A0A077Z6T4_TRITR Loading...

Spindle-pole body protein (Pcp1)

AlphaFold DB , UniProt , Accession A0A077Z6T4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 797 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	39.7	Very low	38.5	Very low	236 Å²	236	136.5 Å²	136.5	100%	1.163	76%	0.755	S	S	*	*				0	115.5	0	-70.9	-165.8	-178.1	0	0	107.2
2	N	35.8	Very low	38.6	Very low	130 Å²	130	137.7 Å²	137.7	70%	0.695	76%	0.757	S	S	*	*			cis	-173.4	142.5	-21.6	-118.6	34.9	0	0	0	101.7
3	D	39.3	Very low	38.6	Very low	129 Å²	129	131.2 Å²	131.2	69%	0.69	74%	0.741	S	S	*	*			trans	76.6	138.5	153.6	-45.3	-18.2	0	0	0	116.9
4	E	39.9	Very low	38.8	Very low	154 Å²	154	129.1 Å²	129.1	72%	0.72	73%	0.727	S	S	*	*			cis	176.2	152.2	-26.5	-117.4	-178.3	-165.6	0	0	103.8
5	N	39.4	Very low	38.7	Very low	135 Å²	135	129.8 Å²	129.8	72%	0.722	73%	0.727	S	S	*	*			trans	79.9	88.3	156.5	-58.3	-26.4	0	0	0	119.8
6	S	36.3	Very low	38.6	Very low	94 Å²	94	131.4 Å²	131.4	66%	0.657	73%	0.733	S	S	*	*				43.7	113.2	105.4	-169.4	0	0	0	0	117.8
7	T	42.7	Very low	38.1	Very low	142 Å²	142	129.1 Å²	129.1	87%	0.871	73%	0.728	S	S	*	*				-158.4	133.4	124.5	13.6	0	0	0	0	109.9
8	D	38.8	Very low	38	Very low	132 Å²	132	128.1 Å²	128.1	71%	0.706	73%	0.727	S	S	*	*			trans	-61.5	145.3	-165.8	-69.4	-58.5	0	0	0	115.4	Q10	D8-Q10 PolarHBondContact O-N 3.17Å
9	S	35.3	Very low	37.5	Very low	119 Å²	119	126.9 Å²	126.9	83%	0.832	73%	0.728	S	S	*	*			trans	-52.8	94.2	159.1	45.4	0	0	0	0	111.9
10	Q	37.4	Very low	37.4	Very low	155 Å²	155	129 Å²	129	72%	0.724	73%	0.728	S	S	*	*			trans	-93.2	106.5	163.3	-81.6	179.7	-19.7	0	0	109.4	D8	D8-Q10 PolarHBondContact O-N 3.17Å
11	S	39.3	Very low	37.3	Very low	75 Å²	75	129.7 Å²	129.7	52%	0.524	73%	0.73	S	S	.	*			trans	-67.5	146.8	169.7	92.8	0	0	0	0	109.1	G13 D14	S11-G13 PolarHBondContact O-N 3.2Å; S11-G13 PolarHBondContact OG-N 3.45Å; S11-D14 PolarHBondContact O-N 3.3Å
12	I	39.3	Very low	37	Very low	151 Å²	151	125.5 Å²	125.5	77%	0.774	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54	-11.6	172.5	-72.5	164.8	0	0	0	112.5	D14	I12-D14 VanDerWaalsContact C-N 3.34Å
13	G	38.7	Very low	37	Very low	54 Å²	54	125 Å²	125	56%	0.557	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	-20	170.4	0	0	0	0	0	115.7	S11	S11-G13 PolarHBondContact O-N 3.2Å; S11-G13 PolarHBondContact OG-N 3.45Å
14	D	41.3	Very low	37.1	Very low	102 Å²	102	121.9 Å²	121.9	55%	0.545	70%	0.702	S	S	.	*	G	3₁₀ helix	trans	-91.3	-11	-178.7	-69.1	-35.7	0	0	0	113.7	S11 I12 L16	S11-D14 PolarHBondContact O-N 3.3Å; I12-D14 VanDerWaalsContact C-N 3.34Å; D14-L16 VanDerWaalsContact C-N 3.29Å; D14-L16 PolarHBondContact O-N 2.94Å
15	L	36.8	Very low	37.2	Very low	139 Å²	139	119.5 Å²	119.5	73%	0.728	71%	0.708	S	S	*	*	G	3₁₀ helix	trans	-85.8	7.4	179.3	-71.6	170.1	0	0	0	114.1
16	L	38	Very low	37.3	Very low	155 Å²	155	122.3 Å²	122.3	81%	0.812	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-127.2	35.7	176.7	-67.5	177.2	0	0	0	113.2	D14 P18	D14-L16 VanDerWaalsContact C-N 3.29Å; D14-L16 PolarHBondContact O-N 2.94Å; L16-P18 VanDerWaalsContact O-CD 3.26Å; L16-P18 WeakPolarHBondContact O-CD 3.48Å
17	S	29.1	Very low	37.9	Very low	93 Å²	93	125.9 Å²	125.9	65%	0.65	71%	0.709	S	S	*	*			trans	-87.6	105.3	160	-72	0	0	0	0	109.2	S19	S17-S19 VanDerWaalsContact C-N 3.29Å; S17-S19 PolarHBondContact O-N 3.08Å
18	P	37.6	Very low	38.2	Very low	111 Å²	111	122.5 Å²	122.5	72%	0.721	69%	0.69	S	S	*	*			trans	-72.2	96.4	162.1	1.7	17.1	0	0	0	106.3	L16 F20	L16-P18 VanDerWaalsContact O-CD 3.26Å; L16-P18 WeakPolarHBondContact O-CD 3.48Å; P18-F20 HydrophobicContact CB-CD2 4.26Å; P18-F20 PolarHBondContact O-N 3.37Å
19	S	27.8	Very low	39	Very low	105 Å²	105	125.9 Å²	125.9	73%	0.734	69%	0.693	S	S	*	*			trans	-58.8	86.6	156.6	53.4	0	0	0	0	108.5	S17	S17-S19 VanDerWaalsContact C-N 3.29Å; S17-S19 PolarHBondContact O-N 3.08Å
20	F	35.4	Very low	40	Very low	169 Å²	169	125.3 Å²	125.3	74%	0.741	68%	0.68	S	S	*	*			trans	-137.8	66.6	165.6	-80.1	-75.5	0	0	0	109.4	P18 L22	P18-F20 HydrophobicContact CB-CD2 4.26Å; P18-F20 PolarHBondContact O-N 3.37Å; F20-L22 PolarHBondContact O-N 3.38Å
21	D	35.1	Very low	40.9	Very low	144 Å²	144	120.4 Å²	120.4	77%	0.77	66%	0.658	S	S	*	*			trans	-81.2	53.7	168.7	-153	7.5	0	0	0	110.7	A24	D21-A24 WeakPolarHBondContact OD1-CB 3.47Å
22	L	33.2	Very low	41.9	Very low	147 Å²	147	121.4 Å²	121.4	77%	0.77	66%	0.655	S	S	*	*	S	Bend	trans	-119.6	5.4	179.8	-95.6	151.8	0	0	0	113	F20	F20-L22 PolarHBondContact O-N 3.38Å
23	N	36.4	Very low	43.1	Very low	119 Å²	119	122.3 Å²	122.3	64%	0.636	65%	0.649	S	S	*	*	S	Bend	trans	-148	19.1	176.4	-90.7	-35.1	0	0	0	114.8	A25 Y26	N23-A25 PolarHBondContact O-N 3.24Å; N23-A25 VanDerWaalsContact O-N 3.08Å; N23-Y26 PolarHBondContact O-N 3Å
24	A	42	Very low	44.1	Very low	65 Å²	65	122.2 Å²	122.2	54%	0.537	64%	0.637	S	S	.	*	G	3₁₀ helix	trans	-56.9	-25.5	176	0	0	0	0	0	113.2	D21 Y26	D21-A24 WeakPolarHBondContact OD1-CB 3.47Å; A24-Y26 VanDerWaalsContact C-N 3.3Å; A24-Y26 PolarHBondContact O-N 3.2Å
25	A	41.1	Very low	45.3	Very low	104 Å²	104	119.5 Å²	119.5	86%	0.86	62%	0.624	S	S	*	*	G	3₁₀ helix	trans	-74.1	-11.4	175.2	0	0	0	0	0	114.9	N23	N23-A25 PolarHBondContact O-N 3.24Å; N23-A25 VanDerWaalsContact O-N 3.08Å
26	Y	42.2	Very low	46.8	Very low	193 Å²	193	117.7 Å²	117.7	76%	0.757	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-113.1	18.9	-178.5	-101.7	-81.3	0	0	0	113.8	N23 A24 P28	N23-Y26 PolarHBondContact O-N 3Å; A24-Y26 VanDerWaalsContact C-N 3.3Å; A24-Y26 PolarHBondContact O-N 3.2Å; Y26-P28 WeakPolarHBondContact O-CD 3.29Å; Y26-P28 VanDerWaalsContact O-N 3.08Å
27	R	47.6	Very low	48	Very low	169 Å²	169	112.8 Å²	112.8	64%	0.638	59%	0.594	S	S	*	*			trans	-63.6	110.2	169.2	-86	-167	-177.3	170.8	8.5	109.3	R29 E32	R27-R29 PolarHBondContact O-N 3.21Å; R27-E32 IonicContact NH1-OE1 3.91Å; R27-E32 PolarHBondContact NH1-OE1 2.97Å; R27-E32 VanDerWaalsContact NH1-OE1 3.16Å
28	P	49.9	Very low	49.5	Very low	72 Å²	72	110.2 Å²	110.2	47%	0.468	57%	0.571	S	S	.	*			trans	-65.3	125	172.7	-10	27.3	0	0	0	106	Y26 N30 L31	Y26-P28 WeakPolarHBondContact O-CD 3.29Å; Y26-P28 VanDerWaalsContact O-N 3.08Å; P28-N30 HydrophobicContact CB-CB 4.36Å; P28-N30 PolarHBondContact O-N 3.32Å; P28-L31 HydrophobicContact CG-CB 4.47Å; P28-L31 WeakPolarHBondContact O-CB 3.45Å; P28-L31 PolarHBondContact O-N 2.7Å
29	R	55.2	Low	51.2	Low	203 Å²	203	111.7 Å²	111.7	77%	0.766	57%	0.566	S	S	*	*	H	α-helix	trans	-48.8	-21.2	169.4	-78.4	179.9	174.2	172.7	-2.2	112.6	R27 R33	R27-R29 PolarHBondContact O-N 3.21Å; R29-R33 WeakPolarHBondContact O-CG 3.36Å; R29-R33 PolarHBondContact O-N 2.79Å
30	N	56.8	Low	53.2	Low	106 Å²	106	114.5 Å²	114.5	57%	0.567	56%	0.561	S	S	*	*	H	α-helix	trans	-70.6	-31.2	173.8	-65.1	-19.8	0	0	0	113.7	P28 T34	P28-N30 HydrophobicContact CB-CB 4.36Å; P28-N30 PolarHBondContact O-N 3.32Å; N30-T34 VanDerWaalsContact O-CB 3.3Å; N30-T34 WeakPolarHBondContact O-CB 3.5Å; N30-T34 PolarHBondContact O-N 2.96Å; N30-T34 PolarHBondContact O-OG1 3.5Å
31	L	55.2	Low	54.7	Low	52 Å²	52	109.8 Å²	109.8	27%	0.272	54%	0.541	S	S	.	.	H	α-helix	trans	-68.5	-45.5	179.8	-168.8	75.6	0	0	0	111.2	P28 R33 T34 V35	P28-L31 HydrophobicContact CG-CB 4.47Å; P28-L31 WeakPolarHBondContact O-CB 3.45Å; P28-L31 PolarHBondContact O-N 2.7Å; L31-R33 PolarHBondContact O-N 3.3Å; L31-T34 CarbonylContact O-C 3.59Å; L31-T34 WeakPolarHBondContact O-CB 3.35Å; L31-T34 PolarHBondContact O-N 2.91Å; L31-T34 VanDerWaalsContact O-N 3.1Å; L31-V35 WeakPolarHBondContact O-CG2 3.5Å; L31-V35 PolarHBondContact O-N 3.4Å
32	E	62.1	Low	56.4	Low	97 Å²	97	103.9 Å²	103.9	45%	0.453	51%	0.509	S	S	.	.	H	α-helix	trans	-61.7	-44.3	176.6	-71.8	175.8	174.3	0	0	111.3	R27 T34 V35 E36	R27-E32 IonicContact NH1-OE1 3.91Å; R27-E32 PolarHBondContact NH1-OE1 2.97Å; R27-E32 VanDerWaalsContact NH1-OE1 3.16Å; E32-T34 VanDerWaalsContact C-N 3.29Å; E32-T34 PolarHBondContact O-N 3.41Å; E32-V35 PolarHBondContact O-N 3.1Å; E32-E36 PolarHBondContact O-N 3.27Å
33	R	64.5	Low	58.2	Low	170 Å²	170	98.6 Å²	98.6	64%	0.642	48%	0.48	S	S	*	.	H	α-helix	trans	-60.2	-38.1	172.3	-71.7	-180	-174.9	170.4	-0.4	112.8	R29 L31 A37	R29-R33 WeakPolarHBondContact O-CG 3.36Å; R29-R33 PolarHBondContact O-N 2.79Å; L31-R33 PolarHBondContact O-N 3.3Å; R33-A37 WeakPolarHBondContact O-CB 3.35Å; R33-A37 PolarHBondContact O-N 3.24Å
34	T	59.3	Low	59.8	Low	51 Å²	51	95.3 Å²	95.3	31%	0.313	47%	0.466	S	S	.	.	H	α-helix	trans	-70.4	-42.2	179.2	-55	0	0	0	0	110.7	N30 L31 E32 A37 F38	N30-T34 VanDerWaalsContact O-CB 3.3Å; N30-T34 WeakPolarHBondContact O-CB 3.5Å; N30-T34 PolarHBondContact O-N 2.96Å; N30-T34 PolarHBondContact O-OG1 3.5Å; L31-T34 CarbonylContact O-C 3.59Å; L31-T34 WeakPolarHBondContact O-CB 3.35Å; L31-T34 PolarHBondContact O-N 2.91Å; L31-T34 VanDerWaalsContact O-N 3.1Å; E32-T34 VanDerWaalsContact C-N 3.29Å; E32-T34 PolarHBondContact O-N 3.41Å; T34-A37 WeakPolarHBondContact O-CB 3.33Å; T34-A37 PolarHBondContact O-N 3.26Å; T34-F38 HydrophobicContact CG2-CD2 3.89Å; T34-F38 HydrophobicContact CG2-CE2 3.56Å; T34-F38 WeakPolarHBondContact O-CD2 3.24Å; T34-F38 PolarHBondContact O-N 2.98Å
35	V	65.2	Low	61.2	Low	45 Å²	45	94 Å²	94	27%	0.273	45%	0.45	S	S	.	.	H	α-helix	trans	-64.5	-41.2	175	172.1	0	0	0	0	111.2	L31 E32 F38 K39	L31-V35 WeakPolarHBondContact O-CG2 3.5Å; L31-V35 PolarHBondContact O-N 3.4Å; E32-V35 PolarHBondContact O-N 3.1Å; V35-F38 WeakPolarHBondContact O-CB 3.43Å; V35-F38 PolarHBondContact O-N 3.42Å; V35-K39 WeakPolarHBondContact O-CG 3.38Å; V35-K39 PolarHBondContact O-N 2.82Å
36	E	68.2	Low	62.8	Low	101 Å²	101	91.3 Å²	91.3	47%	0.472	42%	0.418	S	S	.	.	H	α-helix	trans	-63.9	-42.2	172.9	-79.6	-171	-170.8	0	0	112.5	E32 F38 K39 R40	E32-E36 PolarHBondContact O-N 3.27Å; E36-F38 VanDerWaalsContact C-N 3.29Å; E36-F38 PolarHBondContact O-N 2.85Å; E36-K39 PolarHBondContact O-N 3.23Å; E36-R40 WeakPolarHBondContact O-CG 3.34Å; E36-R40 PolarHBondContact O-N 3.3Å; E36-R40 IonicContact OE2-NH2 2.94Å; E36-R40 PolarHBondContact OE2-NH2 3.02Å
37	A	64.8	Low	64.1	Low	52 Å²	52	82.7 Å²	82.7	43%	0.43	39%	0.385	S	S	.	.	H	α-helix	trans	-58.9	-43.2	173.4	0	0	0	0	0	110.9	R33 T34 K39 R40 E41	R33-A37 WeakPolarHBondContact O-CB 3.35Å; R33-A37 PolarHBondContact O-N 3.24Å; T34-A37 WeakPolarHBondContact O-CB 3.33Å; T34-A37 PolarHBondContact O-N 3.26Å; A37-K39 PolarHBondContact O-N 2.98Å; A37-R40 PolarHBondContact O-N 2.86Å; A37-E41 WeakPolarHBondContact O-CB 3.47Å; A37-E41 PolarHBondContact O-N 3.01Å
38	F	60.6	Low	65.2	Low	40 Å²	40	78.3 Å²	78.3	18%	0.175	37%	0.372	C	S	.	.	H	α-helix	trans	-61	-42.7	174.1	-84.6	-58.6	0	0	0	113.2	T34 V35 E36 R40 E41 N42 M718 L722	T34-F38 HydrophobicContact CG2-CD2 3.89Å; T34-F38 HydrophobicContact CG2-CE2 3.56Å; T34-F38 WeakPolarHBondContact O-CD2 3.24Å; T34-F38 PolarHBondContact O-N 2.98Å; V35-F38 WeakPolarHBondContact O-CB 3.43Å; V35-F38 PolarHBondContact O-N 3.42Å; E36-F38 VanDerWaalsContact C-N 3.29Å; E36-F38 PolarHBondContact O-N 2.85Å; F38-R40 VanDerWaalsContact C-N 3.34Å; F38-R40 PolarHBondContact O-N 3.25Å; F38-E41 PolarHBondContact O-N 3.43Å; F38-N42 WeakPolarHBondContact O-CB 3.41Å; F38-N42 PolarHBondContact O-N 3.49Å; F38-M718 HydrophobicContact CE1-CE 3.69Å; F38-M718 HydrophobicContact CE2-CE 4.09Å; F38-M718 HydrophobicContact CZ-CE 3.35Å; F38-M718 HydrophobicContact CZ-SD 4.11Å; F38-L722 HydrophobicContact CE1-CD1 4.42Å; F38-L722 HydrophobicContact CE2-CD1 3.51Å; F38-L722 HydrophobicContact CE2-CD2 4.46Å; F38-L722 HydrophobicContact CZ-CD1 3.25Å
39	K	71.8	Confident	66.3	Low	141 Å²	141	76.6 Å²	76.6	61%	0.613	36%	0.36	S	S	*	.	H	α-helix	trans	-61.8	-43	175.8	-74.6	178.9	178.6	-178.1	0	111.1	V35 E36 A37 F43	V35-K39 WeakPolarHBondContact O-CG 3.38Å; V35-K39 PolarHBondContact O-N 2.82Å; E36-K39 PolarHBondContact O-N 3.23Å; A37-K39 PolarHBondContact O-N 2.98Å; K39-F43 VanDerWaalsContact O-CB 3.31Å; K39-F43 WeakPolarHBondContact O-CB 3.46Å; K39-F43 PolarHBondContact O-N 3.28Å
40	R	70.5	Confident	67.3	Low	165 Å²	165	68.7 Å²	68.7	62%	0.623	33%	0.33	S	S	*	.	H	α-helix	trans	-65.9	-41.3	177.5	-67.9	177.9	-155.4	168.2	8.7	112.1	E36 A37 F38 S44	E36-R40 WeakPolarHBondContact O-CG 3.34Å; E36-R40 PolarHBondContact O-N 3.3Å; E36-R40 IonicContact OE2-NH2 2.94Å; E36-R40 PolarHBondContact OE2-NH2 3.02Å; A37-R40 PolarHBondContact O-N 2.86Å; F38-R40 VanDerWaalsContact C-N 3.34Å; F38-R40 PolarHBondContact O-N 3.25Å; R40-S44 WeakPolarHBondContact O-CB 3.45Å; R40-S44 PolarHBondContact O-N 3.04Å
41	E	67.9	Low	67.9	Low	69 Å²	69	66.2 Å²	66.2	32%	0.322	31%	0.313	S	S	.	.	H	α-helix	trans	-66.7	-48.7	177.5	-169.1	-177.3	174.3	0	0	111.5	A37 F38 F43 S44 L45	A37-E41 WeakPolarHBondContact O-CB 3.47Å; A37-E41 PolarHBondContact O-N 3.01Å; F38-E41 PolarHBondContact O-N 3.43Å; E41-F43 VanDerWaalsContact C-N 3.32Å; E41-F43 PolarHBondContact O-N 2.96Å; E41-S44 CarbonylContact O-C 3.59Å; E41-S44 WeakPolarHBondContact O-CA 3.44Å; E41-S44 VanDerWaalsContact O-CB 3.31Å; E41-S44 WeakPolarHBondContact O-CB 3.07Å; E41-S44 PolarHBondContact O-N 3.22Å; E41-L45 HydrophobicContact CG-CD1 4.44Å; E41-L45 WeakPolarHBondContact O-CG 3.35Å; E41-L45 PolarHBondContact O-N 2.97Å
42	N	69.4	Low	68.6	Low	20 Å²	20	66 Å²	66	11%	0.107	31%	0.312	C	S	.	.	H	α-helix	trans	-60.8	-40.3	176.1	-86.3	-23.3	0	0	0	112.2	F38 S44 L45 R46 N736	F38-N42 WeakPolarHBondContact O-CB 3.41Å; F38-N42 PolarHBondContact O-N 3.49Å; N42-S44 VanDerWaalsContact C-N 3.34Å; N42-L45 PolarHBondContact O-N 3.33Å; N42-R46 WeakPolarHBondContact O-CG 3.42Å; N42-R46 PolarHBondContact O-N 3.46Å; N42-N736 PolarHBondContact OD1-ND2 3.15Å
43	F	70.8	Confident	69.2	Low	37 Å²	37	63.5 Å²	63.5	16%	0.162	30%	0.3	C	S	.	.	H	α-helix	trans	-62.3	-43.3	173.2	-176.1	-94.4	0	0	0	111.1	K39 E41 L45 R46 V47 L73 D74 I77 K81	K39-F43 VanDerWaalsContact O-CB 3.31Å; K39-F43 WeakPolarHBondContact O-CB 3.46Å; K39-F43 PolarHBondContact O-N 3.28Å; E41-F43 VanDerWaalsContact C-N 3.32Å; E41-F43 PolarHBondContact O-N 2.96Å; F43-L45 VanDerWaalsContact C-N 3.34Å; F43-L45 PolarHBondContact O-N 3.47Å; F43-R46 PolarHBondContact O-N 3.48Å; F43-V47 HydrophobicContact CD1-CG2 4.12Å; F43-V47 HydrophobicContact CE1-CG2 3.7Å; F43-V47 HydrophobicContact CZ-CG2 4.06Å; F43-V47 VanDerWaalsContact O-CG2 3.27Å; F43-V47 WeakPolarHBondContact O-CG2 3.31Å; F43-V47 PolarHBondContact O-N 2.97Å; F43-V47 VanDerWaalsContact O-N 3.09Å; F43-L73 HydrophobicContact CE2-CD2 4.08Å; F43-L73 HydrophobicContact CZ-CD2 4.29Å; F43-D74 HydrophobicContact CE2-CB 4.42Å; F43-I77 HydrophobicContact CD1-CG2 4.28Å; F43-I77 HydrophobicContact CE1-CB 3.97Å; F43-I77 HydrophobicContact CE1-CG2 3.36Å; F43-I77 HydrophobicContact CZ-CB 3.75Å; F43-I77 HydrophobicContact CZ-CG2 3.7Å; F43-K81 HydrophobicContact CD1-CD 4.44Å; F43-K81 HydrophobicContact CE1-CD 4.13Å
44	S	71.5	Confident	69.5	Low	49 Å²	49	56.9 Å²	56.9	34%	0.343	28%	0.278	S	S	.	.	H	α-helix	trans	-60.1	-42.5	175.5	-158.5	0	0	0	0	112.7	R40 E41 N42 V47 E48	R40-S44 WeakPolarHBondContact O-CB 3.45Å; R40-S44 PolarHBondContact O-N 3.04Å; E41-S44 CarbonylContact O-C 3.59Å; E41-S44 WeakPolarHBondContact O-CA 3.44Å; E41-S44 VanDerWaalsContact O-CB 3.31Å; E41-S44 WeakPolarHBondContact O-CB 3.07Å; E41-S44 PolarHBondContact O-N 3.22Å; N42-S44 VanDerWaalsContact C-N 3.34Å; S44-V47 PolarHBondContact O-N 3.45Å; S44-E48 PolarHBondContact O-N 3.16Å
45	L	70.6	Confident	70	Confident	37 Å²	37	59.6 Å²	59.6	19%	0.194	28%	0.283	C	S	.	.	H	α-helix	trans	-65.4	-40.2	177.1	-72.9	169.8	0	0	0	111.9	E41 N42 F43 V47 E48 V49 V711	E41-L45 HydrophobicContact CG-CD1 4.44Å; E41-L45 WeakPolarHBondContact O-CG 3.35Å; E41-L45 PolarHBondContact O-N 2.97Å; N42-L45 PolarHBondContact O-N 3.33Å; F43-L45 VanDerWaalsContact C-N 3.34Å; F43-L45 PolarHBondContact O-N 3.47Å; L45-V47 PolarHBondContact O-N 3.34Å; L45-E48 PolarHBondContact O-N 3.45Å; L45-V49 WeakPolarHBondContact O-CB 3.33Å; L45-V49 VanDerWaalsContact O-CG2 3.29Å; L45-V49 WeakPolarHBondContact O-CG2 3.36Å; L45-V49 PolarHBondContact O-N 2.85Å; L45-V711 HydrophobicContact CD2-CG2 4.12Å
46	R	73.9	Confident	70	Confident	49 Å²	49	59.5 Å²	59.5	19%	0.185	28%	0.281	C	S	.	.	H	α-helix	trans	-61	-43.6	175.6	-76	166.4	172.2	-171.3	8.8	111.7	N42 F43 E48 Y50 Y71 L73 E735	N42-R46 WeakPolarHBondContact O-CG 3.42Å; N42-R46 PolarHBondContact O-N 3.46Å; F43-R46 PolarHBondContact O-N 3.48Å; R46-E48 VanDerWaalsContact C-N 3.34Å; R46-E48 PolarHBondContact O-N 3.27Å; R46-Y50 WeakPolarHBondContact O-CB 3.34Å; R46-Y50 PolarHBondContact O-N 3.42Å; R46-Y71 HydrophobicContact CB-CD1 4.49Å; R46-Y71 VanDerWaalsContact CD-O 3.31Å; R46-Y71 WeakPolarHBondContact CD-O 3.48Å; R46-L73 HydrophobicContact CB-CD2 3.95Å; R46-E735 IonicContact CZ-OE1 2.7Å; R46-E735 IonicContact NH2-OE1 3.16Å; R46-E735 PolarHBondContact NH2-OE1 2.85Å; R46-E735 IonicContact NH2-OE2 3.01Å
47	V	70.7	Confident	70.2	Confident	11 Å²	11	58.1 Å²	58.1	7%	0.067	27%	0.274	C	S	.	.	H	α-helix	trans	-60.3	-45.2	175.2	176	0	0	0	0	110.5	F43 S44 L45 Y50 Y51 L73 F78 K81	F43-V47 HydrophobicContact CD1-CG2 4.12Å; F43-V47 HydrophobicContact CE1-CG2 3.7Å; F43-V47 HydrophobicContact CZ-CG2 4.06Å; F43-V47 VanDerWaalsContact O-CG2 3.27Å; F43-V47 WeakPolarHBondContact O-CG2 3.31Å; F43-V47 PolarHBondContact O-N 2.97Å; F43-V47 VanDerWaalsContact O-N 3.09Å; S44-V47 PolarHBondContact O-N 3.45Å; L45-V47 PolarHBondContact O-N 3.34Å; V47-Y50 PolarHBondContact O-N 3.24Å; V47-Y51 WeakPolarHBondContact O-CB 3.42Å; V47-Y51 PolarHBondContact O-N 2.86Å; V47-L73 HydrophobicContact CB-CD2 4.34Å; V47-L73 HydrophobicContact CG2-CD2 3.54Å; V47-F78 HydrophobicContact CB-CD2 4.47Å; V47-F78 HydrophobicContact CG1-CD2 4.04Å; V47-F78 HydrophobicContact CG1-CE2 4.04Å; V47-F78 HydrophobicContact CG2-CD2 4.13Å; V47-K81 HydrophobicContact CG1-CB 4.32Å; V47-K81 HydrophobicContact CG2-CD 4.33Å
48	E	70	Confident	70.3	Confident	78 Å²	78	61.4 Å²	61.4	36%	0.364	28%	0.281	S	S	.	.	H	α-helix	trans	-67.1	-43.6	-178.8	-171.2	171.7	-174.4	0	0	112.5	S44 L45 R46 Y51 L52	S44-E48 PolarHBondContact O-N 3.16Å; L45-E48 PolarHBondContact O-N 3.45Å; R46-E48 VanDerWaalsContact C-N 3.34Å; R46-E48 PolarHBondContact O-N 3.27Å; E48-Y51 PolarHBondContact O-N 2.84Å; E48-L52 HydrophobicContact CG-CD1 4.2Å; E48-L52 WeakPolarHBondContact O-CB 3.43Å; E48-L52 VanDerWaalsContact O-CG 3.27Å; E48-L52 WeakPolarHBondContact O-CG 3.3Å; E48-L52 PolarHBondContact O-N 2.88Å
49	V	73.8	Confident	70	Confident	36 Å²	36	62.5 Å²	62.5	22%	0.218	30%	0.297	C	S	.	.	H	α-helix	trans	-63.7	-43	175.9	172.9	0	0	0	0	111.1	L45 L52 K53 Y71	L45-V49 WeakPolarHBondContact O-CB 3.33Å; L45-V49 VanDerWaalsContact O-CG2 3.29Å; L45-V49 WeakPolarHBondContact O-CG2 3.36Å; L45-V49 PolarHBondContact O-N 2.85Å; V49-L52 PolarHBondContact O-N 3.34Å; V49-K53 PolarHBondContact O-N 3.28Å; V49-Y71 HydrophobicContact CB-CE1 4.14Å; V49-Y71 HydrophobicContact CG1-CE1 3.53Å
50	Y	75.3	Confident	69.2	Low	37 Å²	37	58.6 Å²	58.6	15%	0.145	30%	0.297	C	S	.	.	H	α-helix	trans	-60	-51.3	175.8	178.3	-89.3	0	0	0	110.9	R46 V47 L52 K53 T54 P66 P68 Y71 L73 F78	R46-Y50 WeakPolarHBondContact O-CB 3.34Å; R46-Y50 PolarHBondContact O-N 3.42Å; V47-Y50 PolarHBondContact O-N 3.24Å; Y50-L52 VanDerWaalsContact C-N 3.31Å; Y50-L52 PolarHBondContact O-N 2.9Å; Y50-K53 PolarHBondContact O-N 3.07Å; Y50-T54 PolarHBondContact O-N 3.31Å; Y50-T54 PolarHBondContact O-OG1 3.31Å; Y50-P66 HydrophobicContact CD2-CB 3.88Å; Y50-P66 HydrophobicContact CD2-CG 3.98Å; Y50-P66 HydrophobicContact CE2-CB 3.95Å; Y50-P66 HydrophobicContact CE2-CG 3.83Å; Y50-P66 WeakPolarHBondContact CE2-O 3.44Å; Y50-P68 HydrophobicContact CE2-CB 4.13Å; Y50-P68 HydrophobicContact CE2-CG 3.83Å; Y50-P68 WeakPolarHBondContact OH-CG 3.48Å; Y50-Y71 AromaticContact CD2-CD2 3.76Å; Y50-Y71 HydrophobicContact CD2-CD2 3.76Å; Y50-Y71 HydrophobicContact CD2-CE2 4.23Å; Y50-Y71 HydrophobicContact CD2-CG 4.44Å; Y50-L73 HydrophobicContact CD1-CD1 4.26Å; Y50-L73 HydrophobicContact CD2-CD1 4.04Å; Y50-L73 HydrophobicContact CG-CD1 3.71Å; Y50-F78 HydrophobicContact CD1-CE1 4.35Å; Y50-F78 AromaticContact CD1-CE2 3.52Å; Y50-F78 HydrophobicContact CD1-CE2 3.52Å; Y50-F78 AromaticContact CD1-CZ 3.29Å; Y50-F78 HydrophobicContact CD1-CZ 3.29Å; Y50-F78 HydrophobicContact CE1-CE1 4.01Å; Y50-F78 HydrophobicContact CE1-CE2 4.03Å; Y50-F78 AromaticContact CE1-CZ 3.31Å; Y50-F78 HydrophobicContact CE1-CZ 3.31Å; Y50-F78 HydrophobicContact CG-CE2 4.27Å; Y50-F78 HydrophobicContact CG-CZ 4.36Å
51	Y	70.4	Confident	68	Low	53 Å²	53	53.3 Å²	53.3	21%	0.208	28%	0.28	C	S	.	.	H	α-helix	trans	-55.8	-44.8	177.2	176.5	-101.5	0	0	0	112.2	V47 E48 T54 R55 L82 L89	V47-Y51 WeakPolarHBondContact O-CB 3.42Å; V47-Y51 PolarHBondContact O-N 2.86Å; E48-Y51 PolarHBondContact O-N 2.84Å; Y51-T54 WeakPolarHBondContact O-CB 3.47Å; Y51-T54 PolarHBondContact O-N 3.45Å; Y51-R55 HydrophobicContact CD1-CG 4.42Å; Y51-R55 HydrophobicContact CE1-CG 3.99Å; Y51-R55 HydrophobicContact CE2-CG 4.28Å; Y51-R55 WeakPolarHBondContact O-CG 3.32Å; Y51-R55 PolarHBondContact O-N 3.12Å; Y51-R55 PolarHBondContact OH-NE 3.37Å; Y51-R55 PolarHBondContact OH-NH2 2.85Å; Y51-L82 HydrophobicContact CD2-CD1 4.13Å; Y51-L89 HydrophobicContact CE1-CD1 4.43Å; Y51-L89 VanDerWaalsContact OH-CD1 3.31Å; Y51-L89 WeakPolarHBondContact OH-CD1 3.47Å
52	L	69.1	Low	67.2	Low	48 Å²	48	52.4 Å²	52.4	25%	0.251	28%	0.28	S	S	.	.	H	α-helix	trans	-64.7	-43.9	177.7	-73	170.1	0	0	0	112.5	E48 V49 Y50 T54 R55 L56 L704	E48-L52 HydrophobicContact CG-CD1 4.2Å; E48-L52 WeakPolarHBondContact O-CB 3.43Å; E48-L52 VanDerWaalsContact O-CG 3.27Å; E48-L52 WeakPolarHBondContact O-CG 3.3Å; E48-L52 PolarHBondContact O-N 2.88Å; V49-L52 PolarHBondContact O-N 3.34Å; Y50-L52 VanDerWaalsContact C-N 3.31Å; Y50-L52 PolarHBondContact O-N 2.9Å; L52-T54 VanDerWaalsContact C-N 3.28Å; L52-T54 PolarHBondContact O-N 2.95Å; L52-R55 PolarHBondContact O-N 2.9Å; L52-L56 VanDerWaalsContact O-CG 3.3Å; L52-L56 WeakPolarHBondContact O-CG 3.43Å; L52-L56 PolarHBondContact O-N 2.9Å; L52-L704 HydrophobicContact CD2-CD1 4.12Å
53	K	74.1	Confident	65.8	Low	44 Å²	44	61.3 Å²	61.3	19%	0.191	32%	0.318	C	S	.	.	H	α-helix	trans	-62.8	-35.7	175	-79.4	-162.7	-177.1	176.8	0	111.4	V49 Y50 L56 H57 P66 Y71 E742	V49-K53 PolarHBondContact O-N 3.28Å; Y50-K53 PolarHBondContact O-N 3.07Å; K53-L56 PolarHBondContact O-N 3.46Å; K53-H57 WeakPolarHBondContact O-CB 3.49Å; K53-H57 PolarHBondContact O-N 3.49Å; K53-P66 HydrophobicContact CB-CB 3.69Å; K53-P66 HydrophobicContact CB-CG 3.64Å; K53-P66 HydrophobicContact CD-CB 4.16Å; K53-Y71 WeakPolarHBondContact CD-OH 3.44Å; K53-Y71 WeakPolarHBondContact CE-OH 3.39Å; K53-Y71 PolarHBondContact NZ-OH 3.48Å; K53-E742 IonicContact NZ-OE1 3.47Å; K53-E742 PolarHBondContact NZ-OE1 3.24Å
54	T	72.2	Confident	65.2	Low	31 Å²	31	70 Å²	70	19%	0.19	35%	0.35	C	S	.	.	H	α-helix	trans	-64.7	-46.5	174.7	-56.2	0	0	0	0	111.1	Y50 Y51 L52 L56 H57 E58 P66	Y50-T54 PolarHBondContact O-N 3.31Å; Y50-T54 PolarHBondContact O-OG1 3.31Å; Y51-T54 WeakPolarHBondContact O-CB 3.47Å; Y51-T54 PolarHBondContact O-N 3.45Å; L52-T54 VanDerWaalsContact C-N 3.28Å; L52-T54 PolarHBondContact O-N 2.95Å; T54-L56 VanDerWaalsContact C-N 3.31Å; T54-L56 PolarHBondContact O-N 3.38Å; T54-H57 WeakPolarHBondContact O-CB 3.37Å; T54-H57 PolarHBondContact O-N 3.47Å; T54-H57 VanDerWaalsContact O-N 3.12Å; T54-E58 WeakPolarHBondContact O-CG 3.36Å; T54-E58 PolarHBondContact O-N 3.46Å; T54-P66 VanDerWaalsContact OG1-CG 3.27Å; T54-P66 WeakPolarHBondContact OG1-CG 3.38Å
55	R	68.3	Low	64.8	Low	108 Å²	108	71.2 Å²	71.2	41%	0.408	36%	0.359	S	S	.	.	H	α-helix	trans	-62.9	-35.3	174.9	-67.9	-55.5	-165.1	-178.2	-0.6	113	Y51 L52 H57 E58 A59	Y51-R55 HydrophobicContact CD1-CG 4.42Å; Y51-R55 HydrophobicContact CE1-CG 3.99Å; Y51-R55 HydrophobicContact CE2-CG 4.28Å; Y51-R55 WeakPolarHBondContact O-CG 3.32Å; Y51-R55 PolarHBondContact O-N 3.12Å; Y51-R55 PolarHBondContact OH-NE 3.37Å; Y51-R55 PolarHBondContact OH-NH2 2.85Å; L52-R55 PolarHBondContact O-N 2.9Å; R55-H57 VanDerWaalsContact C-N 3.34Å; R55-E58 WeakPolarHBondContact CD-OE2 3.46Å; R55-E58 IonicContact CZ-OE2 3.81Å; R55-E58 IonicContact NE-OE2 3.81Å; R55-E58 IonicContact NH1-OE2 2.68Å; R55-E58 PolarHBondContact NH1-OE2 3.1Å; R55-A59 VanDerWaalsContact O-CB 3.24Å; R55-A59 WeakPolarHBondContact O-CB 3.34Å; R55-A59 PolarHBondContact O-N 2.96Å
56	L	66.3	Low	64.8	Low	43 Å²	43	70 Å²	70	23%	0.225	35%	0.352	C	S	.	.	H	α-helix	trans	-66.7	-36.5	173.7	-73.2	173.5	0	0	0	112.1	L52 K53 T54 G60 I61 T62 L750	L52-L56 VanDerWaalsContact O-CG 3.3Å; L52-L56 WeakPolarHBondContact O-CG 3.43Å; L52-L56 PolarHBondContact O-N 2.9Å; K53-L56 PolarHBondContact O-N 3.46Å; T54-L56 VanDerWaalsContact C-N 3.31Å; T54-L56 PolarHBondContact O-N 3.38Å; L56-G60 PolarHBondContact O-N 2.76Å; L56-I61 HydrophobicContact CD2-CB 4.34Å; L56-I61 HydrophobicContact CD2-CD1 3.8Å; L56-I61 HydrophobicContact CD2-CG2 4.42Å; L56-I61 WeakPolarHBondContact O-CB 3.5Å; L56-I61 PolarHBondContact O-N 2.82Å; L56-T62 HydrophobicContact CB-CG2 4.24Å; L56-T62 PolarHBondContact O-N 2.82Å; L56-L750 HydrophobicContact CD2-CD1 3.72Å
57	H	71.4	Confident	64.8	Low	72 Å²	72	70.6 Å²	70.6	33%	0.333	36%	0.359	S	S	.	.	H	α-helix	trans	-69.1	-47	174.1	-178.4	60.7	0	0	0	111.6	K53 T54 R55 A59 G60 T62	K53-H57 WeakPolarHBondContact O-CB 3.49Å; K53-H57 PolarHBondContact O-N 3.49Å; T54-H57 WeakPolarHBondContact O-CB 3.37Å; T54-H57 PolarHBondContact O-N 3.47Å; T54-H57 VanDerWaalsContact O-N 3.12Å; R55-H57 VanDerWaalsContact C-N 3.34Å; H57-A59 PolarHBondContact O-N 2.85Å; H57-G60 WeakPolarHBondContact O-CA 3.3Å; H57-G60 PolarHBondContact O-N 3.33Å; H57-T62 WeakPolarHBondContact CA-OG1 3.31Å; H57-T62 PolarHBondContact N-OG1 3.37Å; H57-T62 PolarHBondContact ND1-O 3Å
58	E	67.9	Low	64.7	Low	121 Å²	121	72.9 Å²	72.9	57%	0.565	38%	0.375	S	S	*	.	H	α-helix	trans	-57.8	-34.6	173.8	-72.5	172.8	-171.9	0	0	112.3	T54 R55 G60	T54-E58 WeakPolarHBondContact O-CG 3.36Å; T54-E58 PolarHBondContact O-N 3.46Å; R55-E58 WeakPolarHBondContact CD-OE2 3.46Å; R55-E58 IonicContact CZ-OE2 3.81Å; R55-E58 IonicContact NE-OE2 3.81Å; R55-E58 IonicContact NH1-OE2 2.68Å; R55-E58 PolarHBondContact NH1-OE2 3.1Å; E58-G60 PolarHBondContact O-N 2.79Å
59	A	55.1	Low	64.7	Low	63 Å²	63	77 Å²	77	52%	0.521	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	2	174.6	0	0	0	0	0	114.2	R55 H57 I61	R55-A59 VanDerWaalsContact O-CB 3.24Å; R55-A59 WeakPolarHBondContact O-CB 3.34Å; R55-A59 PolarHBondContact O-N 2.96Å; H57-A59 PolarHBondContact O-N 2.85Å; A59-I61 VanDerWaalsContact C-N 3.31Å; A59-I61 HydrophobicContact CB-CD1 4.06Å; A59-I61 HydrophobicContact CB-CG1 4.1Å; A59-I61 PolarHBondContact O-N 2.87Å
60	G	53.7	Low	64.5	Low	60 Å²	60	81.8 Å²	81.8	62%	0.619	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	17.7	179	0	0	0	0	0	114.8	L56 H57 E58	L56-G60 PolarHBondContact O-N 2.76Å; H57-G60 WeakPolarHBondContact O-CA 3.3Å; H57-G60 PolarHBondContact O-N 3.33Å; E58-G60 PolarHBondContact O-N 2.79Å
61	I	46.4	Very low	64	Low	53 Å²	53	80.9 Å²	80.9	27%	0.272	41%	0.41	S	S	.	.			trans	-87.9	-39	-174.2	-58.3	177	0	0	0	111.3	L56 A59 L750 K753	L56-I61 HydrophobicContact CD2-CB 4.34Å; L56-I61 HydrophobicContact CD2-CD1 3.8Å; L56-I61 HydrophobicContact CD2-CG2 4.42Å; L56-I61 WeakPolarHBondContact O-CB 3.5Å; L56-I61 PolarHBondContact O-N 2.82Å; A59-I61 VanDerWaalsContact C-N 3.31Å; A59-I61 HydrophobicContact CB-CD1 4.06Å; A59-I61 HydrophobicContact CB-CG1 4.1Å; A59-I61 PolarHBondContact O-N 2.87Å; I61-L750 HydrophobicContact CD1-CD1 4.18Å; I61-L750 HydrophobicContact CG2-CD1 3.66Å; I61-K753 HydrophobicContact CG2-CD 4.45Å; I61-K753 PolarHBondContact O-NZ 2.91Å
62	T	49.7	Very low	64	Low	50 Å²	50	85.7 Å²	85.7	31%	0.307	43%	0.432	S	S	.	.	S	Bend	trans	-109.5	135.4	177.9	50.8	0	0	0	0	111.4	L56 H57 R64	L56-T62 HydrophobicContact CB-CG2 4.24Å; L56-T62 PolarHBondContact O-N 2.82Å; H57-T62 WeakPolarHBondContact CA-OG1 3.31Å; H57-T62 PolarHBondContact N-OG1 3.37Å; H57-T62 PolarHBondContact ND1-O 3Å; T62-R64 VanDerWaalsContact C-N 3.31Å; T62-R64 PolarHBondContact O-N 3.46Å
63	F	40	Very low	63.8	Low	208 Å²	208	84.4 Å²	84.4	91%	0.912	43%	0.425	S	S	*	.	S	Bend	trans	-72.3	-17.3	-175.7	-95.7	-86.8	0	0	0	115
64	R	58.3	Low	63.4	Low	218 Å²	218	86.2 Å²	86.2	82%	0.823	44%	0.438	S	S	*	.	S	Bend	trans	-125.3	138.6	-179.5	-69.6	-174.1	178	179.8	-1	110.2	T62	T62-R64 VanDerWaalsContact C-N 3.31Å; T62-R64 PolarHBondContact O-N 3.46Å
65	S	63.4	Low	63	Low	76 Å²	76	88.3 Å²	88.3	53%	0.531	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-62.8	139.2	165.2	61.8	0	0	0	0	108.7	D67	S65-D67 PolarHBondContact O-N 2.9Å
66	P	71.3	Confident	63	Low	10 Å²	10	88.3 Å²	88.3	7%	0.065	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-61.1	138.6	171.6	27.7	-34.1	0	0	0	109.7	Y50 K53 T54 Y71	Y50-P66 HydrophobicContact CD2-CB 3.88Å; Y50-P66 HydrophobicContact CD2-CG 3.98Å; Y50-P66 HydrophobicContact CE2-CB 3.95Å; Y50-P66 HydrophobicContact CE2-CG 3.83Å; Y50-P66 WeakPolarHBondContact CE2-O 3.44Å; K53-P66 HydrophobicContact CB-CB 3.69Å; K53-P66 HydrophobicContact CB-CG 3.64Å; K53-P66 HydrophobicContact CD-CB 4.16Å; T54-P66 VanDerWaalsContact OG1-CG 3.27Å; T54-P66 WeakPolarHBondContact OG1-CG 3.38Å; P66-Y71 HydrophobicContact CB-CE2 4.06Å
67	D	72.5	Confident	63	Low	62 Å²	62	89.8 Å²	89.8	33%	0.332	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-85.2	121.3	176.1	179.8	-3.8	0	0	0	109.3	S65 E69 Q70 Y71	S65-D67 PolarHBondContact O-N 2.9Å; D67-E69 PolarHBondContact O-N 3.38Å; D67-E69 PolarHBondContact OD1-N 3.11Å; D67-Q70 HydrophobicContact CB-CB 4.44Å; D67-Q70 HydrophobicContact CB-CG 3.9Å; D67-Q70 PolarHBondContact O-N 2.95Å; D67-Y71 WeakPolarHBondContact O-CD2 3.37Å
68	P	69.5	Low	62.6	Low	60 Å²	60	87.9 Å²	87.9	39%	0.39	47%	0.468	S	S	.	.	G	3₁₀ helix	trans	-54.2	-34.5	177.5	-21.9	28.8	0	0	0	113.8	Y50 Q70 Y71	Y50-P68 HydrophobicContact CE2-CB 4.13Å; Y50-P68 HydrophobicContact CE2-CG 3.83Å; Y50-P68 WeakPolarHBondContact OH-CG 3.48Å; P68-Q70 VanDerWaalsContact C-N 3.33Å; P68-Q70 PolarHBondContact O-N 3.4Å; P68-Y71 PolarHBondContact O-N 2.94Å
69	E	69.5	Low	62.8	Low	164 Å²	164	88.3 Å²	88.3	77%	0.766	47%	0.468	S	S	*	.	G	3₁₀ helix	trans	-68	-34.8	-175.9	-66.1	-169.7	172.6	0	0	111.8	D67 Y71 K72	D67-E69 PolarHBondContact O-N 3.38Å; D67-E69 PolarHBondContact OD1-N 3.11Å; E69-Y71 PolarHBondContact O-N 3.11Å; E69-Y71 VanDerWaalsContact O-N 3.17Å; E69-K72 PolarHBondContact O-N 3.13Å
70	Q	69.2	Low	63.7	Low	137 Å²	137	90.7 Å²	90.7	64%	0.64	47%	0.468	S	S	*	.	G	3₁₀ helix	trans	-60.7	-27.4	176	-69.2	179.1	5.9	0	0	112.4	D67 P68	D67-Q70 HydrophobicContact CB-CB 4.44Å; D67-Q70 HydrophobicContact CB-CG 3.9Å; D67-Q70 PolarHBondContact O-N 2.95Å; P68-Q70 VanDerWaalsContact C-N 3.33Å; P68-Q70 PolarHBondContact O-N 3.4Å
71	Y	65.9	Low	64.4	Low	18 Å²	18	90.5 Å²	90.5	7%	0.071	45%	0.45	C	S	.	.	G	3₁₀ helix	trans	-93.7	0.3	-179.7	-68.8	-81.6	0	0	0	113.4	R46 V49 Y50 K53 P66 D67 P68 E69 L73	R46-Y71 HydrophobicContact CB-CD1 4.49Å; R46-Y71 VanDerWaalsContact CD-O 3.31Å; R46-Y71 WeakPolarHBondContact CD-O 3.48Å; V49-Y71 HydrophobicContact CB-CE1 4.14Å; V49-Y71 HydrophobicContact CG1-CE1 3.53Å; Y50-Y71 AromaticContact CD2-CD2 3.76Å; Y50-Y71 HydrophobicContact CD2-CD2 3.76Å; Y50-Y71 HydrophobicContact CD2-CE2 4.23Å; Y50-Y71 HydrophobicContact CD2-CG 4.44Å; K53-Y71 WeakPolarHBondContact CD-OH 3.44Å; K53-Y71 WeakPolarHBondContact CE-OH 3.39Å; K53-Y71 PolarHBondContact NZ-OH 3.48Å; P66-Y71 HydrophobicContact CB-CE2 4.06Å; D67-Y71 WeakPolarHBondContact O-CD2 3.37Å; P68-Y71 PolarHBondContact O-N 2.94Å; E69-Y71 PolarHBondContact O-N 3.11Å; E69-Y71 VanDerWaalsContact O-N 3.17Å; Y71-L73 HydrophobicContact CG-CD1 4.44Å; Y71-L73 PolarHBondContact O-N 3.37Å
72	K	69.6	Low	65.5	Low	153 Å²	153	90.1 Å²	90.1	67%	0.665	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.1	44	-177.3	-59.4	176.6	179.4	175.2	0	111.4	E69	E69-K72 PolarHBondContact O-N 3.13Å
73	L	64.9	Low	66.7	Low	21 Å²	21	91.8 Å²	91.8	11%	0.11	45%	0.453	C	S	.	.			trans	-84.3	115.8	-178.8	-70	168.8	0	0	0	108.9	F43 R46 V47 Y50 Y71 A75 F78	F43-L73 HydrophobicContact CE2-CD2 4.08Å; F43-L73 HydrophobicContact CZ-CD2 4.29Å; R46-L73 HydrophobicContact CB-CD2 3.95Å; V47-L73 HydrophobicContact CB-CD2 4.34Å; V47-L73 HydrophobicContact CG2-CD2 3.54Å; Y50-L73 HydrophobicContact CD1-CD1 4.26Å; Y50-L73 HydrophobicContact CD2-CD1 4.04Å; Y50-L73 HydrophobicContact CG-CD1 3.71Å; Y71-L73 HydrophobicContact CG-CD1 4.44Å; Y71-L73 PolarHBondContact O-N 3.37Å; L73-A75 PolarHBondContact O-N 3.47Å; L73-F78 HydrophobicContact CB-CB 4.28Å; L73-F78 HydrophobicContact CB-CD2 4.3Å; L73-F78 HydrophobicContact CB-CG 4.37Å; L73-F78 HydrophobicContact CD1-CD2 3.69Å; L73-F78 HydrophobicContact CD1-CE2 3.81Å; L73-F78 HydrophobicContact CD1-CG 4.43Å; L73-F78 HydrophobicContact CD2-CD2 4.12Å; L73-F78 HydrophobicContact CG-CD2 4.25Å
74	D	66.7	Low	68.3	Low	83 Å²	83	87 Å²	87	44%	0.444	43%	0.434	S	S	.	.			trans	-61.5	118.3	168.6	-175	-24.3	0	0	0	108.6	F43 V76 I77 F78	F43-D74 HydrophobicContact CE2-CB 4.42Å; D74-V76 PolarHBondContact O-N 3.26Å; D74-V76 VanDerWaalsContact O-N 3.16Å; D74-V76 PolarHBondContact OD1-N 3.37Å; D74-V76 VanDerWaalsContact OD1-N 3.16Å; D74-I77 HydrophobicContact CB-CB 4.43Å; D74-I77 HydrophobicContact CB-CD1 4.26Å; D74-I77 HydrophobicContact CB-CG1 4.27Å; D74-I77 PolarHBondContact O-N 2.89Å; D74-F78 WeakPolarHBondContact O-CB 3.29Å; D74-F78 PolarHBondContact O-N 3.1Å
75	A	63.1	Low	69	Low	75 Å²	75	82.2 Å²	82.2	62%	0.62	42%	0.418	S	S	*	.	H	α-helix	trans	-55.7	-34.6	-172.8	0	0	0	0	0	112.9	L73 K79	L73-A75 PolarHBondContact O-N 3.47Å; A75-K79 WeakPolarHBondContact O-CB 3.44Å; A75-K79 PolarHBondContact O-N 2.87Å; A75-K79 VanDerWaalsContact O-N 3.12Å
76	V	68.9	Low	69.4	Low	108 Å²	108	83.1 Å²	83.1	66%	0.655	41%	0.414	S	S	*	.	H	α-helix	trans	-73	-50.2	-177.6	-178.3	0	0	0	0	110.6	D74 F78 K79 Q80	D74-V76 PolarHBondContact O-N 3.26Å; D74-V76 VanDerWaalsContact O-N 3.16Å; D74-V76 PolarHBondContact OD1-N 3.37Å; D74-V76 VanDerWaalsContact OD1-N 3.16Å; V76-F78 VanDerWaalsContact C-N 3.32Å; V76-F78 PolarHBondContact O-N 3.44Å; V76-K79 PolarHBondContact O-N 3.42Å; V76-Q80 PolarHBondContact O-N 3.45Å
77	I	65.8	Low	69.7	Low	73 Å²	73	90 Å²	90	37%	0.374	44%	0.443	S	S	.	.	H	α-helix	trans	-70.2	-35.1	-178.7	-50.5	178.4	0	0	0	110.3	F43 D74 K81	F43-I77 HydrophobicContact CD1-CG2 4.28Å; F43-I77 HydrophobicContact CE1-CB 3.97Å; F43-I77 HydrophobicContact CE1-CG2 3.36Å; F43-I77 HydrophobicContact CZ-CB 3.75Å; F43-I77 HydrophobicContact CZ-CG2 3.7Å; D74-I77 HydrophobicContact CB-CB 4.43Å; D74-I77 HydrophobicContact CB-CD1 4.26Å; D74-I77 HydrophobicContact CB-CG1 4.27Å; D74-I77 PolarHBondContact O-N 2.89Å; I77-K81 WeakPolarHBondContact O-CB 3.42Å; I77-K81 PolarHBondContact O-N 2.91Å
78	F	63	Low	69.8	Low	33 Å²	33	92 Å²	92	15%	0.145	45%	0.451	C	S	.	.	H	α-helix	trans	-60.8	-50.1	175.5	177.4	-105.4	0	0	0	111.5	V47 Y50 L73 D74 V76 Q80 K81 L82	V47-F78 HydrophobicContact CB-CD2 4.47Å; V47-F78 HydrophobicContact CG1-CD2 4.04Å; V47-F78 HydrophobicContact CG1-CE2 4.04Å; V47-F78 HydrophobicContact CG2-CD2 4.13Å; Y50-F78 HydrophobicContact CD1-CE1 4.35Å; Y50-F78 AromaticContact CD1-CE2 3.52Å; Y50-F78 HydrophobicContact CD1-CE2 3.52Å; Y50-F78 AromaticContact CD1-CZ 3.29Å; Y50-F78 HydrophobicContact CD1-CZ 3.29Å; Y50-F78 HydrophobicContact CE1-CE1 4.01Å; Y50-F78 HydrophobicContact CE1-CE2 4.03Å; Y50-F78 AromaticContact CE1-CZ 3.31Å; Y50-F78 HydrophobicContact CE1-CZ 3.31Å; Y50-F78 HydrophobicContact CG-CE2 4.27Å; Y50-F78 HydrophobicContact CG-CZ 4.36Å; L73-F78 HydrophobicContact CB-CB 4.28Å; L73-F78 HydrophobicContact CB-CD2 4.3Å; L73-F78 HydrophobicContact CB-CG 4.37Å; L73-F78 HydrophobicContact CD1-CD2 3.69Å; L73-F78 HydrophobicContact CD1-CE2 3.81Å; L73-F78 HydrophobicContact CD1-CG 4.43Å; L73-F78 HydrophobicContact CD2-CD2 4.12Å; L73-F78 HydrophobicContact CG-CD2 4.25Å; D74-F78 WeakPolarHBondContact O-CB 3.29Å; D74-F78 PolarHBondContact O-N 3.1Å; V76-F78 VanDerWaalsContact C-N 3.32Å; V76-F78 PolarHBondContact O-N 3.44Å; F78-Q80 VanDerWaalsContact C-N 3.35Å; F78-Q80 PolarHBondContact O-N 2.9Å; F78-K81 PolarHBondContact O-N 3.05Å; F78-L82 HydrophobicContact CE1-CD1 4.23Å; F78-L82 HydrophobicContact CE2-CD1 4.2Å; F78-L82 HydrophobicContact CZ-CD1 3.67Å; F78-L82 WeakPolarHBondContact O-CB 3.39Å; F78-L82 PolarHBondContact O-N 3.31Å
79	K	72	Confident	69.8	Low	130 Å²	130	91.1 Å²	91.1	57%	0.565	44%	0.442	S	S	*	.	H	α-helix	trans	-60.4	-44.4	179.7	-170.7	178.3	178.6	-176.9	0	111.9	A75 V76 L82 E83	A75-K79 WeakPolarHBondContact O-CB 3.44Å; A75-K79 PolarHBondContact O-N 2.87Å; A75-K79 VanDerWaalsContact O-N 3.12Å; V76-K79 PolarHBondContact O-N 3.42Å; K79-L82 WeakPolarHBondContact O-CB 3.3Å; K79-L82 PolarHBondContact O-N 3.46Å; K79-E83 WeakPolarHBondContact CE-OE1 3.31Å; K79-E83 WeakPolarHBondContact O-CG 3.32Å; K79-E83 PolarHBondContact O-N 2.86Å
80	Q	73.5	Confident	69.9	Low	112 Å²	112	86.8 Å²	86.8	52%	0.523	43%	0.43	S	S	.	.	H	α-helix	trans	-62.9	-46.1	178.5	-172.2	177.2	-0.1	0	0	112.2	V76 F78 L82 E83 E84	V76-Q80 PolarHBondContact O-N 3.45Å; F78-Q80 VanDerWaalsContact C-N 3.35Å; F78-Q80 PolarHBondContact O-N 2.9Å; Q80-L82 VanDerWaalsContact C-N 3.31Å; Q80-L82 PolarHBondContact O-N 2.93Å; Q80-E83 PolarHBondContact O-N 2.98Å; Q80-E84 WeakPolarHBondContact O-CG 3.46Å; Q80-E84 PolarHBondContact O-N 3.31Å
81	K	70.2	Confident	70.3	Confident	57 Å²	57	82.8 Å²	82.8	25%	0.248	42%	0.418	C	S	.	.	H	α-helix	trans	-67.1	-32.5	177.1	-78.7	-163.7	175.9	-170	0	112.9	F43 V47 I77 F78 K85	F43-K81 HydrophobicContact CD1-CD 4.44Å; F43-K81 HydrophobicContact CE1-CD 4.13Å; V47-K81 HydrophobicContact CG1-CB 4.32Å; V47-K81 HydrophobicContact CG2-CD 4.33Å; I77-K81 WeakPolarHBondContact O-CB 3.42Å; I77-K81 PolarHBondContact O-N 2.91Å; F78-K81 PolarHBondContact O-N 3.05Å; K81-K85 WeakPolarHBondContact O-CB 3.38Å; K81-K85 WeakPolarHBondContact O-CG 3.49Å; K81-K85 PolarHBondContact O-N 3.2Å
82	L	68.7	Low	70.6	Confident	45 Å²	45	85.1 Å²	85.1	24%	0.236	43%	0.431	C	S	.	.	H	α-helix	trans	-64.3	-48.4	174.9	-162.4	96.4	0	0	0	110.3	Y51 F78 K79 Q80 E84 K85 E86	Y51-L82 HydrophobicContact CD2-CD1 4.13Å; F78-L82 HydrophobicContact CE1-CD1 4.23Å; F78-L82 HydrophobicContact CE2-CD1 4.2Å; F78-L82 HydrophobicContact CZ-CD1 3.67Å; F78-L82 WeakPolarHBondContact O-CB 3.39Å; F78-L82 PolarHBondContact O-N 3.31Å; K79-L82 WeakPolarHBondContact O-CB 3.3Å; K79-L82 PolarHBondContact O-N 3.46Å; Q80-L82 VanDerWaalsContact C-N 3.31Å; Q80-L82 PolarHBondContact O-N 2.93Å; L82-E84 PolarHBondContact O-N 2.68Å; L82-K85 PolarHBondContact O-N 3.46Å; L82-K85 VanDerWaalsContact O-N 3.17Å; L82-E86 WeakPolarHBondContact O-CG 3.44Å; L82-E86 PolarHBondContact O-N 2.98Å
83	E	74.2	Confident	70.6	Confident	85 Å²	85	82.9 Å²	82.9	40%	0.397	42%	0.423	S	S	.	.	H	α-helix	trans	-62.5	-39.9	177.5	-72.6	176.3	-165.3	0	0	112.3	K79 Q80 E86 K87	K79-E83 WeakPolarHBondContact CE-OE1 3.31Å; K79-E83 WeakPolarHBondContact O-CG 3.32Å; K79-E83 PolarHBondContact O-N 2.86Å; Q80-E83 PolarHBondContact O-N 2.98Å; E83-E86 PolarHBondContact O-N 3.09Å; E83-K87 WeakPolarHBondContact O-CB 3.45Å; E83-K87 WeakPolarHBondContact O-CG 3.38Å; E83-K87 PolarHBondContact O-N 3.34Å
84	E	74.4	Confident	71.1	Confident	108 Å²	108	87 Å²	87	51%	0.505	44%	0.443	S	S	.	.	H	α-helix	trans	-62.4	-41.8	173.5	-77.2	176.1	-173.1	0	0	111.8	Q80 L82 Q88	Q80-E84 WeakPolarHBondContact O-CG 3.46Å; Q80-E84 PolarHBondContact O-N 3.31Å; L82-E84 PolarHBondContact O-N 2.68Å; E84-Q88 WeakPolarHBondContact O-CB 3.47Å; E84-Q88 PolarHBondContact O-N 3.48Å
85	K	71.9	Confident	71.4	Confident	116 Å²	116	88.2 Å²	88.2	50%	0.504	45%	0.446	S	S	.	.	H	α-helix	trans	-70	-38.6	177.9	-78	-65.7	-177.5	-171.2	0	113	K81 L82 Q88 L89	K81-K85 WeakPolarHBondContact O-CB 3.38Å; K81-K85 WeakPolarHBondContact O-CG 3.49Å; K81-K85 PolarHBondContact O-N 3.2Å; L82-K85 PolarHBondContact O-N 3.46Å; L82-K85 VanDerWaalsContact O-N 3.17Å; K85-Q88 PolarHBondContact O-N 2.93Å; K85-L89 WeakPolarHBondContact O-CB 3.33Å; K85-L89 VanDerWaalsContact O-CG 3.32Å; K85-L89 WeakPolarHBondContact O-CG 3.5Å; K85-L89 PolarHBondContact O-N 2.97Å
86	E	72	Confident	71.9	Confident	95 Å²	95	88.5 Å²	88.5	44%	0.444	44%	0.437	S	S	.	.	H	α-helix	trans	-63.8	-43.1	174	-76.3	-176.5	163.1	0	0	111.7	L82 E83 Q88 L89 S90	L82-E86 WeakPolarHBondContact O-CG 3.44Å; L82-E86 PolarHBondContact O-N 2.98Å; E83-E86 PolarHBondContact O-N 3.09Å; E86-Q88 PolarHBondContact O-N 3.34Å; E86-L89 PolarHBondContact O-N 2.99Å; E86-S90 WeakPolarHBondContact O-CB 3.4Å; E86-S90 PolarHBondContact O-N 2.84Å
87	K	77.5	Confident	72	Confident	154 Å²	154	86.5 Å²	86.5	67%	0.67	43%	0.432	S	S	*	.	H	α-helix	trans	-61.4	-42.8	174.2	-75.5	173.8	-177.5	170.6	0	112.1	E83 S90 S91	E83-K87 WeakPolarHBondContact O-CB 3.45Å; E83-K87 WeakPolarHBondContact O-CG 3.38Å; E83-K87 PolarHBondContact O-N 3.34Å; K87-S90 PolarHBondContact O-N 2.88Å; K87-S91 PolarHBondContact O-N 2.93Å
88	Q	76.4	Confident	72.5	Confident	106 Å²	106	89.2 Å²	89.2	50%	0.495	44%	0.441	S	S	.	.	H	α-helix	trans	-66.3	-42.7	178.8	-168.2	159.5	25.7	0	0	111.8	E84 K85 E86 S91 D92	E84-Q88 WeakPolarHBondContact O-CB 3.47Å; E84-Q88 PolarHBondContact O-N 3.48Å; K85-Q88 PolarHBondContact O-N 2.93Å; E86-Q88 PolarHBondContact O-N 3.34Å; Q88-S91 PolarHBondContact O-N 3.29Å; Q88-D92 PolarHBondContact O-N 3.48Å
89	L	69.6	Low	73.2	Confident	40 Å²	40	92 Å²	92	21%	0.209	46%	0.456	C	S	.	.	H	α-helix	trans	-63.7	-43.1	175.5	-75.2	166.7	0	0	0	112.1	Y51 K85 E86 S91 D92 E93 W699	Y51-L89 HydrophobicContact CE1-CD1 4.43Å; Y51-L89 VanDerWaalsContact OH-CD1 3.31Å; Y51-L89 WeakPolarHBondContact OH-CD1 3.47Å; K85-L89 WeakPolarHBondContact O-CB 3.33Å; K85-L89 VanDerWaalsContact O-CG 3.32Å; K85-L89 WeakPolarHBondContact O-CG 3.5Å; K85-L89 PolarHBondContact O-N 2.97Å; E86-L89 PolarHBondContact O-N 2.99Å; L89-S91 VanDerWaalsContact C-N 3.32Å; L89-S91 PolarHBondContact O-N 2.83Å; L89-D92 PolarHBondContact O-N 2.95Å; L89-E93 WeakPolarHBondContact O-CB 3.5Å; L89-E93 WeakPolarHBondContact O-CG 3.14Å; L89-E93 PolarHBondContact O-N 2.93Å; L89-W699 HydrophobicContact CD2-CH2 3.81Å
90	S	71.4	Confident	73.4	Confident	74 Å²	74	87.1 Å²	87.1	52%	0.517	44%	0.442	S	S	.	.	H	α-helix	trans	-62.1	-39.1	177	-175.8	0	0	0	0	112.2	E86 K87 M94	E86-S90 WeakPolarHBondContact O-CB 3.4Å; E86-S90 PolarHBondContact O-N 2.84Å; K87-S90 PolarHBondContact O-N 2.88Å; S90-M94 WeakPolarHBondContact O-CB 3.34Å; S90-M94 PolarHBondContact O-N 3.39Å
91	S	75.9	Confident	73.4	Confident	53 Å²	53	86.8 Å²	86.8	37%	0.371	44%	0.444	S	S	.	.	H	α-helix	trans	-63.7	-46.7	173	173	0	0	0	0	112.1	K87 Q88 L89 M94 Q95	K87-S91 PolarHBondContact O-N 2.93Å; Q88-S91 PolarHBondContact O-N 3.29Å; L89-S91 VanDerWaalsContact C-N 3.32Å; L89-S91 PolarHBondContact O-N 2.83Å; S91-M94 PolarHBondContact O-N 3.01Å; S91-Q95 WeakPolarHBondContact O-CG 3.04Å; S91-Q95 PolarHBondContact O-N 3.48Å
92	D	73.5	Confident	73.8	Confident	67 Å²	67	86.6 Å²	86.6	36%	0.358	45%	0.453	S	S	.	.	H	α-helix	trans	-66.4	-38.4	-179.5	-72.3	-9	0	0	0	111.9	Q88 L89 Q95 L96	Q88-D92 PolarHBondContact O-N 3.48Å; L89-D92 PolarHBondContact O-N 2.95Å; D92-Q95 PolarHBondContact O-N 3.3Å; D92-L96 WeakPolarHBondContact O-CG 3.11Å; D92-L96 PolarHBondContact O-N 3.27Å
93	E	69.3	Low	74.2	Confident	105 Å²	105	89.4 Å²	89.4	49%	0.491	46%	0.464	S	S	.	.	H	α-helix	trans	-61.6	-43.7	172.3	-76.6	-178.3	167.7	0	0	111.5	L89 Q95 L96 A97	L89-E93 WeakPolarHBondContact O-CB 3.5Å; L89-E93 WeakPolarHBondContact O-CG 3.14Å; L89-E93 PolarHBondContact O-N 2.93Å; E93-Q95 VanDerWaalsContact C-N 3.34Å; E93-Q95 PolarHBondContact O-N 3.24Å; E93-L96 PolarHBondContact O-N 3.12Å; E93-A97 WeakPolarHBondContact O-CB 3.02Å; E93-A97 PolarHBondContact O-N 3.4Å
94	M	74.8	Confident	74.5	Confident	107 Å²	107	90.2 Å²	90.2	53%	0.527	47%	0.471	S	S	.	.	H	α-helix	trans	-65	-37.4	176.6	-166.7	179.5	72.4	0	0	111.9	S90 S91 K98	S90-M94 WeakPolarHBondContact O-CB 3.34Å; S90-M94 PolarHBondContact O-N 3.39Å; S91-M94 PolarHBondContact O-N 3.01Å; M94-K98 WeakPolarHBondContact O-CG 3.25Å; M94-K98 PolarHBondContact O-N 3.47Å; M94-K98 VanDerWaalsContact O-N 3.07Å
95	Q	73.7	Confident	74.8	Confident	110 Å²	110	88.4 Å²	88.4	51%	0.514	47%	0.465	S	S	.	.	H	α-helix	trans	-67.6	-43.4	175.7	-72.8	-172.3	13.8	0	0	112.2	S91 D92 E93 K98 I99	S91-Q95 WeakPolarHBondContact O-CG 3.04Å; S91-Q95 PolarHBondContact O-N 3.48Å; D92-Q95 PolarHBondContact O-N 3.3Å; E93-Q95 VanDerWaalsContact C-N 3.34Å; E93-Q95 PolarHBondContact O-N 3.24Å; Q95-K98 WeakPolarHBondContact O-CB 3.43Å; Q95-K98 PolarHBondContact O-N 2.72Å; Q95-I99 WeakPolarHBondContact O-CG1 3.49Å; Q95-I99 PolarHBondContact O-N 2.86Å
96	L	74.1	Confident	75.3	Confident	81 Å²	81	89.6 Å²	89.6	42%	0.424	47%	0.466	S	S	.	.	H	α-helix	trans	-65.7	-39.9	176.9	-76.4	165.5	0	0	0	112.1	D92 E93 K98 I99 G100 W699	D92-L96 WeakPolarHBondContact O-CG 3.11Å; D92-L96 PolarHBondContact O-N 3.27Å; E93-L96 PolarHBondContact O-N 3.12Å; L96-K98 VanDerWaalsContact C-N 3.31Å; L96-K98 PolarHBondContact O-N 2.98Å; L96-I99 PolarHBondContact O-N 3.41Å; L96-G100 PolarHBondContact O-N 3.28Å; L96-W699 HydrophobicContact CD1-CZ2 4.34Å
97	A	69.9	Low	75.7	Confident	66 Å²	66	89.8 Å²	89.8	55%	0.545	47%	0.467	S	S	.	.	H	α-helix	trans	-61.2	-39.7	173.6	0	0	0	0	0	111.8	E93 G100 L101	E93-A97 WeakPolarHBondContact O-CB 3.02Å; E93-A97 PolarHBondContact O-N 3.4Å; A97-G100 PolarHBondContact O-N 3.3Å; A97-L101 WeakPolarHBondContact O-CB 3.06Å; A97-L101 PolarHBondContact O-N 3.34Å
98	K	77.6	Confident	75.9	Confident	130 Å²	130	87.6 Å²	87.6	57%	0.565	46%	0.462	S	S	*	.	H	α-helix	trans	-64.5	-41.1	173.6	-76.5	178.1	-179	-176	0	112.5	M94 Q95 L96 A102	M94-K98 WeakPolarHBondContact O-CG 3.25Å; M94-K98 PolarHBondContact O-N 3.47Å; M94-K98 VanDerWaalsContact O-N 3.07Å; Q95-K98 WeakPolarHBondContact O-CB 3.43Å; Q95-K98 PolarHBondContact O-N 2.72Å; L96-K98 VanDerWaalsContact C-N 3.31Å; L96-K98 PolarHBondContact O-N 2.98Å; K98-A102 WeakPolarHBondContact O-CB 3.43Å; K98-A102 PolarHBondContact O-N 2.94Å
99	I	77.1	Confident	76.3	Confident	91 Å²	91	91 Å²	91	47%	0.467	47%	0.47	S	S	.	.	H	α-helix	trans	-65.7	-45.5	176.7	-66.9	166.6	0	0	0	110.5	Q95 L96 A102 E103	Q95-I99 WeakPolarHBondContact O-CG1 3.49Å; Q95-I99 PolarHBondContact O-N 2.86Å; L96-I99 PolarHBondContact O-N 3.41Å; I99-A102 PolarHBondContact O-N 2.75Å; I99-E103 PolarHBondContact O-N 3.17Å
100	G	74.9	Confident	77	Confident	27 Å²	27	92.7 Å²	92.7	28%	0.278	48%	0.479	S	S	.	.	H	α-helix	trans	-59.5	-46.8	176.2	0	0	0	0	0	112.3	L96 A97 A102 E103 D104	L96-G100 PolarHBondContact O-N 3.28Å; A97-G100 PolarHBondContact O-N 3.3Å; G100-A102 VanDerWaalsContact C-N 3.33Å; G100-A102 PolarHBondContact O-N 2.94Å; G100-E103 WeakPolarHBondContact O-CB 3.44Å; G100-E103 PolarHBondContact O-N 3Å; G100-E103 VanDerWaalsContact O-N 3.16Å; G100-D104 PolarHBondContact O-N 3.22Å
101	L	75.2	Confident	77.5	Confident	106 Å²	106	93.5 Å²	93.5	56%	0.555	48%	0.475	S	S	*	.	H	α-helix	trans	-61.3	-39.9	175.2	-175.6	66.9	0	0	0	112.2	A97 E103 D104 I105	A97-L101 WeakPolarHBondContact O-CB 3.06Å; A97-L101 PolarHBondContact O-N 3.34Å; L101-E103 VanDerWaalsContact C-N 3.33Å; L101-D104 PolarHBondContact O-N 3.07Å; L101-I105 HydrophobicContact CD1-CD1 4.44Å; L101-I105 HydrophobicContact CG-CD1 4.01Å; L101-I105 WeakPolarHBondContact O-CB 3.25Å; L101-I105 VanDerWaalsContact O-CG1 3.23Å; L101-I105 WeakPolarHBondContact O-CG1 3.23Å; L101-I105 PolarHBondContact O-N 3Å
102	A	78.9	Confident	77.8	Confident	52 Å²	52	97.2 Å²	97.2	43%	0.43	49%	0.49	S	S	.	.	H	α-helix	trans	-67.5	-32.8	176.5	0	0	0	0	0	112.7	K98 I99 G100 R106	K98-A102 WeakPolarHBondContact O-CB 3.43Å; K98-A102 PolarHBondContact O-N 2.94Å; I99-A102 PolarHBondContact O-N 2.75Å; G100-A102 VanDerWaalsContact C-N 3.33Å; G100-A102 PolarHBondContact O-N 2.94Å; A102-R106 WeakPolarHBondContact O-CB 3.2Å; A102-R106 PolarHBondContact O-N 3.47Å; A102-R106 VanDerWaalsContact O-N 3.11Å
103	E	76.9	Confident	78.3	Confident	104 Å²	104	99.9 Å²	99.9	49%	0.486	50%	0.5	S	S	.	.	H	α-helix	trans	-68.9	-44.4	171.9	-80.5	177	179.6	0	0	112.1	I99 G100 L101 R106 H107	I99-E103 PolarHBondContact O-N 3.17Å; G100-E103 WeakPolarHBondContact O-CB 3.44Å; G100-E103 PolarHBondContact O-N 3Å; G100-E103 VanDerWaalsContact O-N 3.16Å; L101-E103 VanDerWaalsContact C-N 3.33Å; E103-R106 WeakPolarHBondContact O-CB 3.41Å; E103-R106 PolarHBondContact O-N 3.18Å; E103-R106 IonicContact OE1-NH2 3.95Å; E103-H107 WeakPolarHBondContact O-CB 3.28Å; E103-H107 PolarHBondContact O-N 3.39Å
104	D	80.2	Confident	78.8	Confident	102 Å²	102	101.5 Å²	101.5	55%	0.545	50%	0.502	S	S	.	.	H	α-helix	trans	-62.9	-45	176.1	-72.7	-18.5	0	0	0	111.6	G100 L101 R106 H107 L108	G100-D104 PolarHBondContact O-N 3.22Å; L101-D104 PolarHBondContact O-N 3.07Å; D104-R106 VanDerWaalsContact C-N 3.3Å; D104-R106 PolarHBondContact O-N 2.84Å; D104-H107 PolarHBondContact O-N 2.82Å; D104-L108 WeakPolarHBondContact O-CB 3.48Å; D104-L108 WeakPolarHBondContact O-CG 3.15Å; D104-L108 PolarHBondContact O-N 3.49Å
105	I	80.5	Confident	79	Confident	71 Å²	71	98.6 Å²	98.6	36%	0.364	50%	0.495	S	S	.	.	H	α-helix	trans	-59.3	-43	174.6	-70.9	167.8	0	0	0	110.7	L101 L108 R109	L101-I105 HydrophobicContact CD1-CD1 4.44Å; L101-I105 HydrophobicContact CG-CD1 4.01Å; L101-I105 WeakPolarHBondContact O-CB 3.25Å; L101-I105 VanDerWaalsContact O-CG1 3.23Å; L101-I105 WeakPolarHBondContact O-CG1 3.23Å; L101-I105 PolarHBondContact O-N 3Å; I105-L108 PolarHBondContact O-N 2.98Å; I105-R109 WeakPolarHBondContact O-CB 3.42Å; I105-R109 WeakPolarHBondContact O-CG 3.18Å; I105-R109 PolarHBondContact O-N 2.96Å
106	R	81.8	Confident	79.3	Confident	140 Å²	140	98.7 Å²	98.7	53%	0.528	50%	0.495	S	S	.	.	H	α-helix	trans	-64.6	-41.8	177.4	-164.2	-165.3	-33.6	165.2	10.8	111.2	A102 E103 D104 R109 N110	A102-R106 WeakPolarHBondContact O-CB 3.2Å; A102-R106 PolarHBondContact O-N 3.47Å; A102-R106 VanDerWaalsContact O-N 3.11Å; E103-R106 WeakPolarHBondContact O-CB 3.41Å; E103-R106 PolarHBondContact O-N 3.18Å; E103-R106 IonicContact OE1-NH2 3.95Å; D104-R106 VanDerWaalsContact C-N 3.3Å; D104-R106 PolarHBondContact O-N 2.84Å; R106-R109 PolarHBondContact O-N 2.81Å; R106-N110 VanDerWaalsContact O-CG 3.28Å; R106-N110 PolarHBondContact O-N 3.18Å; R106-N110 PolarHBondContact O-OD1 3.28Å
107	H	80.8	Confident	79.5	Confident	99 Å²	99	98.3 Å²	98.3	46%	0.458	49%	0.493	S	S	.	.	H	α-helix	trans	-64.6	-44.1	177.7	-169.8	67.7	0	0	0	111.9	E103 D104 N110 Q111	E103-H107 WeakPolarHBondContact O-CB 3.28Å; E103-H107 PolarHBondContact O-N 3.39Å; D104-H107 PolarHBondContact O-N 2.82Å; H107-N110 PolarHBondContact O-N 2.91Å; H107-Q111 PolarHBondContact CD2-NE2 2.88Å; H107-Q111 VanDerWaalsContact CD2-NE2 3.27Å; H107-Q111 PolarHBondContact NE2-NE2 3.37Å; H107-Q111 WeakPolarHBondContact O-CG 3.44Å; H107-Q111 PolarHBondContact O-N 3.48Å
108	L	80.7	Confident	80	Confident	108 Å²	108	102 Å²	102	57%	0.565	50%	0.497	S	S	*	.	H	α-helix	trans	-63.5	-41.7	176.3	-73.1	170.3	0	0	0	112.1	D104 I105 N110 Q111 L112	D104-L108 WeakPolarHBondContact O-CB 3.48Å; D104-L108 WeakPolarHBondContact O-CG 3.15Å; D104-L108 PolarHBondContact O-N 3.49Å; I105-L108 PolarHBondContact O-N 2.98Å; L108-N110 PolarHBondContact O-N 3.33Å; L108-Q111 PolarHBondContact O-N 3Å; L108-Q111 VanDerWaalsContact O-N 3.15Å; L108-L112 PolarHBondContact O-N 2.98Å
109	R	85.7	Confident	80	Confident	177 Å²	177	100.3 Å²	100.3	67%	0.668	49%	0.494	S	S	*	.	H	α-helix	trans	-59.1	-46	173.1	-76.3	178.5	-179.1	172	0.6	111.9	I105 R106 Q111 L112 E113	I105-R109 WeakPolarHBondContact O-CB 3.42Å; I105-R109 WeakPolarHBondContact O-CG 3.18Å; I105-R109 PolarHBondContact O-N 2.96Å; R106-R109 PolarHBondContact O-N 2.81Å; R109-Q111 VanDerWaalsContact C-N 3.26Å; R109-Q111 PolarHBondContact O-N 2.69Å; R109-L112 PolarHBondContact O-N 2.82Å; R109-E113 PolarHBondContact O-N 3.39Å
110	N	83.6	Confident	80.2	Confident	76 Å²	76	101.4 Å²	101.4	41%	0.406	50%	0.496	S	S	.	.	H	α-helix	trans	-67.1	-24.6	176.8	-68.3	1.4	0	0	0	113.3	R106 H107 L108 R114	R106-N110 VanDerWaalsContact O-CG 3.28Å; R106-N110 PolarHBondContact O-N 3.18Å; R106-N110 PolarHBondContact O-OD1 3.28Å; H107-N110 PolarHBondContact O-N 2.91Å; L108-N110 PolarHBondContact O-N 3.33Å; N110-R114 WeakPolarHBondContact O-CG 3.39Å; N110-R114 PolarHBondContact O-N 2.87Å; N110-R114 PolarHBondContact O-NE 3.02Å
111	Q	82.4	Confident	80.5	Confident	92 Å²	92	104.8 Å²	104.8	43%	0.43	51%	0.506	S	S	.	.	H	α-helix	trans	-77	-41.4	172.2	-74	-170.3	14.6	0	0	111.3	H107 L108 R109 R114 A115	H107-Q111 PolarHBondContact CD2-NE2 2.88Å; H107-Q111 VanDerWaalsContact CD2-NE2 3.27Å; H107-Q111 PolarHBondContact NE2-NE2 3.37Å; H107-Q111 WeakPolarHBondContact O-CG 3.44Å; H107-Q111 PolarHBondContact O-N 3.48Å; L108-Q111 PolarHBondContact O-N 3Å; L108-Q111 VanDerWaalsContact O-N 3.15Å; R109-Q111 VanDerWaalsContact C-N 3.26Å; R109-Q111 PolarHBondContact O-N 2.69Å; Q111-R114 PolarHBondContact O-N 2.93Å; Q111-A115 PolarHBondContact O-N 3.03Å
112	L	83	Confident	80.6	Confident	130 Å²	130	104.9 Å²	104.9	68%	0.681	51%	0.507	S	S	*	.	H	α-helix	trans	-63.4	-43.2	177.6	-172.1	68.9	0	0	0	111.7	L108 R109 A115 H116	L108-L112 PolarHBondContact O-N 2.98Å; R109-L112 PolarHBondContact O-N 2.82Å; L112-A115 PolarHBondContact O-N 3.28Å; L112-H116 WeakPolarHBondContact O-CB 3.44Å; L112-H116 PolarHBondContact O-N 3.46Å
113	E	83.3	Confident	80.5	Confident	124 Å²	124	106.1 Å²	106.1	58%	0.579	51%	0.506	S	S	*	.	H	α-helix	trans	-60.6	-47.2	175.7	-169.8	170.9	-157.5	0	0	111.3	R109 A115 H116 D117	R109-E113 PolarHBondContact O-N 3.39Å; E113-A115 VanDerWaalsContact C-N 3.29Å; E113-A115 PolarHBondContact O-N 3.31Å; E113-H116 WeakPolarHBondContact O-CB 2.9Å; E113-H116 PolarHBondContact O-N 2.82Å; E113-H116 VanDerWaalsContact O-N 3.11Å; E113-D117 PolarHBondContact O-N 2.82Å
114	R	80.9	Confident	80.8	Confident	139 Å²	139	104 Å²	104	53%	0.525	50%	0.503	S	S	.	.	H	α-helix	trans	-61.5	-33.2	174.1	-78	-176.8	-77.5	163	-4.7	113.7	N110 Q111 K118	N110-R114 WeakPolarHBondContact O-CG 3.39Å; N110-R114 PolarHBondContact O-N 2.87Å; N110-R114 PolarHBondContact O-NE 3.02Å; Q111-R114 PolarHBondContact O-N 2.93Å; R114-K118 WeakPolarHBondContact O-CG 3.16Å; R114-K118 PolarHBondContact O-N 3.18Å
115	A	77.9	Confident	80.7	Confident	45 Å²	45	105.3 Å²	105.3	37%	0.372	50%	0.504	S	S	.	.	H	α-helix	trans	-72.2	-39.5	175.1	0	0	0	0	0	111.1	Q111 L112 E113 K118 N119	Q111-A115 PolarHBondContact O-N 3.03Å; L112-A115 PolarHBondContact O-N 3.28Å; E113-A115 VanDerWaalsContact C-N 3.29Å; E113-A115 PolarHBondContact O-N 3.31Å; A115-K118 PolarHBondContact O-N 3.38Å; A115-N119 PolarHBondContact O-N 3.4Å
116	H	79	Confident	80.8	Confident	112 Å²	112	107.4 Å²	107.4	52%	0.519	51%	0.507	S	S	.	.	H	α-helix	trans	-62.7	-42.4	175.6	-169.6	-76.9	0	0	0	111.8	L112 E113 K118 N119 K120	L112-H116 WeakPolarHBondContact O-CB 3.44Å; L112-H116 PolarHBondContact O-N 3.46Å; E113-H116 WeakPolarHBondContact O-CB 2.9Å; E113-H116 PolarHBondContact O-N 2.82Å; E113-H116 VanDerWaalsContact O-N 3.11Å; H116-K118 PolarHBondContact O-N 2.94Å; H116-N119 PolarHBondContact O-N 2.88Å; H116-K120 PolarHBondContact O-N 3.16Å
117	D	79.6	Confident	81	Confident	73 Å²	73	105.2 Å²	105.2	39%	0.39	51%	0.506	S	S	.	.	H	α-helix	trans	-64.7	-38.4	176.2	-64.8	-25.4	0	0	0	112.3	E113 K120 I121	E113-D117 PolarHBondContact O-N 2.82Å; D117-K120 PolarHBondContact O-N 2.94Å; D117-I121 PolarHBondContact O-N 2.61Å
118	K	79.4	Confident	81.4	Confident	144 Å²	144	106.6 Å²	106.6	63%	0.626	51%	0.51	S	S	*	.	H	α-helix	trans	-64.9	-38.3	172.6	-73.5	176.9	-179.8	-173.6	0	112.6	R114 A115 H116 I121 L122	R114-K118 WeakPolarHBondContact O-CG 3.16Å; R114-K118 PolarHBondContact O-N 3.18Å; A115-K118 PolarHBondContact O-N 3.38Å; H116-K118 PolarHBondContact O-N 2.94Å; K118-I121 PolarHBondContact O-N 3.43Å; K118-L122 PolarHBondContact O-N 3.09Å; K118-L122 VanDerWaalsContact O-N 3.12Å
119	N	77.8	Confident	81.5	Confident	94 Å²	94	104.7 Å²	104.7	50%	0.503	51%	0.505	S	S	.	.	H	α-helix	trans	-66.6	-36.8	176.7	-82.1	-2.3	0	0	0	112.1	A115 H116 I121 L122 D123	A115-N119 PolarHBondContact O-N 3.4Å; H116-N119 PolarHBondContact O-N 2.88Å; N119-I121 VanDerWaalsContact C-N 3.27Å; N119-I121 PolarHBondContact O-N 3.05Å; N119-L122 WeakPolarHBondContact O-CB 3.43Å; N119-L122 PolarHBondContact O-N 3.36Å; N119-L122 VanDerWaalsContact O-N 3.08Å; N119-D123 PolarHBondContact O-N 3.01Å
120	K	80.9	Confident	81.6	Confident	115 Å²	115	100.3 Å²	100.3	50%	0.5	49%	0.492	S	S	.	.	H	α-helix	trans	-58.1	-39.2	172.5	-74.6	-178.7	177.1	174.9	0	112.7	H116 D117 D123 S124	H116-K120 PolarHBondContact O-N 3.16Å; D117-K120 PolarHBondContact O-N 2.94Å; K120-D123 PolarHBondContact O-N 3.1Å; K120-S124 PolarHBondContact O-N 3.4Å
121	I	81.1	Confident	81.9	Confident	98 Å²	98	103.1 Å²	103.1	50%	0.503	50%	0.503	S	S	.	.	H	α-helix	trans	-66.7	-39.8	175.4	-62.2	168.7	0	0	0	110.7	D117 K118 N119 S124 F125	D117-I121 PolarHBondContact O-N 2.61Å; K118-I121 PolarHBondContact O-N 3.43Å; N119-I121 VanDerWaalsContact C-N 3.27Å; N119-I121 PolarHBondContact O-N 3.05Å; I121-S124 PolarHBondContact O-N 2.91Å; I121-S124 PolarHBondContact O-OG 3.47Å; I121-F125 HydrophobicContact CG2-CD2 3.84Å; I121-F125 HydrophobicContact CG2-CE2 3.66Å; I121-F125 WeakPolarHBondContact O-CD2 3.41Å; I121-F125 PolarHBondContact O-N 3.18Å; I121-F125 VanDerWaalsContact O-N 3.09Å
122	L	77.3	Confident	82.1	Confident	107 Å²	107	104.2 Å²	104.2	56%	0.56	51%	0.511	S	S	*	.	H	α-helix	trans	-65.3	-38.5	175.4	-74.7	166.8	0	0	0	112.1	K118 N119 F125 R126	K118-L122 PolarHBondContact O-N 3.09Å; K118-L122 VanDerWaalsContact O-N 3.12Å; N119-L122 WeakPolarHBondContact O-CB 3.43Å; N119-L122 PolarHBondContact O-N 3.36Å; N119-L122 VanDerWaalsContact O-N 3.08Å; L122-F125 PolarHBondContact O-N 3.3Å; L122-R126 WeakPolarHBondContact O-CB 3.16Å; L122-R126 PolarHBondContact O-N 3.26Å
123	D	78.4	Confident	82.3	Confident	78 Å²	78	103.7 Å²	103.7	42%	0.417	51%	0.505	S	S	.	.	H	α-helix	trans	-66.3	-36.8	176.2	-74	-31.4	0	0	0	112.1	N119 K120 R126 L127	N119-D123 PolarHBondContact O-N 3.01Å; K120-D123 PolarHBondContact O-N 3.1Å; D123-R126 WeakPolarHBondContact O-CB 3.48Å; D123-R126 PolarHBondContact O-N 3.04Å; D123-R126 IonicContact OD1-NH1 3.86Å; D123-L127 PolarHBondContact O-N 3.38Å
124	S	81.7	Confident	82.6	Confident	61 Å²	61	102.2 Å²	102.2	43%	0.427	50%	0.498	S	S	.	.	H	α-helix	trans	-68.1	-39	174.3	72	0	0	0	0	112.5	K120 I121 R126 K128	K120-S124 PolarHBondContact O-N 3.4Å; I121-S124 PolarHBondContact O-N 2.91Å; I121-S124 PolarHBondContact O-OG 3.47Å; S124-R126 VanDerWaalsContact C-N 3.29Å; S124-R126 PolarHBondContact O-N 3.17Å; S124-K128 PolarHBondContact O-N 3.07Å; S124-K128 VanDerWaalsContact O-N 3.08Å
125	F	79.2	Confident	83	Confident	129 Å²	129	97.9 Å²	97.9	57%	0.566	49%	0.493	S	S	*	.	H	α-helix	trans	-63.3	-36.5	170.7	-83	-64.2	0	0	0	112.1	I121 L122 K128 C129	I121-F125 HydrophobicContact CG2-CD2 3.84Å; I121-F125 HydrophobicContact CG2-CE2 3.66Å; I121-F125 WeakPolarHBondContact O-CD2 3.41Å; I121-F125 PolarHBondContact O-N 3.18Å; I121-F125 VanDerWaalsContact O-N 3.09Å; L122-F125 PolarHBondContact O-N 3.3Å; F125-K128 PolarHBondContact O-N 2.67Å; F125-C129 PolarHBondContact O-N 3.14Å; F125-C129 PolarHBondContact O-SG 2.91Å
126	R	82.8	Confident	83.6	Confident	114 Å²	114	100 Å²	100	43%	0.43	50%	0.498	S	S	.	.	H	α-helix	trans	-64.5	-49.7	177.4	-161	-173.2	85.1	-156	3.6	111.6	L122 D123 S124 K128 C129 E130	L122-R126 WeakPolarHBondContact O-CB 3.16Å; L122-R126 PolarHBondContact O-N 3.26Å; D123-R126 WeakPolarHBondContact O-CB 3.48Å; D123-R126 PolarHBondContact O-N 3.04Å; D123-R126 IonicContact OD1-NH1 3.86Å; S124-R126 VanDerWaalsContact C-N 3.29Å; S124-R126 PolarHBondContact O-N 3.17Å; R126-K128 VanDerWaalsContact C-N 3.27Å; R126-K128 PolarHBondContact O-N 2.95Å; R126-C129 WeakPolarHBondContact O-CB 3.48Å; R126-C129 PolarHBondContact O-N 3.25Å; R126-E130 IonicContact CZ-OE1 2.86Å; R126-E130 IonicContact NE-OE1 3.68Å; R126-E130 PolarHBondContact NE-OE1 3.24Å; R126-E130 IonicContact NH2-OE1 3.94Å; R126-E130 WeakPolarHBondContact O-CG 3.18Å; R126-E130 PolarHBondContact O-N 3.41Å
127	L	85.6	Confident	84.1	Confident	95 Å²	95	100.2 Å²	100.2	50%	0.497	50%	0.497	S	S	.	.	H	α-helix	trans	-55.6	-43	174.6	-82.9	156.1	0	0	0	111.6	D123 C129 E130 E131	D123-L127 PolarHBondContact O-N 3.38Å; L127-C129 VanDerWaalsContact C-N 3.33Å; L127-C129 PolarHBondContact O-N 3.34Å; L127-E130 PolarHBondContact O-N 3.08Å; L127-E131 WeakPolarHBondContact O-CG 3.4Å; L127-E131 PolarHBondContact O-N 2.97Å
128	K	88.6	Confident	84.6	Confident	128 Å²	128	102.7 Å²	102.7	56%	0.557	51%	0.506	S	S	*	.	H	α-helix	trans	-66.1	-32.5	177.4	-167.2	167.9	-172.4	168.6	0	113.5	S124 F125 R126 L132	S124-K128 PolarHBondContact O-N 3.07Å; S124-K128 VanDerWaalsContact O-N 3.08Å; F125-K128 PolarHBondContact O-N 2.67Å; R126-K128 VanDerWaalsContact C-N 3.27Å; R126-K128 PolarHBondContact O-N 2.95Å; K128-L132 WeakPolarHBondContact O-CB 3.39Å; K128-L132 WeakPolarHBondContact O-CG 3.45Å; K128-L132 PolarHBondContact O-N 3.47Å; K128-L132 VanDerWaalsContact O-N 3.12Å
129	C	83.5	Confident	85.1	Confident	67 Å²	67	101.6 Å²	101.6	45%	0.453	51%	0.505	S	S	.	.	H	α-helix	trans	-70.6	-42.4	173.2	-65	0	0	0	0	111.1	F125 R126 L127 E131 L132 E133	F125-C129 PolarHBondContact O-N 3.14Å; F125-C129 PolarHBondContact O-SG 2.91Å; R126-C129 WeakPolarHBondContact O-CB 3.48Å; R126-C129 PolarHBondContact O-N 3.25Å; L127-C129 VanDerWaalsContact C-N 3.33Å; L127-C129 PolarHBondContact O-N 3.34Å; C129-E131 VanDerWaalsContact C-N 3.35Å; C129-E131 PolarHBondContact O-N 3.02Å; C129-L132 PolarHBondContact O-N 3.41Å; C129-E133 WeakPolarHBondContact O-CB 3.45Å; C129-E133 WeakPolarHBondContact O-CG 3.33Å; C129-E133 PolarHBondContact O-N 3.35Å
130	E	87.1	Confident	85.7	Confident	86 Å²	86	101.1 Å²	101.1	40%	0.402	51%	0.505	S	S	.	.	H	α-helix	trans	-60	-43	175.1	-68.9	166.9	-163	0	0	111.1	R126 L127 E133 E134	R126-E130 IonicContact CZ-OE1 2.86Å; R126-E130 IonicContact NE-OE1 3.68Å; R126-E130 PolarHBondContact NE-OE1 3.24Å; R126-E130 IonicContact NH2-OE1 3.94Å; R126-E130 WeakPolarHBondContact O-CG 3.18Å; R126-E130 PolarHBondContact O-N 3.41Å; L127-E130 PolarHBondContact O-N 3.08Å; E130-E133 PolarHBondContact O-N 2.87Å; E130-E134 PolarHBondContact O-N 3.32Å
131	E	89.6	Confident	86.1	Confident	135 Å²	135	99.8 Å²	99.8	63%	0.631	51%	0.507	S	S	*	.	H	α-helix	trans	-61.7	-42.5	173.9	-74.1	174.9	177.3	0	0	112.9	L127 C129 E134 A135	L127-E131 WeakPolarHBondContact O-CG 3.4Å; L127-E131 PolarHBondContact O-N 2.97Å; C129-E131 VanDerWaalsContact C-N 3.35Å; C129-E131 PolarHBondContact O-N 3.02Å; E131-E134 PolarHBondContact O-N 2.87Å; E131-A135 WeakPolarHBondContact O-CB 3.24Å; E131-A135 PolarHBondContact O-N 3.27Å
132	L	87.2	Confident	86.5	Confident	114 Å²	114	98 Å²	98	60%	0.597	51%	0.506	S	S	*	.	H	α-helix	trans	-69	-37	177.7	-77.3	171.1	0	0	0	112.3	K128 C129 N136	K128-L132 WeakPolarHBondContact O-CB 3.39Å; K128-L132 WeakPolarHBondContact O-CG 3.45Å; K128-L132 PolarHBondContact O-N 3.47Å; K128-L132 VanDerWaalsContact O-N 3.12Å; C129-L132 PolarHBondContact O-N 3.41Å; L132-N136 VanDerWaalsContact O-CB 3.3Å; L132-N136 WeakPolarHBondContact O-CB 3.34Å; L132-N136 PolarHBondContact O-N 2.89Å
133	E	87.3	Confident	87.1	Confident	120 Å²	120	97.9 Å²	97.9	56%	0.561	51%	0.506	S	S	*	.	H	α-helix	trans	-64.9	-42.1	174.9	-77.1	177.7	-175.4	0	0	111.4	C129 E130 N136 K137	C129-E133 WeakPolarHBondContact O-CB 3.45Å; C129-E133 WeakPolarHBondContact O-CG 3.33Å; C129-E133 PolarHBondContact O-N 3.35Å; E130-E133 PolarHBondContact O-N 2.87Å; E133-N136 PolarHBondContact O-N 2.73Å; E133-K137 WeakPolarHBondContact O-CG 3.17Å; E133-K137 PolarHBondContact O-N 3.22Å
134	E	89.4	Confident	87.5	Confident	92 Å²	92	96.4 Å²	96.4	43%	0.43	50%	0.502	S	S	.	.	H	α-helix	trans	-67.4	-44.7	177.2	-161	60.2	-158.5	0	0	111.7	E130 E131 N136 K137 E138	E130-E134 PolarHBondContact O-N 3.32Å; E131-E134 PolarHBondContact O-N 2.87Å; E134-N136 PolarHBondContact O-N 3.23Å; E134-K137 WeakPolarHBondContact O-CB 3.27Å; E134-K137 PolarHBondContact O-N 3.45Å; E134-K137 VanDerWaalsContact O-N 3.09Å; E134-K137 IonicContact OE2-NZ 2.84Å; E134-K137 PolarHBondContact OE2-NZ 2.79Å; E134-E138 PolarHBondContact O-N 3.47Å
135	A	90.4	Very high	87.9	Confident	49 Å²	49	97.5 Å²	97.5	41%	0.405	50%	0.5	S	S	.	.	H	α-helix	trans	-58.9	-35.8	173.2	0	0	0	0	0	112.3	E131 M139	E131-A135 WeakPolarHBondContact O-CB 3.24Å; E131-A135 PolarHBondContact O-N 3.27Å; A135-M139 WeakPolarHBondContact O-CB 3.2Å; A135-M139 PolarHBondContact O-N 3.26Å
136	N	89	Confident	88.3	Confident	89 Å²	89	93.4 Å²	93.4	48%	0.476	49%	0.49	S	S	.	.	H	α-helix	trans	-69.8	-38.9	176	-164.4	32.6	0	0	0	111.9	L132 E133 E134 M139 V140	L132-N136 VanDerWaalsContact O-CB 3.3Å; L132-N136 WeakPolarHBondContact O-CB 3.34Å; L132-N136 PolarHBondContact O-N 2.89Å; E133-N136 PolarHBondContact O-N 2.73Å; E134-N136 PolarHBondContact O-N 3.23Å; N136-M139 PolarHBondContact O-N 3.44Å; N136-V140 VanDerWaalsContact O-CG2 3.29Å; N136-V140 WeakPolarHBondContact O-CG2 3.47Å; N136-V140 PolarHBondContact O-N 3.35Å
137	K	90.1	Very high	88.6	Confident	117 Å²	117	92.3 Å²	92.3	51%	0.509	49%	0.492	S	S	.	.	H	α-helix	trans	-62.8	-44.2	172.6	-69.6	178.7	-154.4	152.3	0	111.7	E133 E134 M139 V140 T141	E133-K137 WeakPolarHBondContact O-CG 3.17Å; E133-K137 PolarHBondContact O-N 3.22Å; E134-K137 WeakPolarHBondContact O-CB 3.27Å; E134-K137 PolarHBondContact O-N 3.45Å; E134-K137 VanDerWaalsContact O-N 3.09Å; E134-K137 IonicContact OE2-NZ 2.84Å; E134-K137 PolarHBondContact OE2-NZ 2.79Å; K137-M139 VanDerWaalsContact C-N 3.33Å; K137-M139 PolarHBondContact O-N 2.82Å; K137-V140 PolarHBondContact O-N 2.69Å; K137-T141 WeakPolarHBondContact O-CG2 3.27Å; K137-T141 PolarHBondContact O-N 3.24Å; K137-T141 PolarHBondContact O-OG1 2.61Å
138	E	89.9	Confident	88.7	Confident	124 Å²	124	95 Å²	95	58%	0.579	50%	0.496	S	S	*	.	H	α-helix	trans	-59.9	-43.8	174.6	-71.1	-177.5	174.9	0	0	111.3	E134 V140 T141 A142	E134-E138 PolarHBondContact O-N 3.47Å; E138-V140 PolarHBondContact O-N 3.43Å; E138-T141 PolarHBondContact O-N 3.29Å; E138-T141 PolarHBondContact O-OG1 3.13Å; E138-A142 WeakPolarHBondContact O-CB 3.46Å; E138-A142 PolarHBondContact O-N 2.87Å
139	M	89.9	Confident	88.6	Confident	121 Å²	121	92.3 Å²	92.3	60%	0.596	49%	0.488	S	S	*	.	H	α-helix	trans	-64.7	-39.5	177.4	-170.2	175	69.2	0	0	112.5	A135 N136 K137 A142 L143	A135-M139 WeakPolarHBondContact O-CB 3.2Å; A135-M139 PolarHBondContact O-N 3.26Å; N136-M139 PolarHBondContact O-N 3.44Å; K137-M139 VanDerWaalsContact C-N 3.33Å; K137-M139 PolarHBondContact O-N 2.82Å; M139-A142 PolarHBondContact O-N 2.8Å; M139-L143 VanDerWaalsContact O-CB 3.31Å; M139-L143 WeakPolarHBondContact O-CB 3.2Å; M139-L143 PolarHBondContact O-N 2.96Å
140	V	89.8	Confident	88.7	Confident	85 Å²	85	93.2 Å²	93.2	52%	0.515	49%	0.488	S	S	.	.	H	α-helix	trans	-65.9	-41.1	176.5	169.6	0	0	0	0	111.4	N136 K137 E138 L143 S144	N136-V140 VanDerWaalsContact O-CG2 3.29Å; N136-V140 WeakPolarHBondContact O-CG2 3.47Å; N136-V140 PolarHBondContact O-N 3.35Å; K137-V140 PolarHBondContact O-N 2.69Å; E138-V140 PolarHBondContact O-N 3.43Å; V140-L143 PolarHBondContact O-N 3.18Å; V140-S144 WeakPolarHBondContact O-CB 3.41Å; V140-S144 PolarHBondContact O-N 3.27Å
141	T	90.1	Very high	88.5	Confident	87 Å²	87	93 Å²	93	53%	0.534	49%	0.493	S	S	.	.	H	α-helix	trans	-66.1	-44.1	175.8	56.1	0	0	0	0	111.3	K137 E138 L143 S144 Q145	K137-T141 WeakPolarHBondContact O-CG2 3.27Å; K137-T141 PolarHBondContact O-N 3.24Å; K137-T141 PolarHBondContact O-OG1 2.61Å; E138-T141 PolarHBondContact O-N 3.29Å; E138-T141 PolarHBondContact O-OG1 3.13Å; T141-L143 PolarHBondContact O-N 3.38Å; T141-S144 PolarHBondContact O-N 3.35Å; T141-S144 PolarHBondContact O-OG 2.92Å; T141-Q145 PolarHBondContact O-N 2.91Å
142	A	89.6	Confident	88.3	Confident	59 Å²	59	91.9 Å²	91.9	49%	0.488	49%	0.49	S	S	.	.	H	α-helix	trans	-59.7	-42.5	173.9	0	0	0	0	0	112.5	E138 M139 Q145 A146	E138-A142 WeakPolarHBondContact O-CB 3.46Å; E138-A142 PolarHBondContact O-N 2.87Å; M139-A142 PolarHBondContact O-N 2.8Å; A142-Q145 PolarHBondContact O-N 3.36Å; A142-A146 WeakPolarHBondContact O-CB 3.41Å; A142-A146 PolarHBondContact O-N 2.88Å
143	L	89.8	Confident	88.1	Confident	106 Å²	106	91.6 Å²	91.6	56%	0.555	49%	0.489	S	S	*	.	H	α-helix	trans	-63.4	-42	175.1	-170.6	80.2	0	0	0	111.5	M139 V140 T141 Q145 A146 N147	M139-L143 VanDerWaalsContact O-CB 3.31Å; M139-L143 WeakPolarHBondContact O-CB 3.2Å; M139-L143 PolarHBondContact O-N 2.96Å; V140-L143 PolarHBondContact O-N 3.18Å; T141-L143 PolarHBondContact O-N 3.38Å; L143-Q145 VanDerWaalsContact C-N 3.3Å; L143-Q145 PolarHBondContact O-N 2.93Å; L143-A146 PolarHBondContact O-N 3.32Å; L143-N147 WeakPolarHBondContact O-CB 3.19Å; L143-N147 VanDerWaalsContact O-CG 3.28Å; L143-N147 PolarHBondContact O-N 3.31Å; L143-N147 PolarHBondContact O-ND2 3.17Å
144	S	86.6	Confident	87.9	Confident	47 Å²	47	92.6 Å²	92.6	33%	0.329	49%	0.491	S	S	.	.	H	α-helix	trans	-62.7	-38.5	177	79	0	0	0	0	111.9	V140 T141 N147 R148	V140-S144 WeakPolarHBondContact O-CB 3.41Å; V140-S144 PolarHBondContact O-N 3.27Å; T141-S144 PolarHBondContact O-N 3.35Å; T141-S144 PolarHBondContact O-OG 2.92Å; S144-N147 PolarHBondContact O-N 3.12Å; S144-R148 WeakPolarHBondContact O-CG 3.36Å; S144-R148 PolarHBondContact O-N 3.07Å; S144-R148 VanDerWaalsContact O-N 3.1Å
145	Q	90	Very high	87.4	Confident	83 Å²	83	92.6 Å²	92.6	39%	0.388	49%	0.494	S	S	.	.	H	α-helix	trans	-68.3	-47.5	175.7	-173.7	57.7	33.1	0	0	111.2	T141 A142 L143 N147 R148 D149	T141-Q145 PolarHBondContact O-N 2.91Å; A142-Q145 PolarHBondContact O-N 3.36Å; L143-Q145 VanDerWaalsContact C-N 3.3Å; L143-Q145 PolarHBondContact O-N 2.93Å; Q145-N147 PolarHBondContact O-N 2.89Å; Q145-R148 WeakPolarHBondContact O-CB 3.36Å; Q145-R148 PolarHBondContact O-N 3.21Å; Q145-R148 VanDerWaalsContact OE1-NH1 3.16Å; Q145-D149 PolarHBondContact NE2-OD1 3.11Å; Q145-D149 VanDerWaalsContact O-CG 3.28Å; Q145-D149 PolarHBondContact O-N 3.1Å
146	A	87.5	Confident	86.9	Confident	43 Å²	43	92.6 Å²	92.6	36%	0.355	49%	0.494	S	S	.	.	H	α-helix	trans	-61.2	-31.7	176.3	0	0	0	0	0	112.9	A142 L143 N150	A142-A146 WeakPolarHBondContact O-CB 3.41Å; A142-A146 PolarHBondContact O-N 2.88Å; L143-A146 PolarHBondContact O-N 3.32Å; A146-N150 WeakPolarHBondContact O-CB 3.4Å; A146-N150 PolarHBondContact O-N 3.32Å; A146-N150 PolarHBondContact O-ND2 3.05Å; A146-N150 VanDerWaalsContact O-ND2 3.13Å
147	N	89.6	Confident	86.3	Confident	91 Å²	91	92.6 Å²	92.6	49%	0.487	49%	0.494	S	S	.	.	H	α-helix	trans	-68.8	-41.7	172.8	-78.6	-24.2	0	0	0	111.8	L143 S144 Q145 N150 V151	L143-N147 WeakPolarHBondContact O-CB 3.19Å; L143-N147 VanDerWaalsContact O-CG 3.28Å; L143-N147 PolarHBondContact O-N 3.31Å; L143-N147 PolarHBondContact O-ND2 3.17Å; S144-N147 PolarHBondContact O-N 3.12Å; Q145-N147 PolarHBondContact O-N 2.89Å; N147-N150 PolarHBondContact O-N 3.09Å; N147-V151 WeakPolarHBondContact O-CG2 3.24Å; N147-V151 PolarHBondContact O-N 3.06Å
148	R	87.3	Confident	85.4	Confident	152 Å²	152	89.4 Å²	89.4	57%	0.574	49%	0.489	S	S	*	.	H	α-helix	trans	-62.1	-45.5	173.1	-70.1	-179.5	-166.5	138.1	0.4	111.4	S144 Q145 N150 V151 L152	S144-R148 WeakPolarHBondContact O-CG 3.36Å; S144-R148 PolarHBondContact O-N 3.07Å; S144-R148 VanDerWaalsContact O-N 3.1Å; Q145-R148 WeakPolarHBondContact O-CB 3.36Å; Q145-R148 PolarHBondContact O-N 3.21Å; Q145-R148 VanDerWaalsContact OE1-NH1 3.16Å; R148-N150 VanDerWaalsContact C-N 3.29Å; R148-N150 PolarHBondContact O-N 3.13Å; R148-V151 PolarHBondContact O-N 2.81Å; R148-V151 VanDerWaalsContact O-N 3.11Å; R148-L152 WeakPolarHBondContact O-CG 3.44Å; R148-L152 PolarHBondContact O-N 3.39Å
149	D	87.5	Confident	84.7	Confident	71 Å²	71	87.1 Å²	87.1	38%	0.38	48%	0.484	S	S	.	.	H	α-helix	trans	-62.1	-39.2	178.5	-61.8	-15.5	0	0	0	110.9	Q145 L152 L153	Q145-D149 PolarHBondContact NE2-OD1 3.11Å; Q145-D149 VanDerWaalsContact O-CG 3.28Å; Q145-D149 PolarHBondContact O-N 3.1Å; D149-L152 PolarHBondContact O-N 3.34Å; D149-L153 WeakPolarHBondContact O-CB 3.23Å; D149-L153 VanDerWaalsContact O-CG 3.31Å; D149-L153 WeakPolarHBondContact O-CG 3.09Å; D149-L153 PolarHBondContact O-N 3.47Å
150	N	84.6	Confident	83.9	Confident	87 Å²	87	87 Å²	87	47%	0.465	48%	0.483	S	S	.	.	H	α-helix	trans	-63.1	-39.4	172.4	-99.1	-67.5	0	0	0	113.3	A146 N147 R148 L153 K154	A146-N150 WeakPolarHBondContact O-CB 3.4Å; A146-N150 PolarHBondContact O-N 3.32Å; A146-N150 PolarHBondContact O-ND2 3.05Å; A146-N150 VanDerWaalsContact O-ND2 3.13Å; N147-N150 PolarHBondContact O-N 3.09Å; R148-N150 VanDerWaalsContact C-N 3.29Å; R148-N150 PolarHBondContact O-N 3.13Å; N150-L153 PolarHBondContact O-N 2.91Å; N150-K154 WeakPolarHBondContact O-CB 3.25Å; N150-K154 VanDerWaalsContact O-CG 3.32Å; N150-K154 WeakPolarHBondContact O-CG 3.22Å; N150-K154 PolarHBondContact O-N 2.92Å
151	V	84.1	Confident	82.6	Confident	81 Å²	81	87.2 Å²	87.2	49%	0.491	48%	0.481	S	S	.	.	H	α-helix	trans	-64.2	-46.7	175.5	171.9	0	0	0	0	109.9	N147 R148 L153 K154 D155	N147-V151 WeakPolarHBondContact O-CG2 3.24Å; N147-V151 PolarHBondContact O-N 3.06Å; R148-V151 PolarHBondContact O-N 2.81Å; R148-V151 VanDerWaalsContact O-N 3.11Å; V151-L153 VanDerWaalsContact C-N 3.32Å; V151-L153 PolarHBondContact O-N 3.41Å; V151-K154 WeakPolarHBondContact O-CB 3.15Å; V151-K154 PolarHBondContact O-N 3.46Å; V151-K154 VanDerWaalsContact O-N 3.12Å; V151-D155 VanDerWaalsContact O-CG 3.28Å; V151-D155 PolarHBondContact O-N 3.18Å
152	L	84.8	Confident	81.2	Confident	111 Å²	111	90.7 Å²	90.7	58%	0.581	49%	0.491	S	S	*	.	H	α-helix	trans	-60.3	-39.9	176.3	-68.3	173.3	0	0	0	112.5	R148 D149 D155 A156	R148-L152 WeakPolarHBondContact O-CG 3.44Å; R148-L152 PolarHBondContact O-N 3.39Å; D149-L152 PolarHBondContact O-N 3.34Å; L152-D155 PolarHBondContact O-N 2.85Å; L152-A156 WeakPolarHBondContact O-CB 3.43Å; L152-A156 PolarHBondContact O-N 3.41Å
153	L	83.6	Confident	79.7	Confident	108 Å²	108	95.9 Å²	95.9	57%	0.565	50%	0.503	S	S	*	.	H	α-helix	trans	-66.8	-39.1	174.8	-75.7	170	0	0	0	112.2	D149 N150 V151 A156 L157	D149-L153 WeakPolarHBondContact O-CB 3.23Å; D149-L153 VanDerWaalsContact O-CG 3.31Å; D149-L153 WeakPolarHBondContact O-CG 3.09Å; D149-L153 PolarHBondContact O-N 3.47Å; N150-L153 PolarHBondContact O-N 2.91Å; V151-L153 VanDerWaalsContact C-N 3.32Å; V151-L153 PolarHBondContact O-N 3.41Å; L153-A156 PolarHBondContact O-N 3.49Å; L153-L157 WeakPolarHBondContact O-CB 3.4Å; L153-L157 WeakPolarHBondContact O-CG 3.11Å; L153-L157 PolarHBondContact O-N 2.91Å
154	K	81.3	Confident	77.9	Confident	142 Å²	142	93.2 Å²	93.2	62%	0.617	50%	0.497	S	S	*	.	H	α-helix	trans	-64.9	-42.5	174.4	-78.6	-179.5	177.8	-172.4	0	111.6	N150 V151 L157 A158	N150-K154 WeakPolarHBondContact O-CB 3.25Å; N150-K154 VanDerWaalsContact O-CG 3.32Å; N150-K154 WeakPolarHBondContact O-CG 3.22Å; N150-K154 PolarHBondContact O-N 2.92Å; V151-K154 WeakPolarHBondContact O-CB 3.15Å; V151-K154 PolarHBondContact O-N 3.46Å; V151-K154 VanDerWaalsContact O-N 3.12Å; K154-L157 PolarHBondContact O-N 3.27Å; K154-A158 WeakPolarHBondContact O-CB 3.18Å; K154-A158 PolarHBondContact O-N 2.92Å
155	D	79.4	Confident	76.1	Confident	91 Å²	91	96.5 Å²	96.5	49%	0.487	52%	0.517	S	S	.	.	H	α-helix	trans	-64.2	-43.2	176.3	-66.7	-15.5	0	0	0	110.6	V151 L152 L157 A158 V159	V151-D155 VanDerWaalsContact O-CG 3.28Å; V151-D155 PolarHBondContact O-N 3.18Å; L152-D155 PolarHBondContact O-N 2.85Å; D155-L157 PolarHBondContact O-N 3.49Å; D155-A158 PolarHBondContact O-N 3.41Å; D155-V159 WeakPolarHBondContact O-CG2 3.38Å; D155-V159 PolarHBondContact O-N 2.95Å
156	A	80	Confident	74.1	Confident	50 Å²	50	102.2 Å²	102.2	41%	0.413	54%	0.543	S	S	.	.	H	α-helix	trans	-62.7	-41	174.3	0	0	0	0	0	112.4	L152 L153 V159 M160	L152-A156 WeakPolarHBondContact O-CB 3.43Å; L152-A156 PolarHBondContact O-N 3.41Å; L153-A156 PolarHBondContact O-N 3.49Å; A156-V159 PolarHBondContact O-N 3.29Å; A156-M160 WeakPolarHBondContact O-CG 3.34Å; A156-M160 PolarHBondContact O-N 3.3Å
157	L	75.8	Confident	72.4	Confident	89 Å²	89	104.9 Å²	104.9	47%	0.466	56%	0.559	S	S	.	*	H	α-helix	trans	-64.5	-40.2	174.2	-80.9	165.1	0	0	0	112	L153 K154 D155 M160 N161	L153-L157 WeakPolarHBondContact O-CB 3.4Å; L153-L157 WeakPolarHBondContact O-CG 3.11Å; L153-L157 PolarHBondContact O-N 2.91Å; K154-L157 PolarHBondContact O-N 3.27Å; D155-L157 PolarHBondContact O-N 3.49Å; L157-M160 HydrophobicContact CD2-CE 3.57Å; L157-M160 HydrophobicContact CG-CE 4.36Å; L157-M160 PolarHBondContact O-N 3.29Å; L157-N161 WeakPolarHBondContact O-CB 3.49Å; L157-N161 VanDerWaalsContact O-CG 3.3Å; L157-N161 PolarHBondContact O-N 3.4Å
158	A	72.7	Confident	70.8	Confident	50 Å²	50	105.5 Å²	105.5	41%	0.413	56%	0.563	S	S	.	*	H	α-helix	trans	-61.8	-47.1	175.5	0	0	0	0	0	111	K154 D155 M160 N161 E162	K154-A158 WeakPolarHBondContact O-CB 3.18Å; K154-A158 PolarHBondContact O-N 2.92Å; D155-A158 PolarHBondContact O-N 3.41Å; A158-M160 PolarHBondContact O-N 3Å; A158-N161 PolarHBondContact O-N 3.43Å; A158-N161 VanDerWaalsContact O-N 3.16Å; A158-E162 PolarHBondContact O-N 2.92Å
159	V	75.4	Confident	69.2	Low	76 Å²	76	105.4 Å²	105.4	46%	0.461	57%	0.569	S	S	.	*	H	α-helix	trans	-60.3	-44.3	174.7	174.5	0	0	0	0	111	D155 A156 N161 E162 F163	D155-V159 WeakPolarHBondContact O-CG2 3.38Å; D155-V159 PolarHBondContact O-N 2.95Å; A156-V159 PolarHBondContact O-N 3.29Å; V159-N161 VanDerWaalsContact C-N 3.31Å; V159-N161 PolarHBondContact O-N 3.25Å; V159-E162 PolarHBondContact O-N 3.47Å; V159-F163 HydrophobicContact CG1-CD2 4.28Å; V159-F163 HydrophobicContact CG1-CE2 3.85Å; V159-F163 WeakPolarHBondContact O-CD2 3.26Å
160	M	72.4	Confident	67.8	Low	119 Å²	119	108.6 Å²	108.6	59%	0.586	59%	0.586	S	S	*	*	H	α-helix	trans	-63.5	-36.1	176.1	-72.8	-166.1	-41.7	0	0	112.8	A156 L157 A158 F163 A164	A156-M160 WeakPolarHBondContact O-CG 3.34Å; A156-M160 PolarHBondContact O-N 3.3Å; L157-M160 HydrophobicContact CD2-CE 3.57Å; L157-M160 HydrophobicContact CG-CE 4.36Å; L157-M160 PolarHBondContact O-N 3.29Å; A158-M160 PolarHBondContact O-N 3Å; M160-F163 PolarHBondContact O-N 3.17Å; M160-A164 PolarHBondContact O-N 3.21Å
161	N	63.3	Low	66.7	Low	88 Å²	88	108.5 Å²	108.5	47%	0.471	59%	0.585	S	S	.	*	H	α-helix	trans	-69.5	-31.5	176.6	-77.6	-12.5	0	0	0	112.2	L157 A158 V159 F163 A164	L157-N161 WeakPolarHBondContact O-CB 3.49Å; L157-N161 VanDerWaalsContact O-CG 3.3Å; L157-N161 PolarHBondContact O-N 3.4Å; A158-N161 PolarHBondContact O-N 3.43Å; A158-N161 VanDerWaalsContact O-N 3.16Å; V159-N161 VanDerWaalsContact C-N 3.31Å; V159-N161 PolarHBondContact O-N 3.25Å; N161-F163 PolarHBondContact O-N 3.44Å; N161-A164 PolarHBondContact O-N 3.49Å; N161-A164 VanDerWaalsContact O-N 3.1Å
162	E	59.6	Low	65.7	Low	160 Å²	160	109.3 Å²	109.3	75%	0.748	59%	0.586	S	S	*	*	H	α-helix	trans	-62.9	-23.4	171.9	-72.5	180	173.8	0	0	112.9	A158 V159	A158-E162 PolarHBondContact O-N 2.92Å; V159-E162 PolarHBondContact O-N 3.47Å
163	F	59.3	Low	64.9	Low	169 Å²	169	108.3 Å²	108.3	74%	0.741	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	-2.1	174.8	-65.3	-73.3	0	0	0	113.9	V159 M160 N161	V159-F163 HydrophobicContact CG1-CD2 4.28Å; V159-F163 HydrophobicContact CG1-CE2 3.85Å; V159-F163 WeakPolarHBondContact O-CD2 3.26Å; M160-F163 PolarHBondContact O-N 3.17Å; N161-F163 PolarHBondContact O-N 3.44Å
164	A	51.8	Low	64.5	Low	50 Å²	50	109.6 Å²	109.6	41%	0.413	58%	0.584	S	S	.	*	S	Bend	trans	-91.6	128.8	-179.1	0	0	0	0	0	110.7	M160 N161 E166	M160-A164 PolarHBondContact O-N 3.21Å; N161-A164 PolarHBondContact O-N 3.49Å; N161-A164 VanDerWaalsContact O-N 3.1Å; A164-E166 PolarHBondContact O-N 3.1Å
165	P	48.4	Very low	64.4	Low	115 Å²	115	109 Å²	109	75%	0.747	58%	0.581	S	S	*	*			trans	-65.6	127.6	175.5	25.5	-30.6	0	0	0	110.2	S167	P165-S167 PolarHBondContact O-N 3.07Å; P165-S167 PolarHBondContact O-OG 2.96Å
166	E	47.8	Very low	64.3	Low	203 Å²	203	108.9 Å²	108.9	95%	0.949	58%	0.581	S	S	*	*	S	Bend	trans	-9.5	88.4	173.5	-65.2	177.9	170.3	0	0	114.6	A164	A164-E166 PolarHBondContact O-N 3.1Å
167	S	51.4	Low	64.4	Low	99 Å²	99	113.8 Å²	113.8	69%	0.692	59%	0.593	S	S	*	*			trans	-152.7	120.9	165.8	51.8	0	0	0	0	112.1	P165	P165-S167 PolarHBondContact O-N 3.07Å; P165-S167 PolarHBondContact O-OG 2.96Å
168	N	56	Low	64.9	Low	105 Å²	105	115.1 Å²	115.1	56%	0.561	60%	0.597	S	S	*	*			trans	76.7	22.4	160.9	-67.3	-16.8	0	0	0	121.3	N170 L171 I172	N168-N170 PolarHBondContact O-N 3.01Å; N168-L171 HydrophobicContact CB-CB 3.93Å; N168-L171 HydrophobicContact CB-CD1 4.24Å; N168-L171 PolarHBondContact O-N 2.91Å; N168-L171 WeakPolarHBondContact OD1-CD1 3.48Å; N168-I172 PolarHBondContact O-N 3.23Å
169	E	54.4	Low	65.5	Low	149 Å²	149	116.9 Å²	116.9	70%	0.696	60%	0.598	S	S	*	*	H	α-helix	trans	-56.3	-31.3	165.5	-81.2	-170	150.7	0	0	113	L171 N173	E169-L171 VanDerWaalsContact C-N 3.32Å; E169-L171 PolarHBondContact O-N 2.85Å; E169-N173 PolarHBondContact O-N 3.47Å; E169-N173 PolarHBondContact O-ND2 3.03Å
170	N	58.4	Low	65.9	Low	138 Å²	138	116.9 Å²	116.9	74%	0.738	60%	0.602	S	S	*	*	H	α-helix	trans	-66	-32.9	175	-73.8	-22.6	0	0	0	112.8	N168 E174	N168-N170 PolarHBondContact O-N 3.01Å; N170-E174 WeakPolarHBondContact O-CB 3.45Å; N170-E174 PolarHBondContact O-N 3.13Å; N170-E174 VanDerWaalsContact O-N 3.08Å
171	L	60.2	Low	66.6	Low	85 Å²	85	118 Å²	118	45%	0.445	60%	0.603	S	S	.	*	H	α-helix	trans	-77.4	-34.3	-175	-120.1	146.3	0	0	0	112	N168 E169 K175	N168-L171 HydrophobicContact CB-CB 3.93Å; N168-L171 HydrophobicContact CB-CD1 4.24Å; N168-L171 PolarHBondContact O-N 2.91Å; N168-L171 WeakPolarHBondContact OD1-CD1 3.48Å; E169-L171 VanDerWaalsContact C-N 3.32Å; E169-L171 PolarHBondContact O-N 2.85Å; L171-K175 WeakPolarHBondContact O-CG 3.5Å; L171-K175 PolarHBondContact O-N 3Å
172	I	63.3	Low	67.9	Low	99 Å²	99	118.5 Å²	118.5	51%	0.508	61%	0.605	S	S	.	*	H	α-helix	trans	-70.7	-44.8	175.2	-62.2	174.1	0	0	0	110	N168 E174 K175 D176	N168-I172 PolarHBondContact O-N 3.23Å; I172-E174 VanDerWaalsContact C-N 3.31Å; I172-E174 PolarHBondContact O-N 3.42Å; I172-K175 PolarHBondContact O-N 3.26Å; I172-D176 PolarHBondContact O-N 3.2Å
173	N	69.1	Low	69.2	Low	90 Å²	90	117.9 Å²	117.9	48%	0.481	60%	0.6	S	S	.	*	H	α-helix	trans	-64.3	-32.9	177.8	-80.4	-37.1	0	0	0	113.4	E169 K177	E169-N173 PolarHBondContact O-N 3.47Å; E169-N173 PolarHBondContact O-ND2 3.03Å; N173-K177 WeakPolarHBondContact O-CB 3.31Å; N173-K177 VanDerWaalsContact O-CG 3.29Å; N173-K177 WeakPolarHBondContact O-CG 3.34Å; N173-K177 PolarHBondContact O-N 3.25Å; N173-K177 VanDerWaalsContact O-N 3.17Å
174	E	75.6	Confident	70.6	Confident	135 Å²	135	113.2 Å²	113.2	63%	0.631	59%	0.589	S	S	*	*	H	α-helix	trans	-71.7	-40.9	177.1	-155.5	170.4	-152.8	0	0	111.5	N170 I172 K177 E178	N170-E174 WeakPolarHBondContact O-CB 3.45Å; N170-E174 PolarHBondContact O-N 3.13Å; N170-E174 VanDerWaalsContact O-N 3.08Å; I172-E174 VanDerWaalsContact C-N 3.31Å; I172-E174 PolarHBondContact O-N 3.42Å; E174-K177 PolarHBondContact O-N 3.41Å; E174-E178 WeakPolarHBondContact O-CB 3.3Å; E174-E178 PolarHBondContact O-N 3.39Å
175	K	79.4	Confident	72.2	Confident	129 Å²	129	114.8 Å²	114.8	56%	0.561	59%	0.587	S	S	*	*	H	α-helix	trans	-67.4	-38.7	174.9	-72.2	-154.6	177.3	-171.6	0	113.2	L171 I172 K177 E178 I179	L171-K175 WeakPolarHBondContact O-CG 3.5Å; L171-K175 PolarHBondContact O-N 3Å; I172-K175 PolarHBondContact O-N 3.26Å; K175-K177 VanDerWaalsContact C-N 3.34Å; K175-K177 PolarHBondContact O-N 2.8Å; K175-E178 PolarHBondContact O-N 3.07Å; K175-I179 WeakPolarHBondContact O-CB 3.42Å; K175-I179 VanDerWaalsContact O-CG1 3.24Å; K175-I179 WeakPolarHBondContact O-CG1 3.23Å; K175-I179 PolarHBondContact O-N 3.03Å
176	D	77.3	Confident	74.1	Confident	88 Å²	88	114.5 Å²	114.5	47%	0.471	58%	0.579	S	S	.	*	H	α-helix	trans	-67.6	-35.1	176.4	-83.5	-18.9	0	0	0	112.4	I172 S180	I172-D176 PolarHBondContact O-N 3.2Å; D176-S180 WeakPolarHBondContact O-CB 3.44Å; D176-S180 PolarHBondContact O-N 3.49Å; D176-S180 PolarHBondContact O-OG 3.49Å
177	K	81.9	Confident	75.8	Confident	154 Å²	154	110.2 Å²	110.2	67%	0.67	56%	0.562	S	S	*	*	H	α-helix	trans	-65	-41.8	170.4	-77.1	175.1	-178.2	175.7	0	111.6	N173 E174 K175 S180 K181	N173-K177 WeakPolarHBondContact O-CB 3.31Å; N173-K177 VanDerWaalsContact O-CG 3.29Å; N173-K177 WeakPolarHBondContact O-CG 3.34Å; N173-K177 PolarHBondContact O-N 3.25Å; N173-K177 VanDerWaalsContact O-N 3.17Å; E174-K177 PolarHBondContact O-N 3.41Å; K175-K177 VanDerWaalsContact C-N 3.34Å; K175-K177 PolarHBondContact O-N 2.8Å; K177-S180 PolarHBondContact O-N 3.02Å; K177-K181 WeakPolarHBondContact O-CB 3.46Å; K177-K181 PolarHBondContact O-N 2.91Å
178	E	86.1	Confident	77.4	Confident	117 Å²	117	112.3 Å²	112.3	55%	0.547	56%	0.555	S	S	.	*	H	α-helix	trans	-66.1	-42.4	177.3	-165.1	173	-157.4	0	0	112	E174 K175 S180 K181 L182	E174-E178 WeakPolarHBondContact O-CB 3.3Å; E174-E178 PolarHBondContact O-N 3.39Å; K175-E178 PolarHBondContact O-N 3.07Å; E178-S180 PolarHBondContact O-N 3.02Å; E178-K181 PolarHBondContact O-N 3.24Å; E178-L182 HydrophobicContact CG-CD1 4.31Å; E178-L182 WeakPolarHBondContact O-CB 3.44Å; E178-L182 WeakPolarHBondContact O-CG 3.15Å; E178-L182 PolarHBondContact O-N 2.9Å
179	I	84.3	Confident	78.6	Confident	86 Å²	86	111.8 Å²	111.8	44%	0.441	55%	0.55	S	S	.	.	H	α-helix	trans	-62	-43.3	174.3	-70.5	165.3	0	0	0	110.9	K175 L182 K183	K175-I179 WeakPolarHBondContact O-CB 3.42Å; K175-I179 VanDerWaalsContact O-CG1 3.24Å; K175-I179 WeakPolarHBondContact O-CG1 3.23Å; K175-I179 PolarHBondContact O-N 3.03Å; I179-L182 PolarHBondContact O-N 3.38Å; I179-K183 WeakPolarHBondContact O-CB 3.34Å; I179-K183 PolarHBondContact O-N 2.98Å
180	S	83.2	Confident	79.9	Confident	77 Å²	77	108.6 Å²	108.6	54%	0.538	54%	0.535	S	S	.	.	H	α-helix	trans	-65	-40.9	177.9	-60.9	0	0	0	0	111.6	D176 K177 E178 K183 S184	D176-S180 WeakPolarHBondContact O-CB 3.44Å; D176-S180 PolarHBondContact O-N 3.49Å; D176-S180 PolarHBondContact O-OG 3.49Å; K177-S180 PolarHBondContact O-N 3.02Å; E178-S180 PolarHBondContact O-N 3.02Å; S180-K183 PolarHBondContact O-N 2.93Å; S180-S184 PolarHBondContact O-N 2.91Å
181	K	88.6	Confident	81	Confident	142 Å²	142	104.8 Å²	104.8	62%	0.617	52%	0.523	S	S	*	.	H	α-helix	trans	-61.9	-50.1	174.2	-171.9	-178.7	177.8	-173.5	0	111	K177 E178 K183 S184 E185	K177-K181 WeakPolarHBondContact O-CB 3.46Å; K177-K181 PolarHBondContact O-N 2.91Å; E178-K181 PolarHBondContact O-N 3.24Å; K181-K183 PolarHBondContact O-N 3.2Å; K181-S184 PolarHBondContact O-N 3.09Å; K181-S184 PolarHBondContact O-OG 3.41Å; K181-E185 WeakPolarHBondContact O-CB 3.38Å; K181-E185 PolarHBondContact O-N 3.47Å
182	L	89.1	Confident	82	Confident	98 Å²	98	103.7 Å²	103.7	51%	0.513	52%	0.517	S	S	.	.	H	α-helix	trans	-61.1	-41.2	177.8	-74.2	169.1	0	0	0	112.2	E178 I179 E185 L186	E178-L182 HydrophobicContact CG-CD1 4.31Å; E178-L182 WeakPolarHBondContact O-CB 3.44Å; E178-L182 WeakPolarHBondContact O-CG 3.15Å; E178-L182 PolarHBondContact O-N 2.9Å; I179-L182 PolarHBondContact O-N 3.38Å; L182-E185 PolarHBondContact O-N 3.25Å; L182-L186 VanDerWaalsContact O-CB 3.31Å; L182-L186 WeakPolarHBondContact O-CB 3.21Å; L182-L186 PolarHBondContact O-N 2.97Å
183	K	88	Confident	82.7	Confident	147 Å²	147	103.8 Å²	103.8	64%	0.639	52%	0.518	S	S	*	.	H	α-helix	trans	-61	-44.2	174.4	-87.6	-176.5	174.6	178.1	0	112.5	I179 S180 K181 E185 L186 L187	I179-K183 WeakPolarHBondContact O-CB 3.34Å; I179-K183 PolarHBondContact O-N 2.98Å; S180-K183 PolarHBondContact O-N 2.93Å; K181-K183 PolarHBondContact O-N 3.2Å; K183-E185 VanDerWaalsContact C-N 3.3Å; K183-E185 PolarHBondContact O-N 3.07Å; K183-L186 PolarHBondContact O-N 3.08Å; K183-L187 PolarHBondContact O-N 3.12Å
184	S	87.4	Confident	83	Confident	72 Å²	72	105.3 Å²	105.3	50%	0.503	52%	0.52	S	S	.	.	H	α-helix	trans	-64.4	-36.8	177.3	72.5	0	0	0	0	112	S180 K181 R188	S180-S184 PolarHBondContact O-N 2.91Å; K181-S184 PolarHBondContact O-N 3.09Å; K181-S184 PolarHBondContact O-OG 3.41Å; S184-R188 WeakPolarHBondContact O-CB 3.47Å; S184-R188 PolarHBondContact O-N 2.87Å
185	E	87	Confident	82.9	Confident	83 Å²	83	104.9 Å²	104.9	39%	0.388	52%	0.52	S	S	.	.	H	α-helix	trans	-71.2	-36.5	176.6	-169.5	160.8	-157.8	0	0	112.2	K181 L182 K183 R188 M189	K181-E185 WeakPolarHBondContact O-CB 3.38Å; K181-E185 PolarHBondContact O-N 3.47Å; L182-E185 PolarHBondContact O-N 3.25Å; K183-E185 VanDerWaalsContact C-N 3.3Å; K183-E185 PolarHBondContact O-N 3.07Å; E185-R188 WeakPolarHBondContact O-CB 3.48Å; E185-R188 PolarHBondContact O-N 3.35Å; E185-M189 WeakPolarHBondContact O-CG 3.23Å; E185-M189 PolarHBondContact O-N 2.85Å
186	L	86.9	Confident	82.3	Confident	108 Å²	108	108 Å²	108	57%	0.565	53%	0.528	S	S	*	.	H	α-helix	trans	-68.5	-41.9	176.2	-150.3	149.9	0	0	0	111.4	L182 K183 R188 M189 E190	L182-L186 VanDerWaalsContact O-CB 3.31Å; L182-L186 WeakPolarHBondContact O-CB 3.21Å; L182-L186 PolarHBondContact O-N 2.97Å; K183-L186 PolarHBondContact O-N 3.08Å; L186-R188 VanDerWaalsContact C-N 3.34Å; L186-R188 PolarHBondContact O-N 3.46Å; L186-M189 PolarHBondContact O-N 3.4Å; L186-E190 WeakPolarHBondContact O-CB 3.27Å; L186-E190 PolarHBondContact O-N 3.48Å
187	L	84.2	Confident	81.2	Confident	114 Å²	114	110.7 Å²	110.7	60%	0.597	54%	0.538	S	S	*	.	H	α-helix	trans	-61.8	-40.5	171.1	-79.7	167.5	0	0	0	112	K183 E190 A191	K183-L187 PolarHBondContact O-N 3.12Å; L187-E190 PolarHBondContact O-N 3.41Å; L187-A191 WeakPolarHBondContact O-CB 3.49Å; L187-A191 PolarHBondContact O-N 2.72Å
188	R	85.5	Confident	79.4	Confident	142 Å²	142	108.6 Å²	108.6	54%	0.536	53%	0.534	S	S	.	.	H	α-helix	trans	-62.9	-41.9	174.4	-169.2	-172.9	72.7	91.8	-0.2	111.4	S184 E185 L186 L192	S184-R188 WeakPolarHBondContact O-CB 3.47Å; S184-R188 PolarHBondContact O-N 2.87Å; E185-R188 WeakPolarHBondContact O-CB 3.48Å; E185-R188 PolarHBondContact O-N 3.35Å; L186-R188 VanDerWaalsContact C-N 3.34Å; L186-R188 PolarHBondContact O-N 3.46Å; R188-L192 WeakPolarHBondContact O-CG 3.44Å; R188-L192 PolarHBondContact O-N 2.8Å
189	M	80.9	Confident	77.3	Confident	94 Å²	94	107.9 Å²	107.9	46%	0.463	54%	0.54	S	S	.	.	H	α-helix	trans	-68.2	-38.4	175.3	-75.4	-161.3	-64.1	0	0	112.6	E185 L186 L192 L193	E185-M189 WeakPolarHBondContact O-CG 3.23Å; E185-M189 PolarHBondContact O-N 2.85Å; L186-M189 PolarHBondContact O-N 3.4Å; M189-L192 PolarHBondContact O-N 3.11Å; M189-L193 WeakPolarHBondContact O-CB 3.38Å; M189-L193 WeakPolarHBondContact O-CG 3.45Å; M189-L193 PolarHBondContact O-N 3.48Å
190	E	81.7	Confident	75.3	Confident	83 Å²	83	109.9 Å²	109.9	39%	0.388	56%	0.556	S	S	.	*	H	α-helix	trans	-66.2	-38.9	176.1	-161.1	-168.8	151.7	0	0	111.5	L186 L187 L193 K194	L186-E190 WeakPolarHBondContact O-CB 3.27Å; L186-E190 PolarHBondContact O-N 3.48Å; L187-E190 PolarHBondContact O-N 3.41Å; E190-L193 PolarHBondContact O-N 2.81Å; E190-K194 WeakPolarHBondContact O-CB 3.14Å; E190-K194 WeakPolarHBondContact O-CG 3.34Å; E190-K194 PolarHBondContact O-N 2.78Å; E190-K194 WeakPolarHBondContact OE1-CE 3.3Å; E190-K194 IonicContact OE1-NZ 2.82Å; E190-K194 PolarHBondContact OE1-NZ 3.15Å
191	A	81.9	Confident	73.4	Confident	57 Å²	57	112.5 Å²	112.5	47%	0.471	56%	0.564	S	S	.	*	H	α-helix	trans	-64.2	-42.2	172.5	0	0	0	0	0	112	L187 K194 M195	L187-A191 WeakPolarHBondContact O-CB 3.49Å; L187-A191 PolarHBondContact O-N 2.72Å; A191-K194 PolarHBondContact O-N 2.96Å; A191-M195 PolarHBondContact O-N 3.25Å
192	L	81.5	Confident	71	Confident	63 Å²	63	108.6 Å²	108.6	33%	0.33	56%	0.558	S	S	.	*	H	α-helix	trans	-63	-43	172.6	-74.7	166.8	0	0	0	111.4	R188 M189 M195 W196	R188-L192 WeakPolarHBondContact O-CG 3.44Å; R188-L192 PolarHBondContact O-N 2.8Å; M189-L192 PolarHBondContact O-N 3.11Å; L192-M195 HydrophobicContact CD2-CE 3.68Å; L192-M195 WeakPolarHBondContact O-CB 3.12Å; L192-M195 PolarHBondContact O-N 3.4Å; L192-W196 PolarHBondContact O-N 2.76Å
193	L	76.5	Confident	68.7	Low	100 Å²	100	110.1 Å²	110.1	52%	0.524	57%	0.571	S	S	.	*	H	α-helix	trans	-65.2	-39	177.1	-78.7	166.6	0	0	0	112.3	M189 E190 M195 W196 Q197	M189-L193 WeakPolarHBondContact O-CB 3.38Å; M189-L193 WeakPolarHBondContact O-CG 3.45Å; M189-L193 PolarHBondContact O-N 3.48Å; E190-L193 PolarHBondContact O-N 2.81Å; L193-M195 VanDerWaalsContact C-N 3.32Å; L193-M195 PolarHBondContact O-N 3.04Å; L193-W196 CarbonylContact O-C 3.58Å; L193-W196 PolarHBondContact O-N 3.37Å; L193-W196 VanDerWaalsContact O-N 3.1Å; L193-Q197 VanDerWaalsContact O-CB 3.3Å; L193-Q197 WeakPolarHBondContact O-CB 3.43Å; L193-Q197 WeakPolarHBondContact O-CG 3.18Å; L193-Q197 PolarHBondContact O-N 3.22Å
194	K	76.3	Confident	66.5	Low	123 Å²	123	111.8 Å²	111.8	54%	0.535	58%	0.581	S	S	.	*	H	α-helix	trans	-63.7	-36.6	173.1	-79.8	176.4	-175.8	156.4	0	112.2	E190 A191 W196	E190-K194 WeakPolarHBondContact O-CB 3.14Å; E190-K194 WeakPolarHBondContact O-CG 3.34Å; E190-K194 PolarHBondContact O-N 2.78Å; E190-K194 WeakPolarHBondContact OE1-CE 3.3Å; E190-K194 IonicContact OE1-NZ 2.82Å; E190-K194 PolarHBondContact OE1-NZ 3.15Å; A191-K194 PolarHBondContact O-N 2.96Å; K194-W196 VanDerWaalsContact C-N 3.34Å
195	M	72.9	Confident	64.3	Low	125 Å²	125	116.5 Å²	116.5	62%	0.616	60%	0.595	S	S	*	*	H	α-helix	trans	-66.4	-35.1	170.6	-75.6	-161.4	-55	0	0	112.5	A191 L192 L193	A191-M195 PolarHBondContact O-N 3.25Å; L192-M195 HydrophobicContact CD2-CE 3.68Å; L192-M195 WeakPolarHBondContact O-CB 3.12Å; L192-M195 PolarHBondContact O-N 3.4Å; L193-M195 VanDerWaalsContact C-N 3.32Å; L193-M195 PolarHBondContact O-N 3.04Å
196	W	67.9	Low	62.2	Low	196 Å²	196	123.1 Å²	123.1	74%	0.742	62%	0.617	S	S	*	*	H	α-helix	trans	-84	-22.9	-178.7	-74	48.1	0	0	0	113.5	L192 L193 K194 N198	L192-W196 PolarHBondContact O-N 2.76Å; L193-W196 CarbonylContact O-C 3.58Å; L193-W196 PolarHBondContact O-N 3.37Å; L193-W196 VanDerWaalsContact O-N 3.1Å; K194-W196 VanDerWaalsContact C-N 3.34Å; W196-N198 VanDerWaalsContact C-N 3.28Å; W196-N198 PolarHBondContact O-N 3.38Å
197	Q	53.5	Low	59.9	Low	144 Å²	144	126.8 Å²	126.8	67%	0.673	63%	0.631	S	S	*	*	S	Bend	trans	-82.5	1.8	177.7	-82.7	-178.6	-15.3	0	0	114.3	L193 P199	L193-Q197 VanDerWaalsContact O-CB 3.3Å; L193-Q197 WeakPolarHBondContact O-CB 3.43Å; L193-Q197 WeakPolarHBondContact O-CG 3.18Å; L193-Q197 PolarHBondContact O-N 3.22Å; Q197-P199 VanDerWaalsContact C-CD 3.43Å; Q197-P199 VanDerWaalsContact O-CD 3.3Å; Q197-P199 WeakPolarHBondContact O-CD 3.38Å
198	N	44.4	Very low	57.7	Low	109 Å²	109	127.5 Å²	127.5	58%	0.583	64%	0.64	S	S	*	*			trans	-108.6	76.1	162.9	-74.1	-22.6	0	0	0	109.8	W196 T200	W196-N198 VanDerWaalsContact C-N 3.28Å; W196-N198 PolarHBondContact O-N 3.38Å; N198-T200 PolarHBondContact O-N 2.76Å; N198-T200 VanDerWaalsContact O-N 3.11Å
199	P	42.1	Very low	55.3	Low	103 Å²	103	125.2 Å²	125.2	67%	0.669	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	3	179.7	-7.8	26.2	0	0	0	113.1	Q197	Q197-P199 VanDerWaalsContact C-CD 3.43Å; Q197-P199 VanDerWaalsContact O-CD 3.3Å; Q197-P199 WeakPolarHBondContact O-CD 3.38Å
200	T	40.9	Very low	53.1	Low	127 Å²	127	128.2 Å²	128.2	78%	0.779	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103	-8.6	-169.4	-16.8	0	0	0	0	114.6	N198	N198-T200 PolarHBondContact O-N 2.76Å; N198-T200 VanDerWaalsContact O-N 3.11Å
201	D	43.6	Very low	50.8	Low	132 Å²	132	129.7 Å²	129.7	71%	0.706	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.5	-5.1	178.3	-75.2	-35.6	0	0	0	114.5	V203	D201-V203 VanDerWaalsContact C-N 3.33Å; D201-V203 PolarHBondContact O-N 3.03Å
202	A	39.8	Very low	48.5	Very low	60 Å²	60	134.4 Å²	134.4	50%	0.496	71%	0.71	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.5	0.2	-169.9	0	0	0	0	0	115.9
203	V	39.6	Very low	46	Very low	131 Å²	131	135.8 Å²	135.8	79%	0.794	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	-17.2	-179.8	-178.9	0	0	0	0	112.6	D201	D201-V203 VanDerWaalsContact C-N 3.33Å; D201-V203 PolarHBondContact O-N 3.03Å
204	Q	42.4	Very low	43.8	Very low	181 Å²	181	138.5 Å²	138.5	85%	0.846	74%	0.737	S	S	*	*	S	Bend	trans	-99	-6	-178.7	-84.8	179.8	-13.8	0	0	115.8
205	Q	41.6	Very low	41.8	Very low	171 Å²	171	140.3 Å²	140.3	80%	0.799	75%	0.753	S	S	*	*	S	Bend	trans	-105.6	4.8	-178.5	-80.3	-171.7	-14.1	0	0	115.4
206	R	42	Very low	39.8	Very low	223 Å²	223	138 Å²	138	84%	0.842	76%	0.761	S	S	*	*	S	Bend	trans	-98.8	1.3	-176.2	-118.2	179.2	-167.6	171	5	116.4
207	E	38.1	Very low	37.8	Very low	184 Å²	184	134.6 Å²	134.6	86%	0.86	77%	0.766	S	S	*	*	S	Bend	trans	-113.5	5.4	-175.8	-71.7	-173.6	155.6	0	0	115.4
208	T	37.4	Very low	36.9	Very low	130 Å²	130	137 Å²	137	80%	0.798	78%	0.777	S	S	*	*	S	Bend	trans	-118.3	8.6	-176.3	17.6	0	0	0	0	116.1
209	A	35.5	Very low	36.3	Very low	93 Å²	93	139.9 Å²	139.9	77%	0.769	79%	0.792	S	S	*	*			trans	-119.4	52	177.1	0	0	0	0	0	112.8
210	I	36.3	Very low	35.8	Very low	158 Å²	158	138.6 Å²	138.6	81%	0.81	80%	0.798	S	S	*	*			trans	-139.2	87.3	163.3	-54.3	176.6	0	0	0	107
211	S	32.8	Very low	35.2	Very low	114 Å²	114	142 Å²	142	80%	0.797	81%	0.805	S	S	*	*			trans	167.3	74.5	153.3	-79.5	0	0	0	0	111.1
212	T	32.4	Very low	34.6	Very low	155 Å²	155	140.5 Å²	140.5	95%	0.951	81%	0.811	S	S	*	*			trans	-156	125.4	133.5	-29.5	0	0	0	0	108.6
213	S	29	Very low	34.2	Very low	92 Å²	92	142.4 Å²	142.4	64%	0.643	82%	0.821	S	S	*	*			trans	-118.3	137.6	-165.6	160.2	0	0	0	0	107.7
214	M	30.9	Very low	33.9	Very low	157 Å²	157	141.7 Å²	141.7	77%	0.773	82%	0.817	S	S	*	*			trans	83	130.1	155.8	-72.8	-164.9	-79.9	0	0	121.7
215	N	34.7	Very low	33.2	Very low	162 Å²	162	140 Å²	140	87%	0.866	81%	0.813	S	S	*	*			trans	81.2	130.3	158.3	-55.2	-19.6	0	0	0	116.6
216	G	29.6	Very low	32.5	Very low	77 Å²	77	135.9 Å²	135.9	79%	0.794	81%	0.809	S	S	*	*			cis	-176.6	163	6.2	0	0	0	0	0	110.1
217	C	27.9	Very low	31.9	Very low	124 Å²	124	133 Å²	133	84%	0.838	81%	0.808	S	S	*	*			trans	-50.4	153.3	-179.4	-61.8	0	0	0	0	116.3
218	Q	34.3	Very low	31.5	Very low	194 Å²	194	127.8 Å²	127.8	91%	0.907	80%	0.796	S	S	*	*				-175.9	144.3	105.7	-97	179.1	2.3	0	0	113.5
219	D	31.3	Very low	31.1	Very low	169 Å²	169	129.4 Å²	129.4	90%	0.904	80%	0.8	S	S	*	*			trans	-66.4	159.1	-177.8	-63.8	-64.4	0	0	0	115.4
220	G	30.9	Very low	30.6	Very low	77 Å²	77	128.5 Å²	128.5	79%	0.794	80%	0.8	S	S	*	*			trans	-178.2	97.7	166	0	0	0	0	0	112.5
221	Q	29.7	Very low	30.3	Very low	199 Å²	199	130.4 Å²	130.4	93%	0.93	81%	0.806	S	S	*	*			trans	-65.4	171.6	178.9	-74	173.8	-54	0	0	115
222	A	31	Very low	29.9	Very low	100 Å²	100	129.6 Å²	129.6	83%	0.826	81%	0.805	S	S	*	*			trans	94.1	135.8	160.3	0	0	0	0	0	114.9
223	S	31.1	Very low	29.7	Very low	99 Å²	99	127.4 Å²	127.4	69%	0.692	80%	0.797	S	S	*	*			cis	174.5	132.8	2.9	146	0	0	0	0	106.4
224	V	32.2	Very low	29.6	Very low	117 Å²	117	128.1 Å²	128.1	71%	0.709	80%	0.802	S	S	*	*			trans	73.3	111.5	141.4	176.9	0	0	0	0	120
225	N	28.8	Very low	29.4	Very low	145 Å²	145	128.9 Å²	128.9	78%	0.775	81%	0.808	S	S	*	*			trans	63.4	121.9	132.7	-63.4	-7.6	0	0	0	121.9
226	A	27.5	Very low	28.8	Very low	85 Å²	85	126 Å²	126	70%	0.702	80%	0.801	S	S	*	*				112.5	130.9	117.6	0	0	0	0	0	118.3
227	I	29.2	Very low	28.8	Very low	161 Å²	161	130.1 Å²	130.1	83%	0.826	80%	0.799	S	S	*	*			trans	94.9	114.4	145.7	-61.4	144.4	0	0	0	117.9
228	A	28.2	Very low	28.8	Very low	75 Å²	75	129.2 Å²	129.2	62%	0.62	79%	0.786	S	S	*	*			trans	-32.2	131.1	156.4	0	0	0	0	0	116.2
229	N	30.2	Very low	28.6	Very low	165 Å²	165	129 Å²	129	88%	0.882	78%	0.783	S	S	*	*				174.5	148.1	115.3	-89.2	-23.1	0	0	0	109.6
230	G	24.8	Very low	28.3	Very low	74 Å²	74	128.4 Å²	128.4	76%	0.763	78%	0.779	S	S	*	*			trans	-67.1	162.1	-160.4	0	0	0	0	0	116.9
231	Q	29.9	Very low	28.3	Very low	198 Å²	198	133.8 Å²	133.8	93%	0.925	78%	0.781	S	S	*	*			trans	-152.2	131	153.2	-104.4	177.8	-5	0	0	109.3
232	A	24.2	Very low	28.2	Very low	96 Å²	96	130 Å²	130	79%	0.793	77%	0.771	S	S	*	*			trans	-68.8	150.6	171.9	0	0	0	0	0	111.7
233	S	29.2	Very low	28.3	Very low	110 Å²	110	134 Å²	134	77%	0.769	77%	0.773	S	S	*	*			trans	-165.1	103.2	157.5	-72	0	0	0	0	107.2
234	S	25.6	Very low	28.1	Very low	107 Å²	107	138.5 Å²	138.5	75%	0.748	78%	0.779	S	S	*	*				58.2	113.5	96.6	62.5	0	0	0	0	114.2
235	L	27.2	Very low	28.1	Very low	172 Å²	172	140 Å²	140	90%	0.901	78%	0.784	S	S	*	*			trans	-156.9	95.1	151.6	-103.6	158.7	0	0	0	108.1
236	S	23.3	Very low	28.4	Very low	102 Å²	102	141.7 Å²	141.7	71%	0.713	79%	0.787	S	S	*	*			trans	-90.5	164.4	153.8	41.6	0	0	0	0	107.7
237	Q	29.3	Very low	28.3	Very low	164 Å²	164	144.9 Å²	144.9	77%	0.766	79%	0.791	S	S	*	*			trans	94.5	130.3	-169	-66.9	-172.6	-78.1	0	0	112.4
238	D	28.1	Very low	28.5	Very low	105 Å²	105	143.5 Å²	143.5	56%	0.561	79%	0.793	S	S	*	*			cis	-170	175.2	6.8	-96.3	-35.2	0	0	0	107.4
239	F	28.6	Very low	28.5	Very low	190 Å²	190	144.2 Å²	144.2	83%	0.833	80%	0.799	S	S	*	*			trans	95	93.5	152	-65.7	-70.7	0	0	0	120.4
240	N	25	Very low	28.3	Very low	155 Å²	155	141.6 Å²	141.6	83%	0.829	79%	0.793	S	S	*	*			trans	-60.1	135.7	136.2	-73.2	-50.2	0	0	0	111.5
241	K	31.3	Very low	28.5	Very low	190 Å²	190	145.1 Å²	145.1	83%	0.826	79%	0.793	S	S	*	*			trans	173.5	116.3	132.7	-96.8	167.9	-178.4	-177.6	0	109.5
242	V	28.3	Very low	28.6	Very low	119 Å²	119	141.7 Å²	141.7	72%	0.721	79%	0.786	S	S	*	*				64.7	117.6	102.6	-179.7	0	0	0	0	110.2
243	Q	31.6	Very low	28.9	Very low	186 Å²	186	141.2 Å²	141.2	87%	0.869	78%	0.782	S	S	*	*				-176.6	152.8	61.7	-141.8	155.4	9.9	0	0	110.2
244	K	27.7	Very low	28.9	Very low	192 Å²	192	141.6 Å²	141.6	84%	0.835	78%	0.784	S	S	*	*			trans	-86.7	150.1	171.6	-79.6	172.1	170.4	172.9	0	110.4
245	D	33.2	Very low	29	Very low	149 Å²	149	143 Å²	143	80%	0.797	79%	0.788	S	S	*	*			trans	-160.4	109.7	142.2	-85.1	-28.3	0	0	0	107
246	E	33.5	Very low	29.2	Very low	180 Å²	180	140.9 Å²	140.9	84%	0.841	79%	0.788	S	S	*	*				90.4	98.7	99	-80.2	-163.9	155.3	0	0	115
247	L	26.4	Very low	29.3	Very low	153 Å²	153	141.4 Å²	141.4	80%	0.801	79%	0.791	S	S	*	*			trans	11.6	153.3	136.4	-90.5	154.4	0	0	0	120.5
248	P	33.1	Very low	29.3	Very low	132 Å²	132	139.2 Å²	139.2	86%	0.857	79%	0.794	S	S	*	*				-143.8	158.9	90.9	32.3	-13	0	0	0	117.1
249	A	28.3	Very low	29.3	Very low	90 Å²	90	139.4 Å²	139.4	74%	0.744	80%	0.804	S	S	*	*			trans	-88.9	158.2	-175.6	0	0	0	0	0	114.1
250	S	26.5	Very low	29.4	Very low	109 Å²	109	141.2 Å²	141.2	76%	0.762	81%	0.805	S	S	*	*			trans	-175.9	123.2	154.6	-177	0	0	0	0	106.5
251	I	29.4	Very low	29.7	Very low	148 Å²	148	145.9 Å²	145.9	76%	0.759	81%	0.811	S	S	*	*				-172	118.3	89.7	-84.6	172.5	0	0	0	109.4
252	V	31.5	Very low	29.6	Very low	127 Å²	127	144.8 Å²	144.8	77%	0.77	81%	0.813	S	S	*	*			trans	70.4	103.9	130.4	-175.9	0	0	0	0	119.3
253	A	30.1	Very low	29.9	Very low	86 Å²	86	144.5 Å²	144.5	71%	0.711	81%	0.814	S	S	*	*				93.8	146.9	80.3	0	0	0	0	0	112.8
254	S	29.8	Very low	30	Very low	117 Å²	117	142.4 Å²	142.4	82%	0.818	81%	0.814	S	S	*	*			cis	-157.3	154.2	19.1	-54.1	0	0	0	0	112
255	T	27	Very low	30.1	Very low	137 Å²	137	142.1 Å²	142.1	84%	0.84	81%	0.813	S	S	*	*			trans	-63.4	152.9	173	41.5	0	0	0	0	117.1
256	S	30.5	Very low	29.8	Very low	127 Å²	127	141.3 Å²	141.3	89%	0.888	81%	0.809	S	S	*	*			trans	-154.1	145	131.4	63.4	0	0	0	0	112
257	S	26.5	Very low	29.8	Very low	113 Å²	113	140.2 Å²	140.2	79%	0.79	81%	0.809	S	S	*	*			trans	-127.4	165.8	-164.6	49.5	0	0	0	0	111.5
258	S	27.9	Very low	30	Very low	118 Å²	118	140.1 Å²	140.1	83%	0.825	81%	0.814	S	S	*	*			trans	96.1	140.2	165.2	-149.4	0	0	0	0	115
259	S	29.7	Very low	29.9	Very low	110 Å²	110	142.4 Å²	142.4	77%	0.769	81%	0.813	S	S	*	*			cis	-154.7	154.6	18.9	-169.6	0	0	0	0	112.8
260	R	29.6	Very low	29.9	Very low	227 Å²	227	141.9 Å²	141.9	86%	0.857	81%	0.809	S	S	*	*			trans	-44.6	133.7	172.4	-167.6	-173.7	-80.2	-171	-6.2	115.9
261	R	31.4	Very low	30.1	Very low	254 Å²	254	142.3 Å²	142.3	96%	0.958	81%	0.809	S	S	*	*			trans	-162.2	139.1	142.4	-103.1	175.2	-162.9	-153.1	4.5	111.9
262	L	28.9	Very low	30.5	Very low	166 Å²	166	143 Å²	143	87%	0.869	81%	0.809	S	S	*	*			trans	-87	175.4	-169.2	-92.5	164.6	0	0	0	112.9
263	P	34.3	Very low	30.7	Very low	113 Å²	113	146 Å²	146	73%	0.734	82%	0.815	S	S	*	*			trans	-103.2	153.7	-130	39.8	-35.4	0	0	0	114.5
264	T	33.9	Very low	31.2	Very low	142 Å²	142	146.3 Å²	146.3	87%	0.871	81%	0.808	S	S	*	*			trans	-135.6	124.2	164.8	31.9	0	0	0	0	110.9
265	K	29.7	Very low	32	Very low	187 Å²	187	143.9 Å²	143.9	81%	0.813	79%	0.79	S	S	*	*			trans	-6.7	145.5	159.6	-96	174.2	171.3	177.2	0	119.2
266	D	28.7	Very low	32.9	Very low	132 Å²	132	142 Å²	142	71%	0.706	78%	0.778	S	S	*	*			trans	74.8	87	152	-54.8	-26.7	0	0	0	116.5
267	N	32.2	Very low	33.6	Very low	157 Å²	157	143.3 Å²	143.3	84%	0.84	77%	0.768	S	S	*	*			trans	-167.6	100.7	134.8	-88.3	-34.5	0	0	0	108.8	E269	N267-E269 PolarHBondContact O-N 3.26Å
268	V	29.9	Very low	34.4	Very low	151 Å²	151	141.2 Å²	141.2	92%	0.915	75%	0.752	S	S	*	*			trans	-69.7	88.9	165.2	177.7	0	0	0	0	106.4	A270	V268-A270 PolarHBondContact O-N 3.04Å
269	E	31.1	Very low	35.3	Very low	179 Å²	179	139.2 Å²	139.2	84%	0.836	73%	0.73	S	S	*	*			trans	-60.6	106.5	168.2	-83.1	-177.6	155.7	0	0	108.1	N267	N267-E269 PolarHBondContact O-N 3.26Å
270	A	29.2	Very low	36.1	Very low	80 Å²	80	137.7 Å²	137.7	66%	0.661	71%	0.713	S	S	*	*			trans	-57.4	129.5	166	0	0	0	0	0	107.7	V268 Q272	V268-A270 PolarHBondContact O-N 3.04Å; A270-Q272 PolarHBondContact O-N 2.89Å
271	P	30.2	Very low	36.8	Very low	118 Å²	118	133.4 Å²	133.4	77%	0.766	70%	0.698	S	S	*	*			trans	-59.7	118.5	179.7	23.7	-31.2	0	0	0	108.1	Q273	P271-Q273 PolarHBondContact O-N 3.16Å
272	Q	38.5	Very low	37.5	Very low	161 Å²	161	126 Å²	126	75%	0.752	67%	0.674	S	S	*	*			trans	-51.2	107.7	172.1	-75.6	175.2	-20.3	0	0	107.7	A270 V274	A270-Q272 PolarHBondContact O-N 2.89Å; Q272-V274 VanDerWaalsContact C-N 3.31Å; Q272-V274 PolarHBondContact O-N 3.08Å
273	Q	36.4	Very low	38.4	Very low	191 Å²	191	124.3 Å²	124.3	89%	0.893	66%	0.656	S	S	*	*			trans	-69.2	94.8	174.2	-80.4	-175.4	-14.3	0	0	107.7	P271 C275	P271-Q273 PolarHBondContact O-N 3.16Å; Q273-C275 PolarHBondContact O-N 2.92Å
274	V	40.2	Very low	38.8	Very low	93 Å²	93	121.2 Å²	121.2	56%	0.564	64%	0.64	S	S	*	*			trans	-60.5	123.2	172.9	-174.1	0	0	0	0	108.1	Q272 V276 E279	Q272-V274 VanDerWaalsContact C-N 3.31Å; Q272-V274 PolarHBondContact O-N 3.08Å; V274-V276 PolarHBondContact O-N 3.19Å; V274-V276 VanDerWaalsContact O-N 3.16Å; V274-E279 HydrophobicContact CG1-CB 4.22Å; V274-E279 HydrophobicContact CG1-CG 4.47Å
275	C	45.2	Very low	39.2	Very low	66 Å²	66	117.6 Å²	117.6	45%	0.446	62%	0.615	S	S	.	*			trans	-68	111.4	176.1	175.6	0	0	0	0	109.2	Q273 K277 C278 E279	Q273-C275 PolarHBondContact O-N 2.92Å; C275-K277 PolarHBondContact O-N 3.38Å; C275-C278 HydrophobicContact CB-CB 3.94Å; C275-C278 WeakPolarHBondContact O-CA 3.16Å; C275-C278 WeakPolarHBondContact O-CB 3.41Å; C275-C278 PolarHBondContact O-N 2.94Å; C275-C278 VanDerWaalsContact SG-SG 3.62Å; C275-E279 PolarHBondContact O-N 3.18Å
276	V	47.7	Very low	40	Very low	96 Å²	96	110.5 Å²	110.5	58%	0.582	59%	0.592	S	S	*	*	H	α-helix	trans	-52.4	-32.1	178.8	179.5	0	0	0	0	112.3	V274 N280	V274-V276 PolarHBondContact O-N 3.19Å; V274-V276 VanDerWaalsContact O-N 3.16Å; V276-N280 WeakPolarHBondContact O-CB 3.1Å; V276-N280 PolarHBondContact O-N 3.45Å; V276-N280 PolarHBondContact O-ND2 3.05Å
277	K	43.8	Very low	40.8	Very low	156 Å²	156	107 Å²	107	68%	0.678	58%	0.581	S	S	*	*	H	α-helix	trans	-67.8	-45.8	174.5	-69	-177.6	178.9	177.7	0	111.6	C275 N280 Y281	C275-K277 PolarHBondContact O-N 3.38Å; K277-N280 PolarHBondContact O-N 3.05Å; K277-Y281 HydrophobicContact CB-CD2 4.48Å; K277-Y281 HydrophobicContact CB-CE2 4.39Å; K277-Y281 WeakPolarHBondContact O-CD2 3.19Å; K277-Y281 PolarHBondContact O-N 2.93Å
278	C	44	Very low	41.3	Very low	69 Å²	69	103.3 Å²	103.3	47%	0.466	56%	0.56	S	S	.	*	H	α-helix	trans	-63.3	-41.8	178	-64.5	0	0	0	0	111.5	C275 N280 Y281 E282	C275-C278 HydrophobicContact CB-CB 3.94Å; C275-C278 WeakPolarHBondContact O-CA 3.16Å; C275-C278 WeakPolarHBondContact O-CB 3.41Å; C275-C278 PolarHBondContact O-N 2.94Å; C275-C278 VanDerWaalsContact SG-SG 3.62Å; C278-N280 PolarHBondContact O-N 2.64Å; C278-Y281 WeakPolarHBondContact O-CB 3.38Å; C278-Y281 PolarHBondContact O-N 3.01Å; C278-E282 PolarHBondContact O-N 3.32Å
279	E	46	Very low	41.8	Very low	76 Å²	76	98 Å²	98	36%	0.355	54%	0.537	S	S	.	.	H	α-helix	trans	-66	-38	177	-158.7	-163.3	142.8	0	0	112.2	V274 C275 E282 R283	V274-E279 HydrophobicContact CG1-CB 4.22Å; V274-E279 HydrophobicContact CG1-CG 4.47Å; C275-E279 PolarHBondContact O-N 3.18Å; E279-E282 PolarHBondContact O-N 3.12Å; E279-R283 WeakPolarHBondContact O-CB 3.47Å; E279-R283 PolarHBondContact O-N 3.26Å; E279-R283 IonicContact OE1-CZ 2.98Å; E279-R283 IonicContact OE1-NE 2.78Å; E279-R283 PolarHBondContact OE1-NE 2.92Å; E279-R283 IonicContact OE1-NH2 3.89Å; E279-R283 PolarHBondContact OE1-NH2 2.72Å; E279-R283 IonicContact OE2-NH2 3.54Å
280	N	46.3	Very low	42.5	Very low	77 Å²	77	99.8 Å²	99.8	41%	0.412	54%	0.535	S	S	.	.	H	α-helix	trans	-66.8	-36.9	172.5	-73.8	-17.2	0	0	0	111.9	V276 K277 C278 R283 A284	V276-N280 WeakPolarHBondContact O-CB 3.1Å; V276-N280 PolarHBondContact O-N 3.45Å; V276-N280 PolarHBondContact O-ND2 3.05Å; K277-N280 PolarHBondContact O-N 3.05Å; C278-N280 PolarHBondContact O-N 2.64Å; N280-R283 PolarHBondContact OD1-NH1 3.46Å; N280-R283 PolarHBondContact OD1-NH2 2.99Å; N280-A284 WeakPolarHBondContact O-CB 3.43Å; N280-A284 PolarHBondContact O-N 2.95Å
281	Y	44.9	Very low	43.2	Very low	137 Å²	137	99.2 Å²	99.2	54%	0.537	53%	0.527	S	S	.	.	H	α-helix	trans	-66.7	-43.9	174	-80.5	-62.9	0	0	0	111.9	K277 C278 A284 L285	K277-Y281 HydrophobicContact CB-CD2 4.48Å; K277-Y281 HydrophobicContact CB-CE2 4.39Å; K277-Y281 WeakPolarHBondContact O-CD2 3.19Å; K277-Y281 PolarHBondContact O-N 2.93Å; C278-Y281 WeakPolarHBondContact O-CB 3.38Å; C278-Y281 PolarHBondContact O-N 3.01Å; Y281-A284 PolarHBondContact O-N 3.32Å; Y281-L285 WeakPolarHBondContact O-CB 3.38Å; Y281-L285 WeakPolarHBondContact O-CG 3.32Å; Y281-L285 PolarHBondContact O-N 3.5Å
282	E	45.5	Very low	43.8	Very low	100 Å²	100	94.8 Å²	94.8	47%	0.467	50%	0.496	S	S	.	.	H	α-helix	trans	-63	-41.5	174.2	-77.1	179.5	174.5	0	0	111.6	C278 E279 L285 A286	C278-E282 PolarHBondContact O-N 3.32Å; E279-E282 PolarHBondContact O-N 3.12Å; E282-L285 PolarHBondContact O-N 2.98Å; E282-A286 WeakPolarHBondContact O-CB 3.41Å; E282-A286 PolarHBondContact O-N 2.98Å
283	R	48	Very low	43.7	Very low	130 Å²	130	90.1 Å²	90.1	49%	0.491	48%	0.48	S	S	.	.	H	α-helix	trans	-63	-40.3	173.5	-87.6	-170.9	-101.3	112.7	-0.7	112.5	E279 N280 A287	E279-R283 WeakPolarHBondContact O-CB 3.47Å; E279-R283 PolarHBondContact O-N 3.26Å; E279-R283 IonicContact OE1-CZ 2.98Å; E279-R283 IonicContact OE1-NE 2.78Å; E279-R283 PolarHBondContact OE1-NE 2.92Å; E279-R283 IonicContact OE1-NH2 3.89Å; E279-R283 PolarHBondContact OE1-NH2 2.72Å; E279-R283 IonicContact OE2-NH2 3.54Å; N280-R283 PolarHBondContact OD1-NH1 3.46Å; N280-R283 PolarHBondContact OD1-NH2 2.99Å; R283-A287 VanDerWaalsContact O-CB 3.24Å; R283-A287 WeakPolarHBondContact O-CB 3.31Å; R283-A287 PolarHBondContact O-N 3.31Å
284	A	42.8	Very low	44	Very low	48 Å²	48	82.6 Å²	82.6	40%	0.397	45%	0.454	S	S	.	.	H	α-helix	trans	-67	-44.2	176.7	0	0	0	0	0	111.8	N280 Y281 A287 I288	N280-A284 WeakPolarHBondContact O-CB 3.43Å; N280-A284 PolarHBondContact O-N 2.95Å; Y281-A284 PolarHBondContact O-N 3.32Å; A284-A287 PolarHBondContact O-N 3.31Å; A284-I288 VanDerWaalsContact O-CG1 3.26Å; A284-I288 WeakPolarHBondContact O-CG1 3.46Å; A284-I288 PolarHBondContact O-N 3.2Å
285	L	43.3	Very low	44.1	Very low	66 Å²	66	86.9 Å²	86.9	35%	0.346	47%	0.468	S	S	.	.	H	α-helix	trans	-66.3	-41	176.6	-71.9	171.2	0	0	0	111.8	Y281 E282 I288 G289 I386	Y281-L285 WeakPolarHBondContact O-CB 3.38Å; Y281-L285 WeakPolarHBondContact O-CG 3.32Å; Y281-L285 PolarHBondContact O-N 3.5Å; E282-L285 PolarHBondContact O-N 2.98Å; L285-I288 PolarHBondContact O-N 3.48Å; L285-G289 PolarHBondContact O-N 3.28Å; L285-I386 HydrophobicContact CD2-CD1 3.77Å
286	A	45.5	Very low	44.1	Very low	38 Å²	38	88.1 Å²	88.1	31%	0.314	46%	0.463	S	S	.	.	H	α-helix	trans	-66.2	-36.6	174.6	0	0	0	0	0	112.1	E282 G289 R290	E282-A286 WeakPolarHBondContact O-CB 3.41Å; E282-A286 PolarHBondContact O-N 2.98Å; A286-G289 PolarHBondContact O-N 3.35Å; A286-R290 WeakPolarHBondContact O-CB 3.31Å; A286-R290 WeakPolarHBondContact O-CG 3.36Å; A286-R290 PolarHBondContact O-N 3.19Å
287	A	45.6	Very low	43.6	Very low	58 Å²	58	85.6 Å²	85.6	48%	0.479	45%	0.45	S	S	.	.	H	α-helix	trans	-65.8	-44.7	174.5	0	0	0	0	0	111.5	R283 A284 G289 R290 S291	R283-A287 VanDerWaalsContact O-CB 3.24Å; R283-A287 WeakPolarHBondContact O-CB 3.31Å; R283-A287 PolarHBondContact O-N 3.31Å; A284-A287 PolarHBondContact O-N 3.31Å; A287-G289 VanDerWaalsContact C-N 3.35Å; A287-R290 PolarHBondContact O-N 2.91Å; A287-S291 WeakPolarHBondContact O-CB 3.46Å; A287-S291 PolarHBondContact O-N 2.93Å; A287-S291 PolarHBondContact O-OG 3.36Å; A287-S291 VanDerWaalsContact O-OG 3.11Å
288	I	42.9	Very low	43.3	Very low	79 Å²	79	85.4 Å²	85.4	41%	0.405	45%	0.445	S	S	.	.	H	α-helix	trans	-60.2	-46.3	174	-67.4	164.7	0	0	0	110.1	A284 L285 R290 S291 I292	A284-I288 VanDerWaalsContact O-CG1 3.26Å; A284-I288 WeakPolarHBondContact O-CG1 3.46Å; A284-I288 PolarHBondContact O-N 3.2Å; L285-I288 PolarHBondContact O-N 3.48Å; I288-R290 PolarHBondContact O-N 3.33Å; I288-S291 WeakPolarHBondContact CA-OG 3.29Å; I288-S291 PolarHBondContact O-N 3.21Å; I288-S291 PolarHBondContact O-OG 3.39Å; I288-I292 HydrophobicContact CG2-CD1 4.45Å; I288-I292 WeakPolarHBondContact O-CG1 3.45Å; I288-I292 PolarHBondContact O-N 2.93Å
289	G	40.7	Very low	43	Very low	41 Å²	41	89.1 Å²	89.1	42%	0.423	45%	0.45	S	S	.	.	H	α-helix	trans	-62.7	-39.3	177.5	0	0	0	0	0	114	L285 A286 A287 S291	L285-G289 PolarHBondContact O-N 3.28Å; A286-G289 PolarHBondContact O-N 3.35Å; A287-G289 VanDerWaalsContact C-N 3.35Å; G289-S291 VanDerWaalsContact C-N 3.35Å
290	R	46.6	Very low	42.3	Very low	215 Å²	215	93.3 Å²	93.3	81%	0.811	47%	0.47	S	S	*	.	H	α-helix	trans	-72.8	-25.4	175.9	-72.1	176.4	-153.1	-170.3	5.6	113.3	A286 A287 I288 I292	A286-R290 WeakPolarHBondContact O-CB 3.31Å; A286-R290 WeakPolarHBondContact O-CG 3.36Å; A286-R290 PolarHBondContact O-N 3.19Å; A287-R290 PolarHBondContact O-N 2.91Å; I288-R290 PolarHBondContact O-N 3.33Å; R290-I292 VanDerWaalsContact C-N 3.28Å
291	S	43	Very low	42	Very low	68 Å²	68	95.1 Å²	95.1	48%	0.476	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-5.9	178.9	62	0	0	0	0	114.2	A287 I288 G289 P293	A287-S291 WeakPolarHBondContact O-CB 3.46Å; A287-S291 PolarHBondContact O-N 2.93Å; A287-S291 PolarHBondContact O-OG 3.36Å; A287-S291 VanDerWaalsContact O-OG 3.11Å; I288-S291 WeakPolarHBondContact CA-OG 3.29Å; I288-S291 PolarHBondContact O-N 3.21Å; I288-S291 PolarHBondContact O-OG 3.39Å; G289-S291 VanDerWaalsContact C-N 3.35Å; S291-P293 WeakPolarHBondContact O-CD 3.48Å
292	I	42.2	Very low	41.7	Very low	25 Å²	25	97.5 Å²	97.5	13%	0.128	50%	0.495	C	S	.	.	S	Bend	trans	-100.4	107.1	174.2	-60.3	166.1	0	0	0	107.3	I288 R290 G294 L389	I288-I292 HydrophobicContact CG2-CD1 4.45Å; I288-I292 WeakPolarHBondContact O-CG1 3.45Å; I288-I292 PolarHBondContact O-N 2.93Å; R290-I292 VanDerWaalsContact C-N 3.28Å; I292-G294 PolarHBondContact O-N 3.28Å; I292-L389 HydrophobicContact CD1-CD2 3.77Å
293	P	37.3	Very low	41.2	Very low	64 Å²	64	100.3 Å²	100.3	42%	0.416	51%	0.514	S	S	.	.			trans	-65.9	129	171.7	-4.8	18.7	0	0	0	108.9	S291 A314 W317	S291-P293 WeakPolarHBondContact O-CD 3.48Å; P293-A314 WeakPolarHBondContact O-CB 3.46Å; P293-W317 HydrophobicContact CG-CD2 4.37Å; P293-W317 HydrophobicContact CG-CE3 4.34Å
294	G	41.7	Very low	40.5	Very low	33 Å²	33	96.8 Å²	96.8	34%	0.34	51%	0.512	S	S	.	.	S	Bend	trans	147.2	139.3	171.3	0	0	0	0	0	114.3	I292	I292-G294 PolarHBondContact O-N 3.28Å
295	Q	43.1	Very low	40.2	Very low	182 Å²	182	100.3 Å²	100.3	85%	0.85	52%	0.52	S	S	*	.			trans	-78.2	123.8	164.1	-81.9	179.3	-14.9	0	0	108.8	S297	Q295-S297 PolarHBondContact O-N 2.94Å; Q295-S297 VanDerWaalsContact O-N 3.17Å
296	W	44.3	Very low	39.7	Very low	93 Å²	93	105.6 Å²	105.6	35%	0.352	54%	0.535	S	S	.	.			trans	-74.2	103.3	172.7	-67.3	79.8	0	0	0	108.9	R298 F307 L309 L389	W296-R298 PolarHBondContact O-N 3.49Å; W296-F307 HydrophobicContact CB-CD1 4.27Å; W296-F307 HydrophobicContact CB-CE1 4.44Å; W296-F307 HydrophobicContact CE3-CB 4.02Å; W296-F307 HydrophobicContact CE3-CD1 4.02Å; W296-F307 HydrophobicContact CE3-CG 4.28Å; W296-F307 HydrophobicContact CZ3-CB 4.16Å; W296-L309 HydrophobicContact CH2-CD1 4.27Å; W296-L389 HydrophobicContact CH2-CD1 4.4Å
297	S	39.1	Very low	39.4	Very low	43 Å²	43	105.6 Å²	105.6	30%	0.301	53%	0.529	S	S	.	.			trans	-72.5	124.4	173.3	-45.8	0	0	0	0	109.6	Q295 Y299 S310	Q295-S297 PolarHBondContact O-N 2.94Å; Q295-S297 VanDerWaalsContact O-N 3.17Å; S297-Y299 PolarHBondContact O-N 2.61Å; S297-S310 PolarHBondContact OG-OG 3.34Å
298	R	36.3	Very low	39.2	Very low	152 Å²	152	106 Å²	106	57%	0.574	53%	0.525	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.4	106.4	170.8	-148.9	-178.3	-158.3	179.2	4.8	107.5	W296 F307	W296-R298 PolarHBondContact O-N 3.49Å; R298-F307 HydrophobicContact CG-CE1 4.33Å; R298-F307 HydrophobicContact CG-CZ 4.32Å
299	Y	38.1	Very low	39.2	Very low	147 Å²	147	103 Å²	103	58%	0.576	51%	0.509	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.3	115.2	166.5	-95.5	-91.9	0	0	0	108.3	S297	S297-Y299 PolarHBondContact O-N 2.61Å
300	E	32	Very low	39.4	Very low	164 Å²	164	103.9 Å²	103.9	77%	0.766	51%	0.509	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.2	107.1	164.4	-71	-176	171.9	0	0	107.1
301	D	38.4	Very low	39.3	Very low	115 Å²	115	96.3 Å²	96.3	62%	0.615	49%	0.485	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.2	146	169.5	-157.9	1.8	0	0	0	107.4	N303 A304	D301-N303 PolarHBondContact O-N 2.86Å; D301-A304 PolarHBondContact O-N 3.31Å
302	E	39.8	Very low	39.5	Very low	186 Å²	186	103.2 Å²	103.2	87%	0.869	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-7.7	-159.8	-69.8	-173.7	153.9	0	0	115.8
303	N	35	Very low	39.5	Very low	160 Å²	160	108 Å²	108	86%	0.856	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.8	-0.7	-173.4	-76.2	-54.9	0	0	0	117.1	D301	D301-N303 PolarHBondContact O-N 2.86Å
304	A	33.4	Very low	39.9	Very low	55 Å²	55	105 Å²	105	46%	0.455	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.9	139.9	172	0	0	0	0	0	111.6	D301 R306	D301-A304 PolarHBondContact O-N 3.31Å; A304-R306 PolarHBondContact O-N 2.97Å
305	Q	35	Very low	40.3	Very low	123 Å²	123	103.7 Å²	103.7	58%	0.575	49%	0.492	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.2	106.9	166.5	-70.4	179.4	4.1	0	0	109.5
306	R	34.4	Very low	40.7	Very low	176 Å²	176	104.1 Å²	104.1	66%	0.664	49%	0.486	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.1	117.7	170	-73	-177.1	-180	174.2	2	109	A304 V308	A304-R306 PolarHBondContact O-N 2.97Å; R306-V308 PolarHBondContact O-N 3.32Å
307	F	39.4	Very low	41.2	Very low	39 Å²	39	105.1 Å²	105.1	17%	0.171	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	106.9	163.5	-76.5	-83	0	0	0	107.8	W296 R298 R385	W296-F307 HydrophobicContact CB-CD1 4.27Å; W296-F307 HydrophobicContact CB-CE1 4.44Å; W296-F307 HydrophobicContact CE3-CB 4.02Å; W296-F307 HydrophobicContact CE3-CD1 4.02Å; W296-F307 HydrophobicContact CE3-CG 4.28Å; W296-F307 HydrophobicContact CZ3-CB 4.16Å; R298-F307 HydrophobicContact CG-CE1 4.33Å; R298-F307 HydrophobicContact CG-CZ 4.32Å; F307-R385 HydrophobicContact CD2-CG 3.95Å; F307-R385 HydrophobicContact CE2-CG 4.1Å; F307-R385 HydrophobicContact CG-CG 4.43Å
308	V	40.4	Very low	42	Very low	66 Å²	66	104.6 Å²	104.6	40%	0.4	48%	0.483	S	S	.	.			trans	-92.2	126.8	166.9	-179	0	0	0	0	106.4	R306 S310	R306-V308 PolarHBondContact O-N 3.32Å; V308-S310 PolarHBondContact O-N 3.28Å
309	L	43.2	Very low	43	Very low	15 Å²	15	99.4 Å²	99.4	8%	0.079	47%	0.467	C	S	.	.			trans	-65.3	87.1	160.9	-107.9	149.4	0	0	0	107.2	W296 D311 A314 I315 L389	W296-L309 HydrophobicContact CH2-CD1 4.27Å; L309-D311 PolarHBondContact O-N 3.29Å; L309-A314 HydrophobicContact CD2-CB 3.6Å; L309-I315 HydrophobicContact CB-CD1 3.5Å; L309-I315 HydrophobicContact CB-CG1 3.89Å; L309-I315 HydrophobicContact CD1-CD1 4.29Å; L309-I315 HydrophobicContact CD1-CG1 4.07Å; L309-I315 HydrophobicContact CD2-CG1 4.27Å; L309-I315 HydrophobicContact CG-CD1 4.41Å; L309-I315 HydrophobicContact CG-CG1 4.33Å; L309-L389 HydrophobicContact CD1-CD1 3.17Å
310	S	44.1	Very low	43.9	Very low	60 Å²	60	100.3 Å²	100.3	42%	0.42	47%	0.473	S	S	.	.			trans	-64.8	-18.6	178.7	45.7	0	0	0	0	111.7	S297 V308 R312	S297-S310 PolarHBondContact OG-OG 3.34Å; V308-S310 PolarHBondContact O-N 3.28Å; S310-R312 PolarHBondContact O-N 3.48Å; S310-R312 VanDerWaalsContact O-N 3.07Å
311	D	45.5	Very low	45.1	Very low	57 Å²	57	97.2 Å²	97.2	31%	0.305	46%	0.459	S	S	.	.			trans	-83.3	90.6	179.2	-148.8	-14.2	0	0	0	110.7	L309 L313 A314 I315	L309-D311 PolarHBondContact O-N 3.29Å; D311-L313 PolarHBondContact O-N 3.37Å; D311-L313 WeakPolarHBondContact OD1-CB 3.24Å; D311-L313 PolarHBondContact OD1-N 3.21Å; D311-A314 HydrophobicContact CB-CB 3.97Å; D311-A314 WeakPolarHBondContact O-CB 3.43Å; D311-A314 PolarHBondContact O-N 3.39Å; D311-I315 PolarHBondContact O-N 3.02Å
312	R	47	Very low	45.9	Very low	213 Å²	213	92.7 Å²	92.7	80%	0.804	44%	0.435	S	S	*	.	H	α-helix	trans	-46.7	-29.3	168.4	-87.4	-178.6	165.6	179.5	-3.6	111.3	S310 R316	S310-R312 PolarHBondContact O-N 3.48Å; S310-R312 VanDerWaalsContact O-N 3.07Å; R312-R316 WeakPolarHBondContact O-CB 3.15Å; R312-R316 PolarHBondContact O-N 2.96Å
313	L	42	Very low	46.5	Very low	124 Å²	124	88.8 Å²	88.8	65%	0.649	43%	0.428	S	S	*	.	H	α-helix	trans	-72	-39.4	177.5	-69.9	159.7	0	0	0	112.9	D311 R316 W317	D311-L313 PolarHBondContact O-N 3.37Å; D311-L313 WeakPolarHBondContact OD1-CB 3.24Å; D311-L313 PolarHBondContact OD1-N 3.21Å; L313-R316 CarbonylContact O-C 3.6Å; L313-R316 PolarHBondContact O-N 3.34Å; L313-W317 WeakPolarHBondContact O-CA 3.3Å; L313-W317 WeakPolarHBondContact O-CB 3.4Å; L313-W317 PolarHBondContact O-N 2.73Å
314	A	46.1	Very low	47.4	Very low	3 Å²	3	85 Å²	85	3%	0.025	41%	0.413	C	S	.	.	H	α-helix	trans	-65.9	-44.3	178.9	0	0	0	0	0	111.4	P293 L309 D311 W317 L318	P293-A314 WeakPolarHBondContact O-CB 3.46Å; L309-A314 HydrophobicContact CD2-CB 3.6Å; D311-A314 HydrophobicContact CB-CB 3.97Å; D311-A314 WeakPolarHBondContact O-CB 3.43Å; D311-A314 PolarHBondContact O-N 3.39Å; A314-W317 PolarHBondContact O-N 3.47Å; A314-L318 WeakPolarHBondContact O-CB 3.42Å; A314-L318 PolarHBondContact O-N 2.94Å
315	I	49.8	Very low	48.4	Very low	5 Å²	5	86.1 Å²	86.1	3%	0.026	41%	0.412	C	S	.	.	H	α-helix	trans	-69.1	-38.9	174.6	-62.9	177.3	0	0	0	111	L309 D311 W317 L318 L319 E392 R396	L309-I315 HydrophobicContact CB-CD1 3.5Å; L309-I315 HydrophobicContact CB-CG1 3.89Å; L309-I315 HydrophobicContact CD1-CD1 4.29Å; L309-I315 HydrophobicContact CD1-CG1 4.07Å; L309-I315 HydrophobicContact CD2-CG1 4.27Å; L309-I315 HydrophobicContact CG-CD1 4.41Å; L309-I315 HydrophobicContact CG-CG1 4.33Å; D311-I315 PolarHBondContact O-N 3.02Å; I315-W317 VanDerWaalsContact C-N 3.31Å; I315-W317 PolarHBondContact O-N 3.48Å; I315-L318 PolarHBondContact O-N 3.28Å; I315-L319 HydrophobicContact CG2-CD1 3.64Å; I315-L319 HydrophobicContact CG2-CG 4.05Å; I315-L319 VanDerWaalsContact O-CB 3.22Å; I315-L319 WeakPolarHBondContact O-CB 3.47Å; I315-L319 WeakPolarHBondContact O-CG 3.36Å; I315-L319 PolarHBondContact O-N 2.88Å; I315-E392 HydrophobicContact CD1-CG 4.43Å; I315-E392 WeakPolarHBondContact CD1-OE1 2.88Å; I315-R396 VanDerWaalsContact CD1-NH2 3.35Å
316	R	51.8	Low	49.1	Very low	190 Å²	190	89.4 Å²	89.4	72%	0.717	43%	0.427	S	S	*	.	H	α-helix	trans	-67.9	-31.9	176.2	-164	178.1	-158.1	174.7	4.4	112.1	R312 L313 K320	R312-R316 WeakPolarHBondContact O-CB 3.15Å; R312-R316 PolarHBondContact O-N 2.96Å; L313-R316 CarbonylContact O-C 3.6Å; L313-R316 PolarHBondContact O-N 3.34Å; R316-K320 WeakPolarHBondContact O-CB 3.44Å; R316-K320 PolarHBondContact O-N 2.76Å
317	W	55.5	Low	50.3	Low	115 Å²	115	86.5 Å²	86.5	44%	0.436	42%	0.421	S	S	.	.	H	α-helix	trans	-70.7	-47.2	174.1	-178.3	90.9	0	0	0	110.9	P293 L313 A314 I315 K320 H321	P293-W317 HydrophobicContact CG-CD2 4.37Å; P293-W317 HydrophobicContact CG-CE3 4.34Å; L313-W317 WeakPolarHBondContact O-CA 3.3Å; L313-W317 WeakPolarHBondContact O-CB 3.4Å; L313-W317 PolarHBondContact O-N 2.73Å; A314-W317 PolarHBondContact O-N 3.47Å; I315-W317 VanDerWaalsContact C-N 3.31Å; I315-W317 PolarHBondContact O-N 3.48Å; W317-K320 PolarHBondContact O-N 2.88Å; W317-H321 AromaticContact CD2-CD2 3.97Å; W317-H321 AromaticContact CE2-CD2 3.46Å; W317-H321 VanDerWaalsContact CE2-CD2 3.46Å; W317-H321 AromaticContact CE2-NE2 3.78Å; W317-H321 AromaticContact CH2-CD2 3.52Å; W317-H321 AromaticContact CZ2-CD2 3.24Å; W317-H321 WeakPolarHBondContact CZ2-CD2 2.97Å; W317-H321 AromaticContact CZ2-NE2 3.4Å; W317-H321 WeakPolarHBondContact CZ2-NE2 3.34Å; W317-H321 AromaticContact CZ3-CD2 3.98Å; W317-H321 PolarHBondContact O-N 2.89Å
318	L	55.8	Low	51.2	Low	32 Å²	32	90.7 Å²	90.7	17%	0.168	44%	0.439	C	S	.	.	H	α-helix	trans	-60.7	-46.3	173.8	-118.1	131.5	0	0	0	110.7	A314 I315 K320 H321 L322 L393	A314-L318 WeakPolarHBondContact O-CB 3.42Å; A314-L318 PolarHBondContact O-N 2.94Å; I315-L318 PolarHBondContact O-N 3.28Å; L318-K320 PolarHBondContact O-N 3.07Å; L318-H321 PolarHBondContact O-N 2.82Å; L318-L322 HydrophobicContact CD2-CD1 3.94Å; L318-L322 HydrophobicContact CD2-CG 4.43Å; L318-L322 VanDerWaalsContact O-CB 3.25Å; L318-L322 WeakPolarHBondContact O-CB 3.4Å; L318-L322 WeakPolarHBondContact O-CG 3.14Å; L318-L322 PolarHBondContact O-N 3.5Å; L318-L393 HydrophobicContact CB-CD2 4.45Å; L318-L393 HydrophobicContact CD2-CD1 3.92Å; L318-L393 HydrophobicContact CD2-CD2 3.9Å
319	L	56.2	Low	52	Low	43 Å²	43	92.8 Å²	92.8	23%	0.225	45%	0.448	C	S	.	.	H	α-helix	trans	-62.6	-39.3	175.4	-72.4	169.8	0	0	0	112	I315 L322 S323 R396	I315-L319 HydrophobicContact CG2-CD1 3.64Å; I315-L319 HydrophobicContact CG2-CG 4.05Å; I315-L319 VanDerWaalsContact O-CB 3.22Å; I315-L319 WeakPolarHBondContact O-CB 3.47Å; I315-L319 WeakPolarHBondContact O-CG 3.36Å; I315-L319 PolarHBondContact O-N 2.88Å; L319-L322 PolarHBondContact O-N 3.17Å; L319-S323 VanDerWaalsContact O-CB 3.23Å; L319-S323 WeakPolarHBondContact O-CB 3.03Å; L319-S323 PolarHBondContact O-N 2.76Å; L319-S323 PolarHBondContact O-OG 2.7Å; L319-R396 HydrophobicContact CD1-CB 4.37Å; L319-R396 HydrophobicContact CD2-CB 4.3Å
320	K	58	Low	52.8	Low	165 Å²	165	95.6 Å²	95.6	72%	0.717	46%	0.461	S	S	*	.	H	α-helix	trans	-66.9	-39.2	176.8	-170.3	177.8	-177.8	-176.1	0	112	R316 W317 L318 S324	R316-K320 WeakPolarHBondContact O-CB 3.44Å; R316-K320 PolarHBondContact O-N 2.76Å; W317-K320 PolarHBondContact O-N 2.88Å; L318-K320 PolarHBondContact O-N 3.07Å; K320-S324 PolarHBondContact O-N 3.43Å
321	H	56.1	Low	53.5	Low	99 Å²	99	93.5 Å²	93.5	46%	0.458	45%	0.445	S	S	.	.	H	α-helix	trans	-71.5	-39.8	174.8	-100.9	-34.1	0	0	0	112.8	W317 L318 S323 S324	W317-H321 AromaticContact CD2-CD2 3.97Å; W317-H321 AromaticContact CE2-CD2 3.46Å; W317-H321 VanDerWaalsContact CE2-CD2 3.46Å; W317-H321 AromaticContact CE2-NE2 3.78Å; W317-H321 AromaticContact CH2-CD2 3.52Å; W317-H321 AromaticContact CZ2-CD2 3.24Å; W317-H321 WeakPolarHBondContact CZ2-CD2 2.97Å; W317-H321 AromaticContact CZ2-NE2 3.4Å; W317-H321 WeakPolarHBondContact CZ2-NE2 3.34Å; W317-H321 AromaticContact CZ3-CD2 3.98Å; W317-H321 PolarHBondContact O-N 2.89Å; L318-H321 PolarHBondContact O-N 2.82Å; H321-S323 VanDerWaalsContact C-N 3.32Å; H321-S324 PolarHBondContact O-N 3.09Å; H321-S324 PolarHBondContact O-OG 3.16Å
322	L	55	Low	54.2	Low	21 Å²	21	94.7 Å²	94.7	11%	0.11	45%	0.445	C	S	.	.	H	α-helix	trans	-64.8	-39.7	174.4	-69.4	172.5	0	0	0	110.4	L318 L319 S324 L325 M331 F335 L393	L318-L322 HydrophobicContact CD2-CD1 3.94Å; L318-L322 HydrophobicContact CD2-CG 4.43Å; L318-L322 VanDerWaalsContact O-CB 3.25Å; L318-L322 WeakPolarHBondContact O-CB 3.4Å; L318-L322 WeakPolarHBondContact O-CG 3.14Å; L318-L322 PolarHBondContact O-N 3.5Å; L319-L322 PolarHBondContact O-N 3.17Å; L322-S324 PolarHBondContact O-N 3.2Å; L322-L325 HydrophobicContact CD2-CD1 4.44Å; L322-L325 PolarHBondContact O-N 2.94Å; L322-M331 VanDerWaalsContact C-CE 3.5Å; L322-M331 HydrophobicContact CB-CE 3.67Å; L322-M331 HydrophobicContact CB-SD 4.08Å; L322-M331 HydrophobicContact CD2-CE 4.01Å; L322-M331 HydrophobicContact CD2-CG 3.98Å; L322-M331 HydrophobicContact CD2-SD 3.85Å; L322-M331 HydrophobicContact CG-CE 4.42Å; L322-M331 HydrophobicContact CG-SD 4.39Å; L322-M331 WeakPolarHBondContact O-CE 3.36Å; L322-F335 HydrophobicContact CD1-CE2 4.11Å; L322-F335 HydrophobicContact CD1-CZ 3.89Å; L322-F335 HydrophobicContact CD2-CE2 3.81Å; L322-F335 HydrophobicContact CD2-CZ 4.07Å; L322-L393 HydrophobicContact CD1-CD2 4.27Å
323	S	52.7	Low	54.9	Low	104 Å²	104	90.4 Å²	90.4	73%	0.727	44%	0.437	S	S	*	.	H	α-helix	trans	-67.7	-20.2	177	-55.5	0	0	0	0	113.8	L319 H321	L319-S323 VanDerWaalsContact O-CB 3.23Å; L319-S323 WeakPolarHBondContact O-CB 3.03Å; L319-S323 PolarHBondContact O-N 2.76Å; L319-S323 PolarHBondContact O-OG 2.7Å; H321-S323 VanDerWaalsContact C-N 3.32Å
324	S	54	Low	55.8	Low	79 Å²	79	89 Å²	89	55%	0.552	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-5.8	176.7	66.2	0	0	0	0	114.3	K320 H321 L322	K320-S324 PolarHBondContact O-N 3.43Å; H321-S324 PolarHBondContact O-N 3.09Å; H321-S324 PolarHBondContact O-OG 3.16Å; L322-S324 PolarHBondContact O-N 3.2Å
325	L	54.3	Low	56.6	Low	80 Å²	80	89.7 Å²	89.7	42%	0.419	43%	0.428	S	S	.	.			trans	-88.3	103.5	172.4	-72	162.4	0	0	0	108.1	L322 E327 M331	L322-L325 HydrophobicContact CD2-CD1 4.44Å; L322-L325 PolarHBondContact O-N 2.94Å; L325-E327 PolarHBondContact O-N 2.74Å; L325-E327 VanDerWaalsContact O-N 3.07Å; L325-M331 HydrophobicContact CB-CE 4.34Å
326	E	50.5	Low	57.1	Low	191 Å²	191	91.9 Å²	91.9	89%	0.893	44%	0.444	S	S	*	.	S	Bend	trans	-61	-14	-176.4	-76	177.4	156.6	0	0	114.1
327	E	59.9	Low	57.6	Low	115 Å²	115	85.3 Å²	85.3	54%	0.537	43%	0.427	S	S	.	.			trans	-102.7	89.2	179.4	-68.3	-173.3	168.3	0	0	112.6	L325 D329 E330 M331	L325-E327 PolarHBondContact O-N 2.74Å; L325-E327 VanDerWaalsContact O-N 3.07Å; E327-D329 PolarHBondContact O-N 3.08Å; E327-D329 VanDerWaalsContact O-N 3.16Å; E327-E330 HydrophobicContact CB-CB 3.78Å; E327-E330 PolarHBondContact O-N 2.97Å; E327-M331 PolarHBondContact O-N 3.39Å
328	K	57.4	Low	57.8	Low	127 Å²	127	83.6 Å²	83.6	55%	0.552	43%	0.426	S	S	*	.	H	α-helix	trans	-52.5	-34	173.7	-69.2	-179	179.1	177.6	0	112.9	R332	K328-R332 WeakPolarHBondContact O-CG 3.47Å; K328-R332 PolarHBondContact O-N 3.39Å; K328-R332 VanDerWaalsContact O-N 3.09Å
329	D	58.3	Low	58.1	Low	111 Å²	111	84.6 Å²	84.6	59%	0.594	43%	0.428	S	S	*	.	H	α-helix	trans	-77.7	-35.8	-178.3	-69.5	-33.4	0	0	0	113.1	E327 M331 R332 L333	E327-D329 PolarHBondContact O-N 3.08Å; E327-D329 VanDerWaalsContact O-N 3.16Å; D329-M331 VanDerWaalsContact C-N 3.31Å; D329-M331 PolarHBondContact O-N 3.01Å; D329-R332 PolarHBondContact O-N 2.93Å; D329-R332 IonicContact OD1-NH1 2.78Å; D329-R332 PolarHBondContact OD1-NH1 3.38Å; D329-L333 WeakPolarHBondContact O-CB 3.24Å; D329-L333 PolarHBondContact O-N 3Å
330	E	59	Low	58.6	Low	73 Å²	73	87.4 Å²	87.4	34%	0.341	44%	0.439	S	S	.	.	H	α-helix	trans	-66.9	-38.2	174.9	-155.6	-154.5	176	0	0	110.6	E327 L333 K334	E327-E330 HydrophobicContact CB-CB 3.78Å; E327-E330 PolarHBondContact O-N 2.97Å; E330-L333 PolarHBondContact O-N 3.47Å; E330-K334 WeakPolarHBondContact O-CB 3.5Å; E330-K334 VanDerWaalsContact O-CG 3.31Å; E330-K334 WeakPolarHBondContact O-CG 3.34Å; E330-K334 PolarHBondContact O-N 3.26Å; E330-K334 WeakPolarHBondContact OE1-CE 3.39Å; E330-K334 IonicContact OE1-NZ 3.55Å; E330-K334 PolarHBondContact OE1-NZ 2.97Å; E330-K334 IonicContact OE2-NZ 3.5Å; E330-K334 PolarHBondContact OE2-NZ 3.47Å
331	M	58.7	Low	59	Low	17 Å²	17	84.1 Å²	84.1	8%	0.084	43%	0.428	C	S	.	.	H	α-helix	trans	-62.4	-46.5	172.6	-167.2	-160.6	-64.4	0	0	111.8	L322 L325 E327 D329 L333 K334 F335 L397	L322-M331 VanDerWaalsContact C-CE 3.5Å; L322-M331 HydrophobicContact CB-CE 3.67Å; L322-M331 HydrophobicContact CB-SD 4.08Å; L322-M331 HydrophobicContact CD2-CE 4.01Å; L322-M331 HydrophobicContact CD2-CG 3.98Å; L322-M331 HydrophobicContact CD2-SD 3.85Å; L322-M331 HydrophobicContact CG-CE 4.42Å; L322-M331 HydrophobicContact CG-SD 4.39Å; L322-M331 WeakPolarHBondContact O-CE 3.36Å; L325-M331 HydrophobicContact CB-CE 4.34Å; E327-M331 PolarHBondContact O-N 3.39Å; D329-M331 VanDerWaalsContact C-N 3.31Å; D329-M331 PolarHBondContact O-N 3.01Å; M331-L333 VanDerWaalsContact C-N 3.31Å; M331-L333 PolarHBondContact O-N 3.31Å; M331-K334 PolarHBondContact O-N 2.97Å; M331-F335 HydrophobicContact CG-CD2 3.74Å; M331-F335 HydrophobicContact CG-CE2 3.65Å; M331-F335 VanDerWaalsContact O-CD2 3.3Å; M331-F335 WeakPolarHBondContact O-CD2 3.36Å; M331-F335 PolarHBondContact O-N 3.18Å; M331-F335 HydrophobicContact SD-CD2 4.39Å; M331-F335 HydrophobicContact SD-CE2 3.98Å; M331-L397 HydrophobicContact SD-CD2 4.02Å
332	R	61.2	Low	59.5	Low	82 Å²	82	79.8 Å²	79.8	31%	0.309	41%	0.408	S	S	.	.	H	α-helix	trans	-57.8	-42.9	174.3	-78.6	173.4	176.9	170.3	-4	111.8	K328 D329 F335 S336 D400 I401 F403	K328-R332 WeakPolarHBondContact O-CG 3.47Å; K328-R332 PolarHBondContact O-N 3.39Å; K328-R332 VanDerWaalsContact O-N 3.09Å; D329-R332 PolarHBondContact O-N 2.93Å; D329-R332 IonicContact OD1-NH1 2.78Å; D329-R332 PolarHBondContact OD1-NH1 3.38Å; R332-F335 PolarHBondContact O-N 3.5Å; R332-S336 VanDerWaalsContact O-CB 3.26Å; R332-S336 WeakPolarHBondContact O-CB 3.26Å; R332-S336 PolarHBondContact O-N 3.24Å; R332-D400 PolarHBondContact NH2-O 3.12Å; R332-I401 HydrophobicContact CG-CG2 4.05Å; R332-F403 HydrophobicContact CG-CE1 4.43Å
333	L	60.6	Low	60.1	Low	122 Å²	122	80 Å²	80	64%	0.639	41%	0.411	S	S	*	.	H	α-helix	trans	-66.4	-39.8	179.9	-154.1	111	0	0	0	111.9	D329 E330 M331 S337	D329-L333 WeakPolarHBondContact O-CB 3.24Å; D329-L333 PolarHBondContact O-N 3Å; E330-L333 PolarHBondContact O-N 3.47Å; M331-L333 VanDerWaalsContact C-N 3.31Å; M331-L333 PolarHBondContact O-N 3.31Å; L333-S337 VanDerWaalsContact O-CB 3.28Å; L333-S337 WeakPolarHBondContact O-CB 3.42Å; L333-S337 PolarHBondContact O-N 2.96Å; L333-S337 PolarHBondContact O-OG 3.46Å
334	K	61.5	Low	60.8	Low	96 Å²	96	83.5 Å²	83.5	42%	0.417	41%	0.408	S	S	.	.	H	α-helix	trans	-65.4	-46.8	175	-74.7	169.5	-177.7	163.3	0	111.7	E330 M331 S337 L338	E330-K334 WeakPolarHBondContact O-CB 3.5Å; E330-K334 VanDerWaalsContact O-CG 3.31Å; E330-K334 WeakPolarHBondContact O-CG 3.34Å; E330-K334 PolarHBondContact O-N 3.26Å; E330-K334 WeakPolarHBondContact OE1-CE 3.39Å; E330-K334 IonicContact OE1-NZ 3.55Å; E330-K334 PolarHBondContact OE1-NZ 2.97Å; E330-K334 IonicContact OE2-NZ 3.5Å; E330-K334 PolarHBondContact OE2-NZ 3.47Å; M331-K334 PolarHBondContact O-N 2.97Å; K334-S337 PolarHBondContact O-N 3.39Å; K334-L338 WeakPolarHBondContact O-CB 3.32Å; K334-L338 PolarHBondContact O-N 3.3Å
335	F	62	Low	61.3	Low	16 Å²	16	82.1 Å²	82.1	7%	0.07	39%	0.394	C	S	.	.	H	α-helix	trans	-64.5	-43.6	175.8	-84.9	-69.6	0	0	0	112.6	L322 M331 R332 S337 L338 Y339 V390 L393 F403	L322-F335 HydrophobicContact CD1-CE2 4.11Å; L322-F335 HydrophobicContact CD1-CZ 3.89Å; L322-F335 HydrophobicContact CD2-CE2 3.81Å; L322-F335 HydrophobicContact CD2-CZ 4.07Å; M331-F335 HydrophobicContact CG-CD2 3.74Å; M331-F335 HydrophobicContact CG-CE2 3.65Å; M331-F335 VanDerWaalsContact O-CD2 3.3Å; M331-F335 WeakPolarHBondContact O-CD2 3.36Å; M331-F335 PolarHBondContact O-N 3.18Å; M331-F335 HydrophobicContact SD-CD2 4.39Å; M331-F335 HydrophobicContact SD-CE2 3.98Å; R332-F335 PolarHBondContact O-N 3.5Å; F335-S337 VanDerWaalsContact C-N 3.3Å; F335-S337 PolarHBondContact O-N 2.94Å; F335-L338 PolarHBondContact O-N 3.47Å; F335-Y339 WeakPolarHBondContact O-CB 3.45Å; F335-Y339 PolarHBondContact O-N 3.27Å; F335-V390 HydrophobicContact CD1-CG1 4.45Å; F335-L393 HydrophobicContact CE1-CB 4.21Å; F335-L393 HydrophobicContact CE1-CD1 3.69Å; F335-L393 HydrophobicContact CZ-CB 4.39Å; F335-L393 HydrophobicContact CZ-CD1 3.97Å; F335-F403 HydrophobicContact CB-CE1 3.97Å; F335-F403 HydrophobicContact CB-CZ 4.45Å
336	S	60.7	Low	62.1	Low	52 Å²	52	82.8 Å²	82.8	36%	0.364	39%	0.392	S	S	.	.	H	α-helix	trans	-60.6	-39.9	175.2	-174.5	0	0	0	0	111.9	R332 Y339 K340	R332-S336 VanDerWaalsContact O-CB 3.26Å; R332-S336 WeakPolarHBondContact O-CB 3.26Å; R332-S336 PolarHBondContact O-N 3.24Å; S336-Y339 PolarHBondContact O-N 2.93Å; S336-K340 WeakPolarHBondContact O-CB 3.34Å; S336-K340 WeakPolarHBondContact O-CG 3.34Å; S336-K340 PolarHBondContact O-N 2.82Å
337	S	62.7	Low	63	Low	51 Å²	51	80.8 Å²	80.8	36%	0.357	38%	0.376	S	S	.	.	H	α-helix	trans	-67.2	-44.2	176.4	-62.6	0	0	0	0	112.1	L333 K334 F335 K340 I341	L333-S337 VanDerWaalsContact O-CB 3.28Å; L333-S337 WeakPolarHBondContact O-CB 3.42Å; L333-S337 PolarHBondContact O-N 2.96Å; L333-S337 PolarHBondContact O-OG 3.46Å; K334-S337 PolarHBondContact O-N 3.39Å; F335-S337 VanDerWaalsContact C-N 3.3Å; F335-S337 PolarHBondContact O-N 2.94Å; S337-K340 PolarHBondContact O-N 3.27Å; S337-I341 WeakPolarHBondContact O-CB 3.49Å; S337-I341 WeakPolarHBondContact O-CD1 3.31Å; S337-I341 VanDerWaalsContact O-CG1 3.22Å; S337-I341 WeakPolarHBondContact O-CG1 3.24Å; S337-I341 PolarHBondContact O-N 2.95Å
338	L	59	Low	63.4	Low	80 Å²	80	83.5 Å²	83.5	42%	0.419	38%	0.381	S	S	.	.	H	α-helix	trans	-59.8	-45.1	174.4	-84.8	158.8	0	0	0	111.5	K334 F335 I341 N342	K334-L338 WeakPolarHBondContact O-CB 3.32Å; K334-L338 PolarHBondContact O-N 3.3Å; F335-L338 PolarHBondContact O-N 3.47Å; L338-I341 PolarHBondContact O-N 3.29Å; L338-N342 VanDerWaalsContact O-CB 3.29Å; L338-N342 WeakPolarHBondContact O-CB 3.48Å; L338-N342 PolarHBondContact O-N 3.41Å
339	Y	63.3	Low	63.8	Low	53 Å²	53	77.6 Å²	77.6	21%	0.208	36%	0.356	C	S	.	.	H	α-helix	trans	-59.1	-52	175.3	-170	-90.7	0	0	0	111.1	F335 S336 I341 N342 S343 H387 V390	F335-Y339 WeakPolarHBondContact O-CB 3.45Å; F335-Y339 PolarHBondContact O-N 3.27Å; S336-Y339 PolarHBondContact O-N 2.93Å; Y339-I341 VanDerWaalsContact C-N 3.34Å; Y339-I341 PolarHBondContact O-N 2.87Å; Y339-N342 PolarHBondContact O-N 3.11Å; Y339-S343 PolarHBondContact O-N 3.48Å; Y339-S343 PolarHBondContact O-OG 2.82Å; Y339-H387 AromaticContact CE2-CE1 3.44Å; Y339-H387 VanDerWaalsContact CE2-CE1 3.44Å; Y339-H387 WeakPolarHBondContact CE2-CE1 3.48Å; Y339-H387 AromaticContact CE2-NE2 3.46Å; Y339-H387 WeakPolarHBondContact CE2-NE2 3.17Å; Y339-H387 AromaticContact CZ-CE1 3.8Å; Y339-H387 AromaticContact CZ-NE2 3.66Å; Y339-V390 HydrophobicContact CD2-CG1 4.03Å
340	K	66.5	Low	64.4	Low	102 Å²	102	75.5 Å²	75.5	44%	0.443	34%	0.343	S	S	.	.	H	α-helix	trans	-57.7	-42.5	178	-77.7	175.2	-178	173	0	112.9	S336 S337 R344	S336-K340 WeakPolarHBondContact O-CB 3.34Å; S336-K340 WeakPolarHBondContact O-CG 3.34Å; S336-K340 PolarHBondContact O-N 2.82Å; S337-K340 PolarHBondContact O-N 3.27Å; K340-R344 WeakPolarHBondContact O-CB 3.44Å; K340-R344 WeakPolarHBondContact O-CG 3.14Å; K340-R344 PolarHBondContact O-N 3.08Å; K340-R344 VanDerWaalsContact O-N 3.13Å
341	I	65.7	Low	65	Low	96 Å²	96	77.9 Å²	77.9	49%	0.492	35%	0.354	S	S	.	.	H	α-helix	trans	-66.2	-48	178.1	-70	165.2	0	0	0	110	S337 L338 Y339 S343 R344 L345	S337-I341 WeakPolarHBondContact O-CB 3.49Å; S337-I341 WeakPolarHBondContact O-CD1 3.31Å; S337-I341 VanDerWaalsContact O-CG1 3.22Å; S337-I341 WeakPolarHBondContact O-CG1 3.24Å; S337-I341 PolarHBondContact O-N 2.95Å; L338-I341 PolarHBondContact O-N 3.29Å; Y339-I341 VanDerWaalsContact C-N 3.34Å; Y339-I341 PolarHBondContact O-N 2.87Å; I341-S343 PolarHBondContact O-N 3.36Å; I341-R344 PolarHBondContact O-N 3.17Å; I341-L345 HydrophobicContact CG2-CD1 3.84Å; I341-L345 HydrophobicContact CG2-CG 4.36Å; I341-L345 WeakPolarHBondContact O-CG 3.39Å; I341-L345 PolarHBondContact O-N 2.95Å
342	N	66.6	Low	65.3	Low	7 Å²	7	78.9 Å²	78.9	4%	0.037	36%	0.362	C	S	.	.	H	α-helix	trans	-62.6	-44.2	-179.3	-165.9	19.9	0	0	0	111.6	L338 Y339 R344 L345 R346 L383 I386 H387	L338-N342 VanDerWaalsContact O-CB 3.29Å; L338-N342 WeakPolarHBondContact O-CB 3.48Å; L338-N342 PolarHBondContact O-N 3.41Å; Y339-N342 PolarHBondContact O-N 3.11Å; N342-R344 VanDerWaalsContact C-N 3.33Å; N342-R344 PolarHBondContact O-N 2.91Å; N342-L345 PolarHBondContact O-N 3.23Å; N342-R346 WeakPolarHBondContact O-CB 3.38Å; N342-R346 PolarHBondContact O-N 3.46Å; N342-L383 PolarHBondContact ND2-O 2.89Å; N342-L383 WeakPolarHBondContact OD1-CD2 3.31Å; N342-L383 PolarHBondContact OD1-O 3.47Å; N342-I386 WeakPolarHBondContact ND2-CG2 3.16Å; N342-H387 WeakPolarHBondContact ND2-CA 3.35Å; N342-H387 PolarHBondContact ND2-N 2.93Å; N342-H387 VanDerWaalsContact ND2-N 3.18Å
343	S	66.9	Low	65.6	Low	25 Å²	25	76 Å²	76	18%	0.175	36%	0.355	C	S	.	.	H	α-helix	trans	-61.6	-38.5	175.5	-51.8	0	0	0	0	112.8	Y339 I341 R347	Y339-S343 PolarHBondContact O-N 3.48Å; Y339-S343 PolarHBondContact O-OG 2.82Å; I341-S343 PolarHBondContact O-N 3.36Å; S343-R347 PolarHBondContact O-N 2.96Å; S343-R347 VanDerWaalsContact O-N 3.07Å
344	R	68.4	Low	66.1	Low	178 Å²	178	75.2 Å²	75.2	67%	0.672	35%	0.351	S	S	*	.	H	α-helix	trans	-67.5	-42.3	175.8	-78.9	177.5	176.3	-178.3	0.3	112	K340 I341 N342 R347 R348	K340-R344 WeakPolarHBondContact O-CB 3.44Å; K340-R344 WeakPolarHBondContact O-CG 3.14Å; K340-R344 PolarHBondContact O-N 3.08Å; K340-R344 VanDerWaalsContact O-N 3.13Å; I341-R344 PolarHBondContact O-N 3.17Å; N342-R344 VanDerWaalsContact C-N 3.33Å; N342-R344 PolarHBondContact O-N 2.91Å; R344-R347 PolarHBondContact O-N 3.08Å; R344-R348 PolarHBondContact O-N 3.37Å; R344-R348 VanDerWaalsContact O-N 3.08Å
345	L	64.7	Low	66.3	Low	50 Å²	50	77.1 Å²	77.1	26%	0.262	36%	0.363	S	S	.	.	H	α-helix	trans	-64.3	-44.8	177.2	-73.7	172.3	0	0	0	111	I341 N342 R347 R348 A349 L383	I341-L345 HydrophobicContact CG2-CD1 3.84Å; I341-L345 HydrophobicContact CG2-CG 4.36Å; I341-L345 WeakPolarHBondContact O-CG 3.39Å; I341-L345 PolarHBondContact O-N 2.95Å; N342-L345 PolarHBondContact O-N 3.23Å; L345-R347 PolarHBondContact O-N 3.35Å; L345-R348 PolarHBondContact O-N 3.02Å; L345-R348 VanDerWaalsContact O-N 3.17Å; L345-A349 WeakPolarHBondContact O-CB 3.45Å; L345-A349 PolarHBondContact O-N 2.93Å; L345-L383 HydrophobicContact CB-CD1 3.97Å; L345-L383 HydrophobicContact CB-CD2 3.69Å; L345-L383 HydrophobicContact CD1-CD2 3.99Å; L345-L383 HydrophobicContact CG-CD2 4.5Å
346	R	69.8	Low	66.3	Low	95 Å²	95	77.3 Å²	77.3	36%	0.358	36%	0.364	S	S	.	.	H	α-helix	trans	-59.3	-45.5	176.3	-169.7	176.9	179.2	-177.9	0.8	111.7	N342 R348 A349 Q350 L380	N342-R346 WeakPolarHBondContact O-CB 3.38Å; N342-R346 PolarHBondContact O-N 3.46Å; R346-R348 PolarHBondContact O-N 3.36Å; R346-A349 PolarHBondContact O-N 3.32Å; R346-Q350 HydrophobicContact CG-CG 4.46Å; R346-Q350 WeakPolarHBondContact O-CB 3.2Å; R346-Q350 VanDerWaalsContact O-CG 3.23Å; R346-Q350 WeakPolarHBondContact O-CG 3.35Å; R346-Q350 PolarHBondContact O-N 3.2Å; R346-L380 HydrophobicContact CG-CD2 4.28Å
347	R	71.1	Confident	66.6	Low	149 Å²	149	79 Å²	79	56%	0.562	37%	0.372	S	S	*	.	H	α-helix	trans	-58.7	-44.3	174.4	-81.5	-171.2	-122.2	179.6	-5.2	112.5	S343 R344 L345 Q350 Q351	S343-R347 PolarHBondContact O-N 2.96Å; S343-R347 VanDerWaalsContact O-N 3.07Å; R344-R347 PolarHBondContact O-N 3.08Å; L345-R347 PolarHBondContact O-N 3.35Å; R347-Q350 PolarHBondContact O-N 2.89Å; R347-Q351 WeakPolarHBondContact O-CB 3.37Å; R347-Q351 VanDerWaalsContact O-CG 3.27Å; R347-Q351 WeakPolarHBondContact O-CG 3.33Å; R347-Q351 PolarHBondContact O-N 3.16Å
348	R	66.6	Low	66.8	Low	171 Å²	171	83.9 Å²	83.9	65%	0.645	39%	0.387	S	S	*	.	H	α-helix	trans	-67.1	-41.7	178.6	-76.9	-175.1	175.3	-179.1	-0.7	112.5	R344 L345 R346 Q351 S352	R344-R348 PolarHBondContact O-N 3.37Å; R344-R348 VanDerWaalsContact O-N 3.08Å; L345-R348 PolarHBondContact O-N 3.02Å; L345-R348 VanDerWaalsContact O-N 3.17Å; R346-R348 PolarHBondContact O-N 3.36Å; R348-Q351 PolarHBondContact O-N 3.36Å; R348-S352 WeakPolarHBondContact O-CB 3.26Å; R348-S352 PolarHBondContact O-N 3.35Å; R348-S352 PolarHBondContact O-OG 3.11Å
349	A	66.4	Low	66.8	Low	3 Å²	3	83.2 Å²	83.2	3%	0.025	39%	0.387	C	S	.	.	H	α-helix	trans	-65.6	-40.3	176.2	0	0	0	0	0	111	L345 R346 S352 S353 Y376 M379 L380 L383	L345-A349 WeakPolarHBondContact O-CB 3.45Å; L345-A349 PolarHBondContact O-N 2.93Å; R346-A349 PolarHBondContact O-N 3.32Å; A349-S352 PolarHBondContact O-N 3.42Å; A349-S353 VanDerWaalsContact O-CB 3.31Å; A349-S353 WeakPolarHBondContact O-CB 3.26Å; A349-S353 PolarHBondContact O-N 3.19Å; A349-Y376 HydrophobicContact CB-CD1 4.47Å; A349-M379 HydrophobicContact CB-SD 4.32Å; A349-L380 HydrophobicContact CB-CD2 3.54Å; A349-L380 HydrophobicContact CB-CG 3.95Å; A349-L383 HydrophobicContact CB-CD1 4.07Å
350	Q	71.7	Confident	66.6	Low	67 Å²	67	83.3 Å²	83.3	31%	0.313	39%	0.393	S	S	.	.	H	α-helix	trans	-63	-44.9	173.1	-76.2	172.9	-29.6	0	0	112	R346 R347 S352 S353 L354 L380	R346-Q350 HydrophobicContact CG-CG 4.46Å; R346-Q350 WeakPolarHBondContact O-CB 3.2Å; R346-Q350 VanDerWaalsContact O-CG 3.23Å; R346-Q350 WeakPolarHBondContact O-CG 3.35Å; R346-Q350 PolarHBondContact O-N 3.2Å; R347-Q350 PolarHBondContact O-N 2.89Å; Q350-S352 VanDerWaalsContact C-N 3.32Å; Q350-S352 PolarHBondContact O-N 2.83Å; Q350-S353 PolarHBondContact O-N 3.42Å; Q350-L354 WeakPolarHBondContact O-CB 3.42Å; Q350-L354 VanDerWaalsContact O-CG 3.31Å; Q350-L354 WeakPolarHBondContact O-CG 3.48Å; Q350-L354 PolarHBondContact O-N 3.46Å; Q350-L380 HydrophobicContact CG-CD2 3.76Å
351	Q	70.4	Confident	66.2	Low	124 Å²	124	83.2 Å²	83.2	58%	0.579	40%	0.403	S	S	*	.	H	α-helix	trans	-62	-40.4	175.1	-76.3	174.7	-16.5	0	0	112.1	R347 R348 M355	R347-Q351 WeakPolarHBondContact O-CB 3.37Å; R347-Q351 VanDerWaalsContact O-CG 3.27Å; R347-Q351 WeakPolarHBondContact O-CG 3.33Å; R347-Q351 PolarHBondContact O-N 3.16Å; R348-Q351 PolarHBondContact O-N 3.36Å; Q351-M355 WeakPolarHBondContact O-CB 3.44Å; Q351-M355 WeakPolarHBondContact O-CG 3.49Å; Q351-M355 PolarHBondContact O-N 3.04Å
352	S	66.1	Low	65.7	Low	37 Å²	37	85.3 Å²	85.3	26%	0.259	42%	0.415	S	S	.	.	H	α-helix	trans	-69.3	-42.1	178.1	-54.9	0	0	0	0	111.3	R348 A349 Q350 M355 L356	R348-S352 WeakPolarHBondContact O-CB 3.26Å; R348-S352 PolarHBondContact O-N 3.35Å; R348-S352 PolarHBondContact O-OG 3.11Å; A349-S352 PolarHBondContact O-N 3.42Å; Q350-S352 VanDerWaalsContact C-N 3.32Å; Q350-S352 PolarHBondContact O-N 2.83Å; S352-M355 PolarHBondContact O-N 3.39Å; S352-L356 WeakPolarHBondContact O-CB 3.34Å; S352-L356 VanDerWaalsContact O-CG 3.31Å; S352-L356 WeakPolarHBondContact O-CG 3.27Å; S352-L356 PolarHBondContact O-N 3.18Å
353	S	66.9	Low	64.7	Low	22 Å²	22	87.9 Å²	87.9	15%	0.154	43%	0.43	C	S	.	.	H	α-helix	trans	-61.8	-47	174	177.3	0	0	0	0	110.9	A349 Q350 M355 L356 T357	A349-S353 VanDerWaalsContact O-CB 3.31Å; A349-S353 WeakPolarHBondContact O-CB 3.26Å; A349-S353 PolarHBondContact O-N 3.19Å; Q350-S353 PolarHBondContact O-N 3.42Å; S353-M355 PolarHBondContact O-N 2.79Å; S353-L356 CarbonylContact O-C 3.56Å; S353-L356 WeakPolarHBondContact O-CA 3.31Å; S353-L356 WeakPolarHBondContact O-CB 3.29Å; S353-L356 PolarHBondContact O-N 3Å; S353-L356 VanDerWaalsContact O-N 3.1Å; S353-T357 PolarHBondContact O-N 3.08Å; S353-T357 PolarHBondContact O-OG1 3.21Å
354	L	70.7	Confident	63.7	Low	106 Å²	106	92.4 Å²	92.4	56%	0.555	46%	0.462	S	S	*	.	H	α-helix	trans	-60.1	-41.3	174.7	-79.2	165.8	0	0	0	113.1	Q350 L356 T357 K358	Q350-L354 WeakPolarHBondContact O-CB 3.42Å; Q350-L354 VanDerWaalsContact O-CG 3.31Å; Q350-L354 WeakPolarHBondContact O-CG 3.48Å; Q350-L354 PolarHBondContact O-N 3.46Å; L354-L356 VanDerWaalsContact C-N 3.33Å; L354-T357 WeakPolarHBondContact CA-OG1 3.47Å; L354-T357 PolarHBondContact O-N 3.06Å; L354-K358 WeakPolarHBondContact O-CG 3.46Å; L354-K358 PolarHBondContact O-N 3.2Å; L354-K358 VanDerWaalsContact O-N 3.12Å
355	M	66.2	Low	62.5	Low	135 Å²	135	88.9 Å²	88.9	67%	0.665	47%	0.471	S	S	*	.	H	α-helix	trans	-62.2	-43.7	173.7	-77.6	-94.5	171.6	0	0	110.6	Q351 S352 S353 K358 V359	Q351-M355 WeakPolarHBondContact O-CB 3.44Å; Q351-M355 WeakPolarHBondContact O-CG 3.49Å; Q351-M355 PolarHBondContact O-N 3.04Å; S352-M355 PolarHBondContact O-N 3.39Å; S353-M355 PolarHBondContact O-N 2.79Å; M355-K358 PolarHBondContact O-N 2.89Å; M355-V359 VanDerWaalsContact O-CG2 3.26Å; M355-V359 WeakPolarHBondContact O-CG2 3.46Å; M355-V359 PolarHBondContact O-N 3.26Å
356	L	62.5	Low	62.1	Low	20 Å²	20	88.6 Å²	88.6	11%	0.105	47%	0.473	C	S	.	.	H	α-helix	trans	-62.7	-48.7	175.8	-73.9	165.8	0	0	0	110.8	S352 S353 L354 K358 V359 T360 L369 L372 Y376	S352-L356 WeakPolarHBondContact O-CB 3.34Å; S352-L356 VanDerWaalsContact O-CG 3.31Å; S352-L356 WeakPolarHBondContact O-CG 3.27Å; S352-L356 PolarHBondContact O-N 3.18Å; S353-L356 CarbonylContact O-C 3.56Å; S353-L356 WeakPolarHBondContact O-CA 3.31Å; S353-L356 WeakPolarHBondContact O-CB 3.29Å; S353-L356 PolarHBondContact O-N 3Å; S353-L356 VanDerWaalsContact O-N 3.1Å; L354-L356 VanDerWaalsContact C-N 3.33Å; L356-K358 PolarHBondContact O-N 3.46Å; L356-K358 VanDerWaalsContact O-N 3.14Å; L356-V359 CarbonylContact O-C 3.55Å; L356-V359 WeakPolarHBondContact O-CA 3.3Å; L356-V359 PolarHBondContact O-N 3.21Å; L356-T360 PolarHBondContact O-N 2.89Å; L356-T360 PolarHBondContact O-OG1 3.44Å; L356-L369 HydrophobicContact CD2-CD2 3.71Å; L356-L372 HydrophobicContact CD1-CD2 4.07Å; L356-L372 HydrophobicContact CD1-CG 3.95Å; L356-L372 HydrophobicContact CD2-CD2 3.69Å; L356-L372 HydrophobicContact CD2-CG 4.36Å; L356-Y376 HydrophobicContact CD1-CD2 3.22Å; L356-Y376 HydrophobicContact CD1-CE2 3.54Å; L356-Y376 HydrophobicContact CD1-CG 4.14Å
357	T	66.2	Low	61.7	Low	87 Å²	87	87.9 Å²	87.9	53%	0.534	48%	0.483	S	S	.	.	H	α-helix	trans	-59.3	-28.5	178.5	-1.3	0	0	0	0	113.3	S353 L354 P361	S353-T357 PolarHBondContact O-N 3.08Å; S353-T357 PolarHBondContact O-OG1 3.21Å; L354-T357 WeakPolarHBondContact CA-OG1 3.47Å; L354-T357 PolarHBondContact O-N 3.06Å; T357-P361 WeakPolarHBondContact O-CD 3.42Å
358	K	67.9	Low	61.2	Low	154 Å²	154	85.4 Å²	85.4	67%	0.67	48%	0.478	S	S	*	.	H	α-helix	trans	-76	-25.8	172.7	-73.3	178.8	-179.8	-174.5	0	113.5	L354 M355 L356 N362	L354-K358 WeakPolarHBondContact O-CG 3.46Å; L354-K358 PolarHBondContact O-N 3.2Å; L354-K358 VanDerWaalsContact O-N 3.12Å; M355-K358 PolarHBondContact O-N 2.89Å; L356-K358 PolarHBondContact O-N 3.46Å; L356-K358 VanDerWaalsContact O-N 3.14Å; K358-N362 PolarHBondContact O-ND2 3.13Å
359	V	58.9	Low	60.7	Low	67 Å²	67	78.8 Å²	78.8	41%	0.406	46%	0.455	S	S	.	.	H	α-helix	trans	-92.9	-35.8	-178.2	175.5	0	0	0	0	111.6	M355 L356 N362 V363	M355-V359 VanDerWaalsContact O-CG2 3.26Å; M355-V359 WeakPolarHBondContact O-CG2 3.46Å; M355-V359 PolarHBondContact O-N 3.26Å; L356-V359 CarbonylContact O-C 3.55Å; L356-V359 WeakPolarHBondContact O-CA 3.3Å; L356-V359 PolarHBondContact O-N 3.21Å; V359-N362 PolarHBondContact O-N 3.31Å; V359-V363 HydrophobicContact CG1-CG2 3.97Å; V359-V363 WeakPolarHBondContact O-CG2 3.35Å; V359-V363 PolarHBondContact O-N 3.26Å
360	T	58.1	Low	60.6	Low	54 Å²	54	86.1 Å²	86.1	33%	0.331	49%	0.486	S	S	.	.	G	3₁₀ helix	trans	-53.9	-42.8	-179.4	-28.5	0	0	0	0	114.7	L356 N362 V363	L356-T360 PolarHBondContact O-N 2.89Å; L356-T360 PolarHBondContact O-OG1 3.44Å; T360-N362 PolarHBondContact O-N 3.44Å; T360-V363 PolarHBondContact O-N 3.48Å
361	P	58.2	Low	60.4	Low	101 Å²	101	88.8 Å²	88.8	66%	0.656	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-71	-17.9	179.1	24.4	-31.6	0	0	0	113.6	T357	T357-P361 WeakPolarHBondContact O-CD 3.42Å
362	N	55	Low	60	Low	139 Å²	139	86.3 Å²	86.3	74%	0.743	49%	0.487	S	S	*	.	G	3₁₀ helix	trans	-93.6	-4.3	-179.8	-69.6	-35	0	0	0	113.5	K358 V359 T360	K358-N362 PolarHBondContact O-ND2 3.13Å; V359-N362 PolarHBondContact O-N 3.31Å; T360-N362 PolarHBondContact O-N 3.44Å
363	V	46.4	Very low	59.9	Low	61 Å²	61	86.2 Å²	86.2	37%	0.37	49%	0.486	S	S	.	.	S	Bend	trans	-124.2	99.2	-175.9	-174	0	0	0	0	108.5	V359 T360 A365 L369	V359-V363 HydrophobicContact CG1-CG2 3.97Å; V359-V363 WeakPolarHBondContact O-CG2 3.35Å; V359-V363 PolarHBondContact O-N 3.26Å; T360-V363 PolarHBondContact O-N 3.48Å; V363-A365 PolarHBondContact O-N 3.17Å; V363-L369 HydrophobicContact CB-CD1 3.75Å; V363-L369 HydrophobicContact CG1-CD1 3.71Å; V363-L369 HydrophobicContact CG2-CD1 4.11Å
364	S	45.9	Very low	60	Low	121 Å²	121	89 Å²	89	85%	0.846	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	110.9	170	27.1	0	0	0	0	110.2
365	A	43.6	Very low	59.9	Low	103 Å²	103	88.2 Å²	88.2	85%	0.851	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.7	50.4	155.6	0	0	0	0	0	118.6	V363	V363-A365 PolarHBondContact O-N 3.17Å
366	S	56.1	Low	59.9	Low	45 Å²	45	84.4 Å²	84.4	32%	0.315	47%	0.474	S	S	.	.			trans	-93.6	109.3	160.4	170.9	0	0	0	0	110.4	E368 L369 K370	S366-E368 PolarHBondContact O-N 2.81Å; S366-E368 VanDerWaalsContact O-N 3.12Å; S366-E368 WeakPolarHBondContact OG-CB 3.46Å; S366-E368 PolarHBondContact OG-N 3.03Å; S366-L369 PolarHBondContact O-N 2.93Å; S366-L369 PolarHBondContact OG-N 3.19Å; S366-K370 PolarHBondContact O-N 3.21Å
367	S	61.9	Low	60.2	Low	80 Å²	80	86.7 Å²	86.7	56%	0.559	49%	0.486	S	S	*	.	H	α-helix	trans	-53.9	-26.6	171.5	56.3	0	0	0	0	112.4	K371	S367-K371 VanDerWaalsContact O-CG 3.31Å; S367-K371 WeakPolarHBondContact O-CG 3.35Å; S367-K371 PolarHBondContact O-N 3.12Å
368	E	59	Low	60.2	Low	97 Å²	97	85.4 Å²	85.4	45%	0.453	48%	0.48	S	S	.	.	H	α-helix	trans	-69.7	-40.2	176.3	-61.1	-80.7	112.4	0	0	112.3	S366 K370 K371 L372	S366-E368 PolarHBondContact O-N 2.81Å; S366-E368 VanDerWaalsContact O-N 3.12Å; S366-E368 WeakPolarHBondContact OG-CB 3.46Å; S366-E368 PolarHBondContact OG-N 3.03Å; E368-K370 VanDerWaalsContact C-N 3.3Å; E368-K370 PolarHBondContact O-N 3.07Å; E368-K371 PolarHBondContact O-N 2.84Å; E368-K371 IonicContact OE1-NZ 2.76Å; E368-K371 PolarHBondContact OE1-NZ 2.82Å; E368-L372 VanDerWaalsContact O-CB 3.32Å; E368-L372 WeakPolarHBondContact O-CB 3.26Å; E368-L372 PolarHBondContact O-N 3.07Å
369	L	57	Low	60.1	Low	32 Å²	32	80.5 Å²	80.5	17%	0.168	46%	0.46	C	S	.	.	H	α-helix	trans	-65.7	-36.1	175.8	-85.4	167.4	0	0	0	111.5	L356 V363 S366 L372 S373	L356-L369 HydrophobicContact CD2-CD2 3.71Å; V363-L369 HydrophobicContact CB-CD1 3.75Å; V363-L369 HydrophobicContact CG1-CD1 3.71Å; V363-L369 HydrophobicContact CG2-CD1 4.11Å; S366-L369 PolarHBondContact O-N 2.93Å; S366-L369 PolarHBondContact OG-N 3.19Å; L369-L372 PolarHBondContact O-N 2.76Å; L369-S373 PolarHBondContact O-N 3.17Å
370	K	64	Low	60.6	Low	157 Å²	157	78.9 Å²	78.9	68%	0.683	45%	0.449	S	S	*	.	H	α-helix	trans	-67	-45.2	174.3	-167.3	174.6	-178.1	178.2	0	111.5	S366 E368 L372 S373 T374	S366-K370 PolarHBondContact O-N 3.21Å; E368-K370 VanDerWaalsContact C-N 3.3Å; E368-K370 PolarHBondContact O-N 3.07Å; K370-L372 VanDerWaalsContact C-N 3.3Å; K370-L372 PolarHBondContact O-N 2.89Å; K370-S373 PolarHBondContact O-N 2.9Å; K370-T374 PolarHBondContact O-N 3.39Å; K370-T374 PolarHBondContact O-OG1 3.41Å; K370-T374 VanDerWaalsContact O-OG1 3.08Å
371	K	67.4	Low	61.1	Low	123 Å²	123	79.8 Å²	79.8	54%	0.535	45%	0.452	S	S	.	.	H	α-helix	trans	-58.7	-41.7	173.4	-73.5	173.8	-168.4	169.5	0	111.9	S367 E368 T374 F375	S367-K371 VanDerWaalsContact O-CG 3.31Å; S367-K371 WeakPolarHBondContact O-CG 3.35Å; S367-K371 PolarHBondContact O-N 3.12Å; E368-K371 PolarHBondContact O-N 2.84Å; E368-K371 IonicContact OE1-NZ 2.76Å; E368-K371 PolarHBondContact OE1-NZ 2.82Å; K371-T374 VanDerWaalsContact C-OG1 3.28Å; K371-T374 VanDerWaalsContact CA-OG1 3.26Å; K371-T374 WeakPolarHBondContact CA-OG1 3.39Å; K371-T374 PolarHBondContact O-N 3.39Å; K371-T374 PolarHBondContact O-OG1 2.89Å; K371-F375 WeakPolarHBondContact O-CB 3.46Å; K371-F375 PolarHBondContact O-N 3.46Å
372	L	61.5	Low	61.4	Low	72 Å²	72	78 Å²	78	38%	0.377	44%	0.437	S	S	.	.	H	α-helix	trans	-68.3	-42.2	179.7	-168.4	65.6	0	0	0	111.4	L356 E368 L369 K370 F375 Y376	L356-L372 HydrophobicContact CD1-CD2 4.07Å; L356-L372 HydrophobicContact CD1-CG 3.95Å; L356-L372 HydrophobicContact CD2-CD2 3.69Å; L356-L372 HydrophobicContact CD2-CG 4.36Å; E368-L372 VanDerWaalsContact O-CB 3.32Å; E368-L372 WeakPolarHBondContact O-CB 3.26Å; E368-L372 PolarHBondContact O-N 3.07Å; L369-L372 PolarHBondContact O-N 2.76Å; K370-L372 VanDerWaalsContact C-N 3.3Å; K370-L372 PolarHBondContact O-N 2.89Å; L372-F375 WeakPolarHBondContact O-CB 3.28Å; L372-F375 PolarHBondContact O-N 3.48Å; L372-Y376 HydrophobicContact CD1-CD2 4.19Å; L372-Y376 HydrophobicContact CD1-CE2 3.8Å; L372-Y376 HydrophobicContact CD2-CE2 4.35Å; L372-Y376 HydrophobicContact CG-CD2 3.98Å; L372-Y376 HydrophobicContact CG-CE2 3.81Å; L372-Y376 VanDerWaalsContact O-CD2 3.26Å; L372-Y376 WeakPolarHBondContact O-CD2 3.37Å; L372-Y376 PolarHBondContact O-N 2.97Å
373	S	65.5	Low	61.9	Low	34 Å²	34	71.6 Å²	71.6	24%	0.238	40%	0.403	C	S	.	.	H	α-helix	trans	-56.6	-52	171.2	-170.1	0	0	0	0	111	L369 K370 F375 Y376 D377	L369-S373 PolarHBondContact O-N 3.17Å; K370-S373 PolarHBondContact O-N 2.9Å; S373-F375 PolarHBondContact O-N 3.11Å; S373-Y376 PolarHBondContact O-N 3.39Å; S373-Y376 VanDerWaalsContact O-N 3.11Å; S373-D377 PolarHBondContact O-N 3.36Å; S373-D377 VanDerWaalsContact O-OD2 3.12Å
374	T	67.3	Low	62.8	Low	80 Å²	80	69.6 Å²	69.6	49%	0.491	40%	0.395	S	S	.	.	H	α-helix	trans	-61.4	-31.7	179.3	48.1	0	0	0	0	113.1	K370 K371 S378	K370-T374 PolarHBondContact O-N 3.39Å; K370-T374 PolarHBondContact O-OG1 3.41Å; K370-T374 VanDerWaalsContact O-OG1 3.08Å; K371-T374 VanDerWaalsContact C-OG1 3.28Å; K371-T374 VanDerWaalsContact CA-OG1 3.26Å; K371-T374 WeakPolarHBondContact CA-OG1 3.39Å; K371-T374 PolarHBondContact O-N 3.39Å; K371-T374 PolarHBondContact O-OG1 2.89Å; T374-S378 WeakPolarHBondContact O-CB 3.46Å; T374-S378 PolarHBondContact O-N 3.36Å
375	F	68.7	Low	63.6	Low	90 Å²	90	67.5 Å²	67.5	40%	0.395	37%	0.368	S	S	.	.	H	α-helix	trans	-69.4	-44.6	174.5	174.8	-101.1	0	0	0	112	K371 L372 S373 D377 S378 M379	K371-F375 WeakPolarHBondContact O-CB 3.46Å; K371-F375 PolarHBondContact O-N 3.46Å; L372-F375 WeakPolarHBondContact O-CB 3.28Å; L372-F375 PolarHBondContact O-N 3.48Å; S373-F375 PolarHBondContact O-N 3.11Å; F375-D377 VanDerWaalsContact C-N 3.32Å; F375-D377 PolarHBondContact O-N 3.24Å; F375-S378 PolarHBondContact O-N 3.43Å; F375-M379 HydrophobicContact CD1-CE 3.9Å; F375-M379 HydrophobicContact CE1-CE 3.18Å; F375-M379 HydrophobicContact CZ-CE 3.64Å; F375-M379 WeakPolarHBondContact O-CB 3.37Å; F375-M379 PolarHBondContact O-N 3.12Å
376	Y	67.8	Low	64.4	Low	56 Å²	56	64.8 Å²	64.8	22%	0.22	34%	0.339	C	S	.	.	H	α-helix	trans	-65.5	-36.2	175.5	-84.8	-73.3	0	0	0	112.2	A349 L356 L372 S373 M379 L380	A349-Y376 HydrophobicContact CB-CD1 4.47Å; L356-Y376 HydrophobicContact CD1-CD2 3.22Å; L356-Y376 HydrophobicContact CD1-CE2 3.54Å; L356-Y376 HydrophobicContact CD1-CG 4.14Å; L372-Y376 HydrophobicContact CD1-CD2 4.19Å; L372-Y376 HydrophobicContact CD1-CE2 3.8Å; L372-Y376 HydrophobicContact CD2-CE2 4.35Å; L372-Y376 HydrophobicContact CG-CD2 3.98Å; L372-Y376 HydrophobicContact CG-CE2 3.81Å; L372-Y376 VanDerWaalsContact O-CD2 3.26Å; L372-Y376 WeakPolarHBondContact O-CD2 3.37Å; L372-Y376 PolarHBondContact O-N 2.97Å; S373-Y376 PolarHBondContact O-N 3.39Å; S373-Y376 VanDerWaalsContact O-N 3.11Å; Y376-M379 HydrophobicContact CD1-CE 4.29Å; Y376-M379 HydrophobicContact CE1-CE 4.34Å; Y376-M379 PolarHBondContact O-N 3.39Å; Y376-L380 WeakPolarHBondContact O-CB 3.5Å; Y376-L380 VanDerWaalsContact O-CG 3.26Å; Y376-L380 WeakPolarHBondContact O-CG 3.41Å; Y376-L380 PolarHBondContact O-N 3.05Å
377	D	68.1	Low	64.8	Low	67 Å²	67	63.5 Å²	63.5	36%	0.358	33%	0.328	S	S	.	.	H	α-helix	trans	-64.9	-45.3	174.3	-62.5	-29.2	0	0	0	110.7	S373 F375 M379 L380 D381	S373-D377 PolarHBondContact O-N 3.36Å; S373-D377 VanDerWaalsContact O-OD2 3.12Å; F375-D377 VanDerWaalsContact C-N 3.32Å; F375-D377 PolarHBondContact O-N 3.24Å; D377-M379 VanDerWaalsContact C-N 3.31Å; D377-M379 PolarHBondContact O-N 2.96Å; D377-L380 PolarHBondContact O-N 2.93Å; D377-D381 PolarHBondContact O-N 2.94Å
378	S	65.6	Low	64.9	Low	60 Å²	60	62.9 Å²	62.9	42%	0.42	32%	0.323	S	S	.	.	H	α-helix	trans	-60.2	-39.4	173.4	-172.9	0	0	0	0	112.5	T374 F375 D381 D382	T374-S378 WeakPolarHBondContact O-CB 3.46Å; T374-S378 PolarHBondContact O-N 3.36Å; F375-S378 PolarHBondContact O-N 3.43Å; S378-D381 WeakPolarHBondContact O-CB 3.41Å; S378-D381 PolarHBondContact O-N 3.35Å; S378-D382 PolarHBondContact O-N 3.04Å
379	M	65.7	Low	65	Low	52 Å²	52	59.2 Å²	59.2	26%	0.256	31%	0.307	S	S	.	.	H	α-helix	trans	-68.6	-38.5	177.1	-168.1	-168.6	-50.8	0	0	111.4	A349 F375 Y376 D377 D381 D382 L383	A349-M379 HydrophobicContact CB-SD 4.32Å; F375-M379 HydrophobicContact CD1-CE 3.9Å; F375-M379 HydrophobicContact CE1-CE 3.18Å; F375-M379 HydrophobicContact CZ-CE 3.64Å; F375-M379 WeakPolarHBondContact O-CB 3.37Å; F375-M379 PolarHBondContact O-N 3.12Å; Y376-M379 HydrophobicContact CD1-CE 4.29Å; Y376-M379 HydrophobicContact CE1-CE 4.34Å; Y376-M379 PolarHBondContact O-N 3.39Å; D377-M379 VanDerWaalsContact C-N 3.31Å; D377-M379 PolarHBondContact O-N 2.96Å; M379-D381 VanDerWaalsContact C-N 3.33Å; M379-D382 PolarHBondContact O-N 2.92Å; M379-L383 HydrophobicContact CG-CD1 4.12Å; M379-L383 WeakPolarHBondContact O-CB 3.39Å; M379-L383 WeakPolarHBondContact O-CD1 3.43Å; M379-L383 WeakPolarHBondContact O-CG 3.29Å; M379-L383 PolarHBondContact O-N 3.28Å
380	L	70.3	Confident	65.2	Low	32 Å²	32	58 Å²	58	17%	0.168	30%	0.301	C	S	.	.	H	α-helix	trans	-64.7	-39	174.1	-76.3	169.9	0	0	0	111.5	R346 A349 Q350 Y376 D377 G384	R346-L380 HydrophobicContact CG-CD2 4.28Å; A349-L380 HydrophobicContact CB-CD2 3.54Å; A349-L380 HydrophobicContact CB-CG 3.95Å; Q350-L380 HydrophobicContact CG-CD2 3.76Å; Y376-L380 WeakPolarHBondContact O-CB 3.5Å; Y376-L380 VanDerWaalsContact O-CG 3.26Å; Y376-L380 WeakPolarHBondContact O-CG 3.41Å; Y376-L380 PolarHBondContact O-N 3.05Å; D377-L380 PolarHBondContact O-N 2.93Å; L380-G384 PolarHBondContact O-N 3.47Å
381	D	67.8	Low	65.2	Low	74 Å²	74	56.4 Å²	56.4	40%	0.396	29%	0.29	S	S	.	.	H	α-helix	trans	-61.3	-48.4	172.1	-81.1	-4.7	0	0	0	111	D377 S378 M379 L383 G384 R385	D377-D381 PolarHBondContact O-N 2.94Å; S378-D381 WeakPolarHBondContact O-CB 3.41Å; S378-D381 PolarHBondContact O-N 3.35Å; M379-D381 VanDerWaalsContact C-N 3.33Å; D381-L383 PolarHBondContact O-N 3.36Å; D381-G384 CarbonylContact O-C 3.52Å; D381-G384 WeakPolarHBondContact O-CA 3.41Å; D381-G384 PolarHBondContact O-N 2.94Å; D381-R385 VanDerWaalsContact O-CG 3.3Å; D381-R385 WeakPolarHBondContact O-CG 3.42Å; D381-R385 PolarHBondContact O-N 3.46Å
382	D	65.2	Low	64.9	Low	62 Å²	62	52.6 Å²	52.6	33%	0.332	27%	0.274	S	S	.	.	H	α-helix	trans	-64.3	-41.4	179	-73.4	-26.7	0	0	0	112.7	S378 M379 G384 R385 I386	S378-D382 PolarHBondContact O-N 3.04Å; M379-D382 PolarHBondContact O-N 2.92Å; D382-G384 VanDerWaalsContact C-N 3.3Å; D382-G384 PolarHBondContact O-N 3.38Å; D382-R385 WeakPolarHBondContact O-CB 3.31Å; D382-R385 PolarHBondContact O-N 3.28Å; D382-R385 IonicContact OD1-CZ 3.64Å; D382-R385 IonicContact OD1-NE 3.95Å; D382-R385 IonicContact OD1-NH1 3.77Å; D382-R385 PolarHBondContact OD1-NH1 3.44Å; D382-I386 WeakPolarHBondContact O-CG1 3.23Å; D382-I386 PolarHBondContact O-N 2.93Å
383	L	64.6	Low	64.7	Low	6 Å²	6	49.6 Å²	49.6	3%	0.031	26%	0.259	C	S	.	.	H	α-helix	trans	-65.3	-36.1	174.1	-68.4	167.9	0	0	0	111.4	N342 L345 A349 M379 D381 H387	N342-L383 PolarHBondContact ND2-O 2.89Å; N342-L383 WeakPolarHBondContact OD1-CD2 3.31Å; N342-L383 PolarHBondContact OD1-O 3.47Å; L345-L383 HydrophobicContact CB-CD1 3.97Å; L345-L383 HydrophobicContact CB-CD2 3.69Å; L345-L383 HydrophobicContact CD1-CD2 3.99Å; L345-L383 HydrophobicContact CG-CD2 4.5Å; A349-L383 HydrophobicContact CB-CD1 4.07Å; M379-L383 HydrophobicContact CG-CD1 4.12Å; M379-L383 WeakPolarHBondContact O-CB 3.39Å; M379-L383 WeakPolarHBondContact O-CD1 3.43Å; M379-L383 WeakPolarHBondContact O-CG 3.29Å; M379-L383 PolarHBondContact O-N 3.28Å; D381-L383 PolarHBondContact O-N 3.36Å; L383-H387 WeakPolarHBondContact O-CB 3.37Å; L383-H387 PolarHBondContact O-N 2.86Å
384	G	66.6	Low	64.5	Low	19 Å²	19	50.5 Å²	50.5	20%	0.196	26%	0.259	C	S	.	.	H	α-helix	trans	-61.9	-46	171.3	0	0	0	0	0	112.3	L380 D381 D382 I386 H387 S388	L380-G384 PolarHBondContact O-N 3.47Å; D381-G384 CarbonylContact O-C 3.52Å; D381-G384 WeakPolarHBondContact O-CA 3.41Å; D381-G384 PolarHBondContact O-N 2.94Å; D382-G384 VanDerWaalsContact C-N 3.3Å; D382-G384 PolarHBondContact O-N 3.38Å; G384-I386 PolarHBondContact O-N 2.81Å; G384-H387 WeakPolarHBondContact O-CB 3.39Å; G384-H387 PolarHBondContact O-N 3.15Å; G384-H387 VanDerWaalsContact O-N 3.12Å; G384-S388 PolarHBondContact O-N 3.39Å; G384-S388 PolarHBondContact O-OG 2.9Å
385	R	62.4	Low	64.1	Low	77 Å²	77	52.6 Å²	52.6	29%	0.291	27%	0.272	S	S	.	.	H	α-helix	trans	-58.3	-47.1	175.6	-70.5	169.6	-170.8	171.7	-2	111.7	F307 D381 D382 H387 S388 L389	F307-R385 HydrophobicContact CD2-CG 3.95Å; F307-R385 HydrophobicContact CE2-CG 4.1Å; F307-R385 HydrophobicContact CG-CG 4.43Å; D381-R385 VanDerWaalsContact O-CG 3.3Å; D381-R385 WeakPolarHBondContact O-CG 3.42Å; D381-R385 PolarHBondContact O-N 3.46Å; D382-R385 WeakPolarHBondContact O-CB 3.31Å; D382-R385 PolarHBondContact O-N 3.28Å; D382-R385 IonicContact OD1-CZ 3.64Å; D382-R385 IonicContact OD1-NE 3.95Å; D382-R385 IonicContact OD1-NH1 3.77Å; D382-R385 PolarHBondContact OD1-NH1 3.44Å; R385-H387 VanDerWaalsContact C-N 3.27Å; R385-H387 PolarHBondContact O-N 3.09Å; R385-S388 PolarHBondContact O-N 2.85Å; R385-L389 WeakPolarHBondContact O-CB 3.47Å; R385-L389 PolarHBondContact O-N 2.89Å
386	I	60.3	Low	63.3	Low	45 Å²	45	53.1 Å²	53.1	23%	0.231	27%	0.271	C	S	.	.	H	α-helix	trans	-62.6	-37.3	177.1	-65.3	166.4	0	0	0	110.6	L285 N342 D382 G384 L389 V390	L285-I386 HydrophobicContact CD2-CD1 3.77Å; N342-I386 WeakPolarHBondContact ND2-CG2 3.16Å; D382-I386 WeakPolarHBondContact O-CG1 3.23Å; D382-I386 PolarHBondContact O-N 2.93Å; G384-I386 PolarHBondContact O-N 2.81Å; I386-L389 PolarHBondContact O-N 3.44Å; I386-V390 HydrophobicContact CG2-CG2 4.48Å; I386-V390 VanDerWaalsContact O-CG2 3.31Å; I386-V390 WeakPolarHBondContact O-CG2 3.26Å; I386-V390 PolarHBondContact O-N 2.93Å
387	H	63.9	Low	62.7	Low	18 Å²	18	51.5 Å²	51.5	8%	0.083	27%	0.266	C	S	.	.	H	α-helix	trans	-68.6	-39	179.2	-153.8	-75.7	0	0	0	112.4	Y339 N342 L383 G384 R385 R391	Y339-H387 AromaticContact CE2-CE1 3.44Å; Y339-H387 VanDerWaalsContact CE2-CE1 3.44Å; Y339-H387 WeakPolarHBondContact CE2-CE1 3.48Å; Y339-H387 AromaticContact CE2-NE2 3.46Å; Y339-H387 WeakPolarHBondContact CE2-NE2 3.17Å; Y339-H387 AromaticContact CZ-CE1 3.8Å; Y339-H387 AromaticContact CZ-NE2 3.66Å; N342-H387 WeakPolarHBondContact ND2-CA 3.35Å; N342-H387 PolarHBondContact ND2-N 2.93Å; N342-H387 VanDerWaalsContact ND2-N 3.18Å; L383-H387 WeakPolarHBondContact O-CB 3.37Å; L383-H387 PolarHBondContact O-N 2.86Å; G384-H387 WeakPolarHBondContact O-CB 3.39Å; G384-H387 PolarHBondContact O-N 3.15Å; G384-H387 VanDerWaalsContact O-N 3.12Å; R385-H387 VanDerWaalsContact C-N 3.27Å; R385-H387 PolarHBondContact O-N 3.09Å; H387-R391 PolarHBondContact O-N 3.28Å; H387-R391 VanDerWaalsContact O-N 3.11Å
388	S	64.4	Low	61.8	Low	67 Å²	67	52.2 Å²	52.2	47%	0.469	27%	0.274	S	S	.	.	H	α-helix	trans	-65.9	-40.6	173.7	-63	0	0	0	0	111.6	G384 R385 R391 E392	G384-S388 PolarHBondContact O-N 3.39Å; G384-S388 PolarHBondContact O-OG 2.9Å; R385-S388 PolarHBondContact O-N 2.85Å; S388-R391 PolarHBondContact O-N 3.43Å; S388-E392 WeakPolarHBondContact O-CB 3.42Å; S388-E392 PolarHBondContact O-N 2.94Å
389	L	60.7	Low	60.8	Low	20 Å²	20	54.6 Å²	54.6	11%	0.105	29%	0.291	C	S	.	.	H	α-helix	trans	-61.2	-47.3	175.5	-179.9	68.3	0	0	0	112.1	I292 W296 L309 R385 I386 R391 E392 L393	I292-L389 HydrophobicContact CD1-CD2 3.77Å; W296-L389 HydrophobicContact CH2-CD1 4.4Å; L309-L389 HydrophobicContact CD1-CD1 3.17Å; R385-L389 WeakPolarHBondContact O-CB 3.47Å; R385-L389 PolarHBondContact O-N 2.89Å; I386-L389 PolarHBondContact O-N 3.44Å; L389-R391 VanDerWaalsContact C-N 3.33Å; L389-R391 PolarHBondContact O-N 2.8Å; L389-E392 PolarHBondContact O-N 3.42Å; L389-L393 HydrophobicContact CD1-CD1 4.38Å; L389-L393 HydrophobicContact CG-CD1 4.09Å; L389-L393 VanDerWaalsContact O-CG 3.3Å; L389-L393 WeakPolarHBondContact O-CG 3.44Å; L389-L393 PolarHBondContact O-N 2.86Å
390	V	62	Low	59.8	Low	7 Å²	7	57.9 Å²	57.9	4%	0.042	31%	0.309	C	S	.	.	H	α-helix	trans	-61.1	-43.7	177.9	172.3	0	0	0	0	110.5	F335 Y339 I386 E392 L393 E394	F335-V390 HydrophobicContact CD1-CG1 4.45Å; Y339-V390 HydrophobicContact CD2-CG1 4.03Å; I386-V390 HydrophobicContact CG2-CG2 4.48Å; I386-V390 VanDerWaalsContact O-CG2 3.31Å; I386-V390 WeakPolarHBondContact O-CG2 3.26Å; I386-V390 PolarHBondContact O-N 2.93Å; V390-E392 PolarHBondContact O-N 2.95Å; V390-L393 PolarHBondContact O-N 3.3Å; V390-E394 WeakPolarHBondContact O-CG 3.37Å; V390-E394 PolarHBondContact O-N 3.39Å
391	R	62.7	Low	58.5	Low	124 Å²	124	57.3 Å²	57.3	47%	0.468	31%	0.306	S	S	.	.	H	α-helix	trans	-63.2	-40	174.6	-80.7	-166.2	178.3	-177.2	2.8	113.3	H387 S388 L389 L393 E394 V395	H387-R391 PolarHBondContact O-N 3.28Å; H387-R391 VanDerWaalsContact O-N 3.11Å; S388-R391 PolarHBondContact O-N 3.43Å; L389-R391 VanDerWaalsContact C-N 3.33Å; L389-R391 PolarHBondContact O-N 2.8Å; R391-L393 VanDerWaalsContact C-N 3.28Å; R391-L393 PolarHBondContact O-N 3.2Å; R391-E394 WeakPolarHBondContact O-CB 3.37Å; R391-E394 PolarHBondContact O-N 3.03Å; R391-V395 WeakPolarHBondContact O-CG2 3.29Å; R391-V395 PolarHBondContact O-N 2.93Å; R391-V395 VanDerWaalsContact O-N 3.08Å
392	E	61.5	Low	57.3	Low	42 Å²	42	60.6 Å²	60.6	20%	0.196	32%	0.324	C	S	.	.	H	α-helix	trans	-66.9	-33.7	178.4	-170.9	171.1	-168	0	0	111.7	I315 S388 L389 V390 R396	I315-E392 HydrophobicContact CD1-CG 4.43Å; I315-E392 WeakPolarHBondContact CD1-OE1 2.88Å; S388-E392 WeakPolarHBondContact O-CB 3.42Å; S388-E392 PolarHBondContact O-N 2.94Å; L389-E392 PolarHBondContact O-N 3.42Å; V390-E392 PolarHBondContact O-N 2.95Å; E392-R396 WeakPolarHBondContact O-CG 3.43Å; E392-R396 PolarHBondContact O-N 3.11Å; E392-R396 IonicContact OE1-CZ 2.67Å; E392-R396 IonicContact OE1-NE 2.69Å; E392-R396 IonicContact OE1-NH2 3.39Å; E392-R396 PolarHBondContact OE1-NH2 2.93Å
393	L	58.5	Low	56.1	Low	10 Å²	10	59.8 Å²	59.8	5%	0.052	32%	0.318	C	S	.	.	H	α-helix	trans	-69.9	-39.9	172.3	-68.9	166.9	0	0	0	111.9	L318 L322 F335 L389 V390 R391 V395 R396 L397	L318-L393 HydrophobicContact CB-CD2 4.45Å; L318-L393 HydrophobicContact CD2-CD1 3.92Å; L318-L393 HydrophobicContact CD2-CD2 3.9Å; L322-L393 HydrophobicContact CD1-CD2 4.27Å; F335-L393 HydrophobicContact CE1-CB 4.21Å; F335-L393 HydrophobicContact CE1-CD1 3.69Å; F335-L393 HydrophobicContact CZ-CB 4.39Å; F335-L393 HydrophobicContact CZ-CD1 3.97Å; L389-L393 HydrophobicContact CD1-CD1 4.38Å; L389-L393 HydrophobicContact CG-CD1 4.09Å; L389-L393 VanDerWaalsContact O-CG 3.3Å; L389-L393 WeakPolarHBondContact O-CG 3.44Å; L389-L393 PolarHBondContact O-N 2.86Å; V390-L393 PolarHBondContact O-N 3.3Å; R391-L393 VanDerWaalsContact C-N 3.28Å; R391-L393 PolarHBondContact O-N 3.2Å; L393-V395 VanDerWaalsContact C-N 3.3Å; L393-V395 PolarHBondContact O-N 3.48Å; L393-R396 PolarHBondContact O-N 3.3Å; L393-L397 VanDerWaalsContact O-CD1 3.29Å; L393-L397 WeakPolarHBondContact O-CD1 3.32Å; L393-L397 VanDerWaalsContact O-CG 3.27Å; L393-L397 WeakPolarHBondContact O-CG 3.49Å; L393-L397 PolarHBondContact O-N 3.03Å; L393-L397 VanDerWaalsContact O-N 3.15Å
394	E	60.3	Low	55	Low	52 Å²	52	63.8 Å²	63.8	24%	0.243	35%	0.351	C	S	.	.	H	α-helix	trans	-58	-40.6	173.4	-73.6	171	172	0	0	112.2	V390 R391 F403	V390-E394 WeakPolarHBondContact O-CG 3.37Å; V390-E394 PolarHBondContact O-N 3.39Å; R391-E394 WeakPolarHBondContact O-CB 3.37Å; R391-E394 PolarHBondContact O-N 3.03Å; E394-F403 HydrophobicContact CB-CD2 4.18Å; E394-F403 HydrophobicContact CB-CE2 4.11Å; E394-F403 HydrophobicContact CG-CD2 3.8Å; E394-F403 HydrophobicContact CG-CE2 3.72Å; E394-F403 HydrophobicContact CG-CG 4.28Å; E394-F403 HydrophobicContact CG-CZ 4.13Å
395	V	58.8	Low	53.7	Low	124 Å²	124	65.2 Å²	65.2	75%	0.752	36%	0.361	S	S	*	.	H	α-helix	trans	-74	-26.7	-179.8	173.8	0	0	0	0	113	R391 L393	R391-V395 WeakPolarHBondContact O-CG2 3.29Å; R391-V395 PolarHBondContact O-N 2.93Å; R391-V395 VanDerWaalsContact O-N 3.08Å; L393-V395 VanDerWaalsContact C-N 3.3Å; L393-V395 PolarHBondContact O-N 3.48Å
396	R	52.7	Low	52.5	Low	102 Å²	102	67.6 Å²	67.6	39%	0.385	38%	0.38	S	S	.	.	H	α-helix	trans	-97.8	-2.6	-176.7	-68.3	-173.7	-172.6	-161.6	12.4	114.2	I315 L319 E392 L393	I315-R396 VanDerWaalsContact CD1-NH2 3.35Å; L319-R396 HydrophobicContact CD1-CB 4.37Å; L319-R396 HydrophobicContact CD2-CB 4.3Å; E392-R396 WeakPolarHBondContact O-CG 3.43Å; E392-R396 PolarHBondContact O-N 3.11Å; E392-R396 IonicContact OE1-CZ 2.67Å; E392-R396 IonicContact OE1-NE 2.69Å; E392-R396 IonicContact OE1-NH2 3.39Å; E392-R396 PolarHBondContact OE1-NH2 2.93Å; L393-R396 PolarHBondContact O-N 3.3Å
397	L	55.5	Low	51.5	Low	21 Å²	21	73.6 Å²	73.6	11%	0.11	41%	0.407	C	S	.	.	S	Bend	trans	-75.3	146.4	171.2	-80.7	156.7	0	0	0	110.1	M331 L393 I401 F403	M331-L397 HydrophobicContact SD-CD2 4.02Å; L393-L397 VanDerWaalsContact O-CD1 3.29Å; L393-L397 WeakPolarHBondContact O-CD1 3.32Å; L393-L397 VanDerWaalsContact O-CG 3.27Å; L393-L397 WeakPolarHBondContact O-CG 3.49Å; L393-L397 PolarHBondContact O-N 3.03Å; L393-L397 VanDerWaalsContact O-N 3.15Å; L397-I401 HydrophobicContact CB-CB 4.43Å; L397-I401 HydrophobicContact CB-CD1 4.19Å; L397-I401 HydrophobicContact CD2-CD1 3.76Å; L397-I401 HydrophobicContact CG-CD1 4.47Å; L397-F403 HydrophobicContact CD1-CE2 3.6Å; L397-F403 HydrophobicContact CD1-CZ 3.58Å
398	P	48.2	Very low	50.2	Low	82 Å²	82	78.7 Å²	78.7	53%	0.532	43%	0.429	S	S	.	.			trans	-54.3	141.8	178.6	-22.4	31.3	0	0	0	111.5	D400 I401	P398-D400 PolarHBondContact O-N 2.91Å; P398-I401 PolarHBondContact O-N 2.9Å
399	S	45	Very low	48.7	Very low	111 Å²	111	84.5 Å²	84.5	78%	0.776	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-9.8	-175.6	36.7	0	0	0	0	116.3	I401	S399-I401 VanDerWaalsContact C-N 3.25Å; S399-I401 PolarHBondContact O-N 3.16Å
400	D	44.8	Very low	47.4	Very low	120 Å²	120	92.5 Å²	92.5	64%	0.642	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-3.1	174.1	-54	-24.2	0	0	0	112.9	R332 P398	R332-D400 PolarHBondContact NH2-O 3.12Å; P398-D400 PolarHBondContact O-N 2.91Å
401	I	42.2	Very low	46	Very low	20 Å²	20	101.4 Å²	101.4	10%	0.103	52%	0.519	C	S	.	.			trans	-104.4	69.9	178.5	-53.3	179.7	0	0	0	108.7	R332 L397 P398 S399 F403	R332-I401 HydrophobicContact CG-CG2 4.05Å; L397-I401 HydrophobicContact CB-CB 4.43Å; L397-I401 HydrophobicContact CB-CD1 4.19Å; L397-I401 HydrophobicContact CD2-CD1 3.76Å; L397-I401 HydrophobicContact CG-CD1 4.47Å; P398-I401 PolarHBondContact O-N 2.9Å; S399-I401 VanDerWaalsContact C-N 3.25Å; S399-I401 PolarHBondContact O-N 3.16Å; I401-F403 HydrophobicContact CG2-CD2 4.07Å; I401-F403 HydrophobicContact CG2-CE1 4.48Å; I401-F403 HydrophobicContact CG2-CE2 3.58Å; I401-F403 HydrophobicContact CG2-CZ 3.82Å; I401-F403 PolarHBondContact O-N 3.01Å
402	N	42.2	Very low	44.4	Very low	144 Å²	144	102.8 Å²	102.8	77%	0.77	53%	0.531	S	S	*	.			trans	-67.8	98.3	163.2	-91.8	-18.8	0	0	0	108.5	A404	N402-A404 PolarHBondContact O-N 3.05Å
403	F	41.4	Very low	42.9	Very low	45 Å²	45	108.3 Å²	108.3	20%	0.197	56%	0.561	C	S	.	*			trans	-60.1	126.2	158.5	-67	-85.9	0	0	0	106.5	R332 F335 E394 L397 I401 A405	R332-F403 HydrophobicContact CG-CE1 4.43Å; F335-F403 HydrophobicContact CB-CE1 3.97Å; F335-F403 HydrophobicContact CB-CZ 4.45Å; E394-F403 HydrophobicContact CB-CD2 4.18Å; E394-F403 HydrophobicContact CB-CE2 4.11Å; E394-F403 HydrophobicContact CG-CD2 3.8Å; E394-F403 HydrophobicContact CG-CE2 3.72Å; E394-F403 HydrophobicContact CG-CG 4.28Å; E394-F403 HydrophobicContact CG-CZ 4.13Å; L397-F403 HydrophobicContact CD1-CE2 3.6Å; L397-F403 HydrophobicContact CD1-CZ 3.58Å; I401-F403 HydrophobicContact CG2-CD2 4.07Å; I401-F403 HydrophobicContact CG2-CE1 4.48Å; I401-F403 HydrophobicContact CG2-CE2 3.58Å; I401-F403 HydrophobicContact CG2-CZ 3.82Å; I401-F403 PolarHBondContact O-N 3.01Å; F403-A405 PolarHBondContact O-N 2.87Å
404	A	41	Very low	41.5	Very low	89 Å²	89	113.9 Å²	113.9	74%	0.736	60%	0.595	S	S	*	*			trans	-65.1	71.5	168	0	0	0	0	0	108.9	N402 D406	N402-A404 PolarHBondContact O-N 3.05Å; A404-D406 VanDerWaalsContact C-N 3.25Å
405	A	39.2	Very low	40	Very low	49 Å²	49	118.6 Å²	118.6	41%	0.405	63%	0.628	S	S	.	*			trans	-83	-8.1	176.4	0	0	0	0	0	111	F403 E407 F408 R409	F403-A405 PolarHBondContact O-N 2.87Å; A405-E407 PolarHBondContact O-N 3.29Å; A405-F408 PolarHBondContact O-N 3.34Å; A405-R409 PolarHBondContact O-N 3.04Å
406	D	36.4	Very low	38.5	Very low	128 Å²	128	116.6 Å²	116.6	68%	0.684	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	-17.1	-179.5	-81.5	-19.4	0	0	0	114.2	A404 F408	A404-D406 VanDerWaalsContact C-N 3.25Å; D406-F408 VanDerWaalsContact C-N 3.33Å
407	E	39.8	Very low	37.2	Very low	170 Å²	170	117 Å²	117	79%	0.794	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	-5.4	170.9	-79.4	-170.1	160.9	0	0	113.7	A405	A405-E407 PolarHBondContact O-N 3.29Å
408	F	36.7	Very low	35.9	Very low	126 Å²	126	125.6 Å²	125.6	55%	0.553	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.3	1.9	178.4	-74.5	-80.5	0	0	0	113.9	A405 D406	A405-F408 PolarHBondContact O-N 3.34Å; D406-F408 VanDerWaalsContact C-N 3.33Å
409	R	34	Very low	35	Very low	189 Å²	189	130.8 Å²	130.8	71%	0.713	70%	0.704	S	S	*	*			trans	-74.3	139.3	158.9	-85.4	-177.9	170.1	-161.8	-1.5	108	A405	A405-R409 PolarHBondContact O-N 3.04Å
410	E	32.1	Very low	34.3	Very low	187 Å²	187	130.7 Å²	130.7	87%	0.874	70%	0.701	S	S	*	*	S	Bend	trans	85.8	70.4	179	-50.7	-169.5	167.7	0	0	117.1
411	Q	32.9	Very low	33.5	Very low	194 Å²	194	129.9 Å²	129.9	91%	0.907	71%	0.705	S	S	*	*				-175.3	57.9	126.8	-99.5	173.6	15.4	0	0	107.3
412	E	29.8	Very low	32.8	Very low	154 Å²	154	136.2 Å²	136.2	72%	0.72	74%	0.739	S	S	*	*			trans	-63.7	138.2	162.7	-87.5	179.5	157.9	0	0	108.5	T414	E412-T414 PolarHBondContact O-N 3.49Å
413	L	30.3	Very low	32.2	Very low	158 Å²	158	137 Å²	137	83%	0.827	74%	0.744	S	S	*	*	S	Bend	trans	-58.2	92.1	178.1	-69.1	97.9	0	0	0	110.6
414	T	28.5	Very low	31.6	Very low	126 Å²	126	137.7 Å²	137.7	77%	0.773	76%	0.763	S	S	*	*			trans	-129.4	59.7	164.3	53.6	0	0	0	0	110.1	E412	E412-T414 PolarHBondContact O-N 3.49Å
415	T	28.1	Very low	31.1	Very low	151 Å²	151	138.8 Å²	138.8	93%	0.926	77%	0.765	S	S	*	*			trans	-153.7	76.4	164.8	18.4	0	0	0	0	108.7
416	G	27.4	Very low	30.7	Very low	82 Å²	82	145.8 Å²	145.8	85%	0.845	79%	0.787	S	S	*	*	S	Bend	trans	-171	34.4	179	0	0	0	0	0	112.7
417	S	26.5	Very low	30.3	Very low	112 Å²	112	145.2 Å²	145.2	78%	0.783	79%	0.793	S	S	*	*			trans	-161.3	81.2	174.9	163	0	0	0	0	107.4
418	K	28.1	Very low	29.9	Very low	200 Å²	200	143.2 Å²	143.2	87%	0.87	79%	0.794	S	S	*	*			trans	-173	99.8	155.8	-104.2	167.4	-173.3	-174.4	0	107.3
419	E	29.2	Very low	29.3	Very low	191 Å²	191	142.9 Å²	142.9	89%	0.893	81%	0.808	S	S	*	*			trans	-50.9	140.2	154.6	-70.5	174.9	150.1	0	0	108.7
420	P	28.8	Very low	29	Very low	110 Å²	110	138.7 Å²	138.7	71%	0.714	81%	0.807	S	S	*	*				-138.8	124.7	117	28	-10.4	0	0	0	112.6
421	S	28.8	Very low	28.6	Very low	103 Å²	103	141.8 Å²	141.8	72%	0.72	81%	0.813	S	S	*	*			trans	30.1	123.7	135.3	58.7	0	0	0	0	120.4
422	D	28.4	Very low	28.2	Very low	153 Å²	153	135 Å²	135	82%	0.818	79%	0.794	S	S	*	*			trans	25.8	117.6	135.4	-75.3	-26.2	0	0	0	117.9
423	D	28.5	Very low	27.9	Very low	161 Å²	161	133.3 Å²	133.3	86%	0.861	80%	0.8	S	S	*	*				-179.6	151.7	84.6	-127.3	-27.5	0	0	0	111.3
424	G	28.3	Very low	27.7	Very low	59 Å²	59	130.9 Å²	130.9	61%	0.608	80%	0.796	S	S	*	*			trans	88.1	75.7	145.8	0	0	0	0	0	120.2
425	S	30.6	Very low	27.6	Very low	111 Å²	111	131.7 Å²	131.7	78%	0.776	80%	0.801	S	S	*	*				80.3	132	125.4	78.6	0	0	0	0	122
426	K	31.1	Very low	27.5	Very low	197 Å²	197	128.2 Å²	128.2	86%	0.857	80%	0.795	S	S	*	*			trans	95.1	91.1	156.5	-62.7	-177.3	-178.7	174.9	0	118.9
427	S	28.2	Very low	27.5	Very low	116 Å²	116	129.4 Å²	129.4	81%	0.811	80%	0.797	S	S	*	*			trans	-25.8	164	152.4	46.4	0	0	0	0	119.9
428	P	31	Very low	27.6	Very low	127 Å²	127	129.1 Å²	129.1	83%	0.825	80%	0.795	S	S	*	*			trans	-106.9	151.6	-132.8	39.3	-33.9	0	0	0	114.4
429	S	25.3	Very low	27.7	Very low	120 Å²	120	123.1 Å²	123.1	84%	0.839	78%	0.783	S	S	*	*			trans	-158.1	154.8	160.3	81.4	0	0	0	0	111.8
430	S	26.7	Very low	27.9	Very low	101 Å²	101	117.4 Å²	117.4	71%	0.706	77%	0.768	S	S	*	*			trans	90.6	89.6	160.3	-160.2	0	0	0	0	118.2
431	Y	23.4	Very low	28.1	Very low	251 Å²	251	118.1 Å²	118.1	98%	0.984	77%	0.766	S	S	*	*			trans	-62.2	114.8	137.9	-102.4	-103	0	0	0	108.1
432	G	24.5	Very low	28.4	Very low	51 Å²	51	115.7 Å²	115.7	53%	0.526	75%	0.753	S	S	.	*			trans	163.8	104.9	173.3	0	0	0	0	0	115.2
433	S	24	Very low	28.9	Very low	119 Å²	119	115.2 Å²	115.2	83%	0.832	75%	0.745	S	S	*	*			trans	75.4	113.8	138.4	-49.5	0	0	0	0	120.3
434	S	26	Very low	29.2	Very low	107 Å²	107	114.5 Å²	114.5	75%	0.748	73%	0.734	S	S	*	*				169	104.6	118.4	49	0	0	0	0	108.8
435	T	26.3	Very low	29.4	Very low	144 Å²	144	116.9 Å²	116.9	88%	0.883	73%	0.733	S	S	*	*				58.9	104.9	92.7	57	0	0	0	0	114.4
436	G	25.9	Very low	29.7	Very low	77 Å²	77	119.3 Å²	119.3	79%	0.794	73%	0.729	S	S	*	*			trans	174.9	121.3	162.3	0	0	0	0	0	111.2
437	A	27.1	Very low	29.9	Very low	108 Å²	108	114.7 Å²	114.7	89%	0.893	71%	0.711	S	S	*	*	S	Bend	trans	80.6	61.3	172	0	0	0	0	0	118.6
438	S	30.1	Very low	30.2	Very low	105 Å²	105	113.7 Å²	113.7	73%	0.734	70%	0.7	S	S	*	*			trans	-131.4	14.7	158.5	-174	0	0	0	0	114.1
439	A	30.4	Very low	30.4	Very low	75 Å²	75	112.5 Å²	112.5	62%	0.62	69%	0.686	S	S	*	*	S	Bend	trans	-91.8	-37.4	178.9	0	0	0	0	0	113.3	N441 E443	A439-N441 PolarHBondContact O-N 2.91Å; A439-E443 PolarHBondContact O-N 3.17Å
440	A	32.9	Very low	30.6	Very low	71 Å²	71	108.4 Å²	108.4	59%	0.587	66%	0.662	S	S	*	*	H	α-helix	trans	-74.8	-23.5	-173.6	0	0	0	0	0	114.9	K444	A440-K444 WeakPolarHBondContact O-CB 3.42Å; A440-K444 PolarHBondContact O-N 3.34Å
441	N	32.7	Very low	30.9	Very low	124 Å²	124	110.6 Å²	110.6	66%	0.663	66%	0.659	S	S	*	*	H	α-helix	trans	-92.3	-18.5	-179.7	-73.5	-16.4	0	0	0	113.3	A439 L445	A439-N441 PolarHBondContact O-N 2.91Å; N441-L445 WeakPolarHBondContact O-CB 3.5Å; N441-L445 PolarHBondContact O-N 2.91Å
442	A	35.1	Very low	31.2	Very low	53 Å²	53	103.2 Å²	103.2	44%	0.438	64%	0.644	S	S	.	*	H	α-helix	trans	-83.8	-31.5	173.1	0	0	0	0	0	111.9	K446	A442-K446 VanDerWaalsContact O-CB 3.32Å; A442-K446 WeakPolarHBondContact O-CB 3.37Å; A442-K446 WeakPolarHBondContact O-CG 3.25Å; A442-K446 PolarHBondContact O-N 2.95Å
443	E	38.3	Very low	31.4	Very low	143 Å²	143	109.2 Å²	109.2	67%	0.668	66%	0.656	S	S	*	*	H	α-helix	trans	-73.2	-41.7	168.8	-87.3	-173.4	156.7	0	0	112.2	A439 L445 K446 E447	A439-E443 PolarHBondContact O-N 3.17Å; E443-L445 VanDerWaalsContact C-N 3.31Å; E443-L445 PolarHBondContact O-N 2.76Å; E443-K446 CarbonylContact O-C 3.52Å; E443-K446 PolarHBondContact O-N 3.41Å; E443-K446 VanDerWaalsContact O-N 3.15Å; E443-E447 WeakPolarHBondContact O-CB 3.49Å; E443-E447 PolarHBondContact O-N 3.34Å
444	K	36.1	Very low	31.6	Very low	145 Å²	145	111.4 Å²	111.4	63%	0.63	65%	0.653	S	S	*	*	H	α-helix	trans	-63.9	-31.1	172.6	-98.9	178.8	173.6	177.9	0	113.7	A440 T448	A440-K444 WeakPolarHBondContact O-CB 3.42Å; A440-K444 PolarHBondContact O-N 3.34Å; K444-T448 WeakPolarHBondContact O-CB 3.15Å; K444-T448 PolarHBondContact O-N 2.92Å; K444-T448 PolarHBondContact O-OG1 3.19Å
445	L	31.1	Very low	31.8	Very low	109 Å²	109	113.1 Å²	113.1	57%	0.571	66%	0.659	S	S	*	*	H	α-helix	trans	-75.4	-36.3	171.1	-124.7	88.7	0	0	0	112.2	N441 E443 E447 T448 I449	N441-L445 WeakPolarHBondContact O-CB 3.5Å; N441-L445 PolarHBondContact O-N 2.91Å; E443-L445 VanDerWaalsContact C-N 3.31Å; E443-L445 PolarHBondContact O-N 2.76Å; L445-E447 VanDerWaalsContact C-N 3.31Å; L445-T448 WeakPolarHBondContact CA-OG1 3.39Å; L445-T448 PolarHBondContact O-OG1 2.96Å; L445-I449 HydrophobicContact CD2-CD1 4.02Å; L445-I449 HydrophobicContact CG-CD1 4.21Å; L445-I449 WeakPolarHBondContact O-CB 3.43Å; L445-I449 WeakPolarHBondContact O-CD1 3.35Å; L445-I449 WeakPolarHBondContact O-CG1 3.48Å; L445-I449 PolarHBondContact O-N 3.29Å
446	K	37.7	Very low	32	Very low	162 Å²	162	117.8 Å²	117.8	70%	0.704	66%	0.661	S	S	*	*	H	α-helix	trans	-69.7	-27.5	172.4	-83.5	-179.9	174.3	-178.7	0	112.7	A442 E443 G450	A442-K446 VanDerWaalsContact O-CB 3.32Å; A442-K446 WeakPolarHBondContact O-CB 3.37Å; A442-K446 WeakPolarHBondContact O-CG 3.25Å; A442-K446 PolarHBondContact O-N 2.95Å; E443-K446 CarbonylContact O-C 3.52Å; E443-K446 PolarHBondContact O-N 3.41Å; E443-K446 VanDerWaalsContact O-N 3.15Å; K446-G450 VanDerWaalsContact O-CA 3.28Å; K446-G450 WeakPolarHBondContact O-CA 3.42Å; K446-G450 PolarHBondContact O-N 3.31Å
447	E	35.9	Very low	32	Very low	100 Å²	100	119.3 Å²	119.3	47%	0.467	66%	0.659	S	S	.	*	H	α-helix	trans	-83.3	-31.8	177.4	-155.1	-177.5	178.2	0	0	111.6	E443 L445 K451	E443-E447 WeakPolarHBondContact O-CB 3.49Å; E443-E447 PolarHBondContact O-N 3.34Å; L445-E447 VanDerWaalsContact C-N 3.31Å; E447-K451 HydrophobicContact CG-CD 4.18Å; E447-K451 VanDerWaalsContact O-CB 3.27Å; E447-K451 WeakPolarHBondContact O-CB 3.42Å; E447-K451 VanDerWaalsContact O-CG 3.23Å; E447-K451 WeakPolarHBondContact O-CG 3.36Å; E447-K451 PolarHBondContact O-N 2.93Å; E447-K451 WeakPolarHBondContact OE1-CE 3.39Å; E447-K451 IonicContact OE1-NZ 2.76Å; E447-K451 PolarHBondContact OE1-NZ 3.5Å
448	T	33.9	Very low	31.9	Very low	96 Å²	96	121 Å²	121	59%	0.589	65%	0.653	S	S	*	*	H	α-helix	trans	-79.5	-27.3	170.5	39.9	0	0	0	0	113.5	K444 L445	K444-T448 WeakPolarHBondContact O-CB 3.15Å; K444-T448 PolarHBondContact O-N 2.92Å; K444-T448 PolarHBondContact O-OG1 3.19Å; L445-T448 WeakPolarHBondContact CA-OG1 3.39Å; L445-T448 PolarHBondContact O-OG1 2.96Å
449	I	34.4	Very low	31.6	Very low	102 Å²	102	120.6 Å²	120.6	52%	0.523	65%	0.65	S	S	.	*	H	α-helix	trans	-85.1	-18.6	170.4	-62.7	166.9	0	0	0	111.3	L445 S452	L445-I449 HydrophobicContact CD2-CD1 4.02Å; L445-I449 HydrophobicContact CG-CD1 4.21Å; L445-I449 WeakPolarHBondContact O-CB 3.43Å; L445-I449 WeakPolarHBondContact O-CD1 3.35Å; L445-I449 WeakPolarHBondContact O-CG1 3.48Å; L445-I449 PolarHBondContact O-N 3.29Å; I449-S452 PolarHBondContact O-OG 3.39Å
450	G	29.9	Very low	31.5	Very low	34 Å²	34	124.7 Å²	124.7	35%	0.351	66%	0.66	S	S	.	*	H	α-helix	trans	-87.4	-31.8	176.1	0	0	0	0	0	114.3	K446 S452 K453	K446-G450 VanDerWaalsContact O-CA 3.28Å; K446-G450 WeakPolarHBondContact O-CA 3.42Å; K446-G450 PolarHBondContact O-N 3.31Å; G450-S452 VanDerWaalsContact C-N 3.34Å; G450-S452 PolarHBondContact O-N 2.86Å; G450-K453 PolarHBondContact O-N 2.88Å
451	K	32.9	Very low	31.2	Very low	146 Å²	146	125.2 Å²	125.2	64%	0.635	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	-0.9	178.9	-73.1	175.1	-178.8	170	0	115	E447	E447-K451 HydrophobicContact CG-CD 4.18Å; E447-K451 VanDerWaalsContact O-CB 3.27Å; E447-K451 WeakPolarHBondContact O-CB 3.42Å; E447-K451 VanDerWaalsContact O-CG 3.23Å; E447-K451 WeakPolarHBondContact O-CG 3.36Å; E447-K451 PolarHBondContact O-N 2.93Å; E447-K451 WeakPolarHBondContact OE1-CE 3.39Å; E447-K451 IonicContact OE1-NZ 2.76Å; E447-K451 PolarHBondContact OE1-NZ 3.5Å
452	S	30.1	Very low	31	Very low	96 Å²	96	127.2 Å²	127.2	67%	0.671	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	7.8	167.9	50.9	0	0	0	0	113.2	I449 G450	I449-S452 PolarHBondContact O-OG 3.39Å; G450-S452 VanDerWaalsContact C-N 3.34Å; G450-S452 PolarHBondContact O-N 2.86Å
453	K	29.5	Very low	30.6	Very low	177 Å²	177	134.3 Å²	134.3	77%	0.77	69%	0.691	S	S	*	*	S	Bend	trans	-107	7.3	-178.2	-87.1	-176.5	172.4	-177.7	0	115.5	G450	G450-K453 PolarHBondContact O-N 2.88Å
454	E	28.3	Very low	30	Very low	166 Å²	166	132.6 Å²	132.6	78%	0.776	69%	0.693	S	S	*	*	S	Bend	trans	-128.1	62.7	-176.3	-73.5	-177.6	158.6	0	0	112.5
455	T	29.9	Very low	29.7	Very low	142 Å²	142	137.7 Å²	137.7	87%	0.871	71%	0.708	S	S	*	*	S	Bend	trans	-167.3	120	145	-3	0	0	0	0	109.6
456	R	30.1	Very low	29.6	Very low	243 Å²	243	140.5 Å²	140.5	92%	0.917	72%	0.718	S	S	*	*			trans	82.5	59.7	-175.5	-63	-174.9	171.8	179.6	-2	116.7	N458	R456-N458 PolarHBondContact O-N 3.27Å
457	S	25	Very low	29.1	Very low	108 Å²	108	140.4 Å²	140.4	76%	0.755	73%	0.725	S	S	*	*			trans	-40.3	119.3	130.4	21	0	0	0	0	111.8
458	N	25.2	Very low	28.7	Very low	145 Å²	145	141.9 Å²	141.9	78%	0.775	75%	0.745	S	S	*	*				178.3	115.4	122.3	-83.6	-12.2	0	0	0	110.5	R456	R456-N458 PolarHBondContact O-N 3.27Å
459	S	24.6	Very low	28.6	Very low	95 Å²	95	141.2 Å²	141.2	66%	0.664	75%	0.749	S	S	*	*			trans	44.8	96.2	151	63.5	0	0	0	0	118.6
460	L	27.5	Very low	28.4	Very low	161 Å²	161	141.9 Å²	141.9	84%	0.843	76%	0.758	S	S	*	*			trans	-118.2	37.8	165.5	-141.7	89.4	0	0	0	112.2
461	A	28	Very low	28.4	Very low	83 Å²	83	149.4 Å²	149.4	69%	0.686	78%	0.784	S	S	*	*	S	Bend	trans	-126	109.5	159.9	0	0	0	0	0	103.5
462	D	27.5	Very low	28.7	Very low	166 Å²	166	144.6 Å²	144.6	89%	0.888	77%	0.767	S	S	*	*	S	Bend	trans	100.5	56.5	-167	-64.9	-20.4	0	0	0	116.4
463	R	26.4	Very low	28.9	Very low	201 Å²	201	144 Å²	144	76%	0.758	77%	0.768	S	S	*	*			trans	-133	126.8	158	-95.8	-173.4	177.6	-173.6	-1.4	112.4	R465	R463-R465 PolarHBondContact O-N 2.87Å
464	P	25.9	Very low	29.4	Very low	108 Å²	108	143.6 Å²	143.6	70%	0.701	77%	0.774	S	S	*	*			trans	-72.2	121.2	177.9	30.6	-31	0	0	0	109.5	E466	P464-E466 VanDerWaalsContact C-N 3.3Å; P464-E466 PolarHBondContact O-N 3.39Å
465	R	29.6	Very low	30.1	Very low	252 Å²	252	138.3 Å²	138.3	95%	0.951	75%	0.751	S	S	*	*	S	Bend	trans	25.6	47.5	131.8	-136	-178.9	-166.4	-163.7	1.8	119.6	R463	R463-R465 PolarHBondContact O-N 2.87Å
466	E	29.4	Very low	31	Very low	168 Å²	168	138 Å²	138	79%	0.785	74%	0.739	S	S	*	*			trans	-146.1	97.4	169.4	-71.1	-177.5	166.8	0	0	108.1	P464	P464-E466 VanDerWaalsContact C-N 3.3Å; P464-E466 PolarHBondContact O-N 3.39Å
467	D	27.2	Very low	31.7	Very low	160 Å²	160	127.1 Å²	127.1	86%	0.856	70%	0.7	S	S	*	*			trans	-177.4	67.5	162	-91.3	-24.9	0	0	0	110
468	C	27.3	Very low	32.7	Very low	130 Å²	130	124 Å²	124	88%	0.878	68%	0.678	S	S	*	*			trans	-149.8	23.2	154.5	-95.9	0	0	0	0	110.4	T470	C468-T470 PolarHBondContact O-N 2.92Å
469	A	31.4	Very low	34	Very low	82 Å²	82	121.1 Å²	121.1	68%	0.678	66%	0.663	S	S	*	*			trans	-81.6	97.4	164.1	0	0	0	0	0	106.4	Q471	A469-Q471 PolarHBondContact O-N 3.47Å
470	T	31.4	Very low	35	Very low	116 Å²	116	117 Å²	117	71%	0.712	63%	0.634	S	S	*	*			trans	-41.6	130.7	155.9	8.8	0	0	0	0	108.1	C468 T472	C468-T470 PolarHBondContact O-N 2.92Å; T470-T472 VanDerWaalsContact C-N 3.35Å; T470-T472 WeakPolarHBondContact O-CG2 3.41Å; T470-T472 PolarHBondContact O-N 3.39Å; T470-T472 PolarHBondContact O-OG1 3.02Å
471	Q	29.1	Very low	35.9	Very low	192 Å²	192	109.3 Å²	109.3	90%	0.897	59%	0.594	S	S	*	*			trans	-42.7	98	171.6	-72.8	167.3	-12.3	0	0	109.6	A469	A469-Q471 PolarHBondContact O-N 3.47Å
472	T	39.4	Very low	37	Very low	46 Å²	46	107.9 Å²	107.9	28%	0.282	58%	0.576	S	S	.	*			trans	-110.5	11.7	-178.1	26.8	0	0	0	0	110.5	T470 N474 I475	T470-T472 VanDerWaalsContact C-N 3.35Å; T470-T472 WeakPolarHBondContact O-CG2 3.41Å; T470-T472 PolarHBondContact O-N 3.39Å; T470-T472 PolarHBondContact O-OG1 3.02Å; T472-N474 PolarHBondContact O-N 3.12Å; T472-N474 VanDerWaalsContact O-N 3.09Å; T472-I475 HydrophobicContact CG2-CD1 3.8Å
473	A	34.9	Very low	38.1	Very low	83 Å²	83	104.3 Å²	104.3	69%	0.686	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	7.7	-169.4	0	0	0	0	0	114.9
474	N	39.2	Very low	38.9	Very low	168 Å²	168	94.8 Å²	94.8	90%	0.898	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-167.3	44.9	174.8	-96.9	-21.7	0	0	0	112.7	T472	T472-N474 PolarHBondContact O-N 3.12Å; T472-N474 VanDerWaalsContact O-N 3.09Å
475	I	43.1	Very low	40.1	Very low	55 Å²	55	94.7 Å²	94.7	28%	0.282	51%	0.509	S	S	.	.			trans	-90.1	122.2	174.7	-52.2	-177.3	0	0	0	108.7	T472 D479 V480	T472-I475 HydrophobicContact CG2-CD1 3.8Å; I475-D479 HydrophobicContact CG2-CB 3.75Å; I475-V480 HydrophobicContact CB-CG2 4.12Å; I475-V480 HydrophobicContact CG2-CG2 3.58Å
476	H	48	Very low	41.2	Very low	135 Å²	135	91.2 Å²	91.2	63%	0.625	50%	0.495	S	S	*	.			trans	-64.4	140.3	176.6	-167.5	-93.9	0	0	0	110.1	S478 D479 V480	H476-S478 PolarHBondContact ND1-OG 2.86Å; H476-S478 PolarHBondContact O-N 3.35Å; H476-D479 PolarHBondContact O-N 2.92Å; H476-V480 PolarHBondContact O-N 3.44Å
477	C	45	Very low	42.1	Very low	15 Å²	15	85.8 Å²	85.8	10%	0.101	48%	0.479	C	S	.	.	H	α-helix	trans	-52.7	-31.3	-174.9	-71	0	0	0	0	114	V480 G481 L524	C477-V480 PolarHBondContact O-N 3.44Å; C477-G481 PolarHBondContact O-N 3.33Å; C477-L524 HydrophobicContact CB-CD2 4.11Å
478	S	47.2	Very low	43.2	Very low	43 Å²	43	78.7 Å²	78.7	30%	0.301	44%	0.441	S	S	.	.	H	α-helix	trans	-63.2	-40.8	175.7	57.8	0	0	0	0	113.1	H476 V480 G481 V482	H476-S478 PolarHBondContact ND1-OG 2.86Å; H476-S478 PolarHBondContact O-N 3.35Å; S478-V480 VanDerWaalsContact C-N 3.31Å; S478-V480 PolarHBondContact O-N 3.42Å; S478-G481 PolarHBondContact O-N 3.46Å; S478-V482 WeakPolarHBondContact O-CG2 3.44Å; S478-V482 PolarHBondContact O-N 2.97Å; S478-V482 VanDerWaalsContact O-N 3.13Å
479	D	52.1	Low	44.5	Very low	84 Å²	84	75.3 Å²	75.3	45%	0.449	41%	0.414	S	S	.	.	H	α-helix	trans	-72.1	-32.7	-177.2	-62.5	-19	0	0	0	110.9	I475 H476 Q483	I475-D479 HydrophobicContact CG2-CB 3.75Å; H476-D479 PolarHBondContact O-N 2.92Å; D479-Q483 WeakPolarHBondContact O-CB 3.42Å; D479-Q483 VanDerWaalsContact O-CG 3.29Å; D479-Q483 WeakPolarHBondContact O-CG 3.46Å; D479-Q483 PolarHBondContact O-N 3.11Å
480	V	46.1	Very low	45.5	Very low	9 Å²	9	74.5 Å²	74.5	6%	0.055	40%	0.398	C	S	.	.	H	α-helix	trans	-62.7	-44	172.8	-179.2	0	0	0	0	110.4	I475 H476 C477 S478 Q483 C484 L642	I475-V480 HydrophobicContact CB-CG2 4.12Å; I475-V480 HydrophobicContact CG2-CG2 3.58Å; H476-V480 PolarHBondContact O-N 3.44Å; C477-V480 PolarHBondContact O-N 3.44Å; S478-V480 VanDerWaalsContact C-N 3.31Å; S478-V480 PolarHBondContact O-N 3.42Å; V480-Q483 PolarHBondContact O-N 2.92Å; V480-C484 PolarHBondContact O-N 3.26Å; V480-L642 HydrophobicContact CG1-CD1 3.31Å; V480-L642 HydrophobicContact CG1-CD2 3.67Å; V480-L642 HydrophobicContact CG1-CG 3.28Å
481	G	45.7	Very low	46.6	Very low	0 Å²	0	77.7 Å²	77.7	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-61.6	-47.6	176.8	0	0	0	0	0	113.1	C477 S478 Q483 C484 Q485 V521 Q525	C477-G481 PolarHBondContact O-N 3.33Å; S478-G481 PolarHBondContact O-N 3.46Å; G481-Q483 VanDerWaalsContact C-N 3.32Å; G481-Q483 PolarHBondContact O-N 3.4Å; G481-C484 WeakPolarHBondContact O-CB 2.96Å; G481-C484 PolarHBondContact O-N 3.23Å; G481-Q485 PolarHBondContact O-N 2.9Å; G481-V521 WeakPolarHBondContact O-CG1 3.42Å; G481-Q525 VanDerWaalsContact C-NE2 3.31Å
482	V	52.3	Low	47.8	Very low	52 Å²	52	76.1 Å²	76.1	32%	0.315	40%	0.395	S	S	.	.	H	α-helix	trans	-63.9	-37.6	178.4	175.5	0	0	0	0	111.6	S478 Q485 R486	S478-V482 WeakPolarHBondContact O-CG2 3.44Å; S478-V482 PolarHBondContact O-N 2.97Å; S478-V482 VanDerWaalsContact O-N 3.13Å; V482-Q485 PolarHBondContact O-N 3.37Å; V482-R486 HydrophobicContact CG1-CG 4.45Å; V482-R486 WeakPolarHBondContact O-CB 3.47Å; V482-R486 VanDerWaalsContact O-CG 3.31Å; V482-R486 WeakPolarHBondContact O-CG 3.31Å; V482-R486 PolarHBondContact O-N 3.35Å
483	Q	49.2	Very low	48.5	Very low	91 Å²	91	76.3 Å²	76.3	43%	0.425	39%	0.392	S	S	.	.	H	α-helix	trans	-66.8	-39	175.8	-75.4	-177.4	33.1	0	0	112.5	D479 V480 G481 A487	D479-Q483 WeakPolarHBondContact O-CB 3.42Å; D479-Q483 VanDerWaalsContact O-CG 3.29Å; D479-Q483 WeakPolarHBondContact O-CG 3.46Å; D479-Q483 PolarHBondContact O-N 3.11Å; V480-Q483 PolarHBondContact O-N 2.92Å; G481-Q483 VanDerWaalsContact C-N 3.32Å; G481-Q483 PolarHBondContact O-N 3.4Å; Q483-A487 VanDerWaalsContact O-CB 3.32Å; Q483-A487 WeakPolarHBondContact O-CB 3.45Å; Q483-A487 PolarHBondContact O-N 3.49Å; Q483-A487 VanDerWaalsContact O-N 3.07Å
484	C	43.2	Very low	49.4	Very low	2 Å²	2	80.9 Å²	80.9	1%	0.014	39%	0.393	C	S	.	.	H	α-helix	trans	-58.5	-54.8	170.9	-94.7	0	0	0	0	111.7	V480 G481 R486 A487 F488 V521 L642	V480-C484 PolarHBondContact O-N 3.26Å; G481-C484 WeakPolarHBondContact O-CB 2.96Å; G481-C484 PolarHBondContact O-N 3.23Å; C484-R486 PolarHBondContact O-N 2.86Å; C484-A487 PolarHBondContact O-N 3.19Å; C484-F488 HydrophobicContact CB-CD2 4.33Å; C484-F488 WeakPolarHBondContact O-CD2 3.46Å; C484-F488 PolarHBondContact O-N 3.34Å; C484-V521 HydrophobicContact CB-CG2 3.35Å; C484-L642 WeakPolarHBondContact SG-CD1 3.35Å; C484-L642 WeakPolarHBondContact SG-CD2 3.5Å
485	Q	52.1	Low	50.1	Low	105 Å²	105	74.2 Å²	74.2	49%	0.491	36%	0.355	S	S	.	.	H	α-helix	trans	-62.7	-32.6	-175.1	-155.5	172.9	21.9	0	0	112.4	G481 V482	G481-Q485 PolarHBondContact O-N 2.9Å; V482-Q485 PolarHBondContact O-N 3.37Å
486	R	51.8	Low	50.4	Low	179 Å²	179	73.4 Å²	73.4	68%	0.675	35%	0.354	S	S	*	.	H	α-helix	trans	-72.9	-30.9	173.8	-73.7	178.5	179.9	175.9	1.3	113.6	V482 C484	V482-R486 HydrophobicContact CG1-CG 4.45Å; V482-R486 WeakPolarHBondContact O-CB 3.47Å; V482-R486 VanDerWaalsContact O-CG 3.31Å; V482-R486 WeakPolarHBondContact O-CG 3.31Å; V482-R486 PolarHBondContact O-N 3.35Å; C484-R486 PolarHBondContact O-N 2.86Å
487	A	49.2	Very low	50.8	Low	54 Å²	54	75.4 Å²	75.4	45%	0.446	36%	0.361	S	S	.	.	H	α-helix	trans	-84.8	-24.5	-180	0	0	0	0	0	113.1	Q483 C484	Q483-A487 VanDerWaalsContact O-CB 3.32Å; Q483-A487 WeakPolarHBondContact O-CB 3.45Å; Q483-A487 PolarHBondContact O-N 3.49Å; Q483-A487 VanDerWaalsContact O-N 3.07Å; C484-A487 PolarHBondContact O-N 3.19Å
488	F	50.4	Low	50.8	Low	11 Å²	11	78.8 Å²	78.8	5%	0.048	38%	0.383	C	S	.	.			trans	-123.8	96.8	-173.5	-56.9	-72.4	0	0	0	111	C484 F514 Q635 Y638	C484-F488 HydrophobicContact CB-CD2 4.33Å; C484-F488 WeakPolarHBondContact O-CD2 3.46Å; C484-F488 PolarHBondContact O-N 3.34Å; F488-F514 HydrophobicContact CD1-CD1 4.44Å; F488-F514 AromaticContact CD1-CE1 3.87Å; F488-F514 HydrophobicContact CD1-CE1 3.87Å; F488-Q635 HydrophobicContact CD1-CB 4.42Å; F488-Q635 HydrophobicContact CD1-CG 4.07Å; F488-Q635 HydrophobicContact CE1-CB 3.58Å; F488-Q635 HydrophobicContact CE1-CG 3.5Å; F488-Q635 HydrophobicContact CZ-CB 4.44Å; F488-Y638 AromaticContact CE2-CD1 3.46Å; F488-Y638 HydrophobicContact CE2-CD1 3.46Å; F488-Y638 VanDerWaalsContact CE2-CD1 3.46Å; F488-Y638 AromaticContact CE2-CE1 3.84Å; F488-Y638 HydrophobicContact CE2-CE1 3.84Å; F488-Y638 HydrophobicContact CE2-CG 4.5Å; F488-Y638 AromaticContact CZ-CD1 3.52Å; F488-Y638 HydrophobicContact CZ-CD1 3.52Å; F488-Y638 HydrophobicContact CZ-CE1 4.32Å; F488-Y638 HydrophobicContact CZ-CG 4.17Å
489	D	53.8	Low	51	Low	59 Å²	59	77.5 Å²	77.5	32%	0.316	37%	0.372	S	S	.	.			trans	-103.2	99.8	169.6	-172.4	-18.7	0	0	0	108.5	E491 K492 F493	D489-E491 PolarHBondContact O-N 2.87Å; D489-E491 VanDerWaalsContact OD1-CB 3.32Å; D489-E491 WeakPolarHBondContact OD1-CB 3.3Å; D489-E491 PolarHBondContact OD1-N 3.18Å; D489-K492 HydrophobicContact CB-CB 4.11Å; D489-K492 HydrophobicContact CB-CD 4.09Å; D489-K492 HydrophobicContact CB-CG 4.13Å; D489-K492 PolarHBondContact O-N 2.89Å; D489-K492 VanDerWaalsContact O-N 3.1Å; D489-K492 PolarHBondContact OD1-N 3.41Å; D489-K492 VanDerWaalsContact OD2-CD 3.27Å; D489-K492 WeakPolarHBondContact OD2-CD 3.29Å; D489-K492 VanDerWaalsContact OD2-CE 3.27Å; D489-K492 WeakPolarHBondContact OD2-CE 3.28Å; D489-K492 WeakPolarHBondContact OD2-CG 3.09Å; D489-K492 IonicContact OD2-NZ 3.19Å; D489-K492 PolarHBondContact OD2-NZ 2.89Å; D489-F493 PolarHBondContact O-N 3.05Å
490	I	52.1	Low	51.5	Low	66 Å²	66	75.8 Å²	75.8	34%	0.338	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-52.3	-38.6	175.7	-77.6	-178.9	0	0	0	110.5	K492 F493 F514 D518	I490-K492 PolarHBondContact O-N 3.5Å; I490-F493 PolarHBondContact O-N 3.01Å; I490-F493 VanDerWaalsContact O-N 3.09Å; I490-F514 HydrophobicContact CD1-CB 3.45Å; I490-F514 VanDerWaalsContact CD1-CB 3.45Å; I490-F514 HydrophobicContact CD1-CD2 4.47Å; I490-F514 HydrophobicContact CD1-CG 4.26Å; I490-F514 HydrophobicContact CG1-CB 3.56Å; I490-F514 HydrophobicContact CG1-CD2 3.84Å; I490-F514 HydrophobicContact CG1-CG 3.82Å; I490-D518 WeakPolarHBondContact CD1-OD2 3.47Å
491	E	54.5	Low	52	Low	183 Å²	183	80.1 Å²	80.1	86%	0.855	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-68.1	-26.1	-175.7	-56.4	-169.1	158.8	0	0	111.7	D489	D489-E491 PolarHBondContact O-N 2.87Å; D489-E491 VanDerWaalsContact OD1-CB 3.32Å; D489-E491 WeakPolarHBondContact OD1-CB 3.3Å; D489-E491 PolarHBondContact OD1-N 3.18Å
492	K	55.2	Low	52	Low	158 Å²	158	83 Å²	83	69%	0.687	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-85.7	-13.1	175	-69.5	-177.2	-179.2	114	0	113.6	D489 I490	D489-K492 HydrophobicContact CB-CB 4.11Å; D489-K492 HydrophobicContact CB-CD 4.09Å; D489-K492 HydrophobicContact CB-CG 4.13Å; D489-K492 PolarHBondContact O-N 2.89Å; D489-K492 VanDerWaalsContact O-N 3.1Å; D489-K492 PolarHBondContact OD1-N 3.41Å; D489-K492 VanDerWaalsContact OD2-CD 3.27Å; D489-K492 WeakPolarHBondContact OD2-CD 3.29Å; D489-K492 VanDerWaalsContact OD2-CE 3.27Å; D489-K492 WeakPolarHBondContact OD2-CE 3.28Å; D489-K492 WeakPolarHBondContact OD2-CG 3.09Å; D489-K492 IonicContact OD2-NZ 3.19Å; D489-K492 PolarHBondContact OD2-NZ 2.89Å; I490-K492 PolarHBondContact O-N 3.5Å
493	F	54.3	Low	52.2	Low	51 Å²	51	82.4 Å²	82.4	22%	0.224	40%	0.398	C	S	.	.			trans	-88.2	115.6	-177	-168.5	-82.1	0	0	0	111.6	D489 I490 W495 T510 F514	D489-F493 PolarHBondContact O-N 3.05Å; I490-F493 PolarHBondContact O-N 3.01Å; I490-F493 VanDerWaalsContact O-N 3.09Å; F493-W495 AromaticContact CE1-CD1 3.87Å; F493-W495 AromaticContact CE1-CD2 3.83Å; F493-W495 HydrophobicContact CE1-CD2 3.83Å; F493-W495 AromaticContact CE1-CE2 3.48Å; F493-W495 VanDerWaalsContact CE1-CE2 3.48Å; F493-W495 HydrophobicContact CE1-CE3 4.49Å; F493-W495 HydrophobicContact CE1-CG 4.09Å; F493-W495 AromaticContact CE1-CZ2 3.86Å; F493-W495 HydrophobicContact CE1-CZ2 3.86Å; F493-W495 AromaticContact CE1-NE1 3.53Å; F493-W495 HydrophobicContact CZ-CD2 4.2Å; F493-W495 AromaticContact CZ-CE2 3.81Å; F493-W495 HydrophobicContact CZ-CE3 4.47Å; F493-W495 HydrophobicContact CZ-CH2 4Å; F493-W495 AromaticContact CZ-CZ2 3.71Å; F493-W495 HydrophobicContact CZ-CZ2 3.71Å; F493-W495 HydrophobicContact CZ-CZ3 4.38Å; F493-T510 HydrophobicContact CD1-CG2 3.89Å; F493-T510 HydrophobicContact CE1-CG2 3.67Å; F493-T510 HydrophobicContact CZ-CG2 4.2Å; F493-F514 HydrophobicContact CB-CE2 4.16Å; F493-F514 HydrophobicContact CD1-CE2 4.1Å; F493-F514 HydrophobicContact CD2-CE2 4.25Å; F493-F514 HydrophobicContact CD2-CZ 4.04Å; F493-F514 HydrophobicContact CE2-CZ 4.47Å; F493-F514 AromaticContact CG-CE2 3.89Å; F493-F514 HydrophobicContact CG-CE2 3.89Å; F493-F514 HydrophobicContact CG-CZ 4.14Å
494	Y	52.3	Low	52.8	Low	179 Å²	179	81.9 Å²	81.9	70%	0.702	40%	0.402	S	S	*	.			trans	-126	132.8	174.7	67.6	-86.9	0	0	0	111.8
495	W	55.3	Low	53.8	Low	27 Å²	27	83.6 Å²	83.6	10%	0.102	41%	0.409	C	S	.	.			trans	-82.1	136.2	164.4	-70.1	115.3	0	0	0	109.3	F493 M499 L500 L506 T510 M628 L632	F493-W495 AromaticContact CE1-CD1 3.87Å; F493-W495 AromaticContact CE1-CD2 3.83Å; F493-W495 HydrophobicContact CE1-CD2 3.83Å; F493-W495 AromaticContact CE1-CE2 3.48Å; F493-W495 VanDerWaalsContact CE1-CE2 3.48Å; F493-W495 HydrophobicContact CE1-CE3 4.49Å; F493-W495 HydrophobicContact CE1-CG 4.09Å; F493-W495 AromaticContact CE1-CZ2 3.86Å; F493-W495 HydrophobicContact CE1-CZ2 3.86Å; F493-W495 AromaticContact CE1-NE1 3.53Å; F493-W495 HydrophobicContact CZ-CD2 4.2Å; F493-W495 AromaticContact CZ-CE2 3.81Å; F493-W495 HydrophobicContact CZ-CE3 4.47Å; F493-W495 HydrophobicContact CZ-CH2 4Å; F493-W495 AromaticContact CZ-CZ2 3.71Å; F493-W495 HydrophobicContact CZ-CZ2 3.71Å; F493-W495 HydrophobicContact CZ-CZ3 4.38Å; W495-M499 HydrophobicContact CE3-CE 3.99Å; W495-M499 HydrophobicContact CE3-CG 4.03Å; W495-M499 HydrophobicContact CE3-SD 3.57Å; W495-M499 VanDerWaalsContact CE3-SD 3.57Å; W495-M499 HydrophobicContact CH2-CE 4.22Å; W495-M499 HydrophobicContact CZ3-CE 3.4Å; W495-M499 VanDerWaalsContact CZ3-CE 3.4Å; W495-M499 HydrophobicContact CZ3-CG 4.41Å; W495-M499 HydrophobicContact CZ3-SD 3.59Å; W495-M499 VanDerWaalsContact CZ3-SD 3.59Å; W495-L500 HydrophobicContact CB-CD1 3.93Å; W495-L500 HydrophobicContact CB-CD2 3.48Å; W495-L500 VanDerWaalsContact CB-CD2 3.48Å; W495-L500 HydrophobicContact CB-CG 3.49Å; W495-L500 VanDerWaalsContact CB-CG 3.49Å; W495-L500 HydrophobicContact CG-CD2 3.65Å; W495-L500 HydrophobicContact CG-CG 4.24Å; W495-L506 HydrophobicContact CD2-CB 4.39Å; W495-L506 HydrophobicContact CE3-CD1 4.31Å; W495-L506 HydrophobicContact CH2-CD1 4.16Å; W495-L506 HydrophobicContact CH2-CD2 4.02Å; W495-L506 HydrophobicContact CZ2-CB 3.99Å; W495-L506 HydrophobicContact CZ2-CD1 4.35Å; W495-L506 HydrophobicContact CZ2-CD2 3.95Å; W495-L506 HydrophobicContact CZ2-CG 4.35Å; W495-L506 HydrophobicContact CZ3-CD1 4.12Å; W495-L506 PolarHBondContact NE1-O 3.35Å; W495-T510 WeakPolarHBondContact CZ2-OG1 3.42Å; W495-T510 PolarHBondContact NE1-OG1 3.34Å; W495-M628 HydrophobicContact CE3-SD 4.21Å; W495-M628 HydrophobicContact CZ3-CB 3.91Å; W495-M628 HydrophobicContact CZ3-SD 4.44Å; W495-L632 HydrophobicContact CH2-CB 4.5Å; W495-L632 HydrophobicContact CH2-CD2 4.29Å; W495-L632 HydrophobicContact CZ2-CD2 4.48Å
496	S	49.5	Very low	54.3	Low	38 Å²	38	78.9 Å²	78.9	27%	0.266	39%	0.387	S	S	.	.			trans	-62.4	142.4	171.5	70.9	0	0	0	0	110.3	P498 M499 L500	S496-P498 VanDerWaalsContact C-N 3.3Å; S496-M499 WeakPolarHBondContact O-CB 3.26Å; S496-M499 PolarHBondContact O-N 3.06Å; S496-M499 WeakPolarHBondContact OG-CB 3.31Å; S496-L500 PolarHBondContact O-N 3.44Å; S496-L500 VanDerWaalsContact O-N 3.17Å
497	K	56	Low	55	Low	177 Å²	177	77 Å²	77	77%	0.77	38%	0.383	S	S	*	.	H	α-helix	trans	-50.1	-44.3	178.7	-166.1	175.6	-176.9	178.5	0	112.6	M499 L500 T501	K497-M499 VanDerWaalsContact C-N 3.26Å; K497-M499 PolarHBondContact O-N 2.99Å; K497-L500 PolarHBondContact O-N 2.87Å; K497-T501 PolarHBondContact O-N 3.07Å; K497-T501 PolarHBondContact O-OG1 2.94Å
498	P	44.6	Very low	56	Low	86 Å²	86	80 Å²	80	56%	0.558	39%	0.386	S	S	*	.	H	α-helix	trans	-59.4	-34.1	176.3	-22.9	34	0	0	0	113.9	S496 T501 N502	S496-P498 VanDerWaalsContact C-N 3.3Å; P498-T501 PolarHBondContact O-N 2.87Å; P498-N502 PolarHBondContact O-N 3.29Å; P498-N502 VanDerWaalsContact O-N 3.1Å; P498-N502 PolarHBondContact O-ND2 2.97Å
499	M	51.8	Low	56.8	Low	16 Å²	16	79.6 Å²	79.6	8%	0.079	39%	0.385	C	S	.	.	H	α-helix	trans	-73.5	-40.3	-178.7	-166.8	153.8	-174	0	0	111.6	W495 S496 K497 T501 N502 F503 L506 M628 V629	W495-M499 HydrophobicContact CE3-CE 3.99Å; W495-M499 HydrophobicContact CE3-CG 4.03Å; W495-M499 HydrophobicContact CE3-SD 3.57Å; W495-M499 VanDerWaalsContact CE3-SD 3.57Å; W495-M499 HydrophobicContact CH2-CE 4.22Å; W495-M499 HydrophobicContact CZ3-CE 3.4Å; W495-M499 VanDerWaalsContact CZ3-CE 3.4Å; W495-M499 HydrophobicContact CZ3-CG 4.41Å; W495-M499 HydrophobicContact CZ3-SD 3.59Å; W495-M499 VanDerWaalsContact CZ3-SD 3.59Å; S496-M499 WeakPolarHBondContact O-CB 3.26Å; S496-M499 PolarHBondContact O-N 3.06Å; S496-M499 WeakPolarHBondContact OG-CB 3.31Å; K497-M499 VanDerWaalsContact C-N 3.26Å; K497-M499 PolarHBondContact O-N 2.99Å; M499-T501 VanDerWaalsContact C-N 3.29Å; M499-T501 PolarHBondContact O-N 2.86Å; M499-N502 PolarHBondContact O-N 3.32Å; M499-F503 HydrophobicContact CG-CD2 4.46Å; M499-F503 PolarHBondContact O-N 3.2Å; M499-L506 HydrophobicContact CE-CD1 3.59Å; M499-L506 HydrophobicContact CG-CD1 3.72Å; M499-L506 HydrophobicContact SD-CD1 4.38Å; M499-M628 HydrophobicContact CE-CB 4.44Å; M499-M628 HydrophobicContact SD-CB 4.31Å; M499-M628 HydrophobicContact SD-SD 3.86Å; M499-V629 HydrophobicContact CE-CG2 4.07Å
500	L	61.3	Low	57.3	Low	49 Å²	49	77 Å²	77	26%	0.257	37%	0.371	S	S	.	.	H	α-helix	trans	-67.4	-31.5	172.9	-66.9	-175.3	0	0	0	112.6	W495 S496 K497 P504 K507	W495-L500 HydrophobicContact CB-CD1 3.93Å; W495-L500 HydrophobicContact CB-CD2 3.48Å; W495-L500 VanDerWaalsContact CB-CD2 3.48Å; W495-L500 HydrophobicContact CB-CG 3.49Å; W495-L500 VanDerWaalsContact CB-CG 3.49Å; W495-L500 HydrophobicContact CG-CD2 3.65Å; W495-L500 HydrophobicContact CG-CG 4.24Å; S496-L500 PolarHBondContact O-N 3.44Å; S496-L500 VanDerWaalsContact O-N 3.17Å; K497-L500 PolarHBondContact O-N 2.87Å; L500-P504 WeakPolarHBondContact O-CA 3.32Å; L500-P504 WeakPolarHBondContact O-CG 3.49Å; L500-K507 HydrophobicContact CD1-CD 4.41Å; L500-K507 HydrophobicContact CD2-CB 3.75Å
501	T	56.7	Low	58.3	Low	99 Å²	99	79.9 Å²	79.9	61%	0.607	38%	0.382	S	S	*	.	H	α-helix	trans	-65.1	-42.1	173.4	-49.9	0	0	0	0	111.4	K497 P498 M499	K497-T501 PolarHBondContact O-N 3.07Å; K497-T501 PolarHBondContact O-OG1 2.94Å; P498-T501 PolarHBondContact O-N 2.87Å; M499-T501 VanDerWaalsContact C-N 3.29Å; M499-T501 PolarHBondContact O-N 2.86Å
502	N	46.4	Very low	59.1	Low	61 Å²	61	72 Å²	72	33%	0.326	35%	0.345	S	S	.	.	H	α-helix	trans	-83	-30.2	-177.8	-69.6	-20	0	0	0	113.5	P498 M499	P498-N502 PolarHBondContact O-N 3.29Å; P498-N502 VanDerWaalsContact O-N 3.1Å; P498-N502 PolarHBondContact O-ND2 2.97Å; M499-N502 PolarHBondContact O-N 3.32Å
503	F	57.2	Low	59.6	Low	40 Å²	40	65 Å²	65	18%	0.175	32%	0.316	C	S	.	.			trans	-136.5	73.4	-177.4	-54.2	-77.5	0	0	0	110.5	M499 W505 L506 F620	M499-F503 HydrophobicContact CG-CD2 4.46Å; M499-F503 PolarHBondContact O-N 3.2Å; F503-W505 HydrophobicContact CB-CZ2 4.42Å; F503-W505 HydrophobicContact CD1-CZ2 4.12Å; F503-W505 AromaticContact CD1-NE1 3.77Å; F503-W505 PolarHBondContact O-N 3.43Å; F503-W505 VanDerWaalsContact O-N 3.13Å; F503-L506 HydrophobicContact CB-CB 4.49Å; F503-L506 HydrophobicContact CB-CD1 3.53Å; F503-L506 HydrophobicContact CB-CG 3.75Å; F503-L506 HydrophobicContact CD2-CD1 4.33Å; F503-L506 HydrophobicContact CG-CD1 4.19Å; F503-L506 WeakPolarHBondContact O-CB 3.39Å; F503-L506 PolarHBondContact O-N 2.98Å; F503-F620 AromaticContact CE2-CE1 3.9Å; F503-F620 HydrophobicContact CE2-CE1 3.9Å; F503-F620 HydrophobicContact CE2-CE2 4.28Å; F503-F620 AromaticContact CE2-CZ 3.52Å; F503-F620 HydrophobicContact CE2-CZ 3.52Å; F503-F620 HydrophobicContact CZ-CE1 4.23Å; F503-F620 AromaticContact CZ-CE2 3.87Å; F503-F620 HydrophobicContact CZ-CE2 3.87Å; F503-F620 AromaticContact CZ-CZ 3.37Å; F503-F620 HydrophobicContact CZ-CZ 3.37Å
504	P	61.6	Low	60.2	Low	79 Å²	79	63.1 Å²	63.1	51%	0.513	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-31.2	-178	-24.2	33.3	0	0	0	113.2	L500 L506 K507	L500-P504 WeakPolarHBondContact O-CA 3.32Å; L500-P504 WeakPolarHBondContact O-CG 3.49Å; P504-L506 PolarHBondContact O-N 3.14Å; P504-K507 PolarHBondContact O-N 3.06Å
505	W	63.8	Low	61	Low	39 Å²	39	56.8 Å²	56.8	15%	0.148	29%	0.288	C	S	.	.	H	α-helix	trans	-64.6	-22.2	179.6	61.1	-100	0	0	0	113.4	F503 K507 K508 L509 I551 L555 F672	F503-W505 HydrophobicContact CB-CZ2 4.42Å; F503-W505 HydrophobicContact CD1-CZ2 4.12Å; F503-W505 AromaticContact CD1-NE1 3.77Å; F503-W505 PolarHBondContact O-N 3.43Å; F503-W505 VanDerWaalsContact O-N 3.13Å; W505-K507 VanDerWaalsContact C-N 3.3Å; W505-K507 PolarHBondContact O-N 3.35Å; W505-K508 PolarHBondContact O-N 3.17Å; W505-L509 HydrophobicContact CE3-CB 4.25Å; W505-L509 HydrophobicContact CE3-CD2 4.16Å; W505-L509 HydrophobicContact CZ3-CD2 3.66Å; W505-L509 WeakPolarHBondContact O-CB 3.26Å; W505-L509 PolarHBondContact O-N 2.87Å; W505-I551 HydrophobicContact CB-CG2 4.24Å; W505-I551 HydrophobicContact CD2-CG2 4.35Å; W505-I551 HydrophobicContact CE3-CG2 3.9Å; W505-L555 HydrophobicContact CD2-CD1 4.48Å; W505-L555 HydrophobicContact CE3-CD1 4.3Å; W505-L555 HydrophobicContact CH2-CD1 4.11Å; W505-L555 HydrophobicContact CZ2-CD1 4.26Å; W505-L555 HydrophobicContact CZ2-CD2 3.93Å; W505-L555 HydrophobicContact CZ3-CD1 4.1Å; W505-F672 AromaticContact CH2-CE1 3.7Å; W505-F672 HydrophobicContact CH2-CE1 3.7Å; W505-F672 HydrophobicContact CH2-CZ 4.13Å; W505-F672 HydrophobicContact CZ2-CE1 4.3Å; W505-F672 HydrophobicContact CZ2-CZ 4.3Å
506	L	62.4	Low	61.8	Low	6 Å²	6	55.9 Å²	55.9	3%	0.031	28%	0.284	C	S	.	.	H	α-helix	trans	-60.7	-40.3	177.4	-78	173.9	0	0	0	111.6	W495 M499 F503 P504 K508 L509 T510 L632	W495-L506 HydrophobicContact CD2-CB 4.39Å; W495-L506 HydrophobicContact CE3-CD1 4.31Å; W495-L506 HydrophobicContact CH2-CD1 4.16Å; W495-L506 HydrophobicContact CH2-CD2 4.02Å; W495-L506 HydrophobicContact CZ2-CB 3.99Å; W495-L506 HydrophobicContact CZ2-CD1 4.35Å; W495-L506 HydrophobicContact CZ2-CD2 3.95Å; W495-L506 HydrophobicContact CZ2-CG 4.35Å; W495-L506 HydrophobicContact CZ3-CD1 4.12Å; W495-L506 PolarHBondContact NE1-O 3.35Å; M499-L506 HydrophobicContact CE-CD1 3.59Å; M499-L506 HydrophobicContact CG-CD1 3.72Å; M499-L506 HydrophobicContact SD-CD1 4.38Å; F503-L506 HydrophobicContact CB-CB 4.49Å; F503-L506 HydrophobicContact CB-CD1 3.53Å; F503-L506 HydrophobicContact CB-CG 3.75Å; F503-L506 HydrophobicContact CD2-CD1 4.33Å; F503-L506 HydrophobicContact CG-CD1 4.19Å; F503-L506 WeakPolarHBondContact O-CB 3.39Å; F503-L506 PolarHBondContact O-N 2.98Å; P504-L506 PolarHBondContact O-N 3.14Å; L506-K508 VanDerWaalsContact C-N 3.3Å; L506-K508 PolarHBondContact O-N 3.45Å; L506-L509 PolarHBondContact O-N 2.73Å; L506-T510 WeakPolarHBondContact O-CB 3.44Å; L506-T510 PolarHBondContact O-N 2.84Å; L506-T510 PolarHBondContact O-OG1 2.85Å; L506-L632 HydrophobicContact CD2-CD2 4.24Å
507	K	66.7	Low	62.6	Low	139 Å²	139	54.4 Å²	54.4	60%	0.604	27%	0.274	S	S	*	.	H	α-helix	trans	-59.4	-45.9	177.4	-169.3	176.4	179.3	-177.4	0	110.7	L500 P504 W505 F511	L500-K507 HydrophobicContact CD1-CD 4.41Å; L500-K507 HydrophobicContact CD2-CB 3.75Å; P504-K507 PolarHBondContact O-N 3.06Å; W505-K507 VanDerWaalsContact C-N 3.3Å; W505-K507 PolarHBondContact O-N 3.35Å; K507-F511 WeakPolarHBondContact O-CB 3.37Å; K507-F511 PolarHBondContact O-N 3Å
508	K	70.3	Confident	63.2	Low	116 Å²	116	48.3 Å²	48.3	50%	0.504	25%	0.249	S	C	.	.	H	α-helix	trans	-68	-47.2	-179	-169.3	174.8	-180	-178.6	0	111.3	W505 L506 T510 F511 N512 I551	W505-K508 PolarHBondContact O-N 3.17Å; L506-K508 VanDerWaalsContact C-N 3.3Å; L506-K508 PolarHBondContact O-N 3.45Å; K508-T510 PolarHBondContact O-N 2.88Å; K508-F511 PolarHBondContact O-N 3.47Å; K508-N512 WeakPolarHBondContact O-CB 3.26Å; K508-N512 PolarHBondContact O-N 3.09Å; K508-N512 PolarHBondContact O-ND2 2.82Å; K508-N512 VanDerWaalsContact O-ND2 3.07Å; K508-I551 HydrophobicContact CB-CD1 4.33Å; K508-I551 HydrophobicContact CD-CD1 4.4Å; K508-I551 HydrophobicContact CG-CD1 4.17Å
509	L	67.5	Low	64.5	Low	3 Å²	3	46 Å²	46	2%	0.016	24%	0.235	C	C	.	.	H	α-helix	trans	-58.4	-50.9	177.7	179.9	67.9	0	0	0	111.4	W505 L506 F511 N512 C513 V548 I551 F552	W505-L509 HydrophobicContact CE3-CB 4.25Å; W505-L509 HydrophobicContact CE3-CD2 4.16Å; W505-L509 HydrophobicContact CZ3-CD2 3.66Å; W505-L509 WeakPolarHBondContact O-CB 3.26Å; W505-L509 PolarHBondContact O-N 2.87Å; L506-L509 PolarHBondContact O-N 2.73Å; L509-F511 PolarHBondContact O-N 2.86Å; L509-N512 PolarHBondContact O-N 2.82Å; L509-C513 WeakPolarHBondContact O-CB 3.41Å; L509-C513 PolarHBondContact O-N 3.29Å; L509-C513 PolarHBondContact O-SG 2.73Å; L509-V548 HydrophobicContact CD1-CB 4.46Å; L509-V548 HydrophobicContact CD1-CG1 3.66Å; L509-V548 HydrophobicContact CD1-CG2 4.15Å; L509-I551 HydrophobicContact CB-CD1 4.05Å; L509-I551 HydrophobicContact CD1-CD1 4.36Å; L509-F552 HydrophobicContact CD1-CE2 4.38Å; L509-F552 HydrophobicContact CD1-CZ 4.03Å
510	T	64.8	Low	65.3	Low	6 Å²	6	45.2 Å²	45.2	4%	0.037	23%	0.232	C	C	.	.	H	α-helix	trans	-61.4	-45.4	-179.6	-63.8	0	0	0	0	111.9	F493 W495 L506 K508 C513 F514	F493-T510 HydrophobicContact CD1-CG2 3.89Å; F493-T510 HydrophobicContact CE1-CG2 3.67Å; F493-T510 HydrophobicContact CZ-CG2 4.2Å; W495-T510 WeakPolarHBondContact CZ2-OG1 3.42Å; W495-T510 PolarHBondContact NE1-OG1 3.34Å; L506-T510 WeakPolarHBondContact O-CB 3.44Å; L506-T510 PolarHBondContact O-N 2.84Å; L506-T510 PolarHBondContact O-OG1 2.85Å; K508-T510 PolarHBondContact O-N 2.88Å; T510-C513 PolarHBondContact O-N 2.82Å; T510-F514 HydrophobicContact CG2-CD2 3.43Å; T510-F514 VanDerWaalsContact CG2-CD2 3.43Å; T510-F514 HydrophobicContact CG2-CE2 3.03Å; T510-F514 HydrophobicContact CG2-CZ 3.88Å; T510-F514 WeakPolarHBondContact O-CD2 3.16Å; T510-F514 WeakPolarHBondContact O-CG 3.47Å; T510-F514 PolarHBondContact O-N 3.26Å
511	F	71.3	Confident	65.6	Low	126 Å²	126	43 Å²	43	55%	0.553	22%	0.22	S	C	*	.	H	α-helix	trans	-57.3	-51	174.8	-179.6	-97.1	0	0	0	111.1	K507 K508 L509 C513 F514 T515	K507-F511 WeakPolarHBondContact O-CB 3.37Å; K507-F511 PolarHBondContact O-N 3Å; K508-F511 PolarHBondContact O-N 3.47Å; L509-F511 PolarHBondContact O-N 2.86Å; F511-C513 PolarHBondContact O-N 3.36Å; F511-F514 PolarHBondContact O-N 2.92Å; F511-T515 WeakPolarHBondContact O-CB 3.44Å; F511-T515 PolarHBondContact O-N 3.21Å; F511-T515 PolarHBondContact O-OG1 2.81Å
512	N	71.3	Confident	66.1	Low	17 Å²	17	42.6 Å²	42.6	9%	0.091	21%	0.214	C	C	.	.	H	α-helix	trans	-62.7	-40.4	-179.2	-63.5	-27.1	0	0	0	113	K508 L509 F516 N547 V548	K508-N512 WeakPolarHBondContact O-CB 3.26Å; K508-N512 PolarHBondContact O-N 3.09Å; K508-N512 PolarHBondContact O-ND2 2.82Å; K508-N512 VanDerWaalsContact O-ND2 3.07Å; L509-N512 PolarHBondContact O-N 2.82Å; N512-F516 VanDerWaalsContact O-CB 3.23Å; N512-F516 WeakPolarHBondContact O-CB 3.4Å; N512-F516 PolarHBondContact O-N 3.41Å; N512-N547 HydrophobicContact CB-CB 4.38Å; N512-N547 WeakPolarHBondContact ND2-CB 3.46Å; N512-N547 PolarHBondContact ND2-O 3.07Å; N512-V548 HydrophobicContact CB-CG2 3.59Å
513	C	65.8	Low	67.3	Low	10 Å²	10	40.4 Å²	40.4	7%	0.068	20%	0.203	C	C	.	.	H	α-helix	trans	-61.8	-45.3	174.5	-70.9	0	0	0	0	111.8	L509 T510 F511 L517 F544	L509-C513 WeakPolarHBondContact O-CB 3.41Å; L509-C513 PolarHBondContact O-N 3.29Å; L509-C513 PolarHBondContact O-SG 2.73Å; T510-C513 PolarHBondContact O-N 2.82Å; F511-C513 PolarHBondContact O-N 3.36Å; C513-L517 VanDerWaalsContact O-CG 3.3Å; C513-L517 WeakPolarHBondContact O-CG 3.46Å; C513-L517 PolarHBondContact O-N 2.84Å; C513-L517 VanDerWaalsContact O-N 3.1Å; C513-F544 HydrophobicContact CB-CE2 4.35Å
514	F	66.5	Low	67.7	Low	13 Å²	13	38.7 Å²	38.7	6%	0.057	20%	0.195	C	C	.	.	H	α-helix	trans	-72	-44.7	-179.2	-65.6	-47	0	0	0	112.3	F488 I490 F493 T510 F511 F516 L517 D518 Q635	F488-F514 HydrophobicContact CD1-CD1 4.44Å; F488-F514 AromaticContact CD1-CE1 3.87Å; F488-F514 HydrophobicContact CD1-CE1 3.87Å; I490-F514 HydrophobicContact CD1-CB 3.45Å; I490-F514 VanDerWaalsContact CD1-CB 3.45Å; I490-F514 HydrophobicContact CD1-CD2 4.47Å; I490-F514 HydrophobicContact CD1-CG 4.26Å; I490-F514 HydrophobicContact CG1-CB 3.56Å; I490-F514 HydrophobicContact CG1-CD2 3.84Å; I490-F514 HydrophobicContact CG1-CG 3.82Å; F493-F514 HydrophobicContact CB-CE2 4.16Å; F493-F514 HydrophobicContact CD1-CE2 4.1Å; F493-F514 HydrophobicContact CD2-CE2 4.25Å; F493-F514 HydrophobicContact CD2-CZ 4.04Å; F493-F514 HydrophobicContact CE2-CZ 4.47Å; F493-F514 AromaticContact CG-CE2 3.89Å; F493-F514 HydrophobicContact CG-CE2 3.89Å; F493-F514 HydrophobicContact CG-CZ 4.14Å; T510-F514 HydrophobicContact CG2-CD2 3.43Å; T510-F514 VanDerWaalsContact CG2-CD2 3.43Å; T510-F514 HydrophobicContact CG2-CE2 3.03Å; T510-F514 HydrophobicContact CG2-CZ 3.88Å; T510-F514 WeakPolarHBondContact O-CD2 3.16Å; T510-F514 WeakPolarHBondContact O-CG 3.47Å; T510-F514 PolarHBondContact O-N 3.26Å; F511-F514 PolarHBondContact O-N 2.92Å; F514-F516 VanDerWaalsContact C-N 3.25Å; F514-F516 PolarHBondContact O-N 3.45Å; F514-L517 PolarHBondContact O-N 3.43Å; F514-L517 VanDerWaalsContact O-N 3.07Å; F514-D518 WeakPolarHBondContact O-CB 3.4Å; F514-D518 PolarHBondContact O-N 3.43Å; F514-Q635 VanDerWaalsContact CZ-OE1 3.26Å
515	T	70.8	Confident	67.8	Low	45 Å²	45	38.1 Å²	38.1	28%	0.276	19%	0.186	S	C	.	.	H	α-helix	trans	-59.1	-38.5	175.7	-55.6	0	0	0	0	111.6	F511 S519	F511-T515 WeakPolarHBondContact O-CB 3.44Å; F511-T515 PolarHBondContact O-N 3.21Å; F511-T515 PolarHBondContact O-OG1 2.81Å; T515-S519 VanDerWaalsContact O-CB 3.28Å; T515-S519 WeakPolarHBondContact O-CB 3.19Å; T515-S519 PolarHBondContact O-N 3.42Å; T515-S519 PolarHBondContact O-OG 3.45Å
516	F	71.5	Confident	68.1	Low	8 Å²	8	37.5 Å²	37.5	4%	0.035	19%	0.188	C	C	.	.	H	α-helix	trans	-63.1	-46.2	173.8	171.3	-109.4	0	0	0	112.1	N512 F514 S519 V520 S540 C541 F544 L643 V662	N512-F516 VanDerWaalsContact O-CB 3.23Å; N512-F516 WeakPolarHBondContact O-CB 3.4Å; N512-F516 PolarHBondContact O-N 3.41Å; F514-F516 VanDerWaalsContact C-N 3.25Å; F514-F516 PolarHBondContact O-N 3.45Å; F516-S519 PolarHBondContact O-N 3.23Å; F516-V520 HydrophobicContact CD2-CG2 4.07Å; F516-V520 HydrophobicContact CE1-CG2 4.33Å; F516-V520 HydrophobicContact CE2-CG2 3.64Å; F516-V520 HydrophobicContact CZ-CG2 3.79Å; F516-V520 WeakPolarHBondContact O-CB 2.89Å; F516-V520 VanDerWaalsContact O-CG2 3.27Å; F516-V520 WeakPolarHBondContact O-CG2 3.26Å; F516-V520 PolarHBondContact O-N 2.93Å; F516-S540 WeakPolarHBondContact CD2-O 3.47Å; F516-C541 HydrophobicContact CE2-CB 4.44Å; F516-F544 HydrophobicContact CB-CB 4.03Å; F516-F544 HydrophobicContact CB-CD2 3.48Å; F516-F544 VanDerWaalsContact CB-CD2 3.48Å; F516-F544 HydrophobicContact CB-CE2 4.25Å; F516-F544 HydrophobicContact CB-CG 3.99Å; F516-F544 HydrophobicContact CD1-CD2 4.05Å; F516-F544 HydrophobicContact CD1-CE2 4.39Å; F516-F544 HydrophobicContact CD1-CG 4.13Å; F516-F544 HydrophobicContact CD2-CB 3.56Å; F516-F544 HydrophobicContact CD2-CD2 4.38Å; F516-F544 HydrophobicContact CD2-CG 4.02Å; F516-F544 HydrophobicContact CE2-CB 4.15Å; F516-F544 HydrophobicContact CG-CB 3.79Å; F516-F544 AromaticContact CG-CD2 3.71Å; F516-F544 HydrophobicContact CG-CD2 3.71Å; F516-F544 HydrophobicContact CG-CE2 4.46Å; F516-F544 AromaticContact CG-CG 3.77Å; F516-F544 HydrophobicContact CG-CG 3.77Å; F516-L643 HydrophobicContact CE1-CD1 3.95Å; F516-L643 HydrophobicContact CE1-CD2 4.2Å; F516-L643 HydrophobicContact CZ-CD2 4.21Å; F516-V662 HydrophobicContact CE1-CG1 4.16Å; F516-V662 HydrophobicContact CZ-CG1 3.98Å
517	L	67	Low	68.6	Low	8 Å²	8	45.4 Å²	45.4	4%	0.042	23%	0.23	C	C	.	.	H	α-helix	trans	-64.5	-46.3	178.8	-71.3	166.3	0	0	0	111.8	C513 F514 S519 V520 V521 A639	C513-L517 VanDerWaalsContact O-CG 3.3Å; C513-L517 WeakPolarHBondContact O-CG 3.46Å; C513-L517 PolarHBondContact O-N 2.84Å; C513-L517 VanDerWaalsContact O-N 3.1Å; F514-L517 PolarHBondContact O-N 3.43Å; F514-L517 VanDerWaalsContact O-N 3.07Å; L517-S519 VanDerWaalsContact C-N 3.33Å; L517-S519 PolarHBondContact O-N 3.36Å; L517-V520 PolarHBondContact O-N 3.36Å; L517-V521 WeakPolarHBondContact O-CB 3.44Å; L517-V521 WeakPolarHBondContact O-CG2 3.48Å; L517-V521 PolarHBondContact O-N 2.85Å; L517-A639 HydrophobicContact CD1-CB 3.76Å; L517-A639 HydrophobicContact CD2-CB 3.59Å; L517-A639 HydrophobicContact CG-CB 4.22Å
518	D	67.8	Low	68.8	Low	48 Å²	48	43 Å²	43	26%	0.257	22%	0.219	S	C	.	.	H	α-helix	trans	-59.5	-45.7	177	-69	-13.7	0	0	0	110.5	I490 F514 V520 V521 D522	I490-D518 WeakPolarHBondContact CD1-OD2 3.47Å; F514-D518 WeakPolarHBondContact O-CB 3.4Å; F514-D518 PolarHBondContact O-N 3.43Å; D518-V520 PolarHBondContact O-N 2.86Å; D518-V521 PolarHBondContact O-N 2.86Å; D518-D522 WeakPolarHBondContact O-CB 3.49Å; D518-D522 VanDerWaalsContact O-CG 3.26Å; D518-D522 PolarHBondContact O-N 2.81Å
519	S	72.6	Confident	68.8	Low	37 Å²	37	41 Å²	41	26%	0.259	22%	0.217	S	C	.	.	H	α-helix	trans	-61.5	-43.1	177.5	-56.8	0	0	0	0	112	T515 F516 L517 V523	T515-S519 VanDerWaalsContact O-CB 3.28Å; T515-S519 WeakPolarHBondContact O-CB 3.19Å; T515-S519 PolarHBondContact O-N 3.42Å; T515-S519 PolarHBondContact O-OG 3.45Å; F516-S519 PolarHBondContact O-N 3.23Å; L517-S519 VanDerWaalsContact C-N 3.33Å; L517-S519 PolarHBondContact O-N 3.36Å; S519-V523 WeakPolarHBondContact O-CB 3.26Å; S519-V523 WeakPolarHBondContact O-CG2 3.48Å; S519-V523 PolarHBondContact O-N 2.9Å
520	V	68.2	Low	68.6	Low	1 Å²	1	45.1 Å²	45.1	1%	0.006	24%	0.236	C	C	.	.	H	α-helix	trans	-65.7	-40.6	177	170.9	0	0	0	0	110.8	F516 L517 D518 L524 I646	F516-V520 HydrophobicContact CD2-CG2 4.07Å; F516-V520 HydrophobicContact CE1-CG2 4.33Å; F516-V520 HydrophobicContact CE2-CG2 3.64Å; F516-V520 HydrophobicContact CZ-CG2 3.79Å; F516-V520 WeakPolarHBondContact O-CB 2.89Å; F516-V520 VanDerWaalsContact O-CG2 3.27Å; F516-V520 WeakPolarHBondContact O-CG2 3.26Å; F516-V520 PolarHBondContact O-N 2.93Å; L517-V520 PolarHBondContact O-N 3.36Å; D518-V520 PolarHBondContact O-N 2.86Å; V520-L524 HydrophobicContact CG1-CD1 3.8Å; V520-L524 HydrophobicContact CG1-CG 4.36Å; V520-L524 WeakPolarHBondContact O-CB 3.24Å; V520-L524 WeakPolarHBondContact O-CG 3.25Å; V520-L524 PolarHBondContact O-N 3.38Å; V520-I646 HydrophobicContact CG1-CD1 4.15Å
521	V	66.6	Low	68.6	Low	3 Å²	3	51.3 Å²	51.3	2%	0.018	27%	0.269	C	S	.	.	H	α-helix	trans	-63.9	-48.5	177.9	167.4	0	0	0	0	111.2	G481 C484 L517 D518 V523 L524 Q525	G481-V521 WeakPolarHBondContact O-CG1 3.42Å; C484-V521 HydrophobicContact CB-CG2 3.35Å; L517-V521 WeakPolarHBondContact O-CB 3.44Å; L517-V521 WeakPolarHBondContact O-CG2 3.48Å; L517-V521 PolarHBondContact O-N 2.85Å; D518-V521 PolarHBondContact O-N 2.86Å; V521-V523 VanDerWaalsContact C-N 3.32Å; V521-V523 PolarHBondContact O-N 3.37Å; V521-L524 PolarHBondContact O-N 3.45Å; V521-L524 VanDerWaalsContact O-N 3.16Å; V521-Q525 HydrophobicContact CG1-CG 4.41Å; V521-Q525 WeakPolarHBondContact O-CB 3.26Å; V521-Q525 WeakPolarHBondContact O-CG 3.41Å; V521-Q525 PolarHBondContact O-N 3.16Å
522	D	68.8	Low	68.5	Low	89 Å²	89	49.7 Å²	49.7	48%	0.476	26%	0.264	S	S	.	.	H	α-helix	trans	-60.5	-43.3	179.2	-73	-14.7	0	0	0	110.8	D518 Q525 S526	D518-D522 WeakPolarHBondContact O-CB 3.49Å; D518-D522 VanDerWaalsContact O-CG 3.26Å; D518-D522 PolarHBondContact O-N 2.81Å; D522-Q525 PolarHBondContact O-N 2.88Å; D522-S526 WeakPolarHBondContact O-CB 3.36Å; D522-S526 PolarHBondContact O-N 2.93Å
523	V	71.3	Confident	68.3	Low	15 Å²	15	49.8 Å²	49.8	9%	0.091	26%	0.263	C	S	.	.	H	α-helix	trans	-65.9	-40	176.4	175.6	0	0	0	0	111.2	S519 V521 S526 K533 F536 I537	S519-V523 WeakPolarHBondContact O-CB 3.26Å; S519-V523 WeakPolarHBondContact O-CG2 3.48Å; S519-V523 PolarHBondContact O-N 2.9Å; V521-V523 VanDerWaalsContact C-N 3.32Å; V521-V523 PolarHBondContact O-N 3.37Å; V523-S526 WeakPolarHBondContact O-CB 3.42Å; V523-S526 PolarHBondContact O-N 3.28Å; V523-S526 PolarHBondContact O-OG 2.82Å; V523-K533 HydrophobicContact CG1-CB 3.84Å; V523-K533 HydrophobicContact CG1-CG 3.94Å; V523-K533 WeakPolarHBondContact O-CD 3.32Å; V523-K533 WeakPolarHBondContact O-CE 3.41Å; V523-F536 HydrophobicContact CB-CB 4.42Å; V523-F536 HydrophobicContact CG1-CB 3.89Å; V523-F536 HydrophobicContact CG2-CB 3.57Å; V523-F536 HydrophobicContact CG2-CG 4.34Å; V523-I537 HydrophobicContact CB-CG1 4.26Å; V523-I537 HydrophobicContact CG1-CD1 4.2Å; V523-I537 HydrophobicContact CG1-CG1 3.72Å
524	L	64.2	Low	68.1	Low	4 Å²	4	51.6 Å²	51.6	2%	0.021	27%	0.271	C	S	.	.	H	α-helix	trans	-67.8	-36.9	177.7	-71.5	170.2	0	0	0	112.7	C477 V520 V521 S526 K533 I537 I646	C477-L524 HydrophobicContact CB-CD2 4.11Å; V520-L524 HydrophobicContact CG1-CD1 3.8Å; V520-L524 HydrophobicContact CG1-CG 4.36Å; V520-L524 WeakPolarHBondContact O-CB 3.24Å; V520-L524 WeakPolarHBondContact O-CG 3.25Å; V520-L524 PolarHBondContact O-N 3.38Å; V521-L524 PolarHBondContact O-N 3.45Å; V521-L524 VanDerWaalsContact O-N 3.16Å; L524-S526 VanDerWaalsContact C-N 3.34Å; L524-K533 PolarHBondContact O-NZ 2.9Å; L524-I537 HydrophobicContact CD2-CD1 4.16Å; L524-I646 HydrophobicContact CD1-CD1 3.55Å; L524-I646 HydrophobicContact CD1-CG1 4.09Å
525	Q	65	Low	68.1	Low	67 Å²	67	54.3 Å²	54.3	31%	0.313	29%	0.289	S	S	.	.	H	α-helix	trans	-76.9	-19.1	177.2	-72.3	-177.5	-1.3	0	0	113.5	G481 V521 D522	G481-Q525 VanDerWaalsContact C-NE2 3.31Å; V521-Q525 HydrophobicContact CG1-CG 4.41Å; V521-Q525 WeakPolarHBondContact O-CB 3.26Å; V521-Q525 WeakPolarHBondContact O-CG 3.41Å; V521-Q525 PolarHBondContact O-N 3.16Å; D522-Q525 PolarHBondContact O-N 2.88Å
526	S	70.1	Confident	68	Low	27 Å²	27	56.8 Å²	56.8	19%	0.189	30%	0.297	C	S	.	.	S	Bend	trans	-62.4	155.1	178.5	74.1	0	0	0	0	112.8	D522 V523 L524 F528 K533	D522-S526 WeakPolarHBondContact O-CB 3.36Å; D522-S526 PolarHBondContact O-N 2.93Å; V523-S526 WeakPolarHBondContact O-CB 3.42Å; V523-S526 PolarHBondContact O-N 3.28Å; V523-S526 PolarHBondContact O-OG 2.82Å; L524-S526 VanDerWaalsContact C-N 3.34Å; S526-F528 VanDerWaalsContact CB-CD2 3.48Å; S526-F528 PolarHBondContact O-N 3.29Å; S526-F528 WeakPolarHBondContact OG-CB 2.96Å; S526-F528 WeakPolarHBondContact OG-CD2 3.45Å; S526-F528 WeakPolarHBondContact OG-CG 3.34Å; S526-F528 PolarHBondContact OG-N 2.77Å; S526-K533 WeakPolarHBondContact O-CE 3.46Å; S526-K533 PolarHBondContact O-NZ 3.22Å
527	N	72.9	Confident	67.8	Low	172 Å²	172	56.6 Å²	56.6	92%	0.92	30%	0.296	S	S	*	.	S	Bend	trans	-76.4	10.2	173.8	-66.2	-21.7	0	0	0	113.2
528	F	70.2	Confident	67.6	Low	87 Å²	87	57.3 Å²	57.3	38%	0.382	30%	0.299	S	S	.	.			trans	-62.1	146.7	176.9	-66.3	-40.7	0	0	0	110.8	S526 E532 K533 F536	S526-F528 VanDerWaalsContact CB-CD2 3.48Å; S526-F528 PolarHBondContact O-N 3.29Å; S526-F528 WeakPolarHBondContact OG-CB 2.96Å; S526-F528 WeakPolarHBondContact OG-CD2 3.45Å; S526-F528 WeakPolarHBondContact OG-CG 3.34Å; S526-F528 PolarHBondContact OG-N 2.77Å; F528-E532 WeakPolarHBondContact CA-OE2 3.5Å; F528-E532 HydrophobicContact CB-CB 3.77Å; F528-E532 HydrophobicContact CD1-CB 4.41Å; F528-E532 HydrophobicContact CG-CB 4.23Å; F528-K533 HydrophobicContact CB-CG 3.65Å; F528-K533 WeakPolarHBondContact O-CE 3.5Å; F528-F536 HydrophobicContact CD2-CD2 4.11Å; F528-F536 HydrophobicContact CD2-CE2 4.03Å; F528-F536 HydrophobicContact CE2-CD2 4.14Å; F528-F536 AromaticContact CE2-CE2 3.83Å; F528-F536 HydrophobicContact CE2-CE2 3.83Å; F528-F536 HydrophobicContact CE2-CZ 4.32Å; F528-F536 HydrophobicContact CZ-CE2 4.15Å; F528-F536 HydrophobicContact CZ-CZ 4.38Å
529	T	71.3	Confident	67.7	Low	75 Å²	75	57.8 Å²	57.8	46%	0.46	31%	0.31	S	S	.	.			trans	-62.7	156.8	166.6	57.7	0	0	0	0	110	D531 E532 K533	T529-D531 PolarHBondContact O-N 3.24Å; T529-E532 PolarHBondContact N-OE2 2.86Å; T529-E532 WeakPolarHBondContact O-CB 3.42Å; T529-E532 PolarHBondContact O-N 2.87Å; T529-E532 WeakPolarHBondContact OG1-CB 3.49Å; T529-E532 WeakPolarHBondContact OG1-CG 3.42Å; T529-E532 PolarHBondContact OG1-N 3.43Å; T529-E532 PolarHBondContact OG1-OE2 2.88Å; T529-K533 WeakPolarHBondContact O-CG 3.35Å; T529-K533 PolarHBondContact O-N 3.27Å
530	E	62.7	Low	67.6	Low	89 Å²	89	56.8 Å²	56.8	42%	0.416	30%	0.303	S	S	.	.	H	α-helix	trans	-55.7	-36.2	177.2	-71.5	-65.7	137	0	0	111.9	E532 K533 E534	E530-E532 VanDerWaalsContact C-N 3.34Å; E530-E532 PolarHBondContact O-N 2.93Å; E530-K533 PolarHBondContact O-N 2.87Å; E530-E534 PolarHBondContact O-N 3.15Å
531	D	64.7	Low	67.5	Low	136 Å²	136	57 Å²	57	73%	0.727	31%	0.305	S	S	*	.	H	α-helix	trans	-66.2	-33.8	175.7	-64.3	-26.9	0	0	0	112.6	T529 P535	T529-D531 PolarHBondContact O-N 3.24Å; D531-P535 WeakPolarHBondContact O-CD 3.41Å
532	E	69.1	Low	67.6	Low	93 Å²	93	60 Å²	60	44%	0.435	32%	0.32	S	S	.	.	H	α-helix	trans	-78.5	-34.3	175.2	-75.8	166.9	157.7	0	0	112.2	F528 T529 E530 E534 P535 F536	F528-E532 WeakPolarHBondContact CA-OE2 3.5Å; F528-E532 HydrophobicContact CB-CB 3.77Å; F528-E532 HydrophobicContact CD1-CB 4.41Å; F528-E532 HydrophobicContact CG-CB 4.23Å; T529-E532 PolarHBondContact N-OE2 2.86Å; T529-E532 WeakPolarHBondContact O-CB 3.42Å; T529-E532 PolarHBondContact O-N 2.87Å; T529-E532 WeakPolarHBondContact OG1-CB 3.49Å; T529-E532 WeakPolarHBondContact OG1-CG 3.42Å; T529-E532 PolarHBondContact OG1-N 3.43Å; T529-E532 PolarHBondContact OG1-OE2 2.88Å; E530-E532 VanDerWaalsContact C-N 3.34Å; E530-E532 PolarHBondContact O-N 2.93Å; E532-E534 VanDerWaalsContact C-N 3.31Å; E532-E534 PolarHBondContact O-N 3.36Å; E532-P535 VanDerWaalsContact O-CD 3.23Å; E532-P535 WeakPolarHBondContact O-CD 3.32Å; E532-P535 VanDerWaalsContact O-CG 3.25Å; E532-P535 WeakPolarHBondContact O-CG 3.4Å; E532-F536 WeakPolarHBondContact O-CD2 3.3Å
533	K	66.2	Low	67.8	Low	19 Å²	19	60.1 Å²	60.1	8%	0.083	32%	0.321	C	S	.	.	H	α-helix	trans	-65.7	-36.4	177.6	-71.9	-178.6	179.3	175.8	0	112	V523 L524 S526 F528 T529 E530 F536 I537	V523-K533 HydrophobicContact CG1-CB 3.84Å; V523-K533 HydrophobicContact CG1-CG 3.94Å; V523-K533 WeakPolarHBondContact O-CD 3.32Å; V523-K533 WeakPolarHBondContact O-CE 3.41Å; L524-K533 PolarHBondContact O-NZ 2.9Å; S526-K533 WeakPolarHBondContact O-CE 3.46Å; S526-K533 PolarHBondContact O-NZ 3.22Å; F528-K533 HydrophobicContact CB-CG 3.65Å; F528-K533 WeakPolarHBondContact O-CE 3.5Å; T529-K533 WeakPolarHBondContact O-CG 3.35Å; T529-K533 PolarHBondContact O-N 3.27Å; E530-K533 PolarHBondContact O-N 2.87Å; K533-F536 PolarHBondContact O-N 3.34Å; K533-I537 WeakPolarHBondContact O-CG1 3.44Å; K533-I537 PolarHBondContact O-N 3.26Å
534	E	62.1	Low	67.7	Low	48 Å²	48	59.7 Å²	59.7	22%	0.224	32%	0.318	C	S	.	.	H	α-helix	trans	-49.7	-62	-178.1	-171.5	-177.4	153.6	0	0	112.5	E530 E532 F536 I537 L538 S654 L655	E530-E534 PolarHBondContact O-N 3.15Å; E532-E534 VanDerWaalsContact C-N 3.31Å; E532-E534 PolarHBondContact O-N 3.36Å; E534-F536 VanDerWaalsContact C-N 3.27Å; E534-F536 PolarHBondContact O-N 3.07Å; E534-I537 PolarHBondContact O-N 3.22Å; E534-I537 VanDerWaalsContact O-N 3.09Å; E534-L538 HydrophobicContact CG-CD1 4.22Å; E534-L538 HydrophobicContact CG-CD2 4.48Å; E534-L538 HydrophobicContact CG-CG 4.18Å; E534-L538 VanDerWaalsContact O-CG 3.26Å; E534-L538 WeakPolarHBondContact O-CG 3.49Å; E534-L538 PolarHBondContact O-N 3.13Å; E534-S654 WeakPolarHBondContact OE1-CB 3.33Å; E534-S654 PolarHBondContact OE1-OG 3.48Å; E534-S654 PolarHBondContact OE2-OG 3.29Å; E534-L655 HydrophobicContact CG-CD1 4.48Å
535	P	67.3	Low	67.8	Low	69 Å²	69	65 Å²	65	45%	0.448	34%	0.338	S	S	.	.	H	α-helix	trans	-58.7	-33	-176.5	22.7	-34.9	0	0	0	113.9	D531 E532 L538 A539	D531-P535 WeakPolarHBondContact O-CD 3.41Å; E532-P535 VanDerWaalsContact O-CD 3.23Å; E532-P535 WeakPolarHBondContact O-CD 3.32Å; E532-P535 VanDerWaalsContact O-CG 3.25Å; E532-P535 WeakPolarHBondContact O-CG 3.4Å; P535-L538 PolarHBondContact O-N 2.97Å; P535-A539 WeakPolarHBondContact O-CB 3.32Å; P535-A539 PolarHBondContact O-N 3.3Å
536	F	69.1	Low	68.2	Low	98 Å²	98	68.4 Å²	68.4	43%	0.43	35%	0.353	S	S	.	.	H	α-helix	trans	-70.2	-41.4	176.5	-68	-72.8	0	0	0	112.5	V523 F528 E532 K533 E534 L538 A539 S540	V523-F536 HydrophobicContact CB-CB 4.42Å; V523-F536 HydrophobicContact CG1-CB 3.89Å; V523-F536 HydrophobicContact CG2-CB 3.57Å; V523-F536 HydrophobicContact CG2-CG 4.34Å; F528-F536 HydrophobicContact CD2-CD2 4.11Å; F528-F536 HydrophobicContact CD2-CE2 4.03Å; F528-F536 HydrophobicContact CE2-CD2 4.14Å; F528-F536 AromaticContact CE2-CE2 3.83Å; F528-F536 HydrophobicContact CE2-CE2 3.83Å; F528-F536 HydrophobicContact CE2-CZ 4.32Å; F528-F536 HydrophobicContact CZ-CE2 4.15Å; F528-F536 HydrophobicContact CZ-CZ 4.38Å; E532-F536 WeakPolarHBondContact O-CD2 3.3Å; K533-F536 PolarHBondContact O-N 3.34Å; E534-F536 VanDerWaalsContact C-N 3.27Å; E534-F536 PolarHBondContact O-N 3.07Å; F536-L538 VanDerWaalsContact C-N 3.29Å; F536-A539 PolarHBondContact O-N 2.96Å; F536-S540 WeakPolarHBondContact O-CB 3.14Å; F536-S540 PolarHBondContact O-N 2.92Å; F536-S540 PolarHBondContact O-OG 3.34Å
537	I	66.2	Low	68.3	Low	4 Å²	4	69.3 Å²	69.3	2%	0.021	36%	0.356	C	S	.	.	H	α-helix	trans	-65.3	-38.4	173.7	-62.5	172.2	0	0	0	109.6	V523 L524 K533 E534 S540 C541 L655	V523-I537 HydrophobicContact CB-CG1 4.26Å; V523-I537 HydrophobicContact CG1-CD1 4.2Å; V523-I537 HydrophobicContact CG1-CG1 3.72Å; L524-I537 HydrophobicContact CD2-CD1 4.16Å; K533-I537 WeakPolarHBondContact O-CG1 3.44Å; K533-I537 PolarHBondContact O-N 3.26Å; E534-I537 PolarHBondContact O-N 3.22Å; E534-I537 VanDerWaalsContact O-N 3.09Å; I537-S540 PolarHBondContact O-N 3.21Å; I537-C541 WeakPolarHBondContact O-CB 3.3Å; I537-C541 PolarHBondContact O-N 2.92Å; I537-C541 PolarHBondContact O-SG 3.38Å; I537-L655 HydrophobicContact CB-CD1 3.93Å; I537-L655 HydrophobicContact CD1-CD1 3.94Å; I537-L655 HydrophobicContact CD1-CD2 4.39Å; I537-L655 HydrophobicContact CG2-CD1 3.76Å
538	L	62.6	Low	68	Low	22 Å²	22	61.2 Å²	61.2	12%	0.115	31%	0.313	C	S	.	.	H	α-helix	trans	-61.1	-50.5	176.1	-61.8	-166.8	0	0	0	111.7	E534 P535 F536 S540 C541 D542 R658	E534-L538 HydrophobicContact CG-CD1 4.22Å; E534-L538 HydrophobicContact CG-CD2 4.48Å; E534-L538 HydrophobicContact CG-CG 4.18Å; E534-L538 VanDerWaalsContact O-CG 3.26Å; E534-L538 WeakPolarHBondContact O-CG 3.49Å; E534-L538 PolarHBondContact O-N 3.13Å; P535-L538 PolarHBondContact O-N 2.97Å; F536-L538 VanDerWaalsContact C-N 3.29Å; L538-S540 PolarHBondContact O-N 3.48Å; L538-C541 WeakPolarHBondContact O-CB 3.29Å; L538-C541 PolarHBondContact O-N 3.36Å; L538-C541 VanDerWaalsContact O-N 3.11Å; L538-D542 PolarHBondContact O-N 2.95Å; L538-R658 HydrophobicContact CD2-CB 3.71Å; L538-R658 HydrophobicContact CD2-CG 4.07Å
539	A	70.2	Confident	67.8	Low	59 Å²	59	59.3 Å²	59.3	49%	0.488	31%	0.307	S	S	.	.	H	α-helix	trans	-58.4	-40	177.1	0	0	0	0	0	111.6	P535 F536 L543	P535-A539 WeakPolarHBondContact O-CB 3.32Å; P535-A539 PolarHBondContact O-N 3.3Å; F536-A539 PolarHBondContact O-N 2.96Å; A539-L543 VanDerWaalsContact O-CB 3.25Å; A539-L543 WeakPolarHBondContact O-CB 3.21Å; A539-L543 PolarHBondContact O-N 3.37Å
540	S	70.5	Confident	67.6	Low	16 Å²	16	59 Å²	59	11%	0.112	31%	0.305	C	S	.	.	H	α-helix	trans	-66.4	-39.5	176.9	-57.4	0	0	0	0	112.2	F516 F536 I537 L538 F544	F516-S540 WeakPolarHBondContact CD2-O 3.47Å; F536-S540 WeakPolarHBondContact O-CB 3.14Å; F536-S540 PolarHBondContact O-N 2.92Å; F536-S540 PolarHBondContact O-OG 3.34Å; I537-S540 PolarHBondContact O-N 3.21Å; L538-S540 PolarHBondContact O-N 3.48Å; S540-F544 VanDerWaalsContact O-CB 3.31Å; S540-F544 WeakPolarHBondContact O-CB 3.45Å; S540-F544 PolarHBondContact O-N 3.06Å
541	C	66.1	Low	67.7	Low	5 Å²	5	55.5 Å²	55.5	3%	0.034	29%	0.29	C	S	.	.	H	α-helix	trans	-65.5	-45.1	177	-71.6	0	0	0	0	112	F516 I537 L538 F544 R545 V662	F516-C541 HydrophobicContact CE2-CB 4.44Å; I537-C541 WeakPolarHBondContact O-CB 3.3Å; I537-C541 PolarHBondContact O-N 2.92Å; I537-C541 PolarHBondContact O-SG 3.38Å; L538-C541 WeakPolarHBondContact O-CB 3.29Å; L538-C541 PolarHBondContact O-N 3.36Å; L538-C541 VanDerWaalsContact O-N 3.11Å; C541-F544 PolarHBondContact O-N 2.79Å; C541-R545 WeakPolarHBondContact O-CB 3.22Å; C541-R545 PolarHBondContact O-N 3.31Å; C541-V662 HydrophobicContact CB-CG2 3.51Å
542	D	69.4	Low	67.5	Low	65 Å²	65	50 Å²	50	35%	0.348	26%	0.26	S	S	.	.	H	α-helix	trans	-65.2	-45.3	179	-68.6	-24.2	0	0	0	110	L538 F544 R545 E546 R658	L538-D542 PolarHBondContact O-N 2.95Å; D542-F544 VanDerWaalsContact C-N 3.34Å; D542-F544 PolarHBondContact O-N 2.97Å; D542-R545 WeakPolarHBondContact O-CB 3.44Å; D542-R545 PolarHBondContact O-N 2.86Å; D542-E546 WeakPolarHBondContact O-CG 3.44Å; D542-E546 PolarHBondContact O-N 3.46Å; D542-R658 IonicContact OD2-NH1 3.91Å
543	L	71.9	Confident	67.1	Low	93 Å²	93	47.8 Å²	47.8	49%	0.487	25%	0.249	S	C	.	.	H	α-helix	trans	-60.8	-40.6	175.1	-172.9	69.6	0	0	0	112.4	A539 N547	A539-L543 VanDerWaalsContact O-CB 3.25Å; A539-L543 WeakPolarHBondContact O-CB 3.21Å; A539-L543 PolarHBondContact O-N 3.37Å; L543-N547 WeakPolarHBondContact CD1-ND2 3.3Å; L543-N547 VanDerWaalsContact O-CB 3.3Å; L543-N547 WeakPolarHBondContact O-CB 3.32Å; L543-N547 PolarHBondContact O-N 3.35Å; L543-N547 VanDerWaalsContact O-N 3.13Å; L543-N547 PolarHBondContact O-ND2 3.43Å
544	F	69	Low	66.8	Low	6 Å²	6	50 Å²	50	3%	0.026	27%	0.267	C	S	.	.	H	α-helix	trans	-63.4	-46.7	175.6	177.7	-101.7	0	0	0	111	C513 F516 S540 C541 D542 N547 V548 V662 C665 L666	C513-F544 HydrophobicContact CB-CE2 4.35Å; F516-F544 HydrophobicContact CB-CB 4.03Å; F516-F544 HydrophobicContact CB-CD2 3.48Å; F516-F544 VanDerWaalsContact CB-CD2 3.48Å; F516-F544 HydrophobicContact CB-CE2 4.25Å; F516-F544 HydrophobicContact CB-CG 3.99Å; F516-F544 HydrophobicContact CD1-CD2 4.05Å; F516-F544 HydrophobicContact CD1-CE2 4.39Å; F516-F544 HydrophobicContact CD1-CG 4.13Å; F516-F544 HydrophobicContact CD2-CB 3.56Å; F516-F544 HydrophobicContact CD2-CD2 4.38Å; F516-F544 HydrophobicContact CD2-CG 4.02Å; F516-F544 HydrophobicContact CE2-CB 4.15Å; F516-F544 HydrophobicContact CG-CB 3.79Å; F516-F544 AromaticContact CG-CD2 3.71Å; F516-F544 HydrophobicContact CG-CD2 3.71Å; F516-F544 HydrophobicContact CG-CE2 4.46Å; F516-F544 AromaticContact CG-CG 3.77Å; F516-F544 HydrophobicContact CG-CG 3.77Å; S540-F544 VanDerWaalsContact O-CB 3.31Å; S540-F544 WeakPolarHBondContact O-CB 3.45Å; S540-F544 PolarHBondContact O-N 3.06Å; C541-F544 PolarHBondContact O-N 2.79Å; D542-F544 VanDerWaalsContact C-N 3.34Å; D542-F544 PolarHBondContact O-N 2.97Å; F544-N547 PolarHBondContact O-N 2.83Å; F544-V548 HydrophobicContact CD2-CG2 3.76Å; F544-V548 HydrophobicContact CE1-CB 4.39Å; F544-V548 HydrophobicContact CE1-CG1 4.4Å; F544-V548 HydrophobicContact CE1-CG2 4.5Å; F544-V548 HydrophobicContact CE2-CB 4.2Å; F544-V548 HydrophobicContact CE2-CG1 4.44Å; F544-V548 HydrophobicContact CE2-CG2 3.47Å; F544-V548 VanDerWaalsContact CE2-CG2 3.47Å; F544-V548 HydrophobicContact CG-CG2 4.4Å; F544-V548 HydrophobicContact CZ-CB 4.13Å; F544-V548 HydrophobicContact CZ-CG1 4.01Å; F544-V548 HydrophobicContact CZ-CG2 3.88Å; F544-V548 VanDerWaalsContact O-CB 3.23Å; F544-V548 WeakPolarHBondContact O-CB 3.46Å; F544-V548 WeakPolarHBondContact O-CG2 3.47Å; F544-V548 PolarHBondContact O-N 3.17Å; F544-V662 HydrophobicContact CD1-CG1 3.75Å; F544-V662 HydrophobicContact CE1-CG1 3.93Å; F544-C665 HydrophobicContact CE1-CB 4.27Å; F544-L666 HydrophobicContact CE1-CD2 4.04Å; F544-L666 HydrophobicContact CE1-CG 4.08Å; F544-L666 HydrophobicContact CZ-CD2 3.62Å; F544-L666 HydrophobicContact CZ-CG 4.19Å
545	R	68.1	Low	66.5	Low	115 Å²	115	48.6 Å²	48.6	43%	0.434	26%	0.261	S	S	.	.	H	α-helix	trans	-59.5	-50.8	177.9	-174.1	-177.4	175.6	-170.5	-1.9	111	C541 D542 N547 V548 L549	C541-R545 WeakPolarHBondContact O-CB 3.22Å; C541-R545 PolarHBondContact O-N 3.31Å; D542-R545 WeakPolarHBondContact O-CB 3.44Å; D542-R545 PolarHBondContact O-N 2.86Å; R545-N547 PolarHBondContact O-N 3.44Å; R545-V548 PolarHBondContact O-N 2.83Å; R545-L549 HydrophobicContact CG-CB 4.37Å; R545-L549 HydrophobicContact CG-CD1 4.12Å; R545-L549 WeakPolarHBondContact O-CB 3.46Å; R545-L549 PolarHBondContact O-N 2.87Å
546	E	73.4	Confident	65.6	Low	138 Å²	138	47.4 Å²	47.4	65%	0.645	26%	0.257	S	S	*	.	H	α-helix	trans	-58.4	-34.7	179.4	-74.6	179.6	175.2	0	0	112.8	D542 P550	D542-E546 WeakPolarHBondContact O-CG 3.44Å; D542-E546 PolarHBondContact O-N 3.46Å; E546-P550 WeakPolarHBondContact O-CD 3.38Å; E546-P550 WeakPolarHBondContact O-CG 3.42Å
547	N	71.4	Confident	64.8	Low	47 Å²	47	44 Å²	44	25%	0.251	25%	0.247	S	C	.	.	H	α-helix	trans	-88.9	-26.6	-176.3	-79	-55.5	0	0	0	114.6	N512 L543 F544 R545 I551	N512-N547 HydrophobicContact CB-CB 4.38Å; N512-N547 WeakPolarHBondContact ND2-CB 3.46Å; N512-N547 PolarHBondContact ND2-O 3.07Å; L543-N547 WeakPolarHBondContact CD1-ND2 3.3Å; L543-N547 VanDerWaalsContact O-CB 3.3Å; L543-N547 WeakPolarHBondContact O-CB 3.32Å; L543-N547 PolarHBondContact O-N 3.35Å; L543-N547 VanDerWaalsContact O-N 3.13Å; L543-N547 PolarHBondContact O-ND2 3.43Å; F544-N547 PolarHBondContact O-N 2.83Å; R545-N547 PolarHBondContact O-N 3.44Å; N547-I551 WeakPolarHBondContact O-CD1 3.31Å
548	V	66.7	Low	64	Low	1 Å²	1	49 Å²	49	1%	0.006	27%	0.27	C	S	.	.	H	α-helix	trans	-104.4	-37.2	-172.6	172.2	0	0	0	0	112.7	L509 N512 F544 R545 I551 F552	L509-V548 HydrophobicContact CD1-CB 4.46Å; L509-V548 HydrophobicContact CD1-CG1 3.66Å; L509-V548 HydrophobicContact CD1-CG2 4.15Å; N512-V548 HydrophobicContact CB-CG2 3.59Å; F544-V548 HydrophobicContact CD2-CG2 3.76Å; F544-V548 HydrophobicContact CE1-CB 4.39Å; F544-V548 HydrophobicContact CE1-CG1 4.4Å; F544-V548 HydrophobicContact CE1-CG2 4.5Å; F544-V548 HydrophobicContact CE2-CB 4.2Å; F544-V548 HydrophobicContact CE2-CG1 4.44Å; F544-V548 HydrophobicContact CE2-CG2 3.47Å; F544-V548 VanDerWaalsContact CE2-CG2 3.47Å; F544-V548 HydrophobicContact CG-CG2 4.4Å; F544-V548 HydrophobicContact CZ-CB 4.13Å; F544-V548 HydrophobicContact CZ-CG1 4.01Å; F544-V548 HydrophobicContact CZ-CG2 3.88Å; F544-V548 VanDerWaalsContact O-CB 3.23Å; F544-V548 WeakPolarHBondContact O-CB 3.46Å; F544-V548 WeakPolarHBondContact O-CG2 3.47Å; F544-V548 PolarHBondContact O-N 3.17Å; R545-V548 PolarHBondContact O-N 2.83Å; V548-I551 WeakPolarHBondContact O-CB 3.34Å; V548-I551 PolarHBondContact O-N 3.22Å; V548-F552 HydrophobicContact CG1-CD2 3.61Å; V548-F552 HydrophobicContact CG1-CE2 3.16Å; V548-F552 HydrophobicContact CG1-CZ 4.07Å; V548-F552 PolarHBondContact O-N 2.94Å
549	L	65.1	Low	63	Low	48 Å²	48	54.4 Å²	54.4	25%	0.251	29%	0.293	S	S	.	.	H	α-helix	trans	-56.6	-43.1	179	-159	108.6	0	0	0	112	R545 I551 F552 H553	R545-L549 HydrophobicContact CG-CB 4.37Å; R545-L549 HydrophobicContact CG-CD1 4.12Å; R545-L549 WeakPolarHBondContact O-CB 3.46Å; R545-L549 PolarHBondContact O-N 2.87Å; L549-I551 VanDerWaalsContact C-N 3.26Å; L549-I551 PolarHBondContact O-N 3.29Å; L549-F552 PolarHBondContact O-N 2.66Å; L549-F552 VanDerWaalsContact O-N 3.08Å; L549-H553 WeakPolarHBondContact CD2-NE2 3.44Å; L549-H553 PolarHBondContact O-CD2 2.69Å; L549-H553 PolarHBondContact O-N 3.04Å
550	P	68.5	Low	61.2	Low	67 Å²	67	55.4 Å²	55.4	44%	0.435	29%	0.289	S	S	.	.	H	α-helix	trans	-62.5	-31	176.4	-24.3	36	0	0	0	113.9	E546 S554	E546-P550 WeakPolarHBondContact O-CD 3.38Å; E546-P550 WeakPolarHBondContact O-CG 3.42Å; P550-S554 WeakPolarHBondContact O-CB 3.32Å; P550-S554 PolarHBondContact O-N 3.49Å; P550-S554 PolarHBondContact O-OG 3.05Å
551	I	65.2	Low	59.4	Low	16 Å²	16	60.2 Å²	60.2	8%	0.082	32%	0.32	C	S	.	.	H	α-helix	trans	-66.6	-43.1	175.8	-57	176.3	0	0	0	109.2	W505 K508 L509 N547 V548 L549 S554 L555	W505-I551 HydrophobicContact CB-CG2 4.24Å; W505-I551 HydrophobicContact CD2-CG2 4.35Å; W505-I551 HydrophobicContact CE3-CG2 3.9Å; K508-I551 HydrophobicContact CB-CD1 4.33Å; K508-I551 HydrophobicContact CD-CD1 4.4Å; K508-I551 HydrophobicContact CG-CD1 4.17Å; L509-I551 HydrophobicContact CB-CD1 4.05Å; L509-I551 HydrophobicContact CD1-CD1 4.36Å; N547-I551 WeakPolarHBondContact O-CD1 3.31Å; V548-I551 WeakPolarHBondContact O-CB 3.34Å; V548-I551 PolarHBondContact O-N 3.22Å; L549-I551 VanDerWaalsContact C-N 3.26Å; L549-I551 PolarHBondContact O-N 3.29Å; I551-S554 PolarHBondContact O-N 3.05Å; I551-L555 HydrophobicContact CG2-CD1 4.08Å; I551-L555 WeakPolarHBondContact O-CG 3.31Å; I551-L555 PolarHBondContact O-N 3.08Å; I551-L555 VanDerWaalsContact O-N 3.11Å
552	F	58.8	Low	58.2	Low	22 Å²	22	65.4 Å²	65.4	10%	0.096	35%	0.352	C	S	.	.	H	α-helix	trans	-69.8	-40.4	177	-71.3	-53.6	0	0	0	113.4	L509 V548 L549 S554 L555 A556 A669 F672	L509-F552 HydrophobicContact CD1-CE2 4.38Å; L509-F552 HydrophobicContact CD1-CZ 4.03Å; V548-F552 HydrophobicContact CG1-CD2 3.61Å; V548-F552 HydrophobicContact CG1-CE2 3.16Å; V548-F552 HydrophobicContact CG1-CZ 4.07Å; V548-F552 PolarHBondContact O-N 2.94Å; L549-F552 PolarHBondContact O-N 2.66Å; L549-F552 VanDerWaalsContact O-N 3.08Å; F552-S554 VanDerWaalsContact C-N 3.29Å; F552-S554 PolarHBondContact O-N 3.07Å; F552-L555 HydrophobicContact CD1-CD1 4.34Å; F552-L555 PolarHBondContact O-N 2.83Å; F552-A556 WeakPolarHBondContact O-CB 3.4Å; F552-A556 PolarHBondContact O-N 2.85Å; F552-A669 HydrophobicContact CE1-CB 4.07Å; F552-A669 HydrophobicContact CE2-CB 3.85Å; F552-A669 VanDerWaalsContact CZ-CA 3.42Å; F552-A669 HydrophobicContact CZ-CB 3.24Å; F552-F672 HydrophobicContact CE1-CB 4.47Å
553	H	61.5	Low	56.3	Low	46 Å²	46	66.6 Å²	66.6	21%	0.213	37%	0.365	C	S	.	.	H	α-helix	trans	-58.7	-43.3	173.2	-77.9	-69.9	0	0	0	111.5	L549 L555 A556 A557	L549-H553 WeakPolarHBondContact CD2-NE2 3.44Å; L549-H553 PolarHBondContact O-CD2 2.69Å; L549-H553 PolarHBondContact O-N 3.04Å; H553-L555 VanDerWaalsContact C-N 3.32Å; H553-L555 PolarHBondContact O-N 2.96Å; H553-A556 PolarHBondContact O-N 3.4Å; H553-A557 WeakPolarHBondContact O-CB 3.23Å; H553-A557 PolarHBondContact O-N 3.34Å
554	S	60.6	Low	54.5	Low	66 Å²	66	68.1 Å²	68.1	46%	0.462	38%	0.38	S	S	.	.	H	α-helix	trans	-60.8	-40	176.3	-58	0	0	0	0	112.3	P550 I551 F552	P550-S554 WeakPolarHBondContact O-CB 3.32Å; P550-S554 PolarHBondContact O-N 3.49Å; P550-S554 PolarHBondContact O-OG 3.05Å; I551-S554 PolarHBondContact O-N 3.05Å; F552-S554 VanDerWaalsContact C-N 3.29Å; F552-S554 PolarHBondContact O-N 3.07Å
555	L	54.7	Low	52.8	Low	17 Å²	17	72.5 Å²	72.5	9%	0.089	41%	0.408	C	S	.	.	H	α-helix	trans	-74.9	-35.7	178.9	-73.5	165	0	0	0	113.1	W505 I551 F552 H553 E558 F672	W505-L555 HydrophobicContact CD2-CD1 4.48Å; W505-L555 HydrophobicContact CE3-CD1 4.3Å; W505-L555 HydrophobicContact CH2-CD1 4.11Å; W505-L555 HydrophobicContact CZ2-CD1 4.26Å; W505-L555 HydrophobicContact CZ2-CD2 3.93Å; W505-L555 HydrophobicContact CZ3-CD1 4.1Å; I551-L555 HydrophobicContact CG2-CD1 4.08Å; I551-L555 WeakPolarHBondContact O-CG 3.31Å; I551-L555 PolarHBondContact O-N 3.08Å; I551-L555 VanDerWaalsContact O-N 3.11Å; F552-L555 HydrophobicContact CD1-CD1 4.34Å; F552-L555 PolarHBondContact O-N 2.83Å; H553-L555 VanDerWaalsContact C-N 3.32Å; H553-L555 PolarHBondContact O-N 2.96Å; L555-E558 PolarHBondContact O-N 3.32Å; L555-F672 HydrophobicContact CB-CE2 4.1Å; L555-F672 HydrophobicContact CD1-CD2 4.47Å; L555-F672 HydrophobicContact CD1-CE1 4.3Å; L555-F672 HydrophobicContact CD1-CE2 4.01Å; L555-F672 HydrophobicContact CD1-CZ 3.93Å; L555-F672 HydrophobicContact CD2-CE2 4.01Å; L555-F672 HydrophobicContact CD2-CZ 3.84Å; L555-F672 HydrophobicContact CG-CE2 4.28Å; L555-F672 HydrophobicContact CG-CZ 4.38Å
556	A	49.8	Very low	51.5	Low	45 Å²	45	74 Å²	74	37%	0.372	42%	0.423	S	S	.	.	H	α-helix	trans	-68.2	-38.5	177.4	0	0	0	0	0	111.4	F552 H553 E558 K559 A584	F552-A556 WeakPolarHBondContact O-CB 3.4Å; F552-A556 PolarHBondContact O-N 2.85Å; H553-A556 PolarHBondContact O-N 3.4Å; A556-E558 PolarHBondContact O-N 2.84Å; A556-E558 VanDerWaalsContact O-N 3.16Å; A556-K559 PolarHBondContact O-N 2.77Å; A556-K559 VanDerWaalsContact O-N 3.17Å; A556-A584 HydrophobicContact CB-CB 4.37Å
557	A	51.9	Low	49.9	Very low	26 Å²	26	77.7 Å²	77.7	22%	0.215	44%	0.437	C	S	.	.	H	α-helix	trans	-59.4	-24.7	175.5	0	0	0	0	0	113.2	H553 R580	H553-A557 WeakPolarHBondContact O-CB 3.23Å; H553-A557 PolarHBondContact O-N 3.34Å; A557-R580 PolarHBondContact O-NH2 3.47Å
558	E	48.3	Very low	48.5	Very low	108 Å²	108	77.4 Å²	77.4	51%	0.505	44%	0.441	S	S	.	.	H	α-helix	trans	-78.6	-22.1	-179.6	-156.7	174.5	-158.7	0	0	113.4	L555 A556	L555-E558 PolarHBondContact O-N 3.32Å; A556-E558 PolarHBondContact O-N 2.84Å; A556-E558 VanDerWaalsContact O-N 3.16Å
559	K	41.2	Very low	47.7	Very low	137 Å²	137	83.2 Å²	83.2	60%	0.596	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-5.8	-179.5	-77.1	-168.9	178.8	177.5	0	115	A556	A556-K559 PolarHBondContact O-N 2.77Å; A556-K559 VanDerWaalsContact O-N 3.17Å
560	L	34.1	Very low	47	Very low	79 Å²	79	88.5 Å²	88.5	41%	0.414	50%	0.495	S	S	.	.	S	Bend	trans	-85	125.2	175.7	-88.4	143.4	0	0	0	110	V562 R580	L560-V562 PolarHBondContact O-N 3.41Å; L560-R580 HydrophobicContact CD1-CG 3.88Å; L560-R580 PolarHBondContact O-NH2 2.84Å
561	P	33	Very low	46.4	Very low	118 Å²	118	92.9 Å²	92.9	77%	0.766	51%	0.51	S	S	*	.			trans	-56.4	113	-175	22.5	-32	0	0	0	110.1	S563	P561-S563 PolarHBondContact O-N 3.4Å
562	V	39	Very low	45.6	Very low	114 Å²	114	97.4 Å²	97.4	69%	0.691	53%	0.531	S	S	*	.			trans	-71.4	100.2	167.9	-177.6	0	0	0	0	105.8	L560 P564	L560-V562 PolarHBondContact O-N 3.41Å; V562-P564 WeakPolarHBondContact O-CD 3.4Å
563	S	30.3	Very low	45.2	Very low	89 Å²	89	102.5 Å²	102.5	62%	0.622	56%	0.555	S	S	*	*			trans	-58.8	118.6	168.8	-164.6	0	0	0	0	107.4	P561 T565	P561-S563 PolarHBondContact O-N 3.4Å; S563-T565 PolarHBondContact O-N 2.82Å
564	P	33.8	Very low	44.9	Very low	125 Å²	125	105.2 Å²	105.2	81%	0.812	57%	0.571	S	S	*	*	S	Bend	trans	-78.7	22.7	-167.9	31.1	-34.1	0	0	0	113.9	V562	V562-P564 WeakPolarHBondContact O-CD 3.4Å
565	T	34	Very low	45.1	Very low	98 Å²	98	106 Å²	106	60%	0.601	57%	0.573	S	S	*	*			trans	-139.8	101.1	-178.5	38.5	0	0	0	0	107.9	S563	S563-T565 PolarHBondContact O-N 2.82Å
566	I	40.1	Very low	44.7	Very low	148 Å²	148	107.3 Å²	107.3	76%	0.759	59%	0.586	S	S	*	*			trans	176.3	122.2	132.7	-76.7	141.8	0	0	0	105.1	A568	I566-A568 VanDerWaalsContact C-N 3.31Å; I566-A568 HydrophobicContact CB-CB 4.43Å; I566-A568 HydrophobicContact CG2-CB 3.61Å; I566-A568 PolarHBondContact O-N 2.68Å
567	K	39.3	Very low	44.7	Very low	215 Å²	215	109.1 Å²	109.1	94%	0.935	59%	0.589	S	S	*	*			trans	-69.2	96.2	161.3	-72.3	177.8	175.7	-179.9	0	105.6
568	A	42	Very low	45.2	Very low	41 Å²	41	110.9 Å²	110.9	34%	0.339	60%	0.6	S	S	.	*			trans	-117.3	135.5	-171.7	0	0	0	0	0	109	I566 E572	I566-A568 VanDerWaalsContact C-N 3.31Å; I566-A568 HydrophobicContact CB-CB 4.43Å; I566-A568 HydrophobicContact CG2-CB 3.61Å; I566-A568 PolarHBondContact O-N 2.68Å; A568-E572 WeakPolarHBondContact CA-OE2 3.34Å; A568-E572 HydrophobicContact CB-CB 3.98Å; A568-E572 WeakPolarHBondContact CB-OE2 3.46Å
569	N	51.6	Low	45.3	Very low	122 Å²	122	111.7 Å²	111.7	65%	0.652	60%	0.603	S	S	*	*			trans	-63	162.4	-169.8	-64.7	-26.8	0	0	0	112.9	E571 E572 Q573	N569-E571 PolarHBondContact O-N 2.88Å; N569-E571 VanDerWaalsContact O-N 3.08Å; N569-E572 PolarHBondContact N-OE2 3.01Å; N569-E572 PolarHBondContact O-N 2.78Å; N569-Q573 PolarHBondContact O-N 3.07Å; N569-Q573 VanDerWaalsContact O-N 3.17Å
570	E	50	Low	45.5	Very low	159 Å²	159	108.6 Å²	108.6	74%	0.743	59%	0.588	S	S	*	*	H	α-helix	trans	-51.9	-32.6	179.9	-74.6	-179.2	155	0	0	113.6	Q573 N574	E570-Q573 WeakPolarHBondContact O-CB 3.29Å; E570-Q573 PolarHBondContact O-N 3.04Å; E570-N574 PolarHBondContact O-N 3.4Å; E570-N574 PolarHBondContact O-ND2 2.91Å
571	E	55.2	Low	46.3	Very low	159 Å²	159	110 Å²	110	74%	0.743	59%	0.593	S	S	*	*	H	α-helix	trans	-64.6	-42	174	-77.6	178.5	151.7	0	0	112.8	N569 Q573 N574 V575	N569-E571 PolarHBondContact O-N 2.88Å; N569-E571 VanDerWaalsContact O-N 3.08Å; E571-Q573 VanDerWaalsContact C-N 3.29Å; E571-Q573 PolarHBondContact O-N 2.76Å; E571-N574 PolarHBondContact O-N 3.32Å; E571-V575 WeakPolarHBondContact O-CG2 3.36Å; E571-V575 PolarHBondContact O-N 3.33Å
572	E	47.7	Very low	47.3	Very low	111 Å²	111	110.6 Å²	110.6	52%	0.519	59%	0.585	S	S	.	*	H	α-helix	trans	-69.8	-29.7	177.1	-73.4	176.8	145.6	0	0	111.4	A568 N569 A576	A568-E572 WeakPolarHBondContact CA-OE2 3.34Å; A568-E572 HydrophobicContact CB-CB 3.98Å; A568-E572 WeakPolarHBondContact CB-OE2 3.46Å; N569-E572 PolarHBondContact N-OE2 3.01Å; N569-E572 PolarHBondContact O-N 2.78Å; E572-A576 VanDerWaalsContact O-CB 3.26Å; E572-A576 WeakPolarHBondContact O-CB 3.4Å; E572-A576 PolarHBondContact O-N 3.06Å
573	Q	50.6	Low	47.5	Very low	129 Å²	129	107.1 Å²	107.1	60%	0.603	57%	0.568	S	S	*	*	H	α-helix	trans	-65.2	-43	170	-110.8	-178.8	-0.3	0	0	112.1	N569 E570 E571 A576 L577	N569-Q573 PolarHBondContact O-N 3.07Å; N569-Q573 VanDerWaalsContact O-N 3.17Å; E570-Q573 WeakPolarHBondContact O-CB 3.29Å; E570-Q573 PolarHBondContact O-N 3.04Å; E571-Q573 VanDerWaalsContact C-N 3.29Å; E571-Q573 PolarHBondContact O-N 2.76Å; Q573-A576 PolarHBondContact O-N 2.9Å; Q573-L577 WeakPolarHBondContact O-CB 3.35Å; Q573-L577 VanDerWaalsContact O-CG 3.26Å; Q573-L577 WeakPolarHBondContact O-CG 3.22Å; Q573-L577 PolarHBondContact O-N 2.93Å
574	N	56.5	Low	48	Very low	104 Å²	104	103.9 Å²	103.9	56%	0.556	55%	0.547	S	S	*	.	H	α-helix	trans	-68.9	-38.4	178.3	-71.5	-25.7	0	0	0	112.2	E570 E571 L577 S578	E570-N574 PolarHBondContact O-N 3.4Å; E570-N574 PolarHBondContact O-ND2 2.91Å; E571-N574 PolarHBondContact O-N 3.32Å; N574-L577 PolarHBondContact O-N 2.97Å; N574-S578 PolarHBondContact O-N 3.37Å
575	V	63.1	Low	48.6	Very low	82 Å²	82	102.7 Å²	102.7	50%	0.497	53%	0.531	S	S	.	.	H	α-helix	trans	-63.2	-46.8	172.7	174.4	0	0	0	0	110.4	E571 L577 S578 E579	E571-V575 WeakPolarHBondContact O-CG2 3.36Å; E571-V575 PolarHBondContact O-N 3.33Å; V575-L577 VanDerWaalsContact C-N 3.28Å; V575-L577 PolarHBondContact O-N 3.31Å; V575-S578 PolarHBondContact O-N 2.85Å; V575-E579 HydrophobicContact CG1-CG 4.36Å; V575-E579 WeakPolarHBondContact O-CB 3.44Å; V575-E579 WeakPolarHBondContact O-CG 3.18Å; V575-E579 PolarHBondContact O-N 2.91Å
576	A	47.1	Very low	49.1	Very low	44 Å²	44	101.3 Å²	101.3	36%	0.364	53%	0.525	S	S	.	.	H	α-helix	trans	-64.3	-30.1	177.6	0	0	0	0	0	113.3	E572 Q573 R580	E572-A576 VanDerWaalsContact O-CB 3.26Å; E572-A576 WeakPolarHBondContact O-CB 3.4Å; E572-A576 PolarHBondContact O-N 3.06Å; Q573-A576 PolarHBondContact O-N 2.9Å; A576-R580 VanDerWaalsContact O-CB 3.25Å; A576-R580 WeakPolarHBondContact O-CB 3.26Å; A576-R580 VanDerWaalsContact O-CG 3.24Å; A576-R580 WeakPolarHBondContact O-CG 3.22Å; A576-R580 PolarHBondContact O-N 3.39Å
577	L	50.2	Low	49	Very low	83 Å²	83	103 Å²	103	44%	0.435	52%	0.523	S	S	.	.	H	α-helix	trans	-71	-43.4	172.6	-75.6	169.8	0	0	0	111.7	Q573 N574 V575 R580 E581	Q573-L577 WeakPolarHBondContact O-CB 3.35Å; Q573-L577 VanDerWaalsContact O-CG 3.26Å; Q573-L577 WeakPolarHBondContact O-CG 3.22Å; Q573-L577 PolarHBondContact O-N 2.93Å; N574-L577 PolarHBondContact O-N 2.97Å; V575-L577 VanDerWaalsContact C-N 3.28Å; V575-L577 PolarHBondContact O-N 3.31Å; L577-R580 WeakPolarHBondContact O-CB 3.33Å; L577-R580 PolarHBondContact O-N 2.85Å; L577-E581 PolarHBondContact O-N 2.74Å
578	S	62.6	Low	48.9	Very low	64 Å²	64	94.5 Å²	94.5	45%	0.448	49%	0.493	S	S	.	.	H	α-helix	trans	-66.3	-41.1	177.1	-168.7	0	0	0	0	112.1	N574 V575 R580 E581 Q582	N574-S578 PolarHBondContact O-N 3.37Å; V575-S578 PolarHBondContact O-N 2.85Å; S578-R580 VanDerWaalsContact C-N 3.3Å; S578-R580 PolarHBondContact O-N 3.4Å; S578-E581 PolarHBondContact O-N 3.46Å; S578-Q582 PolarHBondContact O-N 3.23Å
579	E	50.1	Low	48.7	Very low	124 Å²	124	99.3 Å²	99.3	58%	0.579	51%	0.509	S	S	*	.	H	α-helix	trans	-63.5	-35.7	171.9	-72.4	-179.2	171.5	0	0	111.8	V575 A583	V575-E579 HydrophobicContact CG1-CG 4.36Å; V575-E579 WeakPolarHBondContact O-CB 3.44Å; V575-E579 WeakPolarHBondContact O-CG 3.18Å; V575-E579 PolarHBondContact O-N 2.91Å; E579-A583 VanDerWaalsContact O-CB 3.26Å; E579-A583 WeakPolarHBondContact O-CB 3.44Å; E579-A583 PolarHBondContact O-N 3.19Å
580	R	45.2	Very low	47.9	Very low	72 Å²	72	96.7 Å²	96.7	27%	0.272	51%	0.511	S	S	.	.	H	α-helix	trans	-67.7	-39.3	174.2	-90.2	174.9	166.6	-178.2	-5.1	112.8	A557 L560 A576 L577 S578 A583 A584	A557-R580 PolarHBondContact O-NH2 3.47Å; L560-R580 HydrophobicContact CD1-CG 3.88Å; L560-R580 PolarHBondContact O-NH2 2.84Å; A576-R580 VanDerWaalsContact O-CB 3.25Å; A576-R580 WeakPolarHBondContact O-CB 3.26Å; A576-R580 VanDerWaalsContact O-CG 3.24Å; A576-R580 WeakPolarHBondContact O-CG 3.22Å; A576-R580 PolarHBondContact O-N 3.39Å; L577-R580 WeakPolarHBondContact O-CB 3.33Å; L577-R580 PolarHBondContact O-N 2.85Å; S578-R580 VanDerWaalsContact C-N 3.3Å; S578-R580 PolarHBondContact O-N 3.4Å; R580-A583 PolarHBondContact O-N 2.9Å; R580-A584 WeakPolarHBondContact O-CB 3.17Å; R580-A584 PolarHBondContact O-N 2.94Å
581	E	50.2	Low	47.5	Very low	109 Å²	109	97.6 Å²	97.6	51%	0.509	51%	0.512	S	S	.	.	H	α-helix	trans	-65	-47.7	174.2	-77.2	176.4	166.1	0	0	110.6	L577 S578 A583 A584 E585	L577-E581 PolarHBondContact O-N 2.74Å; S578-E581 PolarHBondContact O-N 3.46Å; E581-A583 VanDerWaalsContact C-N 3.31Å; E581-A583 PolarHBondContact O-N 3.08Å; E581-A584 PolarHBondContact O-N 2.88Å; E581-A584 VanDerWaalsContact O-N 3.14Å; E581-E585 WeakPolarHBondContact O-CG 3.5Å; E581-E585 PolarHBondContact O-N 2.74Å
582	Q	54	Low	46.4	Very low	130 Å²	130	95.1 Å²	95.1	61%	0.607	50%	0.503	S	S	*	.	H	α-helix	trans	-60.2	-37.4	173	-86.9	-173.1	-6.8	0	0	113	S578 S586	S578-Q582 PolarHBondContact O-N 3.23Å; Q582-S586 VanDerWaalsContact O-CB 3.26Å; Q582-S586 WeakPolarHBondContact O-CB 3.45Å; Q582-S586 PolarHBondContact O-N 3.11Å; Q582-S586 PolarHBondContact O-OG 3.34Å
583	A	43	Very low	45.5	Very low	41 Å²	41	95.4 Å²	95.4	34%	0.339	52%	0.517	S	S	.	.	H	α-helix	trans	-68	-36.8	176.2	0	0	0	0	0	112.2	E579 R580 E581 S586 Y587	E579-A583 VanDerWaalsContact O-CB 3.26Å; E579-A583 WeakPolarHBondContact O-CB 3.44Å; E579-A583 PolarHBondContact O-N 3.19Å; R580-A583 PolarHBondContact O-N 2.9Å; E581-A583 VanDerWaalsContact C-N 3.31Å; E581-A583 PolarHBondContact O-N 3.08Å; A583-S586 VanDerWaalsContact CA-OG 3.29Å; A583-S586 WeakPolarHBondContact CA-OG 3.34Å; A583-S586 PolarHBondContact O-OG 3.41Å; A583-S586 VanDerWaalsContact O-OG 3.07Å; A583-Y587 WeakPolarHBondContact O-CB 3.37Å; A583-Y587 PolarHBondContact O-N 3.47Å
584	A	40.9	Very low	44.5	Very low	22 Å²	22	94.2 Å²	94.2	18%	0.182	52%	0.523	C	S	.	.	H	α-helix	trans	-71.4	-40.1	175.6	0	0	0	0	0	111.9	A556 R580 E581 Y587 A588	A556-A584 HydrophobicContact CB-CB 4.37Å; R580-A584 WeakPolarHBondContact O-CB 3.17Å; R580-A584 PolarHBondContact O-N 2.94Å; E581-A584 PolarHBondContact O-N 2.88Å; E581-A584 VanDerWaalsContact O-N 3.14Å; A584-Y587 PolarHBondContact O-N 3.36Å; A584-A588 PolarHBondContact O-N 3.4Å; A584-A588 VanDerWaalsContact O-N 3.09Å
585	E	46.5	Very low	43.4	Very low	100 Å²	100	95.5 Å²	95.5	47%	0.467	53%	0.534	S	S	.	.	H	α-helix	trans	-65	-46.3	174	-73	179.1	162.9	0	0	111.4	E581 Y587 A588 E589	E581-E585 WeakPolarHBondContact O-CG 3.5Å; E581-E585 PolarHBondContact O-N 2.74Å; E585-Y587 VanDerWaalsContact C-N 3.31Å; E585-Y587 PolarHBondContact O-N 2.89Å; E585-A588 CarbonylContact O-C 3.59Å; E585-A588 WeakPolarHBondContact O-CA 3.36Å; E585-A588 WeakPolarHBondContact O-CB 3.31Å; E585-A588 PolarHBondContact O-N 3.47Å; E585-E589 WeakPolarHBondContact O-CB 3.35Å; E585-E589 WeakPolarHBondContact O-CG 3.45Å; E585-E589 PolarHBondContact O-N 2.92Å
586	S	46.2	Very low	41.9	Very low	69 Å²	69	96 Å²	96	48%	0.483	54%	0.542	S	S	.	.	H	α-helix	trans	-65.9	-29.1	176.3	55.3	0	0	0	0	113.6	Q582 A583 G590	Q582-S586 VanDerWaalsContact O-CB 3.26Å; Q582-S586 WeakPolarHBondContact O-CB 3.45Å; Q582-S586 PolarHBondContact O-N 3.11Å; Q582-S586 PolarHBondContact O-OG 3.34Å; A583-S586 VanDerWaalsContact CA-OG 3.29Å; A583-S586 WeakPolarHBondContact CA-OG 3.34Å; A583-S586 PolarHBondContact O-OG 3.41Å; A583-S586 VanDerWaalsContact O-OG 3.07Å; S586-G590 WeakPolarHBondContact O-CA 3.49Å; S586-G590 PolarHBondContact O-N 2.9Å
587	Y	37.9	Very low	41	Very low	183 Å²	183	101.3 Å²	101.3	72%	0.718	56%	0.564	S	S	*	*	H	α-helix	trans	-72.2	-32	171.4	-162.5	-92.2	0	0	0	112.3	A583 A584 E585	A583-Y587 WeakPolarHBondContact O-CB 3.37Å; A583-Y587 PolarHBondContact O-N 3.47Å; A584-Y587 PolarHBondContact O-N 3.36Å; E585-Y587 VanDerWaalsContact C-N 3.31Å; E585-Y587 PolarHBondContact O-N 2.89Å
588	A	36.9	Very low	40.2	Very low	37 Å²	37	103.7 Å²	103.7	31%	0.306	58%	0.582	S	S	.	*	H	α-helix	trans	-73.6	-36.1	173.3	0	0	0	0	0	112.2	A584 E585 L668	A584-A588 PolarHBondContact O-N 3.4Å; A584-A588 VanDerWaalsContact O-N 3.09Å; E585-A588 CarbonylContact O-C 3.59Å; E585-A588 WeakPolarHBondContact O-CA 3.36Å; E585-A588 WeakPolarHBondContact O-CB 3.31Å; E585-A588 PolarHBondContact O-N 3.47Å; A588-L668 HydrophobicContact CB-CD1 4.48Å
589	E	37.2	Very low	38.5	Very low	141 Å²	141	107.7 Å²	107.7	66%	0.659	60%	0.598	S	S	*	*	H	α-helix	trans	-84.1	-27.8	-180	-69	-179.7	165.7	0	0	113.2	E585 K591 I592	E585-E589 WeakPolarHBondContact O-CB 3.35Å; E585-E589 WeakPolarHBondContact O-CG 3.45Å; E585-E589 PolarHBondContact O-N 2.92Å; E589-K591 PolarHBondContact O-N 3.41Å; E589-K591 VanDerWaalsContact O-N 3.08Å; E589-I592 CarbonylContact O-C 3.56Å; E589-I592 PolarHBondContact O-N 3.42Å
590	G	34.6	Very low	37.6	Very low	68 Å²	68	107.6 Å²	107.6	70%	0.701	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	-7.2	-173.9	0	0	0	0	0	116.7	S586	S586-G590 WeakPolarHBondContact O-CA 3.49Å; S586-G590 PolarHBondContact O-N 2.9Å
591	K	41.1	Very low	36.7	Very low	178 Å²	178	109 Å²	109	77%	0.774	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.5	1.1	170.2	-96.7	-178.1	179.3	175.5	0	113.7	E589	E589-K591 PolarHBondContact O-N 3.41Å; E589-K591 VanDerWaalsContact O-N 3.08Å
592	I	32	Very low	35.8	Very low	106 Å²	106	112.7 Å²	112.7	54%	0.544	65%	0.649	S	S	.	*			trans	-126.6	64.7	-175.8	-46	176.2	0	0	0	109	E589 P664	E589-I592 CarbonylContact O-C 3.56Å; E589-I592 PolarHBondContact O-N 3.42Å; I592-P664 HydrophobicContact CD1-CB 4.49Å; I592-P664 HydrophobicContact CD1-CG 3.91Å
593	S	29.6	Very low	34.5	Very low	117 Å²	117	115.1 Å²	115.1	82%	0.818	66%	0.661	S	S	*	*			trans	-78.1	121.9	154.7	62.7	0	0	0	0	106.5
594	S	30.2	Very low	33.9	Very low	105 Å²	105	120 Å²	120	73%	0.734	69%	0.686	S	S	*	*			cis	-156.9	149.1	34.7	48.6	0	0	0	0	109.5
595	V	31.8	Very low	33.2	Very low	130 Å²	130	123.3 Å²	123.3	79%	0.788	71%	0.709	S	S	*	*			trans	162.8	98.4	136.5	166.5	0	0	0	0	108.8
596	S	32.8	Very low	32.4	Very low	93 Å²	93	126.7 Å²	126.7	65%	0.65	72%	0.724	S	S	*	*			trans	7.3	124	152.4	56.9	0	0	0	0	121.3
597	N	28.9	Very low	31.5	Very low	155 Å²	155	131.8 Å²	131.8	83%	0.829	74%	0.74	S	S	*	*				48.3	124.9	126.8	-60.2	-8.1	0	0	0	119.4
598	V	32.1	Very low	31	Very low	134 Å²	134	131.3 Å²	131.3	81%	0.812	74%	0.744	S	S	*	*				-178.2	127.7	99	160.5	0	0	0	0	110
599	N	27.3	Very low	30.6	Very low	147 Å²	147	136.1 Å²	136.1	79%	0.786	77%	0.769	S	S	*	*			trans	-24.6	141.7	167.3	-52.5	-19.6	0	0	0	118.7
600	S	30.5	Very low	30.1	Very low	122 Å²	122	136.7 Å²	136.7	85%	0.853	77%	0.772	S	S	*	*				-175	129.9	114.3	33.2	0	0	0	0	111.5
601	S	26.9	Very low	29.8	Very low	103 Å²	103	137.6 Å²	137.6	72%	0.72	77%	0.765	S	S	*	*			trans	-71.7	146.9	169.6	50.2	0	0	0	0	111.4
602	E	31.1	Very low	29.2	Very low	185 Å²	185	138.8 Å²	138.8	86%	0.864	77%	0.771	S	S	*	*				-174.7	140	110.5	-101.3	173.7	-174.3	0	0	112.3
603	E	26.7	Very low	29	Very low	181 Å²	181	137.9 Å²	137.9	85%	0.846	77%	0.774	S	S	*	*			trans	-41.9	141.1	176	-65.2	163.3	153.2	0	0	115.8
604	T	30.5	Very low	29.2	Very low	143 Å²	143	134.4 Å²	134.4	88%	0.877	75%	0.748	S	S	*	*				-159.7	121.2	127.2	5.8	0	0	0	0	111.7
605	S	26.8	Very low	29.1	Very low	93 Å²	93	135.9 Å²	135.9	65%	0.65	75%	0.753	S	S	*	*			trans	-50.2	142.1	171.7	54.4	0	0	0	0	113.9
606	H	28.3	Very low	29	Very low	171 Å²	171	131.8 Å²	131.8	79%	0.792	73%	0.733	S	S	*	*			trans	-166.9	117.5	131.4	-90.3	-48.1	0	0	0	112.9
607	H	28.3	Very low	28.7	Very low	175 Å²	175	133 Å²	133	81%	0.81	75%	0.749	S	S	*	*			trans	45.2	96.3	154.6	-65.1	-60.4	0	0	0	120.8
608	Q	27.6	Very low	28.9	Very low	173 Å²	173	129.5 Å²	129.5	81%	0.808	73%	0.733	S	S	*	*			trans	-56.4	127.9	158.8	-76	175.8	-11.5	0	0	112.8
609	V	27.2	Very low	28.7	Very low	139 Å²	139	127.6 Å²	127.6	84%	0.842	73%	0.731	S	S	*	*			trans	-103.4	95	150.5	178	0	0	0	0	106.5	P611	V609-P611 WeakPolarHBondContact O-CD 3.25Å
610	Q	27.1	Very low	29.3	Very low	153 Å²	153	124.1 Å²	124.1	72%	0.715	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-63.1	122.1	171.5	-95.4	-173.8	-8.3	0	0	109.9	K612	Q610-K612 PolarHBondContact O-N 3.05Å
611	P	28.4	Very low	29.8	Very low	86 Å²	86	123.5 Å²	123.5	56%	0.558	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-73	122.5	163.3	14.9	-3.2	0	0	0	108.6	V609 S613	V609-P611 WeakPolarHBondContact O-CD 3.25Å; P611-S613 PolarHBondContact O-N 3.33Å
612	K	28.9	Very low	30.5	Very low	204 Å²	204	119.9 Å²	119.9	89%	0.887	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-52.4	125.4	171.6	-74.3	178.5	175.8	177.4	0	110.2	Q610	Q610-K612 PolarHBondContact O-N 3.05Å
613	S	28.3	Very low	31.2	Very low	86 Å²	86	120.9 Å²	120.9	60%	0.601	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-54.5	127.1	175.9	56	0	0	0	0	112.6	P611 T615	P611-S613 PolarHBondContact O-N 3.33Å; S613-T615 PolarHBondContact O-N 2.8Å
614	P	33.1	Very low	32	Very low	44 Å²	44	120 Å²	120	29%	0.286	65%	0.654	S	S	.	*			trans	-84.5	86.9	165.3	32.4	-26.5	0	0	0	108.9	A616	P614-A616 HydrophobicContact CB-CB 4.16Å; P614-A616 PolarHBondContact O-N 2.85Å
615	T	27.6	Very low	32.9	Very low	136 Å²	136	113.5 Å²	113.5	83%	0.834	62%	0.617	S	S	*	*			trans	-64.4	83.7	159.6	-7.7	0	0	0	0	107.3	S613	S613-T615 PolarHBondContact O-N 2.8Å
616	A	29.9	Very low	34.3	Very low	44 Å²	44	110.3 Å²	110.3	36%	0.364	59%	0.594	S	S	.	*			trans	-147.2	83.7	-166.3	0	0	0	0	0	111	P614 V618	P614-A616 HydrophobicContact CB-CB 4.16Å; P614-A616 PolarHBondContact O-N 2.85Å; A616-V618 HydrophobicContact CB-CB 3.81Å; A616-V618 HydrophobicContact CB-CG2 3.42Å; A616-V618 VanDerWaalsContact CB-CG2 3.42Å; A616-V618 PolarHBondContact O-N 3.19Å
617	A	27.5	Very low	35.6	Very low	119 Å²	119	107.3 Å²	107.3	98%	0.983	58%	0.58	S	S	*	*			trans	-60.2	35	143.9	0	0	0	0	0	112
618	V	32	Very low	36.7	Very low	82 Å²	82	100.4 Å²	100.4	50%	0.497	55%	0.549	S	S	.	.			trans	-85.8	127	-173.4	175.2	0	0	0	0	107.6	A616 F620	A616-V618 HydrophobicContact CB-CB 3.81Å; A616-V618 HydrophobicContact CB-CG2 3.42Å; A616-V618 VanDerWaalsContact CB-CG2 3.42Å; A616-V618 PolarHBondContact O-N 3.19Å; V618-F620 PolarHBondContact O-N 3.33Å
619	A	29.2	Very low	38.1	Very low	94 Å²	94	92.4 Å²	92.4	78%	0.777	51%	0.512	S	S	*	.			trans	-41.2	100.2	-176.2	0	0	0	0	0	112.7	D621	A619-D621 PolarHBondContact O-N 3.14Å
620	F	38.8	Very low	39.6	Very low	73 Å²	73	90.6 Å²	90.6	32%	0.32	49%	0.493	S	S	.	.			trans	-58.6	125.5	161.5	-90.7	-92.3	0	0	0	107.8	F503 V618 L622 M680	F503-F620 AromaticContact CE2-CE1 3.9Å; F503-F620 HydrophobicContact CE2-CE1 3.9Å; F503-F620 HydrophobicContact CE2-CE2 4.28Å; F503-F620 AromaticContact CE2-CZ 3.52Å; F503-F620 HydrophobicContact CE2-CZ 3.52Å; F503-F620 HydrophobicContact CZ-CE1 4.23Å; F503-F620 AromaticContact CZ-CE2 3.87Å; F503-F620 HydrophobicContact CZ-CE2 3.87Å; F503-F620 AromaticContact CZ-CZ 3.37Å; F503-F620 HydrophobicContact CZ-CZ 3.37Å; V618-F620 PolarHBondContact O-N 3.33Å; F620-L622 HydrophobicContact CB-CD2 4.05Å; F620-L622 HydrophobicContact CB-CG 4.12Å; F620-L622 PolarHBondContact O-N 3.12Å; F620-M680 HydrophobicContact CD1-CE 3.42Å; F620-M680 VanDerWaalsContact CD1-CE 3.42Å; F620-M680 HydrophobicContact CD1-SD 4.37Å; F620-M680 HydrophobicContact CE1-CE 3.68Å; F620-M680 HydrophobicContact CE1-SD 4.07Å; F620-M680 HydrophobicContact CG-CE 4.18Å
621	D	40.9	Very low	41	Very low	109 Å²	109	86.5 Å²	86.5	58%	0.583	48%	0.476	S	S	*	.			trans	-71	88.2	155.4	-163.6	-9.3	0	0	0	107.2	A619 R623 Y624 G625	A619-D621 PolarHBondContact O-N 3.14Å; D621-R623 PolarHBondContact O-N 2.71Å; D621-Y624 PolarHBondContact O-N 3.47Å; D621-G625 PolarHBondContact O-N 2.81Å
622	L	43.3	Very low	42.4	Very low	28 Å²	28	83 Å²	83	15%	0.147	45%	0.452	C	S	.	.	H	α-helix	trans	-56.5	-17.1	-166.5	-75.2	158.5	0	0	0	113.9	F620 S626 M680 V683 R684	F620-L622 HydrophobicContact CB-CD2 4.05Å; F620-L622 HydrophobicContact CB-CG 4.12Å; F620-L622 PolarHBondContact O-N 3.12Å; L622-S626 PolarHBondContact O-OG 3.1Å; L622-M680 HydrophobicContact CD2-CB 4.48Å; L622-M680 HydrophobicContact CD2-CE 4.48Å; L622-V683 HydrophobicContact CD1-CG1 4.37Å; L622-V683 HydrophobicContact CD2-CG1 4.36Å; L622-R684 HydrophobicContact CD1-CB 4.39Å; L622-R684 HydrophobicContact CD1-CG 4.5Å
623	R	45	Very low	44	Very low	206 Å²	206	74.1 Å²	74.1	78%	0.777	41%	0.414	S	S	*	.	H	α-helix	trans	-79.1	-39.6	-176.8	-60.7	-173.1	-155.2	-176.5	6.8	113.5	D621	D621-R623 PolarHBondContact O-N 2.71Å
624	Y	43.9	Very low	45.6	Very low	161 Å²	161	72.2 Å²	72.2	63%	0.631	40%	0.401	S	S	*	.	H	α-helix	trans	-89.9	-36.1	-176.3	-68.6	-78.6	0	0	0	111.9	D621 S626 M628	D621-Y624 PolarHBondContact O-N 3.47Å; Y624-S626 PolarHBondContact O-N 2.85Å; Y624-M628 WeakPolarHBondContact O-CG 3.32Å; Y624-M628 PolarHBondContact O-N 3.37Å
625	G	49.8	Very low	46.7	Very low	8 Å²	8	72 Å²	72	8%	0.082	40%	0.396	C	S	.	.	H	α-helix	trans	-64.7	-39.2	179.9	0	0	0	0	0	113.4	D621 Q627 M628 V629	D621-G625 PolarHBondContact O-N 2.81Å; G625-Q627 PolarHBondContact O-N 3.43Å; G625-M628 PolarHBondContact O-N 3.48Å; G625-V629 VanDerWaalsContact O-CG2 3.29Å; G625-V629 WeakPolarHBondContact O-CG2 3.41Å; G625-V629 PolarHBondContact O-N 3.4Å
626	S	56.3	Low	48.2	Very low	26 Å²	26	65.9 Å²	65.9	18%	0.182	36%	0.358	C	S	.	.	H	α-helix	trans	-65.9	-40.4	-178.2	64.2	0	0	0	0	112.6	L622 Y624 F630	L622-S626 PolarHBondContact O-OG 3.1Å; Y624-S626 PolarHBondContact O-N 2.85Å; S626-F630 VanDerWaalsContact O-CB 3.25Å; S626-F630 WeakPolarHBondContact O-CB 3.44Å; S626-F630 PolarHBondContact O-N 2.94Å
627	Q	53.9	Low	49.8	Very low	107 Å²	107	67.9 Å²	67.9	50%	0.5	36%	0.358	S	S	.	.	H	α-helix	trans	-65.7	-40.9	178.2	-173.6	62.2	40.2	0	0	111.1	G625 F630 N631	G625-Q627 PolarHBondContact O-N 3.43Å; Q627-F630 PolarHBondContact O-N 2.95Å; Q627-N631 PolarHBondContact NE2-OD1 2.79Å; Q627-N631 VanDerWaalsContact O-CG 3.24Å; Q627-N631 PolarHBondContact O-N 3.05Å; Q627-N631 PolarHBondContact O-OD1 2.83Å
628	M	52.7	Low	51.4	Low	31 Å²	31	66.1 Å²	66.1	15%	0.153	33%	0.327	C	S	.	.	H	α-helix	trans	-70.3	-40.9	179.9	-68.3	-174.4	170.6	0	0	112.3	W495 M499 Y624 G625 F630 N631 L632	W495-M628 HydrophobicContact CE3-SD 4.21Å; W495-M628 HydrophobicContact CZ3-CB 3.91Å; W495-M628 HydrophobicContact CZ3-SD 4.44Å; M499-M628 HydrophobicContact CE-CB 4.44Å; M499-M628 HydrophobicContact SD-CB 4.31Å; M499-M628 HydrophobicContact SD-SD 3.86Å; Y624-M628 WeakPolarHBondContact O-CG 3.32Å; Y624-M628 PolarHBondContact O-N 3.37Å; G625-M628 PolarHBondContact O-N 3.48Å; M628-F630 VanDerWaalsContact C-N 3.3Å; M628-F630 PolarHBondContact O-N 3.41Å; M628-N631 PolarHBondContact O-N 2.88Å; M628-L632 PolarHBondContact O-N 2.9Å
629	V	56.4	Low	52.5	Low	4 Å²	4	62.3 Å²	62.3	2%	0.024	30%	0.304	C	S	.	.	H	α-helix	trans	-65.7	-35.9	173.9	-179.8	0	0	0	0	110.8	M499 G625 L632 H633 A673 L676 L677 M680	M499-V629 HydrophobicContact CE-CG2 4.07Å; G625-V629 VanDerWaalsContact O-CG2 3.29Å; G625-V629 WeakPolarHBondContact O-CG2 3.41Å; G625-V629 PolarHBondContact O-N 3.4Å; V629-L632 PolarHBondContact O-N 2.98Å; V629-H633 WeakPolarHBondContact O-CB 3.48Å; V629-H633 PolarHBondContact O-N 3.39Å; V629-A673 HydrophobicContact CG1-CB 4.45Å; V629-L676 HydrophobicContact CG1-CB 4.36Å; V629-L676 HydrophobicContact CG1-CD2 3.9Å; V629-L676 HydrophobicContact CG1-CG 4.34Å; V629-L676 HydrophobicContact CG2-CD2 3.76Å; V629-L677 HydrophobicContact CB-CD2 3.94Å; V629-L677 HydrophobicContact CB-CG 4.3Å; V629-L677 HydrophobicContact CG1-CD1 4.33Å; V629-L677 HydrophobicContact CG1-CD2 3.89Å; V629-L677 HydrophobicContact CG1-CG 3.67Å; V629-M680 HydrophobicContact CG2-SD 4.14Å
630	F	58.7	Low	54.1	Low	102 Å²	102	58.1 Å²	58.1	45%	0.447	27%	0.268	S	S	.	.	H	α-helix	trans	-64.3	-40.7	173.9	179.5	-94.5	0	0	0	112.3	S626 Q627 M628 H633 S634 L677	S626-F630 VanDerWaalsContact O-CB 3.25Å; S626-F630 WeakPolarHBondContact O-CB 3.44Å; S626-F630 PolarHBondContact O-N 2.94Å; Q627-F630 PolarHBondContact O-N 2.95Å; M628-F630 VanDerWaalsContact C-N 3.3Å; M628-F630 PolarHBondContact O-N 3.41Å; F630-H633 PolarHBondContact O-N 3.41Å; F630-S634 WeakPolarHBondContact O-CB 3.37Å; F630-S634 PolarHBondContact O-N 2.92Å; F630-S634 PolarHBondContact O-OG 3.21Å; F630-L677 HydrophobicContact CB-CD2 4.23Å; F630-L677 HydrophobicContact CD2-CD1 4.49Å
631	N	56.7	Low	55.2	Low	66 Å²	66	58.9 Å²	58.9	35%	0.353	27%	0.273	S	S	.	.	H	α-helix	trans	-61.6	-49.5	173.6	-69.5	-5.5	0	0	0	110.2	Q627 M628 H633 S634 Q635	Q627-N631 PolarHBondContact NE2-OD1 2.79Å; Q627-N631 VanDerWaalsContact O-CG 3.24Å; Q627-N631 PolarHBondContact O-N 3.05Å; Q627-N631 PolarHBondContact O-OD1 2.83Å; M628-N631 PolarHBondContact O-N 2.88Å; N631-H633 VanDerWaalsContact C-N 3.35Å; N631-H633 PolarHBondContact O-N 2.83Å; N631-S634 PolarHBondContact O-N 3.36Å; N631-Q635 WeakPolarHBondContact O-CB 3.37Å; N631-Q635 WeakPolarHBondContact O-CG 3.17Å; N631-Q635 PolarHBondContact O-N 3.49Å
632	L	57.1	Low	56	Low	13 Å²	13	54.2 Å²	54.2	7%	0.068	25%	0.248	C	C	.	.	H	α-helix	trans	-57.4	-46.1	177.1	-176.6	68.7	0	0	0	111.8	W495 L506 M628 V629 Q635 I636	W495-L632 HydrophobicContact CH2-CB 4.5Å; W495-L632 HydrophobicContact CH2-CD2 4.29Å; W495-L632 HydrophobicContact CZ2-CD2 4.48Å; L506-L632 HydrophobicContact CD2-CD2 4.24Å; M628-L632 PolarHBondContact O-N 2.9Å; V629-L632 PolarHBondContact O-N 2.98Å; L632-Q635 PolarHBondContact O-N 3.43Å; L632-I636 HydrophobicContact CD1-CD1 3.92Å; L632-I636 HydrophobicContact CD1-CG1 4.27Å; L632-I636 HydrophobicContact CD2-CD1 4.33Å; L632-I636 HydrophobicContact CG-CD1 3.69Å; L632-I636 HydrophobicContact CG-CG1 4.39Å; L632-I636 VanDerWaalsContact O-CG1 3.24Å; L632-I636 WeakPolarHBondContact O-CG1 3.42Å; L632-I636 PolarHBondContact O-N 2.81Å
633	H	64	Low	56.8	Low	18 Å²	18	53 Å²	53	8%	0.083	24%	0.241	C	C	.	.	H	α-helix	trans	-57.5	-49.9	175.2	170.1	-97.9	0	0	0	112	V629 F630 N631 Q635 I636 K637 A673 E674 L677	V629-H633 WeakPolarHBondContact O-CB 3.48Å; V629-H633 PolarHBondContact O-N 3.39Å; F630-H633 PolarHBondContact O-N 3.41Å; N631-H633 VanDerWaalsContact C-N 3.35Å; N631-H633 PolarHBondContact O-N 2.83Å; H633-Q635 PolarHBondContact O-N 3.39Å; H633-I636 PolarHBondContact O-N 2.99Å; H633-K637 WeakPolarHBondContact O-CB 3.44Å; H633-K637 PolarHBondContact O-N 3.31Å; H633-A673 HydrophobicContact CB-CB 3.92Å; H633-E674 VanDerWaalsContact CD2-CG 3.41Å; H633-E674 WeakPolarHBondContact CD2-CG 3.31Å; H633-E674 IonicContact CD2-OE1 3.8Å; H633-E674 IonicContact CE1-OE1 2.95Å; H633-E674 WeakPolarHBondContact NE2-CG 3.37Å; H633-E674 IonicContact NE2-OE1 3.66Å; H633-E674 PolarHBondContact NE2-OE1 2.96Å; H633-L677 HydrophobicContact CB-CD1 4.05Å
634	S	61.5	Low	57.7	Low	46 Å²	46	48.1 Å²	48.1	32%	0.322	22%	0.223	S	C	.	.	H	α-helix	trans	-59.9	-39.6	-180	-60.1	0	0	0	0	111.4	F630 N631 Y638	F630-S634 WeakPolarHBondContact O-CB 3.37Å; F630-S634 PolarHBondContact O-N 2.92Å; F630-S634 PolarHBondContact O-OG 3.21Å; N631-S634 PolarHBondContact O-N 3.36Å; S634-Y638 WeakPolarHBondContact O-CB 3.27Å; S634-Y638 PolarHBondContact O-N 3.16Å
635	Q	56.4	Low	58.3	Low	39 Å²	39	41.4 Å²	41.4	18%	0.182	20%	0.201	C	C	.	.	H	α-helix	trans	-70.1	-49.9	-179.6	-74.2	-169.7	-27.6	0	0	112.7	F488 F514 N631 L632 H633 K637 Y638 A639	F488-Q635 HydrophobicContact CD1-CB 4.42Å; F488-Q635 HydrophobicContact CD1-CG 4.07Å; F488-Q635 HydrophobicContact CE1-CB 3.58Å; F488-Q635 HydrophobicContact CE1-CG 3.5Å; F488-Q635 HydrophobicContact CZ-CB 4.44Å; F514-Q635 VanDerWaalsContact CZ-OE1 3.26Å; N631-Q635 WeakPolarHBondContact O-CB 3.37Å; N631-Q635 WeakPolarHBondContact O-CG 3.17Å; N631-Q635 PolarHBondContact O-N 3.49Å; L632-Q635 PolarHBondContact O-N 3.43Å; H633-Q635 PolarHBondContact O-N 3.39Å; Q635-K637 PolarHBondContact O-N 3.06Å; Q635-Y638 PolarHBondContact O-N 3.48Å; Q635-A639 WeakPolarHBondContact O-CB 3.39Å; Q635-A639 PolarHBondContact O-N 2.85Å
636	I	59.1	Low	58.7	Low	7 Å²	7	41.2 Å²	41.2	4%	0.036	20%	0.198	C	C	.	.	H	α-helix	trans	-61.8	-38.2	175.9	-63	166.9	0	0	0	110.1	L632 H633 A639 L640 L666 A669 V670	L632-I636 HydrophobicContact CD1-CD1 3.92Å; L632-I636 HydrophobicContact CD1-CG1 4.27Å; L632-I636 HydrophobicContact CD2-CD1 4.33Å; L632-I636 HydrophobicContact CG-CD1 3.69Å; L632-I636 HydrophobicContact CG-CG1 4.39Å; L632-I636 VanDerWaalsContact O-CG1 3.24Å; L632-I636 WeakPolarHBondContact O-CG1 3.42Å; L632-I636 PolarHBondContact O-N 2.81Å; H633-I636 PolarHBondContact O-N 2.99Å; I636-A639 WeakPolarHBondContact O-CB 3.48Å; I636-A639 PolarHBondContact O-N 3.22Å; I636-L640 WeakPolarHBondContact O-CB 3.5Å; I636-L640 PolarHBondContact O-N 2.96Å; I636-L666 HydrophobicContact CG2-CD2 4.13Å; I636-A669 HydrophobicContact CD1-CB 4.01Å; I636-A669 HydrophobicContact CG2-CB 3.77Å; I636-V670 HydrophobicContact CB-CG2 4.21Å; I636-V670 HydrophobicContact CG2-CG2 3.53Å
637	K	63.7	Low	58.7	Low	86 Å²	86	41.7 Å²	41.7	37%	0.374	20%	0.197	S	C	.	.	H	α-helix	trans	-66.4	-39.7	176.9	-172.6	173.3	-178.8	174.6	0	112.1	H633 Q635 L640 H641 V670	H633-K637 WeakPolarHBondContact O-CB 3.44Å; H633-K637 PolarHBondContact O-N 3.31Å; Q635-K637 PolarHBondContact O-N 3.06Å; K637-L640 WeakPolarHBondContact O-CB 3.31Å; K637-L640 PolarHBondContact O-N 3.48Å; K637-H641 PolarHBondContact O-CD2 3.41Å; K637-H641 PolarHBondContact O-N 3.36Å; K637-V670 HydrophobicContact CB-CG2 4.33Å
638	Y	59.3	Low	58.9	Low	83 Å²	83	42.5 Å²	42.5	33%	0.325	20%	0.201	S	C	.	.	H	α-helix	trans	-66.1	-43.3	174.6	-174.1	-89.2	0	0	0	111.5	F488 S634 Q635 L640 H641 L642	F488-Y638 AromaticContact CE2-CD1 3.46Å; F488-Y638 HydrophobicContact CE2-CD1 3.46Å; F488-Y638 VanDerWaalsContact CE2-CD1 3.46Å; F488-Y638 AromaticContact CE2-CE1 3.84Å; F488-Y638 HydrophobicContact CE2-CE1 3.84Å; F488-Y638 HydrophobicContact CE2-CG 4.5Å; F488-Y638 AromaticContact CZ-CD1 3.52Å; F488-Y638 HydrophobicContact CZ-CD1 3.52Å; F488-Y638 HydrophobicContact CZ-CE1 4.32Å; F488-Y638 HydrophobicContact CZ-CG 4.17Å; S634-Y638 WeakPolarHBondContact O-CB 3.27Å; S634-Y638 PolarHBondContact O-N 3.16Å; Q635-Y638 PolarHBondContact O-N 3.48Å; Y638-L640 VanDerWaalsContact C-N 3.31Å; Y638-L640 PolarHBondContact O-N 2.92Å; Y638-H641 WeakPolarHBondContact O-CB 3.49Å; Y638-H641 PolarHBondContact O-N 3.37Å; Y638-H641 VanDerWaalsContact O-N 3.11Å; Y638-L642 HydrophobicContact CE1-CD1 3.9Å; Y638-L642 WeakPolarHBondContact O-CB 3.24Å; Y638-L642 PolarHBondContact O-N 3.43Å
639	A	55.7	Low	58.9	Low	2 Å²	2	42.4 Å²	42.4	2%	0.017	20%	0.203	C	C	.	.	H	α-helix	trans	-55.1	-44.7	170.9	0	0	0	0	0	112.5	L517 Q635 I636 H641 L642 L643	L517-A639 HydrophobicContact CD1-CB 3.76Å; L517-A639 HydrophobicContact CD2-CB 3.59Å; L517-A639 HydrophobicContact CG-CB 4.22Å; Q635-A639 WeakPolarHBondContact O-CB 3.39Å; Q635-A639 PolarHBondContact O-N 2.85Å; I636-A639 WeakPolarHBondContact O-CB 3.48Å; I636-A639 PolarHBondContact O-N 3.22Å; A639-H641 PolarHBondContact O-N 3.25Å; A639-L642 WeakPolarHBondContact O-CB 3.37Å; A639-L642 PolarHBondContact O-N 2.82Å; A639-L643 WeakPolarHBondContact O-CD1 3.34Å; A639-L643 VanDerWaalsContact O-CG 3.32Å; A639-L643 WeakPolarHBondContact O-CG 3.18Å; A639-L643 PolarHBondContact O-N 3.2Å
640	L	62.5	Low	58.7	Low	5 Å²	5	51.8 Å²	51.8	3%	0.026	25%	0.247	C	C	.	.	H	α-helix	trans	-61	-43.1	175	-172.1	79.5	0	0	0	111.8	I636 K637 Y638 L642 R644 L663 L666	I636-L640 WeakPolarHBondContact O-CB 3.5Å; I636-L640 PolarHBondContact O-N 2.96Å; K637-L640 WeakPolarHBondContact O-CB 3.31Å; K637-L640 PolarHBondContact O-N 3.48Å; Y638-L640 VanDerWaalsContact C-N 3.31Å; Y638-L640 PolarHBondContact O-N 2.92Å; L640-L642 VanDerWaalsContact C-N 3.33Å; L640-R644 WeakPolarHBondContact O-CB 3.33Å; L640-R644 VanDerWaalsContact O-CG 3.32Å; L640-R644 WeakPolarHBondContact O-CG 2.96Å; L640-R644 PolarHBondContact O-N 2.95Å; L640-L663 HydrophobicContact CD1-CD2 3.51Å; L640-L663 HydrophobicContact CG-CD2 4.28Å; L640-L666 HydrophobicContact CD1-CB 3.75Å
641	H	61.4	Low	58.5	Low	89 Å²	89	47.5 Å²	47.5	41%	0.412	23%	0.229	S	C	.	.	H	α-helix	trans	-62.8	-40.6	175.2	-83.9	-67	0	0	0	112.2	K637 Y638 A639 R644 A645	K637-H641 PolarHBondContact O-CD2 3.41Å; K637-H641 PolarHBondContact O-N 3.36Å; Y638-H641 WeakPolarHBondContact O-CB 3.49Å; Y638-H641 PolarHBondContact O-N 3.37Å; Y638-H641 VanDerWaalsContact O-N 3.11Å; A639-H641 PolarHBondContact O-N 3.25Å; H641-R644 PolarHBondContact O-N 3.37Å; H641-A645 PolarHBondContact O-N 2.97Å
642	L	58.2	Low	58.4	Low	11 Å²	11	46.1 Å²	46.1	6%	0.058	23%	0.23	C	C	.	.	H	α-helix	trans	-65.4	-45.6	179.6	-162.1	112	0	0	0	112	V480 C484 Y638 A639 L640 R644 A645 I646	V480-L642 HydrophobicContact CG1-CD1 3.31Å; V480-L642 HydrophobicContact CG1-CD2 3.67Å; V480-L642 HydrophobicContact CG1-CG 3.28Å; C484-L642 WeakPolarHBondContact SG-CD1 3.35Å; C484-L642 WeakPolarHBondContact SG-CD2 3.5Å; Y638-L642 HydrophobicContact CE1-CD1 3.9Å; Y638-L642 WeakPolarHBondContact O-CB 3.24Å; Y638-L642 PolarHBondContact O-N 3.43Å; A639-L642 WeakPolarHBondContact O-CB 3.37Å; A639-L642 PolarHBondContact O-N 2.82Å; L640-L642 VanDerWaalsContact C-N 3.33Å; L642-R644 VanDerWaalsContact C-N 3.3Å; L642-R644 PolarHBondContact O-N 2.91Å; L642-A645 WeakPolarHBondContact O-CA 3.47Å; L642-A645 WeakPolarHBondContact O-CB 3.42Å; L642-A645 PolarHBondContact O-N 3.28Å; L642-I646 HydrophobicContact CD2-CD1 3.95Å; L642-I646 WeakPolarHBondContact O-CG1 3.48Å; L642-I646 PolarHBondContact O-N 2.94Å
643	L	60.2	Low	58.5	Low	2 Å²	2	50.6 Å²	50.6	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-65.1	-35.9	176.1	-67	161.2	0	0	0	111.7	F516 A639 A645 I646 Q647 L659 L663 L666	F516-L643 HydrophobicContact CE1-CD1 3.95Å; F516-L643 HydrophobicContact CE1-CD2 4.2Å; F516-L643 HydrophobicContact CZ-CD2 4.21Å; A639-L643 WeakPolarHBondContact O-CD1 3.34Å; A639-L643 VanDerWaalsContact O-CG 3.32Å; A639-L643 WeakPolarHBondContact O-CG 3.18Å; A639-L643 PolarHBondContact O-N 3.2Å; L643-A645 VanDerWaalsContact C-N 3.32Å; L643-I646 HydrophobicContact CD2-CD1 4.29Å; L643-I646 PolarHBondContact O-N 2.85Å; L643-Q647 WeakPolarHBondContact O-CG 3.44Å; L643-Q647 PolarHBondContact O-N 3.12Å; L643-Q647 VanDerWaalsContact O-N 3.12Å; L643-L659 HydrophobicContact CD2-CD2 3.78Å; L643-L663 HydrophobicContact CB-CD2 4.35Å; L643-L666 HydrophobicContact CD1-CD1 3.03Å
644	R	63.8	Low	58	Low	105 Å²	105	51.6 Å²	51.6	40%	0.396	27%	0.272	S	S	.	.	H	α-helix	trans	-64.5	-35.1	170.4	-74.9	179.8	-176.6	167.7	5.1	112.3	L640 H641 L642 Q647 Q648 L663	L640-R644 WeakPolarHBondContact O-CB 3.33Å; L640-R644 VanDerWaalsContact O-CG 3.32Å; L640-R644 WeakPolarHBondContact O-CG 2.96Å; L640-R644 PolarHBondContact O-N 2.95Å; H641-R644 PolarHBondContact O-N 3.37Å; L642-R644 VanDerWaalsContact C-N 3.3Å; L642-R644 PolarHBondContact O-N 2.91Å; R644-Q647 WeakPolarHBondContact O-CB 3.23Å; R644-Q647 PolarHBondContact O-N 3.45Å; R644-Q648 PolarHBondContact O-N 2.9Å; R644-L663 HydrophobicContact CG-CD2 3.86Å
645	A	57.7	Low	57.6	Low	20 Å²	20	49.8 Å²	49.8	17%	0.165	26%	0.258	C	S	.	.	H	α-helix	trans	-68.1	-40	175.3	0	0	0	0	0	111.7	H641 L642 L643 Q647 Q648 S649	H641-A645 PolarHBondContact O-N 2.97Å; L642-A645 WeakPolarHBondContact O-CA 3.47Å; L642-A645 WeakPolarHBondContact O-CB 3.42Å; L642-A645 PolarHBondContact O-N 3.28Å; L643-A645 VanDerWaalsContact C-N 3.32Å; A645-Q647 PolarHBondContact O-N 3.24Å; A645-Q648 WeakPolarHBondContact O-CA 3.3Å; A645-Q648 WeakPolarHBondContact O-CB 3.22Å; A645-Q648 PolarHBondContact O-N 3.22Å; A645-S649 PolarHBondContact O-N 2.96Å
646	I	56.5	Low	57.8	Low	4 Å²	4	51.3 Å²	51.3	2%	0.021	26%	0.264	C	S	.	.	H	α-helix	trans	-61.6	-29.8	173	-64.4	161.3	0	0	0	111.2	V520 L524 L642 L643 Q648 S649 N651 L655 L659	V520-I646 HydrophobicContact CG1-CD1 4.15Å; L524-I646 HydrophobicContact CD1-CD1 3.55Å; L524-I646 HydrophobicContact CD1-CG1 4.09Å; L642-I646 HydrophobicContact CD2-CD1 3.95Å; L642-I646 WeakPolarHBondContact O-CG1 3.48Å; L642-I646 PolarHBondContact O-N 2.94Å; L643-I646 HydrophobicContact CD2-CD1 4.29Å; L643-I646 PolarHBondContact O-N 2.85Å; I646-Q648 VanDerWaalsContact C-N 3.28Å; I646-Q648 PolarHBondContact O-N 3.44Å; I646-S649 PolarHBondContact O-OG 3.38Å; I646-N651 VanDerWaalsContact CG2-ND2 3.26Å; I646-N651 WeakPolarHBondContact CG2-ND2 3.35Å; I646-N651 PolarHBondContact O-ND2 3.46Å; I646-L655 HydrophobicContact CG2-CD2 4.2Å; I646-L659 HydrophobicContact CB-CD1 4.34Å; I646-L659 HydrophobicContact CG2-CD1 3.67Å
647	Q	57.8	Low	57.8	Low	35 Å²	35	60.5 Å²	60.5	16%	0.164	30%	0.298	C	S	.	.	H	α-helix	trans	-71.7	-21.3	172.4	-71.3	-174.1	-29.1	0	0	114	L643 R644 A645 K656 L659 N660 L663	L643-Q647 WeakPolarHBondContact O-CG 3.44Å; L643-Q647 PolarHBondContact O-N 3.12Å; L643-Q647 VanDerWaalsContact O-N 3.12Å; R644-Q647 WeakPolarHBondContact O-CB 3.23Å; R644-Q647 PolarHBondContact O-N 3.45Å; A645-Q647 PolarHBondContact O-N 3.24Å; Q647-K656 PolarHBondContact NE2-O 3.26Å; Q647-K656 WeakPolarHBondContact O-CE 3.49Å; Q647-K656 PolarHBondContact O-NZ 3.47Å; Q647-L659 HydrophobicContact CG-CB 4.01Å; Q647-L659 HydrophobicContact CG-CD1 3.96Å; Q647-N660 PolarHBondContact NE2-OD1 2.91Å; Q647-L663 VanDerWaalsContact NE2-CD1 3.27Å; Q647-L663 VanDerWaalsContact OE1-CD1 3.31Å
648	Q	57.4	Low	57.4	Low	124 Å²	124	61.5 Å²	61.5	58%	0.579	30%	0.3	S	S	*	.	H	α-helix	trans	-84.8	-24.8	-179.9	-68.8	179.8	-1.4	0	0	112.8	R644 A645 I646	R644-Q648 PolarHBondContact O-N 2.9Å; A645-Q648 WeakPolarHBondContact O-CA 3.3Å; A645-Q648 WeakPolarHBondContact O-CB 3.22Å; A645-Q648 PolarHBondContact O-N 3.22Å; I646-Q648 VanDerWaalsContact C-N 3.28Å; I646-Q648 PolarHBondContact O-N 3.44Å
649	S	54	Low	57.4	Low	30 Å²	30	57.8 Å²	57.8	21%	0.21	29%	0.285	C	S	.	.	S	Bend	trans	-68.6	164	172.9	56.9	0	0	0	0	111.7	A645 I646 N651 K656	A645-S649 PolarHBondContact O-N 2.96Å; I646-S649 PolarHBondContact O-OG 3.38Å; S649-N651 WeakPolarHBondContact CB-OD1 3.43Å; S649-N651 PolarHBondContact O-N 2.93Å; S649-N651 PolarHBondContact OG-ND2 2.96Å; S649-N651 PolarHBondContact OG-OD1 3.25Å; S649-K656 WeakPolarHBondContact O-CE 3.39Å; S649-K656 PolarHBondContact O-NZ 3.49Å
650	Q	52	Low	57.7	Low	201 Å²	201	61.8 Å²	61.8	94%	0.939	31%	0.307	S	S	*	.	S	Bend	trans	-68.4	35	-179.1	-71.2	-173.3	-6	0	0	113.5
651	N	53.7	Low	57.7	Low	12 Å²	12	65.1 Å²	65.1	6%	0.064	32%	0.324	C	S	.	.			trans	-72.9	147.9	180	-57.7	5.2	0	0	0	109.4	I646 S649 L655 K656	I646-N651 VanDerWaalsContact CG2-ND2 3.26Å; I646-N651 WeakPolarHBondContact CG2-ND2 3.35Å; I646-N651 PolarHBondContact O-ND2 3.46Å; S649-N651 WeakPolarHBondContact CB-OD1 3.43Å; S649-N651 PolarHBondContact O-N 2.93Å; S649-N651 PolarHBondContact OG-ND2 2.96Å; S649-N651 PolarHBondContact OG-OD1 3.25Å; N651-L655 HydrophobicContact CB-CB 4.42Å; N651-L655 HydrophobicContact CB-CD2 3.52Å; N651-L655 WeakPolarHBondContact ND2-CD2 3.43Å; N651-K656 VanDerWaalsContact O-CE 3.23Å; N651-K656 WeakPolarHBondContact O-CE 3.3Å
652	G	55.5	Low	57.5	Low	37 Å²	37	61 Å²	61	38%	0.381	31%	0.305	S	S	.	.			trans	-47.9	146.4	-177.8	0	0	0	0	0	113.6	S654 L655 K656	G652-S654 PolarHBondContact O-N 3.07Å; G652-S654 VanDerWaalsContact O-N 3.12Å; G652-L655 PolarHBondContact O-N 2.95Å; G652-K656 PolarHBondContact O-N 2.91Å
653	S	58.6	Low	57.8	Low	106 Å²	106	61.5 Å²	61.5	74%	0.741	31%	0.307	S	S	*	.	H	α-helix	trans	-56.1	-28.7	179.1	55.7	0	0	0	0	112.8	R657	S653-R657 WeakPolarHBondContact O-CB 3.49Å; S653-R657 PolarHBondContact O-N 3.5Å; S653-R657 VanDerWaalsContact O-N 3.13Å
654	S	53.8	Low	57.9	Low	40 Å²	40	63.1 Å²	63.1	28%	0.28	32%	0.318	S	S	.	.	H	α-helix	trans	-63.5	-50.6	172.4	49.2	0	0	0	0	113	E534 G652 K656 R657 R658	E534-S654 WeakPolarHBondContact OE1-CB 3.33Å; E534-S654 PolarHBondContact OE1-OG 3.48Å; E534-S654 PolarHBondContact OE2-OG 3.29Å; G652-S654 PolarHBondContact O-N 3.07Å; G652-S654 VanDerWaalsContact O-N 3.12Å; S654-K656 VanDerWaalsContact C-N 3.35Å; S654-K656 PolarHBondContact O-N 3.24Å; S654-R657 PolarHBondContact O-N 2.94Å; S654-R658 PolarHBondContact O-N 3.42Å; S654-R658 VanDerWaalsContact O-N 3.12Å
655	L	52.7	Low	57.7	Low	7 Å²	7	58.5 Å²	58.5	4%	0.037	30%	0.302	C	S	.	.	H	α-helix	trans	-61	-43.2	176.7	-168.8	76.3	0	0	0	111.2	E534 I537 I646 N651 G652 R657 R658 L659	E534-L655 HydrophobicContact CG-CD1 4.48Å; I537-L655 HydrophobicContact CB-CD1 3.93Å; I537-L655 HydrophobicContact CD1-CD1 3.94Å; I537-L655 HydrophobicContact CD1-CD2 4.39Å; I537-L655 HydrophobicContact CG2-CD1 3.76Å; I646-L655 HydrophobicContact CG2-CD2 4.2Å; N651-L655 HydrophobicContact CB-CB 4.42Å; N651-L655 HydrophobicContact CB-CD2 3.52Å; N651-L655 WeakPolarHBondContact ND2-CD2 3.43Å; G652-L655 PolarHBondContact O-N 2.95Å; L655-R657 PolarHBondContact O-N 2.96Å; L655-R658 PolarHBondContact O-N 3.47Å; L655-L659 HydrophobicContact CD2-CD1 4.09Å; L655-L659 HydrophobicContact CG-CD1 3.86Å; L655-L659 HydrophobicContact CG-CG 4.29Å; L655-L659 WeakPolarHBondContact O-CB 3.26Å; L655-L659 WeakPolarHBondContact O-CG 3.37Å; L655-L659 PolarHBondContact O-N 3.43Å
656	K	60.3	Low	57.8	Low	72 Å²	72	57.8 Å²	57.8	31%	0.313	30%	0.295	S	S	.	.	H	α-helix	trans	-60.6	-44.1	177.1	-65.2	-168.4	-171.1	-152.4	0	111.9	Q647 S649 N651 G652 S654 R658 N660	Q647-K656 PolarHBondContact NE2-O 3.26Å; Q647-K656 WeakPolarHBondContact O-CE 3.49Å; Q647-K656 PolarHBondContact O-NZ 3.47Å; S649-K656 WeakPolarHBondContact O-CE 3.39Å; S649-K656 PolarHBondContact O-NZ 3.49Å; N651-K656 VanDerWaalsContact O-CE 3.23Å; N651-K656 WeakPolarHBondContact O-CE 3.3Å; G652-K656 PolarHBondContact O-N 2.91Å; S654-K656 VanDerWaalsContact C-N 3.35Å; S654-K656 PolarHBondContact O-N 3.24Å; K656-R658 VanDerWaalsContact C-N 3.33Å; K656-R658 PolarHBondContact O-N 3.35Å; K656-N660 PolarHBondContact O-N 2.97Å; K656-N660 PolarHBondContact O-ND2 2.96Å
657	R	59.9	Low	58.2	Low	200 Å²	200	60.5 Å²	60.5	76%	0.755	31%	0.308	S	S	*	.	H	α-helix	trans	-63.8	-36.2	179.6	-172.7	-177.9	-84	176.5	-5.7	112.2	S653 S654 L655 N660	S653-R657 WeakPolarHBondContact O-CB 3.49Å; S653-R657 PolarHBondContact O-N 3.5Å; S653-R657 VanDerWaalsContact O-N 3.13Å; S654-R657 PolarHBondContact O-N 2.94Å; L655-R657 PolarHBondContact O-N 2.96Å; R657-N660 WeakPolarHBondContact O-CB 3.35Å
658	R	55.1	Low	58.4	Low	107 Å²	107	61.4 Å²	61.4	40%	0.404	31%	0.313	S	S	.	.	H	α-helix	trans	-87.7	-32	-178.3	-71.6	-171.7	174.8	-138.4	14.1	114	L538 D542 S654 L655 K656 N660 I661	L538-R658 HydrophobicContact CD2-CB 3.71Å; L538-R658 HydrophobicContact CD2-CG 4.07Å; D542-R658 IonicContact OD2-NH1 3.91Å; S654-R658 PolarHBondContact O-N 3.42Å; S654-R658 VanDerWaalsContact O-N 3.12Å; L655-R658 PolarHBondContact O-N 3.47Å; K656-R658 VanDerWaalsContact C-N 3.33Å; K656-R658 PolarHBondContact O-N 3.35Å; R658-N660 PolarHBondContact O-N 3.25Å; R658-I661 HydrophobicContact CB-CD1 4.47Å; R658-I661 HydrophobicContact CG-CD1 4.19Å; R658-I661 VanDerWaalsContact O-CB 3.28Å; R658-I661 WeakPolarHBondContact O-CB 3.08Å; R658-I661 PolarHBondContact O-N 2.9Å
659	L	59.2	Low	58.4	Low	4 Å²	4	55.7 Å²	55.7	2%	0.021	29%	0.287	C	S	.	.	H	α-helix	trans	-58.7	-32.4	166.6	-75.5	171.1	0	0	0	111.7	L643 I646 Q647 L655 I661 V662 L663	L643-L659 HydrophobicContact CD2-CD2 3.78Å; I646-L659 HydrophobicContact CB-CD1 4.34Å; I646-L659 HydrophobicContact CG2-CD1 3.67Å; Q647-L659 HydrophobicContact CG-CB 4.01Å; Q647-L659 HydrophobicContact CG-CD1 3.96Å; L655-L659 HydrophobicContact CD2-CD1 4.09Å; L655-L659 HydrophobicContact CG-CD1 3.86Å; L655-L659 HydrophobicContact CG-CG 4.29Å; L655-L659 WeakPolarHBondContact O-CB 3.26Å; L655-L659 WeakPolarHBondContact O-CG 3.37Å; L655-L659 PolarHBondContact O-N 3.43Å; L659-I661 PolarHBondContact O-N 3.44Å; L659-V662 PolarHBondContact O-N 3.48Å; L659-L663 WeakPolarHBondContact O-CG 3.3Å; L659-L663 PolarHBondContact O-N 3.39Å; L659-L663 VanDerWaalsContact O-N 3.08Å
660	N	62.5	Low	58.9	Low	87 Å²	87	54.4 Å²	54.4	47%	0.465	28%	0.278	S	S	.	.	H	α-helix	trans	-61.5	-19.2	171.4	-78.4	-26.8	0	0	0	114.2	Q647 K656 R657 R658 P664	Q647-N660 PolarHBondContact NE2-OD1 2.91Å; K656-N660 PolarHBondContact O-N 2.97Å; K656-N660 PolarHBondContact O-ND2 2.96Å; R657-N660 WeakPolarHBondContact O-CB 3.35Å; R658-N660 PolarHBondContact O-N 3.25Å; N660-P664 WeakPolarHBondContact O-CD 3.49Å; N660-P664 WeakPolarHBondContact O-CG 3.36Å
661	I	60.9	Low	59.4	Low	74 Å²	74	47.7 Å²	47.7	38%	0.379	25%	0.249	S	C	.	.	H	α-helix	trans	-81.8	-34.4	177	-57.5	172.7	0	0	0	111	R658 L659 P664	R658-I661 HydrophobicContact CB-CD1 4.47Å; R658-I661 HydrophobicContact CG-CD1 4.19Å; R658-I661 VanDerWaalsContact O-CB 3.28Å; R658-I661 WeakPolarHBondContact O-CB 3.08Å; R658-I661 PolarHBondContact O-N 2.9Å; L659-I661 PolarHBondContact O-N 3.44Å; I661-P664 WeakPolarHBondContact O-CD 3.36Å
662	V	58.1	Low	59.7	Low	4 Å²	4	49.4 Å²	49.4	2%	0.024	26%	0.256	C	S	.	.	H	α-helix	trans	-82	-31.6	-179.9	179.7	0	0	0	0	112.1	F516 C541 F544 L659 C665 L666	F516-V662 HydrophobicContact CE1-CG1 4.16Å; F516-V662 HydrophobicContact CZ-CG1 3.98Å; C541-V662 HydrophobicContact CB-CG2 3.51Å; F544-V662 HydrophobicContact CD1-CG1 3.75Å; F544-V662 HydrophobicContact CE1-CG1 3.93Å; L659-V662 PolarHBondContact O-N 3.48Å; V662-C665 WeakPolarHBondContact O-CB 3.3Å; V662-C665 PolarHBondContact O-N 2.84Å; V662-L666 HydrophobicContact CG1-CD1 3.94Å; V662-L666 HydrophobicContact CG1-CG 4.25Å; V662-L666 PolarHBondContact O-N 3.02Å
663	L	64	Low	59.9	Low	20 Å²	20	47.8 Å²	47.8	11%	0.105	24%	0.239	C	C	.	.	H	α-helix	trans	-51.5	-45.7	178	-80.4	173.7	0	0	0	113.5	L640 L643 R644 Q647 L659 C665 L666 Q667	L640-L663 HydrophobicContact CD1-CD2 3.51Å; L640-L663 HydrophobicContact CG-CD2 4.28Å; L643-L663 HydrophobicContact CB-CD2 4.35Å; R644-L663 HydrophobicContact CG-CD2 3.86Å; Q647-L663 VanDerWaalsContact NE2-CD1 3.27Å; Q647-L663 VanDerWaalsContact OE1-CD1 3.31Å; L659-L663 WeakPolarHBondContact O-CG 3.3Å; L659-L663 PolarHBondContact O-N 3.39Å; L659-L663 VanDerWaalsContact O-N 3.08Å; L663-C665 PolarHBondContact O-N 3.3Å; L663-L666 PolarHBondContact O-N 3.42Å; L663-Q667 VanDerWaalsContact O-CB 3.31Å; L663-Q667 WeakPolarHBondContact O-CB 3.48Å; L663-Q667 PolarHBondContact O-N 3.29Å
664	P	61.7	Low	60.1	Low	37 Å²	37	46.9 Å²	46.9	24%	0.24	22%	0.223	C	C	.	.	H	α-helix	trans	-58.3	-41.6	173.1	-27.2	32.7	0	0	0	114	I592 N660 I661 Q667 L668	I592-P664 HydrophobicContact CD1-CB 4.49Å; I592-P664 HydrophobicContact CD1-CG 3.91Å; N660-P664 WeakPolarHBondContact O-CD 3.49Å; N660-P664 WeakPolarHBondContact O-CG 3.36Å; I661-P664 WeakPolarHBondContact O-CD 3.36Å; P664-Q667 PolarHBondContact O-N 2.78Å; P664-L668 WeakPolarHBondContact O-CB 3.37Å; P664-L668 WeakPolarHBondContact O-CG 3.41Å; P664-L668 PolarHBondContact O-N 2.95Å
665	C	60.1	Low	60.4	Low	7 Å²	7	46.4 Å²	46.4	5%	0.047	22%	0.221	C	C	.	.	H	α-helix	trans	-64.7	-42.6	179.6	-63.7	0	0	0	0	111.4	F544 V662 L663 L668 A669	F544-C665 HydrophobicContact CE1-CB 4.27Å; V662-C665 WeakPolarHBondContact O-CB 3.3Å; V662-C665 PolarHBondContact O-N 2.84Å; L663-C665 PolarHBondContact O-N 3.3Å; C665-L668 WeakPolarHBondContact O-CB 3.38Å; C665-L668 PolarHBondContact O-N 2.95Å; C665-A669 PolarHBondContact O-N 2.92Å
666	L	60.6	Low	60.7	Low	5 Å²	5	48 Å²	48	3%	0.026	23%	0.23	C	C	.	.	H	α-helix	trans	-70.7	-36.2	175.2	-72.5	169.6	0	0	0	112	F544 I636 L640 L643 V662 L663 A669 V670	F544-L666 HydrophobicContact CE1-CD2 4.04Å; F544-L666 HydrophobicContact CE1-CG 4.08Å; F544-L666 HydrophobicContact CZ-CD2 3.62Å; F544-L666 HydrophobicContact CZ-CG 4.19Å; I636-L666 HydrophobicContact CG2-CD2 4.13Å; L640-L666 HydrophobicContact CD1-CB 3.75Å; L643-L666 HydrophobicContact CD1-CD1 3.03Å; V662-L666 HydrophobicContact CG1-CD1 3.94Å; V662-L666 HydrophobicContact CG1-CG 4.25Å; V662-L666 PolarHBondContact O-N 3.02Å; L663-L666 PolarHBondContact O-N 3.42Å; L666-A669 VanDerWaalsContact O-CB 3.31Å; L666-A669 WeakPolarHBondContact O-CB 3.4Å; L666-A669 PolarHBondContact O-N 3.19Å; L666-V670 WeakPolarHBondContact O-CG2 3.15Å; L666-V670 PolarHBondContact O-N 2.93Å
667	Q	64.9	Low	60.7	Low	62 Å²	62	45.7 Å²	45.7	29%	0.29	22%	0.22	S	C	.	.	H	α-helix	trans	-63.7	-42	173.7	-173.2	64.3	56.6	0	0	111.2	L663 P664 A669 V670 D671	L663-Q667 VanDerWaalsContact O-CB 3.31Å; L663-Q667 WeakPolarHBondContact O-CB 3.48Å; L663-Q667 PolarHBondContact O-N 3.29Å; P664-Q667 PolarHBondContact O-N 2.78Å; Q667-A669 VanDerWaalsContact C-N 3.27Å; Q667-A669 PolarHBondContact O-N 2.9Å; Q667-V670 WeakPolarHBondContact O-CB 3.32Å; Q667-V670 PolarHBondContact O-N 3.39Å; Q667-D671 PolarHBondContact NE2-OD1 3.42Å; Q667-D671 WeakPolarHBondContact O-CB 3.27Å; Q667-D671 VanDerWaalsContact O-CG 3.22Å; Q667-D671 PolarHBondContact O-N 2.97Å
668	L	61.5	Low	60.6	Low	53 Å²	53	40.8 Å²	40.8	28%	0.277	21%	0.209	S	C	.	.	H	α-helix	trans	-58.2	-41	172.3	-80.9	160.7	0	0	0	111.6	A588 P664 C665 D671 F672	A588-L668 HydrophobicContact CB-CD1 4.48Å; P664-L668 WeakPolarHBondContact O-CB 3.37Å; P664-L668 WeakPolarHBondContact O-CG 3.41Å; P664-L668 PolarHBondContact O-N 2.95Å; C665-L668 WeakPolarHBondContact O-CB 3.38Å; C665-L668 PolarHBondContact O-N 2.95Å; L668-D671 PolarHBondContact O-N 3.06Å; L668-F672 VanDerWaalsContact O-CB 3.29Å; L668-F672 WeakPolarHBondContact O-CB 3.41Å; L668-F672 PolarHBondContact O-N 2.86Å
669	A	58.3	Low	60.6	Low	4 Å²	4	39.3 Å²	39.3	3%	0.033	21%	0.209	C	C	.	.	H	α-helix	trans	-63.1	-43.3	175.6	0	0	0	0	0	112.4	F552 I636 C665 L666 Q667 A673	F552-A669 HydrophobicContact CE1-CB 4.07Å; F552-A669 HydrophobicContact CE2-CB 3.85Å; F552-A669 VanDerWaalsContact CZ-CA 3.42Å; F552-A669 HydrophobicContact CZ-CB 3.24Å; I636-A669 HydrophobicContact CD1-CB 4.01Å; I636-A669 HydrophobicContact CG2-CB 3.77Å; C665-A669 PolarHBondContact O-N 2.92Å; L666-A669 VanDerWaalsContact O-CB 3.31Å; L666-A669 WeakPolarHBondContact O-CB 3.4Å; L666-A669 PolarHBondContact O-N 3.19Å; Q667-A669 VanDerWaalsContact C-N 3.27Å; Q667-A669 PolarHBondContact O-N 2.9Å; A669-A673 WeakPolarHBondContact O-CB 3.46Å; A669-A673 PolarHBondContact O-N 3.32Å
670	V	63.4	Low	60.2	Low	4 Å²	4	39.5 Å²	39.5	2%	0.024	21%	0.21	C	C	.	.	H	α-helix	trans	-61.9	-50.9	173.7	173.8	0	0	0	0	110.4	I636 K637 L666 Q667 F672 A673 E674	I636-V670 HydrophobicContact CB-CG2 4.21Å; I636-V670 HydrophobicContact CG2-CG2 3.53Å; K637-V670 HydrophobicContact CB-CG2 4.33Å; L666-V670 WeakPolarHBondContact O-CG2 3.15Å; L666-V670 PolarHBondContact O-N 2.93Å; Q667-V670 WeakPolarHBondContact O-CB 3.32Å; Q667-V670 PolarHBondContact O-N 3.39Å; V670-F672 VanDerWaalsContact C-N 3.29Å; V670-F672 PolarHBondContact O-N 3.24Å; V670-A673 PolarHBondContact O-N 2.98Å; V670-A673 VanDerWaalsContact O-N 3.17Å; V670-E674 HydrophobicContact CG1-CG 4.35Å; V670-E674 WeakPolarHBondContact O-CG 3.48Å; V670-E674 PolarHBondContact O-N 3.44Å
671	D	62	Low	59.9	Low	60 Å²	60	38.7 Å²	38.7	32%	0.321	21%	0.205	S	C	.	.	H	α-helix	trans	-60.8	-39.7	-178.2	-70.7	1	0	0	0	111.3	Q667 L668 A675	Q667-D671 PolarHBondContact NE2-OD1 3.42Å; Q667-D671 WeakPolarHBondContact O-CB 3.27Å; Q667-D671 VanDerWaalsContact O-CG 3.22Å; Q667-D671 PolarHBondContact O-N 2.97Å; L668-D671 PolarHBondContact O-N 3.06Å; D671-A675 WeakPolarHBondContact O-CB 3.43Å; D671-A675 PolarHBondContact O-N 3.04Å
672	F	60.6	Low	59.4	Low	48 Å²	48	41 Å²	41	21%	0.211	21%	0.213	C	C	.	.	H	α-helix	trans	-64.1	-47.9	174.8	179	-90	0	0	0	111.8	W505 F552 L555 L668 V670 E674 A675 L676	W505-F672 AromaticContact CH2-CE1 3.7Å; W505-F672 HydrophobicContact CH2-CE1 3.7Å; W505-F672 HydrophobicContact CH2-CZ 4.13Å; W505-F672 HydrophobicContact CZ2-CE1 4.3Å; W505-F672 HydrophobicContact CZ2-CZ 4.3Å; F552-F672 HydrophobicContact CE1-CB 4.47Å; L555-F672 HydrophobicContact CB-CE2 4.1Å; L555-F672 HydrophobicContact CD1-CD2 4.47Å; L555-F672 HydrophobicContact CD1-CE1 4.3Å; L555-F672 HydrophobicContact CD1-CE2 4.01Å; L555-F672 HydrophobicContact CD1-CZ 3.93Å; L555-F672 HydrophobicContact CD2-CE2 4.01Å; L555-F672 HydrophobicContact CD2-CZ 3.84Å; L555-F672 HydrophobicContact CG-CE2 4.28Å; L555-F672 HydrophobicContact CG-CZ 4.38Å; L668-F672 VanDerWaalsContact O-CB 3.29Å; L668-F672 WeakPolarHBondContact O-CB 3.41Å; L668-F672 PolarHBondContact O-N 2.86Å; V670-F672 VanDerWaalsContact C-N 3.29Å; V670-F672 PolarHBondContact O-N 3.24Å; F672-E674 VanDerWaalsContact C-N 3.33Å; F672-E674 PolarHBondContact O-N 3.32Å; F672-A675 PolarHBondContact O-N 2.97Å; F672-L676 HydrophobicContact CE1-CD2 4.33Å; F672-L676 WeakPolarHBondContact O-CB 3.49Å; F672-L676 PolarHBondContact O-N 3.28Å
673	A	60.8	Low	58.6	Low	3 Å²	3	44.3 Å²	44.3	3%	0.025	23%	0.233	C	C	.	.	H	α-helix	trans	-63.7	-39	178.6	0	0	0	0	0	111.7	V629 H633 A669 V670 L676 L677	V629-A673 HydrophobicContact CG1-CB 4.45Å; H633-A673 HydrophobicContact CB-CB 3.92Å; A669-A673 WeakPolarHBondContact O-CB 3.46Å; A669-A673 PolarHBondContact O-N 3.32Å; V670-A673 PolarHBondContact O-N 2.98Å; V670-A673 VanDerWaalsContact O-N 3.17Å; A673-L676 PolarHBondContact O-N 3.48Å; A673-L677 WeakPolarHBondContact O-CB 3.16Å; A673-L677 WeakPolarHBondContact O-CG 3.18Å; A673-L677 PolarHBondContact O-N 3.07Å
674	E	62.1	Low	57.6	Low	87 Å²	87	49 Å²	49	41%	0.407	25%	0.249	S	C	.	.	H	α-helix	trans	-62.2	-45.5	172.9	-73.2	-172.3	178.5	0	0	111.8	H633 V670 F672 L676 L677 L678	H633-E674 VanDerWaalsContact CD2-CG 3.41Å; H633-E674 WeakPolarHBondContact CD2-CG 3.31Å; H633-E674 IonicContact CD2-OE1 3.8Å; H633-E674 IonicContact CE1-OE1 2.95Å; H633-E674 WeakPolarHBondContact NE2-CG 3.37Å; H633-E674 IonicContact NE2-OE1 3.66Å; H633-E674 PolarHBondContact NE2-OE1 2.96Å; V670-E674 HydrophobicContact CG1-CG 4.35Å; V670-E674 WeakPolarHBondContact O-CG 3.48Å; V670-E674 PolarHBondContact O-N 3.44Å; F672-E674 VanDerWaalsContact C-N 3.33Å; F672-E674 PolarHBondContact O-N 3.32Å; E674-L676 VanDerWaalsContact C-N 3.32Å; E674-L676 PolarHBondContact O-N 2.93Å; E674-L677 PolarHBondContact O-N 3.32Å; E674-L678 WeakPolarHBondContact O-CB 3.45Å; E674-L678 PolarHBondContact O-N 3Å
675	A	59.7	Low	56.6	Low	29 Å²	29	51.8 Å²	51.8	24%	0.24	26%	0.262	C	S	.	.	H	α-helix	trans	-63.3	-39.1	176.9	0	0	0	0	0	112	D671 F672 L678 N679	D671-A675 WeakPolarHBondContact O-CB 3.43Å; D671-A675 PolarHBondContact O-N 3.04Å; F672-A675 PolarHBondContact O-N 2.97Å; A675-L678 PolarHBondContact O-N 2.94Å; A675-N679 WeakPolarHBondContact O-CB 3.42Å; A675-N679 PolarHBondContact O-N 3Å
676	L	59.3	Low	55.5	Low	42 Å²	42	54 Å²	54	22%	0.22	28%	0.281	C	S	.	.	H	α-helix	trans	-65.8	-46.2	176.2	-171.7	66.3	0	0	0	111	V629 F672 A673 E674 L678 N679 M680	V629-L676 HydrophobicContact CG1-CB 4.36Å; V629-L676 HydrophobicContact CG1-CD2 3.9Å; V629-L676 HydrophobicContact CG1-CG 4.34Å; V629-L676 HydrophobicContact CG2-CD2 3.76Å; F672-L676 HydrophobicContact CE1-CD2 4.33Å; F672-L676 WeakPolarHBondContact O-CB 3.49Å; F672-L676 PolarHBondContact O-N 3.28Å; A673-L676 PolarHBondContact O-N 3.48Å; E674-L676 VanDerWaalsContact C-N 3.32Å; E674-L676 PolarHBondContact O-N 2.93Å; L676-L678 VanDerWaalsContact C-N 3.32Å; L676-L678 PolarHBondContact O-N 3.26Å; L676-N679 PolarHBondContact O-N 3.45Å; L676-M680 HydrophobicContact CG-CG 4.5Å; L676-M680 HydrophobicContact CG-SD 4.26Å; L676-M680 WeakPolarHBondContact O-CB 3.05Å; L676-M680 VanDerWaalsContact O-CG 3.26Å; L676-M680 WeakPolarHBondContact O-CG 3.42Å; L676-M680 PolarHBondContact O-N 3.1Å
677	L	59.5	Low	54.5	Low	22 Å²	22	57.5 Å²	57.5	12%	0.115	30%	0.299	C	S	.	.	H	α-helix	trans	-59.1	-42.9	174.1	-75.5	167.4	0	0	0	111.8	V629 F630 H633 A673 E674 M680 N681	V629-L677 HydrophobicContact CB-CD2 3.94Å; V629-L677 HydrophobicContact CB-CG 4.3Å; V629-L677 HydrophobicContact CG1-CD1 4.33Å; V629-L677 HydrophobicContact CG1-CD2 3.89Å; V629-L677 HydrophobicContact CG1-CG 3.67Å; F630-L677 HydrophobicContact CB-CD2 4.23Å; F630-L677 HydrophobicContact CD2-CD1 4.49Å; H633-L677 HydrophobicContact CB-CD1 4.05Å; A673-L677 WeakPolarHBondContact O-CB 3.16Å; A673-L677 WeakPolarHBondContact O-CG 3.18Å; A673-L677 PolarHBondContact O-N 3.07Å; E674-L677 PolarHBondContact O-N 3.32Å; L677-M680 PolarHBondContact O-N 3.17Å; L677-N681 VanDerWaalsContact O-CB 3.29Å; L677-N681 WeakPolarHBondContact O-CB 3.27Å; L677-N681 VanDerWaalsContact O-CG 3.23Å; L677-N681 PolarHBondContact O-N 3.41Å; L677-N681 PolarHBondContact O-ND2 3.48Å; L677-N681 VanDerWaalsContact O-ND2 3.16Å
678	L	58.8	Low	53.2	Low	97 Å²	97	57.9 Å²	57.9	51%	0.508	30%	0.303	S	S	.	.	H	α-helix	trans	-61.4	-45.5	176.7	-165.9	97.2	0	0	0	111	E674 A675 L676 N681 K682	E674-L678 WeakPolarHBondContact O-CB 3.45Å; E674-L678 PolarHBondContact O-N 3Å; A675-L678 PolarHBondContact O-N 2.94Å; L676-L678 VanDerWaalsContact C-N 3.32Å; L676-L678 PolarHBondContact O-N 3.26Å; L678-N681 PolarHBondContact O-N 3.34Å; L678-K682 HydrophobicContact CD2-CD 4.46Å; L678-K682 WeakPolarHBondContact O-CB 3.33Å; L678-K682 WeakPolarHBondContact O-CG 3.42Å; L678-K682 PolarHBondContact O-N 2.93Å
679	N	54.6	Low	52.1	Low	77 Å²	77	61.2 Å²	61.2	41%	0.412	32%	0.321	S	S	.	.	H	α-helix	trans	-67.1	-43.3	178.4	-76.6	-17	0	0	0	112	A675 L676 N681 K682 V683	A675-N679 WeakPolarHBondContact O-CB 3.42Å; A675-N679 PolarHBondContact O-N 3Å; L676-N679 PolarHBondContact O-N 3.45Å; N679-N681 VanDerWaalsContact C-N 3.3Å; N679-N681 PolarHBondContact O-N 3.3Å; N679-K682 PolarHBondContact O-N 3.45Å; N679-V683 WeakPolarHBondContact O-CG2 3.28Å; N679-V683 PolarHBondContact O-N 3.33Å
680	M	52	Low	51.2	Low	8 Å²	8	65 Å²	65	4%	0.039	35%	0.353	C	S	.	.	H	α-helix	trans	-61.3	-40.3	174.9	-70.2	-176.6	77.9	0	0	111.3	F620 L622 V629 L676 L677 V683 R684	F620-M680 HydrophobicContact CD1-CE 3.42Å; F620-M680 VanDerWaalsContact CD1-CE 3.42Å; F620-M680 HydrophobicContact CD1-SD 4.37Å; F620-M680 HydrophobicContact CE1-CE 3.68Å; F620-M680 HydrophobicContact CE1-SD 4.07Å; F620-M680 HydrophobicContact CG-CE 4.18Å; L622-M680 HydrophobicContact CD2-CB 4.48Å; L622-M680 HydrophobicContact CD2-CE 4.48Å; V629-M680 HydrophobicContact CG2-SD 4.14Å; L676-M680 HydrophobicContact CG-CG 4.5Å; L676-M680 HydrophobicContact CG-SD 4.26Å; L676-M680 WeakPolarHBondContact O-CB 3.05Å; L676-M680 VanDerWaalsContact O-CG 3.26Å; L676-M680 WeakPolarHBondContact O-CG 3.42Å; L676-M680 PolarHBondContact O-N 3.1Å; L677-M680 PolarHBondContact O-N 3.17Å; M680-V683 PolarHBondContact O-N 3.45Å; M680-R684 VanDerWaalsContact O-CB 3.3Å; M680-R684 WeakPolarHBondContact O-CB 3.32Å; M680-R684 PolarHBondContact O-N 3.32Å
681	N	55.3	Low	50.1	Low	69 Å²	69	73.9 Å²	73.9	37%	0.369	39%	0.386	S	S	.	.	H	α-helix	trans	-68.3	-38.5	175	-75.2	-30.7	0	0	0	112.3	L677 L678 N679 R684 L685	L677-N681 VanDerWaalsContact O-CB 3.29Å; L677-N681 WeakPolarHBondContact O-CB 3.27Å; L677-N681 VanDerWaalsContact O-CG 3.23Å; L677-N681 PolarHBondContact O-N 3.41Å; L677-N681 PolarHBondContact O-ND2 3.48Å; L677-N681 VanDerWaalsContact O-ND2 3.16Å; L678-N681 PolarHBondContact O-N 3.34Å; N679-N681 VanDerWaalsContact C-N 3.3Å; N679-N681 PolarHBondContact O-N 3.3Å; N681-R684 PolarHBondContact O-N 3.37Å; N681-L685 WeakPolarHBondContact O-CB 3.45Å; N681-L685 WeakPolarHBondContact O-CD1 3.44Å; N681-L685 WeakPolarHBondContact O-CG 3.45Å; N681-L685 PolarHBondContact O-N 2.9Å
682	K	50.3	Low	49.1	Very low	123 Å²	123	75.3 Å²	75.3	54%	0.535	40%	0.396	S	S	.	.	H	α-helix	trans	-63.6	-43.4	173	-78.7	179.1	179.2	-179.9	0	111.9	L678 N679 L685 A686	L678-K682 HydrophobicContact CD2-CD 4.46Å; L678-K682 WeakPolarHBondContact O-CB 3.33Å; L678-K682 WeakPolarHBondContact O-CG 3.42Å; L678-K682 PolarHBondContact O-N 2.93Å; N679-K682 PolarHBondContact O-N 3.45Å; K682-L685 PolarHBondContact O-N 3.38Å; K682-A686 VanDerWaalsContact O-CB 3.22Å; K682-A686 WeakPolarHBondContact O-CB 3.45Å; K682-A686 PolarHBondContact O-N 3.01Å
683	V	41	Very low	48.5	Very low	73 Å²	73	77.3 Å²	77.3	44%	0.442	41%	0.409	S	S	.	.	H	α-helix	trans	-67.9	-37.1	176	174.7	0	0	0	0	110.8	L622 N679 M680 A686 N687	L622-V683 HydrophobicContact CD1-CG1 4.37Å; L622-V683 HydrophobicContact CD2-CG1 4.36Å; N679-V683 WeakPolarHBondContact O-CG2 3.28Å; N679-V683 PolarHBondContact O-N 3.33Å; M680-V683 PolarHBondContact O-N 3.45Å; V683-A686 PolarHBondContact O-N 3.3Å; V683-N687 VanDerWaalsContact O-CB 3.3Å; V683-N687 WeakPolarHBondContact O-CB 3.33Å; V683-N687 PolarHBondContact O-N 3.07Å
684	R	43.7	Very low	47.6	Very low	119 Å²	119	83.5 Å²	83.5	45%	0.449	44%	0.442	S	S	.	.	H	α-helix	trans	-61.3	-50.6	171.9	-161.3	-174.3	88.1	169.7	3	110.9	L622 M680 N681 A686 N687 D688	L622-R684 HydrophobicContact CD1-CB 4.39Å; L622-R684 HydrophobicContact CD1-CG 4.5Å; M680-R684 VanDerWaalsContact O-CB 3.3Å; M680-R684 WeakPolarHBondContact O-CB 3.32Å; M680-R684 PolarHBondContact O-N 3.32Å; N681-R684 PolarHBondContact O-N 3.37Å; R684-A686 VanDerWaalsContact C-N 3.32Å; R684-A686 PolarHBondContact O-N 3.25Å; R684-N687 PolarHBondContact O-N 3.25Å; R684-D688 IonicContact NE-OD2 3.7Å; R684-D688 WeakPolarHBondContact O-CB 3.12Å; R684-D688 PolarHBondContact O-N 3.4Å
685	L	39.6	Very low	46.9	Very low	96 Å²	96	81.8 Å²	81.8	50%	0.503	45%	0.448	S	S	.	.	H	α-helix	trans	-62.1	-36.8	175.6	-72.4	163.3	0	0	0	112.2	N681 K682 N689	N681-L685 WeakPolarHBondContact O-CB 3.45Å; N681-L685 WeakPolarHBondContact O-CD1 3.44Å; N681-L685 WeakPolarHBondContact O-CG 3.45Å; N681-L685 PolarHBondContact O-N 2.9Å; K682-L685 PolarHBondContact O-N 3.38Å; L685-N689 WeakPolarHBondContact O-CB 3.4Å; L685-N689 PolarHBondContact O-N 2.95Å; L685-N689 PolarHBondContact O-ND2 2.62Å
686	A	37.9	Very low	46.4	Very low	54 Å²	54	86.2 Å²	86.2	45%	0.446	46%	0.461	S	S	.	.	H	α-helix	trans	-70.9	-41.7	176.8	0	0	0	0	0	112.2	K682 V683 R684 N689 A690	K682-A686 VanDerWaalsContact O-CB 3.22Å; K682-A686 WeakPolarHBondContact O-CB 3.45Å; K682-A686 PolarHBondContact O-N 3.01Å; V683-A686 PolarHBondContact O-N 3.3Å; R684-A686 VanDerWaalsContact C-N 3.32Å; R684-A686 PolarHBondContact O-N 3.25Å; A686-N689 PolarHBondContact O-N 3.18Å; A686-A690 VanDerWaalsContact O-CB 3.26Å; A686-A690 WeakPolarHBondContact O-CB 3.45Å; A686-A690 PolarHBondContact O-N 3.36Å
687	N	40.2	Very low	45.7	Very low	78 Å²	78	86.6 Å²	86.6	42%	0.417	46%	0.464	S	S	.	.	H	α-helix	trans	-68.9	-34.9	173.4	-83.5	-21.4	0	0	0	112.2	V683 R684 N689 R691	V683-N687 VanDerWaalsContact O-CB 3.3Å; V683-N687 WeakPolarHBondContact O-CB 3.33Å; V683-N687 PolarHBondContact O-N 3.07Å; R684-N687 PolarHBondContact O-N 3.25Å; N687-N689 VanDerWaalsContact C-N 3.31Å; N687-R691 WeakPolarHBondContact O-CB 3.36Å; N687-R691 WeakPolarHBondContact O-CG 3.16Å; N687-R691 PolarHBondContact O-N 3.5Å
688	D	37.4	Very low	45	Very low	69 Å²	69	87.1 Å²	87.1	37%	0.369	47%	0.474	S	S	.	.	H	α-helix	trans	-73.5	-23.5	174.7	-69.9	-21.2	0	0	0	112	R684	R684-D688 IonicContact NE-OD2 3.7Å; R684-D688 WeakPolarHBondContact O-CB 3.12Å; R684-D688 PolarHBondContact O-N 3.4Å
689	N	37.3	Very low	44.7	Very low	123 Å²	123	86 Å²	86	66%	0.658	46%	0.463	S	S	*	.	H	α-helix	trans	-87.5	-28.4	172.5	-75.1	-27	0	0	0	113.2	L685 A686 N687	L685-N689 WeakPolarHBondContact O-CB 3.4Å; L685-N689 PolarHBondContact O-N 2.95Å; L685-N689 PolarHBondContact O-ND2 2.62Å; A686-N689 PolarHBondContact O-N 3.18Å; N687-N689 VanDerWaalsContact C-N 3.31Å
690	A	39.9	Very low	44.4	Very low	84 Å²	84	86 Å²	86	69%	0.694	46%	0.462	S	S	*	.	H	α-helix	trans	-83.2	-24.9	177.3	0	0	0	0	0	113	A686	A686-A690 VanDerWaalsContact O-CB 3.26Å; A686-A690 WeakPolarHBondContact O-CB 3.45Å; A686-A690 PolarHBondContact O-N 3.36Å
691	R	39.5	Very low	44.3	Very low	190 Å²	190	88.6 Å²	88.6	72%	0.717	48%	0.476	S	S	*	.	S	Bend	trans	-85.1	121.5	164	-71	178.3	173.6	-172.4	-1.7	107.3	N687 N693	N687-R691 WeakPolarHBondContact O-CB 3.36Å; N687-R691 WeakPolarHBondContact O-CG 3.16Å; N687-R691 PolarHBondContact O-N 3.5Å; R691-N693 PolarHBondContact O-N 2.85Å
692	V	42.1	Very low	44.1	Very low	90 Å²	90	90.7 Å²	90.7	55%	0.545	48%	0.483	S	S	.	.			trans	-60.5	89	159.5	-177.9	0	0	0	0	105.8	L697	V692-L697 HydrophobicContact CG1-CB 3.93Å; V692-L697 HydrophobicContact CG1-CD1 4.23Å
693	N	47.7	Very low	44.3	Very low	91 Å²	91	87.6 Å²	87.6	49%	0.487	47%	0.473	S	S	.	.			trans	-60.5	143.9	-177.2	-165.7	-10	0	0	0	107.6	R691 G695 K696 L697	R691-N693 PolarHBondContact O-N 2.85Å; N693-G695 CarbonylContact O-C 3.57Å; N693-G695 PolarHBondContact O-N 2.91Å; N693-K696 WeakPolarHBondContact O-CA 3.33Å; N693-K696 PolarHBondContact O-N 3.47Å; N693-L697 PolarHBondContact O-N 3.01Å
694	D	42.7	Very low	44.7	Very low	133 Å²	133	86.5 Å²	86.5	71%	0.711	46%	0.464	S	S	*	.	H	α-helix	trans	-52	-25.5	-178.3	-76.8	-30.4	0	0	0	112	G698	D694-G698 VanDerWaalsContact O-CA 3.31Å; D694-G698 WeakPolarHBondContact O-CA 3.1Å; D694-G698 PolarHBondContact O-N 3.39Å
695	G	46.2	Very low	44.9	Very low	51 Å²	51	85.8 Å²	85.8	53%	0.526	47%	0.469	S	S	.	.	H	α-helix	trans	-68.2	-42.9	170.9	0	0	0	0	0	114.7	N693 G698 W699	N693-G695 CarbonylContact O-C 3.57Å; N693-G695 PolarHBondContact O-N 2.91Å; G695-G698 PolarHBondContact O-N 2.85Å; G695-W699 VanDerWaalsContact O-CB 3.3Å; G695-W699 WeakPolarHBondContact O-CB 3.42Å; G695-W699 PolarHBondContact O-N 3.49Å
696	K	49	Very low	45.6	Very low	121 Å²	121	89 Å²	89	53%	0.526	47%	0.474	S	S	.	.	H	α-helix	trans	-72.4	-39.7	177	-159	172.2	-173.3	176	0	110.6	N693 W699 I700	N693-K696 WeakPolarHBondContact O-CA 3.33Å; N693-K696 PolarHBondContact O-N 3.47Å; K696-W699 PolarHBondContact O-N 3.26Å; K696-I700 WeakPolarHBondContact O-CD1 3.49Å; K696-I700 VanDerWaalsContact O-CG1 3.22Å; K696-I700 WeakPolarHBondContact O-CG1 3.38Å; K696-I700 PolarHBondContact O-N 3.04Å
697	L	45.7	Very low	46	Very low	51 Å²	51	87.7 Å²	87.7	27%	0.267	46%	0.464	S	S	.	.	H	α-helix	trans	-62.9	-43.9	170	-167.3	69.2	0	0	0	111.2	V692 N693 W699 I700 L701	V692-L697 HydrophobicContact CG1-CB 3.93Å; V692-L697 HydrophobicContact CG1-CD1 4.23Å; N693-L697 PolarHBondContact O-N 3.01Å; L697-W699 PolarHBondContact O-N 3.47Å; L697-I700 PolarHBondContact O-N 3.47Å; L697-L701 HydrophobicContact CG-CD1 4.16Å; L697-L701 WeakPolarHBondContact O-CB 3.48Å; L697-L701 WeakPolarHBondContact O-CD1 3.38Å; L697-L701 WeakPolarHBondContact O-CG 3.27Å; L697-L701 PolarHBondContact O-N 2.97Å
698	G	44.4	Very low	46.2	Very low	32 Å²	32	85.7 Å²	85.7	33%	0.33	45%	0.453	S	S	.	.	H	α-helix	trans	-63.1	-37.4	176.9	0	0	0	0	0	113.2	D694 G695 L701 H702	D694-G698 VanDerWaalsContact O-CA 3.31Å; D694-G698 WeakPolarHBondContact O-CA 3.1Å; D694-G698 PolarHBondContact O-N 3.39Å; G695-G698 PolarHBondContact O-N 2.85Å; G698-L701 PolarHBondContact O-N 2.91Å; G698-H702 WeakPolarHBondContact O-CB 3.35Å; G698-H702 PolarHBondContact O-N 3Å
699	W	52.9	Low	46.6	Very low	74 Å²	74	84.6 Å²	84.6	28%	0.28	45%	0.454	S	S	.	.	H	α-helix	trans	-68.7	-45.4	174.2	-176.7	86.8	0	0	0	111.8	L89 L96 G695 K696 L697 L701 H702 N703	L89-W699 HydrophobicContact CD2-CH2 3.81Å; L96-W699 HydrophobicContact CD1-CZ2 4.34Å; G695-W699 VanDerWaalsContact O-CB 3.3Å; G695-W699 WeakPolarHBondContact O-CB 3.42Å; G695-W699 PolarHBondContact O-N 3.49Å; K696-W699 PolarHBondContact O-N 3.26Å; L697-W699 PolarHBondContact O-N 3.47Å; W699-L701 VanDerWaalsContact C-N 3.29Å; W699-L701 PolarHBondContact O-N 3.37Å; W699-H702 PolarHBondContact O-N 3.05Å; W699-N703 VanDerWaalsContact CH2-ND2 3.3Å; W699-N703 WeakPolarHBondContact CH2-ND2 3.46Å; W699-N703 WeakPolarHBondContact CZ2-ND2 3.42Å; W699-N703 PolarHBondContact O-N 3.38Å
700	I	48.8	Very low	47.1	Very low	76 Å²	76	83.1 Å²	83.1	39%	0.39	45%	0.446	S	S	.	.	H	α-helix	trans	-56.7	-46.9	172.1	-68.1	165.7	0	0	0	109.5	K696 L697 H702 N703 L704	K696-I700 WeakPolarHBondContact O-CD1 3.49Å; K696-I700 VanDerWaalsContact O-CG1 3.22Å; K696-I700 WeakPolarHBondContact O-CG1 3.38Å; K696-I700 PolarHBondContact O-N 3.04Å; L697-I700 PolarHBondContact O-N 3.47Å; I700-H702 PolarHBondContact O-N 2.97Å; I700-N703 PolarHBondContact O-N 3.49Å; I700-L704 HydrophobicContact CG2-CD1 4.32Å; I700-L704 WeakPolarHBondContact O-CB 3.48Å; I700-L704 PolarHBondContact O-N 3.29Å
701	L	48.3	Very low	47.2	Very low	63 Å²	63	81.2 Å²	81.2	33%	0.33	43%	0.425	S	S	.	.	H	α-helix	trans	-62.2	-39.8	177.2	-75.6	166.5	0	0	0	113	L697 G698 W699 L704 N705	L697-L701 HydrophobicContact CG-CD1 4.16Å; L697-L701 WeakPolarHBondContact O-CB 3.48Å; L697-L701 WeakPolarHBondContact O-CD1 3.38Å; L697-L701 WeakPolarHBondContact O-CG 3.27Å; L697-L701 PolarHBondContact O-N 2.97Å; G698-L701 PolarHBondContact O-N 2.91Å; W699-L701 VanDerWaalsContact C-N 3.29Å; W699-L701 PolarHBondContact O-N 3.37Å; L701-L704 PolarHBondContact O-N 2.96Å; L701-N705 WeakPolarHBondContact O-CB 3.33Å; L701-N705 PolarHBondContact O-N 3.36Å; L701-N705 PolarHBondContact O-ND2 3.35Å
702	H	52.4	Low	47.2	Very low	114 Å²	114	81.3 Å²	81.3	53%	0.528	43%	0.425	S	S	.	.	H	α-helix	trans	-65.7	-46.8	178.3	-177.8	72	0	0	0	111.5	G698 W699 I700 L704 N705 R706	G698-H702 WeakPolarHBondContact O-CB 3.35Å; G698-H702 PolarHBondContact O-N 3Å; W699-H702 PolarHBondContact O-N 3.05Å; I700-H702 PolarHBondContact O-N 2.97Å; H702-L704 VanDerWaalsContact C-N 3.33Å; H702-L704 PolarHBondContact O-N 3.31Å; H702-N705 PolarHBondContact O-N 2.82Å; H702-R706 WeakPolarHBondContact O-CB 3.41Å; H702-R706 PolarHBondContact O-N 3.2Å
703	N	53.8	Low	47.3	Very low	58 Å²	58	82.1 Å²	82.1	31%	0.31	43%	0.427	S	S	.	.	H	α-helix	trans	-63.8	-40	176.8	-73.7	-17.9	0	0	0	111.7	W699 I700 R706 A707	W699-N703 VanDerWaalsContact CH2-ND2 3.3Å; W699-N703 WeakPolarHBondContact CH2-ND2 3.46Å; W699-N703 WeakPolarHBondContact CZ2-ND2 3.42Å; W699-N703 PolarHBondContact O-N 3.38Å; I700-N703 PolarHBondContact O-N 3.49Å; N703-R706 PolarHBondContact O-N 2.91Å; N703-A707 WeakPolarHBondContact O-CB 3.41Å; N703-A707 PolarHBondContact O-N 2.96Å
704	L	49.4	Very low	47.1	Very low	50 Å²	50	82.2 Å²	82.2	26%	0.262	43%	0.427	S	S	.	.	H	α-helix	trans	-61.4	-45.5	173.9	-124.8	140.9	0	0	0	111.7	L52 I700 L701 H702 R706 A707 L708	L52-L704 HydrophobicContact CD2-CD1 4.12Å; I700-L704 HydrophobicContact CG2-CD1 4.32Å; I700-L704 WeakPolarHBondContact O-CB 3.48Å; I700-L704 PolarHBondContact O-N 3.29Å; L701-L704 PolarHBondContact O-N 2.96Å; H702-L704 VanDerWaalsContact C-N 3.33Å; H702-L704 PolarHBondContact O-N 3.31Å; L704-R706 PolarHBondContact O-N 3.02Å; L704-A707 PolarHBondContact O-N 2.9Å; L704-L708 HydrophobicContact CD2-CD1 3.92Å; L704-L708 WeakPolarHBondContact O-CB 3.39Å; L704-L708 VanDerWaalsContact O-CD1 3.3Å; L704-L708 WeakPolarHBondContact O-CD1 3.49Å; L704-L708 WeakPolarHBondContact O-CG 3.29Å; L704-L708 PolarHBondContact O-N 3.24Å
705	N	47.6	Very low	47	Very low	104 Å²	104	77 Å²	77	56%	0.556	40%	0.401	S	S	*	.	H	α-helix	trans	-65.5	-36.6	177.5	-82.5	-30.6	0	0	0	112.8	L701 H702 L708 A709	L701-N705 WeakPolarHBondContact O-CB 3.33Å; L701-N705 PolarHBondContact O-N 3.36Å; L701-N705 PolarHBondContact O-ND2 3.35Å; H702-N705 PolarHBondContact O-N 2.82Å; N705-L708 PolarHBondContact O-N 2.93Å; N705-A709 WeakPolarHBondContact O-CB 3.37Å; N705-A709 PolarHBondContact O-N 2.77Å
706	R	54.4	Low	46.7	Very low	163 Å²	163	79.7 Å²	79.7	62%	0.615	41%	0.407	S	S	*	.	H	α-helix	trans	-68	-44.9	176.6	-172.8	176.1	177.6	164.2	-2.8	111.7	H702 N703 L704 L708 A709 N710	H702-R706 WeakPolarHBondContact O-CB 3.41Å; H702-R706 PolarHBondContact O-N 3.2Å; N703-R706 PolarHBondContact O-N 2.91Å; L704-R706 PolarHBondContact O-N 3.02Å; R706-L708 VanDerWaalsContact C-N 3.3Å; R706-L708 PolarHBondContact O-N 2.96Å; R706-A709 PolarHBondContact O-N 2.85Å; R706-N710 PolarHBondContact O-N 3.12Å; R706-N710 VanDerWaalsContact O-N 3.17Å
707	A	47.3	Very low	46.4	Very low	27 Å²	27	78.9 Å²	78.9	22%	0.223	41%	0.408	C	S	.	.	H	α-helix	trans	-58.7	-44.4	173.1	0	0	0	0	0	111	N703 L704 A709 N710 V711	N703-A707 WeakPolarHBondContact O-CB 3.41Å; N703-A707 PolarHBondContact O-N 2.96Å; L704-A707 PolarHBondContact O-N 2.9Å; A707-A709 PolarHBondContact O-N 2.84Å; A707-N710 PolarHBondContact O-N 3.15Å; A707-V711 WeakPolarHBondContact O-CG2 3.43Å; A707-V711 PolarHBondContact O-N 2.95Å; A707-V711 VanDerWaalsContact O-N 3.1Å
708	L	43.7	Very low	46.1	Very low	36 Å²	36	79.4 Å²	79.4	19%	0.188	41%	0.41	C	S	.	.	H	α-helix	trans	-64.5	-36	177.2	-76.2	164.1	0	0	0	114.2	L704 N705 R706 R712 L743	L704-L708 HydrophobicContact CD2-CD1 3.92Å; L704-L708 WeakPolarHBondContact O-CB 3.39Å; L704-L708 VanDerWaalsContact O-CD1 3.3Å; L704-L708 WeakPolarHBondContact O-CD1 3.49Å; L704-L708 WeakPolarHBondContact O-CG 3.29Å; L704-L708 PolarHBondContact O-N 3.24Å; N705-L708 PolarHBondContact O-N 2.93Å; R706-L708 VanDerWaalsContact C-N 3.3Å; R706-L708 PolarHBondContact O-N 2.96Å; L708-R712 WeakPolarHBondContact O-CB 3.3Å; L708-R712 PolarHBondContact O-N 2.74Å; L708-L743 HydrophobicContact CD2-CD2 3.86Å
709	A	45.1	Very low	46	Very low	46 Å²	46	79.8 Å²	79.8	38%	0.38	41%	0.414	S	S	.	.	H	α-helix	trans	-67.3	-40	177.2	0	0	0	0	0	111.4	N705 R706 A707 R712 N713	N705-A709 WeakPolarHBondContact O-CB 3.37Å; N705-A709 PolarHBondContact O-N 2.77Å; R706-A709 PolarHBondContact O-N 2.85Å; A707-A709 PolarHBondContact O-N 2.84Å; A709-R712 PolarHBondContact O-N 3.36Å; A709-N713 PolarHBondContact O-N 3.38Å; A709-N713 VanDerWaalsContact O-N 3.07Å
710	N	48.6	Very low	45.7	Very low	92 Å²	92	80.7 Å²	80.7	49%	0.492	43%	0.432	S	S	.	.	H	α-helix	trans	-63.5	-47.2	175.3	-67.1	-12.4	0	0	0	111	R706 A707 R712 N713 D714	R706-N710 PolarHBondContact O-N 3.12Å; R706-N710 VanDerWaalsContact O-N 3.17Å; A707-N710 PolarHBondContact O-N 3.15Å; N710-R712 VanDerWaalsContact C-N 3.31Å; N710-R712 PolarHBondContact O-N 3.11Å; N710-N713 PolarHBondContact O-N 2.68Å; N710-D714 PolarHBondContact O-N 3.42Å; N710-D714 VanDerWaalsContact O-N 3.12Å
711	V	42.3	Very low	45.3	Very low	44 Å²	44	86.4 Å²	86.4	27%	0.267	45%	0.448	S	S	.	.	H	α-helix	trans	-63.2	-33.7	177.5	175.7	0	0	0	0	112.6	L45 A707 S715	L45-V711 HydrophobicContact CD2-CG2 4.12Å; A707-V711 WeakPolarHBondContact O-CG2 3.43Å; A707-V711 PolarHBondContact O-N 2.95Å; A707-V711 VanDerWaalsContact O-N 3.1Å; V711-S715 WeakPolarHBondContact O-CB 3.37Å; V711-S715 PolarHBondContact O-N 3.22Å; V711-S715 PolarHBondContact O-OG 3.17Å
712	R	39.5	Very low	45.2	Very low	191 Å²	191	84.9 Å²	84.9	72%	0.721	44%	0.44	S	S	*	.	H	α-helix	trans	-69.3	-44.5	176	-102.6	-177.9	172.2	162.1	-3.4	112.8	L708 A709 N710 V716	L708-R712 WeakPolarHBondContact O-CB 3.3Å; L708-R712 PolarHBondContact O-N 2.74Å; A709-R712 PolarHBondContact O-N 3.36Å; N710-R712 VanDerWaalsContact C-N 3.31Å; N710-R712 PolarHBondContact O-N 3.11Å; R712-V716 WeakPolarHBondContact O-CG2 3.42Å; R712-V716 PolarHBondContact O-N 3.27Å
713	N	43.7	Very low	44.9	Very low	108 Å²	108	90.4 Å²	90.4	58%	0.578	46%	0.456	S	S	*	.	H	α-helix	trans	-68	-39.7	-178.3	-74.8	-19	0	0	0	111.7	A709 N710	A709-N713 PolarHBondContact O-N 3.38Å; A709-N713 VanDerWaalsContact O-N 3.07Å; N710-N713 PolarHBondContact O-N 2.68Å
714	D	44.5	Very low	44.6	Very low	92 Å²	92	98.9 Å²	98.9	49%	0.492	48%	0.484	S	S	.	.	H	α-helix	trans	-72.4	-36.3	-179.7	-69.7	-23.5	0	0	0	111.9	N710 M718	N710-D714 PolarHBondContact O-N 3.42Å; N710-D714 VanDerWaalsContact O-N 3.12Å; D714-M718 WeakPolarHBondContact O-CB 3.44Å; D714-M718 WeakPolarHBondContact O-CG 3.47Å; D714-M718 PolarHBondContact O-N 3Å; D714-M718 VanDerWaalsContact O-N 3.11Å
715	S	39.5	Very low	44.3	Very low	23 Å²	23	99.3 Å²	99.3	16%	0.161	49%	0.489	C	S	.	.	H	α-helix	trans	-80.7	-25.5	-177.1	64	0	0	0	0	116.2	V711 M718 G719 R740	V711-S715 WeakPolarHBondContact O-CB 3.37Å; V711-S715 PolarHBondContact O-N 3.22Å; V711-S715 PolarHBondContact O-OG 3.17Å; S715-M718 PolarHBondContact O-N 3.04Å; S715-G719 PolarHBondContact O-N 3.45Å; S715-R740 PolarHBondContact OG-NH2 3.08Å
716	V	41.2	Very low	44.5	Very low	108 Å²	108	99.7 Å²	99.7	66%	0.655	49%	0.491	S	S	*	.	H	α-helix	trans	-71.9	-35.3	172	172.8	0	0	0	0	110.8	R712 M718 S720	R712-V716 WeakPolarHBondContact O-CG2 3.42Å; R712-V716 PolarHBondContact O-N 3.27Å; V716-M718 VanDerWaalsContact C-N 3.3Å; V716-S720 PolarHBondContact O-OG 3.17Å
717	L	41.2	Very low	44	Very low	105 Å²	105	94.3 Å²	94.3	55%	0.55	49%	0.486	S	S	.	.	H	α-helix	trans	-67.6	-29.7	171.2	-112.2	124.4	0	0	0	112.6	S720	L717-S720 PolarHBondContact O-OG 3.45Å
718	M	40.6	Very low	44	Very low	62 Å²	62	96.7 Å²	96.7	31%	0.305	50%	0.501	S	S	.	.	H	α-helix	trans	-89.6	-39.5	-176.9	-70	-77.3	-115	0	0	113.4	F38 D714 S715 V716 S720 R721 L722	F38-M718 HydrophobicContact CE1-CE 3.69Å; F38-M718 HydrophobicContact CE2-CE 4.09Å; F38-M718 HydrophobicContact CZ-CE 3.35Å; F38-M718 HydrophobicContact CZ-SD 4.11Å; D714-M718 WeakPolarHBondContact O-CB 3.44Å; D714-M718 WeakPolarHBondContact O-CG 3.47Å; D714-M718 PolarHBondContact O-N 3Å; D714-M718 VanDerWaalsContact O-N 3.11Å; S715-M718 PolarHBondContact O-N 3.04Å; V716-M718 VanDerWaalsContact C-N 3.3Å; M718-S720 VanDerWaalsContact C-N 3.28Å; M718-S720 PolarHBondContact O-N 3.29Å; M718-R721 PolarHBondContact O-N 2.87Å; M718-R721 VanDerWaalsContact O-N 3.08Å; M718-L722 HydrophobicContact CB-CD1 4.44Å; M718-L722 PolarHBondContact O-N 2.98Å; M718-L722 VanDerWaalsContact O-N 3.13Å
719	G	42.3	Very low	44.1	Very low	40 Å²	40	95.8 Å²	95.8	41%	0.412	50%	0.497	S	S	.	.	H	α-helix	trans	-68.3	-24.4	178.6	0	0	0	0	0	114.1	S715	S715-G719 PolarHBondContact O-N 3.45Å
720	S	44.8	Very low	44.4	Very low	93 Å²	93	97.8 Å²	97.8	65%	0.65	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-21.8	172	47.4	0	0	0	0	112.9	V716 L717 M718	V716-S720 PolarHBondContact O-OG 3.17Å; L717-S720 PolarHBondContact O-OG 3.45Å; M718-S720 VanDerWaalsContact C-N 3.28Å; M718-S720 PolarHBondContact O-N 3.29Å
721	R	41.4	Very low	44.6	Very low	196 Å²	196	100.2 Å²	100.2	74%	0.74	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-23.2	-179.1	-73.9	-179.1	164.2	-174.2	-3.7	114.6	M718	M718-R721 PolarHBondContact O-N 2.87Å; M718-R721 VanDerWaalsContact O-N 3.08Å
722	L	45	Very low	45.2	Very low	30 Å²	30	100.7 Å²	100.7	16%	0.157	52%	0.516	C	S	.	.	S	Bend	trans	-106.1	1.1	-170	-76	153.9	0	0	0	116.2	F38 M718 R724 V729	F38-L722 HydrophobicContact CE1-CD1 4.42Å; F38-L722 HydrophobicContact CE2-CD1 3.51Å; F38-L722 HydrophobicContact CE2-CD2 4.46Å; F38-L722 HydrophobicContact CZ-CD1 3.25Å; M718-L722 HydrophobicContact CB-CD1 4.44Å; M718-L722 PolarHBondContact O-N 2.98Å; M718-L722 VanDerWaalsContact O-N 3.13Å; L722-R724 PolarHBondContact O-N 3.34Å; L722-V729 HydrophobicContact CB-CG1 4.5Å; L722-V729 HydrophobicContact CD2-CG1 4.1Å
723	R	47.5	Very low	46	Very low	230 Å²	230	94.5 Å²	94.5	87%	0.868	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	8.5	173.8	-86.2	-173.1	-175.1	-173.3	1.5	115
724	R	47.4	Very low	46.6	Very low	237 Å²	237	94.8 Å²	94.8	89%	0.894	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.1	6.9	-174.3	-70.9	-173.8	177.9	159.5	-0.7	115.3	L722	L722-R724 PolarHBondContact O-N 3.34Å
725	T	43.9	Very low	47.4	Very low	59 Å²	59	93.6 Å²	93.6	36%	0.362	49%	0.488	S	S	.	.	S	Bend	trans	-144.7	127.2	-172.3	50.3	0	0	0	0	113.9	V729	T725-V729 WeakPolarHBondContact O-CB 3.1Å
726	D	51.4	Low	48.3	Very low	111 Å²	111	94.1 Å²	94.1	59%	0.594	49%	0.489	S	S	*	.			trans	53.6	132.1	163.4	-93.2	-29.3	0	0	0	121.2	S728 V729 T730	D726-S728 PolarHBondContact O-N 3.43Å; D726-V729 HydrophobicContact CB-CG2 4.14Å; D726-V729 WeakPolarHBondContact O-CB 3.37Å; D726-V729 PolarHBondContact O-N 3.45Å; D726-V729 VanDerWaalsContact O-N 3.09Å; D726-T730 PolarHBondContact O-N 2.99Å; D726-T730 PolarHBondContact O-OG1 3.17Å
727	G	42.9	Very low	49.2	Very low	51 Å²	51	95.5 Å²	95.5	53%	0.526	48%	0.484	S	S	.	.	H	α-helix	trans	-61.7	-27.5	177.8	0	0	0	0	0	114.2	T730 M731	G727-T730 WeakPolarHBondContact O-CB 3.28Å; G727-T730 PolarHBondContact O-N 3.37Å; G727-M731 WeakPolarHBondContact O-CG 3.34Å; G727-M731 PolarHBondContact O-N 3.09Å
728	S	47.4	Very low	50.3	Low	76 Å²	76	96 Å²	96	53%	0.531	48%	0.483	S	S	.	.	H	α-helix	trans	-73	-33.2	174.5	44	0	0	0	0	112.9	D726 T730 L732	D726-S728 PolarHBondContact O-N 3.43Å; S728-T730 VanDerWaalsContact C-N 3.33Å; S728-L732 WeakPolarHBondContact O-CG 3.37Å; S728-L732 PolarHBondContact O-N 2.95Å; S728-L732 VanDerWaalsContact O-N 3.15Å
729	V	47.1	Very low	51.3	Low	18 Å²	18	95.9 Å²	95.9	11%	0.109	48%	0.483	C	S	.	.	H	α-helix	trans	-69.7	-36.8	169.5	179.1	0	0	0	0	109.9	L722 T725 D726 M731 L732 V733	L722-V729 HydrophobicContact CB-CG1 4.5Å; L722-V729 HydrophobicContact CD2-CG1 4.1Å; T725-V729 WeakPolarHBondContact O-CB 3.1Å; D726-V729 HydrophobicContact CB-CG2 4.14Å; D726-V729 WeakPolarHBondContact O-CB 3.37Å; D726-V729 PolarHBondContact O-N 3.45Å; D726-V729 VanDerWaalsContact O-N 3.09Å; V729-M731 VanDerWaalsContact C-N 3.35Å; V729-M731 PolarHBondContact O-N 3.39Å; V729-L732 PolarHBondContact O-N 3.45Å; V729-V733 HydrophobicContact CG1-CG2 4.35Å; V729-V733 WeakPolarHBondContact O-CB 3.37Å; V729-V733 VanDerWaalsContact O-CG2 3.23Å; V729-V733 WeakPolarHBondContact O-CG2 3.23Å; V729-V733 PolarHBondContact O-N 3.01Å
730	T	49.4	Very low	51.9	Low	88 Å²	88	97.7 Å²	97.7	54%	0.54	48%	0.478	S	S	.	.	H	α-helix	trans	-62.3	-41.7	175.7	-47.5	0	0	0	0	111.5	D726 G727 S728 V733 H734	D726-T730 PolarHBondContact O-N 2.99Å; D726-T730 PolarHBondContact O-OG1 3.17Å; G727-T730 WeakPolarHBondContact O-CB 3.28Å; G727-T730 PolarHBondContact O-N 3.37Å; S728-T730 VanDerWaalsContact C-N 3.33Å; T730-V733 PolarHBondContact O-N 2.74Å; T730-H734 WeakPolarHBondContact O-CB 3.36Å; T730-H734 PolarHBondContact O-N 2.97Å
731	M	53.9	Low	52.8	Low	143 Å²	143	95.9 Å²	95.9	70%	0.704	47%	0.468	S	S	*	.	H	α-helix	trans	-61.2	-45.9	172.2	-76.7	-106.3	-56	0	0	112.7	G727 V729 V733 H734 E735	G727-M731 WeakPolarHBondContact O-CG 3.34Å; G727-M731 PolarHBondContact O-N 3.09Å; V729-M731 VanDerWaalsContact C-N 3.35Å; V729-M731 PolarHBondContact O-N 3.39Å; M731-V733 VanDerWaalsContact C-N 3.32Å; M731-V733 PolarHBondContact O-N 3.3Å; M731-H734 WeakPolarHBondContact O-CB 3.02Å; M731-H734 PolarHBondContact O-N 3.38Å; M731-H734 VanDerWaalsContact O-N 3.14Å; M731-E735 PolarHBondContact O-N 2.96Å
732	L	54.1	Low	54	Low	53 Å²	53	91.1 Å²	91.1	28%	0.277	46%	0.455	S	S	.	.	H	α-helix	trans	-64.6	-37.3	177.5	-74.7	167	0	0	0	112.1	S728 V729 H734 N736	S728-L732 WeakPolarHBondContact O-CG 3.37Å; S728-L732 PolarHBondContact O-N 2.95Å; S728-L732 VanDerWaalsContact O-N 3.15Å; V729-L732 PolarHBondContact O-N 3.45Å; L732-H734 VanDerWaalsContact C-N 3.34Å; L732-N736 WeakPolarHBondContact O-CB 3.43Å; L732-N736 PolarHBondContact O-N 3.14Å
733	V	55.8	Low	54.7	Low	62 Å²	62	92.4 Å²	92.4	38%	0.376	46%	0.461	S	S	.	.	H	α-helix	trans	-64.7	-41.1	172.9	168.5	0	0	0	0	110.3	V729 T730 M731 N736 Y737	V729-V733 HydrophobicContact CG1-CG2 4.35Å; V729-V733 WeakPolarHBondContact O-CB 3.37Å; V729-V733 VanDerWaalsContact O-CG2 3.23Å; V729-V733 WeakPolarHBondContact O-CG2 3.23Å; V729-V733 PolarHBondContact O-N 3.01Å; T730-V733 PolarHBondContact O-N 2.74Å; M731-V733 VanDerWaalsContact C-N 3.32Å; M731-V733 PolarHBondContact O-N 3.3Å; V733-N736 WeakPolarHBondContact O-CB 3.49Å; V733-N736 PolarHBondContact O-N 2.87Å; V733-Y737 HydrophobicContact CG1-CD2 3.75Å; V733-Y737 HydrophobicContact CG1-CE2 3.46Å; V733-Y737 VanDerWaalsContact CG1-CE2 3.46Å; V733-Y737 WeakPolarHBondContact O-CD2 3.32Å; V733-Y737 PolarHBondContact O-N 3.45Å
734	H	57.5	Low	55.4	Low	113 Å²	113	86 Å²	86	52%	0.523	44%	0.444	S	S	.	.	H	α-helix	trans	-66	-46.5	177.8	-162.7	47.7	0	0	0	112.4	T730 M731 L732 N736 Y737 E738	T730-H734 WeakPolarHBondContact O-CB 3.36Å; T730-H734 PolarHBondContact O-N 2.97Å; M731-H734 WeakPolarHBondContact O-CB 3.02Å; M731-H734 PolarHBondContact O-N 3.38Å; M731-H734 VanDerWaalsContact O-N 3.14Å; L732-H734 VanDerWaalsContact C-N 3.34Å; H734-N736 PolarHBondContact O-N 3.36Å; H734-Y737 CarbonylContact O-C 3.59Å; H734-Y737 WeakPolarHBondContact O-CA 3.37Å; H734-Y737 WeakPolarHBondContact O-CB 3.22Å; H734-Y737 PolarHBondContact O-N 2.86Å; H734-E738 IonicContact NE2-OE1 2.74Å; H734-E738 PolarHBondContact O-N 3.05Å
735	E	60.9	Low	56.4	Low	67 Å²	67	83.9 Å²	83.9	31%	0.313	44%	0.436	S	S	.	.	H	α-helix	trans	-58.7	-37.1	173.6	-164.9	-178.6	171	0	0	110.6	R46 M731 E738 L739	R46-E735 IonicContact CZ-OE1 2.7Å; R46-E735 IonicContact NH2-OE1 3.16Å; R46-E735 PolarHBondContact NH2-OE1 2.85Å; R46-E735 IonicContact NH2-OE2 3.01Å; M731-E735 PolarHBondContact O-N 2.96Å; E735-E738 PolarHBondContact O-N 2.86Å; E735-L739 HydrophobicContact CG-CD1 4.47Å; E735-L739 WeakPolarHBondContact O-CB 3.33Å; E735-L739 VanDerWaalsContact O-CG 3.3Å; E735-L739 WeakPolarHBondContact O-CG 3.47Å; E735-L739 PolarHBondContact O-N 3.48Å
736	N	57.6	Low	57.3	Low	34 Å²	34	83.2 Å²	83.2	18%	0.182	43%	0.433	C	S	.	.	H	α-helix	trans	-65.2	-38.4	173.2	-148.1	-75.2	0	0	0	112.1	N42 L732 V733 H734 R740	N42-N736 PolarHBondContact OD1-ND2 3.15Å; L732-N736 WeakPolarHBondContact O-CB 3.43Å; L732-N736 PolarHBondContact O-N 3.14Å; V733-N736 WeakPolarHBondContact O-CB 3.49Å; V733-N736 PolarHBondContact O-N 2.87Å; H734-N736 PolarHBondContact O-N 3.36Å; N736-R740 WeakPolarHBondContact O-CB 3.31Å; N736-R740 WeakPolarHBondContact O-CD 3.33Å; N736-R740 WeakPolarHBondContact O-CG 3.27Å; N736-R740 PolarHBondContact O-N 2.86Å; N736-R740 VanDerWaalsContact O-N 3.07Å; N736-R740 PolarHBondContact OD1-NE 3.13Å; N736-R740 PolarHBondContact OD1-NH2 3.26Å
737	Y	60.1	Low	57.4	Low	138 Å²	138	81.9 Å²	81.9	54%	0.541	42%	0.422	S	S	.	.	H	α-helix	trans	-66.6	-40	174	-83.4	-70.8	0	0	0	112.7	V733 H734 R740 A741	V733-Y737 HydrophobicContact CG1-CD2 3.75Å; V733-Y737 HydrophobicContact CG1-CE2 3.46Å; V733-Y737 VanDerWaalsContact CG1-CE2 3.46Å; V733-Y737 WeakPolarHBondContact O-CD2 3.32Å; V733-Y737 PolarHBondContact O-N 3.45Å; H734-Y737 CarbonylContact O-C 3.59Å; H734-Y737 WeakPolarHBondContact O-CA 3.37Å; H734-Y737 WeakPolarHBondContact O-CB 3.22Å; H734-Y737 PolarHBondContact O-N 2.86Å; Y737-R740 WeakPolarHBondContact O-CB 3.35Å; Y737-R740 PolarHBondContact O-N 3.38Å; Y737-A741 PolarHBondContact O-N 3.35Å
738	E	66.1	Low	58.4	Low	115 Å²	115	80.9 Å²	80.9	54%	0.537	41%	0.412	S	S	.	.	H	α-helix	trans	-66.3	-46.8	177.4	-70.3	-173.1	153.4	0	0	111.6	H734 E735 R740 A741 E742	H734-E738 IonicContact NE2-OE1 2.74Å; H734-E738 PolarHBondContact O-N 3.05Å; E735-E738 PolarHBondContact O-N 2.86Å; E738-R740 PolarHBondContact O-N 2.84Å; E738-A741 WeakPolarHBondContact O-CB 3.31Å; E738-A741 PolarHBondContact O-N 2.97Å; E738-E742 PolarHBondContact O-N 3.12Å
739	L	61.5	Low	59.3	Low	60 Å²	60	82.2 Å²	82.2	31%	0.314	41%	0.413	S	S	.	.	H	α-helix	trans	-58.6	-36.1	174.3	-71.9	169.9	0	0	0	111.5	E735 L743	E735-L739 HydrophobicContact CG-CD1 4.47Å; E735-L739 WeakPolarHBondContact O-CB 3.33Å; E735-L739 VanDerWaalsContact O-CG 3.3Å; E735-L739 WeakPolarHBondContact O-CG 3.47Å; E735-L739 PolarHBondContact O-N 3.48Å; L739-L743 VanDerWaalsContact O-CB 3.28Å; L739-L743 WeakPolarHBondContact O-CB 3.33Å; L739-L743 PolarHBondContact O-N 3.17Å
740	R	53.4	Low	59.6	Low	78 Å²	78	84 Å²	84	29%	0.294	42%	0.421	S	S	.	.	H	α-helix	trans	-67.2	-39.6	172.9	-74	165.6	-169.9	-137.2	-9.9	112.8	S715 N736 Y737 E738 L743 N744	S715-R740 PolarHBondContact OG-NH2 3.08Å; N736-R740 WeakPolarHBondContact O-CB 3.31Å; N736-R740 WeakPolarHBondContact O-CD 3.33Å; N736-R740 WeakPolarHBondContact O-CG 3.27Å; N736-R740 PolarHBondContact O-N 2.86Å; N736-R740 VanDerWaalsContact O-N 3.07Å; N736-R740 PolarHBondContact OD1-NE 3.13Å; N736-R740 PolarHBondContact OD1-NH2 3.26Å; Y737-R740 WeakPolarHBondContact O-CB 3.35Å; Y737-R740 PolarHBondContact O-N 3.38Å; E738-R740 PolarHBondContact O-N 2.84Å; R740-L743 PolarHBondContact O-N 2.83Å; R740-N744 WeakPolarHBondContact O-CB 3.45Å; R740-N744 VanDerWaalsContact O-CG 3.27Å; R740-N744 PolarHBondContact O-N 3.49Å; R740-N744 PolarHBondContact O-ND2 3.16Å
741	A	64.7	Low	59.9	Low	55 Å²	55	86.3 Å²	86.3	46%	0.455	42%	0.424	S	S	.	.	H	α-helix	trans	-65	-42.4	177.8	0	0	0	0	0	110.8	Y737 E738 N744 R745	Y737-A741 PolarHBondContact O-N 3.35Å; E738-A741 WeakPolarHBondContact O-CB 3.31Å; E738-A741 PolarHBondContact O-N 2.97Å; A741-N744 PolarHBondContact O-N 3.2Å; A741-R745 PolarHBondContact O-N 3.02Å
742	E	67.2	Low	60.2	Low	96 Å²	96	84 Å²	84	45%	0.449	42%	0.415	S	S	.	.	H	α-helix	trans	-68.1	-39.5	177	-158.6	173.8	145	0	0	112	K53 E738 N744 R745 C746	K53-E742 IonicContact NZ-OE1 3.47Å; K53-E742 PolarHBondContact NZ-OE1 3.24Å; E738-E742 PolarHBondContact O-N 3.12Å; E742-N744 VanDerWaalsContact C-N 3.31Å; E742-N744 PolarHBondContact O-N 3.2Å; E742-R745 PolarHBondContact O-N 3.23Å; E742-C746 PolarHBondContact O-N 3.25Å; E742-C746 PolarHBondContact O-SG 2.91Å
743	L	59.3	Low	60.3	Low	56 Å²	56	85.7 Å²	85.7	29%	0.293	42%	0.42	S	S	.	.	H	α-helix	trans	-61.1	-39.6	172.6	-167.9	76.3	0	0	0	111.9	L708 L739 R740 C746 K747	L708-L743 HydrophobicContact CD2-CD2 3.86Å; L739-L743 VanDerWaalsContact O-CB 3.28Å; L739-L743 WeakPolarHBondContact O-CB 3.33Å; L739-L743 PolarHBondContact O-N 3.17Å; R740-L743 PolarHBondContact O-N 2.83Å; L743-C746 PolarHBondContact O-N 3.5Å; L743-K747 WeakPolarHBondContact O-CG 3.4Å; L743-K747 PolarHBondContact O-N 3.23Å
744	N	61.4	Low	59.9	Low	95 Å²	95	86.5 Å²	86.5	51%	0.508	42%	0.42	S	S	.	.	H	α-helix	trans	-70.6	-35	176.2	-75.3	-28	0	0	0	112.7	R740 A741 E742 K747 G748	R740-N744 WeakPolarHBondContact O-CB 3.45Å; R740-N744 VanDerWaalsContact O-CG 3.27Å; R740-N744 PolarHBondContact O-N 3.49Å; R740-N744 PolarHBondContact O-ND2 3.16Å; A741-N744 PolarHBondContact O-N 3.2Å; E742-N744 VanDerWaalsContact C-N 3.31Å; E742-N744 PolarHBondContact O-N 3.2Å; N744-K747 WeakPolarHBondContact O-CB 3.45Å; N744-K747 PolarHBondContact O-N 3.28Å; N744-G748 PolarHBondContact O-N 3.16Å
745	R	68.7	Low	59.7	Low	194 Å²	194	86.3 Å²	86.3	73%	0.732	42%	0.422	S	S	*	.	H	α-helix	trans	-60.7	-49	169.8	-83.2	-170.5	-166	176.8	6.1	111.2	A741 E742 K747 G748 D749	A741-R745 PolarHBondContact O-N 3.02Å; E742-R745 PolarHBondContact O-N 3.23Å; R745-K747 PolarHBondContact O-N 3.45Å; R745-G748 WeakPolarHBondContact O-CA 3.47Å; R745-G748 PolarHBondContact O-N 2.96Å; R745-D749 PolarHBondContact O-N 3.49Å
746	C	62	Low	59.4	Low	44 Å²	44	89.4 Å²	89.4	30%	0.297	44%	0.436	S	S	.	.	H	α-helix	trans	-56.2	-38.7	177	-64.8	0	0	0	0	111.5	E742 L743 L750	E742-C746 PolarHBondContact O-N 3.25Å; E742-C746 PolarHBondContact O-SG 2.91Å; L743-C746 PolarHBondContact O-N 3.5Å; C746-L750 WeakPolarHBondContact O-CB 3.41Å; C746-L750 PolarHBondContact O-N 3.4Å
747	K	54.9	Low	59	Low	83 Å²	83	93.6 Å²	93.6	36%	0.361	46%	0.458	S	S	.	.	H	α-helix	trans	-64.6	-42.2	172.5	-76.6	177.9	179.2	172.4	0	113.6	L743 N744 R745 K751	L743-K747 WeakPolarHBondContact O-CG 3.4Å; L743-K747 PolarHBondContact O-N 3.23Å; N744-K747 WeakPolarHBondContact O-CB 3.45Å; N744-K747 PolarHBondContact O-N 3.28Å; R745-K747 PolarHBondContact O-N 3.45Å; K747-K751 VanDerWaalsContact O-CB 3.25Å; K747-K751 WeakPolarHBondContact O-CB 3.23Å; K747-K751 PolarHBondContact O-N 3.45Å
748	G	63.4	Low	58.4	Low	30 Å²	30	90.2 Å²	90.2	31%	0.309	45%	0.451	S	S	.	.	H	α-helix	trans	-61.5	-46.5	177.7	0	0	0	0	0	111.6	N744 R745 K751 N752	N744-G748 PolarHBondContact O-N 3.16Å; R745-G748 WeakPolarHBondContact O-CA 3.47Å; R745-G748 PolarHBondContact O-N 2.96Å; G748-K751 PolarHBondContact O-N 3.3Å; G748-N752 WeakPolarHBondContact O-CB 3.4Å; G748-N752 VanDerWaalsContact O-CG 3.28Å; G748-N752 PolarHBondContact O-N 3.04Å; G748-N752 PolarHBondContact O-ND2 3.06Å
749	D	66.1	Low	57.3	Low	105 Å²	105	86.1 Å²	86.1	56%	0.561	44%	0.441	S	S	*	.	H	α-helix	trans	-65.6	-40.9	179.1	-65.4	-22.4	0	0	0	111.8	R745 N752 K753	R745-D749 PolarHBondContact O-N 3.49Å; D749-N752 PolarHBondContact O-N 3.31Å; D749-K753 PolarHBondContact O-N 3.09Å
750	L	53	Low	56.3	Low	54 Å²	54	88.6 Å²	88.6	28%	0.283	45%	0.454	S	S	.	.	H	α-helix	trans	-64.5	-42.7	175.6	-136.4	99.4	0	0	0	111.7	L56 I61 C746 N752 K753 Q754	L56-L750 HydrophobicContact CD2-CD1 3.72Å; I61-L750 HydrophobicContact CD1-CD1 4.18Å; I61-L750 HydrophobicContact CG2-CD1 3.66Å; C746-L750 WeakPolarHBondContact O-CB 3.41Å; C746-L750 PolarHBondContact O-N 3.4Å; L750-N752 VanDerWaalsContact C-N 3.33Å; L750-K753 PolarHBondContact O-N 3.24Å; L750-Q754 WeakPolarHBondContact O-CB 3.35Å; L750-Q754 PolarHBondContact O-N 2.87Å
751	K	56.2	Low	55.7	Low	137 Å²	137	88 Å²	88	60%	0.596	46%	0.462	S	S	*	.	H	α-helix	trans	-64.7	-38.2	177.6	-171.1	179.2	-179.4	-175.8	0	111.4	K747 G748 Q754 L755	K747-K751 VanDerWaalsContact O-CB 3.25Å; K747-K751 WeakPolarHBondContact O-CB 3.23Å; K747-K751 PolarHBondContact O-N 3.45Å; G748-K751 PolarHBondContact O-N 3.3Å; K751-Q754 PolarHBondContact O-N 2.88Å; K751-L755 HydrophobicContact CG-CD1 4.36Å; K751-L755 WeakPolarHBondContact O-CB 3.49Å; K751-L755 WeakPolarHBondContact O-CG 3.41Å; K751-L755 PolarHBondContact O-N 3.3Å
752	N	59.8	Low	54.4	Low	95 Å²	95	92.5 Å²	92.5	51%	0.508	47%	0.471	S	S	.	.	H	α-helix	trans	-66.2	-42.3	174.7	-74.6	-20.4	0	0	0	111.8	G748 D749 L750 Q754 L755 Q756	G748-N752 WeakPolarHBondContact O-CB 3.4Å; G748-N752 VanDerWaalsContact O-CG 3.28Å; G748-N752 PolarHBondContact O-N 3.04Å; G748-N752 PolarHBondContact O-ND2 3.06Å; D749-N752 PolarHBondContact O-N 3.31Å; L750-N752 VanDerWaalsContact C-N 3.33Å; N752-Q754 VanDerWaalsContact C-N 3.35Å; N752-L755 PolarHBondContact O-N 3.31Å; N752-Q756 PolarHBondContact O-N 3.37Å
753	K	56.5	Low	52.8	Low	88 Å²	88	96.3 Å²	96.3	38%	0.383	48%	0.482	S	S	.	.	H	α-helix	trans	-62.5	-40.2	171.1	-95.4	-174.5	174.8	-179.6	0	112	I61 D749 L750 Q756 L757	I61-K753 HydrophobicContact CG2-CD 4.45Å; I61-K753 PolarHBondContact O-NZ 2.91Å; D749-K753 PolarHBondContact O-N 3.09Å; L750-K753 PolarHBondContact O-N 3.24Å; K753-Q756 PolarHBondContact O-N 2.87Å; K753-L757 WeakPolarHBondContact O-CB 3.34Å; K753-L757 VanDerWaalsContact O-CG 3.32Å; K753-L757 WeakPolarHBondContact O-CG 3.15Å; K753-L757 PolarHBondContact O-N 3.01Å
754	Q	47.4	Very low	51.6	Low	80 Å²	80	97.6 Å²	97.6	37%	0.374	49%	0.492	S	S	.	.	H	α-helix	trans	-65.6	-38.6	177.5	-154.4	173.7	17.2	0	0	111.6	L750 K751 N752 L757 V758	L750-Q754 WeakPolarHBondContact O-CB 3.35Å; L750-Q754 PolarHBondContact O-N 2.87Å; K751-Q754 PolarHBondContact O-N 2.88Å; N752-Q754 VanDerWaalsContact C-N 3.35Å; Q754-L757 PolarHBondContact O-N 3.1Å; Q754-V758 VanDerWaalsContact O-CB 3.3Å; Q754-V758 WeakPolarHBondContact O-CB 3.5Å; Q754-V758 WeakPolarHBondContact O-CG2 3.43Å; Q754-V758 PolarHBondContact O-N 2.9Å
755	L	52.8	Low	50.3	Low	108 Å²	108	99.3 Å²	99.3	57%	0.565	50%	0.497	S	S	*	.	H	α-helix	trans	-66.4	-37.7	172.1	-78.2	162.5	0	0	0	112.4	K751 N752 G759	K751-L755 HydrophobicContact CG-CD1 4.36Å; K751-L755 WeakPolarHBondContact O-CB 3.49Å; K751-L755 WeakPolarHBondContact O-CG 3.41Å; K751-L755 PolarHBondContact O-N 3.3Å; N752-L755 PolarHBondContact O-N 3.31Å; L755-G759 WeakPolarHBondContact O-CA 3.47Å; L755-G759 PolarHBondContact O-N 2.81Å
756	Q	54.4	Low	48.7	Very low	132 Å²	132	100.4 Å²	100.4	62%	0.617	50%	0.501	S	S	*	.	H	α-helix	trans	-65.7	-42.9	173.1	-79.1	179.4	-10	0	0	112	N752 K753 N760	N752-Q756 PolarHBondContact O-N 3.37Å; K753-Q756 PolarHBondContact O-N 2.87Å; Q756-N760 WeakPolarHBondContact O-CB 3.31Å; Q756-N760 PolarHBondContact O-N 3.48Å; Q756-N760 PolarHBondContact O-ND2 2.6Å
757	L	49.7	Very low	47.4	Very low	122 Å²	122	103.5 Å²	103.5	64%	0.639	51%	0.512	S	S	*	.	H	α-helix	trans	-70.5	-39	179.4	-70.2	168.1	0	0	0	112.5	K753 Q754 S761	K753-L757 WeakPolarHBondContact O-CB 3.34Å; K753-L757 VanDerWaalsContact O-CG 3.32Å; K753-L757 WeakPolarHBondContact O-CG 3.15Å; K753-L757 PolarHBondContact O-N 3.01Å; Q754-L757 PolarHBondContact O-N 3.1Å; L757-S761 WeakPolarHBondContact O-CB 3.5Å; L757-S761 PolarHBondContact O-N 2.93Å
758	V	47.8	Very low	46.6	Very low	67 Å²	67	103.2 Å²	103.2	41%	0.406	52%	0.517	S	S	.	.	H	α-helix	trans	-75.6	-33.6	175.7	173.8	0	0	0	0	111.9	Q754 S761 K762	Q754-V758 VanDerWaalsContact O-CB 3.3Å; Q754-V758 WeakPolarHBondContact O-CB 3.5Å; Q754-V758 WeakPolarHBondContact O-CG2 3.43Å; Q754-V758 PolarHBondContact O-N 2.9Å; V758-S761 PolarHBondContact O-N 2.85Å; V758-S761 PolarHBondContact O-OG 2.76Å; V758-K762 WeakPolarHBondContact O-CB 3.46Å; V758-K762 PolarHBondContact O-N 3.18Å
759	G	43.1	Very low	45.2	Very low	30 Å²	30	106.3 Å²	106.3	31%	0.309	53%	0.533	S	S	.	.	H	α-helix	trans	-60.3	-47.6	169.6	0	0	0	0	0	110.6	L755 Y763	L755-G759 WeakPolarHBondContact O-CA 3.47Å; L755-G759 PolarHBondContact O-N 2.81Å; G759-Y763 VanDerWaalsContact O-CD2 3.31Å; G759-Y763 WeakPolarHBondContact O-CD2 3.1Å; G759-Y763 PolarHBondContact O-N 3.41Å
760	N	41.2	Very low	43.7	Very low	111 Å²	111	103.6 Å²	103.6	59%	0.594	53%	0.529	S	S	*	.	H	α-helix	trans	-68.7	-35.7	177.2	-69.6	-11.3	0	0	0	112.4	Q756 V764	Q756-N760 WeakPolarHBondContact O-CB 3.31Å; Q756-N760 PolarHBondContact O-N 3.48Å; Q756-N760 PolarHBondContact O-ND2 2.6Å; N760-V764 WeakPolarHBondContact O-CB 3.45Å; N760-V764 WeakPolarHBondContact O-CG2 3.49Å; N760-V764 PolarHBondContact O-N 2.85Å
761	S	40	Very low	42.7	Very low	65 Å²	65	107.1 Å²	107.1	46%	0.455	54%	0.544	S	S	.	.	H	α-helix	trans	-74.2	-33.3	179.2	84.5	0	0	0	0	113.6	L757 V758 V764 H765	L757-S761 WeakPolarHBondContact O-CB 3.5Å; L757-S761 PolarHBondContact O-N 2.93Å; V758-S761 PolarHBondContact O-N 2.85Å; V758-S761 PolarHBondContact O-OG 2.76Å; S761-V764 PolarHBondContact O-N 3.49Å; S761-H765 VanDerWaalsContact O-CB 3.24Å; S761-H765 WeakPolarHBondContact O-CB 3.34Å; S761-H765 PolarHBondContact O-N 3.17Å
762	K	38.1	Very low	41.7	Very low	150 Å²	150	106.3 Å²	106.3	65%	0.652	55%	0.55	S	S	*	*	H	α-helix	trans	-71.2	-30	174.5	-83	-175.3	176.1	-179.4	0	113.1	V758 R766	V758-K762 WeakPolarHBondContact O-CB 3.46Å; V758-K762 PolarHBondContact O-N 3.18Å; K762-R766 WeakPolarHBondContact O-CB 3.43Å; K762-R766 PolarHBondContact O-N 3Å
763	Y	32.7	Very low	40.3	Very low	176 Å²	176	111.6 Å²	111.6	69%	0.69	57%	0.569	S	S	*	*	H	α-helix	trans	-78.9	-36.9	172.4	-82.7	-80.8	0	0	0	112.3	G759 Q767	G759-Y763 VanDerWaalsContact O-CD2 3.31Å; G759-Y763 WeakPolarHBondContact O-CD2 3.1Å; G759-Y763 PolarHBondContact O-N 3.41Å; Y763-Q767 VanDerWaalsContact O-CB 3.31Å; Y763-Q767 WeakPolarHBondContact O-CB 3.34Å; Y763-Q767 WeakPolarHBondContact O-CG 3.49Å; Y763-Q767 PolarHBondContact O-N 2.96Å
764	V	34.6	Very low	39	Very low	83 Å²	83	113.4 Å²	113.4	50%	0.503	59%	0.587	S	S	.	*	H	α-helix	trans	-70.1	-35.8	175.3	173.8	0	0	0	0	111.6	N760 S761 T768	N760-V764 WeakPolarHBondContact O-CB 3.45Å; N760-V764 WeakPolarHBondContact O-CG2 3.49Å; N760-V764 PolarHBondContact O-N 2.85Å; S761-V764 PolarHBondContact O-N 3.49Å; V764-T768 HydrophobicContact CG1-CG2 4.45Å; V764-T768 WeakPolarHBondContact O-CB 3.3Å; V764-T768 WeakPolarHBondContact O-CG2 3.45Å; V764-T768 PolarHBondContact O-N 3.16Å; V764-T768 PolarHBondContact O-OG1 3.07Å
765	H	34.2	Very low	38.2	Very low	132 Å²	132	113.8 Å²	113.8	61%	0.611	61%	0.605	S	S	*	*	H	α-helix	trans	-80.2	-25.3	179.4	-142.3	19.6	0	0	0	113.6	S761 T768 C769	S761-H765 VanDerWaalsContact O-CB 3.24Å; S761-H765 WeakPolarHBondContact O-CB 3.34Å; S761-H765 PolarHBondContact O-N 3.17Å; H765-T768 WeakPolarHBondContact CA-OG1 3.26Å; H765-C769 WeakPolarHBondContact O-CB 3.36Å; H765-C769 PolarHBondContact O-N 2.85Å
766	R	34.3	Very low	37.2	Very low	216 Å²	216	116.6 Å²	116.6	82%	0.815	62%	0.62	S	S	*	*	H	α-helix	trans	-79.4	-30	167.3	-97.8	-175.5	171.9	-176.8	-2.8	113.3	K762 G770	K762-R766 WeakPolarHBondContact O-CB 3.43Å; K762-R766 PolarHBondContact O-N 3Å; R766-G770 WeakPolarHBondContact O-CA 3.46Å; R766-G770 PolarHBondContact O-N 2.93Å
767	Q	35.3	Very low	36.1	Very low	110 Å²	110	119 Å²	119	51%	0.514	63%	0.631	S	S	.	*	H	α-helix	trans	-73.6	-39.9	172.3	-82.1	177.4	-29.4	0	0	111.8	Y763 Q771	Y763-Q767 VanDerWaalsContact O-CB 3.31Å; Y763-Q767 WeakPolarHBondContact O-CB 3.34Å; Y763-Q767 WeakPolarHBondContact O-CG 3.49Å; Y763-Q767 PolarHBondContact O-N 2.96Å; Q767-Q771 WeakPolarHBondContact O-CB 3.05Å; Q767-Q771 VanDerWaalsContact O-CG 3.24Å; Q767-Q771 WeakPolarHBondContact O-CG 3.45Å; Q767-Q771 PolarHBondContact O-N 3.08Å; Q767-Q771 VanDerWaalsContact O-N 3.14Å; Q767-Q771 PolarHBondContact O-OE1 3.42Å
768	T	38.1	Very low	35.2	Very low	77 Å²	77	121.3 Å²	121.3	47%	0.472	64%	0.642	S	S	.	*	H	α-helix	trans	-77.8	-27.7	-179.6	47.5	0	0	0	0	114.6	V764 H765	V764-T768 HydrophobicContact CG1-CG2 4.45Å; V764-T768 WeakPolarHBondContact O-CB 3.3Å; V764-T768 WeakPolarHBondContact O-CG2 3.45Å; V764-T768 PolarHBondContact O-N 3.16Å; V764-T768 PolarHBondContact O-OG1 3.07Å; H765-T768 WeakPolarHBondContact CA-OG1 3.26Å
769	C	34.7	Very low	34.6	Very low	95 Å²	95	126.4 Å²	126.4	64%	0.642	66%	0.662	S	S	*	*	H	α-helix	trans	-95.8	-9.5	173.5	-67.1	0	0	0	0	113.9	H765	H765-C769 WeakPolarHBondContact O-CB 3.36Å; H765-C769 PolarHBondContact O-N 2.85Å
770	G	33.2	Very low	34.3	Very low	47 Å²	47	132.8 Å²	132.8	49%	0.485	69%	0.689	S	S	.	*	H	α-helix	trans	-97.8	-14.1	174.7	0	0	0	0	0	114.6	R766	R766-G770 WeakPolarHBondContact O-CA 3.46Å; R766-G770 PolarHBondContact O-N 2.93Å
771	Q	33.7	Very low	33.9	Very low	128 Å²	128	131 Å²	131	60%	0.598	70%	0.697	S	S	*	*	S	Bend	trans	-97.8	3.7	-178.2	-75.5	-179	-38.9	0	0	115.1	Q767	Q767-Q771 WeakPolarHBondContact O-CB 3.05Å; Q767-Q771 VanDerWaalsContact O-CG 3.24Å; Q767-Q771 WeakPolarHBondContact O-CG 3.45Å; Q767-Q771 PolarHBondContact O-N 3.08Å; Q767-Q771 VanDerWaalsContact O-N 3.14Å; Q767-Q771 PolarHBondContact O-OE1 3.42Å
772	V	33.5	Very low	33.5	Very low	120 Å²	120	137.9 Å²	137.9	73%	0.727	71%	0.714	S	S	*	*	S	Bend	trans	-94.3	2.3	175.7	-173.3	0	0	0	0	112.8
773	F	30.9	Very low	33.4	Very low	206 Å²	206	139.4 Å²	139.4	90%	0.904	72%	0.724	S	S	*	*	S	Bend	trans	-112	11.6	169.2	-95.5	-81.8	0	0	0	114.3
774	V	30.1	Very low	33.4	Very low	126 Å²	126	134.6 Å²	134.6	76%	0.764	73%	0.728	S	S	*	*	S	Bend	trans	-139.7	68.8	173.6	-170.9	0	0	0	0	108.9
775	A	30	Very low	33.4	Very low	89 Å²	89	137.1 Å²	137.1	74%	0.736	75%	0.749	S	S	*	*			trans	-151.9	55.3	167.5	0	0	0	0	0	109.2
776	D	31.1	Very low	33.4	Very low	167 Å²	167	135.7 Å²	135.7	89%	0.893	75%	0.753	S	S	*	*	S	Bend	trans	-140.3	20.1	169.8	-129.6	13.3	0	0	0	111.6
777	Q	31.5	Very low	33.5	Very low	181 Å²	181	136.5 Å²	136.5	85%	0.846	76%	0.756	S	S	*	*			trans	-146.3	57.7	179.4	-75.3	-168.6	-6.2	0	0	112
778	I	31.3	Very low	33.6	Very low	171 Å²	171	142.5 Å²	142.5	88%	0.877	77%	0.774	S	S	*	*			trans	-144.8	73	157.7	-49.5	178.2	0	0	0	108.1
779	E	36	Very low	33.5	Very low	175 Å²	175	144.1 Å²	144.1	82%	0.818	80%	0.796	S	S	*	*	S	Bend	trans	-151.6	123.1	154.1	-117.1	174.3	-169.9	0	0	108.2
780	N	36	Very low	33.6	Very low	163 Å²	163	143 Å²	143	87%	0.872	80%	0.8	S	S	*	*			trans	91.9	115.6	171.3	-50	-34.4	0	0	0	118.3
781	G	32.1	Very low	33.9	Very low	74 Å²	74	150 Å²	150	76%	0.763	82%	0.817	S	S	*	*			trans	121.7	75.6	138	0	0	0	0	0	118.3
782	Y	31.8	Very low	34.1	Very low	209 Å²	209	149.6 Å²	149.6	82%	0.82	82%	0.823	S	S	*	*			trans	17.8	128.5	134.8	-91.9	-93	0	0	0	121.5
783	H	35.6	Very low	34.3	Very low	183 Å²	183	152.9 Å²	152.9	85%	0.847	83%	0.828	S	S	*	*			trans	127.5	125.6	132.7	-72	-61.7	0	0	0	114.9
784	G	34	Very low	34.4	Very low	75 Å²	75	151.7 Å²	151.7	77%	0.773	82%	0.824	S	S	*	*			trans	146.7	56.4	150.7	0	0	0	0	0	120.5
785	S	33.3	Very low	34.8	Very low	135 Å²	135	154.9 Å²	154.9	94%	0.944	83%	0.831	S	S	*	*			trans	66.9	154.1	143.1	-163.7	0	0	0	0	122
786	S	34.4	Very low	35.3	Very low	102 Å²	102	160.1 Å²	160.1	71%	0.713	84%	0.837	S	S	*	*			trans	-119.3	145	-160.7	165.3	0	0	0	0	112.3
787	R	38	Very low	35.7	Very low	233 Å²	233	164 Å²	164	88%	0.879	86%	0.856	S	S	*	*			trans	-177.9	139.5	143.5	-104.6	163.9	-173.1	-141.5	1.3	114.6
788	R	36.8	Very low	35.9	Very low	236 Å²	236	163.1 Å²	163.1	89%	0.891	86%	0.857	S	S	*	*			trans	85	98.6	164.4	-63.6	-180	-178.4	-173.5	0.8	116
789	A	35.5	Very low	36.1	Very low	111 Å²	111	162.7 Å²	162.7	92%	0.917	86%	0.856	S	S	*	*				79.4	118.3	53.9	0	0	0	0	0	115
790	G	36.8	Very low	36.1	Very low	71 Å²	71	162 Å²	162	73%	0.732	86%	0.858	S	S	*	*			trans	154.9	69.8	168.7	0	0	0	0	0	112.4
791	K	39.7	Very low	36.1	Very low	194 Å²	194	161.9 Å²	161.9	84%	0.843	86%	0.857	S	S	*	*				61	107	102.9	-78.8	-166.2	178.1	177.5	0	115.3
792	V	37.1	Very low	36.4	Very low	120 Å²	120	167.4 Å²	167.4	73%	0.727	86%	0.863	S	S	*	*				94.4	130.8	93.2	167.7	0	0	0	0	110.6
793	K	38.3	Very low	36.7	Very low	189 Å²	189	164.7 Å²	164.7	82%	0.822	87%	0.866	S	S	*	*			cis	-151.3	150.6	37.8	-70.1	179.6	174.9	177.2	0	112.5
794	H	32.9	Very low	36.8	Very low	181 Å²	181	163.4 Å²	163.4	84%	0.838	87%	0.867	S	S	*	*			trans	-76.7	147.9	153.5	-84.6	-85.1	0	0	0	111.3
795	H	38	Very low	37	Very low	194 Å²	194	170.2 Å²	170.2	90%	0.898	87%	0.874	S	S	*	*			trans	-131.5	135.5	144.5	-101.4	-29.1	0	0	0	111
796	K	40.6	Very low	37.3	Very low	199 Å²	199	173.1 Å²	173.1	87%	0.865	87%	0.868	S	S	*	*			trans	-76	139	-178.1	-71.5	173.9	169.3	-178.9	0	110.9
797	L	39.5	Very low	37.6	Very low	247 Å²	247	179.5 Å²	179.5	100%	1.293	88%	0.882	S	S	*	*				-148.4	0	111.9	-104.1	162.7	0	0	0	108.1

Retrieved 797 of 797 residues in 879.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).