33Å; F299-Y336 HydrophobicContact CD1-CE1 3.33Å; F299-Y336 HydrophobicContact CD1-CG 4.19Å; F299-Y336 AromaticContact CD1-CZ 3.96Å; F299-Y336 HydrophobicContact CD2-CD1 4.23Å; F299-Y336 HydrophobicContact CD2-CG 4.15Å; F299-Y336 AromaticContact CE1-CD1 3.12Å; F299-Y336 HydrophobicContact CE1-CD1 3.12Å; F299-Y336 AromaticContact CE1-CE1 3.31Å; F299-Y336 HydrophobicContact CE1-CE1 3.31Å; F299-Y336 AromaticContact CE1-CG 3.97Å; F299-Y336 HydrophobicContact CE1-CG 3.97Å; F299-Y336 AromaticContact CE2-CD1 3.86Å; F299-Y336 HydrophobicContact CE2-CD1 3.86Å; F299-Y336 AromaticContact CE2-CG 3.89Å; F299-Y336 HydrophobicContact CE2-CG 3.89Å; F299-Y336 HydrophobicContact CG-CD1 4.09Å; F299-Y336 HydrophobicContact CG-CE1 4.08Å; F299-Y336 HydrophobicContact CG-CG 4.31Å; F299-Y336 AromaticContact CZ-CD1 3.3Å; F299-Y336 HydrophobicContact CZ-CD1 3.3Å; F299-Y336 AromaticContact CZ-CE1 4Å; F299-Y336 HydrophobicContact CZ-CE1 4Å; F299-Y336 AromaticContact CZ-CG 3.81Å; F299-Y336 HydrophobicContact CZ-CG 3.81Å; F299-Y337 AromaticContact CE1-CE2 3.96Å; F299-Y337 HydrophobicContact CE1-CE2 3.96Å; F299-Y337 HydrophobicContact CZ-CD2 4.49Å; F299-Y337 HydrophobicContact CZ-CE2 4.02Å
300	P	71.9	Confident	70.5	Confident	42 Å²	42	46.3 Å²	46.3	27%	0.273	24%	0.242	S	C	.	.			trans	-64.4	141.5	171.7	25.7	-33.9	0	0	0	111	Q302 L303 I304	P300-Q302 PolarHBondContact O-N 2.85Å; P300-L303 HydrophobicContact CG-CB 4.33Å; P300-L303 HydrophobicContact CG-CD1 3.75Å; P300-L303 HydrophobicContact CG-CG 4Å; P300-L303 PolarHBondContact O-N 3.47Å; P300-I304 PolarHBondContact O-N 3.04Å
301	D	65.4	Low	69.7	Low	104 Å²	104	44.7 Å²	44.7	56%	0.556	23%	0.23	S	C	*	.	H	α-helix	trans	-53.7	-28.6	-173.8	-54.5	-20	0	0	0	113.3	R274 I304 M305	R274-D301 IonicContact NH1-OD1 2.73Å; D301-I304 PolarHBondContact O-N 3.37Å; D301-M305 WeakPolarHBondContact O-CB 2.98Å; D301-M305 PolarHBondContact O-N 2.82Å
302	Q	65.8	Low	68.8	Low	131 Å²	131	46.4 Å²	46.4	61%	0.612	25%	0.248	S	C	*	.	H	α-helix	trans	-64.9	-40.2	176.1	-63.4	167	17.5	0	0	112.8	P300 V306	P300-Q302 PolarHBondContact O-N 2.85Å; Q302-V306 VanDerWaalsContact O-CG2 3.28Å; Q302-V306 WeakPolarHBondContact O-CG2 3.26Å; Q302-V306 PolarHBondContact O-N 3.36Å
303	L	67.7	Low	67.6	Low	68 Å²	68	54 Å²	54	36%	0.356	28%	0.283	S	S	.	.	H	α-helix	trans	-72.6	-38.2	175.7	-72.2	177.2	0	0	0	110.7	P300 V306 T307 Y336	P300-L303 HydrophobicContact CG-CB 4.33Å; P300-L303 HydrophobicContact CG-CD1 3.75Å; P300-L303 HydrophobicContact CG-CG 4Å; P300-L303 PolarHBondContact O-N 3.47Å; L303-V306 PolarHBondContact O-N 2.83Å; L303-T307 WeakPolarHBondContact O-CG2 3.32Å; L303-T307 PolarHBondContact O-N 2.77Å; L303-T307 PolarHBondContact O-OG1 3.23Å; L303-T307 VanDerWaalsContact O-OG1 3.09Å; L303-Y336 HydrophobicContact CD1-CD2 3.67Å; L303-Y336 HydrophobicContact CD1-CE2 4.22Å
304	I	68.5	Low	66.5	Low	13 Å²	13	57.6 Å²	57.6	7%	0.067	30%	0.299	C	S	.	.	H	α-helix	trans	-61.5	-46.3	177.2	-59	175.3	0	0	0	110.2	L280 L296 F299 P300 D301 T307 G308	L280-I304 HydrophobicContact CD1-CG2 3.89Å; L296-I304 VanDerWaalsContact O-CD1 3.27Å; L296-I304 WeakPolarHBondContact O-CD1 3.38Å; F299-I304 HydrophobicContact CB-CD1 4.48Å; F299-I304 HydrophobicContact CB-CG1 4.07Å; F299-I304 WeakPolarHBondContact O-CD1 3.44Å; P300-I304 PolarHBondContact O-N 3.04Å; D301-I304 PolarHBondContact O-N 3.37Å; I304-T307 WeakPolarHBondContact CA-OG1 3.27Å; I304-T307 PolarHBondContact O-N 2.95Å; I304-T307 PolarHBondContact O-OG1 3.29Å; I304-G308 PolarHBondContact O-N 3.34Å
305	M	65.3	Low	65.1	Low	110 Å²	110	61.1 Å²	61.1	54%	0.542	32%	0.318	S	S	.	.	H	α-helix	trans	-60.8	-47.5	177.7	-174.4	173.4	61.5	0	0	111.8	D301 T307 G308 E309	D301-M305 WeakPolarHBondContact O-CB 2.98Å; D301-M305 PolarHBondContact O-N 2.82Å; M305-T307 VanDerWaalsContact C-N 3.33Å; M305-T307 PolarHBondContact O-N 3.18Å; M305-G308 PolarHBondContact O-N 3.23Å; M305-E309 WeakPolarHBondContact O-CG 3.45Å; M305-E309 PolarHBondContact O-N 3.34Å
306	V	62.3	Low	63.7	Low	64 Å²	64	62.5 Å²	62.5	39%	0.388	33%	0.332	S	S	.	.	H	α-helix	trans	-62.2	-39.7	176.7	172.3	0	0	0	0	111.5	Q302 L303 Q310	Q302-V306 VanDerWaalsContact O-CG2 3.28Å; Q302-V306 WeakPolarHBondContact O-CG2 3.26Å; Q302-V306 PolarHBondContact O-N 3.36Å; L303-V306 PolarHBondContact O-N 2.83Å; V306-Q310 VanDerWaalsContact O-CG 3.23Å; V306-Q310 WeakPolarHBondContact O-CG 3.49Å; V306-Q310 PolarHBondContact O-N 3.13Å; V306-Q310 VanDerWaalsContact O-N 3.13Å
307	T	60.8	Low	62.7	Low	4 Å²	4	70.4 Å²	70.4	3%	0.025	37%	0.374	C	S	.	.	H	α-helix	trans	-67.6	-39.7	175	52.3	0	0	0	0	112.7	L303 I304 M305 Q310 L311 T332	L303-T307 WeakPolarHBondContact O-CG2 3.32Å; L303-T307 PolarHBondContact O-N 2.77Å; L303-T307 PolarHBondContact O-OG1 3.23Å; L303-T307 VanDerWaalsContact O-OG1 3.09Å; I304-T307 WeakPolarHBondContact CA-OG1 3.27Å; I304-T307 PolarHBondContact O-N 2.95Å; I304-T307 PolarHBondContact O-OG1 3.29Å; M305-T307 VanDerWaalsContact C-N 3.33Å; M305-T307 PolarHBondContact O-N 3.18Å; T307-Q310 PolarHBondContact O-N 3.09Å; T307-L311 WeakPolarHBondContact O-CB 3.41Å; T307-L311 PolarHBondContact O-N 3.33Å; T307-T332 HydrophobicContact CG2-CG2 3.22Å
308	G	64.1	Low	61.9	Low	7 Å²	7	72 Å²	72	7%	0.072	39%	0.385	C	S	.	.	H	α-helix	trans	-65.9	-40.7	178.7	0	0	0	0	0	112.2	I304 M305 L311 G312	I304-G308 PolarHBondContact O-N 3.34Å; M305-G308 PolarHBondContact O-N 3.23Å; G308-L311 PolarHBondContact O-N 2.78Å; G308-G312 PolarHBondContact O-N 3.21Å
309	E	63.4	Low	61.5	Low	113 Å²	113	73.8 Å²	73.8	53%	0.528	41%	0.407	S	S	.	.	H	α-helix	trans	-60.7	-48.3	172.3	-72.9	175.4	-179.3	0	0	111	M305 L311 G312 H313	M305-E309 WeakPolarHBondContact O-CG 3.45Å; M305-E309 PolarHBondContact O-N 3.34Å; E309-L311 VanDerWaalsContact C-N 3.29Å; E309-L311 PolarHBondContact O-N 3.12Å; E309-G312 PolarHBondContact O-N 2.88Å; E309-H313 PolarHBondContact O-N 2.95Å; E309-H313 PolarHBondContact O-ND1 3.18Å
310	Q	59.8	Low	61.1	Low	82 Å²	82	81.8 Å²	81.8	38%	0.383	45%	0.445	S	S	.	.	H	α-helix	trans	-66.6	-29.5	179.5	-66	172.5	7.8	0	0	113.1	V306 T307 L328	V306-Q310 VanDerWaalsContact O-CG 3.23Å; V306-Q310 WeakPolarHBondContact O-CG 3.49Å; V306-Q310 PolarHBondContact O-N 3.13Å; V306-Q310 VanDerWaalsContact O-N 3.13Å; T307-Q310 PolarHBondContact O-N 3.09Å; Q310-L328 HydrophobicContact CB-CD2 3.68Å
311	L	60.5	Low	60.9	Low	7 Å²	7	82.5 Å²	82.5	4%	0.037	44%	0.444	C	S	.	.	H	α-helix	trans	-74.7	-37.7	175.6	-138.4	72.5	0	0	0	112.2	L280 L282 T307 G308 E309 H313 H314 Q325 L328 L329	L280-L311 HydrophobicContact CD2-CD2 3.71Å; L282-L311 HydrophobicContact CD1-CD2 3.75Å; L282-L311 HydrophobicContact CD2-CD2 3.58Å; L282-L311 HydrophobicContact CG-CD2 4.03Å; T307-L311 WeakPolarHBondContact O-CB 3.41Å; T307-L311 PolarHBondContact O-N 3.33Å; G308-L311 PolarHBondContact O-N 2.78Å; E309-L311 VanDerWaalsContact C-N 3.29Å; E309-L311 PolarHBondContact O-N 3.12Å; L311-H313 VanDerWaalsContact C-N 3.27Å; L311-H313 PolarHBondContact O-N 3.27Å; L311-H314 PolarHBondContact O-N 3.13Å; L311-Q325 HydrophobicContact CD1-CB 3.96Å; L311-Q325 HydrophobicContact CD1-CG 4Å; L311-Q325 HydrophobicContact CG-CG 4.39Å; L311-L328 HydrophobicContact CD1-CD2 4.49Å; L311-L329 HydrophobicContact CD1-CD1 4.29Å; L311-L329 HydrophobicContact CD1-CD2 4.28Å; L311-L329 HydrophobicContact CD1-CG 4.06Å
312	G	59.3	Low	61	Low	38 Å²	38	79.5 Å²	79.5	39%	0.392	43%	0.43	S	S	.	.	H	α-helix	trans	-64	-26.6	179.5	0	0	0	0	0	114.2	G308 E309 H314	G308-G312 PolarHBondContact O-N 3.21Å; E309-G312 PolarHBondContact O-N 2.88Å; G312-H314 PolarHBondContact O-N 3.3Å
313	H	55.2	Low	61.3	Low	159 Å²	159	73.9 Å²	73.9	74%	0.736	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-8.2	174.4	-68.9	84.5	0	0	0	113.6	E309 L311	E309-H313 PolarHBondContact O-N 2.95Å; E309-H313 PolarHBondContact O-ND1 3.18Å; L311-H313 VanDerWaalsContact C-N 3.27Å; L311-H313 PolarHBondContact O-N 3.27Å
314	H	50.5	Low	61.6	Low	78 Å²	78	72.3 Å²	72.3	36%	0.361	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.8	21.2	-175.6	-80.3	-74.8	0	0	0	114.6	L311 G312 G316 Q321 Q325	L311-H314 PolarHBondContact O-N 3.13Å; G312-H314 PolarHBondContact O-N 3.3Å; H314-G316 PolarHBondContact O-N 2.87Å; H314-Q321 HydrophobicContact CB-CG 4.16Å; H314-Q321 PolarHBondContact ND1-NE2 3.06Å; H314-Q321 WeakPolarHBondContact O-CG 3.44Å; H314-Q321 PolarHBondContact O-NE2 3.14Å; H314-Q321 VanDerWaalsContact O-NE2 3.1Å; H314-Q325 HydrophobicContact CB-CG 4.03Å; H314-Q325 PolarHBondContact O-NE2 3.25Å
315	N	49.3	Very low	61.8	Low	139 Å²	139	72.7 Å²	72.7	74%	0.743	40%	0.402	S	S	*	.			trans	-72.3	56.2	-179.4	-98	-3.9	0	0	0	115.2
316	G	49.7	Very low	62.4	Low	28 Å²	28	67.7 Å²	67.7	29%	0.289	38%	0.377	S	S	.	.			trans	-114	131.9	168.1	0	0	0	0	0	111	H314 N318	H314-G316 PolarHBondContact O-N 2.87Å; G316-N318 PolarHBondContact O-N 2.88Å
317	N	54.8	Low	63.1	Low	167 Å²	167	69.5 Å²	69.5	89%	0.893	38%	0.377	S	S	*	.			trans	-72.8	45.2	-174.5	-71.8	-12.4	0	0	0	114.8
318	N	60.9	Low	64	Low	106 Å²	106	71.5 Å²	71.5	57%	0.567	39%	0.387	S	S	*	.			trans	-110	137.7	178.9	-70.9	-12.3	0	0	0	111	G316 E320 Q321 T322	G316-N318 PolarHBondContact O-N 2.88Å; N318-E320 PolarHBondContact O-N 3.39Å; N318-E320 VanDerWaalsContact O-N 3.16Å; N318-Q321 HydrophobicContact CB-CB 4.27Å; N318-Q321 WeakPolarHBondContact O-CA 3.45Å; N318-Q321 WeakPolarHBondContact O-CB 3.43Å; N318-Q321 PolarHBondContact O-N 3.02Å; N318-T322 PolarHBondContact O-N 3.41Å; N318-T322 PolarHBondContact O-OG1 3.22Å
319	A	62.1	Low	64.7	Low	88 Å²	88	71.3 Å²	71.3	73%	0.727	38%	0.384	S	S	*	.	H	α-helix	trans	-57.3	-31.9	-179.2	0	0	0	0	0	113.6	Q321 A323	A319-Q321 VanDerWaalsContact C-N 3.32Å; A319-A323 WeakPolarHBondContact O-CB 2.97Å; A319-A323 PolarHBondContact O-N 3.31Å; A319-A323 VanDerWaalsContact O-N 3.08Å
320	E	65.8	Low	65.6	Low	170 Å²	170	66.3 Å²	66.3	79%	0.794	36%	0.361	S	S	*	.	H	α-helix	trans	-69.4	-31.4	174.4	-65.5	-168.5	153.1	0	0	112.7	N318 A323 S324	N318-E320 PolarHBondContact O-N 3.39Å; N318-E320 VanDerWaalsContact O-N 3.16Å; E320-A323 PolarHBondContact O-N 3.35Å; E320-S324 PolarHBondContact O-N 2.97Å
321	Q	67.5	Low	66.7	Low	57 Å²	57	66.2 Å²	66.2	27%	0.266	36%	0.363	S	S	.	.	H	α-helix	trans	-78.8	-39.4	-179.3	-158.4	146.2	-10.9	0	0	110.8	H314 N318 A319 A323 S324 Q325	H314-Q321 HydrophobicContact CB-CG 4.16Å; H314-Q321 PolarHBondContact ND1-NE2 3.06Å; H314-Q321 WeakPolarHBondContact O-CG 3.44Å; H314-Q321 PolarHBondContact O-NE2 3.14Å; H314-Q321 VanDerWaalsContact O-NE2 3.1Å; N318-Q321 HydrophobicContact CB-CB 4.27Å; N318-Q321 WeakPolarHBondContact O-CA 3.45Å; N318-Q321 WeakPolarHBondContact O-CB 3.43Å; N318-Q321 PolarHBondContact O-N 3.02Å; A319-Q321 VanDerWaalsContact C-N 3.32Å; Q321-A323 VanDerWaalsContact C-N 3.3Å; Q321-A323 PolarHBondContact O-N 2.99Å; Q321-S324 WeakPolarHBondContact CA-OG 3.36Å; Q321-S324 PolarHBondContact O-N 3.39Å; Q321-S324 VanDerWaalsContact O-N 3.1Å; Q321-S324 PolarHBondContact O-OG 3.15Å; Q321-Q325 WeakPolarHBondContact O-CG 3.38Å; Q321-Q325 PolarHBondContact O-N 3.39Å
322	T	68.4	Low	67.6	Low	41 Å²	41	66.8 Å²	66.8	25%	0.252	37%	0.367	S	S	.	.	H	α-helix	trans	-59.4	-40.8	167.5	-46.9	0	0	0	0	111.5	N318 S324 Q325 K326	N318-T322 PolarHBondContact O-N 3.41Å; N318-T322 PolarHBondContact O-OG1 3.22Å; T322-S324 VanDerWaalsContact C-N 3.32Å; T322-S324 PolarHBondContact O-N 3.4Å; T322-Q325 PolarHBondContact O-N 3.17Å; T322-K326 VanDerWaalsContact O-CG 3.32Å; T322-K326 WeakPolarHBondContact O-CG 3.48Å; T322-K326 PolarHBondContact O-N 3.37Å
323	A	70.8	Confident	68.7	Low	12 Å²	12	65 Å²	65	10%	0.099	35%	0.348	C	S	.	.	H	α-helix	trans	-64.5	-35.4	174.5	0	0	0	0	0	112.5	A319 E320 Q321 R327	A319-A323 WeakPolarHBondContact O-CB 2.97Å; A319-A323 PolarHBondContact O-N 3.31Å; A319-A323 VanDerWaalsContact O-N 3.08Å; E320-A323 PolarHBondContact O-N 3.35Å; Q321-A323 VanDerWaalsContact C-N 3.3Å; Q321-A323 PolarHBondContact O-N 2.99Å; A323-R327 WeakPolarHBondContact O-CG 3.33Å; A323-R327 PolarHBondContact O-N 2.88Å; A323-R327 VanDerWaalsContact O-N 3.08Å
324	S	73.9	Confident	70	Confident	35 Å²	35	58 Å²	58	25%	0.245	32%	0.318	C	S	.	.	H	α-helix	trans	-69.1	-39.4	174.3	71.3	0	0	0	0	112.9	E320 Q321 T322 R327 L328	E320-S324 PolarHBondContact O-N 2.97Å; Q321-S324 WeakPolarHBondContact CA-OG 3.36Å; Q321-S324 PolarHBondContact O-N 3.39Å; Q321-S324 VanDerWaalsContact O-N 3.1Å; Q321-S324 PolarHBondContact O-OG 3.15Å; T322-S324 VanDerWaalsContact C-N 3.32Å; T322-S324 PolarHBondContact O-N 3.4Å; S324-R327 PolarHBondContact O-N 3.5Å; S324-L328 PolarHBondContact O-N 3.23Å
325	Q	72.3	Confident	71.6	Confident	21 Å²	21	61.4 Å²	61.4	10%	0.098	33%	0.332	C	S	.	.	H	α-helix	trans	-61.7	-44.4	173.5	-72.9	172.6	-31.7	0	0	111.2	L311 H314 Q321 T322 R327 L328 L329	L311-Q325 HydrophobicContact CD1-CB 3.96Å; L311-Q325 HydrophobicContact CD1-CG 4Å; L311-Q325 HydrophobicContact CG-CG 4.39Å; H314-Q325 HydrophobicContact CB-CG 4.03Å; H314-Q325 PolarHBondContact O-NE2 3.25Å; Q321-Q325 WeakPolarHBondContact O-CG 3.38Å; Q321-Q325 PolarHBondContact O-N 3.39Å; T322-Q325 PolarHBondContact O-N 3.17Å; Q325-R327 PolarHBondContact O-N 3.02Å; Q325-L328 PolarHBondContact O-N 2.65Å; Q325-L329 WeakPolarHBondContact O-CB 3.47Å; Q325-L329 WeakPolarHBondContact O-CG 3.18Å; Q325-L329 PolarHBondContact O-N 2.91Å
326	K	78.1	Confident	73	Confident	6 Å²	6	57 Å²	57	3%	0.026	31%	0.305	C	S	.	.	H	α-helix	trans	-61.6	-41.1	175.1	-68.9	-177.6	173.7	-177.2	0	112.6	D286 W288 L289 T322 L329 F330 A403 C404	D286-K326 VanDerWaalsContact OD2-CE 3.28Å; D286-K326 WeakPolarHBondContact OD2-CE 3.37Å; D286-K326 IonicContact OD2-NZ 3.26Å; D286-K326 PolarHBondContact OD2-NZ 3.2Å; W288-K326 HydrophobicContact CD2-CB 4.45Å; W288-K326 HydrophobicContact CD2-CD 4.03Å; W288-K326 HydrophobicContact CD2-CG 4.07Å; W288-K326 HydrophobicContact CE3-CB 4.03Å; W288-K326 HydrophobicContact CE3-CD 3.91Å; W288-K326 HydrophobicContact CE3-CG 3.5Å; W288-K326 VanDerWaalsContact CE3-CG 3.5Å; W288-K326 HydrophobicContact CG-CD 4.44Å; W288-K326 HydrophobicContact CH2-CB 3.73Å; W288-K326 HydrophobicContact CH2-CG 4.15Å; W288-K326 WeakPolarHBondContact CH2-O 3.2Å; W288-K326 HydrophobicContact CZ2-CB 4.12Å; W288-K326 HydrophobicContact CZ3-CB 3.67Å; W288-K326 HydrophobicContact CZ3-CD 4.41Å; W288-K326 HydrophobicContact CZ3-CG 3.56Å; L289-K326 HydrophobicContact CD2-CG 4.02Å; T322-K326 VanDerWaalsContact O-CG 3.32Å; T322-K326 WeakPolarHBondContact O-CG 3.48Å; T322-K326 PolarHBondContact O-N 3.37Å; K326-L329 PolarHBondContact O-N 3.25Å; K326-F330 WeakPolarHBondContact O-CB 3.39Å; K326-F330 PolarHBondContact O-N 2.84Å; K326-A403 PolarHBondContact NZ-O 2.95Å; K326-C404 HydrophobicContact CD-CB 3.93Å; K326-C404 VanDerWaalsContact CD-SG 3.53Å; K326-C404 PolarHBondContact NZ-SG 3.02Å
327	R	78.8	Confident	74.3	Confident	102 Å²	102	55.7 Å²	55.7	39%	0.385	29%	0.291	S	S	.	.	H	α-helix	trans	-63.9	-43	175.1	-71.4	-177.7	-147.9	126.7	7.4	112	A323 S324 Q325 L329 F330 D331 L406	A323-R327 WeakPolarHBondContact O-CG 3.33Å; A323-R327 PolarHBondContact O-N 2.88Å; A323-R327 VanDerWaalsContact O-N 3.08Å; S324-R327 PolarHBondContact O-N 3.5Å; Q325-R327 PolarHBondContact O-N 3.02Å; R327-L329 PolarHBondContact O-N 2.92Å; R327-F330 PolarHBondContact O-N 2.72Å; R327-D331 WeakPolarHBondContact O-CB 3.38Å; R327-D331 PolarHBondContact O-N 2.97Å; R327-L406 HydrophobicContact CG-CD2 4.47Å
328	L	78.9	Confident	75.5	Confident	46 Å²	46	50 Å²	50	24%	0.241	26%	0.261	C	S	.	.	H	α-helix	trans	-62.8	-43.2	178.1	-176.9	70.4	0	0	0	112.2	Q310 L311 S324 Q325 D331 T332	Q310-L328 HydrophobicContact CB-CD2 3.68Å; L311-L328 HydrophobicContact CD1-CD2 4.49Å; S324-L328 PolarHBondContact O-N 3.23Å; Q325-L328 PolarHBondContact O-N 2.65Å; L328-D331 PolarHBondContact O-N 2.84Å; L328-T332 WeakPolarHBondContact O-CB 3.33Å; L328-T332 PolarHBondContact O-N 3.07Å; L328-T332 PolarHBondContact O-OG1 3.14Å
329	L	79.3	Confident	76.1	Confident	2 Å²	2	46.4 Å²	46.4	1%	0.01	25%	0.249	C	C	.	.	H	α-helix	trans	-62.7	-45.6	175.4	-74	172.9	0	0	0	111.1	L282 W288 L289 L296 L311 Q325 K326 R327 D331 T332 I333	L282-L329 HydrophobicContact CD1-CD1 4.29Å; W288-L329 HydrophobicContact CH2-CB 3.89Å; W288-L329 HydrophobicContact CZ3-CB 4.04Å; W288-L329 HydrophobicContact CZ3-CD1 3.97Å; L289-L329 HydrophobicContact CD2-CD1 3.71Å; L296-L329 HydrophobicContact CD1-CD2 3.92Å; L311-L329 HydrophobicContact CD1-CD1 4.29Å; L311-L329 HydrophobicContact CD1-CD2 4.28Å; L311-L329 HydrophobicContact CD1-CG 4.06Å; Q325-L329 WeakPolarHBondContact O-CB 3.47Å; Q325-L329 WeakPolarHBondContact O-CG 3.18Å; Q325-L329 PolarHBondContact O-N 2.91Å; K326-L329 PolarHBondContact O-N 3.25Å; R327-L329 PolarHBondContact O-N 2.92Å; L329-D331 PolarHBondContact O-N 2.93Å; L329-T332 PolarHBondContact O-N 2.81Å; L329-I333 WeakPolarHBondContact O-CB 3.49Å; L329-I333 VanDerWaalsContact O-CG1 3.26Å; L329-I333 WeakPolarHBondContact O-CG1 3.45Å; L329-I333 PolarHBondContact O-N 3.32Å
330	F	82	Confident	75.9	Confident	9 Å²	9	51.2 Å²	51.2	4%	0.039	26%	0.256	C	S	.	.	H	α-helix	trans	-58.2	-47.3	174.7	178.3	-95	0	0	0	112	W288 K326 R327 T332 I333 A334 F394 L406 L415 V416 T419 F420	W288-F330 HydrophobicContact CH2-CB 4.45Å; W288-F330 HydrophobicContact CZ2-CB 4.3Å; K326-F330 WeakPolarHBondContact O-CB 3.39Å; K326-F330 PolarHBondContact O-N 2.84Å; R327-F330 PolarHBondContact O-N 2.72Å; F330-T332 VanDerWaalsContact C-N 3.29Å; F330-T332 PolarHBondContact O-N 3.42Å; F330-I333 PolarHBondContact O-N 3.11Å; F330-A334 VanDerWaalsContact O-CB 3.23Å; F330-A334 WeakPolarHBondContact O-CB 3.33Å; F330-A334 PolarHBondContact O-N 2.96Å; F330-F394 HydrophobicContact CD2-CE1 4.14Å; F330-F394 HydrophobicContact CD2-CZ 4.12Å; F330-L406 HydrophobicContact CB-CD2 3.96Å; F330-L406 HydrophobicContact CD1-CD1 4.43Å; F330-L406 HydrophobicContact CD1-CD2 4.4Å; F330-L406 HydrophobicContact CD2-CD1 3.78Å; F330-L406 HydrophobicContact CD2-CD2 4.3Å; F330-L406 HydrophobicContact CE1-CD1 4.41Å; F330-L406 HydrophobicContact CE2-CD1 3.76Å; F330-L406 HydrophobicContact CG-CD1 4.12Å; F330-L406 HydrophobicContact CG-CD2 3.96Å; F330-L406 HydrophobicContact CZ-CD1 4.08Å; F330-L415 HydrophobicContact CE1-CD2 4.4Å; F330-L415 HydrophobicContact CZ-CG 4.4Å; F330-V416 HydrophobicContact CE2-CG2 3.91Å; F330-V416 HydrophobicContact CZ-CG2 4.38Å; F330-T419 HydrophobicContact CE1-CG2 4.18Å; F330-T419 HydrophobicContact CZ-CG2 3.97Å; F330-T419 WeakPolarHBondContact CZ-OG1 3.47Å; F330-F420 HydrophobicContact CD2-CE2 4.43Å; F330-F420 AromaticContact CE2-CE2 3.72Å; F330-F420 HydrophobicContact CE2-CE2 3.72Å; F330-F420 HydrophobicContact CE2-CZ 4.26Å; F330-F420 HydrophobicContact CZ-CE2 4.32Å
331	D	81.8	Confident	75.5	Confident	80 Å²	80	51.3 Å²	51.3	43%	0.428	26%	0.257	S	S	.	.	H	α-helix	trans	-63.5	-36.3	178.9	-74.6	-19.5	0	0	0	112	R327 L328 L329 K335	R327-D331 WeakPolarHBondContact O-CB 3.38Å; R327-D331 PolarHBondContact O-N 2.97Å; L328-D331 PolarHBondContact O-N 2.84Å; L329-D331 PolarHBondContact O-N 2.93Å; D331-K335 WeakPolarHBondContact O-CB 3.39Å; D331-K335 WeakPolarHBondContact O-CG 3.32Å; D331-K335 PolarHBondContact O-N 2.71Å
332	T	80.8	Confident	75.3	Confident	18 Å²	18	50.2 Å²	50.2	11%	0.11	25%	0.251	C	S	.	.	H	α-helix	trans	-70.2	-45.2	178.2	-53.3	0	0	0	0	111.4	T307 L328 L329 F330 A334 K335 Y336	T307-T332 HydrophobicContact CG2-CG2 3.22Å; L328-T332 WeakPolarHBondContact O-CB 3.33Å; L328-T332 PolarHBondContact O-N 3.07Å; L328-T332 PolarHBondContact O-OG1 3.14Å; L329-T332 PolarHBondContact O-N 2.81Å; F330-T332 VanDerWaalsContact C-N 3.29Å; F330-T332 PolarHBondContact O-N 3.42Å; T332-A334 VanDerWaalsContact C-N 3.34Å; T332-K335 PolarHBondContact O-N 3.05Å; T332-Y336 PolarHBondContact O-N 2.8Å
333	I	82.8	Confident	75.1	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-61.4	-45.9	174.8	-65.8	168.6	0	0	0	109.6	A292 C295 L296 F299 L329 F330 K335 Y336 Y337 F394 F420	A292-I333 HydrophobicContact CB-CD1 4.21Å; C295-I333 HydrophobicContact CB-CD1 4.36Å; L296-I333 HydrophobicContact CD2-CG1 4.47Å; F299-I333 HydrophobicContact CE2-CG1 4.08Å; F299-I333 HydrophobicContact CZ-CB 4.25Å; F299-I333 HydrophobicContact CZ-CG1 3.93Å; F299-I333 HydrophobicContact CZ-CG2 4.23Å; L329-I333 WeakPolarHBondContact O-CB 3.49Å; L329-I333 VanDerWaalsContact O-CG1 3.26Å; L329-I333 WeakPolarHBondContact O-CG1 3.45Å; L329-I333 PolarHBondContact O-N 3.32Å; F330-I333 PolarHBondContact O-N 3.11Å; I333-K335 PolarHBondContact O-N 3.07Å; I333-Y336 PolarHBondContact O-N 2.73Å; I333-Y337 HydrophobicContact CG2-CD2 3.73Å; I333-Y337 HydrophobicContact CG2-CE2 3.79Å; I333-Y337 VanDerWaalsContact O-CD2 3.31Å; I333-Y337 WeakPolarHBondContact O-CD2 3.41Å; I333-Y337 PolarHBondContact O-N 2.9Å; I333-F394 HydrophobicContact CD1-CD1 4.42Å; I333-F394 HydrophobicContact CD1-CD2 4.49Å; I333-F394 HydrophobicContact CD1-CE1 3.92Å; I333-F394 HydrophobicContact CD1-CE2 4.01Å; I333-F394 HydrophobicContact CD1-CZ 3.69Å; I333-F394 HydrophobicContact CG2-CD1 4.41Å; I333-F394 HydrophobicContact CG2-CE1 4.11Å; I333-F420 HydrophobicContact CG2-CE1 3.82Å; I333-F420 HydrophobicContact CG2-CZ 3.74Å
334	A	82.6	Confident	75.1	Confident	12 Å²	12	52.4 Å²	52.4	10%	0.099	27%	0.273	C	S	.	.	H	α-helix	trans	-61	-41.4	177.3	0	0	0	0	0	112.2	F330 T332 N338 F420	F330-A334 VanDerWaalsContact O-CB 3.23Å; F330-A334 WeakPolarHBondContact O-CB 3.33Å; F330-A334 PolarHBondContact O-N 2.96Å; T332-A334 VanDerWaalsContact C-N 3.34Å; A334-N338 WeakPolarHBondContact O-CB 3.36Å; A334-N338 PolarHBondContact O-N 2.88Å; A334-N338 PolarHBondContact O-ND2 3.06Å; A334-F420 HydrophobicContact CB-CE1 4.49Å; A334-F420 HydrophobicContact CB-CZ 4.42Å
335	K	82.8	Confident	75	Confident	151 Å²	151	51.3 Å²	51.3	66%	0.657	27%	0.265	S	S	*	.	H	α-helix	trans	-62.7	-41.1	175.2	-78.1	168.5	-175.4	173.2	0	112.2	D331 T332 I333 G339	D331-K335 WeakPolarHBondContact O-CB 3.39Å; D331-K335 WeakPolarHBondContact O-CG 3.32Å; D331-K335 PolarHBondContact O-N 2.71Å; T332-K335 PolarHBondContact O-N 3.05Å; I333-K335 PolarHBondContact O-N 3.07Å; K335-G339 PolarHBondContact O-N 3.37Å; K335-G339 VanDerWaalsContact O-N 3.07Å
336	Y	79.2	Confident	75	Confident	46 Å²	46	50.5 Å²	50.5	18%	0.18	26%	0.261	C	S	.	.	H	α-helix	trans	-65.4	-47.8	179.2	178.1	-111.5	0	0	0	112.2	F299 L303 T332 I333 G339 K342	F299-Y336 AromaticContact CD1-CD1 3.53Å; F299-Y336 HydrophobicContact CD1-CD1 3.53Å; F299-Y336 AromaticContact CD1-CE1 3.33Å; F299-Y336 HydrophobicContact CD1-CE1 3.33Å; F299-Y336 HydrophobicContact CD1-CG 4.19Å; F299-Y336 AromaticContact CD1-CZ 3.96Å; F299-Y336 HydrophobicContact CD2-CD1 4.23Å; F299-Y336 HydrophobicContact CD2-CG 4.15Å; F299-Y336 AromaticContact CE1-CD1 3.12Å; F299-Y336 HydrophobicContact CE1-CD1 3.12Å; F299-Y336 AromaticContact CE1-CE1 3.31Å; F299-Y336 HydrophobicContact CE1-CE1 3.31Å; F299-Y336 AromaticContact CE1-CG 3.97Å; F299-Y336 HydrophobicContact CE1-CG 3.97Å; F299-Y336 AromaticContact CE2-CD1 3.86Å; F299-Y336 HydrophobicContact CE2-CD1 3.86Å; F299-Y336 AromaticContact CE2-CG 3.89Å; F299-Y336 HydrophobicContact CE2-CG 3.89Å; F299-Y336 HydrophobicContact CG-CD1 4.09Å; F299-Y336 HydrophobicContact CG-CE1 4.08Å; F299-Y336 HydrophobicContact CG-CG 4.31Å; F299-Y336 AromaticContact CZ-CD1 3.3Å; F299-Y336 HydrophobicContact CZ-CD1 3.3Å; F299-Y336 AromaticContact CZ-CE1 4Å; F299-Y336 HydrophobicContact CZ-CE1 4Å; F299-Y336 AromaticContact CZ-CG 3.81Å; F299-Y336 HydrophobicContact CZ-CG 3.81Å; L303-Y336 HydrophobicContact CD1-CD2 3.67Å; L303-Y336 HydrophobicContact CD1-CE2 4.22Å; T332-Y336 PolarHBondContact O-N 2.8Å; I333-Y336 PolarHBondContact O-N 2.73Å; Y336-G339 PolarHBondContact O-N 3.31Å; Y336-K342 HydrophobicContact CE1-CD 4.28Å
337	Y	77.2	Confident	74.4	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-74.3	-23.9	-179.9	-76.7	-80.1	0	0	0	113.9	F299 I333 K342 L345 E387 L391 F420 G423	F299-Y337 AromaticContact CE1-CE2 3.96Å; F299-Y337 HydrophobicContact CE1-CE2 3.96Å; F299-Y337 HydrophobicContact CZ-CD2 4.49Å; F299-Y337 HydrophobicContact CZ-CE2 4.02Å; I333-Y337 HydrophobicContact CG2-CD2 3.73Å; I333-Y337 HydrophobicContact CG2-CE2 3.79Å; I333-Y337 VanDerWaalsContact O-CD2 3.31Å; I333-Y337 WeakPolarHBondContact O-CD2 3.41Å; I333-Y337 PolarHBondContact O-N 2.9Å; Y337-K342 HydrophobicContact CD1-CD 4.03Å; Y337-K342 HydrophobicContact CE1-CD 4.49Å; Y337-L345 HydrophobicContact CE1-CD1 4.04Å; Y337-E387 HydrophobicContact CE1-CG 4.36Å; Y337-E387 WeakPolarHBondContact CE1-OE1 3.43Å; Y337-L391 HydrophobicContact CD1-CD2 3.9Å; Y337-L391 HydrophobicContact CD2-CD1 4.08Å; Y337-L391 HydrophobicContact CE1-CD2 3.65Å; Y337-L391 HydrophobicContact CE1-CG 4.5Å; Y337-L391 HydrophobicContact CE2-CD1 3.74Å; Y337-L391 HydrophobicContact CE2-CD2 4.34Å; Y337-L391 HydrophobicContact CG-CD2 4.35Å; Y337-F420 HydrophobicContact CD2-CD1 4.39Å; Y337-F420 AromaticContact CD2-CE1 3.96Å; Y337-F420 HydrophobicContact CD2-CE1 3.96Å; Y337-F420 HydrophobicContact CG-CD1 4.35Å; Y337-F420 HydrophobicContact CG-CE1 4.32Å; Y337-G423 WeakPolarHBondContact O-CA 3.43Å
338	N	78.7	Confident	73.7	Confident	49 Å²	49	49.6 Å²	49.6	26%	0.262	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	1.4	175.1	-69.1	-53.3	0	0	0	114.1	A334 T419	A334-N338 WeakPolarHBondContact O-CB 3.36Å; A334-N338 PolarHBondContact O-N 2.88Å; A334-N338 PolarHBondContact O-ND2 3.06Å; N338-T419 PolarHBondContact ND2-O 2.98Å; N338-T419 PolarHBondContact OD1-O 3.49Å; N338-T419 VanDerWaalsContact OD1-O 3.07Å
339	G	74.3	Confident	73.2	Confident	30 Å²	30	51.5 Å²	51.5	31%	0.309	28%	0.281	S	S	.	.	S	Bend	trans	-63.9	145.2	177.3	0	0	0	0	0	112.3	K335 Y336 E341 K342	K335-G339 PolarHBondContact O-N 3.37Å; K335-G339 VanDerWaalsContact O-N 3.07Å; Y336-G339 PolarHBondContact O-N 3.31Å; G339-E341 PolarHBondContact O-N 2.91Å; G339-E341 VanDerWaalsContact O-N 3.16Å; G339-K342 PolarHBondContact O-N 3.25Å
340	Q	58.8	Low	72.9	Confident	188 Å²	188	53 Å²	53	88%	0.879	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-18.9	-176.7	-70	-168.1	-19	0	0	114.3
341	E	56.2	Low	72.7	Confident	173 Å²	173	53.5 Å²	53.5	81%	0.808	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-11.6	-176	-60.4	-169.5	163.3	0	0	113.7	G339	G339-E341 PolarHBondContact O-N 2.91Å; G339-E341 VanDerWaalsContact O-N 3.16Å
342	K	64.8	Low	72.5	Confident	34 Å²	34	52.7 Å²	52.7	15%	0.148	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-97.8	117.5	-176.9	-163.1	174.1	-174	167	0	111.1	Y336 Y337 G339 E387	Y336-K342 HydrophobicContact CE1-CD 4.28Å; Y337-K342 HydrophobicContact CD1-CD 4.03Å; Y337-K342 HydrophobicContact CE1-CD 4.49Å; G339-K342 PolarHBondContact O-N 3.25Å; K342-E387 WeakPolarHBondContact CE-OE1 3.45Å; K342-E387 IonicContact NZ-OE1 2.63Å; K342-E387 PolarHBondContact NZ-OE1 3.25Å
343	A	63.2	Low	72.5	Confident	82 Å²	82	51.8 Å²	51.8	68%	0.678	28%	0.28	S	S	*	.	P	Polyproline II helix	trans	-66.2	146.1	171.3	0	0	0	0	0	110.3	L345	A343-L345 PolarHBondContact O-N 3.38Å
344	A	70.4	Confident	72.5	Confident	16 Å²	16	52.4 Å²	52.4	13%	0.132	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-56.1	135.2	175	0	0	0	0	0	111.2	I346 G423 Q426	A344-I346 PolarHBondContact O-N 2.88Å; A344-G423 WeakPolarHBondContact CA-O 3.43Å; A344-Q426 HydrophobicContact CB-CB 3.73Å; A344-Q426 HydrophobicContact CB-CG 3.85Å; A344-Q426 VanDerWaalsContact CB-N 3.35Å
345	L	72.1	Confident	72.6	Confident	13 Å²	13	54.3 Å²	54.3	7%	0.068	29%	0.293	C	S	.	.	S	Bend	trans	-60.7	-35.2	179.6	-66	176.5	0	0	0	111.6	Y337 A343 S347 V384 E387 L388 L391 G423 L424	Y337-L345 HydrophobicContact CE1-CD1 4.04Å; A343-L345 PolarHBondContact O-N 3.38Å; L345-S347 PolarHBondContact O-N 3.43Å; L345-V384 HydrophobicContact CB-CG1 4.36Å; L345-V384 HydrophobicContact CD2-CG1 4.18Å; L345-V384 WeakPolarHBondContact O-CG1 3.28Å; L345-E387 HydrophobicContact CD1-CG 4.15Å; L345-E387 VanDerWaalsContact CD2-CD 3.45Å; L345-E387 HydrophobicContact CD2-CG 3.86Å; L345-L388 HydrophobicContact CB-CD1 4.34Å; L345-L388 HydrophobicContact CD1-CB 4.46Å; L345-L388 HydrophobicContact CD1-CD1 4.04Å; L345-L391 HydrophobicContact CD1-CD2 3.83Å; L345-G423 PolarHBondContact N-O 2.88Å; L345-L424 HydrophobicContact CD1-CD2 4.07Å
346	I	71.7	Confident	72.6	Confident	4 Å²	4	47.9 Å²	47.9	2%	0.021	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-92	94.6	170.9	-59	173.8	0	0	0	107.7	A344 H354 L424 V425 L442	A344-I346 PolarHBondContact O-N 2.88Å; I346-H354 VanDerWaalsContact CG2-CD2 3.49Å; I346-H354 WeakPolarHBondContact CG2-CD2 3.34Å; I346-H354 WeakPolarHBondContact CG2-NE2 3.41Å; I346-L424 WeakPolarHBondContact CB-O 3.4Å; I346-L424 PolarHBondContact N-O 3.33Å; I346-V425 HydrophobicContact CB-CG2 4.4Å; I346-V425 HydrophobicContact CD1-CG2 3.87Å; I346-L442 HydrophobicContact CD1-CD1 3.58Å
347	S	66.3	Low	72.9	Confident	50 Å²	50	45.8 Å²	45.8	35%	0.35	26%	0.26	S	S	.	.			trans	-67.7	142.8	177.8	-172.6	0	0	0	0	111.2	L345 R349 Y350	L345-S347 PolarHBondContact O-N 3.43Å; S347-R349 PolarHBondContact O-N 2.88Å; S347-Y350 PolarHBondContact O-N 2.68Å
348	G	64.9	Low	73.3	Confident	38 Å²	38	45.9 Å²	45.9	39%	0.392	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-58.7	-7.3	176.1	0	0	0	0	0	115.6	Y350 L351 N427	G348-Y350 PolarHBondContact O-N 3.38Å; G348-L351 VanDerWaalsContact O-CB 3.24Å; G348-L351 WeakPolarHBondContact O-CB 3.45Å; G348-L351 PolarHBondContact O-N 2.69Å; G348-N427 WeakPolarHBondContact CA-OD1 3.24Å; G348-N427 PolarHBondContact N-OD1 2.99Å
349	R	68.2	Low	73.6	Confident	86 Å²	86	47.4 Å²	47.4	33%	0.325	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-58.7	-31.9	172.9	-62.7	-175.7	-167.9	-111.5	0.7	113.4	S243 S347	S243-R349 WeakPolarHBondContact CB-O 3.39Å; S243-R349 PolarHBondContact OG-O 2.77Å; S347-R349 PolarHBondContact O-N 2.88Å
350	Y	73.1	Confident	74.2	Confident	34 Å²	34	47 Å²	47	13%	0.133	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-102	17.3	-178.3	-59.1	-76.9	0	0	0	112.1	I244 S347 G348 D352 V353 H354 L379 L380	I244-Y350 HydrophobicContact CD1-CD1 4.43Å; I244-Y350 HydrophobicContact CG1-CD1 4.09Å; I244-Y350 HydrophobicContact CG1-CE1 4.33Å; I244-Y350 HydrophobicContact CG2-CE1 4.1Å; S347-Y350 PolarHBondContact O-N 2.68Å; G348-Y350 PolarHBondContact O-N 3.38Å; Y350-D352 VanDerWaalsContact C-N 3.31Å; Y350-D352 PolarHBondContact O-N 3.17Å; Y350-V353 WeakPolarHBondContact O-CA 3.2Å; Y350-V353 VanDerWaalsContact O-CB 3.31Å; Y350-V353 WeakPolarHBondContact O-CB 3.47Å; Y350-V353 PolarHBondContact O-N 3.43Å; Y350-H354 VanDerWaalsContact C-CD2 3.45Å; Y350-H354 WeakPolarHBondContact CB-NE2 3.42Å; Y350-H354 PolarHBondContact O-CD2 3.37Å; Y350-H354 PolarHBondContact O-N 3.17Å; Y350-L379 HydrophobicContact CE1-CB 4.14Å; Y350-L379 HydrophobicContact CE1-CD1 4.32Å; Y350-L379 PolarHBondContact OH-O 2.89Å; Y350-L380 HydrophobicContact CD2-CD2 3.98Å; Y350-L380 HydrophobicContact CE2-CD2 3.59Å
351	L	76.8	Confident	75.5	Confident	20 Å²	20	39.4 Å²	39.4	11%	0.105	23%	0.225	C	C	.	.	H	α-helix	trans	-52.3	-47.5	-175.7	177.9	67.6	0	0	0	112.4	G348 V353 H354 V355 N427 E429 L430	G348-L351 VanDerWaalsContact O-CB 3.24Å; G348-L351 WeakPolarHBondContact O-CB 3.45Å; G348-L351 PolarHBondContact O-N 2.69Å; L351-V353 PolarHBondContact O-N 2.96Å; L351-H354 WeakPolarHBondContact O-CA 3.33Å; L351-H354 PolarHBondContact O-N 3.2Å; L351-V355 HydrophobicContact CD1-CG2 4.27Å; L351-V355 HydrophobicContact CG-CG2 4.35Å; L351-V355 WeakPolarHBondContact O-CG2 3.43Å; L351-V355 PolarHBondContact O-N 2.78Å; L351-N427 HydrophobicContact CD1-CB 4.03Å; L351-E429 HydrophobicContact CD2-CB 3.83Å; L351-E429 HydrophobicContact CD2-CG 4.02Å; L351-E429 WeakPolarHBondContact CD2-OE2 3.38Å; L351-L430 HydrophobicContact CD1-CD1 4.02Å; L351-L430 HydrophobicContact CD1-CD2 3.98Å; L351-L430 HydrophobicContact CD1-CG 3.68Å
352	D	78.2	Confident	77	Confident	62 Å²	62	36.8 Å²	36.8	33%	0.332	22%	0.216	S	C	.	.	H	α-helix	trans	-59	-36.6	-179.6	-55	-49.8	0	0	0	111.7	L238 Y350 A356	L238-D352 HydrophobicContact CD2-CB 3.78Å; Y350-D352 VanDerWaalsContact C-N 3.31Å; Y350-D352 PolarHBondContact O-N 3.17Å; D352-A356 WeakPolarHBondContact O-CB 3.4Å; D352-A356 PolarHBondContact O-N 3.44Å
353	V	81	Confident	77.9	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-67.7	-42.5	174.9	-170.2	0	0	0	0	110.8	L232 L238 I244 Y350 L351 A356 I357 C376	L232-V353 HydrophobicContact CD1-CG1 3.86Å; L232-V353 HydrophobicContact CD2-CG1 4.03Å; L232-V353 HydrophobicContact CD2-CG2 4.08Å; L232-V353 HydrophobicContact CG-CG1 4.35Å; L238-V353 HydrophobicContact CD1-CG2 3.98Å; L238-V353 HydrophobicContact CD2-CG2 4.14Å; I244-V353 HydrophobicContact CD1-CG2 3.58Å; Y350-V353 WeakPolarHBondContact O-CA 3.2Å; Y350-V353 VanDerWaalsContact O-CB 3.31Å; Y350-V353 WeakPolarHBondContact O-CB 3.47Å; Y350-V353 PolarHBondContact O-N 3.43Å; L351-V353 PolarHBondContact O-N 2.96Å; V353-A356 PolarHBondContact O-N 2.95Å; V353-I357 HydrophobicContact CG1-CD1 3.96Å; V353-I357 WeakPolarHBondContact O-CD1 3.41Å; V353-I357 VanDerWaalsContact O-CG1 3.23Å; V353-I357 WeakPolarHBondContact O-CG1 3.33Å; V353-I357 PolarHBondContact O-N 3.27Å; V353-C376 HydrophobicContact CG1-CB 4.11Å
354	H	82.8	Confident	78.9	Confident	13 Å²	13	38.7 Å²	38.7	6%	0.06	23%	0.229	C	C	.	.	H	α-helix	trans	-67.4	-39.4	178.4	-62.4	-51.5	0	0	0	112.7	I346 Y350 L351 A356 I357 L358 L438	I346-H354 VanDerWaalsContact CG2-CD2 3.49Å; I346-H354 WeakPolarHBondContact CG2-CD2 3.34Å; I346-H354 WeakPolarHBondContact CG2-NE2 3.41Å; Y350-H354 VanDerWaalsContact C-CD2 3.45Å; Y350-H354 WeakPolarHBondContact CB-NE2 3.42Å; Y350-H354 PolarHBondContact O-CD2 3.37Å; Y350-H354 PolarHBondContact O-N 3.17Å; L351-H354 WeakPolarHBondContact O-CA 3.33Å; L351-H354 PolarHBondContact O-N 3.2Å; H354-A356 VanDerWaalsContact C-N 3.31Å; H354-I357 PolarHBondContact O-N 3.24Å; H354-L358 WeakPolarHBondContact O-CG 3.37Å; H354-L358 PolarHBondContact O-N 2.99Å; H354-L438 HydrophobicContact CB-CD2 4.12Å
355	V	83.8	Confident	79.7	Confident	51 Å²	51	42.7 Å²	42.7	31%	0.309	24%	0.243	S	C	.	.	H	α-helix	trans	-61.5	-43.7	173.4	172.9	0	0	0	0	110.1	L351 L358 N359 L430	L351-V355 HydrophobicContact CD1-CG2 4.27Å; L351-V355 HydrophobicContact CG-CG2 4.35Å; L351-V355 WeakPolarHBondContact O-CG2 3.43Å; L351-V355 PolarHBondContact O-N 2.78Å; V355-L358 WeakPolarHBondContact O-CB 3.35Å; V355-L358 PolarHBondContact O-N 3.4Å; V355-N359 VanDerWaalsContact O-CG 3.31Å; V355-N359 PolarHBondContact O-N 2.63Å; V355-N359 PolarHBondContact O-OD1 2.62Å; V355-L430 HydrophobicContact CG2-CD2 3.7Å
356	A	83.2	Confident	80.4	Confident	17 Å²	17	45.4 Å²	45.4	14%	0.14	26%	0.26	C	S	.	.	H	α-helix	trans	-71.1	-34.1	178.1	0	0	0	0	0	113.9	V236 D352 V353 H354 L358 N359 L360	V236-A356 HydrophobicContact CB-CB 4.27Å; V236-A356 HydrophobicContact CG1-CB 3.1Å; V236-A356 HydrophobicContact CG2-CB 4.27Å; D352-A356 WeakPolarHBondContact O-CB 3.4Å; D352-A356 PolarHBondContact O-N 3.44Å; V353-A356 PolarHBondContact O-N 2.95Å; H354-A356 VanDerWaalsContact C-N 3.31Å; A356-L358 VanDerWaalsContact C-N 3.25Å; A356-L358 PolarHBondContact O-N 2.94Å; A356-N359 PolarHBondContact O-N 3.29Å; A356-L360 WeakPolarHBondContact O-CG 3.42Å; A356-L360 PolarHBondContact O-N 3.16Å
357	I	85.4	Confident	81.1	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-59	-42.1	169.6	-71.4	160.8	0	0	0	109.8	V353 H354 L360 L361 A369 A372 L438 F441	V353-I357 HydrophobicContact CG1-CD1 3.96Å; V353-I357 WeakPolarHBondContact O-CD1 3.41Å; V353-I357 VanDerWaalsContact O-CG1 3.23Å; V353-I357 WeakPolarHBondContact O-CG1 3.33Å; V353-I357 PolarHBondContact O-N 3.27Å; H354-I357 PolarHBondContact O-N 3.24Å; I357-L360 PolarHBondContact O-N 3.25Å; I357-L361 HydrophobicContact CG2-CD1 4.29Å; I357-L361 VanDerWaalsContact O-CG 3.31Å; I357-L361 WeakPolarHBondContact O-CG 3.26Å; I357-L361 PolarHBondContact O-N 2.87Å; I357-A369 HydrophobicContact CG2-CB 4.24Å; I357-A372 HydrophobicContact CD1-CB 4.38Å; I357-A372 HydrophobicContact CG1-CB 3.82Å; I357-L438 HydrophobicContact CG2-CD1 4.24Å; I357-F441 HydrophobicContact CG2-CE1 4.37Å
358	L	85.3	Confident	81.9	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.01	29%	0.29	C	S	.	.	H	α-helix	trans	-63	-44.5	175.3	-74.2	164.6	0	0	0	112.1	H354 V355 A356 L360 L361 D362 L430 Q434 T437 L438	H354-L358 WeakPolarHBondContact O-CG 3.37Å; H354-L358 PolarHBondContact O-N 2.99Å; V355-L358 WeakPolarHBondContact O-CB 3.35Å; V355-L358 PolarHBondContact O-N 3.4Å; A356-L358 VanDerWaalsContact C-N 3.25Å; A356-L358 PolarHBondContact O-N 2.94Å; L358-L360 VanDerWaalsContact C-N 3.29Å; L358-L360 PolarHBondContact O-N 3.45Å; L358-L361 HydrophobicContact CD2-CD1 4.48Å; L358-L361 WeakPolarHBondContact O-CA 3.38Å; L358-L361 WeakPolarHBondContact O-CB 3.44Å; L358-L361 PolarHBondContact O-N 3.07Å; L358-D362 PolarHBondContact O-N 2.99Å; L358-L430 HydrophobicContact CD1-CD2 4Å; L358-Q434 HydrophobicContact CD1-CB 3.74Å; L358-Q434 HydrophobicContact CD1-CG 4.11Å; L358-Q434 WeakPolarHBondContact CD2-O 3.49Å; L358-T437 HydrophobicContact CD2-CG2 4.26Å; L358-L438 HydrophobicContact CD2-CB 4.12Å
359	N	85.9	Confident	83	Confident	82 Å²	82	52.8 Å²	52.8	44%	0.439	27%	0.272	S	S	.	.	H	α-helix	trans	-60.5	-39.3	175.2	-64.4	-19.6	0	0	0	111.8	V355 A356 L361 D362 D363	V355-N359 VanDerWaalsContact O-CG 3.31Å; V355-N359 PolarHBondContact O-N 2.63Å; V355-N359 PolarHBondContact O-OD1 2.62Å; A356-N359 PolarHBondContact O-N 3.29Å; N359-L361 VanDerWaalsContact C-N 3.27Å; N359-L361 PolarHBondContact O-N 3.04Å; N359-D362 PolarHBondContact O-N 2.58Å; N359-D363 WeakPolarHBondContact O-CB 3.45Å; N359-D363 PolarHBondContact O-N 3Å
360	L	85.6	Confident	83.9	Confident	20 Å²	20	49.4 Å²	49.4	11%	0.105	26%	0.26	C	S	.	.	H	α-helix	trans	-65.2	-30.6	174.5	-71.3	172.2	0	0	0	112.6	I235 A356 I357 L358 G364 K365 D368 A369 A372	I235-L360 HydrophobicContact CG2-CD1 4.06Å; A356-L360 WeakPolarHBondContact O-CG 3.42Å; A356-L360 PolarHBondContact O-N 3.16Å; I357-L360 PolarHBondContact O-N 3.25Å; L358-L360 VanDerWaalsContact C-N 3.29Å; L358-L360 PolarHBondContact O-N 3.45Å; L360-G364 PolarHBondContact O-N 2.9Å; L360-K365 HydrophobicContact CD2-CB 4.43Å; L360-K365 HydrophobicContact CD2-CD 4.11Å; L360-K365 PolarHBondContact O-N 3.42Å; L360-D368 HydrophobicContact CD1-CB 4.3Å; L360-D368 HydrophobicContact CD2-CB 4.4Å; L360-A369 HydrophobicContact CB-CB 4.15Å; L360-A372 HydrophobicContact CD1-CB 4.43Å
361	L	87.2	Confident	84.4	Confident	30 Å²	30	53 Å²	53	16%	0.157	27%	0.273	C	S	.	.	H	α-helix	trans	-73.3	-41.3	173.7	-68.1	171.2	0	0	0	111.6	I357 L358 N359 D363 G364 T366 A369 F441	I357-L361 HydrophobicContact CG2-CD1 4.29Å; I357-L361 VanDerWaalsContact O-CG 3.31Å; I357-L361 WeakPolarHBondContact O-CG 3.26Å; I357-L361 PolarHBondContact O-N 2.87Å; L358-L361 HydrophobicContact CD2-CD1 4.48Å; L358-L361 WeakPolarHBondContact O-CA 3.38Å; L358-L361 WeakPolarHBondContact O-CB 3.44Å; L358-L361 PolarHBondContact O-N 3.07Å; N359-L361 VanDerWaalsContact C-N 3.27Å; N359-L361 PolarHBondContact O-N 3.04Å; L361-D363 VanDerWaalsContact C-N 3.27Å; L361-D363 PolarHBondContact O-N 2.94Å; L361-G364 PolarHBondContact O-N 2.87Å; L361-T366 HydrophobicContact CD2-CG2 4.46Å; L361-A369 HydrophobicContact CD2-CB 3.59Å; L361-A369 HydrophobicContact CG-CB 3.88Å; L361-F441 HydrophobicContact CD1-CB 3.96Å; L361-F441 HydrophobicContact CD1-CD1 4.05Å; L361-F441 HydrophobicContact CD1-CD2 3.98Å; L361-F441 HydrophobicContact CD1-CG 3.7Å; L361-F441 HydrophobicContact CD2-CD2 3.47Å; L361-F441 VanDerWaalsContact CD2-CD2 3.47Å; L361-F441 HydrophobicContact CD2-CE2 3.53Å; L361-F441 HydrophobicContact CD2-CG 4.1Å; L361-F441 HydrophobicContact CD2-CZ 4.17Å; L361-F441 HydrophobicContact CG-CD2 4.37Å
362	D	86.7	Confident	84.9	Confident	117 Å²	117	52.1 Å²	52.1	63%	0.626	27%	0.268	S	S	*	.	H	α-helix	trans	-63	-35.9	175	-67.5	-24	0	0	0	111.2	L358 N359 G364	L358-D362 PolarHBondContact O-N 2.99Å; N359-D362 PolarHBondContact O-N 2.58Å; D362-G364 PolarHBondContact O-N 3.41Å
363	D	84.3	Confident	85.3	Confident	105 Å²	105	49.3 Å²	49.3	56%	0.561	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-7.2	172.5	-79.9	-0.7	0	0	0	114.1	N359 L361 K365	N359-D363 WeakPolarHBondContact O-CB 3.45Å; N359-D363 PolarHBondContact O-N 3Å; L361-D363 VanDerWaalsContact C-N 3.27Å; L361-D363 PolarHBondContact O-N 2.94Å; D363-K365 VanDerWaalsContact C-N 3.28Å; D363-K365 HydrophobicContact CB-CD 4.39Å; D363-K365 HydrophobicContact CB-CG 4.31Å; D363-K365 PolarHBondContact O-N 2.83Å; D363-K365 IonicContact OD2-NZ 3.56Å; D363-K365 PolarHBondContact OD2-NZ 3.44Å
364	G	83.9	Confident	85.6	Confident	52 Å²	52	50.5 Å²	50.5	54%	0.536	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	8.5	-177.1	0	0	0	0	0	115.2	L360 L361 D362 T366	L360-G364 PolarHBondContact O-N 2.9Å; L361-G364 PolarHBondContact O-N 2.87Å; D362-G364 PolarHBondContact O-N 3.41Å; G364-T366 PolarHBondContact O-N 3.1Å
365	K	87.5	Confident	85.7	Confident	100 Å²	100	50 Å²	50	44%	0.435	26%	0.257	S	S	.	.			trans	-83.9	61.2	178.8	-63.4	174.6	-171.1	149.4	0	111.4	L360 D363 R367 D368 A369	L360-K365 HydrophobicContact CD2-CB 4.43Å; L360-K365 HydrophobicContact CD2-CD 4.11Å; L360-K365 PolarHBondContact O-N 3.42Å; D363-K365 VanDerWaalsContact C-N 3.28Å; D363-K365 HydrophobicContact CB-CD 4.39Å; D363-K365 HydrophobicContact CB-CG 4.31Å; D363-K365 PolarHBondContact O-N 2.83Å; D363-K365 IonicContact OD2-NZ 3.56Å; D363-K365 PolarHBondContact OD2-NZ 3.44Å; K365-R367 VanDerWaalsContact C-N 3.28Å; K365-R367 PolarHBondContact O-N 3.42Å; K365-D368 HydrophobicContact CB-CB 4.16Å; K365-D368 PolarHBondContact O-N 2.97Å; K365-A369 PolarHBondContact O-N 3.23Å
366	T	87	Confident	85.8	Confident	69 Å²	69	47.7 Å²	47.7	42%	0.423	24%	0.243	S	C	.	.	H	α-helix	trans	-57.1	-37.3	-176.2	55.8	0	0	0	0	113.5	L361 G364 D368 A369 I370	L361-T366 HydrophobicContact CD2-CG2 4.46Å; G364-T366 PolarHBondContact O-N 3.1Å; T366-D368 VanDerWaalsContact C-N 3.28Å; T366-D368 PolarHBondContact O-N 3.03Å; T366-A369 PolarHBondContact O-N 2.93Å; T366-I370 VanDerWaalsContact O-CG1 3.27Å; T366-I370 WeakPolarHBondContact O-CG1 3.43Å; T366-I370 PolarHBondContact O-N 3.41Å
367	R	85.6	Confident	85.8	Confident	203 Å²	203	47.3 Å²	47.3	77%	0.766	24%	0.239	S	C	*	.	H	α-helix	trans	-62.1	-36.5	177	-67.4	-179.3	178.9	157.8	0.6	112.4	K365 R371	K365-R367 VanDerWaalsContact C-N 3.28Å; K365-R367 PolarHBondContact O-N 3.42Å; R367-R371 VanDerWaalsContact O-CG 3.31Å; R367-R371 WeakPolarHBondContact O-CG 3.5Å; R367-R371 PolarHBondContact O-N 3.23Å; R367-R371 VanDerWaalsContact O-N 3.12Å
368	D	84.3	Confident	85.8	Confident	44 Å²	44	51 Å²	51	24%	0.235	25%	0.253	C	S	.	.	H	α-helix	trans	-78.6	-38.2	-178.6	-61.7	-9.6	0	0	0	110	I235 L360 K365 T366 I370 R371 A372	I235-D368 HydrophobicContact CG2-CB 4.2Å; L360-D368 HydrophobicContact CD1-CB 4.3Å; L360-D368 HydrophobicContact CD2-CB 4.4Å; K365-D368 HydrophobicContact CB-CB 4.16Å; K365-D368 PolarHBondContact O-N 2.97Å; T366-D368 VanDerWaalsContact C-N 3.28Å; T366-D368 PolarHBondContact O-N 3.03Å; D368-I370 PolarHBondContact O-N 2.87Å; D368-R371 PolarHBondContact O-N 2.95Å; D368-R371 IonicContact OD1-CZ 2.93Å; D368-R371 IonicContact OD1-NE 3.88Å; D368-R371 PolarHBondContact OD1-NE 3.22Å; D368-R371 IonicContact OD1-NH2 2.76Å; D368-R371 PolarHBondContact OD1-NH2 2.96Å; D368-A372 WeakPolarHBondContact O-CB 3.44Å; D368-A372 PolarHBondContact O-N 3Å
369	A	86.6	Confident	85.6	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-59.3	-42.4	170.7	0	0	0	0	0	112.3	I357 L360 L361 K365 T366 S373 F441	I357-A369 HydrophobicContact CG2-CB 4.24Å; L360-A369 HydrophobicContact CB-CB 4.15Å; L361-A369 HydrophobicContact CD2-CB 3.59Å; L361-A369 HydrophobicContact CG-CB 3.88Å; K365-A369 PolarHBondContact O-N 3.23Å; T366-A369 PolarHBondContact O-N 2.93Å; A369-S373 VanDerWaalsContact O-CB 3.25Å; A369-S373 WeakPolarHBondContact O-CB 3.38Å; A369-S373 PolarHBondContact O-N 2.83Å; A369-S373 PolarHBondContact O-OG 3.31Å; A369-F441 HydrophobicContact CB-CE2 4.33Å; A369-F441 HydrophobicContact CB-CZ 3.91Å
370	I	86.9	Confident	85.4	Confident	15 Å²	15	49.4 Å²	49.4	8%	0.077	24%	0.244	C	C	.	.	H	α-helix	trans	-63.4	-46	175.1	-67.4	165.3	0	0	0	110.3	T366 D368 S373 Q374 F441 H445 E448	T366-I370 VanDerWaalsContact O-CG1 3.27Å; T366-I370 WeakPolarHBondContact O-CG1 3.43Å; T366-I370 PolarHBondContact O-N 3.41Å; D368-I370 PolarHBondContact O-N 2.87Å; I370-S373 PolarHBondContact O-N 3.12Å; I370-Q374 HydrophobicContact CG2-CG 4.36Å; I370-Q374 VanDerWaalsContact O-CG 3.29Å; I370-Q374 WeakPolarHBondContact O-CG 3.44Å; I370-Q374 PolarHBondContact O-N 3.37Å; I370-F441 HydrophobicContact CG1-CE2 4.01Å; I370-F441 HydrophobicContact CG1-CZ 3.7Å; I370-H445 HydrophobicContact CG1-CB 4.49Å; I370-E448 HydrophobicContact CG2-CB 4.33Å
371	R	85.1	Confident	85.1	Confident	111 Å²	111	53 Å²	53	42%	0.419	26%	0.26	S	S	.	.	H	α-helix	trans	-62.5	-46.6	178.5	-72.8	-171.2	-66.5	156.6	-7.8	112.1	I235 R367 D368 S373 Q374 L375	I235-R371 HydrophobicContact CD1-CB 3.77Å; R367-R371 VanDerWaalsContact O-CG 3.31Å; R367-R371 WeakPolarHBondContact O-CG 3.5Å; R367-R371 PolarHBondContact O-N 3.23Å; R367-R371 VanDerWaalsContact O-N 3.12Å; D368-R371 PolarHBondContact O-N 2.95Å; D368-R371 IonicContact OD1-CZ 2.93Å; D368-R371 IonicContact OD1-NE 3.88Å; D368-R371 PolarHBondContact OD1-NE 3.22Å; D368-R371 IonicContact OD1-NH2 2.76Å; D368-R371 PolarHBondContact OD1-NH2 2.96Å; R371-S373 VanDerWaalsContact C-N 3.3Å; R371-S373 PolarHBondContact O-N 2.95Å; R371-Q374 PolarHBondContact O-N 3.09Å; R371-L375 WeakPolarHBondContact O-CG 3.27Å; R371-L375 PolarHBondContact O-N 2.9Å; R371-L375 VanDerWaalsContact O-N 3.09Å
372	A	85.8	Confident	84.7	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-59.7	-42.2	175.5	0	0	0	0	0	111.4	L232 I235 V236 I357 L360 D368 L375 C376	L232-A372 HydrophobicContact CD1-CB 4.18Å; I235-A372 HydrophobicContact CG2-CB 3.91Å; V236-A372 HydrophobicContact CG2-CB 3.89Å; I357-A372 HydrophobicContact CD1-CB 4.38Å; I357-A372 HydrophobicContact CG1-CB 3.82Å; L360-A372 HydrophobicContact CD1-CB 4.43Å; D368-A372 WeakPolarHBondContact O-CB 3.44Å; D368-A372 PolarHBondContact O-N 3Å; A372-L375 PolarHBondContact O-N 3.01Å; A372-C376 WeakPolarHBondContact O-CB 3.35Å; A372-C376 PolarHBondContact O-N 3.05Å
373	S	86.4	Confident	84.3	Confident	3 Å²	3	53.4 Å²	53.4	2%	0.021	27%	0.27	C	S	.	.	H	α-helix	trans	-66.1	-42.3	177.3	-57.9	0	0	0	0	112.4	A369 I370 R371 L375 C376 L377	A369-S373 VanDerWaalsContact O-CB 3.25Å; A369-S373 WeakPolarHBondContact O-CB 3.38Å; A369-S373 PolarHBondContact O-N 2.83Å; A369-S373 PolarHBondContact O-OG 3.31Å; I370-S373 PolarHBondContact O-N 3.12Å; R371-S373 VanDerWaalsContact C-N 3.3Å; R371-S373 PolarHBondContact O-N 2.95Å; S373-L375 VanDerWaalsContact C-N 3.31Å; S373-L375 PolarHBondContact O-N 2.99Å; S373-C376 PolarHBondContact O-N 3.31Å; S373-L377 WeakPolarHBondContact O-CB 3.38Å; S373-L377 VanDerWaalsContact O-CG 3.26Å; S373-L377 WeakPolarHBondContact O-CG 3.47Å; S373-L377 PolarHBondContact O-N 3.28Å
374	Q	88.8	Confident	84.1	Confident	25 Å²	25	49.7 Å²	49.7	12%	0.117	25%	0.251	C	S	.	.	H	α-helix	trans	-57.4	-43.6	174.2	-76.1	167.8	-16.1	0	0	111.9	I370 R371 R378 E448 L449 P453	I370-Q374 HydrophobicContact CG2-CG 4.36Å; I370-Q374 VanDerWaalsContact O-CG 3.29Å; I370-Q374 WeakPolarHBondContact O-CG 3.44Å; I370-Q374 PolarHBondContact O-N 3.37Å; R371-Q374 PolarHBondContact O-N 3.09Å; Q374-R378 WeakPolarHBondContact O-CB 3.42Å; Q374-R378 PolarHBondContact O-N 3.23Å; Q374-R378 VanDerWaalsContact O-N 3.13Å; Q374-E448 PolarHBondContact NE2-O 3.09Å; Q374-L449 WeakPolarHBondContact CG-O 3.46Å; Q374-P453 HydrophobicContact CB-CG 4.2Å
375	L	85	Confident	84.1	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-68.7	-42.3	177.7	-65	172	0	0	0	111.3	T228 Q231 L232 I235 R371 A372 S373 R378 L379 P453 L456	T228-L375 HydrophobicContact CG2-CB 3.99Å; T228-L375 HydrophobicContact CG2-CD2 3.86Å; T228-L375 WeakPolarHBondContact CG2-O 3.48Å; Q231-L375 HydrophobicContact CB-CD1 3.69Å; Q231-L375 HydrophobicContact CB-CD2 4.34Å; L232-L375 HydrophobicContact CB-CB 4.28Å; L232-L375 HydrophobicContact CB-CD1 4.24Å; L232-L375 HydrophobicContact CD1-CB 4.12Å; I235-L375 HydrophobicContact CD1-CD1 3.87Å; R371-L375 WeakPolarHBondContact O-CG 3.27Å; R371-L375 PolarHBondContact O-N 2.9Å; R371-L375 VanDerWaalsContact O-N 3.09Å; A372-L375 PolarHBondContact O-N 3.01Å; S373-L375 VanDerWaalsContact C-N 3.31Å; S373-L375 PolarHBondContact O-N 2.99Å; L375-R378 WeakPolarHBondContact O-CB 3.45Å; L375-R378 PolarHBondContact O-N 3.16Å; L375-L379 WeakPolarHBondContact O-CG 3.46Å; L375-L379 PolarHBondContact O-N 3.07Å; L375-P453 HydrophobicContact CD2-CG 4.24Å; L375-L456 HydrophobicContact CD2-CD2 3.9Å
376	C	84.4	Confident	83.8	Confident	3 Å²	3	47.8 Å²	47.8	2%	0.02	23%	0.228	C	C	.	.	H	α-helix	trans	-60.3	-47.3	176	-171.3	0	0	0	0	111.9	V353 A372 S373 R378 L379	V353-C376 HydrophobicContact CG1-CB 4.11Å; A372-C376 WeakPolarHBondContact O-CB 3.35Å; A372-C376 PolarHBondContact O-N 3.05Å; S373-C376 PolarHBondContact O-N 3.31Å; C376-R378 PolarHBondContact O-N 3.29Å; C376-L379 WeakPolarHBondContact O-CB 3.49Å; C376-L379 PolarHBondContact O-N 2.88Å; C376-L379 VanDerWaalsContact O-N 3.14Å
377	L	84.1	Confident	83.7	Confident	9 Å²	9	46 Å²	46	5%	0.047	22%	0.215	C	C	.	.	H	α-helix	trans	-67	-24.1	178.5	-66.7	-180	0	0	0	112.9	S373 L379 L380 R385 L388 L449 F450	S373-L377 WeakPolarHBondContact O-CB 3.38Å; S373-L377 VanDerWaalsContact O-CG 3.26Å; S373-L377 WeakPolarHBondContact O-CG 3.47Å; S373-L377 PolarHBondContact O-N 3.28Å; L377-L379 VanDerWaalsContact C-N 3.35Å; L377-L380 HydrophobicContact CD2-CD1 3.57Å; L377-R385 WeakPolarHBondContact O-CD 3.31Å; L377-L388 HydrophobicContact CD2-CD2 3.34Å; L377-L449 HydrophobicContact CD1-CB 3.79Å; L377-L449 HydrophobicContact CD1-CD2 4.45Å; L377-F450 HydrophobicContact CD1-CD1 4.5Å; L377-F450 HydrophobicContact CD1-CE1 4.12Å; L377-F450 HydrophobicContact CD1-CZ 4.2Å
378	R	85	Confident	83.6	Confident	79 Å²	79	36.3 Å²	36.3	30%	0.298	18%	0.178	S	C	.	.	H	α-helix	trans	-72.3	-29.2	174.4	179.1	62.2	100.6	137.9	8.2	112.5	T228 Q374 L375 C376 L380 T452	T228-R378 HydrophobicContact CG2-CB 4.24Å; T228-R378 HydrophobicContact CG2-CG 4.25Å; Q374-R378 WeakPolarHBondContact O-CB 3.42Å; Q374-R378 PolarHBondContact O-N 3.23Å; Q374-R378 VanDerWaalsContact O-N 3.13Å; L375-R378 WeakPolarHBondContact O-CB 3.45Å; L375-R378 PolarHBondContact O-N 3.16Å; C376-R378 PolarHBondContact O-N 3.29Å; R378-L380 VanDerWaalsContact C-N 3.31Å; R378-T452 PolarHBondContact NH2-OG1 3.03Å
379	L	82.5	Confident	83.7	Confident	30 Å²	30	40 Å²	40	16%	0.157	19%	0.189	C	C	.	.	H	α-helix	trans	-77.2	-16.2	176.9	-63.7	169.9	0	0	0	113	K225 T228 L229 L232 I244 Y350 L375 C376 L377	K225-L379 HydrophobicContact CG-CD2 4.22Å; T228-L379 HydrophobicContact CG2-CD1 4.36Å; T228-L379 HydrophobicContact CG2-CD2 3.79Å; T228-L379 HydrophobicContact CG2-CG 3.81Å; L229-L379 HydrophobicContact CD2-CD1 3.59Å; L229-L379 HydrophobicContact CD2-CD2 4.06Å; L229-L379 HydrophobicContact CG-CD1 4.43Å; L229-L379 HydrophobicContact CG-CD2 4.09Å; L232-L379 HydrophobicContact CD2-CD1 3.87Å; I244-L379 HydrophobicContact CG2-CD1 4.46Å; Y350-L379 HydrophobicContact CE1-CB 4.14Å; Y350-L379 HydrophobicContact CE1-CD1 4.32Å; Y350-L379 PolarHBondContact OH-O 2.89Å; L375-L379 WeakPolarHBondContact O-CG 3.46Å; L375-L379 PolarHBondContact O-N 3.07Å; C376-L379 WeakPolarHBondContact O-CB 3.49Å; C376-L379 PolarHBondContact O-N 2.88Å; C376-L379 VanDerWaalsContact O-N 3.14Å; L377-L379 VanDerWaalsContact C-N 3.35Å
380	L	81.6	Confident	83.7	Confident	21 Å²	21	42.6 Å²	42.6	11%	0.11	20%	0.199	C	C	.	.	S	Bend	trans	-69.6	154.4	175.2	-65.2	176.2	0	0	0	112.3	Y350 L377 R378 L388	Y350-L380 HydrophobicContact CD2-CD2 3.98Å; Y350-L380 HydrophobicContact CE2-CD2 3.59Å; L377-L380 HydrophobicContact CD2-CD1 3.57Å; R378-L380 VanDerWaalsContact C-N 3.31Å; L380-L388 HydrophobicContact CD1-CD2 4.49Å
381	E	79.3	Confident	83.6	Confident	95 Å²	95	41.9 Å²	41.9	44%	0.444	20%	0.195	S	C	.	.			trans	-59.3	147	173.3	-65.7	-174.8	-179.8	0	0	111.3	S383 V384 R385	E381-S383 VanDerWaalsContact C-N 3.25Å; E381-S383 PolarHBondContact O-N 2.86Å; E381-V384 HydrophobicContact CB-CG2 4.26Å; E381-V384 PolarHBondContact O-N 2.79Å; E381-R385 WeakPolarHBondContact O-CB 3.27Å; E381-R385 PolarHBondContact O-N 3.15Å
382	T	78.3	Confident	83.7	Confident	102 Å²	102	36.6 Å²	36.6	63%	0.626	18%	0.175	S	C	*	.	H	α-helix	trans	-61.6	-33.2	-175.4	50.7	0	0	0	0	113.3	D386	T382-D386 PolarHBondContact O-N 3.1Å; T382-D386 VanDerWaalsContact O-N 3.14Å
383	S	77.4	Confident	83.7	Confident	53 Å²	53	38.5 Å²	38.5	37%	0.371	19%	0.187	S	C	.	.	H	α-helix	trans	-64.5	-54.4	175.2	44	0	0	0	0	111.3	E381 R385 D386 E387	E381-S383 VanDerWaalsContact C-N 3.25Å; E381-S383 PolarHBondContact O-N 2.86Å; S383-R385 VanDerWaalsContact C-N 3.29Å; S383-R385 PolarHBondContact O-N 3.32Å; S383-D386 PolarHBondContact O-N 2.96Å; S383-E387 WeakPolarHBondContact O-CB 3.41Å; S383-E387 PolarHBondContact O-N 3.39Å
384	V	80.6	Confident	83.7	Confident	27 Å²	27	38.4 Å²	38.4	16%	0.164	19%	0.186	C	C	.	.	H	α-helix	trans	-62.6	-37.8	-180	-178.4	0	0	0	0	111.1	L345 E381 E387 L388	L345-V384 HydrophobicContact CB-CG1 4.36Å; L345-V384 HydrophobicContact CD2-CG1 4.18Å; L345-V384 WeakPolarHBondContact O-CG1 3.28Å; E381-V384 HydrophobicContact CB-CG2 4.26Å; E381-V384 PolarHBondContact O-N 2.79Å; V384-E387 PolarHBondContact O-N 3.02Å; V384-L388 VanDerWaalsContact O-CB 3.27Å; V384-L388 WeakPolarHBondContact O-CB 3.42Å; V384-L388 PolarHBondContact O-N 3.43Å
385	R	83.1	Confident	83.5	Confident	76 Å²	76	37.2 Å²	37.2	29%	0.287	18%	0.18	S	C	.	.	H	α-helix	trans	-65.7	-41.1	177.3	-171.3	-177.3	67.5	-159	1.2	112.4	L377 E381 S383 R389 F450	L377-R385 WeakPolarHBondContact O-CD 3.31Å; E381-R385 WeakPolarHBondContact O-CB 3.27Å; E381-R385 PolarHBondContact O-N 3.15Å; S383-R385 VanDerWaalsContact C-N 3.29Å; S383-R385 PolarHBondContact O-N 3.32Å; R385-R389 WeakPolarHBondContact O-CB 3.24Å; R385-R389 PolarHBondContact O-N 3.35Å; R385-F450 HydrophobicContact CG-CD1 3.88Å; R385-F450 HydrophobicContact CG-CE1 3.78Å; R385-F450 WeakPolarHBondContact O-CE1 3.39Å
386	D	82.6	Confident	83.5	Confident	37 Å²	37	37.6 Å²	37.6	20%	0.198	18%	0.184	C	C	.	.	H	α-helix	trans	-67.7	-43.3	177.1	-170.6	45.6	0	0	0	111.5	T382 S383 R389 R390	T382-D386 PolarHBondContact O-N 3.1Å; T382-D386 VanDerWaalsContact O-N 3.14Å; S383-D386 PolarHBondContact O-N 2.96Å; D386-R389 WeakPolarHBondContact O-CB 3.46Å; D386-R389 PolarHBondContact O-N 3.12Å; D386-R389 IonicContact OD1-CZ 2.68Å; D386-R389 IonicContact OD1-NE 3.39Å; D386-R389 PolarHBondContact OD1-NE 3.39Å; D386-R389 IonicContact OD1-NH2 2.65Å; D386-R389 PolarHBondContact OD1-NH2 3.1Å; D386-R390 WeakPolarHBondContact O-CG 3.19Å; D386-R390 PolarHBondContact O-N 3.26Å; D386-R390 IonicContact OD1-NE 3.54Å; D386-R390 IonicContact OD2-CZ 3.18Å; D386-R390 IonicContact OD2-NE 3.79Å; D386-R390 PolarHBondContact OD2-NE 3.43Å; D386-R390 IonicContact OD2-NH2 3.54Å; D386-R390 PolarHBondContact OD2-NH2 2.69Å
387	E	83.6	Confident	83.4	Confident	31 Å²	31	38.4 Å²	38.4	15%	0.145	19%	0.188	C	C	.	.	H	α-helix	trans	-59.5	-47.3	175.5	178.7	170.7	-171.5	0	0	112.4	L298 Y337 K342 L345 S383 V384 R389 R390 L391	L298-E387 HydrophobicContact CD1-CB 3.81Å; L298-E387 HydrophobicContact CD1-CG 3.78Å; Y337-E387 HydrophobicContact CE1-CG 4.36Å; Y337-E387 WeakPolarHBondContact CE1-OE1 3.43Å; K342-E387 WeakPolarHBondContact CE-OE1 3.45Å; K342-E387 IonicContact NZ-OE1 2.63Å; K342-E387 PolarHBondContact NZ-OE1 3.25Å; L345-E387 HydrophobicContact CD1-CG 4.15Å; L345-E387 VanDerWaalsContact CD2-CD 3.45Å; L345-E387 HydrophobicContact CD2-CG 3.86Å; S383-E387 WeakPolarHBondContact O-CB 3.41Å; S383-E387 PolarHBondContact O-N 3.39Å; V384-E387 PolarHBondContact O-N 3.02Å; E387-R389 VanDerWaalsContact C-N 3.31Å; E387-R389 PolarHBondContact O-N 3.15Å; E387-R390 PolarHBondContact O-N 2.98Å; E387-L391 WeakPolarHBondContact O-CB 3.29Å; E387-L391 PolarHBondContact O-N 3.4Å
388	L	85	Confident	83.3	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61.9	-39.5	176.2	-174.6	68.8	0	0	0	111.8	L345 L377 L380 V384 L392 L424 F450	L345-L388 HydrophobicContact CB-CD1 4.34Å; L345-L388 HydrophobicContact CD1-CB 4.46Å; L345-L388 HydrophobicContact CD1-CD1 4.04Å; L377-L388 HydrophobicContact CD2-CD2 3.34Å; L380-L388 HydrophobicContact CD1-CD2 4.49Å; V384-L388 VanDerWaalsContact O-CB 3.27Å; V384-L388 WeakPolarHBondContact O-CB 3.42Å; V384-L388 PolarHBondContact O-N 3.43Å; L388-L392 HydrophobicContact CD1-CD1 4.15Å; L388-L392 HydrophobicContact CD1-CG 4.17Å; L388-L392 HydrophobicContact CD2-CD1 4.4Å; L388-L392 HydrophobicContact CG-CD1 3.87Å; L388-L392 HydrophobicContact CG-CG 4.26Å; L388-L392 VanDerWaalsContact O-CB 3.32Å; L388-L392 WeakPolarHBondContact O-CB 3.34Å; L388-L392 VanDerWaalsContact O-CG 3.26Å; L388-L392 WeakPolarHBondContact O-CG 3.39Å; L388-L392 PolarHBondContact O-N 3.36Å; L388-L424 HydrophobicContact CD1-CD2 3.32Å; L388-F450 HydrophobicContact CB-CZ 4.38Å; L388-F450 HydrophobicContact CD2-CZ 4.25Å; L388-F450 HydrophobicContact CG-CZ 4.17Å
389	R	86.7	Confident	83.1	Confident	122 Å²	122	35 Å²	35	46%	0.46	18%	0.178	S	C	.	.	H	α-helix	trans	-63	-48.8	178.1	-179.7	178.7	63.5	171.1	5.7	111.8	R385 D386 E387 T393 F450	R385-R389 WeakPolarHBondContact O-CB 3.24Å; R385-R389 PolarHBondContact O-N 3.35Å; D386-R389 WeakPolarHBondContact O-CB 3.46Å; D386-R389 PolarHBondContact O-N 3.12Å; D386-R389 IonicContact OD1-CZ 2.68Å; D386-R389 IonicContact OD1-NE 3.39Å; D386-R389 PolarHBondContact OD1-NE 3.39Å; D386-R389 IonicContact OD1-NH2 2.65Å; D386-R389 PolarHBondContact OD1-NH2 3.1Å; E387-R389 VanDerWaalsContact C-N 3.31Å; E387-R389 PolarHBondContact O-N 3.15Å; R389-T393 WeakPolarHBondContact O-CB 3.47Å; R389-T393 PolarHBondContact O-N 3.43Å; R389-T393 PolarHBondContact O-OG1 3.45Å; R389-F450 HydrophobicContact CB-CD1 4.1Å; R389-F450 HydrophobicContact CB-CD2 4.11Å; R389-F450 HydrophobicContact CB-CE1 3.74Å; R389-F450 HydrophobicContact CB-CE2 3.77Å; R389-F450 HydrophobicContact CB-CG 4.28Å; R389-F450 HydrophobicContact CB-CZ 3.57Å; R389-F450 HydrophobicContact CG-CD1 4.46Å; R389-F450 HydrophobicContact CG-CD2 3.9Å; R389-F450 HydrophobicContact CG-CE1 4.5Å; R389-F450 HydrophobicContact CG-CE2 3.96Å; R389-F450 HydrophobicContact CG-CG 4.17Å; R389-F450 HydrophobicContact CG-CZ 4.27Å
390	R	85.2	Confident	82.8	Confident	53 Å²	53	37.9 Å²	37.9	20%	0.2	19%	0.191	C	C	.	.	H	α-helix	trans	-63.5	-44.8	179.3	-68.1	169.1	-179	-119.4	4.9	110.6	D294 C295 E297 D386 E387 T393 F394	D294-R390 HydrophobicContact CB-CG 4.48Å; D294-R390 WeakPolarHBondContact O-CD 3.25Å; D294-R390 PolarHBondContact O-NH1 2.91Å; C295-R390 PolarHBondContact SG-O 2.83Å; E297-R390 IonicContact OE2-CZ 2.71Å; E297-R390 IonicContact OE2-NH1 2.81Å; E297-R390 PolarHBondContact OE2-NH1 3.39Å; E297-R390 IonicContact OE2-NH2 3.43Å; D386-R390 WeakPolarHBondContact O-CG 3.19Å; D386-R390 PolarHBondContact O-N 3.26Å; D386-R390 IonicContact OD1-NE 3.54Å; D386-R390 IonicContact OD2-CZ 3.18Å; D386-R390 IonicContact OD2-NE 3.79Å; D386-R390 PolarHBondContact OD2-NE 3.43Å; D386-R390 IonicContact OD2-NH2 3.54Å; D386-R390 PolarHBondContact OD2-NH2 2.69Å; E387-R390 PolarHBondContact O-N 2.98Å; R390-T393 PolarHBondContact O-N 3.4Å; R390-F394 PolarHBondContact O-N 2.9Å
391	L	86.2	Confident	81.8	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63	-47.6	177.1	-179.9	62.2	0	0	0	112.8	Y337 L345 E387 T393 F394 M395 F420 L424	Y337-L391 HydrophobicContact CD1-CD2 3.9Å; Y337-L391 HydrophobicContact CD2-CD1 4.08Å; Y337-L391 HydrophobicContact CE1-CD2 3.65Å; Y337-L391 HydrophobicContact CE1-CG 4.5Å; Y337-L391 HydrophobicContact CE2-CD1 3.74Å; Y337-L391 HydrophobicContact CE2-CD2 4.34Å; Y337-L391 HydrophobicContact CG-CD2 4.35Å; L345-L391 HydrophobicContact CD1-CD2 3.83Å; E387-L391 WeakPolarHBondContact O-CB 3.29Å; E387-L391 PolarHBondContact O-N 3.4Å; L391-T393 VanDerWaalsContact C-N 3.29Å; L391-T393 PolarHBondContact O-N 3.01Å; L391-F394 PolarHBondContact O-N 2.97Å; L391-M395 HydrophobicContact CD1-CG 4.21Å; L391-M395 HydrophobicContact CD1-SD 4.31Å; L391-M395 HydrophobicContact CD2-SD 4.49Å; L391-M395 HydrophobicContact CG-CG 4.36Å; L391-M395 HydrophobicContact CG-SD 4Å; L391-M395 WeakPolarHBondContact O-CB 3.45Å; L391-M395 VanDerWaalsContact O-CG 3.27Å; L391-M395 WeakPolarHBondContact O-CG 3.49Å; L391-M395 PolarHBondContact O-N 3.29Å; L391-F420 HydrophobicContact CD1-CD1 4.04Å; L391-F420 HydrophobicContact CD1-CE1 4Å; L391-F420 HydrophobicContact CD1-CG 4.45Å; L391-F420 HydrophobicContact CD1-CZ 4.36Å; L391-L424 HydrophobicContact CD2-CD2 3.71Å; L391-L424 HydrophobicContact CD2-CG 4.17Å
392	L	86.5	Confident	80.9	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.7	-36.1	178.6	-73.8	175.5	0	0	0	111.9	L388 M395 A396 L442 F450	L388-L392 HydrophobicContact CD1-CD1 4.15Å; L388-L392 HydrophobicContact CD1-CG 4.17Å; L388-L392 HydrophobicContact CD2-CD1 4.4Å; L388-L392 HydrophobicContact CG-CD1 3.87Å; L388-L392 HydrophobicContact CG-CG 4.26Å; L388-L392 VanDerWaalsContact O-CB 3.32Å; L388-L392 WeakPolarHBondContact O-CB 3.34Å; L388-L392 VanDerWaalsContact O-CG 3.26Å; L388-L392 WeakPolarHBondContact O-CG 3.39Å; L388-L392 PolarHBondContact O-N 3.36Å; L392-M395 HydrophobicContact CD2-SD 4.44Å; L392-M395 PolarHBondContact O-N 3.32Å; L392-A396 WeakPolarHBondContact O-CB 3.26Å; L392-A396 PolarHBondContact O-N 3.06Å; L392-L442 HydrophobicContact CD1-CB 4.3Å; L392-L442 HydrophobicContact CD2-CB 4.04Å; L392-F450 HydrophobicContact CD1-CE2 4.04Å; L392-F450 HydrophobicContact CD1-CZ 4.12Å
393	T	85.4	Confident	79.9	Confident	41 Å²	41	38.9 Å²	38.9	25%	0.252	21%	0.205	S	C	.	.	H	α-helix	trans	-64.4	-46.7	175	-55.6	0	0	0	0	110.7	R389 R390 L391 M395 A396 I397 Y446	R389-T393 WeakPolarHBondContact O-CB 3.47Å; R389-T393 PolarHBondContact O-N 3.43Å; R389-T393 PolarHBondContact O-OG1 3.45Å; R390-T393 PolarHBondContact O-N 3.4Å; L391-T393 VanDerWaalsContact C-N 3.29Å; L391-T393 PolarHBondContact O-N 3.01Å; T393-M395 PolarHBondContact O-N 2.94Å; T393-A396 PolarHBondContact O-N 3.18Å; T393-I397 HydrophobicContact CG2-CD1 3.88Å; T393-I397 WeakPolarHBondContact O-CD1 3.47Å; T393-I397 VanDerWaalsContact O-CG1 3.31Å; T393-I397 WeakPolarHBondContact O-CG1 3.33Å; T393-I397 PolarHBondContact O-N 3.29Å; T393-I397 VanDerWaalsContact O-N 3.08Å; T393-Y446 HydrophobicContact CG2-CE2 4.2Å
394	F	85.8	Confident	79.1	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-59.8	-45.1	173.8	172.9	-104.3	0	0	0	112.1	W288 A291 A292 F330 I333 R390 L391 A396 I397 A398 F420	W288-F394 HydrophobicContact CD2-CE2 4.33Å; W288-F394 AromaticContact CE2-CE2 3.77Å; W288-F394 AromaticContact CH2-CE2 3.85Å; W288-F394 HydrophobicContact CH2-CE2 3.85Å; W288-F394 HydrophobicContact CH2-CZ 4.06Å; W288-F394 AromaticContact CZ2-CE2 3.54Å; W288-F394 HydrophobicContact CZ2-CE2 3.54Å; W288-F394 AromaticContact CZ2-CZ 3.66Å; W288-F394 HydrophobicContact CZ2-CZ 3.66Å; W288-F394 HydrophobicContact CZ3-CE2 4.39Å; A291-F394 HydrophobicContact CB-CB 4.34Å; A291-F394 HydrophobicContact CB-CD2 4.35Å; A292-F394 HydrophobicContact CB-CD2 4.05Å; A292-F394 HydrophobicContact CB-CE2 3.76Å; F330-F394 HydrophobicContact CD2-CE1 4.14Å; F330-F394 HydrophobicContact CD2-CZ 4.12Å; I333-F394 HydrophobicContact CD1-CD1 4.42Å; I333-F394 HydrophobicContact CD1-CD2 4.49Å; I333-F394 HydrophobicContact CD1-CE1 3.92Å; I333-F394 HydrophobicContact CD1-CE2 4.01Å; I333-F394 HydrophobicContact CD1-CZ 3.69Å; I333-F394 HydrophobicContact CG2-CD1 4.41Å; I333-F394 HydrophobicContact CG2-CE1 4.11Å; R390-F394 PolarHBondContact O-N 2.9Å; L391-F394 PolarHBondContact O-N 2.97Å; F394-A396 PolarHBondContact O-N 3.4Å; F394-I397 PolarHBondContact O-N 3.06Å; F394-A398 HydrophobicContact CZ-CB 4.41Å; F394-A398 WeakPolarHBondContact O-CB 3.17Å; F394-A398 PolarHBondContact O-N 3.24Å; F394-F420 HydrophobicContact CE1-CE2 4.22Å; F394-F420 HydrophobicContact CE1-CZ 4.11Å
395	M	85.4	Confident	78.3	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.6	-43.8	178.1	-73.5	177.4	65.1	0	0	112.3	L391 L392 T393 A398 A399 V416 F420 L424 V439 M443	L391-M395 HydrophobicContact CD1-CG 4.21Å; L391-M395 HydrophobicContact CD1-SD 4.31Å; L391-M395 HydrophobicContact CD2-SD 4.49Å; L391-M395 HydrophobicContact CG-CG 4.36Å; L391-M395 HydrophobicContact CG-SD 4Å; L391-M395 WeakPolarHBondContact O-CB 3.45Å; L391-M395 VanDerWaalsContact O-CG 3.27Å; L391-M395 WeakPolarHBondContact O-CG 3.49Å; L391-M395 PolarHBondContact O-N 3.29Å; L392-M395 HydrophobicContact CD2-SD 4.44Å; L392-M395 PolarHBondContact O-N 3.32Å; T393-M395 PolarHBondContact O-N 2.94Å; M395-A398 PolarHBondContact O-N 3.49Å; M395-A399 WeakPolarHBondContact O-CB 3.27Å; M395-A399 PolarHBondContact O-N 2.71Å; M395-V416 HydrophobicContact CB-CG1 3.63Å; M395-V416 HydrophobicContact CE-CG1 3.86Å; M395-V416 HydrophobicContact CG-CG1 3.65Å; M395-F420 HydrophobicContact CE-CB 3.71Å; M395-F420 HydrophobicContact CE-CD2 4.07Å; M395-F420 HydrophobicContact CE-CG 4.27Å; M395-F420 HydrophobicContact CG-CD2 3.65Å; M395-F420 HydrophobicContact CG-CE2 4.09Å; M395-F420 HydrophobicContact CG-CG 4.24Å; M395-F420 HydrophobicContact SD-CB 3.66Å; M395-F420 HydrophobicContact SD-CD2 3.83Å; M395-F420 HydrophobicContact SD-CG 3.87Å; M395-L424 HydrophobicContact CE-CD1 3.81Å; M395-L424 HydrophobicContact SD-CD1 3.66Å; M395-V439 HydrophobicContact CE-CG1 3.78Å; M395-M443 HydrophobicContact CB-CG 4.25Å; M395-M443 HydrophobicContact CB-SD 4.09Å; M395-M443 HydrophobicContact CE-SD 4.38Å
396	A	84.8	Confident	77.4	Confident	10 Å²	10	43.3 Å²	43.3	8%	0.083	22%	0.217	C	C	.	.	H	α-helix	trans	-62.5	-44.7	178.3	0	0	0	0	0	111.5	L392 T393 F394 A399 Q400 M443 Y446	L392-A396 WeakPolarHBondContact O-CB 3.26Å; L392-A396 PolarHBondContact O-N 3.06Å; T393-A396 PolarHBondContact O-N 3.18Å; F394-A396 PolarHBondContact O-N 3.4Å; A396-A399 PolarHBondContact O-N 3Å; A396-Q400 WeakPolarHBondContact O-CG 3.49Å; A396-Q400 PolarHBondContact O-N 2.97Å; A396-M443 HydrophobicContact CB-CG 4.24Å; A396-Y446 HydrophobicContact CB-CD1 3.64Å; A396-Y446 HydrophobicContact CB-CE1 3.65Å; A396-Y446 HydrophobicContact CB-CG 4.1Å
397	I	83.2	Confident	76.6	Confident	21 Å²	21	46 Å²	46	11%	0.108	23%	0.229	C	C	.	.	H	α-helix	trans	-69.7	-39.2	178.4	-62.1	163.8	0	0	0	110.9	W288 A291 T393 F394 A399 Q400 A403	W288-I397 HydrophobicContact CB-CG2 3.98Å; W288-I397 HydrophobicContact CG-CG2 4.31Å; A291-I397 HydrophobicContact CB-CD1 3.64Å; T393-I397 HydrophobicContact CG2-CD1 3.88Å; T393-I397 WeakPolarHBondContact O-CD1 3.47Å; T393-I397 VanDerWaalsContact O-CG1 3.31Å; T393-I397 WeakPolarHBondContact O-CG1 3.33Å; T393-I397 PolarHBondContact O-N 3.29Å; T393-I397 VanDerWaalsContact O-N 3.08Å; F394-I397 PolarHBondContact O-N 3.06Å; I397-A399 VanDerWaalsContact C-N 3.28Å; I397-A399 PolarHBondContact O-N 3.42Å; I397-Q400 PolarHBondContact O-N 2.83Å; I397-A403 WeakPolarHBondContact O-CB 3.3Å
398	A	80.5	Confident	75.5	Confident	1 Å²	1	54 Å²	54	1%	0.008	26%	0.263	C	S	.	.	H	α-helix	trans	-69.7	-24.2	176.2	0	0	0	0	0	113.5	F394 M395 V416	F394-A398 HydrophobicContact CZ-CB 4.41Å; F394-A398 WeakPolarHBondContact O-CB 3.17Å; F394-A398 PolarHBondContact O-N 3.24Å; M395-A398 PolarHBondContact O-N 3.49Å; A398-V416 HydrophobicContact CB-CG2 4.03Å
399	A	80.7	Confident	74.4	Confident	16 Å²	16	62.8 Å²	62.8	13%	0.132	30%	0.304	C	S	.	.	H	α-helix	trans	-77.5	-20.2	176.4	0	0	0	0	0	113.1	M395 A396 I397 R413 M443	M395-A399 WeakPolarHBondContact O-CB 3.27Å; M395-A399 PolarHBondContact O-N 2.71Å; A396-A399 PolarHBondContact O-N 3Å; I397-A399 VanDerWaalsContact C-N 3.28Å; I397-A399 PolarHBondContact O-N 3.42Å; A399-R413 HydrophobicContact CB-CB 4.29Å; A399-R413 HydrophobicContact CB-CG 4.46Å; A399-M443 HydrophobicContact CB-CE 4.05Å; A399-M443 HydrophobicContact CB-SD 3.86Å
400	Q	77.6	Confident	73.6	Confident	89 Å²	89	59.3 Å²	59.3	42%	0.416	30%	0.297	S	S	.	.	S	Bend	trans	-69.4	138.5	176.9	-61.3	173.3	-12.9	0	0	110.4	A396 I397 D402 A403 N412	A396-Q400 WeakPolarHBondContact O-CG 3.49Å; A396-Q400 PolarHBondContact O-N 2.97Å; I397-Q400 PolarHBondContact O-N 2.83Å; Q400-D402 VanDerWaalsContact C-N 3.27Å; Q400-D402 WeakPolarHBondContact CB-OD1 3.36Å; Q400-D402 PolarHBondContact O-N 3.4Å; Q400-A403 PolarHBondContact O-N 3.35Å; Q400-N412 PolarHBondContact O-ND2 3.38Å
401	S	61	Low	73.2	Confident	107 Å²	107	62.7 Å²	62.7	75%	0.748	32%	0.319	S	S	*	.	S	Bend	trans	-76.2	-14.1	-171.4	53.2	0	0	0	0	114.3
402	D	60	Low	72.9	Confident	124 Å²	124	63.3 Å²	63.3	66%	0.663	32%	0.322	S	S	*	.	S	Bend	trans	-79.8	-29.6	176.6	52.8	-5	0	0	0	112.7	Q400 C404	Q400-D402 VanDerWaalsContact C-N 3.27Å; Q400-D402 WeakPolarHBondContact CB-OD1 3.36Å; Q400-D402 PolarHBondContact O-N 3.4Å; D402-C404 PolarHBondContact O-N 3.32Å
403	A	57.8	Low	72.7	Confident	8 Å²	8	67.7 Å²	67.7	7%	0.066	34%	0.338	C	S	.	.	S	Bend	trans	-79.5	16.4	-170	0	0	0	0	0	116.8	W288 K326 I397 Q400	W288-A403 HydrophobicContact CB-CB 4.42Å; W288-A403 HydrophobicContact CG-CB 4.34Å; K326-A403 PolarHBondContact NZ-O 2.95Å; I397-A403 WeakPolarHBondContact O-CB 3.3Å; Q400-A403 PolarHBondContact O-N 3.35Å
404	C	59.1	Low	72.4	Confident	39 Å²	39	68 Å²	68	26%	0.264	34%	0.34	S	S	.	.			trans	95.3	133.6	-172.9	-57.9	0	0	0	0	114.7	K326 D402 L406 N412	K326-C404 HydrophobicContact CD-CB 3.93Å; K326-C404 VanDerWaalsContact CD-SG 3.53Å; K326-C404 PolarHBondContact NZ-SG 3.02Å; D402-C404 PolarHBondContact O-N 3.32Å; C404-L406 PolarHBondContact O-N 3.04Å; C404-N412 PolarHBondContact O-ND2 3.34Å
405	R	63.4	Low	72.3	Confident	191 Å²	191	69.2 Å²	69.2	72%	0.721	35%	0.347	S	S	*	.			trans	-73.3	113.3	174.8	-69	-174.6	177.6	-175.5	-1.4	110.3
406	L	64.3	Low	72.2	Confident	19 Å²	19	69.2 Å²	69.2	10%	0.099	35%	0.347	C	S	.	.	S	Bend	trans	-71.1	-40.6	179.5	-66.8	171.4	0	0	0	110.8	R327 F330 C404 N412 L415 V416	R327-L406 HydrophobicContact CG-CD2 4.47Å; F330-L406 HydrophobicContact CB-CD2 3.96Å; F330-L406 HydrophobicContact CD1-CD1 4.43Å; F330-L406 HydrophobicContact CD1-CD2 4.4Å; F330-L406 HydrophobicContact CD2-CD1 3.78Å; F330-L406 HydrophobicContact CD2-CD2 4.3Å; F330-L406 HydrophobicContact CE1-CD1 4.41Å; F330-L406 HydrophobicContact CE2-CD1 3.76Å; F330-L406 HydrophobicContact CG-CD1 4.12Å; F330-L406 HydrophobicContact CG-CD2 3.96Å; F330-L406 HydrophobicContact CZ-CD1 4.08Å; C404-L406 PolarHBondContact O-N 3.04Å; L406-N412 PolarHBondContact N-OD1 3.04Å; L406-L415 HydrophobicContact CB-CD2 3.66Å; L406-L415 HydrophobicContact CD1-CD2 4.27Å; L406-V416 HydrophobicContact CD1-CG2 3.99Å
407	Q	65.6	Low	72.1	Confident	94 Å²	94	68.8 Å²	68.8	44%	0.439	34%	0.343	S	S	.	.			trans	-135.2	143.7	176.4	-157.2	169.9	14.7	0	0	111.2	Q409 L415	Q407-Q409 VanDerWaalsContact C-N 3.33Å; Q407-Q409 PolarHBondContact O-N 3.22Å; Q407-L415 HydrophobicContact CB-CD2 3.98Å
408	K	62.3	Low	72.1	Confident	199 Å²	199	74.2 Å²	74.2	87%	0.865	36%	0.362	S	S	*	.	S	Bend	trans	-74.1	-18.4	-173.7	-69.4	-176.4	178.6	-179.4	0	114.5
409	Q	61.8	Low	72.1	Confident	184 Å²	184	75.6 Å²	75.6	86%	0.86	37%	0.37	S	S	*	.	S	Bend	trans	-115.9	-7.4	-170.3	-69.7	-170.9	-16.4	0	0	114.7	Q407	Q407-Q409 VanDerWaalsContact C-N 3.33Å; Q407-Q409 PolarHBondContact O-N 3.22Å
410	V	69.9	Low	72.3	Confident	50 Å²	50	74.9 Å²	74.9	30%	0.303	36%	0.364	S	S	.	.	S	Bend	trans	-133.3	138.4	-172.3	-177.2	0	0	0	0	109.1	N412 T414 L415	V410-N412 PolarHBondContact O-N 3.2Å; V410-T414 WeakPolarHBondContact CG1-OG1 3.44Å; V410-L415 HydrophobicContact CG1-CB 4.26Å
411	D	76.2	Confident	72.5	Confident	124 Å²	124	71.7 Å²	71.7	66%	0.663	35%	0.349	S	S	*	.			trans	-62	130.6	175.6	-69	-28.4	0	0	0	110.6	R413 T414 L415	D411-R413 PolarHBondContact O-N 3.08Å; D411-R413 VanDerWaalsContact O-N 3.08Å; D411-T414 HydrophobicContact CB-CG2 4.42Å; D411-T414 PolarHBondContact O-N 3.2Å; D411-T414 PolarHBondContact O-OG1 3.49Å; D411-L415 PolarHBondContact O-N 3.03Å
412	N	80.4	Confident	73.3	Confident	12 Å²	12	73.2 Å²	73.2	6%	0.064	34%	0.339	C	S	.	.	H	α-helix	trans	-47.4	-42.4	179.5	-78	-0.7	0	0	0	111.9	Q400 C404 L406 V410 T414 L415 V416	Q400-N412 PolarHBondContact O-ND2 3.38Å; C404-N412 PolarHBondContact O-ND2 3.34Å; L406-N412 PolarHBondContact N-OD1 3.04Å; V410-N412 PolarHBondContact O-N 3.2Å; N412-T414 PolarHBondContact O-N 3.31Å; N412-L415 PolarHBondContact O-N 3.22Å; N412-V416 WeakPolarHBondContact O-CB 3.29Å; N412-V416 WeakPolarHBondContact O-CG2 3.38Å; N412-V416 PolarHBondContact O-N 3.14Å
413	R	80.9	Confident	73.9	Confident	93 Å²	93	67.5 Å²	67.5	35%	0.351	31%	0.309	S	S	.	.	H	α-helix	trans	-56.6	-49	178.2	-173.7	-179.4	173.9	81.5	2.5	113.4	A399 D411 C417 L440 M443 D444	A399-R413 HydrophobicContact CB-CB 4.29Å; A399-R413 HydrophobicContact CB-CG 4.46Å; D411-R413 PolarHBondContact O-N 3.08Å; D411-R413 VanDerWaalsContact O-N 3.08Å; R413-C417 PolarHBondContact O-N 3.5Å; R413-C417 VanDerWaalsContact O-N 3.14Å; R413-L440 HydrophobicContact CG-CD2 4.25Å; R413-M443 HydrophobicContact CG-CE 3.82Å; R413-D444 IonicContact CZ-OD1 3.97Å; R413-D444 IonicContact CZ-OD2 3.68Å; R413-D444 IonicContact NH1-OD1 3.89Å; R413-D444 PolarHBondContact NH1-OD1 3.15Å; R413-D444 IonicContact NH2-OD1 3.49Å; R413-D444 PolarHBondContact NH2-OD1 2.86Å; R413-D444 IonicContact NH2-OD2 2.69Å; R413-D444 PolarHBondContact NH2-OD2 2.82Å
414	T	80.8	Confident	74.7	Confident	46 Å²	46	67.1 Å²	67.1	28%	0.282	31%	0.306	S	S	.	.	H	α-helix	trans	-72.9	-34.7	-179.2	64.5	0	0	0	0	111.7	V410 D411 N412 R418	V410-T414 WeakPolarHBondContact CG1-OG1 3.44Å; D411-T414 HydrophobicContact CB-CG2 4.42Å; D411-T414 PolarHBondContact O-N 3.2Å; D411-T414 PolarHBondContact O-OG1 3.49Å; N412-T414 PolarHBondContact O-N 3.31Å; T414-R418 WeakPolarHBondContact O-CB 3.31Å; T414-R418 VanDerWaalsContact O-CG 3.29Å; T414-R418 WeakPolarHBondContact O-CG 3.34Å; T414-R418 PolarHBondContact O-N 3.03Å
415	L	82.8	Confident	75.4	Confident	27 Å²	27	65.7 Å²	65.7	14%	0.141	30%	0.296	C	S	.	.	H	α-helix	trans	-62.5	-54.1	175.6	-179.8	66.5	0	0	0	110.7	F330 L406 Q407 V410 D411 N412 C417 R418 T419	F330-L415 HydrophobicContact CE1-CD2 4.4Å; F330-L415 HydrophobicContact CZ-CG 4.4Å; L406-L415 HydrophobicContact CB-CD2 3.66Å; L406-L415 HydrophobicContact CD1-CD2 4.27Å; Q407-L415 HydrophobicContact CB-CD2 3.98Å; V410-L415 HydrophobicContact CG1-CB 4.26Å; D411-L415 PolarHBondContact O-N 3.03Å; N412-L415 PolarHBondContact O-N 3.22Å; L415-C417 VanDerWaalsContact C-N 3.32Å; L415-C417 PolarHBondContact O-N 2.76Å; L415-R418 PolarHBondContact O-N 2.97Å; L415-T419 HydrophobicContact CD1-CG2 4.08Å; L415-T419 HydrophobicContact CG-CG2 4.35Å; L415-T419 WeakPolarHBondContact O-CG2 3.46Å; L415-T419 PolarHBondContact O-N 2.96Å; L415-T419 PolarHBondContact O-OG1 3.28Å; L415-T419 VanDerWaalsContact O-OG1 3.05Å
416	V	83.4	Confident	75.5	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-58.5	-43.8	-179.4	172.7	0	0	0	0	111	F330 M395 A398 L406 N412 T419 F420 M443	F330-V416 HydrophobicContact CE2-CG2 3.91Å; F330-V416 HydrophobicContact CZ-CG2 4.38Å; M395-V416 HydrophobicContact CB-CG1 3.63Å; M395-V416 HydrophobicContact CE-CG1 3.86Å; M395-V416 HydrophobicContact CG-CG1 3.65Å; A398-V416 HydrophobicContact CB-CG2 4.03Å; L406-V416 HydrophobicContact CD1-CG2 3.99Å; N412-V416 WeakPolarHBondContact O-CB 3.29Å; N412-V416 WeakPolarHBondContact O-CG2 3.38Å; N412-V416 PolarHBondContact O-N 3.14Å; V416-T419 WeakPolarHBondContact CA-OG1 3.48Å; V416-T419 PolarHBondContact O-N 2.85Å; V416-T419 PolarHBondContact O-OG1 3.26Å; V416-F420 HydrophobicContact CG1-CD2 3.96Å; V416-F420 HydrophobicContact CG1-CE2 4.28Å; V416-F420 VanDerWaalsContact O-CD2 3.29Å; V416-F420 WeakPolarHBondContact O-CD2 3.15Å; V416-F420 PolarHBondContact O-N 2.93Å; V416-F420 VanDerWaalsContact O-N 3.13Å; V416-M443 HydrophobicContact CG1-SD 4.28Å
417	C	83.1	Confident	75.5	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.007	28%	0.283	C	S	.	.	H	α-helix	trans	-61	-48.8	175.7	-82.9	0	0	0	0	112.1	R413 L415 T419 F420 Q421 V439 L440	R413-C417 PolarHBondContact O-N 3.5Å; R413-C417 VanDerWaalsContact O-N 3.14Å; L415-C417 VanDerWaalsContact C-N 3.32Å; L415-C417 PolarHBondContact O-N 2.76Å; C417-T419 PolarHBondContact O-N 3.44Å; C417-F420 PolarHBondContact O-N 3.05Å; C417-Q421 VanDerWaalsContact O-CB 3.28Å; C417-Q421 WeakPolarHBondContact O-CB 3.35Å; C417-Q421 PolarHBondContact O-N 3.07Å; C417-V439 HydrophobicContact CB-CG1 4.45Å; C417-L440 HydrophobicContact CB-CD2 4.35Å; C417-L440 HydrophobicContact CB-CG 4.49Å; C417-L440 WeakPolarHBondContact SG-CD2 3.46Å
418	R	82.9	Confident	75.4	Confident	135 Å²	135	66.5 Å²	66.5	51%	0.509	31%	0.308	S	S	.	.	H	α-helix	trans	-66.4	-36.5	-179.3	-72.6	175.4	179.5	-178.4	1.9	113	T414 L415 E436	T414-R418 WeakPolarHBondContact O-CB 3.31Å; T414-R418 VanDerWaalsContact O-CG 3.29Å; T414-R418 WeakPolarHBondContact O-CG 3.34Å; T414-R418 PolarHBondContact O-N 3.03Å; L415-R418 PolarHBondContact O-N 2.97Å; R418-E436 IonicContact NE-OE1 3.91Å
419	T	81.3	Confident	75.6	Confident	30 Å²	30	64.4 Å²	64.4	18%	0.184	30%	0.301	C	S	.	.	H	α-helix	trans	-70.7	-36.4	-179.6	51.5	0	0	0	0	112.3	F330 N338 L415 V416 C417	F330-T419 HydrophobicContact CE1-CG2 4.18Å; F330-T419 HydrophobicContact CZ-CG2 3.97Å; F330-T419 WeakPolarHBondContact CZ-OG1 3.47Å; N338-T419 PolarHBondContact ND2-O 2.98Å; N338-T419 PolarHBondContact OD1-O 3.49Å; N338-T419 VanDerWaalsContact OD1-O 3.07Å; L415-T419 HydrophobicContact CD1-CG2 4.08Å; L415-T419 HydrophobicContact CG-CG2 4.35Å; L415-T419 WeakPolarHBondContact O-CG2 3.46Å; L415-T419 PolarHBondContact O-N 2.96Å; L415-T419 PolarHBondContact O-OG1 3.28Å; L415-T419 VanDerWaalsContact O-OG1 3.05Å; V416-T419 WeakPolarHBondContact CA-OG1 3.48Å; V416-T419 PolarHBondContact O-N 2.85Å; V416-T419 PolarHBondContact O-OG1 3.26Å; C417-T419 PolarHBondContact O-N 3.44Å
420	F	82.9	Confident	76.2	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-98.7	-7	-178.2	-66.7	-66.9	0	0	0	114.2	F330 I333 A334 Y337 L391 F394 M395 V416 C417 R422 G423 L424	F330-F420 HydrophobicContact CD2-CE2 4.43Å; F330-F420 AromaticContact CE2-CE2 3.72Å; F330-F420 HydrophobicContact CE2-CE2 3.72Å; F330-F420 HydrophobicContact CE2-CZ 4.26Å; F330-F420 HydrophobicContact CZ-CE2 4.32Å; I333-F420 HydrophobicContact CG2-CE1 3.82Å; I333-F420 HydrophobicContact CG2-CZ 3.74Å; A334-F420 HydrophobicContact CB-CE1 4.49Å; A334-F420 HydrophobicContact CB-CZ 4.42Å; Y337-F420 HydrophobicContact CD2-CD1 4.39Å; Y337-F420 AromaticContact CD2-CE1 3.96Å; Y337-F420 HydrophobicContact CD2-CE1 3.96Å; Y337-F420 HydrophobicContact CG-CD1 4.35Å; Y337-F420 HydrophobicContact CG-CE1 4.32Å; L391-F420 HydrophobicContact CD1-CD1 4.04Å; L391-F420 HydrophobicContact CD1-CE1 4Å; L391-F420 HydrophobicContact CD1-CG 4.45Å; L391-F420 HydrophobicContact CD1-CZ 4.36Å; F394-F420 HydrophobicContact CE1-CE2 4.22Å; F394-F420 HydrophobicContact CE1-CZ 4.11Å; M395-F420 HydrophobicContact CE-CB 3.71Å; M395-F420 HydrophobicContact CE-CD2 4.07Å; M395-F420 HydrophobicContact CE-CG 4.27Å; M395-F420 HydrophobicContact CG-CD2 3.65Å; M395-F420 HydrophobicContact CG-CE2 4.09Å; M395-F420 HydrophobicContact CG-CG 4.24Å; M395-F420 HydrophobicContact SD-CB 3.66Å; M395-F420 HydrophobicContact SD-CD2 3.83Å; M395-F420 HydrophobicContact SD-CG 3.87Å; V416-F420 HydrophobicContact CG1-CD2 3.96Å; V416-F420 HydrophobicContact CG1-CE2 4.28Å; V416-F420 VanDerWaalsContact O-CD2 3.29Å; V416-F420 WeakPolarHBondContact O-CD2 3.15Å; V416-F420 PolarHBondContact O-N 2.93Å; V416-F420 VanDerWaalsContact O-N 3.13Å; C417-F420 PolarHBondContact O-N 3.05Å; F420-R422 VanDerWaalsContact C-N 3.26Å; F420-R422 PolarHBondContact O-N 2.86Å; F420-G423 PolarHBondContact O-N 2.8Å; F420-L424 HydrophobicContact CB-CD1 4.13Å; F420-L424 HydrophobicContact CB-CG 4.47Å; F420-L424 WeakPolarHBondContact O-CB 3.2Å; F420-L424 WeakPolarHBondContact O-CG 3.35Å; F420-L424 PolarHBondContact O-N 3.3Å
421	Q	83.1	Confident	76.7	Confident	23 Å²	23	57.7 Å²	57.7	11%	0.107	27%	0.272	C	S	.	.	H	α-helix	trans	-48.8	-48.8	176.8	-178.1	175.9	8.9	0	0	111.8	C417 L424 V425 R432 S435	C417-Q421 VanDerWaalsContact O-CB 3.28Å; C417-Q421 WeakPolarHBondContact O-CB 3.35Å; C417-Q421 PolarHBondContact O-N 3.07Å; Q421-L424 PolarHBondContact O-N 3.15Å; Q421-V425 CarbonylContact O-C 3.59Å; Q421-V425 PolarHBondContact O-N 3.39Å; Q421-V425 VanDerWaalsContact O-O 3.07Å; Q421-R432 PolarHBondContact NE2-O 3.01Å; Q421-R432 VanDerWaalsContact NE2-O 3.11Å; Q421-S435 PolarHBondContact NE2-OG 3.28Å
422	R	78	Confident	76.9	Confident	139 Å²	139	59.9 Å²	59.9	53%	0.525	27%	0.271	S	S	.	.	H	α-helix	trans	-72.6	-28.5	179.3	-174.6	178.4	178.9	179.4	1.7	113.1	F420 Q426	F420-R422 VanDerWaalsContact C-N 3.26Å; F420-R422 PolarHBondContact O-N 2.86Å; R422-Q426 HydrophobicContact CG-CG 4.04Å; R422-Q426 WeakPolarHBondContact O-CG 3.25Å; R422-Q426 PolarHBondContact O-NE2 2.93Å
423	G	71.1	Confident	77.1	Confident	3 Å²	3	65.7 Å²	65.7	3%	0.031	30%	0.297	C	S	.	.	H	α-helix	trans	-75.4	-30.5	174.9	0	0	0	0	0	112.9	Y337 A344 L345 F420	Y337-G423 WeakPolarHBondContact O-CA 3.43Å; A344-G423 WeakPolarHBondContact CA-O 3.43Å; L345-G423 PolarHBondContact N-O 2.88Å; F420-G423 PolarHBondContact O-N 2.8Å
424	L	74.6	Confident	77.2	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-88	-50.2	-177.3	-73.1	170.2	0	0	0	112.5	L345 I346 L388 L391 M395 F420 Q421 V439	L345-L424 HydrophobicContact CD1-CD2 4.07Å; I346-L424 WeakPolarHBondContact CB-O 3.4Å; I346-L424 PolarHBondContact N-O 3.33Å; L388-L424 HydrophobicContact CD1-CD2 3.32Å; L391-L424 HydrophobicContact CD2-CD2 3.71Å; L391-L424 HydrophobicContact CD2-CG 4.17Å; M395-L424 HydrophobicContact CE-CD1 3.81Å; M395-L424 HydrophobicContact SD-CD1 3.66Å; F420-L424 HydrophobicContact CB-CD1 4.13Å; F420-L424 HydrophobicContact CB-CG 4.47Å; F420-L424 WeakPolarHBondContact O-CB 3.2Å; F420-L424 WeakPolarHBondContact O-CG 3.35Å; F420-L424 PolarHBondContact O-N 3.3Å; Q421-L424 PolarHBondContact O-N 3.15Å; L424-V439 HydrophobicContact CB-CG2 4.25Å; L424-V439 HydrophobicContact CD1-CG1 3.74Å; L424-V439 HydrophobicContact CD1-CG2 4.03Å
425	V	74.4	Confident	77.3	Confident	10 Å²	10	62.1 Å²	62.1	6%	0.061	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-129.8	105.3	-171.7	-175.1	0	0	0	0	109.3	I346 Q421 L430 L438 V439	I346-V425 HydrophobicContact CB-CG2 4.4Å; I346-V425 HydrophobicContact CD1-CG2 3.87Å; Q421-V425 CarbonylContact O-C 3.59Å; Q421-V425 PolarHBondContact O-N 3.39Å; Q421-V425 VanDerWaalsContact O-O 3.07Å; V425-L430 HydrophobicContact CG1-CD1 3.86Å; V425-L438 HydrophobicContact CG2-CD2 4.2Å; V425-V439 HydrophobicContact CG2-CG2 4.06Å
426	Q	65.2	Low	77.4	Confident	85 Å²	85	62.9 Å²	62.9	40%	0.397	29%	0.286	S	S	.	.			trans	-114.6	86.8	167.4	-64.9	178.2	17.6	0	0	108.7	A344 R422	A344-Q426 HydrophobicContact CB-CB 3.73Å; A344-Q426 HydrophobicContact CB-CG 3.85Å; A344-Q426 VanDerWaalsContact CB-N 3.35Å; R422-Q426 HydrophobicContact CG-CG 4.04Å; R422-Q426 WeakPolarHBondContact O-CG 3.25Å; R422-Q426 PolarHBondContact O-NE2 2.93Å
427	N	65.4	Low	77.6	Confident	29 Å²	29	64.8 Å²	64.8	16%	0.155	30%	0.297	C	S	.	.			trans	-126.6	126.8	174.8	-67	-42.5	0	0	0	108.8	G348 L351 E429 L430	G348-N427 WeakPolarHBondContact CA-OD1 3.24Å; G348-N427 PolarHBondContact N-OD1 2.99Å; L351-N427 HydrophobicContact CD1-CB 4.03Å; N427-E429 PolarHBondContact O-N 3.11Å; N427-L430 HydrophobicContact CB-CB 4.49Å; N427-L430 HydrophobicContact CB-CD1 4.2Å; N427-L430 HydrophobicContact CB-CG 4.21Å
428	H	62.6	Low	77.8	Confident	206 Å²	206	64.9 Å²	64.9	95%	0.954	30%	0.298	S	S	*	.	S	Bend	trans	-69.3	-18.2	178.4	-71.2	-61.3	0	0	0	113.1
429	E	66.4	Low	78	Confident	156 Å²	156	58.4 Å²	58.4	73%	0.729	27%	0.273	S	S	*	.	S	Bend	trans	-93.5	-17.9	-175.5	-55.2	-152.1	166.9	0	0	114.1	L351 N427	L351-E429 HydrophobicContact CD2-CB 3.83Å; L351-E429 HydrophobicContact CD2-CG 4.02Å; L351-E429 WeakPolarHBondContact CD2-OE2 3.38Å; N427-E429 PolarHBondContact O-N 3.11Å
430	L	74.1	Confident	78.3	Confident	16 Å²	16	59 Å²	59	8%	0.084	28%	0.275	C	S	.	.	S	Bend	trans	-86.1	135.1	175.8	-66.2	176.8	0	0	0	110.3	L351 V355 L358 V425 N427	L351-L430 HydrophobicContact CD1-CD1 4.02Å; L351-L430 HydrophobicContact CD1-CD2 3.98Å; L351-L430 HydrophobicContact CD1-CG 3.68Å; V355-L430 HydrophobicContact CG2-CD2 3.7Å; L358-L430 HydrophobicContact CD1-CD2 4Å; V425-L430 HydrophobicContact CG1-CD1 3.86Å; N427-L430 HydrophobicContact CB-CB 4.49Å; N427-L430 HydrophobicContact CB-CD1 4.2Å; N427-L430 HydrophobicContact CB-CG 4.21Å
431	T	81.3	Confident	78.5	Confident	77 Å²	77	59.6 Å²	59.6	47%	0.472	28%	0.278	S	S	.	.			trans	-65.5	156.9	171.1	63.7	0	0	0	0	111	H433 Q434 S435	T431-H433 PolarHBondContact O-N 3.21Å; T431-Q434 PolarHBondContact O-N 2.76Å; T431-Q434 WeakPolarHBondContact OG1-CB 3.47Å; T431-Q434 VanDerWaalsContact OG1-CD 3.25Å; T431-Q434 WeakPolarHBondContact OG1-CG 3.46Å; T431-Q434 PolarHBondContact OG1-N 2.94Å; T431-Q434 PolarHBondContact OG1-OE1 2.96Å; T431-S435 PolarHBondContact O-N 3.08Å; T431-S435 PolarHBondContact O-OG 3.35Å
432	R	80.4	Confident	78.8	Confident	170 Å²	170	58.9 Å²	58.9	64%	0.642	28%	0.275	S	S	*	.	H	α-helix	trans	-57.3	-36.8	176.7	-172.5	178.9	179.6	176.6	0.9	112.3	Q421 S435 E436	Q421-R432 PolarHBondContact NE2-O 3.01Å; Q421-R432 VanDerWaalsContact NE2-O 3.11Å; R432-S435 WeakPolarHBondContact CA-OG 3.48Å; R432-S435 PolarHBondContact O-OG 3.31Å; R432-S435 VanDerWaalsContact O-OG 3.05Å; R432-E436 WeakPolarHBondContact O-CB 3.43Å; R432-E436 PolarHBondContact O-N 2.78Å; R432-E436 VanDerWaalsContact O-N 3.1Å
433	H	83.5	Confident	79.2	Confident	133 Å²	133	52.4 Å²	52.4	62%	0.616	25%	0.25	S	S	*	.	H	α-helix	trans	-67.6	-49	176.5	-176.5	-58.8	0	0	0	111.3	T431 S435 E436 T437	T431-H433 PolarHBondContact O-N 3.21Å; H433-S435 VanDerWaalsContact C-N 3.31Å; H433-S435 PolarHBondContact O-N 2.92Å; H433-E436 PolarHBondContact O-N 3.05Å; H433-E436 VanDerWaalsContact O-N 3.12Å; H433-T437 PolarHBondContact CE1-OG1 2.79Å; H433-T437 VanDerWaalsContact CE1-OG1 3.27Å; H433-T437 PolarHBondContact ND1-OG1 3.47Å; H433-T437 VanDerWaalsContact ND1-OG1 3.13Å; H433-T437 PolarHBondContact O-N 3.4Å; H433-T437 PolarHBondContact O-OG1 3.38Å
434	Q	84.1	Confident	80	Confident	55 Å²	55	56.1 Å²	56.1	26%	0.257	27%	0.269	S	S	.	.	H	α-helix	trans	-58.8	-42.4	179.5	-80.3	168.2	-30.7	0	0	112.5	L358 T431 T437 L438	L358-Q434 HydrophobicContact CD1-CB 3.74Å; L358-Q434 HydrophobicContact CD1-CG 4.11Å; L358-Q434 WeakPolarHBondContact CD2-O 3.49Å; T431-Q434 PolarHBondContact O-N 2.76Å; T431-Q434 WeakPolarHBondContact OG1-CB 3.47Å; T431-Q434 VanDerWaalsContact OG1-CD 3.25Å; T431-Q434 WeakPolarHBondContact OG1-CG 3.46Å; T431-Q434 PolarHBondContact OG1-N 2.94Å; T431-Q434 PolarHBondContact OG1-OE1 2.96Å; Q434-T437 PolarHBondContact O-N 3.28Å; Q434-L438 WeakPolarHBondContact O-CB 3.26Å; Q434-L438 PolarHBondContact O-N 3.25Å
435	S	83.2	Confident	80.5	Confident	10 Å²	10	58.4 Å²	58.4	7%	0.07	28%	0.28	C	S	.	.	H	α-helix	trans	-67.7	-35.8	175.8	47.3	0	0	0	0	112.7	Q421 T431 R432 H433 V439	Q421-S435 PolarHBondContact NE2-OG 3.28Å; T431-S435 PolarHBondContact O-N 3.08Å; T431-S435 PolarHBondContact O-OG 3.35Å; R432-S435 WeakPolarHBondContact CA-OG 3.48Å; R432-S435 PolarHBondContact O-OG 3.31Å; R432-S435 VanDerWaalsContact O-OG 3.05Å; H433-S435 VanDerWaalsContact C-N 3.31Å; H433-S435 PolarHBondContact O-N 2.92Å; S435-V439 VanDerWaalsContact O-CG2 3.25Å; S435-V439 WeakPolarHBondContact O-CG2 3.47Å; S435-V439 PolarHBondContact O-N 3.34Å
436	E	85.4	Confident	81	Confident	43 Å²	43	61.4 Å²	61.4	20%	0.201	29%	0.291	C	S	.	.	H	α-helix	trans	-65.8	-45.6	173	-174.2	167.6	-164.1	0	0	111.6	R418 R432 H433 L438 V439 L440	R418-E436 IonicContact NE-OE1 3.91Å; R432-E436 WeakPolarHBondContact O-CB 3.43Å; R432-E436 PolarHBondContact O-N 2.78Å; R432-E436 VanDerWaalsContact O-N 3.1Å; H433-E436 PolarHBondContact O-N 3.05Å; H433-E436 VanDerWaalsContact O-N 3.12Å; E436-L438 VanDerWaalsContact C-N 3.34Å; E436-L438 PolarHBondContact O-N 3.39Å; E436-V439 PolarHBondContact O-N 2.96Å; E436-L440 HydrophobicContact CG-CD1 4.03Å; E436-L440 WeakPolarHBondContact O-CB 3.41Å; E436-L440 WeakPolarHBondContact O-CG 3.28Å; E436-L440 PolarHBondContact O-N 3.44Å
437	T	86.8	Confident	81.9	Confident	40 Å²	40	60.2 Å²	60.2	25%	0.245	30%	0.295	C	S	.	.	H	α-helix	trans	-59.1	-44	174.9	-55.4	0	0	0	0	111.7	L358 H433 Q434 L440 F441	L358-T437 HydrophobicContact CD2-CG2 4.26Å; H433-T437 PolarHBondContact CE1-OG1 2.79Å; H433-T437 VanDerWaalsContact CE1-OG1 3.27Å; H433-T437 PolarHBondContact ND1-OG1 3.47Å; H433-T437 VanDerWaalsContact ND1-OG1 3.13Å; H433-T437 PolarHBondContact O-N 3.4Å; H433-T437 PolarHBondContact O-OG1 3.38Å; Q434-T437 PolarHBondContact O-N 3.28Å; T437-L440 PolarHBondContact O-N 2.62Å; T437-F441 WeakPolarHBondContact O-CB 3.47Å; T437-F441 PolarHBondContact O-N 3.32Å
438	L	86.6	Confident	82.7	Confident	2 Å²	2	63 Å²	63	1%	0.01	31%	0.307	C	S	.	.	H	α-helix	trans	-62.9	-46.6	177.8	-175.3	63.6	0	0	0	111.6	H354 I357 L358 V425 Q434 E436 F441 L442	H354-L438 HydrophobicContact CB-CD2 4.12Å; I357-L438 HydrophobicContact CG2-CD1 4.24Å; L358-L438 HydrophobicContact CD2-CB 4.12Å; V425-L438 HydrophobicContact CG2-CD2 4.2Å; Q434-L438 WeakPolarHBondContact O-CB 3.26Å; Q434-L438 PolarHBondContact O-N 3.25Å; E436-L438 VanDerWaalsContact C-N 3.34Å; E436-L438 PolarHBondContact O-N 3.39Å; L438-F441 PolarHBondContact O-N 3Å; L438-L442 HydrophobicContact CG-CD1 4.18Å; L438-L442 WeakPolarHBondContact O-CB 3.27Å; L438-L442 VanDerWaalsContact O-CG 3.25Å; L438-L442 WeakPolarHBondContact O-CG 3.28Å; L438-L442 PolarHBondContact O-N 2.92Å
439	V	87.6	Confident	83.8	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-65.4	-41.3	179.8	171.6	0	0	0	0	111.2	M395 C417 L424 V425 S435 E436 L442 M443	M395-V439 HydrophobicContact CE-CG1 3.78Å; C417-V439 HydrophobicContact CB-CG1 4.45Å; L424-V439 HydrophobicContact CB-CG2 4.25Å; L424-V439 HydrophobicContact CD1-CG1 3.74Å; L424-V439 HydrophobicContact CD1-CG2 4.03Å; V425-V439 HydrophobicContact CG2-CG2 4.06Å; S435-V439 VanDerWaalsContact O-CG2 3.25Å; S435-V439 WeakPolarHBondContact O-CG2 3.47Å; S435-V439 PolarHBondContact O-N 3.34Å; E436-V439 PolarHBondContact O-N 2.96Å; V439-L442 PolarHBondContact O-N 3.01Å; V439-M443 WeakPolarHBondContact O-CB 3.44Å; V439-M443 PolarHBondContact O-N 2.95Å
440	L	86.8	Confident	84.6	Confident	41 Å²	41	48.3 Å²	48.3	22%	0.215	24%	0.238	C	C	.	.	H	α-helix	trans	-60	-47.8	174.1	-77.4	165	0	0	0	111.4	R413 C417 E436 T437 L442 M443 D444	R413-L440 HydrophobicContact CG-CD2 4.25Å; C417-L440 HydrophobicContact CB-CD2 4.35Å; C417-L440 HydrophobicContact CB-CG 4.49Å; C417-L440 WeakPolarHBondContact SG-CD2 3.46Å; E436-L440 HydrophobicContact CG-CD1 4.03Å; E436-L440 WeakPolarHBondContact O-CB 3.41Å; E436-L440 WeakPolarHBondContact O-CG 3.28Å; E436-L440 PolarHBondContact O-N 3.44Å; T437-L440 PolarHBondContact O-N 2.62Å; L440-L442 PolarHBondContact O-N 2.85Å; L440-M443 HydrophobicContact CD2-CE 4.02Å; L440-M443 PolarHBondContact O-N 3.46Å; L440-D444 VanDerWaalsContact O-CG 3.28Å; L440-D444 PolarHBondContact O-N 3.03Å
441	F	88.6	Confident	85.1	Confident	14 Å²	14	53.6 Å²	53.6	6%	0.061	26%	0.261	C	S	.	.	H	α-helix	trans	-59.6	-44.5	176.7	170.6	-100	0	0	0	112.1	I357 L361 A369 I370 T437 L438 M443 D444 H445 L449	I357-F441 HydrophobicContact CG2-CE1 4.37Å; L361-F441 HydrophobicContact CD1-CB 3.96Å; L361-F441 HydrophobicContact CD1-CD1 4.05Å; L361-F441 HydrophobicContact CD1-CD2 3.98Å; L361-F441 HydrophobicContact CD1-CG 3.7Å; L361-F441 HydrophobicContact CD2-CD2 3.47Å; L361-F441 VanDerWaalsContact CD2-CD2 3.47Å; L361-F441 HydrophobicContact CD2-CE2 3.53Å; L361-F441 HydrophobicContact CD2-CG 4.1Å; L361-F441 HydrophobicContact CD2-CZ 4.17Å; L361-F441 HydrophobicContact CG-CD2 4.37Å; A369-F441 HydrophobicContact CB-CE2 4.33Å; A369-F441 HydrophobicContact CB-CZ 3.91Å; I370-F441 HydrophobicContact CG1-CE2 4.01Å; I370-F441 HydrophobicContact CG1-CZ 3.7Å; T437-F441 WeakPolarHBondContact O-CB 3.47Å; T437-F441 PolarHBondContact O-N 3.32Å; L438-F441 PolarHBondContact O-N 3Å; F441-M443 VanDerWaalsContact C-N 3.31Å; F441-M443 PolarHBondContact O-N 3.17Å; F441-D444 PolarHBondContact O-N 2.97Å; F441-H445 AromaticContact CD2-CD2 3.43Å; F441-H445 VanDerWaalsContact CD2-CD2 3.43Å; F441-H445 WeakPolarHBondContact CD2-CD2 3.18Å; F441-H445 AromaticContact CD2-NE2 3.93Å; F441-H445 AromaticContact CE2-CD2 3.29Å; F441-H445 WeakPolarHBondContact CE2-CD2 3.25Å; F441-H445 AromaticContact CE2-NE2 3.74Å; F441-H445 PolarHBondContact O-CD2 3Å; F441-H445 PolarHBondContact O-N 3.28Å; F441-H445 VanDerWaalsContact O-N 3.14Å; F441-L449 HydrophobicContact CE1-CD2 4.48Å
442	L	87.9	Confident	85	Confident	8 Å²	8	52.7 Å²	52.7	4%	0.042	26%	0.255	C	S	.	.	H	α-helix	trans	-63.7	-38.9	178	-70.9	172.5	0	0	0	112.2	I346 L392 L438 V439 L440 Y446 L449	I346-L442 HydrophobicContact CD1-CD1 3.58Å; L392-L442 HydrophobicContact CD1-CB 4.3Å; L392-L442 HydrophobicContact CD2-CB 4.04Å; L438-L442 HydrophobicContact CG-CD1 4.18Å; L438-L442 WeakPolarHBondContact O-CB 3.27Å; L438-L442 VanDerWaalsContact O-CG 3.25Å; L438-L442 WeakPolarHBondContact O-CG 3.28Å; L438-L442 PolarHBondContact O-N 2.92Å; V439-L442 PolarHBondContact O-N 3.01Å; L440-L442 PolarHBondContact O-N 2.85Å; L442-Y446 PolarHBondContact O-N 3.11Å; L442-L449 HydrophobicContact CB-CD1 4.23Å; L442-L449 HydrophobicContact CD2-CD1 3.62Å; L442-L449 HydrophobicContact CD2-CD2 4.3Å; L442-L449 VanDerWaalsContact O-CD1 3.23Å; L442-L449 WeakPolarHBondContact O-CD1 3.22Å
443	M	87.3	Confident	85.1	Confident	3 Å²	3	45.5 Å²	45.5	2%	0.015	23%	0.23	C	C	.	.	H	α-helix	trans	-69	-40.7	178.1	-174.1	178.8	68.2	0	0	111.9	M395 A396 A399 R413 V416 V439 L440 F441 Y446	M395-M443 HydrophobicContact CB-CG 4.25Å; M395-M443 HydrophobicContact CB-SD 4.09Å; M395-M443 HydrophobicContact CE-SD 4.38Å; A396-M443 HydrophobicContact CB-CG 4.24Å; A399-M443 HydrophobicContact CB-CE 4.05Å; A399-M443 HydrophobicContact CB-SD 3.86Å; R413-M443 HydrophobicContact CG-CE 3.82Å; V416-M443 HydrophobicContact CG1-SD 4.28Å; V439-M443 WeakPolarHBondContact O-CB 3.44Å; V439-M443 PolarHBondContact O-N 2.95Å; L440-M443 HydrophobicContact CD2-CE 4.02Å; L440-M443 PolarHBondContact O-N 3.46Å; F441-M443 VanDerWaalsContact C-N 3.31Å; F441-M443 PolarHBondContact O-N 3.17Å; M443-Y446 VanDerWaalsContact O-CD1 3.26Å; M443-Y446 WeakPolarHBondContact O-CD1 3.09Å
444	D	87.8	Confident	85.1	Confident	80 Å²	80	42.8 Å²	42.8	43%	0.428	23%	0.231	S	C	.	.	H	α-helix	trans	-68	-37.7	-179.9	-71.2	-21.8	0	0	0	112.6	R413 L440 F441	R413-D444 IonicContact CZ-OD1 3.97Å; R413-D444 IonicContact CZ-OD2 3.68Å; R413-D444 IonicContact NH1-OD1 3.89Å; R413-D444 PolarHBondContact NH1-OD1 3.15Å; R413-D444 IonicContact NH2-OD1 3.49Å; R413-D444 PolarHBondContact NH2-OD1 2.86Å; R413-D444 IonicContact NH2-OD2 2.69Å; R413-D444 PolarHBondContact NH2-OD2 2.82Å; L440-D444 VanDerWaalsContact O-CG 3.28Å; L440-D444 PolarHBondContact O-N 3.03Å; F441-D444 PolarHBondContact O-N 2.97Å
445	H	85.3	Confident	85	Confident	48 Å²	48	44.3 Å²	44.3	22%	0.222	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	17.5	-176.5	-64.3	-72.4	0	0	0	113.8	I370 F441 A447 E448 L449	I370-H445 HydrophobicContact CG1-CB 4.49Å; F441-H445 AromaticContact CD2-CD2 3.43Å; F441-H445 VanDerWaalsContact CD2-CD2 3.43Å; F441-H445 WeakPolarHBondContact CD2-CD2 3.18Å; F441-H445 AromaticContact CD2-NE2 3.93Å; F441-H445 AromaticContact CE2-CD2 3.29Å; F441-H445 WeakPolarHBondContact CE2-CD2 3.25Å; F441-H445 AromaticContact CE2-NE2 3.74Å; F441-H445 PolarHBondContact O-CD2 3Å; F441-H445 PolarHBondContact O-N 3.28Å; F441-H445 VanDerWaalsContact O-N 3.14Å; H445-A447 PolarHBondContact O-N 3.39Å; H445-E448 PolarHBondContact O-N 3.07Å; H445-L449 HydrophobicContact CB-CD1 4.24Å; H445-L449 HydrophobicContact CB-CG 4.11Å; H445-L449 VanDerWaalsContact O-CG 3.25Å; H445-L449 WeakPolarHBondContact O-CG 3.49Å; H445-L449 PolarHBondContact O-N 3.02Å
446	Y	83.8	Confident	84.9	Confident	74 Å²	74	43.9 Å²	43.9	29%	0.29	24%	0.241	S	C	.	.	H	α-helix	trans	-50.2	-37.1	-174.3	78.3	-78	0	0	0	114.1	T393 A396 L442 M443 F450	T393-Y446 HydrophobicContact CG2-CE2 4.2Å; A396-Y446 HydrophobicContact CB-CD1 3.64Å; A396-Y446 HydrophobicContact CB-CE1 3.65Å; A396-Y446 HydrophobicContact CB-CG 4.1Å; L442-Y446 PolarHBondContact O-N 3.11Å; M443-Y446 VanDerWaalsContact O-CD1 3.26Å; M443-Y446 WeakPolarHBondContact O-CD1 3.09Å; Y446-F450 WeakPolarHBondContact O-CD2 3.49Å
447	A	84.1	Confident	84.9	Confident	59 Å²	59	43.2 Å²	43.2	49%	0.488	24%	0.24	S	C	.	.	H	α-helix	trans	-72.9	-26.8	179.6	0	0	0	0	0	113.7	H445 K451	H445-A447 PolarHBondContact O-N 3.39Å; A447-K451 VanDerWaalsContact O-CE 3.28Å; A447-K451 WeakPolarHBondContact O-CE 3.32Å
448	E	83.8	Confident	84.8	Confident	89 Å²	89	44.4 Å²	44.4	42%	0.416	24%	0.243	S	C	.	.	H	α-helix	trans	-92.1	-31.1	-178.5	-68	-175.6	-136.5	0	0	112.3	I370 Q374 H445 F450 K451	I370-E448 HydrophobicContact CG2-CB 4.33Å; Q374-E448 PolarHBondContact NE2-O 3.09Å; H445-E448 PolarHBondContact O-N 3.07Å; E448-F450 VanDerWaalsContact C-N 3.31Å; E448-F450 PolarHBondContact O-N 3.08Å; E448-K451 WeakPolarHBondContact O-CB 3.3Å; E448-K451 PolarHBondContact O-N 3.49Å; E448-K451 VanDerWaalsContact O-N 3.12Å
449	L	84.1	Confident	84.6	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-62.6	-31.3	-173.2	-74.6	169.7	0	0	0	114.9	Q374 L377 F441 L442 H445	Q374-L449 WeakPolarHBondContact CG-O 3.46Å; L377-L449 HydrophobicContact CD1-CB 3.79Å; L377-L449 HydrophobicContact CD1-CD2 4.45Å; F441-L449 HydrophobicContact CE1-CD2 4.48Å; L442-L449 HydrophobicContact CB-CD1 4.23Å; L442-L449 HydrophobicContact CD2-CD1 3.62Å; L442-L449 HydrophobicContact CD2-CD2 4.3Å; L442-L449 VanDerWaalsContact O-CD1 3.23Å; L442-L449 WeakPolarHBondContact O-CD1 3.22Å; H445-L449 HydrophobicContact CB-CD1 4.24Å; H445-L449 HydrophobicContact CB-CG 4.11Å; H445-L449 VanDerWaalsContact O-CG 3.25Å; H445-L449 WeakPolarHBondContact O-CG 3.49Å; H445-L449 PolarHBondContact O-N 3.02Å
450	F	83.5	Confident	84.4	Confident	51 Å²	51	44.8 Å²	44.8	22%	0.224	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	0.5	179.8	-61.9	-81.8	0	0	0	113.4	L377 R385 L388 R389 L392 Y446 E448	L377-F450 HydrophobicContact CD1-CD1 4.5Å; L377-F450 HydrophobicContact CD1-CE1 4.12Å; L377-F450 HydrophobicContact CD1-CZ 4.2Å; R385-F450 HydrophobicContact CG-CD1 3.88Å; R385-F450 HydrophobicContact CG-CE1 3.78Å; R385-F450 WeakPolarHBondContact O-CE1 3.39Å; L388-F450 HydrophobicContact CB-CZ 4.38Å; L388-F450 HydrophobicContact CD2-CZ 4.25Å; L388-F450 HydrophobicContact CG-CZ 4.17Å; R389-F450 HydrophobicContact CB-CD1 4.1Å; R389-F450 HydrophobicContact CB-CD2 4.11Å; R389-F450 HydrophobicContact CB-CE1 3.74Å; R389-F450 HydrophobicContact CB-CE2 3.77Å; R389-F450 HydrophobicContact CB-CG 4.28Å; R389-F450 HydrophobicContact CB-CZ 3.57Å; R389-F450 HydrophobicContact CG-CD1 4.46Å; R389-F450 HydrophobicContact CG-CD2 3.9Å; R389-F450 HydrophobicContact CG-CE1 4.5Å; R389-F450 HydrophobicContact CG-CE2 3.96Å; R389-F450 HydrophobicContact CG-CG 4.17Å; R389-F450 HydrophobicContact CG-CZ 4.27Å; L392-F450 HydrophobicContact CD1-CE2 4.04Å; L392-F450 HydrophobicContact CD1-CZ 4.12Å; Y446-F450 WeakPolarHBondContact O-CD2 3.49Å; E448-F450 VanDerWaalsContact C-N 3.31Å; E448-F450 PolarHBondContact O-N 3.08Å
451	K	85	Confident	84.3	Confident	128 Å²	128	49.3 Å²	49.3	56%	0.557	26%	0.26	S	S	*	.	S	Bend	trans	-74.7	135.2	174	-65.5	179.2	-178.2	167.6	0	109.4	A447 E448 P453	A447-K451 VanDerWaalsContact O-CE 3.28Å; A447-K451 WeakPolarHBondContact O-CE 3.32Å; E448-K451 WeakPolarHBondContact O-CB 3.3Å; E448-K451 PolarHBondContact O-N 3.49Å; E448-K451 VanDerWaalsContact O-N 3.12Å; K451-P453 WeakPolarHBondContact O-CD 3.5Å
452	T	80.2	Confident	84.1	Confident	57 Å²	57	54.7 Å²	54.7	35%	0.35	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-79.1	127.1	174.7	-59.9	0	0	0	0	109.6	W224 R378 A454 L456	W224-T452 HydrophobicContact CH2-CG2 4.31Å; W224-T452 HydrophobicContact CZ3-CG2 4.06Å; R378-T452 PolarHBondContact NH2-OG1 3.03Å; T452-A454 PolarHBondContact O-N 3.43Å; T452-L456 HydrophobicContact CG2-CD2 4.28Å
453	P	82.5	Confident	83.7	Confident	19 Å²	19	55.3 Å²	55.3	12%	0.123	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-56.6	132.4	175	-24	32.8	0	0	0	111.9	Q374 L375 K451 T455 L456 T457	Q374-P453 HydrophobicContact CB-CG 4.2Å; L375-P453 HydrophobicContact CD2-CG 4.24Å; K451-P453 WeakPolarHBondContact O-CD 3.5Å; P453-T455 VanDerWaalsContact C-N 3.25Å; P453-T455 PolarHBondContact O-N 3.43Å; P453-L456 HydrophobicContact CB-CB 4.09Å; P453-L456 WeakPolarHBondContact O-CB 3.49Å; P453-L456 PolarHBondContact O-N 3.22Å; P453-T457 PolarHBondContact O-N 2.8Å; P453-T457 PolarHBondContact O-OG1 3.02Å
454	A	82.4	Confident	83.5	Confident	76 Å²	76	56.6 Å²	56.6	63%	0.628	29%	0.291	S	S	*	.	H	α-helix	trans	-62.9	-35.8	177.2	0	0	0	0	0	111.6	T452 L456 T457 E458	T452-A454 PolarHBondContact O-N 3.43Å; A454-L456 VanDerWaalsContact C-N 3.32Å; A454-L456 PolarHBondContact O-N 3.13Å; A454-T457 PolarHBondContact O-N 3.31Å; A454-E458 PolarHBondContact O-N 2.98Å
455	T	81.5	Confident	83.3	Confident	88 Å²	88	58.9 Å²	58.9	54%	0.54	29%	0.294	S	S	.	.	H	α-helix	trans	-58.6	-41.6	175.3	52.7	0	0	0	0	112.3	P453 A459	P453-T455 VanDerWaalsContact C-N 3.25Å; P453-T455 PolarHBondContact O-N 3.43Å; T455-A459 WeakPolarHBondContact O-CB 3.38Å; T455-A459 PolarHBondContact O-N 3.15Å
456	L	82.3	Confident	83	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-64.8	-47.4	175.2	179.7	63	0	0	0	110.9	W224 Q227 L375 T452 P453 A454 E458 A459 V460	W224-L456 HydrophobicContact CE3-CD2 4.02Å; W224-L456 HydrophobicContact CE3-CG 4.1Å; W224-L456 HydrophobicContact CZ3-CD2 3.74Å; W224-L456 HydrophobicContact CZ3-CG 3.7Å; Q227-L456 HydrophobicContact CB-CD1 3.94Å; Q227-L456 HydrophobicContact CG-CD1 3.62Å; L375-L456 HydrophobicContact CD2-CD2 3.9Å; T452-L456 HydrophobicContact CG2-CD2 4.28Å; P453-L456 HydrophobicContact CB-CB 4.09Å; P453-L456 WeakPolarHBondContact O-CB 3.49Å; P453-L456 PolarHBondContact O-N 3.22Å; A454-L456 VanDerWaalsContact C-N 3.32Å; A454-L456 PolarHBondContact O-N 3.13Å; L456-E458 VanDerWaalsContact C-N 3.33Å; L456-E458 PolarHBondContact O-N 3.05Å; L456-A459 PolarHBondContact O-N 3.43Å; L456-V460 HydrophobicContact CD1-CG2 4.26Å; L456-V460 WeakPolarHBondContact O-CG2 3.29Å; L456-V460 PolarHBondContact O-N 3.11Å
457	T	84.8	Confident	82.9	Confident	29 Å²	29	55.9 Å²	55.9	18%	0.178	29%	0.285	C	S	.	.	H	α-helix	trans	-61	-43.3	-179.2	-53.6	0	0	0	0	111.4	W224 P453 A454 R461	W224-T457 HydrophobicContact CH2-CG2 4.3Å; P453-T457 PolarHBondContact O-N 2.8Å; P453-T457 PolarHBondContact O-OG1 3.02Å; A454-T457 PolarHBondContact O-N 3.31Å; T457-R461 WeakPolarHBondContact O-CB 3.48Å; T457-R461 WeakPolarHBondContact O-CG 3.35Å; T457-R461 PolarHBondContact O-N 2.94Å
458	E	84.9	Confident	82.7	Confident	65 Å²	65	57.1 Å²	57.1	30%	0.304	28%	0.281	S	S	.	.	H	α-helix	trans	-67.2	-40	176.4	-72.8	-53	121.3	0	0	112.7	A454 L456 R461 R462	A454-E458 PolarHBondContact O-N 2.98Å; L456-E458 VanDerWaalsContact C-N 3.33Å; L456-E458 PolarHBondContact O-N 3.05Å; E458-R461 PolarHBondContact O-N 3.43Å; E458-R461 WeakPolarHBondContact OE1-CD 3.16Å; E458-R461 IonicContact OE1-CZ 3.56Å; E458-R461 IonicContact OE1-NE 2.81Å; E458-R461 IonicContact OE1-NH1 3.58Å; E458-R461 PolarHBondContact OE1-NH1 3.46Å; E458-R462 WeakPolarHBondContact O-CG 3.39Å; E458-R462 PolarHBondContact O-N 3Å
459	A	81.9	Confident	82.4	Confident	9 Å²	9	58.8 Å²	58.8	7%	0.074	29%	0.288	C	S	.	.	H	α-helix	trans	-62	-48.1	175.4	0	0	0	0	0	111.5	Q227 T455 L456 R461 R462 T463	Q227-A459 HydrophobicContact CG-CB 3.65Å; T455-A459 WeakPolarHBondContact O-CB 3.38Å; T455-A459 PolarHBondContact O-N 3.15Å; L456-A459 PolarHBondContact O-N 3.43Å; A459-R461 PolarHBondContact O-N 3.1Å; A459-R462 WeakPolarHBondContact O-CB 3.41Å; A459-R462 PolarHBondContact O-N 3.24Å; A459-R462 VanDerWaalsContact O-N 3.1Å; A459-T463 PolarHBondContact O-N 3.12Å; A459-T463 PolarHBondContact O-OG1 3.36Å; A459-T463 VanDerWaalsContact O-OG1 3.1Å
460	V	84.5	Confident	81.7	Confident	1 Å²	1	62.2 Å²	62.2	1%	0.006	32%	0.323	C	S	.	.	H	α-helix	trans	-61.1	-43.5	175.8	172.4	0	0	0	0	111.3	V223 W224 Q227 L456 R462 T463 L464	V223-V460 HydrophobicContact CG1-CG1 4.04Å; W224-V460 HydrophobicContact CD2-CB 4.33Å; W224-V460 HydrophobicContact CD2-CG1 3.95Å; W224-V460 HydrophobicContact CD2-CG2 3.84Å; W224-V460 HydrophobicContact CE3-CB 4.49Å; W224-V460 HydrophobicContact CE3-CG2 3.75Å; W224-V460 HydrophobicContact CG-CG1 4.22Å; W224-V460 HydrophobicContact CG-CG2 4.36Å; W224-V460 HydrophobicContact CH2-CB 4.44Å; W224-V460 HydrophobicContact CH2-CG2 4.44Å; W224-V460 HydrophobicContact CZ2-CB 4.27Å; W224-V460 HydrophobicContact CZ2-CG1 3.98Å; W224-V460 HydrophobicContact CZ3-CG2 4.08Å; Q227-V460 HydrophobicContact CB-CG2 3.75Å; Q227-V460 HydrophobicContact CG-CG2 3.9Å; L456-V460 HydrophobicContact CD1-CG2 4.26Å; L456-V460 WeakPolarHBondContact O-CG2 3.29Å; L456-V460 PolarHBondContact O-N 3.11Å; V460-R462 VanDerWaalsContact C-N 3.26Å; V460-R462 PolarHBondContact O-N 2.82Å; V460-T463 PolarHBondContact O-N 3.28Å; V460-L464 HydrophobicContact CG1-CD1 3.62Å; V460-L464 HydrophobicContact CG1-CG 3.97Å; V460-L464 WeakPolarHBondContact O-CB 3.33Å; V460-L464 VanDerWaalsContact O-CG 3.25Å; V460-L464 WeakPolarHBondContact O-CG 3.05Å; V460-L464 PolarHBondContact O-N 3.27Å
461	R	84.6	Confident	80.9	Confident	137 Å²	137	65.1 Å²	65.1	52%	0.517	34%	0.336	S	S	.	.	H	α-helix	trans	-59.9	-34.6	175.1	-77.4	171.4	178	172.2	-1.3	112.7	T457 E458 A459 R465	T457-R461 WeakPolarHBondContact O-CB 3.48Å; T457-R461 WeakPolarHBondContact O-CG 3.35Å; T457-R461 PolarHBondContact O-N 2.94Å; E458-R461 PolarHBondContact O-N 3.43Å; E458-R461 WeakPolarHBondContact OE1-CD 3.16Å; E458-R461 IonicContact OE1-CZ 3.56Å; E458-R461 IonicContact OE1-NE 2.81Å; E458-R461 IonicContact OE1-NH1 3.58Å; E458-R461 PolarHBondContact OE1-NH1 3.46Å; A459-R461 PolarHBondContact O-N 3.1Å; R461-R465 WeakPolarHBondContact O-CB 3.43Å; R461-R465 VanDerWaalsContact O-CG 3.28Å; R461-R465 WeakPolarHBondContact O-CG 3.49Å; R461-R465 PolarHBondContact O-N 3.34Å; R461-R465 PolarHBondContact O-NE 3.45Å
462	R	83.1	Confident	79.8	Confident	127 Å²	127	63.4 Å²	63.4	48%	0.479	33%	0.333	S	S	.	.	H	α-helix	trans	-69	-51	174.5	-71.6	-178.5	-149.4	109.8	0.6	110.6	E458 A459 V460 L464 R465 T466	E458-R462 WeakPolarHBondContact O-CG 3.39Å; E458-R462 PolarHBondContact O-N 3Å; A459-R462 WeakPolarHBondContact O-CB 3.41Å; A459-R462 PolarHBondContact O-N 3.24Å; A459-R462 VanDerWaalsContact O-N 3.1Å; V460-R462 VanDerWaalsContact C-N 3.26Å; V460-R462 PolarHBondContact O-N 2.82Å; R462-L464 PolarHBondContact O-N 3.37Å; R462-R465 WeakPolarHBondContact O-CB 3.49Å; R462-R465 PolarHBondContact O-N 2.96Å; R462-T466 WeakPolarHBondContact O-CG2 3.17Å; R462-T466 PolarHBondContact O-N 2.92Å; R462-T466 PolarHBondContact O-OG1 3.37Å
463	T	80.5	Confident	78.8	Confident	20 Å²	20	63.6 Å²	63.6	12%	0.123	34%	0.335	C	S	.	.	H	α-helix	trans	-61.9	-40.2	-179.5	-49.1	0	0	0	0	112.5	V223 A459 V460 T466 L467	V223-T463 HydrophobicContact CG1-CG2 3.91Å; A459-T463 PolarHBondContact O-N 3.12Å; A459-T463 PolarHBondContact O-OG1 3.36Å; A459-T463 VanDerWaalsContact O-OG1 3.1Å; V460-T463 PolarHBondContact O-N 3.28Å; T463-T466 WeakPolarHBondContact CA-OG1 3.47Å; T463-T466 PolarHBondContact O-N 2.89Å; T463-T466 PolarHBondContact O-OG1 3.34Å; T463-L467 HydrophobicContact CG2-CD1 4.28Å; T463-L467 WeakPolarHBondContact O-CB 3.28Å; T463-L467 VanDerWaalsContact O-CG 3.27Å; T463-L467 WeakPolarHBondContact O-CG 3.49Å; T463-L467 PolarHBondContact O-N 3.25Å
464	L	83.6	Confident	77.6	Confident	30 Å²	30	68.8 Å²	68.8	16%	0.157	36%	0.362	C	S	.	.	H	α-helix	trans	-65.7	-41.2	175.8	-67.9	174.7	0	0	0	111.8	L215 V220 V223 V460 R462 T466 L467 Q468	L215-L464 HydrophobicContact CD1-CB 4.26Å; L215-L464 HydrophobicContact CD1-CD2 3.53Å; L215-L464 HydrophobicContact CD1-CG 4.48Å; V220-L464 HydrophobicContact CG1-CD1 4.47Å; V220-L464 HydrophobicContact CG2-CD2 4.17Å; V223-L464 HydrophobicContact CB-CD2 4.12Å; V223-L464 HydrophobicContact CG1-CD2 4.08Å; V223-L464 HydrophobicContact CG1-CG 4.25Å; V223-L464 HydrophobicContact CG2-CD2 4.09Å; V460-L464 HydrophobicContact CG1-CD1 3.62Å; V460-L464 HydrophobicContact CG1-CG 3.97Å; V460-L464 WeakPolarHBondContact O-CB 3.33Å; V460-L464 VanDerWaalsContact O-CG 3.25Å; V460-L464 WeakPolarHBondContact O-CG 3.05Å; V460-L464 PolarHBondContact O-N 3.27Å; R462-L464 PolarHBondContact O-N 3.37Å; L464-T466 VanDerWaalsContact C-N 3.29Å; L464-T466 PolarHBondContact O-N 3.2Å; L464-L467 PolarHBondContact O-N 3.11Å; L464-Q468 WeakPolarHBondContact O-CB 3.29Å; L464-Q468 VanDerWaalsContact O-CG 3.26Å; L464-Q468 WeakPolarHBondContact O-CG 3.39Å; L464-Q468 PolarHBondContact O-N 3.41Å
465	R	84.1	Confident	76.3	Confident	128 Å²	128	68.5 Å²	68.5	48%	0.483	36%	0.355	S	S	.	.	H	α-helix	trans	-61.4	-38	176	-83.7	-177	-73.5	173.7	-8	112	R461 R462 Q468 Q469	R461-R465 WeakPolarHBondContact O-CB 3.43Å; R461-R465 VanDerWaalsContact O-CG 3.28Å; R461-R465 WeakPolarHBondContact O-CG 3.49Å; R461-R465 PolarHBondContact O-N 3.34Å; R461-R465 PolarHBondContact O-NE 3.45Å; R462-R465 WeakPolarHBondContact O-CB 3.49Å; R462-R465 PolarHBondContact O-N 2.96Å; R465-Q468 PolarHBondContact O-N 3.03Å; R465-Q469 VanDerWaalsContact O-CG 3.28Å; R465-Q469 WeakPolarHBondContact O-CG 3.43Å; R465-Q469 PolarHBondContact O-N 3.17Å
466	T	78.3	Confident	74.9	Confident	20 Å²	20	65.6 Å²	65.6	12%	0.123	34%	0.337	C	S	.	.	H	α-helix	trans	-77.6	-35.1	-179.2	54.1	0	0	0	0	112.7	R462 T463 L464 Q468 Q469 G470 K471 V476	R462-T466 WeakPolarHBondContact O-CG2 3.17Å; R462-T466 PolarHBondContact O-N 2.92Å; R462-T466 PolarHBondContact O-OG1 3.37Å; T463-T466 WeakPolarHBondContact CA-OG1 3.47Å; T463-T466 PolarHBondContact O-N 2.89Å; T463-T466 PolarHBondContact O-OG1 3.34Å; L464-T466 VanDerWaalsContact C-N 3.29Å; L464-T466 PolarHBondContact O-N 3.2Å; T466-Q468 VanDerWaalsContact C-N 3.3Å; T466-Q468 PolarHBondContact O-N 3.2Å; T466-Q469 CarbonylContact O-C 3.54Å; T466-Q469 WeakPolarHBondContact O-CA 3.41Å; T466-Q469 WeakPolarHBondContact O-CB 3.4Å; T466-Q469 PolarHBondContact O-N 3.32Å; T466-Q469 VanDerWaalsContact O-N 3.08Å; T466-G470 PolarHBondContact O-N 2.96Å; T466-K471 PolarHBondContact O-N 3.31Å; T466-V476 VanDerWaalsContact CB-CG2 3.48Å; T466-V476 HydrophobicContact CG2-CB 4.29Å; T466-V476 HydrophobicContact CG2-CG1 3.85Å; T466-V476 HydrophobicContact CG2-CG2 3.5Å; T466-V476 WeakPolarHBondContact OG1-CG2 3.42Å
467	L	80.8	Confident	73.4	Confident	40 Å²	40	67.6 Å²	67.6	21%	0.209	35%	0.354	C	S	.	.	H	α-helix	trans	-61.7	-40	169.6	-73.9	171.7	0	0	0	111.3	L215 V219 V223 T463 L464 Q469 G470 P473	L215-L467 HydrophobicContact CD1-CB 4.13Å; L215-L467 HydrophobicContact CD2-CB 4.42Å; V219-L467 HydrophobicContact CG1-CD1 4.47Å; V223-L467 HydrophobicContact CG2-CD1 3.56Å; T463-L467 HydrophobicContact CG2-CD1 4.28Å; T463-L467 WeakPolarHBondContact O-CB 3.28Å; T463-L467 VanDerWaalsContact O-CG 3.27Å; T463-L467 WeakPolarHBondContact O-CG 3.49Å; T463-L467 PolarHBondContact O-N 3.25Å; L464-L467 PolarHBondContact O-N 3.11Å; L467-Q469 PolarHBondContact O-N 3.41Å; L467-G470 PolarHBondContact O-N 3.39Å; L467-P473 HydrophobicContact CD2-CB 4.17Å; L467-P473 HydrophobicContact CD2-CG 4.45Å
468	Q	80.1	Confident	71.6	Confident	85 Å²	85	70.8 Å²	70.8	40%	0.397	38%	0.378	S	S	.	.	H	α-helix	trans	-63.7	-25.8	173.1	-74.6	175.3	-26.4	0	0	113.3	C213 L215 L464 R465 T466 G470	C213-Q468 HydrophobicContact CB-CG 4.5Å; C213-Q468 PolarHBondContact O-NE2 2.72Å; L215-Q468 HydrophobicContact CD1-CG 4.07Å; L215-Q468 HydrophobicContact CG-CG 4.11Å; L464-Q468 WeakPolarHBondContact O-CB 3.29Å; L464-Q468 VanDerWaalsContact O-CG 3.26Å; L464-Q468 WeakPolarHBondContact O-CG 3.39Å; L464-Q468 PolarHBondContact O-N 3.41Å; R465-Q468 PolarHBondContact O-N 3.03Å; T466-Q468 VanDerWaalsContact C-N 3.3Å; T466-Q468 PolarHBondContact O-N 3.2Å; Q468-G470 VanDerWaalsContact C-N 3.28Å
469	Q	78.9	Confident	69.9	Low	124 Å²	124	70.5 Å²	70.5	58%	0.579	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	2.2	174.7	-69.1	169.3	10.7	0	0	113	R465 T466 L467 K471	R465-Q469 VanDerWaalsContact O-CG 3.28Å; R465-Q469 WeakPolarHBondContact O-CG 3.43Å; R465-Q469 PolarHBondContact O-N 3.17Å; T466-Q469 CarbonylContact O-C 3.54Å; T466-Q469 WeakPolarHBondContact O-CA 3.41Å; T466-Q469 WeakPolarHBondContact O-CB 3.4Å; T466-Q469 PolarHBondContact O-N 3.32Å; T466-Q469 VanDerWaalsContact O-N 3.08Å; L467-Q469 PolarHBondContact O-N 3.41Å; Q469-K471 VanDerWaalsContact C-N 3.26Å; Q469-K471 PolarHBondContact O-N 2.86Å
470	G	67.9	Low	68.7	Low	72 Å²	72	75.2 Å²	75.2	74%	0.742	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.2	17.1	179.7	0	0	0	0	0	114.5	T466 L467 Q468	T466-G470 PolarHBondContact O-N 2.96Å; L467-G470 PolarHBondContact O-N 3.39Å; Q468-G470 VanDerWaalsContact C-N 3.28Å
471	K	68.1	Low	67.3	Low	112 Å²	112	79.5 Å²	79.5	49%	0.487	43%	0.432	S	S	.	.			trans	-82.8	144.8	174.4	-67	179.5	179.5	172.7	0	110	T466 Q469	T466-K471 PolarHBondContact O-N 3.31Å; Q469-K471 VanDerWaalsContact C-N 3.26Å; Q469-K471 PolarHBondContact O-N 2.86Å
472	D	61.7	Low	65.9	Low	93 Å²	93	82.8 Å²	82.8	50%	0.497	45%	0.45	S	S	.	.			trans	-56.1	130.6	177.8	-166.2	-24.5	0	0	0	110.3	D474 S475	D472-D474 PolarHBondContact O-N 3.2Å; D472-D474 VanDerWaalsContact O-N 3.12Å; D472-D474 PolarHBondContact OD1-N 3.48Å; D472-D474 VanDerWaalsContact OD1-N 3.15Å; D472-S475 WeakPolarHBondContact O-CB 3.45Å; D472-S475 PolarHBondContact O-N 3.25Å; D472-S475 PolarHBondContact O-OG 3.32Å
473	P	59.1	Low	64.7	Low	61 Å²	61	81.7 Å²	81.7	40%	0.396	46%	0.46	S	S	.	.	G	3₁₀ helix	trans	-49	-32.3	173.1	18.1	-33.1	0	0	0	113.6	L467 S475 V476 A477	L467-P473 HydrophobicContact CD2-CB 4.17Å; L467-P473 HydrophobicContact CD2-CG 4.45Å; P473-S475 VanDerWaalsContact C-N 3.29Å; P473-S475 PolarHBondContact O-N 3.49Å; P473-V476 PolarHBondContact O-N 3.22Å; P473-A477 PolarHBondContact O-N 3.42Å
474	D	56.5	Low	63.8	Low	127 Å²	127	88.3 Å²	88.3	68%	0.679	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-71.2	-23.8	-179	-70.5	-10.6	0	0	0	112.8	D472 V476	D472-D474 PolarHBondContact O-N 3.2Å; D472-D474 VanDerWaalsContact O-N 3.12Å; D472-D474 PolarHBondContact OD1-N 3.48Å; D472-D474 VanDerWaalsContact OD1-N 3.15Å; D474-V476 VanDerWaalsContact C-N 3.25Å; D474-V476 PolarHBondContact O-N 3.16Å
475	S	54.9	Low	63.2	Low	70 Å²	70	98.1 Å²	98.1	49%	0.49	53%	0.525	S	S	.	.	G	3₁₀ helix	trans	-73.5	-16.7	178.8	71.3	0	0	0	0	113.5	D472 P473	D472-S475 WeakPolarHBondContact O-CB 3.45Å; D472-S475 PolarHBondContact O-N 3.25Å; D472-S475 PolarHBondContact O-OG 3.32Å; P473-S475 VanDerWaalsContact C-N 3.29Å; P473-S475 PolarHBondContact O-N 3.49Å
476	V	51.8	Low	62.9	Low	27 Å²	27	94.9 Å²	94.9	16%	0.164	52%	0.519	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-9.9	-171.2	-179.8	0	0	0	0	112.5	T466 P473 D474 S478	T466-V476 VanDerWaalsContact CB-CG2 3.48Å; T466-V476 HydrophobicContact CG2-CB 4.29Å; T466-V476 HydrophobicContact CG2-CG1 3.85Å; T466-V476 HydrophobicContact CG2-CG2 3.5Å; T466-V476 WeakPolarHBondContact OG1-CG2 3.42Å; P473-V476 PolarHBondContact O-N 3.22Å; D474-V476 VanDerWaalsContact C-N 3.25Å; D474-V476 PolarHBondContact O-N 3.16Å; V476-S478 PolarHBondContact O-N 2.91Å; V476-S478 PolarHBondContact O-OG 3.25Å
477	A	51.2	Low	63.3	Low	43 Å²	43	97.4 Å²	97.4	36%	0.355	54%	0.535	S	S	.	.	G	3₁₀ helix	trans	-59.7	9.7	162	0	0	0	0	0	113.8	P473 A479 F480	P473-A477 PolarHBondContact O-N 3.42Å; A477-A479 PolarHBondContact O-N 2.97Å; A477-F480 CarbonylContact O-C 3.51Å; A477-F480 PolarHBondContact O-N 3.07Å; A477-F480 VanDerWaalsContact O-N 3.1Å
478	S	47.8	Very low	63.6	Low	96 Å²	96	101.7 Å²	101.7	67%	0.671	56%	0.558	S	S	*	*	G	3₁₀ helix	trans	-51.3	-9	170.6	64.2	0	0	0	0	117.1	V476	V476-S478 PolarHBondContact O-N 2.91Å; V476-S478 PolarHBondContact O-OG 3.25Å
479	A	49	Very low	64	Low	58 Å²	58	104.2 Å²	104.2	48%	0.479	57%	0.569	S	S	.	*	G	3₁₀ helix	trans	-71.9	-38.4	171.3	0	0	0	0	0	111.1	A477	A477-A479 PolarHBondContact O-N 2.97Å
480	F	56.8	Low	64.5	Low	108 Å²	108	102.6 Å²	102.6	47%	0.474	56%	0.562	S	S	.	*			trans	-152.2	95.2	-176	-57.3	-75.5	0	0	0	110.2	A477	A477-F480 CarbonylContact O-C 3.51Å; A477-F480 PolarHBondContact O-N 3.07Å; A477-F480 VanDerWaalsContact O-N 3.1Å
481	T	54.2	Low	65.5	Low	92 Å²	92	105.4 Å²	105.4	56%	0.564	55%	0.551	S	S	*	*			trans	-92	104.3	175.1	-49.9	0	0	0	0	108.9	C483 Q484	T481-C483 WeakPolarHBondContact CG2-O 3.38Å; T481-Q484 HydrophobicContact CG2-CB 4.21Å
482	F	56	Low	66.6	Low	206 Å²	206	104.1 Å²	104.1	90%	0.904	55%	0.546	S	S	*	.	S	Bend	trans	-77.8	-41	177.4	-175.3	-99.7	0	0	0	111.9
483	C	57	Low	68	Low	103 Å²	103	104.1 Å²	104.1	70%	0.696	55%	0.547	S	S	*	.	S	Bend	trans	-124.1	117.9	172.3	-65.7	0	0	0	0	108.9	T481	T481-C483 WeakPolarHBondContact CG2-O 3.38Å
484	Q	62.9	Low	69.5	Low	160 Å²	160	106.2 Å²	106.2	75%	0.748	55%	0.551	S	S	*	*			trans	-82.5	129.6	171.3	-172.3	172.2	-0.3	0	0	108.8	T481 V486	T481-Q484 HydrophobicContact CG2-CB 4.21Å; Q484-V486 PolarHBondContact O-N 2.9Å; Q484-V486 VanDerWaalsContact O-N 3.09Å
485	R	69.1	Low	71	Confident	235 Å²	235	105.5 Å²	105.5	89%	0.887	54%	0.539	S	S	*	.			trans	-68.5	110.9	173.6	-172.1	175	-178.1	175.8	0.3	108.5
486	V	79.1	Confident	72.6	Confident	60 Å²	60	105.8 Å²	105.8	36%	0.364	54%	0.535	S	S	.	.			trans	-73.8	138.1	173.9	-176.2	0	0	0	0	108.3	Q484 E490	Q484-V486 PolarHBondContact O-N 2.9Å; Q484-V486 VanDerWaalsContact O-N 3.09Å; V486-E490 HydrophobicContact CG1-CB 3.29Å; V486-E490 HydrophobicContact CG1-CG 4.44Å
487	T	86.8	Confident	74.3	Confident	74 Å²	74	107 Å²	107	45%	0.454	55%	0.548	S	S	.	.			trans	-67.3	158.4	174.4	61.1	0	0	0	0	110.5	Q489 E490 Y491	T487-Q489 PolarHBondContact O-N 3.11Å; T487-E490 PolarHBondContact N-OE2 3.24Å; T487-E490 PolarHBondContact O-N 3.49Å; T487-E490 WeakPolarHBondContact OG1-CB 3.4Å; T487-E490 WeakPolarHBondContact OG1-CG 3.31Å; T487-E490 PolarHBondContact OG1-N 3.38Å; T487-E490 PolarHBondContact OG1-OE2 2.93Å; T487-Y491 PolarHBondContact O-N 2.97Å
488	L	86.9	Confident	76.2	Confident	130 Å²	130	109.2 Å²	109.2	68%	0.681	56%	0.557	S	S	*	*	H	α-helix	trans	-56.7	-39.7	178.1	-178.5	65.6	0	0	0	111.3	Y491 E492	L488-Y491 PolarHBondContact O-N 3.04Å; L488-E492 WeakPolarHBondContact O-CG 3.43Å; L488-E492 PolarHBondContact O-N 2.97Å
489	Q	88.9	Confident	78.2	Confident	137 Å²	137	108 Å²	108	64%	0.64	55%	0.545	S	S	*	.	H	α-helix	trans	-66.4	-48.7	179.2	-173.1	177.4	-8.3	0	0	111.8	T487 Y491 E492 D493	T487-Q489 PolarHBondContact O-N 3.11Å; Q489-Y491 PolarHBondContact O-N 3.46Å; Q489-E492 PolarHBondContact O-N 2.95Å; Q489-E492 VanDerWaalsContact O-N 3.16Å; Q489-D493 VanDerWaalsContact O-CG 3.31Å; Q489-D493 PolarHBondContact O-N 3.03Å
490	E	88.9	Confident	80	Confident	91 Å²	91	108.5 Å²	108.5	43%	0.425	54%	0.54	S	S	.	.	H	α-helix	trans	-61.4	-33.4	176.3	-73	163.4	161.3	0	0	112.1	V486 T487 Q494	V486-E490 HydrophobicContact CG1-CB 3.29Å; V486-E490 HydrophobicContact CG1-CG 4.44Å; T487-E490 PolarHBondContact N-OE2 3.24Å; T487-E490 PolarHBondContact O-N 3.49Å; T487-E490 WeakPolarHBondContact OG1-CB 3.4Å; T487-E490 WeakPolarHBondContact OG1-CG 3.31Å; T487-E490 PolarHBondContact OG1-N 3.38Å; T487-E490 PolarHBondContact OG1-OE2 2.93Å; E490-Q494 VanDerWaalsContact O-CB 3.27Å; E490-Q494 WeakPolarHBondContact O-CB 3.41Å; E490-Q494 WeakPolarHBondContact O-CG 2.99Å; E490-Q494 PolarHBondContact O-N 3.14Å
491	Y	88.1	Confident	81.5	Confident	131 Å²	131	109 Å²	109	51%	0.514	54%	0.544	S	S	.	.	H	α-helix	trans	-66.9	-44.6	174.6	170.9	-96.2	0	0	0	111.8	T487 L488 Q489 Q494 R495	T487-Y491 PolarHBondContact O-N 2.97Å; L488-Y491 PolarHBondContact O-N 3.04Å; Q489-Y491 PolarHBondContact O-N 3.46Å; Y491-Q494 PolarHBondContact O-N 3.18Å; Y491-R495 VanDerWaalsContact O-CB 3.3Å; Y491-R495 WeakPolarHBondContact O-CB 3.47Å; Y491-R495 PolarHBondContact O-N 3.37Å
492	E	91.7	Very high	83.1	Confident	84 Å²	84	107.8 Å²	107.8	39%	0.393	54%	0.539	S	S	.	.	H	α-helix	trans	-62.5	-43.8	175.9	-72.4	-178.7	160.9	0	0	111.1	L488 Q489 R495 D496	L488-E492 WeakPolarHBondContact O-CG 3.43Å; L488-E492 PolarHBondContact O-N 2.97Å; Q489-E492 PolarHBondContact O-N 2.95Å; Q489-E492 VanDerWaalsContact O-N 3.16Å; E492-R495 PolarHBondContact O-N 3.46Å; E492-D496 WeakPolarHBondContact O-CB 3.39Å; E492-D496 VanDerWaalsContact O-CG 3.29Å; E492-D496 PolarHBondContact O-N 2.94Å
493	D	91.7	Very high	84.5	Confident	94 Å²	94	99.2 Å²	99.2	50%	0.503	50%	0.502	S	S	.	.	H	α-helix	trans	-62.4	-45	176	-68.8	-26.5	0	0	0	111.6	Q489 D496 A497	Q489-D493 VanDerWaalsContact O-CG 3.31Å; Q489-D493 PolarHBondContact O-N 3.03Å; D493-D496 PolarHBondContact O-N 3.21Å; D493-A497 WeakPolarHBondContact O-CB 2.97Å; D493-A497 PolarHBondContact O-N 3.31Å
494	Q	89.8	Confident	85.8	Confident	104 Å²	104	99 Å²	99	49%	0.486	49%	0.487	S	S	.	.	H	α-helix	trans	-63.5	-41.3	176.1	-78.2	174	12	0	0	112.1	E490 Y491 T498	E490-Q494 VanDerWaalsContact O-CB 3.27Å; E490-Q494 WeakPolarHBondContact O-CB 3.41Å; E490-Q494 WeakPolarHBondContact O-CG 2.99Å; E490-Q494 PolarHBondContact O-N 3.14Å; Y491-Q494 PolarHBondContact O-N 3.18Å; Q494-T498 VanDerWaalsContact O-CB 3.25Å; Q494-T498 WeakPolarHBondContact O-CB 3.45Å; Q494-T498 PolarHBondContact O-N 3.49Å; Q494-T498 PolarHBondContact O-OG1 3.14Å
495	R	88.6	Confident	86.9	Confident	113 Å²	113	95.9 Å²	95.9	43%	0.426	47%	0.472	S	S	.	.	H	α-helix	trans	-61.1	-49.2	177.3	-178.3	-165.4	69.6	-160.6	-6.5	110.3	Y491 E492 T499	Y491-R495 VanDerWaalsContact O-CB 3.3Å; Y491-R495 WeakPolarHBondContact O-CB 3.47Å; Y491-R495 PolarHBondContact O-N 3.37Å; E492-R495 PolarHBondContact O-N 3.46Å; R495-T499 WeakPolarHBondContact O-CB 3.47Å; R495-T499 PolarHBondContact O-N 3.01Å; R495-T499 PolarHBondContact O-OG1 2.95Å
496	D	88.1	Confident	87.7	Confident	75 Å²	75	88.9 Å²	88.9	40%	0.401	45%	0.452	S	S	.	.	H	α-helix	trans	-69.4	-40.8	-176.5	-67	-1.6	0	0	0	110.4	E492 D493 T499 L500	E492-D496 WeakPolarHBondContact O-CB 3.39Å; E492-D496 VanDerWaalsContact O-CG 3.29Å; E492-D496 PolarHBondContact O-N 2.94Å; D493-D496 PolarHBondContact O-N 3.21Å; D496-T499 PolarHBondContact O-N 2.72Å; D496-L500 WeakPolarHBondContact O-CB 3.28Å; D496-L500 VanDerWaalsContact O-CG 3.24Å; D496-L500 WeakPolarHBondContact O-CG 3.17Å; D496-L500 PolarHBondContact O-N 3.4Å
497	A	88.8	Confident	87.9	Confident	54 Å²	54	86 Å²	86	45%	0.446	43%	0.434	S	S	.	.	H	α-helix	trans	-61.8	-47.6	174.3	0	0	0	0	0	112.8	D493 T499 L500 E501	D493-A497 WeakPolarHBondContact O-CB 2.97Å; D493-A497 PolarHBondContact O-N 3.31Å; A497-T499 VanDerWaalsContact C-N 3.31Å; A497-T499 PolarHBondContact O-N 2.9Å; A497-L500 PolarHBondContact O-N 2.87Å; A497-E501 WeakPolarHBondContact O-CB 3.42Å; A497-E501 PolarHBondContact O-N 3.34Å
498	T	90.9	Very high	87.7	Confident	88 Å²	88	87.9 Å²	87.9	54%	0.54	43%	0.433	S	S	.	.	H	α-helix	trans	-64.2	-37.7	178.6	-53.4	0	0	0	0	111.2	Q494 E501 S502	Q494-T498 VanDerWaalsContact O-CB 3.25Å; Q494-T498 WeakPolarHBondContact O-CB 3.45Å; Q494-T498 PolarHBondContact O-N 3.49Å; Q494-T498 PolarHBondContact O-OG1 3.14Å; T498-E501 PolarHBondContact O-N 2.63Å; T498-S502 WeakPolarHBondContact O-CB 3.26Å; T498-S502 PolarHBondContact O-N 2.86Å; T498-S502 PolarHBondContact O-OG 3.35Å
499	T	89.1	Confident	87.5	Confident	70 Å²	70	85.8 Å²	85.8	43%	0.429	42%	0.423	S	S	.	.	H	α-helix	trans	-65.6	-44.2	175.7	-55.2	0	0	0	0	110.8	R495 D496 A497 S502 L503	R495-T499 WeakPolarHBondContact O-CB 3.47Å; R495-T499 PolarHBondContact O-N 3.01Å; R495-T499 PolarHBondContact O-OG1 2.95Å; D496-T499 PolarHBondContact O-N 2.72Å; A497-T499 VanDerWaalsContact C-N 3.31Å; A497-T499 PolarHBondContact O-N 2.9Å; T499-S502 WeakPolarHBondContact CA-OG 3.49Å; T499-S502 PolarHBondContact O-OG 3.47Å; T499-L503 HydrophobicContact CG2-CD1 4.17Å; T499-L503 WeakPolarHBondContact O-CB 3.44Å; T499-L503 WeakPolarHBondContact O-CG 3.31Å; T499-L503 PolarHBondContact O-N 3.07Å
500	L	86.4	Confident	87.2	Confident	70 Å²	70	80.7 Å²	80.7	37%	0.366	40%	0.4	S	S	.	.	H	α-helix	trans	-65.5	-40.5	176.5	-71	171.5	0	0	0	112.2	D496 A497 L503 R504 V535	D496-L500 WeakPolarHBondContact O-CB 3.28Å; D496-L500 VanDerWaalsContact O-CG 3.24Å; D496-L500 WeakPolarHBondContact O-CG 3.17Å; D496-L500 PolarHBondContact O-N 3.4Å; A497-L500 PolarHBondContact O-N 2.87Å; L500-L503 PolarHBondContact O-N 3.45Å; L500-R504 VanDerWaalsContact O-CG 3.32Å; L500-R504 WeakPolarHBondContact O-CG 3.37Å; L500-R504 PolarHBondContact O-N 3.47Å; L500-V535 HydrophobicContact CD2-CG2 3.49Å; L500-V535 VanDerWaalsContact CD2-CG2 3.49Å
501	E	88	Confident	86.6	Confident	119 Å²	119	78.4 Å²	78.4	56%	0.556	39%	0.394	S	S	*	.	H	α-helix	trans	-66.9	-45.3	178.9	-175.4	163.1	-144.8	0	0	112.1	A497 T498 L503 R504 Q505	A497-E501 WeakPolarHBondContact O-CB 3.42Å; A497-E501 PolarHBondContact O-N 3.34Å; T498-E501 PolarHBondContact O-N 2.63Å; E501-L503 VanDerWaalsContact C-N 3.34Å; E501-L503 PolarHBondContact O-N 3.05Å; E501-R504 WeakPolarHBondContact O-CB 3.37Å; E501-R504 PolarHBondContact O-N 3.43Å; E501-Q505 WeakPolarHBondContact O-CB 3.31Å; E501-Q505 PolarHBondContact O-N 2.88Å
502	S	87.8	Confident	86.2	Confident	65 Å²	65	76.3 Å²	76.3	46%	0.455	40%	0.398	S	S	.	.	H	α-helix	trans	-63.2	-38.2	175	56.2	0	0	0	0	112.5	T498 T499 Q505 L506	T498-S502 WeakPolarHBondContact O-CB 3.26Å; T498-S502 PolarHBondContact O-N 2.86Å; T498-S502 PolarHBondContact O-OG 3.35Å; T499-S502 WeakPolarHBondContact CA-OG 3.49Å; T499-S502 PolarHBondContact O-OG 3.47Å; S502-Q505 WeakPolarHBondContact O-CB 3.08Å; S502-Q505 PolarHBondContact O-N 3.37Å; S502-L506 WeakPolarHBondContact O-CB 3.38Å; S502-L506 PolarHBondContact O-N 3.43Å
503	L	86.8	Confident	85.7	Confident	26 Å²	26	75.5 Å²	75.5	14%	0.136	40%	0.396	C	S	.	.	H	α-helix	trans	-64.4	-39.1	172.6	-75.6	174.9	0	0	0	112.3	T499 L500 E501 L506 L507 F528 V535	T499-L503 HydrophobicContact CG2-CD1 4.17Å; T499-L503 WeakPolarHBondContact O-CB 3.44Å; T499-L503 WeakPolarHBondContact O-CG 3.31Å; T499-L503 PolarHBondContact O-N 3.07Å; L500-L503 PolarHBondContact O-N 3.45Å; E501-L503 VanDerWaalsContact C-N 3.34Å; E501-L503 PolarHBondContact O-N 3.05Å; L503-L506 PolarHBondContact O-N 3Å; L503-L507 PolarHBondContact O-N 2.73Å; L503-F528 HydrophobicContact CB-CE2 4.45Å; L503-F528 HydrophobicContact CB-CZ 4.01Å; L503-F528 HydrophobicContact CD2-CE2 3.85Å; L503-F528 HydrophobicContact CD2-CZ 4.11Å; L503-F528 WeakPolarHBondContact O-CZ 3.28Å; L503-V535 HydrophobicContact CB-CG1 4.16Å; L503-V535 HydrophobicContact CD1-CG2 4.41Å
504	R	83.6	Confident	84.6	Confident	99 Å²	99	75.5 Å²	75.5	37%	0.374	41%	0.409	S	S	.	.	H	α-helix	trans	-67.4	-39.5	173.2	-73.4	174	-177.8	158	1	112.1	L500 E501 L507 R508 V535	L500-R504 VanDerWaalsContact O-CG 3.32Å; L500-R504 WeakPolarHBondContact O-CG 3.37Å; L500-R504 PolarHBondContact O-N 3.47Å; E501-R504 WeakPolarHBondContact O-CB 3.37Å; E501-R504 PolarHBondContact O-N 3.43Å; R504-L507 PolarHBondContact O-N 2.81Å; R504-R508 WeakPolarHBondContact O-CG 2.97Å; R504-R508 PolarHBondContact O-N 3.17Å; R504-V535 HydrophobicContact CG-CG1 3.75Å
505	Q	86.2	Confident	83.9	Confident	95 Å²	95	78.1 Å²	78.1	44%	0.444	43%	0.427	S	S	.	.	H	α-helix	trans	-59.8	-49.2	174.1	-165.4	99.1	-1.9	0	0	110.1	E501 S502 L507 R508 D509	E501-Q505 WeakPolarHBondContact O-CB 3.31Å; E501-Q505 PolarHBondContact O-N 2.88Å; S502-Q505 WeakPolarHBondContact O-CB 3.08Å; S502-Q505 PolarHBondContact O-N 3.37Å; Q505-L507 VanDerWaalsContact C-N 3.31Å; Q505-L507 PolarHBondContact O-N 3.42Å; Q505-R508 WeakPolarHBondContact O-CB 3.28Å; Q505-R508 PolarHBondContact O-N 3.46Å; Q505-R508 VanDerWaalsContact O-N 3.11Å; Q505-D509 VanDerWaalsContact O-CG 3.26Å; Q505-D509 PolarHBondContact O-N 3.39Å
506	L	85.8	Confident	83.1	Confident	87 Å²	87	76.2 Å²	76.2	46%	0.455	42%	0.424	S	S	.	.	H	α-helix	trans	-58.9	-41.9	178.5	-175.7	66.8	0	0	0	112	S502 L503 D509 I510 F528	S502-L506 WeakPolarHBondContact O-CB 3.38Å; S502-L506 PolarHBondContact O-N 3.43Å; L503-L506 PolarHBondContact O-N 3Å; L506-D509 PolarHBondContact O-N 2.92Å; L506-I510 HydrophobicContact CD1-CD1 4.29Å; L506-I510 HydrophobicContact CG-CD1 3.94Å; L506-I510 WeakPolarHBondContact O-CB 3.46Å; L506-I510 WeakPolarHBondContact O-CD1 3.45Å; L506-I510 WeakPolarHBondContact O-CG1 3.48Å; L506-I510 PolarHBondContact O-N 3.03Å; L506-F528 HydrophobicContact CD2-CE2 4.3Å
507	L	83.5	Confident	82.8	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	43%	0.426	C	S	.	.	H	α-helix	trans	-68.1	-38.3	177.3	-168.1	155.2	0	0	0	111.9	L503 R504 Q505 I510 S511 L525 F528 F536 H539 F540	L503-L507 PolarHBondContact O-N 2.73Å; R504-L507 PolarHBondContact O-N 2.81Å; Q505-L507 VanDerWaalsContact C-N 3.31Å; Q505-L507 PolarHBondContact O-N 3.42Å; L507-I510 PolarHBondContact O-N 3.22Å; L507-S511 VanDerWaalsContact O-CB 3.28Å; L507-S511 WeakPolarHBondContact O-CB 3.17Å; L507-S511 PolarHBondContact O-N 2.84Å; L507-S511 PolarHBondContact O-OG 2.86Å; L507-L525 HydrophobicContact CG-CD2 4.41Å; L507-F528 HydrophobicContact CB-CE1 4.44Å; L507-F528 HydrophobicContact CB-CE2 4.5Å; L507-F528 HydrophobicContact CB-CZ 4.19Å; L507-F528 HydrophobicContact CD1-CD1 3.66Å; L507-F528 HydrophobicContact CD1-CE1 3.47Å; L507-F528 VanDerWaalsContact CD1-CE1 3.47Å; L507-F528 HydrophobicContact CD1-CG 4.4Å; L507-F528 HydrophobicContact CD1-CZ 4.06Å; L507-F528 HydrophobicContact CG-CE1 4.5Å; L507-F536 HydrophobicContact CD1-CB 4.41Å; L507-F536 HydrophobicContact CD1-CD2 3.81Å; L507-F536 HydrophobicContact CD1-CG 4.47Å; L507-H539 HydrophobicContact CD1-CB 4.44Å; L507-H539 HydrophobicContact CD2-CB 4.02Å; L507-H539 VanDerWaalsContact CD2-CE1 3.48Å; L507-H539 WeakPolarHBondContact CD2-CE1 3.28Å; L507-H539 WeakPolarHBondContact CD2-ND1 3.42Å; L507-F540 HydrophobicContact CD1-CE2 4.33Å; L507-F540 HydrophobicContact CD2-CE2 4.11Å; L507-F540 HydrophobicContact CD2-CZ 4.3Å
508	R	81.4	Confident	82.1	Confident	114 Å²	114	75.9 Å²	75.9	43%	0.43	43%	0.432	S	S	.	.	H	α-helix	trans	-61.3	-43	171	-77.7	-174.8	-76.5	174.8	-0.9	111.8	R504 Q505 S511 S512 H539	R504-R508 WeakPolarHBondContact O-CG 2.97Å; R504-R508 PolarHBondContact O-N 3.17Å; Q505-R508 WeakPolarHBondContact O-CB 3.28Å; Q505-R508 PolarHBondContact O-N 3.46Å; Q505-R508 VanDerWaalsContact O-N 3.11Å; R508-S511 WeakPolarHBondContact CA-OG 3.35Å; R508-S511 PolarHBondContact O-N 3.34Å; R508-S511 PolarHBondContact O-OG 2.89Å; R508-S512 VanDerWaalsContact O-CB 3.25Å; R508-S512 WeakPolarHBondContact O-CB 3.48Å; R508-S512 PolarHBondContact O-N 2.75Å; R508-S512 PolarHBondContact O-OG 3.19Å; R508-H539 WeakPolarHBondContact CG-NE2 3.35Å
509	D	83.7	Confident	81.4	Confident	85 Å²	85	79.5 Å²	79.5	46%	0.455	44%	0.44	S	S	.	.	H	α-helix	trans	-66.7	-43.8	178.9	-65.9	-18.9	0	0	0	111	Q505 L506 S511 S512 N513	Q505-D509 VanDerWaalsContact O-CG 3.26Å; Q505-D509 PolarHBondContact O-N 3.39Å; L506-D509 PolarHBondContact O-N 2.92Å; D509-S511 VanDerWaalsContact C-N 3.34Å; D509-S511 PolarHBondContact O-N 3.23Å; D509-S512 PolarHBondContact O-N 2.85Å; D509-S512 PolarHBondContact O-OG 3.31Å; D509-N513 WeakPolarHBondContact O-CB 3.14Å; D509-N513 PolarHBondContact O-N 3.44Å
510	I	82.1	Confident	80.9	Confident	31 Å²	31	81.3 Å²	81.3	16%	0.159	44%	0.444	C	S	.	.	H	α-helix	trans	-63.5	-40.2	175.9	-67.1	165.2	0	0	0	111.1	L506 L507 K521 L524 L525	L506-I510 HydrophobicContact CD1-CD1 4.29Å; L506-I510 HydrophobicContact CG-CD1 3.94Å; L506-I510 WeakPolarHBondContact O-CB 3.46Å; L506-I510 WeakPolarHBondContact O-CD1 3.45Å; L506-I510 WeakPolarHBondContact O-CG1 3.48Å; L506-I510 PolarHBondContact O-N 3.03Å; L507-I510 PolarHBondContact O-N 3.22Å; I510-K521 HydrophobicContact CG2-CG 4.32Å; I510-K521 WeakPolarHBondContact O-CE 3.47Å; I510-K521 PolarHBondContact O-NZ 3.32Å; I510-L524 HydrophobicContact CG2-CB 4.39Å; I510-L525 HydrophobicContact CG2-CD2 4.15Å; I510-L525 HydrophobicContact CG2-CG 4.1Å
511	S	76.8	Confident	80.6	Confident	43 Å²	43	80.4 Å²	80.4	30%	0.301	44%	0.437	S	S	.	.	H	α-helix	trans	-76.7	-29.5	-178.6	61.2	0	0	0	0	113.9	L507 R508 D509 K521	L507-S511 VanDerWaalsContact O-CB 3.28Å; L507-S511 WeakPolarHBondContact O-CB 3.17Å; L507-S511 PolarHBondContact O-N 2.84Å; L507-S511 PolarHBondContact O-OG 2.86Å; R508-S511 WeakPolarHBondContact CA-OG 3.35Å; R508-S511 PolarHBondContact O-N 3.34Å; R508-S511 PolarHBondContact O-OG 2.89Å; D509-S511 VanDerWaalsContact C-N 3.34Å; D509-S511 PolarHBondContact O-N 3.23Å; S511-K521 WeakPolarHBondContact O-CE 3.3Å; S511-K521 PolarHBondContact O-NZ 2.93Å
512	S	78.7	Confident	80.1	Confident	87 Å²	87	83.5 Å²	83.5	61%	0.608	44%	0.443	S	S	*	.	H	α-helix	trans	-92.3	-18.4	178.8	62.8	0	0	0	0	114.3	R508 D509 A514	R508-S512 VanDerWaalsContact O-CB 3.25Å; R508-S512 WeakPolarHBondContact O-CB 3.48Å; R508-S512 PolarHBondContact O-N 2.75Å; R508-S512 PolarHBondContact O-OG 3.19Å; D509-S512 PolarHBondContact O-N 2.85Å; D509-S512 PolarHBondContact O-OG 3.31Å; S512-A514 PolarHBondContact O-N 2.79Å
513	N	81	Confident	79.8	Confident	66 Å²	66	86.6 Å²	86.6	35%	0.353	45%	0.448	S	S	.	.			trans	-67	118.5	-179	-169.2	-21.5	0	0	0	112	D509 N515 M516 K521	D509-N513 WeakPolarHBondContact O-CB 3.14Å; D509-N513 PolarHBondContact O-N 3.44Å; N513-N515 PolarHBondContact OD1-N 3.33Å; N513-M516 HydrophobicContact CB-CG 4.37Å; N513-K521 PolarHBondContact O-NZ 2.79Å
514	A	69.2	Low	79.6	Confident	94 Å²	94	88.4 Å²	88.4	78%	0.777	46%	0.458	S	S	*	.	S	Bend	trans	-89.1	-14.9	-179.6	0	0	0	0	0	113.8	S512	S512-A514 PolarHBondContact O-N 2.79Å
515	N	74.6	Confident	79.4	Confident	160 Å²	160	85.2 Å²	85.2	86%	0.856	45%	0.448	S	S	*	.	S	Bend	trans	-89	-8.1	-176.9	-65.9	-21.2	0	0	0	113.2	N513	N513-N515 PolarHBondContact OD1-N 3.33Å
516	M	73.4	Confident	79.2	Confident	72 Å²	72	87.8 Å²	87.8	36%	0.355	46%	0.458	S	S	.	.	S	Bend	trans	-88.6	133.2	-179.8	-72.5	-71.5	-82.1	0	0	111.4	N513 A518 Q520 L524	N513-M516 HydrophobicContact CB-CG 4.37Å; M516-A518 PolarHBondContact O-N 3.16Å; M516-Q520 HydrophobicContact CE-CB 4.43Å; M516-L524 HydrophobicContact CE-CD1 3.82Å
517	A	80.4	Confident	79	Confident	55 Å²	55	88.9 Å²	88.9	46%	0.455	46%	0.461	S	S	.	.			trans	-58.9	133	175.9	0	0	0	0	0	110.9	K519 Q520 K521	A517-K519 PolarHBondContact O-N 3.48Å; A517-Q520 HydrophobicContact CB-CG 4.5Å; A517-Q520 PolarHBondContact O-N 3.25Å; A517-K521 PolarHBondContact O-N 2.72Å
518	A	75.4	Confident	78.9	Confident	68 Å²	68	89.7 Å²	89.7	56%	0.562	46%	0.464	S	S	*	.	H	α-helix	trans	-54.5	-29.6	-174.9	0	0	0	0	0	113.9	M516 R522	M516-A518 PolarHBondContact O-N 3.16Å; A518-R522 WeakPolarHBondContact O-CG 3.36Å; A518-R522 PolarHBondContact O-N 3.06Å; A518-R522 VanDerWaalsContact O-N 3.14Å
519	K	76.4	Confident	78.8	Confident	163 Å²	163	88.9 Å²	88.9	71%	0.709	47%	0.465	S	S	*	.	H	α-helix	trans	-69.5	-38.6	175.7	-168.3	176.3	-177	178	0	112.7	A517 K523	A517-K519 PolarHBondContact O-N 3.48Å; K519-K523 WeakPolarHBondContact O-CG 3.35Å; K519-K523 PolarHBondContact O-N 3.29Å
520	Q	78.4	Confident	78.8	Confident	109 Å²	109	92.7 Å²	92.7	51%	0.509	48%	0.478	S	S	.	.	H	α-helix	trans	-74	-41.4	177.8	-71.5	172.4	-24	0	0	110.8	M516 A517 R522 K523 L524	M516-Q520 HydrophobicContact CE-CB 4.43Å; A517-Q520 HydrophobicContact CB-CG 4.5Å; A517-Q520 PolarHBondContact O-N 3.25Å; Q520-R522 VanDerWaalsContact C-N 3.35Å; Q520-R522 PolarHBondContact O-N 3.05Å; Q520-K523 WeakPolarHBondContact O-CB 3.43Å; Q520-K523 PolarHBondContact O-N 3.18Å; Q520-K523 VanDerWaalsContact O-N 3.1Å; Q520-L524 WeakPolarHBondContact O-CG 3.33Å; Q520-L524 PolarHBondContact O-N 3.02Å
521	K	79.8	Confident	78.8	Confident	51 Å²	51	97.1 Å²	97.1	22%	0.222	50%	0.497	C	S	.	.	H	α-helix	trans	-56.3	-45.8	174.1	-173.5	169	179.1	160.8	0	112.5	I510 S511 N513 A517 K523 L524 L525	I510-K521 HydrophobicContact CG2-CG 4.32Å; I510-K521 WeakPolarHBondContact O-CE 3.47Å; I510-K521 PolarHBondContact O-NZ 3.32Å; S511-K521 WeakPolarHBondContact O-CE 3.3Å; S511-K521 PolarHBondContact O-NZ 2.93Å; N513-K521 PolarHBondContact O-NZ 2.79Å; A517-K521 PolarHBondContact O-N 2.72Å; K521-K523 PolarHBondContact O-N 2.89Å; K521-L524 PolarHBondContact O-N 3.4Å; K521-L525 HydrophobicContact CG-CD1 4.25Å; K521-L525 WeakPolarHBondContact O-CB 3.36Å; K521-L525 WeakPolarHBondContact O-CG 3.45Å; K521-L525 PolarHBondContact O-N 3.08Å
522	R	77.4	Confident	79	Confident	184 Å²	184	99 Å²	99	69%	0.694	50%	0.501	S	S	*	.	H	α-helix	trans	-65.7	-33.6	175.5	-73.1	177.5	-175.6	-178.9	2.1	113.4	A518 Q520 K526	A518-R522 WeakPolarHBondContact O-CG 3.36Å; A518-R522 PolarHBondContact O-N 3.06Å; A518-R522 VanDerWaalsContact O-N 3.14Å; Q520-R522 VanDerWaalsContact C-N 3.35Å; Q520-R522 PolarHBondContact O-N 3.05Å; R522-K526 WeakPolarHBondContact O-CG 3.29Å; R522-K526 PolarHBondContact O-N 2.97Å
523	K	82.3	Confident	78.9	Confident	129 Å²	129	97.9 Å²	97.9	56%	0.561	49%	0.492	S	S	*	.	H	α-helix	trans	-67.7	-48.2	175.5	-78	-176	174.7	-166.9	0	111.4	K519 Q520 K521 L525 K526 E527	K519-K523 WeakPolarHBondContact O-CG 3.35Å; K519-K523 PolarHBondContact O-N 3.29Å; Q520-K523 WeakPolarHBondContact O-CB 3.43Å; Q520-K523 PolarHBondContact O-N 3.18Å; Q520-K523 VanDerWaalsContact O-N 3.1Å; K521-K523 PolarHBondContact O-N 2.89Å; K523-L525 VanDerWaalsContact C-N 3.35Å; K523-L525 PolarHBondContact O-N 3.14Å; K523-K526 PolarHBondContact O-N 2.86Å; K523-E527 PolarHBondContact O-N 2.9Å
524	L	81.1	Confident	78.7	Confident	64 Å²	64	99.2 Å²	99.2	34%	0.335	50%	0.502	S	S	.	.	H	α-helix	trans	-63	-40	179.2	-69.5	170.6	0	0	0	112.1	I510 M516 Q520 K521 K526 E527 F528	I510-L524 HydrophobicContact CG2-CB 4.39Å; M516-L524 HydrophobicContact CE-CD1 3.82Å; Q520-L524 WeakPolarHBondContact O-CG 3.33Å; Q520-L524 PolarHBondContact O-N 3.02Å; K521-L524 PolarHBondContact O-N 3.4Å; L524-K526 PolarHBondContact O-N 2.92Å; L524-E527 PolarHBondContact O-N 2.61Å; L524-F528 WeakPolarHBondContact O-CB 3.32Å; L524-F528 PolarHBondContact O-N 3.08Å
525	L	80.6	Confident	79	Confident	33 Å²	33	95 Å²	95	17%	0.173	47%	0.467	C	S	.	.	H	α-helix	trans	-64.3	-38.5	174.7	-73.7	169.3	0	0	0	112.5	L507 I510 K521 K523 F528 E529 F536	L507-L525 HydrophobicContact CG-CD2 4.41Å; I510-L525 HydrophobicContact CG2-CD2 4.15Å; I510-L525 HydrophobicContact CG2-CG 4.1Å; K521-L525 HydrophobicContact CG-CD1 4.25Å; K521-L525 WeakPolarHBondContact O-CB 3.36Å; K521-L525 WeakPolarHBondContact O-CG 3.45Å; K521-L525 PolarHBondContact O-N 3.08Å; K523-L525 VanDerWaalsContact C-N 3.35Å; K523-L525 PolarHBondContact O-N 3.14Å; L525-F528 PolarHBondContact O-N 2.82Å; L525-E529 WeakPolarHBondContact O-CB 3.24Å; L525-E529 PolarHBondContact O-N 3.27Å; L525-F536 HydrophobicContact CB-CE2 4.37Å; L525-F536 HydrophobicContact CD2-CE2 4.17Å
526	K	80.8	Confident	79	Confident	149 Å²	149	88.7 Å²	88.7	65%	0.648	43%	0.432	S	S	*	.	H	α-helix	trans	-68.4	-37.5	174.6	-76.6	-176.9	177.4	-164.7	0	112.8	R522 K523 L524 F528 K530	R522-K526 WeakPolarHBondContact O-CG 3.29Å; R522-K526 PolarHBondContact O-N 2.97Å; K523-K526 PolarHBondContact O-N 2.86Å; L524-K526 PolarHBondContact O-N 2.92Å; K526-F528 VanDerWaalsContact C-N 3.33Å; K526-K530 WeakPolarHBondContact O-CB 3.25Å; K526-K530 PolarHBondContact O-N 3.27Å
527	E	81.4	Confident	79.1	Confident	110 Å²	110	90.8 Å²	90.8	51%	0.514	44%	0.444	S	S	.	.	H	α-helix	trans	-67.1	-38.2	173.9	-75.4	176.9	179.4	0	0	111.1	K523 L524 K530 H531	K523-E527 PolarHBondContact O-N 2.9Å; L524-E527 PolarHBondContact O-N 2.61Å; E527-K530 PolarHBondContact O-N 3.26Å; E527-H531 PolarHBondContact O-N 3.42Å; E527-H531 VanDerWaalsContact O-N 3.13Å; E527-H531 PolarHBondContact O-ND1 3.31Å
528	F	82.3	Confident	78.6	Confident	17 Å²	17	92 Å²	92	8%	0.075	44%	0.44	C	S	.	.	H	α-helix	trans	-66.8	-43.7	175.2	-163.7	-78.3	0	0	0	111.9	L503 L506 L507 L524 L525 K526 K530 H531 H532 V535 F536	L503-F528 HydrophobicContact CB-CE2 4.45Å; L503-F528 HydrophobicContact CB-CZ 4.01Å; L503-F528 HydrophobicContact CD2-CE2 3.85Å; L503-F528 HydrophobicContact CD2-CZ 4.11Å; L503-F528 WeakPolarHBondContact O-CZ 3.28Å; L506-F528 HydrophobicContact CD2-CE2 4.3Å; L507-F528 HydrophobicContact CB-CE1 4.44Å; L507-F528 HydrophobicContact CB-CE2 4.5Å; L507-F528 HydrophobicContact CB-CZ 4.19Å; L507-F528 HydrophobicContact CD1-CD1 3.66Å; L507-F528 HydrophobicContact CD1-CE1 3.47Å; L507-F528 VanDerWaalsContact CD1-CE1 3.47Å; L507-F528 HydrophobicContact CD1-CG 4.4Å; L507-F528 HydrophobicContact CD1-CZ 4.06Å; L507-F528 HydrophobicContact CG-CE1 4.5Å; L524-F528 WeakPolarHBondContact O-CB 3.32Å; L524-F528 PolarHBondContact O-N 3.08Å; L525-F528 PolarHBondContact O-N 2.82Å; K526-F528 VanDerWaalsContact C-N 3.33Å; F528-K530 VanDerWaalsContact C-N 3.26Å; F528-K530 PolarHBondContact O-N 3.16Å; F528-H531 PolarHBondContact O-N 2.8Å; F528-H532 HydrophobicContact CD1-CB 4.3Å; F528-H532 HydrophobicContact CE1-CB 3.98Å; F528-H532 HydrophobicContact CZ-CB 4.33Å; F528-H532 CarbonylContact O-C 3.58Å; F528-H532 WeakPolarHBondContact O-CA 3.19Å; F528-H532 PolarHBondContact O-N 3.37Å; F528-V535 HydrophobicContact CE1-CB 4.15Å; F528-V535 HydrophobicContact CE1-CG1 4.19Å; F528-V535 HydrophobicContact CZ-CB 4.47Å; F528-V535 HydrophobicContact CZ-CG1 4.18Å; F528-F536 HydrophobicContact CD1-CB 4.14Å; F528-F536 HydrophobicContact CD1-CD2 4.14Å; F528-F536 HydrophobicContact CE1-CB 4.37Å
529	E	79.7	Confident	78.3	Confident	97 Å²	97	90 Å²	90	45%	0.453	42%	0.419	S	S	.	.	H	α-helix	trans	-58.4	-38.7	173.5	-175.7	-178.3	-171.6	0	0	111.8	L525 P533 F536	L525-E529 WeakPolarHBondContact O-CB 3.24Å; L525-E529 PolarHBondContact O-N 3.27Å; E529-P533 WeakPolarHBondContact O-CA 3.3Å; E529-P533 WeakPolarHBondContact O-CB 3.12Å; E529-F536 HydrophobicContact CB-CD1 4.23Å; E529-F536 HydrophobicContact CB-CD2 4.13Å; E529-F536 HydrophobicContact CB-CE1 4.33Å; E529-F536 HydrophobicContact CB-CE2 4.22Å; E529-F536 HydrophobicContact CB-CG 4.14Å; E529-F536 HydrophobicContact CB-CZ 4.32Å; E529-F536 HydrophobicContact CG-CD1 4Å; E529-F536 HydrophobicContact CG-CE1 4.09Å; E529-F536 HydrophobicContact CG-CG 4.37Å
530	K	83.5	Confident	77.8	Confident	165 Å²	165	85.7 Å²	85.7	72%	0.717	40%	0.401	S	S	*	.	H	α-helix	trans	-68.5	-41.3	179.2	-172.9	-178.2	177.9	-172.4	0	113.3	K526 E527 F528	K526-K530 WeakPolarHBondContact O-CB 3.25Å; K526-K530 PolarHBondContact O-N 3.27Å; E527-K530 PolarHBondContact O-N 3.26Å; F528-K530 VanDerWaalsContact C-N 3.26Å; F528-K530 PolarHBondContact O-N 3.16Å
531	H	80.9	Confident	77	Confident	123 Å²	123	84.5 Å²	84.5	57%	0.569	40%	0.404	S	S	*	.	H	α-helix	trans	-94.5	-28.2	-173.9	-61.7	92.8	0	0	0	113.2	E527 F528	E527-H531 PolarHBondContact O-N 3.42Å; E527-H531 VanDerWaalsContact O-N 3.13Å; E527-H531 PolarHBondContact O-ND1 3.31Å; F528-H531 PolarHBondContact O-N 2.8Å
532	H	80.9	Confident	75.9	Confident	82 Å²	82	86.5 Å²	86.5	38%	0.38	42%	0.424	S	S	.	.			trans	-135.8	63.2	-177.6	-58.5	-67.1	0	0	0	111.9	F528 V534 V535 F536	F528-H532 HydrophobicContact CD1-CB 4.3Å; F528-H532 HydrophobicContact CE1-CB 3.98Å; F528-H532 HydrophobicContact CZ-CB 4.33Å; F528-H532 CarbonylContact O-C 3.58Å; F528-H532 WeakPolarHBondContact O-CA 3.19Å; F528-H532 PolarHBondContact O-N 3.37Å; H532-V534 VanDerWaalsContact C-N 3.31Å; H532-V534 PolarHBondContact O-N 2.89Å; H532-V535 PolarHBondContact O-N 2.96Å; H532-F536 PolarHBondContact O-N 3.27Å
533	P	77.8	Confident	74.7	Confident	64 Å²	64	81.6 Å²	81.6	42%	0.416	42%	0.419	S	S	.	.	H	α-helix	trans	-63.1	-35	-173.8	24	-33.9	0	0	0	113.1	E529 F536 L537	E529-P533 WeakPolarHBondContact O-CA 3.3Å; E529-P533 WeakPolarHBondContact O-CB 3.12Å; P533-F536 PolarHBondContact O-N 3.2Å; P533-L537 WeakPolarHBondContact O-CB 3.5Å; P533-L537 VanDerWaalsContact O-CG 3.27Å; P533-L537 WeakPolarHBondContact O-CG 3.32Å; P533-L537 PolarHBondContact O-N 3.31Å
534	V	76.1	Confident	72.8	Confident	94 Å²	94	87.1 Å²	87.1	57%	0.57	44%	0.443	S	S	*	.	H	α-helix	trans	-66.9	-42.3	-177.9	-178.3	0	0	0	0	111.7	H532 Q538	H532-V534 VanDerWaalsContact C-N 3.31Å; H532-V534 PolarHBondContact O-N 2.89Å; V534-Q538 WeakPolarHBondContact O-CB 3.24Å; V534-Q538 VanDerWaalsContact O-CG 3.29Å; V534-Q538 WeakPolarHBondContact O-CG 3.4Å; V534-Q538 PolarHBondContact O-N 3.1Å
535	V	76.2	Confident	72.4	Confident	5 Å²	5	88.3 Å²	88.3	3%	0.03	45%	0.448	C	S	.	.	H	α-helix	trans	-71.6	-38.7	179.9	-176.2	0	0	0	0	110.9	L500 L503 R504 F528 H532 H539	L500-V535 HydrophobicContact CD2-CG2 3.49Å; L500-V535 VanDerWaalsContact CD2-CG2 3.49Å; L503-V535 HydrophobicContact CB-CG1 4.16Å; L503-V535 HydrophobicContact CD1-CG2 4.41Å; R504-V535 HydrophobicContact CG-CG1 3.75Å; F528-V535 HydrophobicContact CE1-CB 4.15Å; F528-V535 HydrophobicContact CE1-CG1 4.19Å; F528-V535 HydrophobicContact CZ-CB 4.47Å; F528-V535 HydrophobicContact CZ-CG1 4.18Å; H532-V535 PolarHBondContact O-N 2.96Å; V535-H539 PolarHBondContact O-N 3.21Å; V535-H539 VanDerWaalsContact O-N 3.11Å
536	F	75.1	Confident	72	Confident	29 Å²	29	91.2 Å²	91.2	13%	0.127	46%	0.463	C	S	.	.	H	α-helix	trans	-59.8	-54.8	174.6	-174.4	-91.8	0	0	0	110.7	L507 L525 F528 E529 H532 P533 Q538 H539 F540	L507-F536 HydrophobicContact CD1-CB 4.41Å; L507-F536 HydrophobicContact CD1-CD2 3.81Å; L507-F536 HydrophobicContact CD1-CG 4.47Å; L525-F536 HydrophobicContact CB-CE2 4.37Å; L525-F536 HydrophobicContact CD2-CE2 4.17Å; F528-F536 HydrophobicContact CD1-CB 4.14Å; F528-F536 HydrophobicContact CD1-CD2 4.14Å; F528-F536 HydrophobicContact CE1-CB 4.37Å; E529-F536 HydrophobicContact CB-CD1 4.23Å; E529-F536 HydrophobicContact CB-CD2 4.13Å; E529-F536 HydrophobicContact CB-CE1 4.33Å; E529-F536 HydrophobicContact CB-CE2 4.22Å; E529-F536 HydrophobicContact CB-CG 4.14Å; E529-F536 HydrophobicContact CB-CZ 4.32Å; E529-F536 HydrophobicContact CG-CD1 4Å; E529-F536 HydrophobicContact CG-CE1 4.09Å; E529-F536 HydrophobicContact CG-CG 4.37Å; H532-F536 PolarHBondContact O-N 3.27Å; P533-F536 PolarHBondContact O-N 3.2Å; F536-Q538 VanDerWaalsContact C-N 3.34Å; F536-Q538 PolarHBondContact O-N 3.48Å; F536-H539 PolarHBondContact O-N 3.07Å; F536-F540 AromaticContact CD1-CD2 3.89Å; F536-F540 HydrophobicContact CD1-CD2 3.89Å; F536-F540 HydrophobicContact CD1-CE2 4.2Å; F536-F540 HydrophobicContact CD2-CD2 4.08Å; F536-F540 AromaticContact CD2-CE2 3.6Å; F536-F540 HydrophobicContact CD2-CE2 3.6Å; F536-F540 AromaticContact CE1-CD2 3.71Å; F536-F540 HydrophobicContact CE1-CD2 3.71Å; F536-F540 AromaticContact CE1-CE2 3.88Å; F536-F540 HydrophobicContact CE1-CE2 3.88Å; F536-F540 AromaticContact CE2-CD2 3.93Å; F536-F540 HydrophobicContact CE2-CD2 3.93Å; F536-F540 AromaticContact CE2-CE2 3.24Å; F536-F540 HydrophobicContact CE2-CE2 3.24Å; F536-F540 HydrophobicContact CE2-CZ 4.07Å; F536-F540 HydrophobicContact CG-CD2 4.06Å; F536-F540 HydrophobicContact CG-CE2 4.07Å; F536-F540 AromaticContact CZ-CD2 3.73Å; F536-F540 HydrophobicContact CZ-CD2 3.73Å; F536-F540 AromaticContact CZ-CE2 3.39Å; F536-F540 HydrophobicContact CZ-CE2 3.39Å; F536-F540 HydrophobicContact CZ-CZ 4.16Å; F536-F540 WeakPolarHBondContact O-CD2 3.43Å; F536-F540 PolarHBondContact O-N 2.91Å; F536-F540 VanDerWaalsContact O-N 3.16Å
537	L	74.2	Confident	71.5	Confident	116 Å²	116	87.9 Å²	87.9	61%	0.607	45%	0.453	S	S	*	.	H	α-helix	trans	-56.9	-47.1	179	-73	170.6	0	0	0	111.6	P533 H539 F540 S541	P533-L537 WeakPolarHBondContact O-CB 3.5Å; P533-L537 VanDerWaalsContact O-CG 3.27Å; P533-L537 WeakPolarHBondContact O-CG 3.32Å; P533-L537 PolarHBondContact O-N 3.31Å; L537-H539 VanDerWaalsContact C-N 3.34Å; L537-H539 PolarHBondContact O-N 3.05Å; L537-F540 PolarHBondContact O-N 3.27Å; L537-S541 WeakPolarHBondContact O-CB 3.45Å; L537-S541 PolarHBondContact O-N 2.97Å; L537-S541 PolarHBondContact O-OG 3.39Å
538	Q	71.4	Confident	70.9	Confident	80 Å²	80	86.6 Å²	86.6	37%	0.374	45%	0.449	S	S	.	.	H	α-helix	trans	-57.8	-41.5	178.8	-78.9	179.6	-0.3	0	0	113.5	V534 F536 S541 S542	V534-Q538 WeakPolarHBondContact O-CB 3.24Å; V534-Q538 VanDerWaalsContact O-CG 3.29Å; V534-Q538 WeakPolarHBondContact O-CG 3.4Å; V534-Q538 PolarHBondContact O-N 3.1Å; F536-Q538 VanDerWaalsContact C-N 3.34Å; F536-Q538 PolarHBondContact O-N 3.48Å; Q538-S541 VanDerWaalsContact CA-OG 3.31Å; Q538-S541 WeakPolarHBondContact CA-OG 3.33Å; Q538-S541 PolarHBondContact O-OG 3.22Å; Q538-S541 VanDerWaalsContact O-OG 3.07Å; Q538-S542 WeakPolarHBondContact O-CB 3.49Å; Q538-S542 PolarHBondContact O-N 3.1Å; Q538-S542 VanDerWaalsContact O-N 3.07Å; Q538-S542 PolarHBondContact O-OG 3.33Å
539	H	68.4	Low	70.2	Confident	26 Å²	26	91 Å²	91	12%	0.12	47%	0.472	C	S	.	.	H	α-helix	trans	-70.4	-37.7	-179.2	-175.5	-77.4	0	0	0	112.8	L507 R508 V535 F536 L537 S542 S543	L507-H539 HydrophobicContact CD1-CB 4.44Å; L507-H539 HydrophobicContact CD2-CB 4.02Å; L507-H539 VanDerWaalsContact CD2-CE1 3.48Å; L507-H539 WeakPolarHBondContact CD2-CE1 3.28Å; L507-H539 WeakPolarHBondContact CD2-ND1 3.42Å; R508-H539 WeakPolarHBondContact CG-NE2 3.35Å; V535-H539 PolarHBondContact O-N 3.21Å; V535-H539 VanDerWaalsContact O-N 3.11Å; F536-H539 PolarHBondContact O-N 3.07Å; L537-H539 VanDerWaalsContact C-N 3.34Å; L537-H539 PolarHBondContact O-N 3.05Å; H539-S542 PolarHBondContact O-OG 3Å; H539-S542 VanDerWaalsContact O-OG 3.11Å; H539-S543 PolarHBondContact O-N 3.36Å; H539-S543 PolarHBondContact O-OG 3.04Å
540	F	66.6	Low	69.6	Low	73 Å²	73	90.6 Å²	90.6	32%	0.32	47%	0.474	S	S	.	.	H	α-helix	trans	-78.2	-33	177.3	-73.1	-75.8	0	0	0	111.9	L507 F536 L537 S542 S543 F544	L507-F540 HydrophobicContact CD1-CE2 4.33Å; L507-F540 HydrophobicContact CD2-CE2 4.11Å; L507-F540 HydrophobicContact CD2-CZ 4.3Å; F536-F540 AromaticContact CD1-CD2 3.89Å; F536-F540 HydrophobicContact CD1-CD2 3.89Å; F536-F540 HydrophobicContact CD1-CE2 4.2Å; F536-F540 HydrophobicContact CD2-CD2 4.08Å; F536-F540 AromaticContact CD2-CE2 3.6Å; F536-F540 HydrophobicContact CD2-CE2 3.6Å; F536-F540 AromaticContact CE1-CD2 3.71Å; F536-F540 HydrophobicContact CE1-CD2 3.71Å; F536-F540 AromaticContact CE1-CE2 3.88Å; F536-F540 HydrophobicContact CE1-CE2 3.88Å; F536-F540 AromaticContact CE2-CD2 3.93Å; F536-F540 HydrophobicContact CE2-CD2 3.93Å; F536-F540 AromaticContact CE2-CE2 3.24Å; F536-F540 HydrophobicContact CE2-CE2 3.24Å; F536-F540 HydrophobicContact CE2-CZ 4.07Å; F536-F540 HydrophobicContact CG-CD2 4.06Å; F536-F540 HydrophobicContact CG-CE2 4.07Å; F536-F540 AromaticContact CZ-CD2 3.73Å; F536-F540 HydrophobicContact CZ-CD2 3.73Å; F536-F540 AromaticContact CZ-CE2 3.39Å; F536-F540 HydrophobicContact CZ-CE2 3.39Å; F536-F540 HydrophobicContact CZ-CZ 4.16Å; F536-F540 WeakPolarHBondContact O-CD2 3.43Å; F536-F540 PolarHBondContact O-N 2.91Å; F536-F540 VanDerWaalsContact O-N 3.16Å; L537-F540 PolarHBondContact O-N 3.27Å; F540-S542 VanDerWaalsContact C-N 3.33Å; F540-S542 PolarHBondContact O-N 2.79Å; F540-S543 PolarHBondContact O-N 2.82Å; F540-F544 VanDerWaalsContact O-CD2 3.3Å; F540-F544 WeakPolarHBondContact O-CD2 3.46Å
541	S	60	Low	68.6	Low	84 Å²	84	85.3 Å²	85.3	59%	0.587	46%	0.456	S	S	*	.	H	α-helix	trans	-71.6	-23.2	173.5	53.8	0	0	0	0	113.9	L537 Q538	L537-S541 WeakPolarHBondContact O-CB 3.45Å; L537-S541 PolarHBondContact O-N 2.97Å; L537-S541 PolarHBondContact O-OG 3.39Å; Q538-S541 VanDerWaalsContact CA-OG 3.31Å; Q538-S541 WeakPolarHBondContact CA-OG 3.33Å; Q538-S541 PolarHBondContact O-OG 3.22Å; Q538-S541 VanDerWaalsContact O-OG 3.07Å
542	S	57.5	Low	67.6	Low	92 Å²	92	82.4 Å²	82.4	64%	0.643	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-8.1	174.8	61.9	0	0	0	0	114.2	Q538 H539 F540	Q538-S542 WeakPolarHBondContact O-CB 3.49Å; Q538-S542 PolarHBondContact O-N 3.1Å; Q538-S542 VanDerWaalsContact O-N 3.07Å; Q538-S542 PolarHBondContact O-OG 3.33Å; H539-S542 PolarHBondContact O-OG 3Å; H539-S542 VanDerWaalsContact O-OG 3.11Å; F540-S542 VanDerWaalsContact C-N 3.33Å; F540-S542 PolarHBondContact O-N 2.79Å
543	S	52	Low	66.5	Low	82 Å²	82	82.4 Å²	82.4	57%	0.573	45%	0.453	S	S	*	.			trans	-99.1	3.9	177.2	-60.3	0	0	0	0	113.3	H539 F540	H539-S543 PolarHBondContact O-N 3.36Å; H539-S543 PolarHBondContact O-OG 3.04Å; F540-S543 PolarHBondContact O-N 2.82Å
544	F	42.8	Very low	65.5	Low	244 Å²	244	84.1 Å²	84.1	100%	1.07	46%	0.457	S	S	*	.			trans	-104.1	0	175.2	-90.5	-73	0	0	0	112.1	F540	F540-F544 VanDerWaalsContact O-CD2 3.3Å; F540-F544 WeakPolarHBondContact O-CD2 3.46Å

Retrieved 544 of 544 residues in 171.5 ms (Link to these results)

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