A0A5K4F1C2_SCHMA Loading...

Zinc finger protein

AlphaFold DB , UniProt , Accession A0A5K4F1C2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 633 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.3	Very low	29	Very low	233 Å²	233	147.5 Å²	147.5	100%	1.148	84%	0.844	S	S	*	*				0	90.8	0	-59.3	-179.9	100.8	0	0	105.5
2	S	28.3	Very low	29	Very low	98 Å²	98	144.3 Å²	144.3	69%	0.685	83%	0.829	S	S	*	*				69.7	133.4	102.2	61.4	0	0	0	0	112.4
3	N	28.8	Very low	28.8	Very low	155 Å²	155	143.8 Å²	143.8	83%	0.829	82%	0.823	S	S	*	*			cis	-172.2	134.6	-6.4	-99.2	-23.6	0	0	0	105.8
4	N	28.3	Very low	28.6	Very low	163 Å²	163	148.9 Å²	148.9	87%	0.872	82%	0.824	S	S	*	*			trans	51.3	157	143.7	-97.2	11.5	0	0	0	125.9
5	P	37.7	Very low	28.8	Very low	96 Å²	96	146.8 Å²	146.8	62%	0.623	82%	0.817	S	S	*	*			trans	-110.4	169.7	-157.1	43.5	-34.4	0	0	0	114.7
6	D	25.9	Very low	28.9	Very low	173 Å²	173	144.3 Å²	144.3	93%	0.925	80%	0.802	S	S	*	*			trans	171.4	144.1	139.1	-90.2	-24.7	0	0	0	109.8
7	G	28.9	Very low	29	Very low	83 Å²	83	142.8 Å²	142.8	86%	0.856	79%	0.792	S	S	*	*			trans	153.2	104.7	171.1	0	0	0	0	0	115.6
8	C	23.6	Very low	29.1	Very low	128 Å²	128	143.2 Å²	143.2	87%	0.865	79%	0.792	S	S	*	*			trans	-84.6	153.1	-178.5	-162.4	0	0	0	0	113
9	S	28.5	Very low	29.1	Very low	107 Å²	107	143.8 Å²	143.8	75%	0.748	79%	0.786	S	S	*	*			trans	179.3	111.3	148.6	40.8	0	0	0	0	110.9
10	E	26.3	Very low	29.1	Very low	171 Å²	171	143 Å²	143	80%	0.799	78%	0.778	S	S	*	*				77.7	109.2	101	-74.5	-175	167.2	0	0	116.8
11	K	30.9	Very low	29.3	Very low	216 Å²	216	140.5 Å²	140.5	94%	0.939	76%	0.764	S	S	*	*			trans	-138.8	120.3	142.5	-74.6	-166.7	179.4	180	0	109.1
12	T	28.5	Very low	29.1	Very low	108 Å²	108	134.2 Å²	134.2	66%	0.663	74%	0.743	S	S	*	*			trans	-88.4	148.4	-158.9	40.5	0	0	0	0	114.2
13	N	26.6	Very low	29.1	Very low	139 Å²	139	134.7 Å²	134.7	74%	0.743	74%	0.737	S	S	*	*			trans	-84.4	110.4	169.7	-74.8	-43	0	0	0	109.6
14	Y	26	Very low	29.2	Very low	214 Å²	214	135.2 Å²	135.2	84%	0.839	73%	0.732	S	S	*	*			trans	-106.1	107.9	162.7	-99.9	-95.8	0	0	0	107.1
15	T	31.8	Very low	29.2	Very low	118 Å²	118	131 Å²	131	72%	0.724	73%	0.727	S	S	*	*	S	Bend	trans	169.7	-22.5	159.4	31.1	0	0	0	0	112.2
16	N	30.1	Very low	29	Very low	107 Å²	107	132 Å²	132	57%	0.572	73%	0.726	S	S	*	*	S	Bend	trans	-83.9	-21.5	-177.9	-73.4	-25.4	0	0	0	114.4	L18 F19 M20	N16-L18 PolarHBondContact O-N 3.49Å; N16-F19 PolarHBondContact O-N 3.3Å; N16-M20 WeakPolarHBondContact O-CG 3.33Å; N16-M20 PolarHBondContact O-N 3.47Å
17	D	30.1	Very low	28.9	Very low	119 Å²	119	134.7 Å²	134.7	64%	0.636	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	-18.4	-172.8	-70.3	-26.3	0	0	0	114.4	N21	D17-N21 PolarHBondContact O-ND2 3.41Å
18	L	31.3	Very low	28.7	Very low	150 Å²	150	136.2 Å²	136.2	79%	0.785	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	-28.7	174.1	-90.9	151.8	0	0	0	112.6	N16	N16-L18 PolarHBondContact O-N 3.49Å
19	F	28.3	Very low	29.1	Very low	155 Å²	155	136.1 Å²	136.1	68%	0.68	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-30.5	180	-167.6	-103.3	0	0	0	112.6	N16	N16-F19 PolarHBondContact O-N 3.3Å
20	M	30.6	Very low	29	Very low	126 Å²	126	137 Å²	137	62%	0.621	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	-16.7	-179.2	-65.2	-65.3	-80.5	0	0	113.6	N16	N16-M20 WeakPolarHBondContact O-CG 3.33Å; N16-M20 PolarHBondContact O-N 3.47Å
21	N	32	Very low	29	Very low	91 Å²	91	136.4 Å²	136.4	49%	0.487	72%	0.718	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.3	-20.8	-179	-80.7	-37.5	0	0	0	113.9	D17 L23 K24	D17-N21 PolarHBondContact O-ND2 3.41Å; N21-L23 VanDerWaalsContact C-N 3.32Å; N21-L23 PolarHBondContact O-N 3.48Å; N21-K24 WeakPolarHBondContact OD1-CE 3.25Å; N21-K24 PolarHBondContact OD1-NZ 3.14Å
22	S	29.5	Very low	28.8	Very low	101 Å²	101	133.1 Å²	133.1	71%	0.706	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-6.5	178.1	-51.9	0	0	0	0	114.5
23	L	28.4	Very low	28.7	Very low	109 Å²	109	134.2 Å²	134.2	57%	0.571	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.8	1	-177.7	-69.2	169.1	0	0	0	113.6	N21 G25	N21-L23 VanDerWaalsContact C-N 3.32Å; N21-L23 PolarHBondContact O-N 3.48Å; L23-G25 PolarHBondContact O-N 2.7Å
24	K	29.4	Very low	28.7	Very low	165 Å²	165	130.3 Å²	130.3	72%	0.717	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	0.3	-176.4	-77.1	178.2	174.2	169.6	0	115.1	N21	N21-K24 WeakPolarHBondContact OD1-CE 3.25Å; N21-K24 PolarHBondContact OD1-NZ 3.14Å
25	G	29	Very low	28.7	Very low	74 Å²	74	123 Å²	123	76%	0.763	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.8	-1.5	-174	0	0	0	0	0	117.1	L23	L23-G25 PolarHBondContact O-N 2.7Å
26	I	32.7	Very low	28.6	Very low	118 Å²	118	122.2 Å²	122.2	61%	0.605	67%	0.674	S	S	*	*	S	Bend	trans	-118.2	-15.5	-162.2	-50	-178.8	0	0	0	114.1
27	W	24.1	Very low	28.7	Very low	229 Å²	229	123.2 Å²	123.2	87%	0.867	67%	0.67	S	S	*	*			trans	-146.7	130	-174.7	-65.7	82.4	0	0	0	113.9
28	P	25.8	Very low	28.9	Very low	115 Å²	115	119.6 Å²	119.6	75%	0.747	65%	0.652	S	S	*	*			trans	-75.3	124	166.8	31.1	-28.1	0	0	0	109.6
29	T	30.8	Very low	28.8	Very low	127 Å²	127	116.8 Å²	116.8	78%	0.779	64%	0.637	S	S	*	*	S	Bend	trans	19.6	149.6	153.9	45.9	0	0	0	0	121.7
30	P	26.8	Very low	29	Very low	124 Å²	124	114.1 Å²	114.1	81%	0.805	63%	0.629	S	S	*	*				-118	103	-65.1	31.9	-13	0	0	0	109.5
31	L	25.9	Very low	29	Very low	159 Å²	159	112 Å²	112	83%	0.832	62%	0.615	S	S	*	*			trans	-109.2	109.6	-177.4	-80.9	160.1	0	0	0	111.2
32	I	27.7	Very low	28.8	Very low	148 Å²	148	111.8 Å²	111.8	76%	0.759	61%	0.612	S	S	*	*			trans	35.7	94.6	147.4	-53.6	171.4	0	0	0	114.5	P34	I32-P34 WeakPolarHBondContact O-CD 3.49Å
33	V	26.2	Very low	28.6	Very low	130 Å²	130	114.6 Å²	114.6	79%	0.788	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-59	119.8	166.9	-179.3	0	0	0	0	108.6
34	P	25.8	Very low	28.8	Very low	57 Å²	57	114.4 Å²	114.4	37%	0.37	61%	0.608	S	S	.	*	P	Polyproline II helix	trans	-60.9	138.7	178.1	-20.3	31.1	0	0	0	110.2	I32 V38	I32-P34 WeakPolarHBondContact O-CD 3.49Å; P34-V38 HydrophobicContact CB-CB 4.02Å; P34-V38 HydrophobicContact CB-CG1 4.06Å
35	P	26.6	Very low	28.7	Very low	61 Å²	61	112.9 Å²	112.9	40%	0.396	60%	0.604	S	S	.	*	P	Polyproline II helix	trans	-51.5	143	175.1	-28.5	35.6	0	0	0	111.7	W37 V38	P35-W37 VanDerWaalsContact CB-CD1 3.42Å; P35-W37 HydrophobicContact CB-CG 4.36Å; P35-W37 PolarHBondContact O-N 3.15Å; P35-V38 WeakPolarHBondContact O-CB 3.4Å; P35-V38 PolarHBondContact O-N 3.03Å
36	P	30.1	Very low	28.7	Very low	102 Å²	102	117 Å²	117	66%	0.662	60%	0.6	S	S	*	*	H	α-helix	trans	-50.6	-22.3	-175	-31.4	35.3	0	0	0	116.3	L40	P36-L40 WeakPolarHBondContact O-CD1 3.4Å; P36-L40 PolarHBondContact O-N 3.38Å; P36-L40 VanDerWaalsContact O-N 3.14Å
37	W	32.9	Very low	28.5	Very low	128 Å²	128	113.1 Å²	113.1	49%	0.485	58%	0.584	S	S	.	*	H	α-helix	trans	-77.9	-23.2	176.7	65.1	-92.2	0	0	0	114.2	P35 R41 N552	P35-W37 VanDerWaalsContact CB-CD1 3.42Å; P35-W37 HydrophobicContact CB-CG 4.36Å; P35-W37 PolarHBondContact O-N 3.15Å; W37-R41 PolarHBondContact O-N 3.25Å; W37-N552 WeakPolarHBondContact CZ3-ND2 3.49Å
38	V	32.5	Very low	28.6	Very low	43 Å²	43	107.9 Å²	107.9	26%	0.261	57%	0.573	S	S	.	*	H	α-helix	trans	-74.8	-40.7	173.3	179.1	0	0	0	0	110	P34 P35 L40 R41 I42	P34-V38 HydrophobicContact CB-CB 4.02Å; P34-V38 HydrophobicContact CB-CG1 4.06Å; P35-V38 WeakPolarHBondContact O-CB 3.4Å; P35-V38 PolarHBondContact O-N 3.03Å; V38-L40 VanDerWaalsContact C-N 3.28Å; V38-L40 PolarHBondContact O-N 2.93Å; V38-R41 PolarHBondContact O-N 3.04Å; V38-I42 HydrophobicContact CG1-CD1 4.12Å; V38-I42 WeakPolarHBondContact O-CG1 3.43Å; V38-I42 PolarHBondContact O-N 3.45Å
39	L	29.7	Very low	28.7	Very low	91 Å²	91	108 Å²	108	48%	0.476	57%	0.568	S	S	.	*	H	α-helix	trans	-63	-35.9	170.7	-68.5	172.5	0	0	0	111.6	I42 F43	L39-I42 PolarHBondContact O-N 3.13Å; L39-F43 WeakPolarHBondContact O-CB 3.16Å; L39-F43 PolarHBondContact O-N 3.17Å
40	L	33.1	Very low	28.4	Very low	99 Å²	99	106 Å²	106	52%	0.518	55%	0.551	S	S	.	*	H	α-helix	trans	-67.5	-36.3	174.2	-112.5	123.5	0	0	0	113.3	P36 V38 F43 Q44	P36-L40 WeakPolarHBondContact O-CD1 3.4Å; P36-L40 PolarHBondContact O-N 3.38Å; P36-L40 VanDerWaalsContact O-N 3.14Å; V38-L40 VanDerWaalsContact C-N 3.28Å; V38-L40 PolarHBondContact O-N 2.93Å; L40-F43 PolarHBondContact O-N 3.03Å; L40-Q44 WeakPolarHBondContact O-CB 3.44Å; L40-Q44 VanDerWaalsContact O-CG 3.27Å; L40-Q44 WeakPolarHBondContact O-CG 3.43Å; L40-Q44 PolarHBondContact O-N 3.32Å
41	R	29.8	Very low	28.5	Very low	82 Å²	82	106.7 Å²	106.7	31%	0.309	55%	0.548	S	S	.	.	H	α-helix	trans	-69.2	-40.7	173.4	-101.5	-163.5	-176.4	-140.9	4.2	112.3	W37 V38 F43 Q44 E45 N552	W37-R41 PolarHBondContact O-N 3.25Å; V38-R41 PolarHBondContact O-N 3.04Å; R41-F43 VanDerWaalsContact C-N 3.28Å; R41-F43 PolarHBondContact O-N 3.33Å; R41-Q44 PolarHBondContact O-N 2.9Å; R41-E45 PolarHBondContact O-N 3.36Å; R41-N552 PolarHBondContact NE-ND2 2.81Å; R41-N552 PolarHBondContact NH2-OD1 2.98Å
42	I	27.7	Very low	28.6	Very low	86 Å²	86	105.2 Å²	105.2	44%	0.441	54%	0.54	S	S	.	.	H	α-helix	trans	-66.9	-33.6	174.9	-64.4	165.8	0	0	0	110.5	V38 L39 K46	V38-I42 HydrophobicContact CG1-CD1 4.12Å; V38-I42 WeakPolarHBondContact O-CG1 3.43Å; V38-I42 PolarHBondContact O-N 3.45Å; L39-I42 PolarHBondContact O-N 3.13Å; I42-K46 WeakPolarHBondContact O-CB 3.17Å; I42-K46 PolarHBondContact O-N 3.2Å
43	F	26.9	Very low	28.5	Very low	159 Å²	159	103.9 Å²	103.9	70%	0.697	53%	0.534	S	S	*	.	H	α-helix	trans	-70.3	-36.3	170.3	-113.1	-93.1	0	0	0	112.6	L39 L40 R41 K46 S47	L39-F43 WeakPolarHBondContact O-CB 3.16Å; L39-F43 PolarHBondContact O-N 3.17Å; L40-F43 PolarHBondContact O-N 3.03Å; R41-F43 VanDerWaalsContact C-N 3.28Å; R41-F43 PolarHBondContact O-N 3.33Å; F43-K46 CarbonylContact O-C 3.5Å; F43-K46 PolarHBondContact O-N 2.84Å; F43-S47 WeakPolarHBondContact O-CB 3.46Å; F43-S47 PolarHBondContact O-N 3.31Å; F43-S47 PolarHBondContact O-OG 2.95Å
44	Q	31.7	Very low	28.4	Very low	106 Å²	106	106.5 Å²	106.5	50%	0.495	54%	0.535	S	S	.	.	H	α-helix	trans	-72.9	-38.8	178.3	-81.6	174.9	-34.3	0	0	112.9	L40 R41 K46 S47 N48	L40-Q44 WeakPolarHBondContact O-CB 3.44Å; L40-Q44 VanDerWaalsContact O-CG 3.27Å; L40-Q44 WeakPolarHBondContact O-CG 3.43Å; L40-Q44 PolarHBondContact O-N 3.32Å; R41-Q44 PolarHBondContact O-N 2.9Å; Q44-K46 VanDerWaalsContact C-N 3.26Å; Q44-K46 PolarHBondContact O-N 2.99Å; Q44-S47 WeakPolarHBondContact CA-OG 3.4Å; Q44-S47 CarbonylContact O-C 3.58Å; Q44-S47 PolarHBondContact O-N 3.12Å; Q44-S47 VanDerWaalsContact O-N 3.13Å; Q44-S47 PolarHBondContact O-OG 2.79Å; Q44-N48 PolarHBondContact O-N 3.42Å; Q44-N48 PolarHBondContact O-OD1 3.49Å
45	E	27.9	Very low	28.4	Very low	132 Å²	132	109.4 Å²	109.4	62%	0.617	55%	0.547	S	S	*	.	H	α-helix	trans	-69.6	-25.1	173.5	-77	174.3	174.4	0	0	112.1	R41	R41-E45 PolarHBondContact O-N 3.36Å
46	K	29.1	Very low	28.5	Very low	160 Å²	160	111.7 Å²	111.7	70%	0.696	56%	0.556	S	S	*	*	H	α-helix	trans	-88.2	-15.1	168	-75.9	-175.7	174.8	-176.3	0	114	I42 F43 Q44	I42-K46 WeakPolarHBondContact O-CB 3.17Å; I42-K46 PolarHBondContact O-N 3.2Å; F43-K46 CarbonylContact O-C 3.5Å; F43-K46 PolarHBondContact O-N 2.84Å; Q44-K46 VanDerWaalsContact C-N 3.26Å; Q44-K46 PolarHBondContact O-N 2.99Å
47	S	28.1	Very low	28.5	Very low	37 Å²	37	112.5 Å²	112.5	26%	0.259	56%	0.555	S	S	.	*	H	α-helix	trans	-94.3	-5	175.5	82.7	0	0	0	0	114.3	F43 Q44 N49 L50	F43-S47 WeakPolarHBondContact O-CB 3.46Å; F43-S47 PolarHBondContact O-N 3.31Å; F43-S47 PolarHBondContact O-OG 2.95Å; Q44-S47 WeakPolarHBondContact CA-OG 3.4Å; Q44-S47 CarbonylContact O-C 3.58Å; Q44-S47 PolarHBondContact O-N 3.12Å; Q44-S47 VanDerWaalsContact O-N 3.13Å; Q44-S47 PolarHBondContact O-OG 2.79Å; S47-N49 PolarHBondContact O-N 3.07Å; S47-L50 WeakPolarHBondContact O-CA 3.45Å; S47-L50 VanDerWaalsContact O-CB 3.24Å; S47-L50 WeakPolarHBondContact O-CB 3.35Å; S47-L50 PolarHBondContact O-N 2.94Å
48	N	26.6	Very low	28.5	Very low	119 Å²	119	114.9 Å²	114.9	64%	0.636	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	-5.3	162.2	-69.1	-11.6	0	0	0	111.8	Q44	Q44-N48 PolarHBondContact O-N 3.42Å; Q44-N48 PolarHBondContact O-OD1 3.49Å
49	N	26.7	Very low	28.4	Very low	119 Å²	119	118.7 Å²	118.7	64%	0.636	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	3	162.7	-70.7	-36.2	0	0	0	113.5	S47	S47-N49 PolarHBondContact O-N 3.07Å
50	L	26	Very low	28.4	Very low	83 Å²	83	121.5 Å²	121.5	44%	0.435	60%	0.598	S	S	.	*			trans	-96.6	-1.1	177.7	-92.8	144.2	0	0	0	113.4	S47 I52 L53	S47-L50 WeakPolarHBondContact O-CA 3.45Å; S47-L50 VanDerWaalsContact O-CB 3.24Å; S47-L50 WeakPolarHBondContact O-CB 3.35Å; S47-L50 PolarHBondContact O-N 2.94Å; L50-I52 PolarHBondContact O-N 2.9Å; L50-I52 VanDerWaalsContact O-N 3.07Å; L50-L53 HydrophobicContact CD2-CB 4.01Å; L50-L53 HydrophobicContact CD2-CD1 3.33Å; L50-L53 HydrophobicContact CD2-CG 4.28Å; L50-L53 HydrophobicContact CG-CD1 4.04Å; L50-L53 PolarHBondContact O-N 3.09Å; L50-L53 VanDerWaalsContact O-N 3.13Å
51	D	27.8	Very low	28.3	Very low	139 Å²	139	122.8 Å²	122.8	74%	0.743	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	-3.6	163.4	-81	-22.5	0	0	0	112.7
52	I	28.7	Very low	28.2	Very low	128 Å²	128	128 Å²	128	66%	0.656	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	-8.4	177.2	-62.5	170.2	0	0	0	112	L50	L50-I52 PolarHBondContact O-N 2.9Å; L50-I52 VanDerWaalsContact O-N 3.07Å
53	L	24.7	Very low	28.3	Very low	121 Å²	121	128.4 Å²	128.4	63%	0.634	62%	0.623	S	S	*	*	S	Bend	trans	-110.7	2.3	-170.2	-83.6	156.6	0	0	0	115.7	L50	L50-L53 HydrophobicContact CD2-CB 4.01Å; L50-L53 HydrophobicContact CD2-CD1 3.33Å; L50-L53 HydrophobicContact CD2-CG 4.28Å; L50-L53 HydrophobicContact CG-CD1 4.04Å; L50-L53 PolarHBondContact O-N 3.09Å; L50-L53 VanDerWaalsContact O-N 3.13Å
54	F	25.3	Very low	28.5	Very low	184 Å²	184	123.4 Å²	123.4	81%	0.807	61%	0.608	S	S	*	*			trans	-111.7	16.3	173.4	-89	-79.8	0	0	0	114.5	N56	F54-N56 PolarHBondContact O-N 2.93Å
55	N	25.9	Very low	28.5	Very low	119 Å²	119	125.2 Å²	125.2	64%	0.636	62%	0.616	S	S	*	*			trans	-72.9	78.9	161.9	-74.3	-14.5	0	0	0	109.5
56	N	26.9	Very low	28.6	Very low	108 Å²	108	125.6 Å²	125.6	58%	0.578	62%	0.618	S	S	*	*			trans	-96.5	86.1	163.9	-82.2	-54.1	0	0	0	108.2	F54 K58 L59	F54-N56 PolarHBondContact O-N 2.93Å; N56-K58 PolarHBondContact O-N 2.82Å; N56-L59 PolarHBondContact O-N 3.31Å; N56-L59 VanDerWaalsContact O-N 3.1Å
57	D	30.4	Very low	28.7	Very low	120 Å²	120	122.3 Å²	122.3	64%	0.642	61%	0.608	S	S	*	*	H	α-helix	trans	-53.2	-19.2	-174.4	-64.2	-36.2	0	0	0	114.5	E61	D57-E61 PolarHBondContact O-N 2.99Å
58	K	34.6	Very low	28.8	Very low	178 Å²	178	127.3 Å²	127.3	77%	0.774	63%	0.627	S	S	*	*	H	α-helix	trans	-78.8	-17.2	178.3	-77.3	-179.3	174.3	177.3	0	116.1	N56	N56-K58 PolarHBondContact O-N 2.82Å
59	L	30.3	Very low	29	Very low	123 Å²	123	126.3 Å²	126.3	64%	0.644	63%	0.625	S	S	*	*	H	α-helix	trans	-93.5	-29.8	175.9	-96.9	161.3	0	0	0	111.8	N56 L63	N56-L59 PolarHBondContact O-N 3.31Å; N56-L59 VanDerWaalsContact O-N 3.1Å; L59-L63 WeakPolarHBondContact O-CD1 3.31Å; L59-L63 WeakPolarHBondContact O-CG 3.13Å; L59-L63 PolarHBondContact O-N 2.98Å
60	H	28.3	Very low	29.1	Very low	150 Å²	150	126.9 Å²	126.9	69%	0.694	62%	0.622	S	S	*	*	H	α-helix	trans	-72.9	-33.1	175	-112.9	-77.1	0	0	0	112.4	L63 S64	H60-L63 PolarHBondContact O-N 3.37Å; H60-S64 VanDerWaalsContact O-CB 3.27Å; H60-S64 WeakPolarHBondContact O-CB 3.42Å; H60-S64 PolarHBondContact O-N 3.46Å; H60-S64 PolarHBondContact O-OG 3.16Å
61	E	30.7	Very low	29.2	Very low	125 Å²	125	126.3 Å²	126.3	58%	0.584	63%	0.625	S	S	*	*	H	α-helix	trans	-60.9	-49.4	175.7	-124	172.3	179.7	0	0	112	D57 L63 S64 E65	D57-E61 PolarHBondContact O-N 2.99Å; E61-L63 PolarHBondContact O-N 3.23Å; E61-S64 PolarHBondContact O-N 3.08Å; E61-S64 PolarHBondContact O-OG 3.39Å; E61-E65 PolarHBondContact O-N 3.14Å
62	R	29	Very low	29.1	Very low	193 Å²	193	125.5 Å²	125.5	73%	0.728	62%	0.62	S	S	*	*	H	α-helix	trans	-72.3	-26.2	-179.6	-72.9	-173.8	169.5	177.3	-3.3	114.3
63	L	29.5	Very low	29.1	Very low	94 Å²	94	124.9 Å²	124.9	49%	0.492	62%	0.617	S	S	.	*	H	α-helix	trans	-81.4	-22	172.8	-72.5	167.2	0	0	0	112	L59 H60 E61 N67	L59-L63 WeakPolarHBondContact O-CD1 3.31Å; L59-L63 WeakPolarHBondContact O-CG 3.13Å; L59-L63 PolarHBondContact O-N 2.98Å; H60-L63 PolarHBondContact O-N 3.37Å; E61-L63 PolarHBondContact O-N 3.23Å; L63-N67 WeakPolarHBondContact O-CB 3.45Å; L63-N67 PolarHBondContact O-N 3.07Å; L63-N67 PolarHBondContact O-ND2 2.82Å
64	S	30.6	Very low	29.3	Very low	54 Å²	54	125.6 Å²	125.6	38%	0.378	62%	0.622	S	S	.	*	H	α-helix	trans	-76.9	-33.5	176.3	74.7	0	0	0	0	113.3	H60 E61 E66 N67 H68	H60-S64 VanDerWaalsContact O-CB 3.27Å; H60-S64 WeakPolarHBondContact O-CB 3.42Å; H60-S64 PolarHBondContact O-N 3.46Å; H60-S64 PolarHBondContact O-OG 3.16Å; E61-S64 PolarHBondContact O-N 3.08Å; E61-S64 PolarHBondContact O-OG 3.39Å; S64-E66 VanDerWaalsContact C-N 3.35Å; S64-E66 PolarHBondContact O-N 3.32Å; S64-N67 PolarHBondContact O-N 2.88Å; S64-H68 PolarHBondContact O-N 3.3Å
65	E	30.8	Very low	29.4	Very low	143 Å²	143	124.3 Å²	124.3	67%	0.668	62%	0.618	S	S	*	*	H	α-helix	trans	-68	-33.4	177	-71.9	179.6	162.5	0	0	112.3	E61	E61-E65 PolarHBondContact O-N 3.14Å
66	E	31.2	Very low	29.5	Very low	141 Å²	141	123.6 Å²	123.6	66%	0.659	62%	0.618	S	S	*	*	H	α-helix	trans	-81.5	-24	175.8	-65.9	-176.6	166.7	0	0	112.5	S64 H68 T69	S64-E66 VanDerWaalsContact C-N 3.35Å; S64-E66 PolarHBondContact O-N 3.32Å; E66-H68 VanDerWaalsContact C-N 3.31Å; E66-H68 PolarHBondContact O-N 3.47Å; E66-T69 PolarHBondContact O-N 3.06Å; E66-T69 PolarHBondContact O-OG1 2.83Å
67	N	30.9	Very low	29.7	Very low	90 Å²	90	127 Å²	127	48%	0.481	63%	0.628	S	S	.	*	H	α-helix	trans	-74	-14.2	177.1	-81.3	-30.4	0	0	0	114.4	L63 S64 T69 F70 S71	L63-N67 WeakPolarHBondContact O-CB 3.45Å; L63-N67 PolarHBondContact O-N 3.07Å; L63-N67 PolarHBondContact O-ND2 2.82Å; S64-N67 PolarHBondContact O-N 2.88Å; N67-T69 PolarHBondContact O-N 3.24Å; N67-F70 WeakPolarHBondContact O-CA 3.19Å; N67-F70 WeakPolarHBondContact O-CB 3.32Å; N67-F70 PolarHBondContact O-N 3.2Å; N67-S71 PolarHBondContact O-N 2.77Å; N67-S71 VanDerWaalsContact O-N 3.13Å
68	H	30.8	Very low	29.4	Very low	143 Å²	143	129.5 Å²	129.5	66%	0.662	64%	0.639	S	S	*	*	H	α-helix	trans	-63.2	-23.1	170.9	-90.2	-72.7	0	0	0	112.9	S64 E66	S64-H68 PolarHBondContact O-N 3.3Å; E66-H68 VanDerWaalsContact C-N 3.31Å; E66-H68 PolarHBondContact O-N 3.47Å
69	T	29.2	Very low	28.9	Very low	97 Å²	97	125.7 Å²	125.7	60%	0.595	64%	0.635	S	S	*	*	H	α-helix	trans	-79.7	-21.7	170.9	65.2	0	0	0	0	113.2	E66 N67	E66-T69 PolarHBondContact O-N 3.06Å; E66-T69 PolarHBondContact O-OG1 2.83Å; N67-T69 PolarHBondContact O-N 3.24Å
70	F	28.7	Very low	28.9	Very low	131 Å²	131	126.8 Å²	126.8	58%	0.575	64%	0.641	S	S	*	*	H	α-helix	trans	-83	-26.8	177.4	-110.9	-92	0	0	0	113	N67 I73	N67-F70 WeakPolarHBondContact O-CA 3.19Å; N67-F70 WeakPolarHBondContact O-CB 3.32Å; N67-F70 PolarHBondContact O-N 3.2Å; F70-I73 PolarHBondContact O-N 2.69Å
71	S	28.4	Very low	28.9	Very low	72 Å²	72	129.5 Å²	129.5	50%	0.503	65%	0.651	S	S	.	*	H	α-helix	trans	-69.9	-30.7	178.4	-162.9	0	0	0	0	113.4	N67 I73	N67-S71 PolarHBondContact O-N 2.77Å; N67-S71 VanDerWaalsContact O-N 3.13Å; S71-I73 PolarHBondContact O-N 3.38Å
72	L	27.2	Very low	28.9	Very low	121 Å²	121	131.8 Å²	131.8	63%	0.634	66%	0.662	S	S	*	*	H	α-helix	trans	-72.5	-12.9	175.9	-76.7	161.4	0	0	0	113.4
73	I	27.4	Very low	28.9	Very low	115 Å²	115	129.7 Å²	129.7	59%	0.59	67%	0.665	S	S	*	*	H	α-helix	trans	-93.6	-20.1	-176.8	-62.8	173.7	0	0	0	111.7	F70 S71	F70-I73 PolarHBondContact O-N 2.69Å; S71-I73 PolarHBondContact O-N 3.38Å
74	N	29.1	Very low	28.8	Very low	137 Å²	137	131.7 Å²	131.7	73%	0.733	68%	0.682	S	S	*	*	H	α-helix	trans	-84.9	-14.8	175.4	-84.5	-16.9	0	0	0	114.1
75	E	27.9	Very low	28.6	Very low	156 Å²	156	132.5 Å²	132.5	73%	0.729	70%	0.698	S	S	*	*	S	Bend	trans	-85.5	-6.1	179.2	-70.9	-174.6	158.3	0	0	114
76	V	28.2	Very low	28.6	Very low	105 Å²	105	134 Å²	134	64%	0.636	71%	0.71	S	S	*	*	S	Bend	trans	-95.3	-9.5	-169.9	177.2	0	0	0	0	115
77	K	29.7	Very low	28.5	Very low	180 Å²	180	134.6 Å²	134.6	78%	0.783	72%	0.717	S	S	*	*	S	Bend	trans	-147.7	57.5	-179.6	-67.1	-170	179.2	178.3	0	116.1
78	I	25.7	Very low	28.4	Very low	171 Å²	171	139.5 Å²	139.5	88%	0.877	74%	0.735	S	S	*	*	S	Bend	trans	-142.2	64.9	150.3	-47.9	178.3	0	0	0	109.1
79	S	24.3	Very low	28.2	Very low	98 Å²	98	139.3 Å²	139.3	69%	0.685	74%	0.744	S	S	*	*			trans	-145.3	146.5	156.3	56.2	0	0	0	0	107.1
80	D	28.5	Very low	28	Very low	146 Å²	146	138.5 Å²	138.5	78%	0.781	74%	0.742	S	S	*	*			trans	93.8	65.1	179.4	-47.9	-20.4	0	0	0	115.5	Q82	D80-Q82 VanDerWaalsContact C-N 3.27Å; D80-Q82 PolarHBondContact O-N 3.03Å
81	K	30	Very low	28.2	Very low	208 Å²	208	137 Å²	137	90%	0.904	75%	0.745	S	S	*	*			trans	-65	94.9	130.6	-81.6	-179.5	176.6	176.1	0	107.8
82	Q	29.7	Very low	28.4	Very low	173 Å²	173	137.8 Å²	137.8	81%	0.808	75%	0.747	S	S	*	*			trans	-179	149	144.9	-99.1	167.7	36.4	0	0	108.4	D80	D80-Q82 VanDerWaalsContact C-N 3.27Å; D80-Q82 PolarHBondContact O-N 3.03Å
83	N	28.5	Very low	28.4	Very low	149 Å²	149	136.5 Å²	136.5	80%	0.797	74%	0.744	S	S	*	*			trans	93	80	177.8	-56.6	-14.6	0	0	0	116.8
84	T	27.2	Very low	28.2	Very low	136 Å²	136	134.7 Å²	134.7	83%	0.834	74%	0.742	S	S	*	*				-10.3	130.6	129.5	50.9	0	0	0	0	117
85	G	27.2	Very low	28.2	Very low	70 Å²	70	133 Å²	133	72%	0.722	73%	0.733	S	S	*	*			trans	80.9	107.2	150.7	0	0	0	0	0	115.9
86	L	31	Very low	28.2	Very low	176 Å²	176	130.9 Å²	130.9	92%	0.921	73%	0.726	S	S	*	*				175.5	152.3	129.2	-91.4	154.1	0	0	0	110.8
87	D	28.7	Very low	28.1	Very low	152 Å²	152	131.2 Å²	131.2	81%	0.813	72%	0.723	S	S	*	*			trans	-67.8	159.3	-156.5	-81.9	-55.5	0	0	0	117.9	T89	D87-T89 PolarHBondContact O-N 3.23Å
88	K	28.3	Very low	27.9	Very low	194 Å²	194	125.5 Å²	125.5	84%	0.843	71%	0.706	S	S	*	*			trans	-62.5	112.9	167.3	-61.1	165.7	-178.5	170.2	0	110
89	T	27	Very low	28.2	Very low	139 Å²	139	120.2 Å²	120.2	85%	0.853	68%	0.684	S	S	*	*			trans	172.6	103.6	140.2	44.5	0	0	0	0	110.5	D87	D87-T89 PolarHBondContact O-N 3.23Å
90	S	26	Very low	28.4	Very low	79 Å²	79	120.9 Å²	120.9	55%	0.552	68%	0.679	S	S	*	*			trans	-153.6	110.2	156.2	-170.8	0	0	0	0	110.9	T92	S90-T92 PolarHBondContact O-N 3.31Å; S90-T92 PolarHBondContact OG-OG1 3.5Å; S90-T92 VanDerWaalsContact OG-OG1 3.08Å
91	P	31.9	Very low	28.5	Very low	100 Å²	100	117.7 Å²	117.7	65%	0.649	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	-13.3	-178.5	-12.8	27	0	0	0	114.1
92	T	32.7	Very low	28.8	Very low	89 Å²	89	111.4 Å²	111.4	55%	0.546	65%	0.648	S	S	.	*	H	α-helix	trans	-74.8	-31.7	-166.7	-4.4	0	0	0	0	113.6	S90	S90-T92 PolarHBondContact O-N 3.31Å; S90-T92 PolarHBondContact OG-OG1 3.5Å; S90-T92 VanDerWaalsContact OG-OG1 3.08Å
93	V	27	Very low	29.2	Very low	94 Å²	94	108.1 Å²	108.1	57%	0.57	64%	0.636	S	S	*	*	H	α-helix	trans	-74.1	-34.4	-179.6	-178.6	0	0	0	0	111.7	I97	V93-I97 HydrophobicContact CG1-CD1 4.15Å; V93-I97 WeakPolarHBondContact O-CG1 3.42Å; V93-I97 PolarHBondContact O-N 2.98Å
94	S	24.1	Very low	29.6	Very low	77 Å²	77	105 Å²	105	54%	0.538	62%	0.622	S	S	.	*	H	α-helix	trans	-70	-34.7	179.1	-164.1	0	0	0	0	112.1	S98	S94-S98 WeakPolarHBondContact O-CB 3.4Å; S94-S98 PolarHBondContact O-N 3.28Å; S94-S98 VanDerWaalsContact O-N 3.1Å; S94-S98 PolarHBondContact O-OG 3.36Å
95	N	28.3	Very low	30.2	Very low	102 Å²	102	102.6 Å²	102.6	55%	0.545	60%	0.601	S	S	.	*	H	α-helix	trans	-69	-38.4	178.9	-72.8	-11.7	0	0	0	113	S98 S99	N95-S98 WeakPolarHBondContact O-CB 3.32Å; N95-S98 PolarHBondContact O-N 3.5Å; N95-S99 PolarHBondContact O-N 3.39Å; N95-S99 PolarHBondContact O-OG 2.93Å
96	N	27.9	Very low	30.9	Very low	110 Å²	110	103.5 Å²	103.5	59%	0.588	59%	0.589	S	S	*	*	H	α-helix	trans	-70.2	-35.5	178	-70.9	-15	0	0	0	112.7	S98 S99 L100	N96-S98 VanDerWaalsContact C-N 3.31Å; N96-S99 PolarHBondContact O-OG 3.28Å; N96-L100 WeakPolarHBondContact O-CB 3.12Å; N96-L100 PolarHBondContact O-N 2.96Å; N96-L100 VanDerWaalsContact O-N 3.1Å
97	I	26.1	Very low	31.2	Very low	113 Å²	113	98.8 Å²	98.8	58%	0.579	57%	0.571	S	S	*	*	H	α-helix	trans	-66.6	-37.7	173.3	-65.3	168.2	0	0	0	110.3	V93 S101	V93-I97 HydrophobicContact CG1-CD1 4.15Å; V93-I97 WeakPolarHBondContact O-CG1 3.42Å; V93-I97 PolarHBondContact O-N 2.98Å; I97-S101 VanDerWaalsContact O-CB 3.27Å; I97-S101 WeakPolarHBondContact O-CB 3.46Å; I97-S101 PolarHBondContact O-N 2.89Å
98	S	26.5	Very low	31.6	Very low	60 Å²	60	94 Å²	94	42%	0.42	55%	0.548	S	S	.	.	H	α-helix	trans	-66.8	-45.4	178.2	-55	0	0	0	0	112	S94 N95 N96 S101 T102	S94-S98 WeakPolarHBondContact O-CB 3.4Å; S94-S98 PolarHBondContact O-N 3.28Å; S94-S98 VanDerWaalsContact O-N 3.1Å; S94-S98 PolarHBondContact O-OG 3.36Å; N95-S98 WeakPolarHBondContact O-CB 3.32Å; N95-S98 PolarHBondContact O-N 3.5Å; N96-S98 VanDerWaalsContact C-N 3.31Å; S98-S101 PolarHBondContact O-N 3.43Å; S98-T102 PolarHBondContact O-N 2.85Å; S98-T102 PolarHBondContact O-OG1 3.45Å
99	S	31.2	Very low	32	Very low	59 Å²	59	86.3 Å²	86.3	41%	0.413	52%	0.518	S	S	.	.	H	α-helix	trans	-66.1	-40.7	178.5	63.2	0	0	0	0	112.1	N95 N96 T102 N103	N95-S99 PolarHBondContact O-N 3.39Å; N95-S99 PolarHBondContact O-OG 2.93Å; N96-S99 PolarHBondContact O-OG 3.28Å; S99-T102 WeakPolarHBondContact O-CB 3.21Å; S99-T102 PolarHBondContact O-N 3.48Å; S99-N103 PolarHBondContact O-N 3.49Å
100	L	29.2	Very low	32.8	Very low	112 Å²	112	82.9 Å²	82.9	59%	0.586	50%	0.499	S	S	*	.	H	α-helix	trans	-66.9	-40.8	177.2	-160.8	69.9	0	0	0	112	N96 T102 N103 V104	N96-L100 WeakPolarHBondContact O-CB 3.12Å; N96-L100 PolarHBondContact O-N 2.96Å; N96-L100 VanDerWaalsContact O-N 3.1Å; L100-T102 VanDerWaalsContact C-N 3.25Å; L100-T102 PolarHBondContact O-N 2.81Å; L100-N103 PolarHBondContact O-N 3.34Å; L100-V104 WeakPolarHBondContact O-CG2 3.24Å; L100-V104 PolarHBondContact O-N 2.93Å; L100-V104 VanDerWaalsContact O-N 3.1Å
101	S	29.2	Very low	33.4	Very low	80 Å²	80	82.7 Å²	82.7	56%	0.559	50%	0.495	S	S	*	.	H	α-helix	trans	-58.6	-38.2	171.7	176.7	0	0	0	0	112	I97 S98 H105	I97-S101 VanDerWaalsContact O-CB 3.27Å; I97-S101 WeakPolarHBondContact O-CB 3.46Å; I97-S101 PolarHBondContact O-N 2.89Å; S98-S101 PolarHBondContact O-N 3.43Å; S101-H105 WeakPolarHBondContact O-CB 3.46Å; S101-H105 PolarHBondContact O-N 2.81Å
102	T	37.9	Very low	33.7	Very low	75 Å²	75	78.4 Å²	78.4	46%	0.46	47%	0.466	S	S	.	.	H	α-helix	trans	-69.6	-42.5	179.8	-47.4	0	0	0	0	111.6	S98 S99 L100 H105 N106	S98-T102 PolarHBondContact O-N 2.85Å; S98-T102 PolarHBondContact O-OG1 3.45Å; S99-T102 WeakPolarHBondContact O-CB 3.21Å; S99-T102 PolarHBondContact O-N 3.48Å; L100-T102 VanDerWaalsContact C-N 3.25Å; L100-T102 PolarHBondContact O-N 2.81Å; T102-H105 PolarHBondContact O-N 3Å; T102-N106 PolarHBondContact O-N 2.81Å; T102-N106 PolarHBondContact O-ND2 3.33Å
103	N	38.3	Very low	34.3	Very low	105 Å²	105	80.7 Å²	80.7	56%	0.561	47%	0.471	S	S	*	.	H	α-helix	trans	-66.2	-42.1	179	-74.5	-15.5	0	0	0	112.6	S99 L100 H105 N106 S107	S99-N103 PolarHBondContact O-N 3.49Å; L100-N103 PolarHBondContact O-N 3.34Å; N103-H105 VanDerWaalsContact C-N 3.35Å; N103-N106 PolarHBondContact O-N 3.37Å; N103-S107 PolarHBondContact O-N 2.75Å
104	V	35.6	Very low	35.1	Very low	84 Å²	84	82.7 Å²	82.7	51%	0.509	48%	0.478	S	S	.	.	H	α-helix	trans	-62.5	-43.7	174	174.5	0	0	0	0	110.5	L100 N106 S107 V108	L100-V104 WeakPolarHBondContact O-CG2 3.24Å; L100-V104 PolarHBondContact O-N 2.93Å; L100-V104 VanDerWaalsContact O-N 3.1Å; V104-N106 VanDerWaalsContact C-N 3.32Å; V104-N106 PolarHBondContact O-N 3.29Å; V104-S107 PolarHBondContact O-N 3.31Å; V104-V108 HydrophobicContact CG1-CG2 4.49Å; V104-V108 VanDerWaalsContact O-CG2 3.3Å; V104-V108 WeakPolarHBondContact O-CG2 3.26Å; V104-V108 PolarHBondContact O-N 3.41Å
105	H	39.6	Very low	35.8	Very low	85 Å²	85	81.9 Å²	81.9	39%	0.394	47%	0.467	S	S	.	.	H	α-helix	trans	-59.6	-41.6	176.1	-172.6	-14.2	0	0	0	112.1	S101 T102 N103 V108 C109	S101-H105 WeakPolarHBondContact O-CB 3.46Å; S101-H105 PolarHBondContact O-N 2.81Å; T102-H105 PolarHBondContact O-N 3Å; N103-H105 VanDerWaalsContact C-N 3.35Å; H105-V108 PolarHBondContact O-N 3.42Å; H105-C109 PolarHBondContact CE1-SG 2.67Å; H105-C109 PolarHBondContact ND1-SG 3.36Å; H105-C109 WeakPolarHBondContact O-CB 3.49Å; H105-C109 PolarHBondContact O-N 2.79Å; H105-C109 PolarHBondContact O-SG 3.4Å
106	N	42	Very low	36.4	Very low	88 Å²	88	81.5 Å²	81.5	47%	0.471	46%	0.46	S	S	.	.	H	α-helix	trans	-67.2	-40.7	-179.8	-71.1	-21.5	0	0	0	112.7	T102 N103 V104 C109 S110	T102-N106 PolarHBondContact O-N 2.81Å; T102-N106 PolarHBondContact O-ND2 3.33Å; N103-N106 PolarHBondContact O-N 3.37Å; V104-N106 VanDerWaalsContact C-N 3.32Å; V104-N106 PolarHBondContact O-N 3.29Å; N106-C109 PolarHBondContact O-N 3.5Å; N106-S110 PolarHBondContact O-N 2.95Å; N106-S110 VanDerWaalsContact O-N 3.09Å; N106-S110 PolarHBondContact O-OG 3.27Å
107	S	37.2	Very low	36.9	Very low	77 Å²	77	79.2 Å²	79.2	54%	0.538	46%	0.462	S	S	.	.	H	α-helix	trans	-61.7	-48.7	174.9	-177.8	0	0	0	0	111	N103 V104 C109 S110 T111	N103-S107 PolarHBondContact O-N 2.75Å; V104-S107 PolarHBondContact O-N 3.31Å; S107-C109 VanDerWaalsContact C-N 3.35Å; S107-C109 PolarHBondContact O-N 3.21Å; S107-S110 WeakPolarHBondContact O-CB 3.44Å; S107-S110 PolarHBondContact O-N 3.28Å; S107-S110 VanDerWaalsContact O-N 3.13Å; S107-T111 PolarHBondContact O-N 3.05Å; S107-T111 VanDerWaalsContact O-N 3.16Å; S107-T111 PolarHBondContact O-OG1 2.97Å
108	V	37.8	Very low	37.6	Very low	53 Å²	53	79.2 Å²	79.2	32%	0.321	46%	0.464	S	S	.	.	H	α-helix	trans	-58.6	-44.9	176.3	172.9	0	0	0	0	111.3	V104 H105 S110 T111 L112 I132	V104-V108 HydrophobicContact CG1-CG2 4.49Å; V104-V108 VanDerWaalsContact O-CG2 3.3Å; V104-V108 WeakPolarHBondContact O-CG2 3.26Å; V104-V108 PolarHBondContact O-N 3.41Å; H105-V108 PolarHBondContact O-N 3.42Å; V108-S110 VanDerWaalsContact C-N 3.31Å; V108-S110 PolarHBondContact O-N 3.03Å; V108-T111 PolarHBondContact O-N 2.88Å; V108-L112 HydrophobicContact CG1-CD1 3.84Å; V108-L112 HydrophobicContact CG1-CG 4.24Å; V108-L112 WeakPolarHBondContact O-CB 3.46Å; V108-L112 WeakPolarHBondContact O-CG 3.43Å; V108-L112 PolarHBondContact O-N 3.38Å; V108-I132 HydrophobicContact CG1-CG2 3.51Å
109	C	37	Very low	38.4	Very low	32 Å²	32	88.7 Å²	88.7	22%	0.216	49%	0.49	C	S	.	.	H	α-helix	trans	-59.3	-38.4	176.7	-84	0	0	0	0	113.5	H105 N106 S107 L112 Q113	H105-C109 PolarHBondContact CE1-SG 2.67Å; H105-C109 PolarHBondContact ND1-SG 3.36Å; H105-C109 WeakPolarHBondContact O-CB 3.49Å; H105-C109 PolarHBondContact O-N 2.79Å; H105-C109 PolarHBondContact O-SG 3.4Å; N106-C109 PolarHBondContact O-N 3.5Å; S107-C109 VanDerWaalsContact C-N 3.35Å; S107-C109 PolarHBondContact O-N 3.21Å; C109-L112 PolarHBondContact O-N 2.97Å; C109-Q113 WeakPolarHBondContact O-CG 3.47Å; C109-Q113 PolarHBondContact O-N 3.28Å
110	S	44.5	Very low	39.1	Very low	66 Å²	66	95.8 Å²	95.8	46%	0.462	51%	0.514	S	S	.	.	H	α-helix	trans	-66.6	-44.9	179.6	-56.5	0	0	0	0	111.1	N106 S107 V108 L112 Q113 L114	N106-S110 PolarHBondContact O-N 2.95Å; N106-S110 VanDerWaalsContact O-N 3.09Å; N106-S110 PolarHBondContact O-OG 3.27Å; S107-S110 WeakPolarHBondContact O-CB 3.44Å; S107-S110 PolarHBondContact O-N 3.28Å; S107-S110 VanDerWaalsContact O-N 3.13Å; V108-S110 VanDerWaalsContact C-N 3.31Å; V108-S110 PolarHBondContact O-N 3.03Å; S110-L112 VanDerWaalsContact C-N 3.3Å; S110-L112 PolarHBondContact O-N 3.38Å; S110-Q113 PolarHBondContact O-N 3.07Å; S110-L114 PolarHBondContact O-N 2.99Å
111	T	38.5	Very low	39.9	Very low	76 Å²	76	92.2 Å²	92.2	47%	0.466	50%	0.495	S	S	.	.	H	α-helix	trans	-62.4	-38.7	174.5	-48.1	0	0	0	0	111.5	S107 V108 L114 I115	S107-T111 PolarHBondContact O-N 3.05Å; S107-T111 VanDerWaalsContact O-N 3.16Å; S107-T111 PolarHBondContact O-OG1 2.97Å; V108-T111 PolarHBondContact O-N 2.88Å; T111-L114 PolarHBondContact O-N 3.32Å; T111-I115 HydrophobicContact CG2-CD1 4.3Å; T111-I115 WeakPolarHBondContact O-CD1 3.39Å; T111-I115 VanDerWaalsContact O-CG1 3.26Å; T111-I115 WeakPolarHBondContact O-CG1 3.41Å; T111-I115 PolarHBondContact O-N 3.44Å; T111-I115 VanDerWaalsContact O-N 3.08Å
112	L	37.3	Very low	41.1	Very low	10 Å²	10	91.3 Å²	91.3	5%	0.052	49%	0.489	C	S	.	.	H	α-helix	trans	-67.3	-33.9	177.5	-73.1	-180	0	0	0	113.8	V108 C109 S110 I115 K116 I129 I132 E133	V108-L112 HydrophobicContact CG1-CD1 3.84Å; V108-L112 HydrophobicContact CG1-CG 4.24Å; V108-L112 WeakPolarHBondContact O-CB 3.46Å; V108-L112 WeakPolarHBondContact O-CG 3.43Å; V108-L112 PolarHBondContact O-N 3.38Å; C109-L112 PolarHBondContact O-N 2.97Å; S110-L112 VanDerWaalsContact C-N 3.3Å; S110-L112 PolarHBondContact O-N 3.38Å; L112-I115 HydrophobicContact CD2-CD1 4.34Å; L112-I115 PolarHBondContact O-N 2.96Å; L112-K116 PolarHBondContact O-N 2.95Å; L112-I129 HydrophobicContact CB-CG2 3.88Å; L112-I129 HydrophobicContact CD1-CG2 4.19Å; L112-I129 HydrophobicContact CD2-CB 3.98Å; L112-I129 HydrophobicContact CD2-CD1 4.45Å; L112-I129 HydrophobicContact CD2-CG1 3.65Å; L112-I129 HydrophobicContact CD2-CG2 3.71Å; L112-I129 HydrophobicContact CG-CG2 4.13Å; L112-I132 HydrophobicContact CD1-CB 3.73Å; L112-I132 HydrophobicContact CD1-CD1 4.47Å; L112-I132 HydrophobicContact CD1-CG2 3.54Å; L112-I132 HydrophobicContact CD2-CD1 4.28Å; L112-E133 HydrophobicContact CD1-CG 4.05Å
113	Q	44.5	Very low	41.7	Very low	137 Å²	137	95.8 Å²	95.8	64%	0.64	50%	0.502	S	S	*	.	H	α-helix	trans	-67.4	-41.4	173.8	-77.3	178.3	-2	0	0	112.1	C109 S110 I115 K116 G117	C109-Q113 WeakPolarHBondContact O-CG 3.47Å; C109-Q113 PolarHBondContact O-N 3.28Å; S110-Q113 PolarHBondContact O-N 3.07Å; Q113-I115 VanDerWaalsContact C-N 3.28Å; Q113-I115 PolarHBondContact O-N 3.49Å; Q113-K116 PolarHBondContact O-N 2.9Å; Q113-G117 PolarHBondContact O-N 2.86Å
114	L	45.3	Very low	42.1	Very low	136 Å²	136	95.8 Å²	95.8	71%	0.712	50%	0.498	S	S	*	.	H	α-helix	trans	-61.3	-39.8	173.8	-71.1	170.4	0	0	0	111.4	S110 T111 G117	S110-L114 PolarHBondContact O-N 2.99Å; T111-L114 PolarHBondContact O-N 3.32Å; L114-G117 PolarHBondContact O-N 2.97Å
115	I	38.6	Very low	42.8	Very low	59 Å²	59	94.6 Å²	94.6	30%	0.303	49%	0.491	S	S	.	.	H	α-helix	trans	-64.3	-50.3	175.5	-62.5	163.2	0	0	0	109.1	T111 L112 Q113 G117 N118 I121 V125 I129	T111-I115 HydrophobicContact CG2-CD1 4.3Å; T111-I115 WeakPolarHBondContact O-CD1 3.39Å; T111-I115 VanDerWaalsContact O-CG1 3.26Å; T111-I115 WeakPolarHBondContact O-CG1 3.41Å; T111-I115 PolarHBondContact O-N 3.44Å; T111-I115 VanDerWaalsContact O-N 3.08Å; L112-I115 HydrophobicContact CD2-CD1 4.34Å; L112-I115 PolarHBondContact O-N 2.96Å; Q113-I115 VanDerWaalsContact C-N 3.28Å; Q113-I115 PolarHBondContact O-N 3.49Å; I115-G117 PolarHBondContact O-N 3.37Å; I115-N118 PolarHBondContact O-N 3.35Å; I115-I121 VanDerWaalsContact C-CD1 3.5Å; I115-I121 HydrophobicContact CG2-CD1 3.53Å; I115-I121 WeakPolarHBondContact O-CD1 3.48Å; I115-V125 HydrophobicContact CG2-CG1 4.25Å; I115-I129 HydrophobicContact CB-CD1 3.91Å; I115-I129 HydrophobicContact CG2-CD1 3.35Å; I115-I129 HydrophobicContact CG2-CG1 4.45Å
116	K	39.9	Very low	43.5	Very low	94 Å²	94	93.7 Å²	93.7	41%	0.409	49%	0.488	S	S	.	.	H	α-helix	trans	-52.8	-23.5	178.9	-80.8	179.1	170.6	177.7	0	116.3	L112 Q113 N118 I129 E133	L112-K116 PolarHBondContact O-N 2.95Å; Q113-K116 PolarHBondContact O-N 2.9Å; K116-N118 VanDerWaalsContact C-N 3.33Å; K116-N118 PolarHBondContact O-N 3.35Å; K116-I129 HydrophobicContact CD-CG2 4.41Å; K116-I129 HydrophobicContact CG-CD1 4.38Å; K116-I129 HydrophobicContact CG-CG2 4.24Å; K116-E133 WeakPolarHBondContact CE-OE1 3.47Å; K116-E133 WeakPolarHBondContact CE-OE2 3.34Å; K116-E133 IonicContact NZ-OE1 2.61Å; K116-E133 PolarHBondContact NZ-OE1 3Å; K116-E133 IonicContact NZ-OE2 2.63Å; K116-E133 PolarHBondContact NZ-OE2 2.93Å
117	G	38.3	Very low	44.1	Very low	62 Å²	62	91.4 Å²	91.4	64%	0.639	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-16.2	177.2	0	0	0	0	0	115.5	Q113 L114 I115 R119	Q113-G117 PolarHBondContact O-N 2.86Å; L114-G117 PolarHBondContact O-N 2.97Å; I115-G117 PolarHBondContact O-N 3.37Å; G117-R119 PolarHBondContact O-N 3.23Å
118	N	42.2	Very low	44.9	Very low	114 Å²	114	93.9 Å²	93.9	61%	0.61	48%	0.477	S	S	*	.			trans	-84.3	108.3	-176.5	-107	-30.8	0	0	0	111.6	I115 K116 K120 I121	I115-N118 PolarHBondContact O-N 3.35Å; K116-N118 VanDerWaalsContact C-N 3.33Å; K116-N118 PolarHBondContact O-N 3.35Å; N118-K120 PolarHBondContact O-N 2.94Å; N118-I121 HydrophobicContact CB-CD1 3.45Å; N118-I121 VanDerWaalsContact CB-CD1 3.45Å; N118-I121 HydrophobicContact CB-CG1 3.87Å; N118-I121 VanDerWaalsContact O-CD1 3.26Å; N118-I121 WeakPolarHBondContact O-CD1 3.45Å; N118-I121 WeakPolarHBondContact O-CG1 3.48Å; N118-I121 PolarHBondContact O-N 2.77Å
119	R	41.5	Very low	45.9	Very low	258 Å²	258	91.6 Å²	91.6	97%	0.974	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-5.1	-175.2	-72.8	-178.8	176.3	159.4	-0.8	116.1	G117	G117-R119 PolarHBondContact O-N 3.23Å
120	K	46.1	Very low	46.6	Very low	209 Å²	209	91.7 Å²	91.7	91%	0.909	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	13.7	180	-69.5	-173.3	177.6	-179.7	0	114.3	N118 S122	N118-K120 PolarHBondContact O-N 2.94Å; K120-S122 PolarHBondContact O-N 3.08Å
121	I	47.6	Very low	47.1	Very low	37 Å²	37	90 Å²	90	19%	0.19	45%	0.447	C	S	.	.			trans	-81.8	122.1	-172.9	-69.2	169.1	0	0	0	111.1	I115 N118 V125 I126	I115-I121 VanDerWaalsContact C-CD1 3.5Å; I115-I121 HydrophobicContact CG2-CD1 3.53Å; I115-I121 WeakPolarHBondContact O-CD1 3.48Å; N118-I121 HydrophobicContact CB-CD1 3.45Å; N118-I121 VanDerWaalsContact CB-CD1 3.45Å; N118-I121 HydrophobicContact CB-CG1 3.87Å; N118-I121 VanDerWaalsContact O-CD1 3.26Å; N118-I121 WeakPolarHBondContact O-CD1 3.45Å; N118-I121 WeakPolarHBondContact O-CG1 3.48Å; N118-I121 PolarHBondContact O-N 2.77Å; I121-V125 HydrophobicContact CG2-CB 3.46Å; I121-V125 VanDerWaalsContact CG2-CB 3.46Å; I121-V125 HydrophobicContact CG2-CG1 3.47Å; I121-V125 VanDerWaalsContact CG2-CG1 3.47Å; I121-V125 HydrophobicContact CG2-CG2 4.48Å; I121-I126 HydrophobicContact CB-CG1 4.41Å; I121-I126 HydrophobicContact CG2-CD1 4.45Å; I121-I126 HydrophobicContact CG2-CG1 3.7Å
122	S	52.8	Low	47.9	Very low	61 Å²	61	90.6 Å²	90.6	43%	0.427	45%	0.447	S	S	.	.			trans	-50.2	139.4	172.8	171	0	0	0	0	110.7	K120 E124 V125 I126	K120-S122 PolarHBondContact O-N 3.08Å; S122-E124 PolarHBondContact O-N 2.85Å; S122-E124 VanDerWaalsContact OG-CB 3.26Å; S122-E124 WeakPolarHBondContact OG-CB 3.38Å; S122-E124 PolarHBondContact OG-N 3.33Å; S122-V125 PolarHBondContact O-N 2.9Å; S122-I126 PolarHBondContact O-N 3.05Å
123	K	51.7	Low	48.5	Very low	168 Å²	168	92.7 Å²	92.7	73%	0.73	46%	0.456	S	S	*	.	H	α-helix	trans	-48.4	-30.6	171.5	-71	176.8	179.6	171.3	0	111.9	N127	K123-N127 VanDerWaalsContact O-CB 3.3Å; K123-N127 WeakPolarHBondContact O-CB 3.45Å; K123-N127 PolarHBondContact O-N 3.21Å; K123-N127 PolarHBondContact O-ND2 3.42Å; K123-N127 VanDerWaalsContact O-ND2 3.12Å
124	E	47	Very low	48.6	Very low	105 Å²	105	92.4 Å²	92.4	49%	0.491	45%	0.449	S	S	.	.	H	α-helix	trans	-66.1	-43.2	177.5	-145.1	168.1	-149.2	0	0	112.7	S122 N127 K128 A146	S122-E124 PolarHBondContact O-N 2.85Å; S122-E124 VanDerWaalsContact OG-CB 3.26Å; S122-E124 WeakPolarHBondContact OG-CB 3.38Å; S122-E124 PolarHBondContact OG-N 3.33Å; E124-N127 PolarHBondContact O-N 3.03Å; E124-K128 WeakPolarHBondContact O-CG 3.23Å; E124-K128 PolarHBondContact O-N 2.8Å; E124-A146 HydrophobicContact CG-CB 4.48Å
125	V	49.7	Very low	48.5	Very low	59 Å²	59	89.1 Å²	89.1	36%	0.358	45%	0.448	S	S	.	.	H	α-helix	trans	-69.9	-44.6	175.7	176	0	0	0	0	109.6	I115 I121 S122 N127 K128 I129	I115-V125 HydrophobicContact CG2-CG1 4.25Å; I121-V125 HydrophobicContact CG2-CB 3.46Å; I121-V125 VanDerWaalsContact CG2-CB 3.46Å; I121-V125 HydrophobicContact CG2-CG1 3.47Å; I121-V125 VanDerWaalsContact CG2-CG1 3.47Å; I121-V125 HydrophobicContact CG2-CG2 4.48Å; S122-V125 PolarHBondContact O-N 2.9Å; V125-N127 PolarHBondContact O-N 3.07Å; V125-K128 WeakPolarHBondContact O-CB 3.08Å; V125-K128 PolarHBondContact O-N 3.34Å; V125-K128 VanDerWaalsContact O-N 3.09Å; V125-I129 HydrophobicContact CG1-CD1 4.04Å; V125-I129 HydrophobicContact CG1-CG1 4.34Å; V125-I129 WeakPolarHBondContact O-CG1 3.42Å; V125-I129 PolarHBondContact O-N 3.17Å
126	I	54.7	Low	48.7	Very low	66 Å²	66	93.8 Å²	93.8	34%	0.338	46%	0.462	S	S	.	.	H	α-helix	trans	-55.9	-39.3	173.3	-65.1	173.4	0	0	0	111.3	I121 S122 I129 N130	I121-I126 HydrophobicContact CB-CG1 4.41Å; I121-I126 HydrophobicContact CG2-CD1 4.45Å; I121-I126 HydrophobicContact CG2-CG1 3.7Å; S122-I126 PolarHBondContact O-N 3.05Å; I126-I129 PolarHBondContact O-N 2.81Å; I126-N130 WeakPolarHBondContact CG2-ND2 3.32Å; I126-N130 VanDerWaalsContact O-CB 3.24Å; I126-N130 WeakPolarHBondContact O-CB 3.26Å; I126-N130 VanDerWaalsContact O-CG 3.3Å; I126-N130 PolarHBondContact O-N 2.85Å; I126-N130 PolarHBondContact O-ND2 3.33Å
127	N	54	Low	49.3	Very low	41 Å²	41	97.6 Å²	97.6	22%	0.219	48%	0.482	C	S	.	.	H	α-helix	trans	-71.4	-37.5	177.9	-72.8	-24.1	0	0	0	112.6	K123 E124 V125 N130 N131 A146	K123-N127 VanDerWaalsContact O-CB 3.3Å; K123-N127 WeakPolarHBondContact O-CB 3.45Å; K123-N127 PolarHBondContact O-N 3.21Å; K123-N127 PolarHBondContact O-ND2 3.42Å; K123-N127 VanDerWaalsContact O-ND2 3.12Å; E124-N127 PolarHBondContact O-N 3.03Å; V125-N127 PolarHBondContact O-N 3.07Å; N127-N130 PolarHBondContact O-N 3.05Å; N127-N131 PolarHBondContact O-N 2.77Å; N127-N131 PolarHBondContact O-ND2 2.84Å; N127-N131 PolarHBondContact O-OD1 3.44Å; N127-A146 WeakPolarHBondContact CB-O 3.46Å; N127-A146 VanDerWaalsContact ND2-C 3.3Å; N127-A146 WeakPolarHBondContact ND2-CB 3.33Å; N127-A146 PolarHBondContact ND2-O 3.19Å
128	K	54.8	Low	49.9	Very low	128 Å²	128	97.2 Å²	97.2	56%	0.557	46%	0.461	S	S	*	.	H	α-helix	trans	-61.6	-45.3	170.4	-74	176.1	179.6	-179.5	0	111.6	E124 V125 N130 N131 I132	E124-K128 WeakPolarHBondContact O-CG 3.23Å; E124-K128 PolarHBondContact O-N 2.8Å; V125-K128 WeakPolarHBondContact O-CB 3.08Å; V125-K128 PolarHBondContact O-N 3.34Å; V125-K128 VanDerWaalsContact O-N 3.09Å; K128-N130 PolarHBondContact O-N 2.97Å; K128-N131 WeakPolarHBondContact O-CB 3.29Å; K128-N131 PolarHBondContact O-N 3.24Å; K128-N131 VanDerWaalsContact O-N 3.16Å; K128-I132 WeakPolarHBondContact O-CG1 3.22Å; K128-I132 PolarHBondContact O-N 2.92Å; K128-I132 VanDerWaalsContact O-N 3.16Å
129	I	57.3	Low	51	Low	5 Å²	5	95.6 Å²	95.6	3%	0.026	46%	0.458	C	S	.	.	H	α-helix	trans	-59.8	-47.7	175	-61.6	173.1	0	0	0	110.9	L112 I115 K116 V125 I126 N131 I132 E133	L112-I129 HydrophobicContact CB-CG2 3.88Å; L112-I129 HydrophobicContact CD1-CG2 4.19Å; L112-I129 HydrophobicContact CD2-CB 3.98Å; L112-I129 HydrophobicContact CD2-CD1 4.45Å; L112-I129 HydrophobicContact CD2-CG1 3.65Å; L112-I129 HydrophobicContact CD2-CG2 3.71Å; L112-I129 HydrophobicContact CG-CG2 4.13Å; I115-I129 HydrophobicContact CB-CD1 3.91Å; I115-I129 HydrophobicContact CG2-CD1 3.35Å; I115-I129 HydrophobicContact CG2-CG1 4.45Å; K116-I129 HydrophobicContact CD-CG2 4.41Å; K116-I129 HydrophobicContact CG-CD1 4.38Å; K116-I129 HydrophobicContact CG-CG2 4.24Å; V125-I129 HydrophobicContact CG1-CD1 4.04Å; V125-I129 HydrophobicContact CG1-CG1 4.34Å; V125-I129 WeakPolarHBondContact O-CG1 3.42Å; V125-I129 PolarHBondContact O-N 3.17Å; I126-I129 PolarHBondContact O-N 2.81Å; I129-N131 PolarHBondContact O-N 3.32Å; I129-I132 PolarHBondContact O-N 2.89Å; I129-I132 VanDerWaalsContact O-N 3.12Å; I129-E133 HydrophobicContact CG2-CG 4.27Å; I129-E133 WeakPolarHBondContact O-CG 3.23Å; I129-E133 PolarHBondContact O-N 3.17Å
130	N	53.3	Low	52.2	Low	35 Å²	35	87.5 Å²	87.5	19%	0.187	43%	0.429	C	S	.	.	H	α-helix	trans	-62.1	-23.7	177.7	-88.3	-51	0	0	0	114.2	I126 N127 K128 R134	I126-N130 WeakPolarHBondContact CG2-ND2 3.32Å; I126-N130 VanDerWaalsContact O-CB 3.24Å; I126-N130 WeakPolarHBondContact O-CB 3.26Å; I126-N130 VanDerWaalsContact O-CG 3.3Å; I126-N130 PolarHBondContact O-N 2.85Å; I126-N130 PolarHBondContact O-ND2 3.33Å; N127-N130 PolarHBondContact O-N 3.05Å; K128-N130 PolarHBondContact O-N 2.97Å; N130-R134 VanDerWaalsContact CB-NH1 3.34Å; N130-R134 WeakPolarHBondContact O-CG 3.5Å; N130-R134 PolarHBondContact O-NH1 3.49Å; N130-R134 VanDerWaalsContact O-NH1 3.07Å; N130-R134 PolarHBondContact OD1-NH1 3.15Å
131	N	53.8	Low	53.5	Low	30 Å²	30	80.7 Å²	80.7	16%	0.16	41%	0.407	C	S	.	.	H	α-helix	trans	-77.9	-41.3	174.1	-68.5	-23.9	0	0	0	111.2	N127 K128 I129 R134 R138 C148	N127-N131 PolarHBondContact O-N 2.77Å; N127-N131 PolarHBondContact O-ND2 2.84Å; N127-N131 PolarHBondContact O-OD1 3.44Å; K128-N131 WeakPolarHBondContact O-CB 3.29Å; K128-N131 PolarHBondContact O-N 3.24Å; K128-N131 VanDerWaalsContact O-N 3.16Å; I129-N131 PolarHBondContact O-N 3.32Å; N131-R134 PolarHBondContact O-N 2.89Å; N131-R138 WeakPolarHBondContact OD1-CB 3.27Å; N131-C148 WeakPolarHBondContact ND2-CB 3.45Å; N131-C148 PolarHBondContact ND2-SG 3.2Å; N131-C148 WeakPolarHBondContact OD1-CB 3.18Å
132	I	54.8	Low	54.8	Low	88 Å²	88	79 Å²	79	45%	0.451	40%	0.398	S	S	.	.	H	α-helix	trans	-67.3	-44.2	177.5	-59.2	162.4	0	0	0	110.3	V108 L112 K128 I129 R134 G135	V108-I132 HydrophobicContact CG1-CG2 3.51Å; L112-I132 HydrophobicContact CD1-CB 3.73Å; L112-I132 HydrophobicContact CD1-CD1 4.47Å; L112-I132 HydrophobicContact CD1-CG2 3.54Å; L112-I132 HydrophobicContact CD2-CD1 4.28Å; K128-I132 WeakPolarHBondContact O-CG1 3.22Å; K128-I132 PolarHBondContact O-N 2.92Å; K128-I132 VanDerWaalsContact O-N 3.16Å; I129-I132 PolarHBondContact O-N 2.89Å; I129-I132 VanDerWaalsContact O-N 3.12Å; I132-R134 PolarHBondContact O-N 3.34Å; I132-R134 VanDerWaalsContact O-N 3.12Å; I132-G135 PolarHBondContact O-N 3.26Å
133	E	50.6	Low	55.6	Low	55 Å²	55	81.1 Å²	81.1	26%	0.257	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-19.5	179.1	-74	-178.6	160.8	0	0	115	L112 K116 I129	L112-E133 HydrophobicContact CD1-CG 4.05Å; K116-E133 WeakPolarHBondContact CE-OE1 3.47Å; K116-E133 WeakPolarHBondContact CE-OE2 3.34Å; K116-E133 IonicContact NZ-OE1 2.61Å; K116-E133 PolarHBondContact NZ-OE1 3Å; K116-E133 IonicContact NZ-OE2 2.63Å; K116-E133 PolarHBondContact NZ-OE2 2.93Å; I129-E133 HydrophobicContact CG2-CG 4.27Å; I129-E133 WeakPolarHBondContact O-CG 3.23Å; I129-E133 PolarHBondContact O-N 3.17Å
134	R	45.9	Very low	56.3	Low	131 Å²	131	79.7 Å²	79.7	49%	0.494	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	8.5	-174.4	-74.6	-174.1	177.4	83.2	-0.9	113.9	N130 N131 I132 R136	N130-R134 VanDerWaalsContact CB-NH1 3.34Å; N130-R134 WeakPolarHBondContact O-CG 3.5Å; N130-R134 PolarHBondContact O-NH1 3.49Å; N130-R134 VanDerWaalsContact O-NH1 3.07Å; N130-R134 PolarHBondContact OD1-NH1 3.15Å; N131-R134 PolarHBondContact O-N 2.89Å; I132-R134 PolarHBondContact O-N 3.34Å; I132-R134 VanDerWaalsContact O-N 3.12Å; R134-R136 WeakPolarHBondContact O-CG 3.42Å; R134-R136 PolarHBondContact O-N 3.02Å
135	G	43.6	Very low	57.6	Low	67 Å²	67	76.9 Å²	76.9	69%	0.691	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	27.1	176.2	0	0	0	0	0	113.4	I132	I132-G135 PolarHBondContact O-N 3.26Å
136	R	43.3	Very low	58.5	Low	157 Å²	157	74.7 Å²	74.7	59%	0.592	39%	0.386	S	S	*	.	S	Bend	trans	-136.5	113.7	-176.2	-73.7	-178.9	-160	169.9	7.4	107	R134 R138	R134-R136 WeakPolarHBondContact O-CG 3.42Å; R134-R136 PolarHBondContact O-N 3.02Å; R136-R138 PolarHBondContact O-N 3.37Å
137	E	51.5	Low	59.3	Low	174 Å²	174	77.3 Å²	77.3	81%	0.813	40%	0.395	S	S	*	.			trans	-50.3	85.9	162.9	-72.1	178.4	168.6	0	0	109.9	S139	E137-S139 PolarHBondContact O-N 3.19Å
138	R	52.1	Low	60	Low	53 Å²	53	76.7 Å²	76.7	20%	0.2	39%	0.393	C	S	.	.			trans	-88.6	68	165.3	-71.4	-171.4	177.4	86.6	-2.4	107.1	N131 R136 Y140 C148 F149 T150	N131-R138 WeakPolarHBondContact OD1-CB 3.27Å; R136-R138 PolarHBondContact O-N 3.37Å; R138-Y140 PolarHBondContact O-N 3.1Å; R138-C148 HydrophobicContact CB-CB 3.81Å; R138-F149 CarbonylContact C-O 3.57Å; R138-F149 VanDerWaalsContact C-O 3.27Å; R138-F149 VanDerWaalsContact CA-O 3.24Å; R138-F149 WeakPolarHBondContact CA-O 3.44Å; R138-T150 HydrophobicContact CG-CG2 3.78Å
139	S	65	Low	60.8	Low	80 Å²	80	72.9 Å²	72.9	56%	0.559	38%	0.377	S	S	*	.			trans	-69.7	-2.9	-169.5	-43.8	0	0	0	0	114.2	E137	E137-S139 PolarHBondContact O-N 3.19Å
140	Y	67.7	Low	61.5	Low	89 Å²	89	77 Å²	77	35%	0.349	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	99.6	-173.4	-57.2	-77.5	0	0	0	110.9	R138 C148 F149 N152	R138-Y140 PolarHBondContact O-N 3.1Å; Y140-C148 CarbonylContact O-C 3.59Å; Y140-C148 WeakPolarHBondContact O-CA 3.19Å; Y140-F149 PolarHBondContact N-O 3.26Å; Y140-F149 PolarHBondContact O-N 2.89Å; Y140-N152 HydrophobicContact CD1-CB 3.78Å; Y140-N152 HydrophobicContact CD2-CB 4.42Å; Y140-N152 HydrophobicContact CE1-CB 3.48Å; Y140-N152 VanDerWaalsContact CE1-CB 3.48Å; Y140-N152 HydrophobicContact CE2-CB 4.13Å; Y140-N152 HydrophobicContact CG-CB 4.23Å
141	S	72.5	Confident	62.5	Low	65 Å²	65	77.3 Å²	77.3	46%	0.455	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	140	178	53.3	0	0	0	0	112.2	P143 K147 L155	S141-P143 WeakPolarHBondContact O-CD 3.36Å; S141-K147 CarbonylContact C-O 3.6Å; S141-K147 WeakPolarHBondContact CA-O 3.28Å; S141-L155 VanDerWaalsContact C-CD1 3.45Å; S141-L155 WeakPolarHBondContact O-CD1 3.38Å
142	C	74.3	Confident	63.6	Low	1 Å²	1	79 Å²	79	1%	0.007	42%	0.416	C	S	.	.			trans	-73.1	123.4	172.6	175.1	0	0	0	0	111.6	Q144 C145 A146 K147 L155 H158 M159 H162	C142-Q144 PolarHBondContact O-N 3.06Å; C142-Q144 PolarHBondContact SG-N 2.72Å; C142-C145 PolarHBondContact SG-N 3.41Å; C142-A146 WeakPolarHBondContact O-CA 3.48Å; C142-A146 PolarHBondContact O-N 3.28Å; C142-K147 HydrophobicContact CB-CB 4.44Å; C142-K147 PolarHBondContact N-O 3.32Å; C142-L155 HydrophobicContact CB-CD1 4.08Å; C142-H158 VanDerWaalsContact CB-NE2 3.28Å; C142-H158 WeakPolarHBondContact CB-NE2 3.26Å; C142-H158 PolarHBondContact SG-NE2 3.19Å; C142-M159 HydrophobicContact CB-CE 3.75Å; C142-M159 VanDerWaalsContact SG-CE 3.59Å; C142-H162 PolarHBondContact SG-CD2 3.27Å; C142-H162 PolarHBondContact SG-NE2 2.97Å
143	P	69.6	Low	64.5	Low	106 Å²	106	78.2 Å²	78.2	69%	0.688	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-21.4	178	24	-30.9	0	0	0	113.5	S141	S141-P143 WeakPolarHBondContact O-CD 3.36Å
144	Q	66.5	Low	65.8	Low	138 Å²	138	76.2 Å²	76.2	65%	0.645	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	-22.4	-176.2	-165.8	172.9	-16.9	0	0	114.5	C142 H162	C142-Q144 PolarHBondContact O-N 3.06Å; C142-Q144 PolarHBondContact SG-N 2.72Å; Q144-H162 PolarHBondContact NE2-ND1 2.89Å; Q144-H162 VanDerWaalsContact OE1-CB 3.25Å; Q144-H162 PolarHBondContact OE1-ND1 3.33Å
145	C	74.1	Confident	67.3	Low	47 Å²	47	71.1 Å²	71.1	32%	0.318	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135	5.4	176.2	72.7	0	0	0	0	115.3	C142 K147 H158 H162	C142-C145 PolarHBondContact SG-N 3.41Å; C145-K147 PolarHBondContact O-N 3Å; C145-K147 VanDerWaalsContact SG-CG 3.53Å; C145-H158 PolarHBondContact SG-CE1 3.46Å; C145-H158 PolarHBondContact SG-NE2 3.44Å; C145-H162 PolarHBondContact SG-NE2 3.18Å
146	A	69.9	Low	68.7	Low	12 Å²	12	72.3 Å²	72.3	10%	0.099	38%	0.382	C	S	.	.			trans	57.1	10.7	-179.2	0	0	0	0	0	115.4	E124 N127 C142 C148	E124-A146 HydrophobicContact CG-CB 4.48Å; N127-A146 WeakPolarHBondContact CB-O 3.46Å; N127-A146 VanDerWaalsContact ND2-C 3.3Å; N127-A146 WeakPolarHBondContact ND2-CB 3.33Å; N127-A146 PolarHBondContact ND2-O 3.19Å; C142-A146 WeakPolarHBondContact O-CA 3.48Å; C142-A146 PolarHBondContact O-N 3.28Å; A146-C148 PolarHBondContact O-N 3.42Å; A146-C148 PolarHBondContact O-SG 2.89Å
147	K	70	Confident	70	Confident	122 Å²	122	68.5 Å²	68.5	53%	0.53	37%	0.371	S	S	.	.			trans	-62.4	135.1	173.1	-77.2	180	-176	175	0	110.7	S141 C142 C145 F149	S141-K147 CarbonylContact C-O 3.6Å; S141-K147 WeakPolarHBondContact CA-O 3.28Å; C142-K147 HydrophobicContact CB-CB 4.44Å; C142-K147 PolarHBondContact N-O 3.32Å; C145-K147 PolarHBondContact O-N 3Å; C145-K147 VanDerWaalsContact SG-CG 3.53Å; K147-F149 HydrophobicContact CB-CE2 3.79Å; K147-F149 HydrophobicContact CB-CZ 4.1Å; K147-F149 WeakPolarHBondContact O-CD2 3.32Å; K147-F149 WeakPolarHBondContact O-CE2 3.38Å
148	C	69.2	Low	71.2	Confident	27 Å²	27	60.8 Å²	60.8	18%	0.182	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	137.4	-175.1	-59.4	0	0	0	0	111.4	N131 R138 Y140 A146	N131-C148 WeakPolarHBondContact ND2-CB 3.45Å; N131-C148 PolarHBondContact ND2-SG 3.2Å; N131-C148 WeakPolarHBondContact OD1-CB 3.18Å; R138-C148 HydrophobicContact CB-CB 3.81Å; Y140-C148 CarbonylContact O-C 3.59Å; Y140-C148 WeakPolarHBondContact O-CA 3.19Å; A146-C148 PolarHBondContact O-N 3.42Å; A146-C148 PolarHBondContact O-SG 2.89Å
149	F	72	Confident	72.2	Confident	48 Å²	48	60.8 Å²	60.8	21%	0.211	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	145.3	-175.5	-62.4	-92.9	0	0	0	110.1	R138 Y140 K147 S151 L155 H158	R138-F149 CarbonylContact C-O 3.57Å; R138-F149 VanDerWaalsContact C-O 3.27Å; R138-F149 VanDerWaalsContact CA-O 3.24Å; R138-F149 WeakPolarHBondContact CA-O 3.44Å; Y140-F149 PolarHBondContact N-O 3.26Å; Y140-F149 PolarHBondContact O-N 2.89Å; K147-F149 HydrophobicContact CB-CE2 3.79Å; K147-F149 HydrophobicContact CB-CZ 4.1Å; K147-F149 WeakPolarHBondContact O-CD2 3.32Å; K147-F149 WeakPolarHBondContact O-CE2 3.38Å; F149-S151 PolarHBondContact O-N 3.19Å; F149-L155 HydrophobicContact CB-CB 4.38Å; F149-L155 HydrophobicContact CD2-CB 4.18Å; F149-L155 HydrophobicContact CD2-CD1 3.68Å; F149-L155 HydrophobicContact CE2-CD1 4.06Å; F149-L155 HydrophobicContact CG-CB 4.39Å; F149-H158 HydrophobicContact CE1-CB 3.64Å; F149-H158 HydrophobicContact CE2-CB 3.72Å; F149-H158 AromaticContact CE2-CD2 3.3Å; F149-H158 WeakPolarHBondContact CE2-CD2 3.46Å; F149-H158 AromaticContact CE2-CG 3.48Å; F149-H158 VanDerWaalsContact CE2-CG 3.48Å; F149-H158 AromaticContact CE2-NE2 3.96Å; F149-H158 HydrophobicContact CZ-CB 3.21Å; F149-H158 AromaticContact CZ-CD2 3.47Å; F149-H158 VanDerWaalsContact CZ-CD2 3.47Å; F149-H158 WeakPolarHBondContact CZ-CD2 3.37Å; F149-H158 AromaticContact CZ-CG 3.1Å; F149-H158 AromaticContact CZ-ND1 3.59Å
150	T	72.8	Confident	72.6	Confident	92 Å²	92	59.8 Å²	59.8	56%	0.564	32%	0.324	S	S	*	.	S	Bend	trans	-76.9	-6.4	176.9	53.7	0	0	0	0	113.2	R138	R138-T150 HydrophobicContact CG-CG2 3.78Å
151	S	73.3	Confident	72.6	Confident	41 Å²	41	60.3 Å²	60.3	29%	0.287	33%	0.332	S	S	.	.	S	Bend	trans	-150.1	147.6	179.6	69.5	0	0	0	0	111.4	F149 S153 G154 L155	F149-S151 PolarHBondContact O-N 3.19Å; S151-S153 PolarHBondContact O-N 3.01Å; S151-S153 PolarHBondContact OG-OG 3.41Å; S151-G154 PolarHBondContact O-N 3.43Å; S151-G154 PolarHBondContact OG-N 2.84Å; S151-G154 VanDerWaalsContact OG-N 3.16Å; S151-L155 PolarHBondContact O-N 2.9Å; S151-L155 VanDerWaalsContact O-N 3.15Å
152	N	77.8	Confident	72.5	Confident	66 Å²	66	59.3 Å²	59.3	35%	0.353	32%	0.32	S	S	.	.	H	α-helix	trans	-59.9	-36	175.5	-165.1	12.9	0	0	0	111.3	Y140 G154 L155 K156	Y140-N152 HydrophobicContact CD1-CB 3.78Å; Y140-N152 HydrophobicContact CD2-CB 4.42Å; Y140-N152 HydrophobicContact CE1-CB 3.48Å; Y140-N152 VanDerWaalsContact CE1-CB 3.48Å; Y140-N152 HydrophobicContact CE2-CB 4.13Å; Y140-N152 HydrophobicContact CG-CB 4.23Å; N152-G154 VanDerWaalsContact C-N 3.28Å; N152-G154 PolarHBondContact O-N 2.93Å; N152-L155 WeakPolarHBondContact O-CB 3.36Å; N152-L155 PolarHBondContact O-N 3.32Å; N152-K156 WeakPolarHBondContact O-CG 3.22Å; N152-K156 PolarHBondContact O-N 3.46Å
153	S	74	Confident	71.8	Confident	71 Å²	71	62.6 Å²	62.6	50%	0.497	35%	0.347	S	S	.	.	H	α-helix	trans	-60.1	-37.3	174.1	54.8	0	0	0	0	112.6	S151 Q157	S151-S153 PolarHBondContact O-N 3.01Å; S151-S153 PolarHBondContact OG-OG 3.41Å; S153-Q157 VanDerWaalsContact O-CB 3.28Å; S153-Q157 WeakPolarHBondContact O-CB 3.39Å; S153-Q157 PolarHBondContact O-N 3.29Å
154	G	76.6	Confident	71.3	Confident	14 Å²	14	62.5 Å²	62.5	14%	0.144	35%	0.349	C	S	.	.	H	α-helix	trans	-68.1	-40.6	174.8	0	0	0	0	0	112.2	S151 N152 H158	S151-G154 PolarHBondContact O-N 3.43Å; S151-G154 PolarHBondContact OG-N 2.84Å; S151-G154 VanDerWaalsContact OG-N 3.16Å; N152-G154 VanDerWaalsContact C-N 3.28Å; N152-G154 PolarHBondContact O-N 2.93Å; G154-H158 VanDerWaalsContact O-CB 3.29Å; G154-H158 WeakPolarHBondContact O-CB 3.39Å; G154-H158 PolarHBondContact O-N 3.17Å
155	L	78.1	Confident	70.6	Confident	24 Å²	24	60.5 Å²	60.5	13%	0.126	34%	0.338	C	S	.	.	H	α-helix	trans	-63.6	-50.2	174.6	-177.7	70.4	0	0	0	111.8	S141 C142 F149 S151 N152 Q157 H158 M159	S141-L155 VanDerWaalsContact C-CD1 3.45Å; S141-L155 WeakPolarHBondContact O-CD1 3.38Å; C142-L155 HydrophobicContact CB-CD1 4.08Å; F149-L155 HydrophobicContact CB-CB 4.38Å; F149-L155 HydrophobicContact CD2-CB 4.18Å; F149-L155 HydrophobicContact CD2-CD1 3.68Å; F149-L155 HydrophobicContact CE2-CD1 4.06Å; F149-L155 HydrophobicContact CG-CB 4.39Å; S151-L155 PolarHBondContact O-N 2.9Å; S151-L155 VanDerWaalsContact O-N 3.15Å; N152-L155 WeakPolarHBondContact O-CB 3.36Å; N152-L155 PolarHBondContact O-N 3.32Å; L155-Q157 VanDerWaalsContact C-N 3.32Å; L155-Q157 PolarHBondContact O-N 3.43Å; L155-H158 WeakPolarHBondContact O-CA 3.39Å; L155-H158 WeakPolarHBondContact O-CB 3.33Å; L155-H158 PolarHBondContact O-N 3.38Å; L155-M159 HydrophobicContact CD1-CE 3.15Å; L155-M159 HydrophobicContact CD2-CE 4.39Å; L155-M159 HydrophobicContact CG-CE 3.57Å; L155-M159 WeakPolarHBondContact O-CG 3.33Å; L155-M159 PolarHBondContact O-N 3.38Å
156	K	73.5	Confident	70.2	Confident	91 Å²	91	63.8 Å²	63.8	40%	0.396	35%	0.347	S	S	.	.	H	α-helix	trans	-55.7	-46.4	176.7	-74.6	-174.4	177.2	-169.4	0	111.6	N152 H158 M159 F559	N152-K156 WeakPolarHBondContact O-CG 3.22Å; N152-K156 PolarHBondContact O-N 3.46Å; K156-H158 VanDerWaalsContact C-N 3.3Å; K156-H158 PolarHBondContact O-N 2.89Å; K156-M159 WeakPolarHBondContact O-CB 3.47Å; K156-M159 PolarHBondContact O-N 3.23Å; K156-F559 HydrophobicContact CD-CE2 4Å; K156-F559 HydrophobicContact CD-CZ 3.9Å
157	Q	69	Low	69.6	Low	78 Å²	78	65.6 Å²	65.6	36%	0.364	36%	0.358	S	S	.	.	H	α-helix	trans	-64.4	-34.9	176.8	-176.3	174.9	65.6	0	0	112.7	S153 L155 H160 Q179	S153-Q157 VanDerWaalsContact O-CB 3.28Å; S153-Q157 WeakPolarHBondContact O-CB 3.39Å; S153-Q157 PolarHBondContact O-N 3.29Å; L155-Q157 VanDerWaalsContact C-N 3.32Å; L155-Q157 PolarHBondContact O-N 3.43Å; Q157-H160 WeakPolarHBondContact O-CB 3.46Å; Q157-H160 PolarHBondContact O-CD2 2.89Å; Q157-H160 PolarHBondContact O-N 3.07Å; Q157-Q179 HydrophobicContact CG-CG 3.77Å
158	H	77.3	Confident	69.4	Low	12 Å²	12	63 Å²	63	6%	0.056	35%	0.346	C	S	.	.	H	α-helix	trans	-68.7	-33.1	175.5	165.2	66.9	0	0	0	112.9	C142 C145 F149 G154 L155 K156 H160 I161 H162	C142-H158 VanDerWaalsContact CB-NE2 3.28Å; C142-H158 WeakPolarHBondContact CB-NE2 3.26Å; C142-H158 PolarHBondContact SG-NE2 3.19Å; C145-H158 PolarHBondContact SG-CE1 3.46Å; C145-H158 PolarHBondContact SG-NE2 3.44Å; F149-H158 HydrophobicContact CE1-CB 3.64Å; F149-H158 HydrophobicContact CE2-CB 3.72Å; F149-H158 AromaticContact CE2-CD2 3.3Å; F149-H158 WeakPolarHBondContact CE2-CD2 3.46Å; F149-H158 AromaticContact CE2-CG 3.48Å; F149-H158 VanDerWaalsContact CE2-CG 3.48Å; F149-H158 AromaticContact CE2-NE2 3.96Å; F149-H158 HydrophobicContact CZ-CB 3.21Å; F149-H158 AromaticContact CZ-CD2 3.47Å; F149-H158 VanDerWaalsContact CZ-CD2 3.47Å; F149-H158 WeakPolarHBondContact CZ-CD2 3.37Å; F149-H158 AromaticContact CZ-CG 3.1Å; F149-H158 AromaticContact CZ-ND1 3.59Å; G154-H158 VanDerWaalsContact O-CB 3.29Å; G154-H158 WeakPolarHBondContact O-CB 3.39Å; G154-H158 PolarHBondContact O-N 3.17Å; L155-H158 WeakPolarHBondContact O-CA 3.39Å; L155-H158 WeakPolarHBondContact O-CB 3.33Å; L155-H158 PolarHBondContact O-N 3.38Å; K156-H158 VanDerWaalsContact C-N 3.3Å; K156-H158 PolarHBondContact O-N 2.89Å; H158-H160 PolarHBondContact O-N 3.34Å; H158-H160 VanDerWaalsContact O-N 3.14Å; H158-I161 VanDerWaalsContact O-CB 3.29Å; H158-I161 WeakPolarHBondContact O-CB 3.43Å; H158-I161 PolarHBondContact O-N 2.99Å; H158-H162 AromaticContact CE1-CD2 3.9Å; H158-H162 AromaticContact CE1-NE2 3.47Å; H158-H162 PolarHBondContact CE1-NE2 3.39Å; H158-H162 AromaticContact NE2-CD2 3.59Å; H158-H162 AromaticContact NE2-NE2 3.25Å; H158-H162 PolarHBondContact NE2-NE2 3.43Å
159	M	73.9	Confident	68.8	Low	53 Å²	53	65.6 Å²	65.6	26%	0.261	36%	0.362	S	S	.	.	H	α-helix	trans	-58.9	-25.4	176.6	-66	-50.3	138	0	0	113.7	C142 L155 K156 I161 H162 A163	C142-M159 HydrophobicContact CB-CE 3.75Å; C142-M159 VanDerWaalsContact SG-CE 3.59Å; L155-M159 HydrophobicContact CD1-CE 3.15Å; L155-M159 HydrophobicContact CD2-CE 4.39Å; L155-M159 HydrophobicContact CG-CE 3.57Å; L155-M159 WeakPolarHBondContact O-CG 3.33Å; L155-M159 PolarHBondContact O-N 3.38Å; K156-M159 WeakPolarHBondContact O-CB 3.47Å; K156-M159 PolarHBondContact O-N 3.23Å; M159-I161 PolarHBondContact O-N 3.16Å; M159-H162 WeakPolarHBondContact O-CB 3.41Å; M159-H162 PolarHBondContact O-N 3.01Å; M159-A163 PolarHBondContact O-N 3.04Å
160	H	72.9	Confident	68.8	Low	58 Å²	58	63.3 Å²	63.3	27%	0.269	35%	0.352	S	S	.	.	H	α-helix	trans	-60.4	-26.1	173.2	-64.9	-41.4	0	0	0	113.4	Q157 H158 F165 T178	Q157-H160 WeakPolarHBondContact O-CB 3.46Å; Q157-H160 PolarHBondContact O-CD2 2.89Å; Q157-H160 PolarHBondContact O-N 3.07Å; H158-H160 PolarHBondContact O-N 3.34Å; H158-H160 VanDerWaalsContact O-N 3.14Å; H160-F165 WeakPolarHBondContact CB-O 3.31Å; H160-F165 AromaticContact ND1-CD1 3.72Å; H160-F165 PolarHBondContact O-N 3.28Å; H160-F165 VanDerWaalsContact O-O 3.13Å; H160-T178 HydrophobicContact CB-CG2 4.07Å
161	I	67	Low	68.4	Low	100 Å²	100	66.4 Å²	66.4	51%	0.513	36%	0.36	S	S	.	.	H	α-helix	trans	-69.6	-38.9	175	-58.7	175.1	0	0	0	110.3	H158 M159 T178	H158-I161 VanDerWaalsContact O-CB 3.29Å; H158-I161 WeakPolarHBondContact O-CB 3.43Å; H158-I161 PolarHBondContact O-N 2.99Å; M159-I161 PolarHBondContact O-N 3.16Å; I161-T178 HydrophobicContact CG1-CG2 4.18Å
162	H	70	Confident	68	Low	45 Å²	45	69.1 Å²	69.1	21%	0.208	37%	0.374	C	S	.	.	H	α-helix	trans	-74.6	-39.8	180	-77.2	-58.6	0	0	0	113.3	C142 Q144 C145 H158 M159 S164	C142-H162 PolarHBondContact SG-CD2 3.27Å; C142-H162 PolarHBondContact SG-NE2 2.97Å; Q144-H162 PolarHBondContact NE2-ND1 2.89Å; Q144-H162 VanDerWaalsContact OE1-CB 3.25Å; Q144-H162 PolarHBondContact OE1-ND1 3.33Å; C145-H162 PolarHBondContact SG-NE2 3.18Å; H158-H162 AromaticContact CE1-CD2 3.9Å; H158-H162 AromaticContact CE1-NE2 3.47Å; H158-H162 PolarHBondContact CE1-NE2 3.39Å; H158-H162 AromaticContact NE2-CD2 3.59Å; H158-H162 AromaticContact NE2-NE2 3.25Å; H158-H162 PolarHBondContact NE2-NE2 3.43Å; M159-H162 WeakPolarHBondContact O-CB 3.41Å; M159-H162 PolarHBondContact O-N 3.01Å; H162-S164 PolarHBondContact O-N 3.5Å; H162-S164 VanDerWaalsContact O-N 3.12Å
163	A	59.4	Low	67.7	Low	69 Å²	69	67.7 Å²	67.7	57%	0.57	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	4	176.6	0	0	0	0	0	113.4	M159 F165	M159-A163 PolarHBondContact O-N 3.04Å; A163-F165 HydrophobicContact CB-CB 3.77Å; A163-F165 PolarHBondContact O-N 2.82Å
164	S	59.1	Low	67.4	Low	104 Å²	104	70.7 Å²	70.7	73%	0.727	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.4	22.7	-167.8	-63.8	0	0	0	0	113	H162	H162-S164 PolarHBondContact O-N 3.5Å; H162-S164 VanDerWaalsContact O-N 3.12Å
165	F	52.2	Low	66.9	Low	97 Å²	97	75.6 Å²	75.6	43%	0.425	39%	0.393	S	S	.	.			trans	-96.8	115.1	-166.8	-175.5	-111.9	0	0	0	108.5	H160 A163 P167	H160-F165 WeakPolarHBondContact CB-O 3.31Å; H160-F165 AromaticContact ND1-CD1 3.72Å; H160-F165 PolarHBondContact O-N 3.28Å; H160-F165 VanDerWaalsContact O-O 3.13Å; A163-F165 HydrophobicContact CB-CB 3.77Å; A163-F165 PolarHBondContact O-N 2.82Å; F165-P167 HydrophobicContact CD1-CB 4.39Å; F165-P167 HydrophobicContact CD1-CG 4.16Å; F165-P167 HydrophobicContact CE1-CB 3.69Å; F165-P167 HydrophobicContact CE1-CG 3.86Å; F165-P167 HydrophobicContact CZ-CB 4Å; F165-P167 WeakPolarHBondContact O-CD 3.22Å
166	K	66.4	Low	66.3	Low	115 Å²	115	76 Å²	76	50%	0.5	40%	0.4	S	S	.	.			trans	-120.6	81.8	-176.8	-69.4	174.6	178.1	-179.9	0	108.8	F168 A176 Y177 T178	K166-F168 PolarHBondContact O-N 3.39Å; K166-F168 VanDerWaalsContact O-N 3.08Å; K166-A176 HydrophobicContact CB-CB 3.44Å; K166-A176 VanDerWaalsContact CB-CB 3.44Å; K166-A176 HydrophobicContact CD-CB 3.89Å; K166-A176 WeakPolarHBondContact CD-O 3.37Å; K166-A176 HydrophobicContact CG-CB 4.32Å; K166-Y177 CarbonylContact C-O 3.27Å; K166-Y177 WeakPolarHBondContact CA-O 3.44Å; K166-T178 HydrophobicContact CG-CG2 3.92Å
167	P	56.8	Low	66	Low	51 Å²	51	74 Å²	74	33%	0.331	39%	0.39	S	S	.	.			trans	-66	-15	-171	22.5	-30.4	0	0	0	113.7	F165	F165-P167 HydrophobicContact CD1-CB 4.39Å; F165-P167 HydrophobicContact CD1-CG 4.16Å; F165-P167 HydrophobicContact CE1-CB 3.69Å; F165-P167 HydrophobicContact CE1-CG 3.86Å; F165-P167 HydrophobicContact CZ-CB 4Å; F165-P167 WeakPolarHBondContact O-CD 3.22Å
168	F	66.5	Low	65.7	Low	66 Å²	66	71.6 Å²	71.6	29%	0.289	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	94.1	-174.4	-55.8	-70.4	0	0	0	110.8	K166 A176 Y177 F180 L183	K166-F168 PolarHBondContact O-N 3.39Å; K166-F168 VanDerWaalsContact O-N 3.08Å; F168-A176 CarbonylContact O-C 3.43Å; F168-A176 WeakPolarHBondContact O-CA 3.4Å; F168-Y177 PolarHBondContact N-O 2.98Å; F168-Y177 VanDerWaalsContact N-O 3.14Å; F168-Y177 PolarHBondContact O-N 2.87Å; F168-F180 HydrophobicContact CD1-CB 3.94Å; F168-F180 AromaticContact CD1-CD2 3.8Å; F168-F180 HydrophobicContact CD1-CD2 3.8Å; F168-F180 HydrophobicContact CD1-CG 4.38Å; F168-F180 HydrophobicContact CD2-CB 4.42Å; F168-F180 HydrophobicContact CE1-CB 3.73Å; F168-F180 HydrophobicContact CE1-CD2 4.01Å; F168-F180 HydrophobicContact CE1-CG 4.32Å; F168-F180 HydrophobicContact CE2-CB 4.22Å; F168-F180 VanDerWaalsContact CE2-N 3.29Å; F168-F180 HydrophobicContact CG-CB 4.27Å; F168-F180 HydrophobicContact CZ-CB 3.87Å; F168-L183 HydrophobicContact CB-CB 3.95Å; F168-L183 HydrophobicContact CB-CD2 3.89Å; F168-L183 HydrophobicContact CB-CG 4.49Å
169	T	57.2	Low	65.2	Low	82 Å²	82	73.4 Å²	73.4	50%	0.503	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	144.2	176.9	53.9	0	0	0	0	111.3	A176	T169-A176 HydrophobicContact CG2-CB 3.94Å
170	C	70.1	Confident	65	Low	1 Å²	1	76.5 Å²	76.5	1%	0.007	40%	0.401	C	S	.	.			trans	-85.7	123.5	170.6	-170.9	0	0	0	0	111	V172 H174 K175 L183 H186 H190	C170-V172 PolarHBondContact O-N 2.92Å; C170-H174 WeakPolarHBondContact O-CA 3.3Å; C170-H174 PolarHBondContact O-N 3.13Å; C170-K175 WeakPolarHBondContact CB-O 3.49Å; C170-K175 PolarHBondContact N-O 3.39Å; C170-L183 HydrophobicContact CB-CD1 3.76Å; C170-H186 WeakPolarHBondContact CB-NE2 3.38Å; C170-H186 VanDerWaalsContact SG-CD2 3.55Å; C170-H186 PolarHBondContact SG-NE2 3.35Å; C170-H186 VanDerWaalsContact SG-NE2 3.39Å; C170-H190 PolarHBondContact SG-NE2 3.39Å
171	Q	66.3	Low	64.9	Low	156 Å²	156	76.9 Å²	76.9	73%	0.729	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-16.4	179.3	-69.8	169.2	-27.4	0	0	114.2
172	V	63.2	Low	65.3	Low	98 Å²	98	73.7 Å²	73.7	59%	0.594	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-36.2	-176.1	179.1	0	0	0	0	112.7	C170	C170-V172 PolarHBondContact O-N 2.92Å
173	C	72.8	Confident	65.5	Low	37 Å²	37	72 Å²	72	25%	0.25	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.4	8.4	-179.9	74	0	0	0	0	113.9	K175 H186 H190	C173-K175 PolarHBondContact O-N 3.48Å; C173-K175 VanDerWaalsContact SG-CG 3.56Å; C173-H186 PolarHBondContact SG-CE1 3.29Å; C173-H186 PolarHBondContact SG-NE2 2.94Å; C173-H190 VanDerWaalsContact SG-CE1 3.57Å
174	H	66.9	Low	66	Low	133 Å²	133	70.7 Å²	70.7	62%	0.616	37%	0.373	S	S	*	.			trans	59.3	11.8	177.1	-51.4	-68.4	0	0	0	115.6	C170 A176	C170-H174 WeakPolarHBondContact O-CA 3.3Å; C170-H174 PolarHBondContact O-N 3.13Å; H174-A176 PolarHBondContact O-N 2.61Å
175	K	66.4	Low	66.5	Low	117 Å²	117	73.2 Å²	73.2	51%	0.509	37%	0.367	S	S	.	.			trans	-67.7	127.3	172.9	-72	-177.4	-177	-176.7	0	110.8	C170 C173 Y177	C170-K175 WeakPolarHBondContact CB-O 3.49Å; C170-K175 PolarHBondContact N-O 3.39Å; C173-K175 PolarHBondContact O-N 3.48Å; C173-K175 VanDerWaalsContact SG-CG 3.56Å; K175-Y177 HydrophobicContact CB-CE2 3.83Å; K175-Y177 WeakPolarHBondContact O-CD2 2.92Å; K175-Y177 VanDerWaalsContact O-CE2 3.26Å; K175-Y177 WeakPolarHBondContact O-CE2 3.26Å
176	A	64.5	Low	67.6	Low	34 Å²	34	69.2 Å²	69.2	28%	0.281	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	145.4	179.5	0	0	0	0	0	112.2	K166 F168 T169 H174	K166-A176 HydrophobicContact CB-CB 3.44Å; K166-A176 VanDerWaalsContact CB-CB 3.44Å; K166-A176 HydrophobicContact CD-CB 3.89Å; K166-A176 WeakPolarHBondContact CD-O 3.37Å; K166-A176 HydrophobicContact CG-CB 4.32Å; F168-A176 CarbonylContact O-C 3.43Å; F168-A176 WeakPolarHBondContact O-CA 3.4Å; T169-A176 HydrophobicContact CG2-CB 3.94Å; H174-A176 PolarHBondContact O-N 2.61Å
177	Y	68.2	Low	67.7	Low	49 Å²	49	68.2 Å²	68.2	19%	0.192	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	146.6	-176.6	-62.2	-84.8	0	0	0	111.3	K166 F168 K175 Q179 N182 L183 H186	K166-Y177 CarbonylContact C-O 3.27Å; K166-Y177 WeakPolarHBondContact CA-O 3.44Å; F168-Y177 PolarHBondContact N-O 2.98Å; F168-Y177 VanDerWaalsContact N-O 3.14Å; F168-Y177 PolarHBondContact O-N 2.87Å; K175-Y177 HydrophobicContact CB-CE2 3.83Å; K175-Y177 WeakPolarHBondContact O-CD2 2.92Å; K175-Y177 VanDerWaalsContact O-CE2 3.26Å; K175-Y177 WeakPolarHBondContact O-CE2 3.26Å; Y177-Q179 VanDerWaalsContact C-N 3.31Å; Y177-N182 HydrophobicContact CD1-CB 3.77Å; Y177-N182 HydrophobicContact CG-CB 4.21Å; Y177-L183 HydrophobicContact CD2-CB 4.04Å; Y177-L183 HydrophobicContact CD2-CD1 3.97Å; Y177-L183 HydrophobicContact CE2-CD1 4.25Å; Y177-L183 HydrophobicContact CG-CB 4.4Å; Y177-H186 HydrophobicContact CE1-CB 4.08Å; Y177-H186 HydrophobicContact CE2-CB 3.73Å; Y177-H186 AromaticContact CE2-CD2 3.45Å; Y177-H186 VanDerWaalsContact CE2-CD2 3.45Å; Y177-H186 WeakPolarHBondContact CE2-CD2 3.2Å; Y177-H186 AromaticContact CE2-CG 3.53Å; Y177-H186 VanDerWaalsContact CZ-CB 3.47Å; Y177-H186 AromaticContact CZ-CD2 3.79Å; Y177-H186 AromaticContact CZ-CG 3.37Å; Y177-H186 AromaticContact CZ-ND1 3.78Å; Y177-H186 WeakPolarHBondContact OH-CB 3.4Å; Y177-H186 PolarHBondContact OH-CE1 3.28Å; Y177-H186 PolarHBondContact OH-ND1 3.2Å
178	T	62.8	Low	68.3	Low	26 Å²	26	74.6 Å²	74.6	16%	0.16	36%	0.362	C	S	.	.	S	Bend	trans	-78.6	-13.4	175.4	53.3	0	0	0	0	113.4	H160 I161 K166	H160-T178 HydrophobicContact CB-CG2 4.07Å; I161-T178 HydrophobicContact CG1-CG2 4.18Å; K166-T178 HydrophobicContact CG-CG2 3.92Å
179	Q	67.7	Low	67.8	Low	50 Å²	50	75.8 Å²	75.8	23%	0.234	37%	0.371	C	S	.	.	S	Bend	trans	-138.3	139.7	-178.2	-47.7	-175.1	-8.1	0	0	111.1	Q157 Y177 S181 N182 L183	Q157-Q179 HydrophobicContact CG-CG 3.77Å; Y177-Q179 VanDerWaalsContact C-N 3.31Å; Q179-S181 VanDerWaalsContact C-N 3.31Å; Q179-S181 PolarHBondContact O-N 3.21Å; Q179-S181 PolarHBondContact OE1-OG 2.92Å; Q179-N182 HydrophobicContact CB-CB 4.39Å; Q179-N182 WeakPolarHBondContact O-CB 3.34Å; Q179-N182 PolarHBondContact O-N 3.4Å; Q179-N182 VanDerWaalsContact O-N 3.12Å; Q179-L183 PolarHBondContact O-N 3.41Å
180	F	68.6	Low	67.9	Low	119 Å²	119	73.3 Å²	73.3	52%	0.522	35%	0.354	S	S	.	.	H	α-helix	trans	-62.1	-36.7	177	-175.5	-106.9	0	0	0	112.7	F168 N182 L183 C184	F168-F180 HydrophobicContact CD1-CB 3.94Å; F168-F180 AromaticContact CD1-CD2 3.8Å; F168-F180 HydrophobicContact CD1-CD2 3.8Å; F168-F180 HydrophobicContact CD1-CG 4.38Å; F168-F180 HydrophobicContact CD2-CB 4.42Å; F168-F180 HydrophobicContact CE1-CB 3.73Å; F168-F180 HydrophobicContact CE1-CD2 4.01Å; F168-F180 HydrophobicContact CE1-CG 4.32Å; F168-F180 HydrophobicContact CE2-CB 4.22Å; F168-F180 VanDerWaalsContact CE2-N 3.29Å; F168-F180 HydrophobicContact CG-CB 4.27Å; F168-F180 HydrophobicContact CZ-CB 3.87Å; F180-N182 PolarHBondContact O-N 2.78Å; F180-L183 HydrophobicContact CD2-CD2 4.3Å; F180-L183 HydrophobicContact CE2-CD2 4.41Å; F180-L183 CarbonylContact O-C 3.52Å; F180-L183 WeakPolarHBondContact O-CB 3.36Å; F180-L183 PolarHBondContact O-N 3.43Å; F180-L183 VanDerWaalsContact O-N 3.11Å; F180-C184 WeakPolarHBondContact CE1-SG 3.23Å; F180-C184 VanDerWaalsContact CZ-SG 3.53Å; F180-C184 PolarHBondContact O-N 2.88Å
181	S	71.5	Confident	66.8	Low	66 Å²	66	80 Å²	80	46%	0.462	38%	0.383	S	S	.	.	H	α-helix	trans	-56.8	-37.7	174.4	55.9	0	0	0	0	112.4	Q179 C184 R185	Q179-S181 VanDerWaalsContact C-N 3.31Å; Q179-S181 PolarHBondContact O-N 3.21Å; Q179-S181 PolarHBondContact OE1-OG 2.92Å; S181-C184 PolarHBondContact O-N 3.17Å; S181-R185 WeakPolarHBondContact O-CB 3.5Å; S181-R185 PolarHBondContact O-N 2.83Å
182	N	74.9	Confident	65.7	Low	33 Å²	33	82.8 Å²	82.8	18%	0.176	39%	0.387	C	S	.	.	H	α-helix	trans	-71.3	-40.3	176	-70.4	-33.1	0	0	0	111.7	Y177 Q179 F180 R185 H186	Y177-N182 HydrophobicContact CD1-CB 3.77Å; Y177-N182 HydrophobicContact CG-CB 4.21Å; Q179-N182 HydrophobicContact CB-CB 4.39Å; Q179-N182 WeakPolarHBondContact O-CB 3.34Å; Q179-N182 PolarHBondContact O-N 3.4Å; Q179-N182 VanDerWaalsContact O-N 3.12Å; F180-N182 PolarHBondContact O-N 2.78Å; N182-R185 PolarHBondContact O-N 2.87Å; N182-R185 PolarHBondContact OD1-NH2 2.93Å; N182-H186 VanDerWaalsContact O-CB 3.23Å; N182-H186 WeakPolarHBondContact O-CB 3.18Å; N182-H186 PolarHBondContact O-N 3.5Å
183	L	73.4	Confident	64.5	Low	10 Å²	10	80.9 Å²	80.9	5%	0.052	38%	0.377	C	S	.	.	H	α-helix	trans	-61.2	-46.4	170.8	174.2	63.5	0	0	0	111.2	F168 C170 Y177 Q179 F180 R185 H186 K187	F168-L183 HydrophobicContact CB-CB 3.95Å; F168-L183 HydrophobicContact CB-CD2 3.89Å; F168-L183 HydrophobicContact CB-CG 4.49Å; C170-L183 HydrophobicContact CB-CD1 3.76Å; Y177-L183 HydrophobicContact CD2-CB 4.04Å; Y177-L183 HydrophobicContact CD2-CD1 3.97Å; Y177-L183 HydrophobicContact CE2-CD1 4.25Å; Y177-L183 HydrophobicContact CG-CB 4.4Å; Q179-L183 PolarHBondContact O-N 3.41Å; F180-L183 HydrophobicContact CD2-CD2 4.3Å; F180-L183 HydrophobicContact CE2-CD2 4.41Å; F180-L183 CarbonylContact O-C 3.52Å; F180-L183 WeakPolarHBondContact O-CB 3.36Å; F180-L183 PolarHBondContact O-N 3.43Å; F180-L183 VanDerWaalsContact O-N 3.11Å; L183-R185 PolarHBondContact O-N 3.35Å; L183-H186 CarbonylContact O-C 3.56Å; L183-H186 WeakPolarHBondContact O-CB 3.48Å; L183-H186 PolarHBondContact O-N 2.93Å; L183-K187 HydrophobicContact CD1-CG 4.19Å; L183-K187 HydrophobicContact CG-CD 4.48Å; L183-K187 HydrophobicContact CG-CG 4.45Å; L183-K187 WeakPolarHBondContact O-CG 3.31Å; L183-K187 PolarHBondContact O-N 3.42Å
184	C	70.7	Confident	63.2	Low	41 Å²	41	91.1 Å²	91.1	28%	0.277	41%	0.41	S	S	.	.	H	α-helix	trans	-61	-43.2	176.6	-74.9	0	0	0	0	112.2	F180 S181 H186 K187 R188	F180-C184 WeakPolarHBondContact CE1-SG 3.23Å; F180-C184 VanDerWaalsContact CZ-SG 3.53Å; F180-C184 PolarHBondContact O-N 2.88Å; S181-C184 PolarHBondContact O-N 3.17Å; C184-H186 VanDerWaalsContact C-N 3.31Å; C184-K187 PolarHBondContact O-N 2.85Å; C184-R188 WeakPolarHBondContact O-CG 3.48Å; C184-R188 PolarHBondContact O-N 3.15Å
185	R	68.9	Low	62.5	Low	157 Å²	157	92.8 Å²	92.8	59%	0.592	42%	0.419	S	S	*	.	H	α-helix	trans	-62	-41.8	174.1	178.7	170.1	59	166.7	-2.3	111	S181 N182 L183 R188	S181-R185 WeakPolarHBondContact O-CB 3.5Å; S181-R185 PolarHBondContact O-N 2.83Å; N182-R185 PolarHBondContact O-N 2.87Å; N182-R185 PolarHBondContact OD1-NH2 2.93Å; L183-R185 PolarHBondContact O-N 3.35Å; R185-R188 WeakPolarHBondContact O-CB 3.36Å; R185-R188 PolarHBondContact O-N 2.64Å
186	H	75.3	Confident	62.1	Low	12 Å²	12	93 Å²	93	6%	0.056	42%	0.42	C	S	.	.	H	α-helix	trans	-64.8	-40.9	174.7	169.3	68.1	0	0	0	112.8	C170 C173 Y177 N182 L183 C184 R188 L189 H190	C170-H186 WeakPolarHBondContact CB-NE2 3.38Å; C170-H186 VanDerWaalsContact SG-CD2 3.55Å; C170-H186 PolarHBondContact SG-NE2 3.35Å; C170-H186 VanDerWaalsContact SG-NE2 3.39Å; C173-H186 PolarHBondContact SG-CE1 3.29Å; C173-H186 PolarHBondContact SG-NE2 2.94Å; Y177-H186 HydrophobicContact CE1-CB 4.08Å; Y177-H186 HydrophobicContact CE2-CB 3.73Å; Y177-H186 AromaticContact CE2-CD2 3.45Å; Y177-H186 VanDerWaalsContact CE2-CD2 3.45Å; Y177-H186 WeakPolarHBondContact CE2-CD2 3.2Å; Y177-H186 AromaticContact CE2-CG 3.53Å; Y177-H186 VanDerWaalsContact CZ-CB 3.47Å; Y177-H186 AromaticContact CZ-CD2 3.79Å; Y177-H186 AromaticContact CZ-CG 3.37Å; Y177-H186 AromaticContact CZ-ND1 3.78Å; Y177-H186 WeakPolarHBondContact OH-CB 3.4Å; Y177-H186 PolarHBondContact OH-CE1 3.28Å; Y177-H186 PolarHBondContact OH-ND1 3.2Å; N182-H186 VanDerWaalsContact O-CB 3.23Å; N182-H186 WeakPolarHBondContact O-CB 3.18Å; N182-H186 PolarHBondContact O-N 3.5Å; L183-H186 CarbonylContact O-C 3.56Å; L183-H186 WeakPolarHBondContact O-CB 3.48Å; L183-H186 PolarHBondContact O-N 2.93Å; C184-H186 VanDerWaalsContact C-N 3.31Å; H186-R188 PolarHBondContact O-N 3.37Å; H186-L189 VanDerWaalsContact O-CA 3.32Å; H186-L189 WeakPolarHBondContact O-CA 3.34Å; H186-L189 VanDerWaalsContact O-CB 3.27Å; H186-L189 WeakPolarHBondContact O-CB 3.43Å; H186-L189 PolarHBondContact O-N 2.93Å; H186-H190 AromaticContact CD2-NE2 3.64Å; H186-H190 AromaticContact CE1-CE1 3.8Å; H186-H190 AromaticContact CE1-NE2 3.77Å; H186-H190 AromaticContact NE2-CE1 3.44Å; H186-H190 PolarHBondContact NE2-CE1 3.37Å; H186-H190 AromaticContact NE2-NE2 3.09Å; H186-H190 PolarHBondContact NE2-NE2 3.17Å; H186-H190 PolarHBondContact O-N 2.79Å
187	K	68.5	Low	61.6	Low	95 Å²	95	92.9 Å²	92.9	41%	0.413	42%	0.415	S	S	.	.	H	α-helix	trans	-59.2	-31.7	176.4	-76.9	-173.2	176.7	-169.9	0	112	L183 C184 L189 H190	L183-K187 HydrophobicContact CD1-CG 4.19Å; L183-K187 HydrophobicContact CG-CD 4.48Å; L183-K187 HydrophobicContact CG-CG 4.45Å; L183-K187 WeakPolarHBondContact O-CG 3.31Å; L183-K187 PolarHBondContact O-N 3.42Å; C184-K187 PolarHBondContact O-N 2.85Å; K187-L189 VanDerWaalsContact C-N 3.26Å; K187-L189 PolarHBondContact O-N 2.95Å; K187-H190 PolarHBondContact O-N 3.32Å
188	R	70.1	Confident	61.1	Low	185 Å²	185	94.9 Å²	94.9	70%	0.698	43%	0.429	S	S	*	.	H	α-helix	trans	-68.2	-24.2	172.2	-62.1	171.7	-167.9	-177.7	2.6	112.8	C184 R185 H186 K191	C184-R188 WeakPolarHBondContact O-CG 3.48Å; C184-R188 PolarHBondContact O-N 3.15Å; R185-R188 WeakPolarHBondContact O-CB 3.36Å; R185-R188 PolarHBondContact O-N 2.64Å; H186-R188 PolarHBondContact O-N 3.37Å; R188-K191 WeakPolarHBondContact O-CB 3.44Å
189	L	56.3	Low	61.2	Low	91 Å²	91	93.7 Å²	93.7	48%	0.476	42%	0.422	S	S	.	.	H	α-helix	trans	-83.8	-11.2	176.5	-59.4	175	0	0	0	113.5	H186 K187 K191 R192 C193	H186-L189 VanDerWaalsContact O-CA 3.32Å; H186-L189 WeakPolarHBondContact O-CA 3.34Å; H186-L189 VanDerWaalsContact O-CB 3.27Å; H186-L189 WeakPolarHBondContact O-CB 3.43Å; H186-L189 PolarHBondContact O-N 2.93Å; K187-L189 VanDerWaalsContact C-N 3.26Å; K187-L189 PolarHBondContact O-N 2.95Å; L189-K191 PolarHBondContact O-N 2.99Å; L189-R192 CarbonylContact O-C 3.56Å; L189-R192 WeakPolarHBondContact O-CA 3.46Å; L189-R192 PolarHBondContact O-N 3.32Å; L189-C193 PolarHBondContact O-N 2.84Å; L189-C193 VanDerWaalsContact O-N 3.16Å
190	H	59.7	Low	60.8	Low	30 Å²	30	99 Å²	99	14%	0.139	45%	0.451	C	S	.	.	G	3₁₀ helix	trans	-61.4	-20.1	165.6	-72.8	-56.8	0	0	0	112.8	C170 C173 H186 K187 R192	C170-H190 PolarHBondContact SG-NE2 3.39Å; C173-H190 VanDerWaalsContact SG-CE1 3.57Å; H186-H190 AromaticContact CD2-NE2 3.64Å; H186-H190 AromaticContact CE1-CE1 3.8Å; H186-H190 AromaticContact CE1-NE2 3.77Å; H186-H190 AromaticContact NE2-CE1 3.44Å; H186-H190 PolarHBondContact NE2-CE1 3.37Å; H186-H190 AromaticContact NE2-NE2 3.09Å; H186-H190 PolarHBondContact NE2-NE2 3.17Å; H186-H190 PolarHBondContact O-N 2.79Å; K187-H190 PolarHBondContact O-N 3.32Å; H190-R192 PolarHBondContact O-N 3.4Å; H190-R192 VanDerWaalsContact O-N 3.11Å
191	K	46.9	Very low	60.1	Low	142 Å²	142	97.2 Å²	97.2	62%	0.617	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-65.8	-3.3	167.4	-58.3	-172.1	174.3	-168	0	113.7	R188 L189	R188-K191 WeakPolarHBondContact O-CB 3.44Å; L189-K191 PolarHBondContact O-N 2.99Å
192	R	42.3	Very low	59.8	Low	214 Å²	214	96.1 Å²	96.1	81%	0.808	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-144.7	12	-176.8	-69.5	-175.4	175.3	157.1	-2.7	114.5	L189 H190	L189-R192 CarbonylContact O-C 3.56Å; L189-R192 WeakPolarHBondContact O-CA 3.46Å; L189-R192 PolarHBondContact O-N 3.32Å; H190-R192 PolarHBondContact O-N 3.4Å; H190-R192 VanDerWaalsContact O-N 3.11Å
193	C	37.2	Very low	59.4	Low	57 Å²	57	97.1 Å²	97.1	39%	0.385	46%	0.464	S	S	.	.			trans	-84.6	136.1	-173.6	-156	0	0	0	0	110.8	L189 Q195	L189-C193 PolarHBondContact O-N 2.84Å; L189-C193 VanDerWaalsContact O-N 3.16Å; C193-Q195 PolarHBondContact O-N 3.12Å
194	R	46.2	Very low	58.9	Low	253 Å²	253	102.3 Å²	102.3	96%	0.955	49%	0.487	S	S	*	.	S	Bend	trans	-61.2	6.9	-166.8	-78.4	179.4	169.9	138.7	-4.3	118
195	Q	52.1	Low	58.9	Low	168 Å²	168	106.1 Å²	106.1	79%	0.785	50%	0.501	S	S	*	.	S	Bend	trans	-101.6	110.1	167.2	-77.6	175.7	-3.1	0	0	106.8	C193 P197	C193-Q195 PolarHBondContact O-N 3.12Å; Q195-P197 VanDerWaalsContact O-CD 3.27Å; Q195-P197 WeakPolarHBondContact O-CD 3.47Å
196	K	57.6	Low	58.8	Low	122 Å²	122	100.2 Å²	100.2	53%	0.53	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-70.2	119.9	179.6	-69.3	178.7	-165.7	165	0	108.1	D198 E205 F206	K196-D198 PolarHBondContact O-N 3.04Å; K196-E205 HydrophobicContact CB-CB 3.91Å; K196-E205 HydrophobicContact CB-CG 4.49Å; K196-E205 HydrophobicContact CD-CB 3.74Å; K196-E205 HydrophobicContact CD-CG 4.44Å; K196-E205 WeakPolarHBondContact CD-OE2 3.42Å; K196-E205 IonicContact NZ-OE2 3.13Å; K196-E205 PolarHBondContact NZ-OE2 2.92Å; K196-F206 WeakPolarHBondContact CA-O 3.36Å; K196-F206 VanDerWaalsContact CB-O 3.26Å; K196-F206 WeakPolarHBondContact CB-O 3.23Å
197	P	55.6	Low	58.3	Low	30 Å²	30	103.4 Å²	103.4	20%	0.195	51%	0.509	C	S	.	.	P	Polyproline II helix	trans	-58.4	129.5	172.6	18.3	-30.8	0	0	0	110.6	Q195 F206 N208 T209 L212	Q195-P197 VanDerWaalsContact O-CD 3.27Å; Q195-P197 WeakPolarHBondContact O-CD 3.47Å; P197-F206 WeakPolarHBondContact CD-O 3.22Å; P197-F206 HydrophobicContact CG-CB 4.33Å; P197-F206 WeakPolarHBondContact O-CB 3.43Å; P197-F206 WeakPolarHBondContact O-CD2 3.44Å; P197-F206 PolarHBondContact O-N 3.46Å; P197-N208 VanDerWaalsContact CG-C 3.46Å; P197-T209 HydrophobicContact CG-CG2 4.49Å; P197-L212 HydrophobicContact CB-CB 4.24Å; P197-L212 HydrophobicContact CB-CD2 3.79Å; P197-L212 HydrophobicContact CG-CB 4.45Å
198	D	56	Low	57.6	Low	91 Å²	91	101 Å²	101	49%	0.487	50%	0.5	S	S	.	.	B	Isolated β-bridge	trans	-103.4	150	179.4	59.3	-28.6	0	0	0	111.8	K196 H204	K196-D198 PolarHBondContact O-N 3.04Å; D198-H204 CarbonylContact C-O 3.59Å; D198-H204 VanDerWaalsContact CA-O 3.27Å; D198-H204 WeakPolarHBondContact CA-O 3.18Å
199	C	66	Low	56.8	Low	1 Å²	1	95.6 Å²	95.6	1%	0.007	49%	0.488	C	S	.	.			trans	-82.9	113.4	175.6	152.9	0	0	0	0	110.2	S201 C202 G203 H204 F206 L212 H215	C199-S201 PolarHBondContact O-N 2.87Å; C199-C202 HydrophobicContact CB-CB 4.42Å; C199-C202 WeakPolarHBondContact CB-SG 3.38Å; C199-C202 PolarHBondContact O-N 3.34Å; C199-C202 VanDerWaalsContact O-N 3.14Å; C199-C202 WeakPolarHBondContact SG-CB 3.47Å; C199-C202 PolarHBondContact SG-N 2.93Å; C199-C202 CovalentContact SG-SG 2.07Å; C199-C202 PolarHBondContact SG-SG 3.31Å; C199-G203 WeakPolarHBondContact O-CA 3.41Å; C199-G203 PolarHBondContact O-N 3.31Å; C199-H204 PolarHBondContact N-O 3.36Å; C199-F206 HydrophobicContact CB-CE2 3.78Å; C199-L212 HydrophobicContact CB-CD1 3.75Å; C199-H215 PolarHBondContact SG-NE2 2.9Å
200	L	58.4	Low	56.9	Low	162 Å²	162	98.9 Å²	98.9	85%	0.848	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-20.2	178.3	-75.4	116.2	0	0	0	114.4
201	S	54.8	Low	57.2	Low	82 Å²	82	99.3 Å²	99.3	57%	0.573	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-12.9	-179.4	-57.7	0	0	0	0	114.1	C199 C221	C199-S201 PolarHBondContact O-N 2.87Å; S201-C221 VanDerWaalsContact CB-O 3.22Å; S201-C221 WeakPolarHBondContact CB-O 3.47Å; S201-C221 PolarHBondContact OG-O 3.02Å
202	C	65.9	Low	58	Low	43 Å²	43	93.7 Å²	93.7	29%	0.291	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-150.9	-3.2	-168.5	69.9	0	0	0	0	115	C199 H204 H215 C221	C199-C202 HydrophobicContact CB-CB 4.42Å; C199-C202 WeakPolarHBondContact CB-SG 3.38Å; C199-C202 PolarHBondContact O-N 3.34Å; C199-C202 VanDerWaalsContact O-N 3.14Å; C199-C202 WeakPolarHBondContact SG-CB 3.47Å; C199-C202 PolarHBondContact SG-N 2.93Å; C199-C202 CovalentContact SG-SG 2.07Å; C199-C202 PolarHBondContact SG-SG 3.31Å; C202-H204 PolarHBondContact O-N 2.91Å; C202-H215 PolarHBondContact SG-CE1 2.88Å; C202-H215 PolarHBondContact SG-NE2 3.49Å; C202-C221 HydrophobicContact CB-CB 4.11Å; C202-C221 WeakPolarHBondContact CB-SG 3.33Å
203	G	65.7	Low	58.5	Low	54 Å²	54	88.1 Å²	88.1	56%	0.557	46%	0.464	S	S	*	.			trans	69.7	-3.1	177	0	0	0	0	0	116.2	C199 E205	C199-G203 WeakPolarHBondContact O-CA 3.41Å; C199-G203 PolarHBondContact O-N 3.31Å; G203-E205 PolarHBondContact O-N 2.82Å
204	H	63.4	Low	59.7	Low	118 Å²	118	90.8 Å²	90.8	55%	0.546	47%	0.469	S	S	.	.			trans	-68	130.8	-177.4	-79.7	-67.2	0	0	0	112.3	D198 C199 C202 F206	D198-H204 CarbonylContact C-O 3.59Å; D198-H204 VanDerWaalsContact CA-O 3.27Å; D198-H204 WeakPolarHBondContact CA-O 3.18Å; C199-H204 PolarHBondContact N-O 3.36Å; C202-H204 PolarHBondContact O-N 2.91Å; H204-F206 HydrophobicContact CB-CE2 3.75Å; H204-F206 HydrophobicContact CB-CZ 3.67Å; H204-F206 WeakPolarHBondContact O-CD2 3.37Å; H204-F206 WeakPolarHBondContact O-CE2 3.37Å
205	E	70.6	Confident	60.5	Low	122 Å²	122	79.8 Å²	79.8	57%	0.57	43%	0.428	S	S	*	.	B	Isolated β-bridge	trans	-82.4	135.2	174.6	-61.1	-174.7	155.7	0	0	111.8	K196 G203	K196-E205 HydrophobicContact CB-CB 3.91Å; K196-E205 HydrophobicContact CB-CG 4.49Å; K196-E205 HydrophobicContact CD-CB 3.74Å; K196-E205 HydrophobicContact CD-CG 4.44Å; K196-E205 WeakPolarHBondContact CD-OE2 3.42Å; K196-E205 IonicContact NZ-OE2 3.13Å; K196-E205 PolarHBondContact NZ-OE2 2.92Å; G203-E205 PolarHBondContact O-N 2.82Å
206	F	66.5	Low	60.6	Low	32 Å²	32	74.9 Å²	74.9	14%	0.14	41%	0.405	C	S	.	.			trans	-117.4	147.2	-179	-65.9	-79.6	0	0	0	112.6	K196 P197 C199 H204 N208 S211 L212 H215	K196-F206 WeakPolarHBondContact CA-O 3.36Å; K196-F206 VanDerWaalsContact CB-O 3.26Å; K196-F206 WeakPolarHBondContact CB-O 3.23Å; P197-F206 WeakPolarHBondContact CD-O 3.22Å; P197-F206 HydrophobicContact CG-CB 4.33Å; P197-F206 WeakPolarHBondContact O-CB 3.43Å; P197-F206 WeakPolarHBondContact O-CD2 3.44Å; P197-F206 PolarHBondContact O-N 3.46Å; C199-F206 HydrophobicContact CB-CE2 3.78Å; H204-F206 HydrophobicContact CB-CE2 3.75Å; H204-F206 HydrophobicContact CB-CZ 3.67Å; H204-F206 WeakPolarHBondContact O-CD2 3.37Å; H204-F206 WeakPolarHBondContact O-CE2 3.37Å; F206-N208 PolarHBondContact O-N 3.29Å; F206-S211 WeakPolarHBondContact CD1-O 3.43Å; F206-L212 HydrophobicContact CB-CB 4.05Å; F206-L212 HydrophobicContact CD2-CB 3.8Å; F206-L212 HydrophobicContact CD2-CD1 3.59Å; F206-L212 HydrophobicContact CD2-CG 4.31Å; F206-L212 HydrophobicContact CE2-CD1 3.8Å; F206-L212 HydrophobicContact CG-CB 4Å; F206-H215 HydrophobicContact CD1-CB 4.17Å; F206-H215 HydrophobicContact CE1-CB 3.34Å; F206-H215 AromaticContact CE1-CG 3.66Å; F206-H215 HydrophobicContact CE2-CB 3.89Å; F206-H215 AromaticContact CE2-CD2 3.67Å; F206-H215 AromaticContact CE2-CG 3.65Å; F206-H215 HydrophobicContact CZ-CB 3.21Å; F206-H215 AromaticContact CZ-CD2 3.49Å; F206-H215 VanDerWaalsContact CZ-CD2 3.49Å; F206-H215 WeakPolarHBondContact CZ-CD2 3.09Å; F206-H215 AromaticContact CZ-CE1 3.97Å; F206-H215 AromaticContact CZ-CG 3Å; F206-H215 AromaticContact CZ-ND1 3.35Å; F206-H215 WeakPolarHBondContact CZ-ND1 3.25Å
207	A	64.6	Low	60	Low	80 Å²	80	74.4 Å²	74.4	66%	0.661	41%	0.412	S	S	*	.	S	Bend	trans	-66.7	-20.6	-178.7	0	0	0	0	0	114.2
208	N	54.6	Low	59.8	Low	44 Å²	44	78.8 Å²	78.8	24%	0.235	43%	0.433	C	S	.	.	S	Bend	trans	-163.6	168.4	179.6	59.3	62.7	0	0	0	110.6	P197 F206 Y210 S211 L212	P197-N208 VanDerWaalsContact CG-C 3.46Å; F206-N208 PolarHBondContact O-N 3.29Å; N208-Y210 PolarHBondContact O-N 3.08Å; N208-Y210 WeakPolarHBondContact OD1-CA 3.42Å; N208-Y210 VanDerWaalsContact OD1-CB 3.28Å; N208-Y210 WeakPolarHBondContact OD1-CB 3.46Å; N208-Y210 PolarHBondContact OD1-N 3Å; N208-S211 PolarHBondContact ND2-OG 2.92Å; N208-S211 PolarHBondContact O-N 3.5Å; N208-S211 VanDerWaalsContact O-N 3.16Å; N208-S211 PolarHBondContact OD1-N 2.87Å; N208-S211 PolarHBondContact OD1-OG 3.39Å; N208-L212 PolarHBondContact O-N 3.48Å
209	T	52.7	Low	59.5	Low	71 Å²	71	77 Å²	77	44%	0.436	43%	0.426	S	S	.	.	H	α-helix	trans	-62.9	-25.8	-179.5	54.3	0	0	0	0	113.8	P197 L213	P197-T209 HydrophobicContact CG-CG2 4.49Å; T209-L213 WeakPolarHBondContact O-CB 3.42Å; T209-L213 WeakPolarHBondContact O-CD1 3.3Å; T209-L213 WeakPolarHBondContact O-CG 3.32Å; T209-L213 PolarHBondContact O-N 3.05Å
210	Y	57.8	Low	58.8	Low	161 Å²	161	83.2 Å²	83.2	63%	0.631	47%	0.469	S	S	*	.	H	α-helix	trans	-72.9	-37.7	175.9	172.8	-94.8	0	0	0	111.9	N208 L213 K214	N208-Y210 PolarHBondContact O-N 3.08Å; N208-Y210 WeakPolarHBondContact OD1-CA 3.42Å; N208-Y210 VanDerWaalsContact OD1-CB 3.28Å; N208-Y210 WeakPolarHBondContact OD1-CB 3.46Å; N208-Y210 PolarHBondContact OD1-N 3Å; Y210-L213 PolarHBondContact O-N 2.99Å; Y210-K214 WeakPolarHBondContact O-CB 3.22Å; Y210-K214 PolarHBondContact O-N 3.21Å
211	S	66	Low	58.3	Low	38 Å²	38	77.1 Å²	77.1	27%	0.266	44%	0.44	S	S	.	.	H	α-helix	trans	-67.4	-38.6	175	-64.1	0	0	0	0	111.9	F206 N208 K214 H215	F206-S211 WeakPolarHBondContact CD1-O 3.43Å; N208-S211 PolarHBondContact ND2-OG 2.92Å; N208-S211 PolarHBondContact O-N 3.5Å; N208-S211 VanDerWaalsContact O-N 3.16Å; N208-S211 PolarHBondContact OD1-N 2.87Å; N208-S211 PolarHBondContact OD1-OG 3.39Å; S211-K214 PolarHBondContact O-N 3.38Å; S211-H215 WeakPolarHBondContact O-CB 3.22Å; S211-H215 PolarHBondContact O-N 2.89Å
212	L	64.3	Low	57.4	Low	24 Å²	24	74.4 Å²	74.4	13%	0.126	42%	0.424	C	S	.	.	H	α-helix	trans	-64.1	-49.2	171.2	172.6	63.2	0	0	0	111.5	P197 C199 F206 N208 K214 H215 Q216	P197-L212 HydrophobicContact CB-CB 4.24Å; P197-L212 HydrophobicContact CB-CD2 3.79Å; P197-L212 HydrophobicContact CG-CB 4.45Å; C199-L212 HydrophobicContact CB-CD1 3.75Å; F206-L212 HydrophobicContact CB-CB 4.05Å; F206-L212 HydrophobicContact CD2-CB 3.8Å; F206-L212 HydrophobicContact CD2-CD1 3.59Å; F206-L212 HydrophobicContact CD2-CG 4.31Å; F206-L212 HydrophobicContact CE2-CD1 3.8Å; F206-L212 HydrophobicContact CG-CB 4Å; N208-L212 PolarHBondContact O-N 3.48Å; L212-K214 VanDerWaalsContact C-N 3.3Å; L212-K214 PolarHBondContact O-N 2.85Å; L212-H215 WeakPolarHBondContact O-CB 3.39Å; L212-H215 PolarHBondContact O-N 3.42Å; L212-H215 VanDerWaalsContact O-N 3.13Å; L212-Q216 HydrophobicContact CD1-CG 4.02Å; L212-Q216 HydrophobicContact CG-CG 4.42Å; L212-Q216 WeakPolarHBondContact O-CG 3.36Å; L212-Q216 PolarHBondContact O-N 3.4Å
213	L	53.2	Low	55.9	Low	98 Å²	98	80.4 Å²	80.4	51%	0.513	45%	0.454	S	S	.	.	H	α-helix	trans	-59.1	-42.2	176.4	-82.9	161.1	0	0	0	111.4	T209 Y210 H215 Q216 V217	T209-L213 WeakPolarHBondContact O-CB 3.42Å; T209-L213 WeakPolarHBondContact O-CD1 3.3Å; T209-L213 WeakPolarHBondContact O-CG 3.32Å; T209-L213 PolarHBondContact O-N 3.05Å; Y210-L213 PolarHBondContact O-N 2.99Å; L213-H215 VanDerWaalsContact C-N 3.33Å; L213-H215 PolarHBondContact O-N 2.85Å; L213-Q216 PolarHBondContact O-N 3.42Å; L213-V217 VanDerWaalsContact O-CB 3.25Å; L213-V217 WeakPolarHBondContact O-CB 3.38Å; L213-V217 WeakPolarHBondContact O-CG2 3.29Å; L213-V217 PolarHBondContact O-N 2.84Å
214	K	61.9	Low	54.1	Low	112 Å²	112	85.2 Å²	85.2	49%	0.487	47%	0.466	S	S	.	.	H	α-helix	trans	-62.2	-41.7	175.5	-176.6	176.9	179.8	-176.1	0	111.2	Y210 S211 L212 V217 L218	Y210-K214 WeakPolarHBondContact O-CB 3.22Å; Y210-K214 PolarHBondContact O-N 3.21Å; S211-K214 PolarHBondContact O-N 3.38Å; L212-K214 VanDerWaalsContact C-N 3.3Å; L212-K214 PolarHBondContact O-N 2.85Å; K214-V217 PolarHBondContact O-N 3.47Å; K214-L218 HydrophobicContact CD-CD1 4.1Å; K214-L218 VanDerWaalsContact CE-CD1 3.41Å; K214-L218 HydrophobicContact CG-CD1 3.47Å; K214-L218 VanDerWaalsContact CG-CD1 3.47Å; K214-L218 HydrophobicContact CG-CG 4.17Å; K214-L218 WeakPolarHBondContact O-CB 3.31Å; K214-L218 VanDerWaalsContact O-CG 3.3Å; K214-L218 WeakPolarHBondContact O-CG 3.37Å; K214-L218 PolarHBondContact O-N 3.28Å
215	H	63	Low	52.4	Low	23 Å²	23	83.6 Å²	83.6	11%	0.106	47%	0.469	C	S	.	.	H	α-helix	trans	-65.2	-48.1	175	166.3	85.6	0	0	0	112.2	C199 C202 F206 S211 L212 L213 V217 L218 T219	C199-H215 PolarHBondContact SG-NE2 2.9Å; C202-H215 PolarHBondContact SG-CE1 2.88Å; C202-H215 PolarHBondContact SG-NE2 3.49Å; F206-H215 HydrophobicContact CD1-CB 4.17Å; F206-H215 HydrophobicContact CE1-CB 3.34Å; F206-H215 AromaticContact CE1-CG 3.66Å; F206-H215 HydrophobicContact CE2-CB 3.89Å; F206-H215 AromaticContact CE2-CD2 3.67Å; F206-H215 AromaticContact CE2-CG 3.65Å; F206-H215 HydrophobicContact CZ-CB 3.21Å; F206-H215 AromaticContact CZ-CD2 3.49Å; F206-H215 VanDerWaalsContact CZ-CD2 3.49Å; F206-H215 WeakPolarHBondContact CZ-CD2 3.09Å; F206-H215 AromaticContact CZ-CE1 3.97Å; F206-H215 AromaticContact CZ-CG 3Å; F206-H215 AromaticContact CZ-ND1 3.35Å; F206-H215 WeakPolarHBondContact CZ-ND1 3.25Å; S211-H215 WeakPolarHBondContact O-CB 3.22Å; S211-H215 PolarHBondContact O-N 2.89Å; L212-H215 WeakPolarHBondContact O-CB 3.39Å; L212-H215 PolarHBondContact O-N 3.42Å; L212-H215 VanDerWaalsContact O-N 3.13Å; L213-H215 VanDerWaalsContact C-N 3.33Å; L213-H215 PolarHBondContact O-N 2.85Å; H215-V217 PolarHBondContact O-N 3.09Å; H215-L218 PolarHBondContact O-N 3.36Å; H215-T219 PolarHBondContact CE1-OG1 2.79Å; H215-T219 PolarHBondContact ND1-OG1 3.44Å; H215-T219 PolarHBondContact NE2-OG1 3Å; H215-T219 WeakPolarHBondContact O-CB 3.34Å; H215-T219 PolarHBondContact O-N 3.01Å; H215-T219 PolarHBondContact O-OG1 3.19Å
216	Q	53.8	Low	50.3	Low	65 Å²	65	81.2 Å²	81.2	30%	0.304	46%	0.46	S	S	.	.	H	α-helix	trans	-61.7	-26	175.8	-71.1	175.2	-26.6	0	0	112.8	L212 L213 G222	L212-Q216 HydrophobicContact CD1-CG 4.02Å; L212-Q216 HydrophobicContact CG-CG 4.42Å; L212-Q216 WeakPolarHBondContact O-CG 3.36Å; L212-Q216 PolarHBondContact O-N 3.4Å; L213-Q216 PolarHBondContact O-N 3.42Å; Q216-G222 VanDerWaalsContact O-CA 3.31Å; Q216-G222 WeakPolarHBondContact O-CA 3.31Å
217	V	45.9	Very low	48.5	Very low	112 Å²	112	86.5 Å²	86.5	68%	0.679	48%	0.48	S	S	*	.	H	α-helix	trans	-90.5	-32.6	179.8	171.1	0	0	0	0	112.9	L213 K214 H215	L213-V217 VanDerWaalsContact O-CB 3.25Å; L213-V217 WeakPolarHBondContact O-CB 3.38Å; L213-V217 WeakPolarHBondContact O-CG2 3.29Å; L213-V217 PolarHBondContact O-N 2.84Å; K214-V217 PolarHBondContact O-N 3.47Å; H215-V217 PolarHBondContact O-N 3.09Å
218	L	50.1	Low	46.6	Very low	122 Å²	122	89.6 Å²	89.6	64%	0.639	49%	0.485	S	S	*	.	H	α-helix	trans	-105.1	-14.8	-173.2	-62.9	-179.7	0	0	0	114.5	K214 H215	K214-L218 HydrophobicContact CD-CD1 4.1Å; K214-L218 VanDerWaalsContact CE-CD1 3.41Å; K214-L218 HydrophobicContact CG-CD1 3.47Å; K214-L218 VanDerWaalsContact CG-CD1 3.47Å; K214-L218 HydrophobicContact CG-CG 4.17Å; K214-L218 WeakPolarHBondContact O-CB 3.31Å; K214-L218 VanDerWaalsContact O-CG 3.3Å; K214-L218 WeakPolarHBondContact O-CG 3.37Å; K214-L218 PolarHBondContact O-N 3.28Å; H215-L218 PolarHBondContact O-N 3.36Å
219	T	51.2	Low	45.4	Very low	54 Å²	54	93.5 Å²	93.5	33%	0.331	51%	0.506	S	S	.	.	S	Bend	trans	-109.5	150.6	175.5	68	0	0	0	0	109.6	H215 C221 G222	H215-T219 PolarHBondContact CE1-OG1 2.79Å; H215-T219 PolarHBondContact ND1-OG1 3.44Å; H215-T219 PolarHBondContact NE2-OG1 3Å; H215-T219 WeakPolarHBondContact O-CB 3.34Å; H215-T219 PolarHBondContact O-N 3.01Å; H215-T219 PolarHBondContact O-OG1 3.19Å; T219-C221 PolarHBondContact O-N 3.45Å; T219-G222 PolarHBondContact O-N 3.42Å
220	S	50.2	Low	44.1	Very low	131 Å²	131	96.2 Å²	96.2	92%	0.916	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	2.9	177.1	48.6	0	0	0	0	114.8	G222	S220-G222 VanDerWaalsContact C-N 3.26Å; S220-G222 PolarHBondContact O-N 3.26Å
221	C	47.5	Very low	42.8	Very low	34 Å²	34	95.4 Å²	95.4	23%	0.23	53%	0.53	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	13.6	176.3	-64.2	0	0	0	0	113.5	S201 C202 T219	S201-C221 VanDerWaalsContact CB-O 3.22Å; S201-C221 WeakPolarHBondContact CB-O 3.47Å; S201-C221 PolarHBondContact OG-O 3.02Å; C202-C221 HydrophobicContact CB-CB 4.11Å; C202-C221 WeakPolarHBondContact CB-SG 3.33Å; T219-C221 PolarHBondContact O-N 3.45Å
222	G	36.9	Very low	40.8	Very low	24 Å²	24	100.9 Å²	100.9	25%	0.247	56%	0.556	C	S	.	*	S	Bend	trans	-125.7	112.2	178.1	0	0	0	0	0	113.4	Q216 T219 S220 N224	Q216-G222 VanDerWaalsContact O-CA 3.31Å; Q216-G222 WeakPolarHBondContact O-CA 3.31Å; T219-G222 PolarHBondContact O-N 3.42Å; S220-G222 VanDerWaalsContact C-N 3.26Å; S220-G222 PolarHBondContact O-N 3.26Å; G222-N224 VanDerWaalsContact C-N 3.25Å; G222-N224 PolarHBondContact O-N 3.21Å
223	N	33.6	Very low	39.3	Very low	170 Å²	170	109 Å²	109	91%	0.909	59%	0.59	S	S	*	*			trans	-66.5	87.5	162.5	-80.4	-35	0	0	0	110.1
224	N	27.8	Very low	37.9	Very low	154 Å²	154	109.7 Å²	109.7	82%	0.824	60%	0.599	S	S	*	*			trans	31	136.8	152.2	-80.1	-37.1	0	0	0	122.4	G222	G222-N224 VanDerWaalsContact C-N 3.25Å; G222-N224 PolarHBondContact O-N 3.21Å
225	S	28.7	Very low	36.2	Very low	85 Å²	85	110.2 Å²	110.2	59%	0.594	61%	0.611	S	S	*	*			trans	93.7	100.6	146.2	-161.1	0	0	0	0	116.8
226	L	26.7	Very low	34.3	Very low	72 Å²	72	116.4 Å²	116.4	38%	0.377	64%	0.641	S	S	.	*	S	Bend		164.3	87	120.6	-83.4	179	0	0	0	111.8	T305 H308	L226-T305 HydrophobicContact CD1-CG2 3.82Å; L226-T305 HydrophobicContact CG-CG2 4.41Å; L226-H308 HydrophobicContact CD1-CB 4.39Å
227	Y	27.4	Very low	32.9	Very low	143 Å²	143	118.8 Å²	118.8	56%	0.561	66%	0.655	S	S	*	*			trans	150.9	92	139.7	-104.2	-84.7	0	0	0	111.2	R312	Y227-R312 VanDerWaalsContact CE2-CD 3.41Å; Y227-R312 VanDerWaalsContact CZ-CD 3.49Å; Y227-R312 WeakPolarHBondContact OH-CD 3.4Å
228	N	24.5	Very low	31.9	Very low	144 Å²	144	120.3 Å²	120.3	77%	0.77	66%	0.659	S	S	*	*			trans	-96.9	129.3	147.1	-101	-14.7	0	0	0	107.5
229	N	29	Very low	30.7	Very low	126 Å²	126	120.5 Å²	120.5	67%	0.674	67%	0.666	S	S	*	*			trans	-175.2	98.8	133.6	-87.4	-10.8	0	0	0	108.7
230	N	26.6	Very low	29.4	Very low	128 Å²	128	123.1 Å²	123.1	68%	0.684	69%	0.686	S	S	*	*				56.8	103.2	128.5	-57.4	-12.8	0	0	0	118.1
231	T	29.4	Very low	28.4	Very low	145 Å²	145	122 Å²	122	89%	0.89	68%	0.678	S	S	*	*				-138.8	96.5	124.4	44.1	0	0	0	0	108.5
232	N	25.6	Very low	27.2	Very low	152 Å²	152	127 Å²	127	81%	0.813	70%	0.703	S	S	*	*			trans	-85.9	118.8	163.7	-76.6	-14.7	0	0	0	108.2
233	K	31.8	Very low	26.7	Very low	194 Å²	194	133.3 Å²	133.3	84%	0.843	73%	0.729	S	S	*	*			trans	-141.6	88.1	145.4	-93.1	-174.5	175.6	-177.9	0	104.5
234	T	23.7	Very low	26.1	Very low	113 Å²	113	131.3 Å²	131.3	69%	0.693	72%	0.718	S	S	*	*				75.7	143.7	98.9	51.4	0	0	0	0	112.9
235	T	26.7	Very low	26	Very low	123 Å²	123	134.7 Å²	134.7	76%	0.755	72%	0.721	S	S	*	*			trans	75.6	119.3	-176.9	77.8	0	0	0	0	114.2
236	E	23.5	Very low	25.7	Very low	154 Å²	154	136.2 Å²	136.2	72%	0.72	73%	0.727	S	S	*	*			cis	-177.9	148.9	-5.2	-124.9	165.7	-137.9	0	0	105.4
237	N	24.9	Very low	25.6	Very low	114 Å²	114	140.1 Å²	140.1	61%	0.61	74%	0.744	S	S	*	*			trans	82.1	105.4	147.4	-56.1	-22.1	0	0	0	120.4
238	N	23.7	Very low	25.4	Very low	144 Å²	144	141.1 Å²	141.1	77%	0.77	75%	0.751	S	S	*	*				76.8	122.8	122.5	-58.2	-14	0	0	0	115.3
239	V	25.4	Very low	25.3	Very low	127 Å²	127	141 Å²	141	77%	0.77	75%	0.75	S	S	*	*			cis	-162.4	136.3	37.4	169.1	0	0	0	0	109.3
240	S	23.3	Very low	25.1	Very low	109 Å²	109	141.2 Å²	141.2	76%	0.762	76%	0.755	S	S	*	*			trans	29	135.8	140.8	-41.3	0	0	0	0	120
241	S	28.6	Very low	24.9	Very low	107 Å²	107	144.9 Å²	144.9	75%	0.748	76%	0.761	S	S	*	*				-166.3	131.9	51.9	48.8	0	0	0	0	113.2
242	N	23.3	Very low	24.6	Very low	140 Å²	140	145.2 Å²	145.2	75%	0.749	76%	0.757	S	S	*	*			trans	20.1	135.6	138	-62.3	-20.2	0	0	0	117.9
243	I	26.6	Very low	24.5	Very low	156 Å²	156	144.4 Å²	144.4	80%	0.8	75%	0.752	S	S	*	*				-156.1	132.2	74.5	-80.3	149	0	0	0	111.2	Y245	I243-Y245 HydrophobicContact CG2-CE2 4.41Å
244	N	22	Very low	24	Very low	127 Å²	127	144.3 Å²	144.3	68%	0.679	75%	0.752	S	S	*	*			trans	-58.5	152.1	171.1	-67.5	-42.9	0	0	0	113
245	Y	24.9	Very low	23.9	Very low	226 Å²	226	146.2 Å²	146.2	89%	0.886	76%	0.758	S	S	*	*				-151.5	120.9	122.2	-88.3	-70.7	0	0	0	110	I243	I243-Y245 HydrophobicContact CG2-CE2 4.41Å
246	T	21.9	Very low	23.7	Very low	117 Å²	117	145 Å²	145	72%	0.718	75%	0.754	S	S	*	*			trans	-67	147.1	179.6	48.5	0	0	0	0	112.3
247	E	24.8	Very low	23.7	Very low	154 Å²	154	145.7 Å²	145.7	72%	0.72	76%	0.757	S	S	*	*				-163.1	116.2	129.6	-108.8	-174.9	156.7	0	0	114.5
248	K	24.2	Very low	23.6	Very low	164 Å²	164	148.2 Å²	148.2	71%	0.713	77%	0.771	S	S	*	*			trans	57.9	104.6	142.2	-71.1	164.5	-176.7	148.5	0	119.9
249	N	21.9	Very low	23.6	Very low	142 Å²	142	148.1 Å²	148.1	76%	0.759	77%	0.77	S	S	*	*				31.1	134.1	111.8	-61	-22	0	0	0	116.2
250	V	24.1	Very low	23.4	Very low	129 Å²	129	151.4 Å²	151.4	78%	0.782	77%	0.774	S	S	*	*				-151.4	126.7	70.9	167.6	0	0	0	0	111.1	L252	V250-L252 HydrophobicContact CG1-CG 4.43Å
251	Y	21.9	Very low	23.5	Very low	205 Å²	205	154.3 Å²	154.3	80%	0.804	77%	0.773	S	S	*	*			trans	-67.5	136.1	159	-85.6	-98.6	0	0	0	110.1
252	L	23.8	Very low	23.3	Very low	153 Å²	153	156 Å²	156	80%	0.801	78%	0.779	S	S	*	*			trans	-142.1	99.3	143	-81.2	-179.8	0	0	0	110.5	V250	V250-L252 HydrophobicContact CG1-CG 4.43Å
253	N	22.6	Very low	23.3	Very low	134 Å²	134	153.3 Å²	153.3	72%	0.717	77%	0.768	S	S	*	*			trans	51.7	124.1	135.1	-67.4	-21	0	0	0	121.8
254	K	22.5	Very low	23.2	Very low	192 Å²	192	154.4 Å²	154.4	84%	0.835	76%	0.763	S	S	*	*			trans	-37.3	129.8	143.4	-63.4	166	177.3	172.1	0	109.6
255	D	21.8	Very low	23.5	Very low	154 Å²	154	154.2 Å²	154.2	82%	0.824	76%	0.762	S	S	*	*			trans	-166.7	128	131	-85.6	-29.9	0	0	0	110.6
256	S	22.2	Very low	23.6	Very low	96 Å²	96	147.9 Å²	147.9	67%	0.671	75%	0.747	S	S	*	*			trans	37.9	120.5	130.3	-165.5	0	0	0	0	119.5
257	H	23	Very low	24.1	Very low	170 Å²	170	149.4 Å²	149.4	79%	0.787	74%	0.744	S	S	*	*			trans	49.4	98.2	149.6	-71.8	-70.7	0	0	0	118.2
258	N	22.9	Very low	24.4	Very low	167 Å²	167	147 Å²	147	89%	0.893	73%	0.732	S	S	*	*				-171.7	132.2	122.3	-101.8	-37.4	0	0	0	113.4
259	N	23.1	Very low	24.7	Very low	142 Å²	142	143.1 Å²	143.1	76%	0.759	72%	0.719	S	S	*	*			trans	-54.4	150.5	161.3	-93.6	-38.3	0	0	0	111.2
260	K	22.8	Very low	25.2	Very low	195 Å²	195	140.5 Å²	140.5	85%	0.848	70%	0.704	S	S	*	*			trans	101.8	126.8	166.2	-58.5	169.9	178.6	176.1	0	115.1
261	K	24.5	Very low	25.6	Very low	171 Å²	171	138.8 Å²	138.8	74%	0.743	69%	0.687	S	S	*	*			trans	86.5	76.3	164.8	-58.1	176.1	176.1	177.5	0	117.8
262	T	23.6	Very low	26.3	Very low	141 Å²	141	133 Å²	133	87%	0.865	67%	0.67	S	S	*	*			trans	-107.8	61.3	147.6	54.6	0	0	0	0	109.8
263	T	24.7	Very low	26.8	Very low	84 Å²	84	130.1 Å²	130.1	52%	0.515	65%	0.651	S	S	.	*			trans	-117.3	10.7	172.7	32.5	0	0	0	0	112.3
264	Y	24.2	Very low	27.5	Very low	180 Å²	180	128.6 Å²	128.6	71%	0.706	64%	0.639	S	S	*	*	S	Bend	trans	-123.3	9.1	-165.3	-96.1	-84.2	0	0	0	117.1
265	N	27.5	Very low	28.1	Very low	123 Å²	123	122.9 Å²	122.9	66%	0.658	62%	0.618	S	S	*	*	S	Bend	trans	-114.4	2.8	-178.8	-99.7	-16.6	0	0	0	115.8	L269	N265-L269 WeakPolarHBondContact O-CB 3.48Å; N265-L269 WeakPolarHBondContact O-CD1 3.45Å
266	T	27.6	Very low	28.8	Very low	93 Å²	93	119.6 Å²	119.6	57%	0.571	60%	0.598	S	S	*	*	H	α-helix	trans	-83.4	-46.5	172.7	41	0	0	0	0	111.5	H268 L269 I270	T266-H268 PolarHBondContact O-N 3.16Å; T266-L269 PolarHBondContact O-N 2.81Å; T266-I270 WeakPolarHBondContact O-CB 3.34Å; T266-I270 VanDerWaalsContact O-CD1 3.31Å; T266-I270 WeakPolarHBondContact O-CD1 3.39Å; T266-I270 WeakPolarHBondContact O-CG1 3.43Å; T266-I270 PolarHBondContact O-N 3.24Å
267	K	31.6	Very low	29.4	Very low	149 Å²	149	118.9 Å²	118.9	65%	0.648	59%	0.589	S	S	*	*	H	α-helix	trans	-63.2	-43.5	179.9	-157.3	178.6	-177.6	-174.5	0	113	I270 E271	K267-I270 PolarHBondContact O-N 2.9Å; K267-E271 WeakPolarHBondContact O-CG 3.29Å; K267-E271 PolarHBondContact O-N 3.39Å
268	H	32.1	Very low	30	Very low	104 Å²	104	114.8 Å²	114.8	48%	0.481	57%	0.573	S	S	.	*	H	α-helix	trans	-71.7	-30.1	178	-162.1	-54.4	0	0	0	112.8	T266 L272	T266-H268 PolarHBondContact O-N 3.16Å; H268-L272 WeakPolarHBondContact ND1-CD1 3.45Å; H268-L272 VanDerWaalsContact O-CB 3.32Å; H268-L272 WeakPolarHBondContact O-CB 3.45Å; H268-L272 WeakPolarHBondContact O-CD1 3.45Å; H268-L272 WeakPolarHBondContact O-CG 3.31Å; H268-L272 PolarHBondContact O-N 3.14Å
269	L	30.7	Very low	30.7	Very low	82 Å²	82	114.4 Å²	114.4	43%	0.429	56%	0.559	S	S	.	*	H	α-helix	trans	-72.1	-36.1	172	-114.6	80.9	0	0	0	111.9	N265 T266 K273	N265-L269 WeakPolarHBondContact O-CB 3.48Å; N265-L269 WeakPolarHBondContact O-CD1 3.45Å; T266-L269 PolarHBondContact O-N 2.81Å; L269-K273 VanDerWaalsContact O-CB 3.26Å; L269-K273 WeakPolarHBondContact O-CB 3.31Å; L269-K273 WeakPolarHBondContact O-CG 3.27Å; L269-K273 PolarHBondContact O-N 3.21Å
270	I	31.9	Very low	31.4	Very low	86 Å²	86	115 Å²	115	44%	0.441	56%	0.555	S	S	.	*	H	α-helix	trans	-68.2	-45	177.7	-69.5	163	0	0	0	109.7	T266 K267 K273 Q274	T266-I270 WeakPolarHBondContact O-CB 3.34Å; T266-I270 VanDerWaalsContact O-CD1 3.31Å; T266-I270 WeakPolarHBondContact O-CD1 3.39Å; T266-I270 WeakPolarHBondContact O-CG1 3.43Å; T266-I270 PolarHBondContact O-N 3.24Å; K267-I270 PolarHBondContact O-N 2.9Å; I270-K273 PolarHBondContact O-N 3.14Å; I270-Q274 WeakPolarHBondContact O-CB 3.28Å; I270-Q274 PolarHBondContact O-N 3.11Å; I270-Q274 PolarHBondContact O-OE1 2.07Å
271	E	33.8	Very low	31.9	Very low	93 Å²	93	111.7 Å²	111.7	44%	0.435	54%	0.542	S	S	.	.	H	α-helix	trans	-64.1	-42.8	175.4	-76.9	167.7	-176.9	0	0	112.5	K267 K273 N275	K267-E271 WeakPolarHBondContact O-CG 3.29Å; K267-E271 PolarHBondContact O-N 3.39Å; E271-K273 VanDerWaalsContact C-N 3.3Å; E271-K273 PolarHBondContact O-N 2.72Å; E271-N275 WeakPolarHBondContact O-CB 3.42Å; E271-N275 VanDerWaalsContact O-CG 3.22Å; E271-N275 PolarHBondContact O-N 3.02Å; E271-N275 PolarHBondContact O-ND2 3.49Å; E271-N275 VanDerWaalsContact O-ND2 3.09Å
272	L	35.3	Very low	32.3	Very low	84 Å²	84	109.8 Å²	109.8	44%	0.44	54%	0.54	S	S	.	.	H	α-helix	trans	-64.5	-34	175.8	-76.8	171.4	0	0	0	112.6	H268 E276	H268-L272 WeakPolarHBondContact ND1-CD1 3.45Å; H268-L272 VanDerWaalsContact O-CB 3.32Å; H268-L272 WeakPolarHBondContact O-CB 3.45Å; H268-L272 WeakPolarHBondContact O-CD1 3.45Å; H268-L272 WeakPolarHBondContact O-CG 3.31Å; H268-L272 PolarHBondContact O-N 3.14Å; L272-E276 PolarHBondContact O-N 3.43Å
273	K	34.1	Very low	32.8	Very low	93 Å²	93	109.5 Å²	109.5	40%	0.404	53%	0.533	S	S	.	.	H	α-helix	trans	-84.8	-30.9	179.9	-71.1	-73.3	173	-158.1	0	113.1	L269 I270 E271 N275 E276 V277	L269-K273 VanDerWaalsContact O-CB 3.26Å; L269-K273 WeakPolarHBondContact O-CB 3.31Å; L269-K273 WeakPolarHBondContact O-CG 3.27Å; L269-K273 PolarHBondContact O-N 3.21Å; I270-K273 PolarHBondContact O-N 3.14Å; E271-K273 VanDerWaalsContact C-N 3.3Å; E271-K273 PolarHBondContact O-N 2.72Å; K273-N275 VanDerWaalsContact C-N 3.3Å; K273-E276 VanDerWaalsContact CD-OE2 3.27Å; K273-E276 WeakPolarHBondContact CD-OE2 3.39Å; K273-E276 IonicContact NZ-OE1 2.81Å; K273-E276 PolarHBondContact NZ-OE1 2.98Å; K273-E276 IonicContact NZ-OE2 2.67Å; K273-E276 PolarHBondContact NZ-OE2 3.39Å; K273-E276 WeakPolarHBondContact O-CB 3.39Å; K273-E276 PolarHBondContact O-N 3.27Å; K273-V277 WeakPolarHBondContact O-CG2 3.27Å; K273-V277 PolarHBondContact O-N 3.16Å; K273-V277 VanDerWaalsContact O-N 3.07Å
274	Q	37.4	Very low	33	Very low	101 Å²	101	109.7 Å²	109.7	47%	0.472	54%	0.535	S	S	.	.	H	α-helix	trans	-62.7	-39.3	166.7	-88.3	164	-31.4	0	0	111	I270 E276 V277 N278	I270-Q274 WeakPolarHBondContact O-CB 3.28Å; I270-Q274 PolarHBondContact O-N 3.11Å; I270-Q274 PolarHBondContact O-OE1 2.07Å; Q274-E276 VanDerWaalsContact C-N 3.3Å; Q274-E276 PolarHBondContact O-N 3.48Å; Q274-V277 PolarHBondContact O-N 3.38Å; Q274-N278 WeakPolarHBondContact O-CB 3.45Å; Q274-N278 PolarHBondContact O-N 2.89Å; Q274-N278 PolarHBondContact O-ND2 3.07Å; Q274-N278 PolarHBondContact O-OD1 3.2Å
275	N	36.3	Very low	33.1	Very low	72 Å²	72	108.7 Å²	108.7	39%	0.385	54%	0.541	S	S	.	.	H	α-helix	trans	-65.9	-29.6	173.1	-73.1	-30.4	0	0	0	113.3	E271 K273 R279	E271-N275 WeakPolarHBondContact O-CB 3.42Å; E271-N275 VanDerWaalsContact O-CG 3.22Å; E271-N275 PolarHBondContact O-N 3.02Å; E271-N275 PolarHBondContact O-ND2 3.49Å; E271-N275 VanDerWaalsContact O-ND2 3.09Å; K273-N275 VanDerWaalsContact C-N 3.3Å; N275-R279 VanDerWaalsContact O-CB 3.32Å; N275-R279 WeakPolarHBondContact O-CB 3.45Å; N275-R279 WeakPolarHBondContact O-CG 3.33Å; N275-R279 PolarHBondContact O-N 2.73Å
276	E	36.3	Very low	33	Very low	86 Å²	86	110 Å²	110	40%	0.402	55%	0.548	S	S	.	.	H	α-helix	trans	-72.8	-32.1	171.5	-78	179	-163.5	0	0	113.1	L272 K273 Q274 K280	L272-E276 PolarHBondContact O-N 3.43Å; K273-E276 VanDerWaalsContact CD-OE2 3.27Å; K273-E276 WeakPolarHBondContact CD-OE2 3.39Å; K273-E276 IonicContact NZ-OE1 2.81Å; K273-E276 PolarHBondContact NZ-OE1 2.98Å; K273-E276 IonicContact NZ-OE2 2.67Å; K273-E276 PolarHBondContact NZ-OE2 3.39Å; K273-E276 WeakPolarHBondContact O-CB 3.39Å; K273-E276 PolarHBondContact O-N 3.27Å; Q274-E276 VanDerWaalsContact C-N 3.3Å; Q274-E276 PolarHBondContact O-N 3.48Å; E276-K280 WeakPolarHBondContact O-CG 3.4Å; E276-K280 PolarHBondContact O-N 2.82Å
277	V	35.1	Very low	32.9	Very low	80 Å²	80	110.8 Å²	110.8	49%	0.485	56%	0.558	S	S	.	*	H	α-helix	trans	-71.8	-42	173.9	173.5	0	0	0	0	110.3	K273 Q274 K280 H281	K273-V277 WeakPolarHBondContact O-CG2 3.27Å; K273-V277 PolarHBondContact O-N 3.16Å; K273-V277 VanDerWaalsContact O-N 3.07Å; Q274-V277 PolarHBondContact O-N 3.38Å; V277-K280 PolarHBondContact O-N 3.43Å; V277-H281 PolarHBondContact O-N 3.34Å
278	N	35.7	Very low	32.7	Very low	84 Å²	84	110.1 Å²	110.1	45%	0.449	56%	0.561	S	S	.	*	H	α-helix	trans	-66.8	-42.7	177.3	-63.6	-15.4	0	0	0	111.8	Q274 K280 H281 D282	Q274-N278 WeakPolarHBondContact O-CB 3.45Å; Q274-N278 PolarHBondContact O-N 2.89Å; Q274-N278 PolarHBondContact O-ND2 3.07Å; Q274-N278 PolarHBondContact O-OD1 3.2Å; N278-K280 PolarHBondContact O-N 3.17Å; N278-H281 WeakPolarHBondContact O-CB 3.45Å; N278-H281 PolarHBondContact O-N 2.87Å; N278-D282 PolarHBondContact O-N 3.24Å
279	R	37.2	Very low	32.4	Very low	160 Å²	160	112.8 Å²	112.8	60%	0.604	57%	0.571	S	S	*	*	H	α-helix	trans	-64.6	-20.7	175.7	-76.5	-177.9	-135.4	-175.8	1.5	114.6	N275 N283	N275-R279 VanDerWaalsContact O-CB 3.32Å; N275-R279 WeakPolarHBondContact O-CB 3.45Å; N275-R279 WeakPolarHBondContact O-CG 3.33Å; N275-R279 PolarHBondContact O-N 2.73Å; R279-N283 PolarHBondContact O-ND2 3.13Å
280	K	37.2	Very low	32.4	Very low	153 Å²	153	113.3 Å²	113.3	67%	0.665	57%	0.574	S	S	*	*	H	α-helix	trans	-85	-22.6	173.2	-74.5	178.9	179.1	-174.6	0	112.4	E276 V277 N278	E276-K280 WeakPolarHBondContact O-CG 3.4Å; E276-K280 PolarHBondContact O-N 2.82Å; V277-K280 PolarHBondContact O-N 3.43Å; N278-K280 PolarHBondContact O-N 3.17Å
281	H	33.6	Very low	32.4	Very low	127 Å²	127	114 Å²	114	59%	0.588	58%	0.579	S	S	*	*	H	α-helix	trans	-77	-31.9	174.1	-110.1	-64.4	0	0	0	112.7	V277 N278	V277-H281 PolarHBondContact O-N 3.34Å; N278-H281 WeakPolarHBondContact O-CB 3.45Å; N278-H281 PolarHBondContact O-N 2.87Å
282	D	32.2	Very low	32.3	Very low	131 Å²	131	113.7 Å²	113.7	70%	0.701	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	-8.6	-176.4	-63.4	-28.3	0	0	0	114.3	N278	N278-D282 PolarHBondContact O-N 3.24Å
283	N	33.8	Very low	32.2	Very low	134 Å²	134	114.6 Å²	114.6	72%	0.717	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.1	10.4	-173.7	-79.4	-50	0	0	0	115	R279	R279-N283 PolarHBondContact O-ND2 3.13Å
284	T	29.5	Very low	32.3	Very low	89 Å²	89	114.9 Å²	114.9	55%	0.546	59%	0.594	S	S	.	*			trans	-127	77.2	179.2	55.7	0	0	0	0	111.5
285	N	26.8	Very low	32.3	Very low	159 Å²	159	114.1 Å²	114.1	85%	0.85	59%	0.592	S	S	*	*			trans	-66.7	124.9	154.6	-78.2	-29.3	0	0	0	108
286	N	25	Very low	32.4	Very low	150 Å²	150	112.1 Å²	112.1	80%	0.802	58%	0.58	S	S	*	*	S	Bend	trans	74.7	118.6	173.8	-61.2	-27	0	0	0	118
287	S	26.1	Very low	32.6	Very low	110 Å²	110	111.5 Å²	111.5	77%	0.769	58%	0.579	S	S	*	*	S	Bend	trans	94.1	-2.5	146.8	77.4	0	0	0	0	123.2
288	N	27.1	Very low	33	Very low	135 Å²	135	112.3 Å²	112.3	72%	0.722	58%	0.581	S	S	*	*			trans	-140.4	81.6	171.9	-78	-41.2	0	0	0	111.9	L290	N288-L290 PolarHBondContact O-N 3.48Å; N288-L290 VanDerWaalsContact O-N 3.07Å
289	K	26.3	Very low	33.2	Very low	159 Å²	159	114.2 Å²	114.2	69%	0.691	58%	0.582	S	S	*	*			trans	-61.8	106.8	165.6	-117.9	178.6	176.4	-171.5	0	107.2	N291 E372	K289-N291 PolarHBondContact O-N 3.44Å; K289-E372 WeakPolarHBondContact CE-OE1 3.36Å; K289-E372 VanDerWaalsContact CE-OE2 3.23Å; K289-E372 WeakPolarHBondContact CE-OE2 3.45Å; K289-E372 VanDerWaalsContact NZ-CD 3.25Å; K289-E372 IonicContact NZ-OE1 2.67Å; K289-E372 PolarHBondContact NZ-OE1 2.88Å; K289-E372 VanDerWaalsContact NZ-OE1 3.13Å; K289-E372 IonicContact NZ-OE2 2.81Å; K289-E372 PolarHBondContact NZ-OE2 2.92Å
290	L	30.5	Very low	33.3	Very low	94 Å²	94	107.5 Å²	107.5	49%	0.492	56%	0.558	S	S	.	*			trans	-51.4	118.7	171.4	-99.2	102.3	0	0	0	107.7	N288 E294 I295 L298	N288-L290 PolarHBondContact O-N 3.48Å; N288-L290 VanDerWaalsContact O-N 3.07Å; L290-E294 VanDerWaalsContact CA-OE2 3.25Å; L290-E294 WeakPolarHBondContact CA-OE2 3.48Å; L290-E294 HydrophobicContact CD2-CB 3.89Å; L290-E294 HydrophobicContact CG-CB 4.49Å; L290-E294 WeakPolarHBondContact CG-OE2 3.21Å; L290-I295 HydrophobicContact CB-CG1 4.37Å; L290-L298 HydrophobicContact CD2-CD1 4.25Å
291	N	31.2	Very low	33.6	Very low	101 Å²	101	104.1 Å²	104.1	54%	0.54	55%	0.55	S	S	.	*			trans	-67.7	150.8	-173.2	-150	-6.2	0	0	0	108.6	K289 I293 E294 I295	K289-N291 PolarHBondContact O-N 3.44Å; N291-I293 PolarHBondContact O-N 2.77Å; N291-E294 PolarHBondContact N-OE2 3.04Å; N291-E294 VanDerWaalsContact N-OE2 3.16Å; N291-E294 WeakPolarHBondContact O-CB 3.41Å; N291-E294 PolarHBondContact O-N 2.89Å; N291-I295 PolarHBondContact O-N 3.07Å
292	S	30.9	Very low	34	Very low	85 Å²	85	101.5 Å²	101.5	59%	0.594	54%	0.54	S	S	*	.	H	α-helix	trans	-50.9	-27	-178	54.3	0	0	0	0	113.6	F296	S292-F296 VanDerWaalsContact O-CB 3.28Å; S292-F296 WeakPolarHBondContact O-CB 3.33Å; S292-F296 PolarHBondContact O-N 3.48Å; S292-F296 VanDerWaalsContact O-N 3.13Å
293	I	34.3	Very low	34.2	Very low	103 Å²	103	96.1 Å²	96.1	53%	0.528	51%	0.511	S	S	.	.	H	α-helix	trans	-68.6	-37.6	175.1	-63.2	166.8	0	0	0	112.6	N291 F296 N297	N291-I293 PolarHBondContact O-N 2.77Å; I293-F296 PolarHBondContact O-N 3.37Å; I293-N297 WeakPolarHBondContact O-CB 3.48Å; I293-N297 PolarHBondContact O-N 3.28Å; I293-N297 PolarHBondContact O-ND2 3.08Å; I293-N297 VanDerWaalsContact O-ND2 3.14Å
294	E	36.8	Very low	34.5	Very low	99 Å²	99	96 Å²	96	46%	0.463	51%	0.505	S	S	.	.	H	α-helix	trans	-73.4	-40.5	-179.2	-63.8	179.5	143.8	0	0	111.5	L290 N291 F296 N297 L298	L290-E294 VanDerWaalsContact CA-OE2 3.25Å; L290-E294 WeakPolarHBondContact CA-OE2 3.48Å; L290-E294 HydrophobicContact CD2-CB 3.89Å; L290-E294 HydrophobicContact CG-CB 4.49Å; L290-E294 WeakPolarHBondContact CG-OE2 3.21Å; N291-E294 PolarHBondContact N-OE2 3.04Å; N291-E294 VanDerWaalsContact N-OE2 3.16Å; N291-E294 WeakPolarHBondContact O-CB 3.41Å; N291-E294 PolarHBondContact O-N 2.89Å; E294-F296 VanDerWaalsContact C-N 3.33Å; E294-N297 PolarHBondContact O-N 3.31Å; E294-L298 WeakPolarHBondContact O-CB 3.3Å; E294-L298 PolarHBondContact O-N 3.45Å
295	I	36.9	Very low	35	Very low	85 Å²	85	93 Å²	93	44%	0.436	49%	0.486	S	S	.	.	H	α-helix	trans	-62.2	-43.5	172.2	-61.3	177.5	0	0	0	110.1	L290 N291 L298 Y299	L290-I295 HydrophobicContact CB-CG1 4.37Å; N291-I295 PolarHBondContact O-N 3.07Å; I295-L298 WeakPolarHBondContact O-CB 3.37Å; I295-L298 PolarHBondContact O-N 3.04Å; I295-Y299 WeakPolarHBondContact O-CB 3.41Å; I295-Y299 PolarHBondContact O-N 3.48Å
296	F	37.3	Very low	35.6	Very low	31 Å²	31	88.9 Å²	88.9	14%	0.136	46%	0.464	C	S	.	.	H	α-helix	trans	-64	-40.3	176.2	-178.4	-112.2	0	0	0	113	S292 I293 E294 Y299 N300 F344 T345 L348	S292-F296 VanDerWaalsContact O-CB 3.28Å; S292-F296 WeakPolarHBondContact O-CB 3.33Å; S292-F296 PolarHBondContact O-N 3.48Å; S292-F296 VanDerWaalsContact O-N 3.13Å; I293-F296 PolarHBondContact O-N 3.37Å; E294-F296 VanDerWaalsContact C-N 3.33Å; F296-Y299 PolarHBondContact O-N 2.91Å; F296-N300 VanDerWaalsContact CD1-ND2 3.3Å; F296-N300 WeakPolarHBondContact CD1-ND2 3.39Å; F296-N300 WeakPolarHBondContact CE1-ND2 3.34Å; F296-N300 WeakPolarHBondContact CZ-ND2 3.45Å; F296-N300 WeakPolarHBondContact O-CB 3.36Å; F296-N300 PolarHBondContact O-N 3.31Å; F296-N300 PolarHBondContact O-ND2 2.95Å; F296-N300 VanDerWaalsContact O-ND2 3.17Å; F296-F344 HydrophobicContact CE2-CD1 4.31Å; F296-F344 HydrophobicContact CE2-CE1 4.27Å; F296-T345 HydrophobicContact CE1-CG2 3.94Å; F296-T345 HydrophobicContact CE2-CG2 4.44Å; F296-T345 HydrophobicContact CZ-CG2 3.46Å; F296-T345 VanDerWaalsContact CZ-CG2 3.46Å; F296-L348 HydrophobicContact CD2-CD1 4Å; F296-L348 HydrophobicContact CE1-CD1 4.43Å; F296-L348 HydrophobicContact CE2-CD1 3.28Å; F296-L348 HydrophobicContact CZ-CB 4.29Å; F296-L348 HydrophobicContact CZ-CD1 3.51Å
297	N	41	Very low	36	Very low	73 Å²	73	82.3 Å²	82.3	39%	0.39	43%	0.429	S	S	.	.	H	α-helix	trans	-67.7	-38.9	176.1	-74.5	-26.4	0	0	0	112	I293 E294 T301	I293-N297 WeakPolarHBondContact O-CB 3.48Å; I293-N297 PolarHBondContact O-N 3.28Å; I293-N297 PolarHBondContact O-ND2 3.08Å; I293-N297 VanDerWaalsContact O-ND2 3.14Å; E294-N297 PolarHBondContact O-N 3.31Å; N297-T301 WeakPolarHBondContact O-CB 3.44Å; N297-T301 PolarHBondContact O-N 2.82Å; N297-T301 PolarHBondContact O-OG1 2.85Å
298	L	43.1	Very low	36.6	Very low	97 Å²	97	82.4 Å²	82.4	51%	0.508	42%	0.417	S	S	.	.	H	α-helix	trans	-60	-46.7	171	-92.3	151.1	0	0	0	111.3	L290 E294 I295 T301 L302	L290-L298 HydrophobicContact CD2-CD1 4.25Å; E294-L298 WeakPolarHBondContact O-CB 3.3Å; E294-L298 PolarHBondContact O-N 3.45Å; I295-L298 WeakPolarHBondContact O-CB 3.37Å; I295-L298 PolarHBondContact O-N 3.04Å; L298-T301 PolarHBondContact O-N 2.93Å; L298-L302 WeakPolarHBondContact O-CB 3.28Å; L298-L302 VanDerWaalsContact O-CG 3.31Å; L298-L302 WeakPolarHBondContact O-CG 3.49Å; L298-L302 PolarHBondContact O-N 2.98Å
299	Y	39.7	Very low	37.1	Very low	124 Å²	124	80.5 Å²	80.5	49%	0.486	40%	0.402	S	S	.	.	H	α-helix	trans	-63.7	-44.6	178.4	-163	-106.7	0	0	0	112.3	I295 F296 T301 L302 I303	I295-Y299 WeakPolarHBondContact O-CB 3.41Å; I295-Y299 PolarHBondContact O-N 3.48Å; F296-Y299 PolarHBondContact O-N 2.91Å; Y299-T301 VanDerWaalsContact C-N 3.33Å; Y299-T301 PolarHBondContact O-N 3.02Å; Y299-L302 WeakPolarHBondContact O-CB 3.35Å; Y299-L302 PolarHBondContact O-N 2.89Å; Y299-I303 HydrophobicContact CD1-CD1 3.42Å; Y299-I303 VanDerWaalsContact CD1-CD1 3.42Å; Y299-I303 HydrophobicContact CD1-CG1 4.39Å; Y299-I303 HydrophobicContact CE1-CD1 3.31Å; Y299-I303 HydrophobicContact CE1-CG1 4.31Å; Y299-I303 HydrophobicContact CG-CD1 4.27Å; Y299-I303 VanDerWaalsContact O-CG1 3.29Å; Y299-I303 WeakPolarHBondContact O-CG1 3.41Å; Y299-I303 PolarHBondContact O-N 3.13Å
300	N	40.5	Very low	37.6	Very low	18 Å²	18	77.8 Å²	77.8	10%	0.096	39%	0.392	C	S	.	.	H	α-helix	trans	-64.8	-35.2	175.6	-78.4	-39.2	0	0	0	113.2	F296 K304	F296-N300 VanDerWaalsContact CD1-ND2 3.3Å; F296-N300 WeakPolarHBondContact CD1-ND2 3.39Å; F296-N300 WeakPolarHBondContact CE1-ND2 3.34Å; F296-N300 WeakPolarHBondContact CZ-ND2 3.45Å; F296-N300 WeakPolarHBondContact O-CB 3.36Å; F296-N300 PolarHBondContact O-N 3.31Å; F296-N300 PolarHBondContact O-ND2 2.95Å; F296-N300 VanDerWaalsContact O-ND2 3.17Å; N300-K304 WeakPolarHBondContact O-CB 2.91Å; N300-K304 VanDerWaalsContact O-CG 3.31Å; N300-K304 WeakPolarHBondContact O-CG 3.16Å; N300-K304 PolarHBondContact O-N 3.3Å
301	T	44	Very low	37.8	Very low	82 Å²	82	76.1 Å²	76.1	50%	0.503	38%	0.384	S	S	.	.	H	α-helix	trans	-70.6	-40	176.5	-52.1	0	0	0	0	110.6	N297 L298 Y299 K304 T305	N297-T301 WeakPolarHBondContact O-CB 3.44Å; N297-T301 PolarHBondContact O-N 2.82Å; N297-T301 PolarHBondContact O-OG1 2.85Å; L298-T301 PolarHBondContact O-N 2.93Å; Y299-T301 VanDerWaalsContact C-N 3.33Å; Y299-T301 PolarHBondContact O-N 3.02Å; T301-K304 PolarHBondContact O-N 2.67Å; T301-T305 HydrophobicContact CG2-CG2 4.42Å; T301-T305 WeakPolarHBondContact O-CB 3.49Å; T301-T305 WeakPolarHBondContact O-CG2 3.22Å; T301-T305 PolarHBondContact O-N 2.99Å; T301-T305 PolarHBondContact O-OG1 3.19Å
302	L	40.4	Very low	37.9	Very low	72 Å²	72	73.3 Å²	73.3	38%	0.377	37%	0.365	S	S	.	.	H	α-helix	trans	-60.9	-44.7	172.7	-76.3	163.3	0	0	0	111.7	L298 Y299 T305 N306	L298-L302 WeakPolarHBondContact O-CB 3.28Å; L298-L302 VanDerWaalsContact O-CG 3.31Å; L298-L302 WeakPolarHBondContact O-CG 3.49Å; L298-L302 PolarHBondContact O-N 2.98Å; Y299-L302 WeakPolarHBondContact O-CB 3.35Å; Y299-L302 PolarHBondContact O-N 2.89Å; L302-T305 WeakPolarHBondContact CA-OG1 3.33Å; L302-T305 PolarHBondContact O-N 3.12Å; L302-T305 PolarHBondContact O-OG1 3.43Å; L302-N306 WeakPolarHBondContact O-CB 3.37Å; L302-N306 VanDerWaalsContact O-CG 3.29Å; L302-N306 PolarHBondContact O-N 3.3Å; L302-N306 PolarHBondContact O-ND2 3.41Å
303	I	36.8	Very low	38.1	Very low	18 Å²	18	74.2 Å²	74.2	9%	0.092	36%	0.36	C	S	.	.	H	α-helix	trans	-65.5	-48.7	177.7	-68	165.3	0	0	0	111.4	Y299 T305 N306 I307 Y337 I341	Y299-I303 HydrophobicContact CD1-CD1 3.42Å; Y299-I303 VanDerWaalsContact CD1-CD1 3.42Å; Y299-I303 HydrophobicContact CD1-CG1 4.39Å; Y299-I303 HydrophobicContact CE1-CD1 3.31Å; Y299-I303 HydrophobicContact CE1-CG1 4.31Å; Y299-I303 HydrophobicContact CG-CD1 4.27Å; Y299-I303 VanDerWaalsContact O-CG1 3.29Å; Y299-I303 WeakPolarHBondContact O-CG1 3.41Å; Y299-I303 PolarHBondContact O-N 3.13Å; I303-T305 VanDerWaalsContact C-N 3.32Å; I303-T305 PolarHBondContact O-N 2.74Å; I303-N306 PolarHBondContact O-N 2.84Å; I303-I307 HydrophobicContact CG2-CD1 3.65Å; I303-I307 HydrophobicContact CG2-CG1 4.26Å; I303-I307 VanDerWaalsContact O-CG1 3.29Å; I303-I307 WeakPolarHBondContact O-CG1 3.25Å; I303-I307 PolarHBondContact O-N 3.08Å; I303-Y337 HydrophobicContact CG2-CE1 3.82Å; I303-I341 HydrophobicContact CG2-CD1 3.39Å; I303-I341 HydrophobicContact CG2-CG1 4.43Å
304	K	41.1	Very low	37.9	Very low	132 Å²	132	70 Å²	70	57%	0.574	34%	0.338	S	S	*	.	H	α-helix	trans	-60.6	-39.3	177.8	-76.7	176.6	180	177.5	0	112.6	N300 T301 H308	N300-K304 WeakPolarHBondContact O-CB 2.91Å; N300-K304 VanDerWaalsContact O-CG 3.31Å; N300-K304 WeakPolarHBondContact O-CG 3.16Å; N300-K304 PolarHBondContact O-N 3.3Å; T301-K304 PolarHBondContact O-N 2.67Å; K304-H308 WeakPolarHBondContact O-CB 3.49Å; K304-H308 PolarHBondContact O-N 3.32Å
305	T	40.4	Very low	37.9	Very low	26 Å²	26	71.8 Å²	71.8	16%	0.16	35%	0.347	C	S	.	.	H	α-helix	trans	-70.1	-34.2	177.6	55.9	0	0	0	0	112.1	L226 T301 L302 I303 K309	L226-T305 HydrophobicContact CD1-CG2 3.82Å; L226-T305 HydrophobicContact CG-CG2 4.41Å; T301-T305 HydrophobicContact CG2-CG2 4.42Å; T301-T305 WeakPolarHBondContact O-CB 3.49Å; T301-T305 WeakPolarHBondContact O-CG2 3.22Å; T301-T305 PolarHBondContact O-N 2.99Å; T301-T305 PolarHBondContact O-OG1 3.19Å; L302-T305 WeakPolarHBondContact CA-OG1 3.33Å; L302-T305 PolarHBondContact O-N 3.12Å; L302-T305 PolarHBondContact O-OG1 3.43Å; I303-T305 VanDerWaalsContact C-N 3.32Å; I303-T305 PolarHBondContact O-N 2.74Å; T305-K309 WeakPolarHBondContact O-CB 3.26Å; T305-K309 VanDerWaalsContact O-CG 3.22Å; T305-K309 WeakPolarHBondContact O-CG 3.26Å; T305-K309 PolarHBondContact O-N 3.33Å
306	N	37.9	Very low	37.6	Very low	73 Å²	73	75.1 Å²	75.1	39%	0.39	35%	0.354	S	S	.	.	H	α-helix	trans	-69.2	-45.3	173.6	-76.4	-20.8	0	0	0	112.1	L302 I303 H308 K309 E310	L302-N306 WeakPolarHBondContact O-CB 3.37Å; L302-N306 VanDerWaalsContact O-CG 3.29Å; L302-N306 PolarHBondContact O-N 3.3Å; L302-N306 PolarHBondContact O-ND2 3.41Å; I303-N306 PolarHBondContact O-N 2.84Å; N306-H308 VanDerWaalsContact C-N 3.34Å; N306-H308 PolarHBondContact O-N 3.38Å; N306-K309 CarbonylContact O-C 3.53Å; N306-K309 WeakPolarHBondContact O-CA 3.34Å; N306-K309 WeakPolarHBondContact O-CB 3.32Å; N306-K309 PolarHBondContact O-N 3.24Å; N306-E310 PolarHBondContact O-N 3.34Å
307	I	34.9	Very low	37.4	Very low	12 Å²	12	76 Å²	76	6%	0.062	36%	0.36	C	S	.	.	H	α-helix	trans	-60.8	-44.3	174.1	-63.5	168	0	0	0	110.4	I303 K309 E310 D311 Y337 N338 I341	I303-I307 HydrophobicContact CG2-CD1 3.65Å; I303-I307 HydrophobicContact CG2-CG1 4.26Å; I303-I307 VanDerWaalsContact O-CG1 3.29Å; I303-I307 WeakPolarHBondContact O-CG1 3.25Å; I303-I307 PolarHBondContact O-N 3.08Å; I307-K309 VanDerWaalsContact C-N 3.27Å; I307-K309 PolarHBondContact O-N 3.19Å; I307-E310 PolarHBondContact O-N 3.42Å; I307-D311 WeakPolarHBondContact O-CB 3.15Å; I307-D311 PolarHBondContact O-N 3.18Å; I307-Y337 HydrophobicContact CD1-CD1 3.67Å; I307-Y337 HydrophobicContact CD1-CE1 3.7Å; I307-Y337 HydrophobicContact CG1-CD1 4.08Å; I307-Y337 HydrophobicContact CG1-CE1 3.98Å; I307-N338 WeakPolarHBondContact CD1-OD1 3.35Å; I307-I341 HydrophobicContact CD1-CD1 3.96Å
308	H	38.3	Very low	37	Very low	111 Å²	111	75.2 Å²	75.2	51%	0.514	36%	0.356	S	S	.	.	H	α-helix	trans	-65.4	-28.1	174.9	-97	-58.9	0	0	0	113.6	L226 K304 N306 R312	L226-H308 HydrophobicContact CD1-CB 4.39Å; K304-H308 WeakPolarHBondContact O-CB 3.49Å; K304-H308 PolarHBondContact O-N 3.32Å; N306-H308 VanDerWaalsContact C-N 3.34Å; N306-H308 PolarHBondContact O-N 3.38Å; H308-R312 VanDerWaalsContact O-CB 3.26Å; H308-R312 WeakPolarHBondContact O-CB 3.01Å; H308-R312 WeakPolarHBondContact O-CG 3.3Å; H308-R312 PolarHBondContact O-N 2.77Å; H308-R312 PolarHBondContact O-NE 3.23Å
309	K	37.1	Very low	36.4	Very low	95 Å²	95	75.9 Å²	75.9	41%	0.413	36%	0.364	S	S	.	.	H	α-helix	trans	-73.7	-43	173.3	-78.9	170.2	-176.3	175.1	0	110.2	T305 N306 I307 R312 H313	T305-K309 WeakPolarHBondContact O-CB 3.26Å; T305-K309 VanDerWaalsContact O-CG 3.22Å; T305-K309 WeakPolarHBondContact O-CG 3.26Å; T305-K309 PolarHBondContact O-N 3.33Å; N306-K309 CarbonylContact O-C 3.53Å; N306-K309 WeakPolarHBondContact O-CA 3.34Å; N306-K309 WeakPolarHBondContact O-CB 3.32Å; N306-K309 PolarHBondContact O-N 3.24Å; I307-K309 VanDerWaalsContact C-N 3.27Å; I307-K309 PolarHBondContact O-N 3.19Å; K309-R312 PolarHBondContact O-N 3.33Å; K309-H313 WeakPolarHBondContact O-CB 3.35Å; K309-H313 PolarHBondContact O-N 2.96Å
310	E	36.3	Very low	36	Very low	102 Å²	102	77.4 Å²	77.4	48%	0.477	37%	0.373	S	S	.	.	H	α-helix	trans	-64.8	-46.2	175	-73.1	-168.6	166.3	0	0	112.1	N306 I307 R312 H313 I314	N306-E310 PolarHBondContact O-N 3.34Å; I307-E310 PolarHBondContact O-N 3.42Å; E310-R312 VanDerWaalsContact C-N 3.27Å; E310-R312 PolarHBondContact O-N 3.4Å; E310-H313 CarbonylContact O-C 3.44Å; E310-H313 WeakPolarHBondContact O-CA 3.28Å; E310-H313 WeakPolarHBondContact O-CB 3.48Å; E310-H313 PolarHBondContact O-N 3.06Å; E310-I314 WeakPolarHBondContact O-CB 3.41Å; E310-I314 WeakPolarHBondContact O-CD1 3.33Å; E310-I314 VanDerWaalsContact O-CG1 3.23Å; E310-I314 WeakPolarHBondContact O-CG1 3.45Å; E310-I314 PolarHBondContact O-N 2.72Å
311	D	35.4	Very low	35.4	Very low	59 Å²	59	80.1 Å²	80.1	32%	0.316	38%	0.383	S	S	.	.	H	α-helix	trans	-60.5	-37.3	174.6	-87	-21.4	0	0	0	112	I307 H315	I307-D311 WeakPolarHBondContact O-CB 3.15Å; I307-D311 PolarHBondContact O-N 3.18Å; D311-H315 VanDerWaalsContact O-CB 3.26Å; D311-H315 WeakPolarHBondContact O-CB 3.45Å; D311-H315 PolarHBondContact O-N 3.14Å
312	R	33	Very low	34.9	Very low	42 Å²	42	86.5 Å²	86.5	16%	0.158	40%	0.403	C	S	.	.	H	α-helix	trans	-71.6	-32.8	172.7	-80.7	-178.1	-73.4	172.2	-3.4	112.7	Y227 H308 K309 E310 H315 R316	Y227-R312 VanDerWaalsContact CE2-CD 3.41Å; Y227-R312 VanDerWaalsContact CZ-CD 3.49Å; Y227-R312 WeakPolarHBondContact OH-CD 3.4Å; H308-R312 VanDerWaalsContact O-CB 3.26Å; H308-R312 WeakPolarHBondContact O-CB 3.01Å; H308-R312 WeakPolarHBondContact O-CG 3.3Å; H308-R312 PolarHBondContact O-N 2.77Å; H308-R312 PolarHBondContact O-NE 3.23Å; K309-R312 PolarHBondContact O-N 3.33Å; E310-R312 VanDerWaalsContact C-N 3.27Å; E310-R312 PolarHBondContact O-N 3.4Å; R312-H315 PolarHBondContact O-N 3.06Å; R312-R316 VanDerWaalsContact O-CB 3.23Å; R312-R316 WeakPolarHBondContact O-CB 3.35Å; R312-R316 VanDerWaalsContact O-CG 3.29Å; R312-R316 WeakPolarHBondContact O-CG 3.41Å; R312-R316 PolarHBondContact O-N 3.5Å
313	H	35	Very low	34.7	Very low	105 Å²	105	86.5 Å²	86.5	49%	0.486	40%	0.404	S	S	.	.	H	α-helix	trans	-68.7	-42.9	174.7	-148.8	-84.9	0	0	0	110.2	K309 E310 R316 N317	K309-H313 WeakPolarHBondContact O-CB 3.35Å; K309-H313 PolarHBondContact O-N 2.96Å; E310-H313 CarbonylContact O-C 3.44Å; E310-H313 WeakPolarHBondContact O-CA 3.28Å; E310-H313 WeakPolarHBondContact O-CB 3.48Å; E310-H313 PolarHBondContact O-N 3.06Å; H313-R316 PolarHBondContact O-N 3.19Å; H313-N317 PolarHBondContact CE1-ND2 3.31Å; H313-N317 PolarHBondContact ND1-ND2 3.5Å; H313-N317 VanDerWaalsContact ND1-ND2 3.12Å; H313-N317 WeakPolarHBondContact O-CA 3.31Å; H313-N317 WeakPolarHBondContact O-CB 3.4Å; H313-N317 PolarHBondContact O-N 3.14Å
314	I	31.3	Very low	34.5	Very low	13 Å²	13	93 Å²	93	7%	0.067	43%	0.428	C	S	.	.	H	α-helix	trans	-63.9	-41.3	172	-64.4	160.8	0	0	0	110.1	E310 N318 L327 I330	E310-I314 WeakPolarHBondContact O-CB 3.41Å; E310-I314 WeakPolarHBondContact O-CD1 3.33Å; E310-I314 VanDerWaalsContact O-CG1 3.23Å; E310-I314 WeakPolarHBondContact O-CG1 3.45Å; E310-I314 PolarHBondContact O-N 2.72Å; I314-N318 PolarHBondContact O-N 3.16Å; I314-N318 PolarHBondContact O-ND2 3.23Å; I314-N318 PolarHBondContact O-OD1 2.82Å; I314-L327 HydrophobicContact CG2-CD2 4.01Å; I314-I330 HydrophobicContact CD1-CG2 3.57Å; I314-I330 HydrophobicContact CG1-CG2 4.34Å
315	H	35.4	Very low	34.2	Very low	138 Å²	138	93.8 Å²	93.8	64%	0.639	43%	0.432	S	S	*	.	H	α-helix	trans	-68.4	-38.3	177.2	-105.3	-71.1	0	0	0	113.7	D311 R312 N318	D311-H315 VanDerWaalsContact O-CB 3.26Å; D311-H315 WeakPolarHBondContact O-CB 3.45Å; D311-H315 PolarHBondContact O-N 3.14Å; R312-H315 PolarHBondContact O-N 3.06Å; H315-N318 PolarHBondContact O-ND2 3.16Å
316	R	32	Very low	33.8	Very low	154 Å²	154	96.3 Å²	96.3	58%	0.581	44%	0.442	S	S	*	.	H	α-helix	trans	-78.9	-32.9	178.4	-77.3	176.4	171.4	163.3	-3.6	112.9	R312 H313	R312-R316 VanDerWaalsContact O-CB 3.23Å; R312-R316 WeakPolarHBondContact O-CB 3.35Å; R312-R316 VanDerWaalsContact O-CG 3.29Å; R312-R316 WeakPolarHBondContact O-CG 3.41Å; R312-R316 PolarHBondContact O-N 3.5Å; H313-R316 PolarHBondContact O-N 3.19Å
317	N	31.8	Very low	33.7	Very low	49 Å²	49	93.7 Å²	93.7	26%	0.262	43%	0.428	S	S	.	.			trans	-105.2	19.4	-179.6	-61.6	-7.3	0	0	0	112.8	H313 T319 F320 Y321	H313-N317 PolarHBondContact CE1-ND2 3.31Å; H313-N317 PolarHBondContact ND1-ND2 3.5Å; H313-N317 VanDerWaalsContact ND1-ND2 3.12Å; H313-N317 WeakPolarHBondContact O-CA 3.31Å; H313-N317 WeakPolarHBondContact O-CB 3.4Å; H313-N317 PolarHBondContact O-N 3.14Å; N317-T319 PolarHBondContact O-N 3.15Å; N317-F320 HydrophobicContact CB-CB 4.33Å; N317-F320 PolarHBondContact O-N 3Å; N317-Y321 WeakPolarHBondContact O-CD2 3.16Å
318	N	32.3	Very low	34	Very low	58 Å²	58	99.4 Å²	99.4	31%	0.31	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-9.1	164.2	-91.9	-39.7	0	0	0	112.4	I314 H315 R331	I314-N318 PolarHBondContact O-N 3.16Å; I314-N318 PolarHBondContact O-ND2 3.23Å; I314-N318 PolarHBondContact O-OD1 2.82Å; H315-N318 PolarHBondContact O-ND2 3.16Å; N318-R331 PolarHBondContact OD1-NH2 3.44Å
319	T	30.8	Very low	34.1	Very low	110 Å²	110	98.6 Å²	98.6	68%	0.675	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-11.5	173.1	50.6	0	0	0	0	114.4	N317	N317-T319 PolarHBondContact O-N 3.15Å
320	F	31.4	Very low	34	Very low	157 Å²	157	96 Å²	96	69%	0.689	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	-21.7	-174.6	-99.4	-87.3	0	0	0	114.8	N317 K322	N317-F320 HydrophobicContact CB-CB 4.33Å; N317-F320 PolarHBondContact O-N 3Å; F320-K322 PolarHBondContact O-N 3.36Å
321	Y	28.4	Very low	34.2	Very low	75 Å²	75	95.4 Å²	95.4	29%	0.294	43%	0.432	S	S	.	.			trans	-81	101	175.6	-66.5	-81.1	0	0	0	109.1	N317 D323 L327 I330	N317-Y321 WeakPolarHBondContact O-CD2 3.16Å; Y321-D323 PolarHBondContact O-N 3.26Å; Y321-L327 HydrophobicContact CD2-CD2 3.81Å; Y321-L327 HydrophobicContact CD2-CG 4.22Å; Y321-L327 HydrophobicContact CE2-CD2 4.39Å; Y321-L327 HydrophobicContact CG-CD1 4.37Å; Y321-L327 HydrophobicContact CG-CD2 4Å; Y321-L327 HydrophobicContact CG-CG 3.9Å; Y321-I330 HydrophobicContact CD1-CD1 4.5Å; Y321-I330 HydrophobicContact CE1-CD1 3.79Å
322	K	33.6	Very low	34.5	Very low	215 Å²	215	99.2 Å²	99.2	94%	0.935	45%	0.446	S	S	*	.			trans	-68.6	-20.3	176.8	-80.7	-176.2	173.9	-176.7	0	112.7	F320	F320-K322 PolarHBondContact O-N 3.36Å
323	D	34.8	Very low	34.6	Very low	72 Å²	72	102 Å²	102	39%	0.385	46%	0.457	S	S	.	.			trans	-117	123.3	-172.2	-145.3	-24.4	0	0	0	113.1	Y321 K325 E326	Y321-D323 PolarHBondContact O-N 3.26Å; D323-K325 PolarHBondContact O-N 2.88Å; D323-E326 HydrophobicContact CB-CG 4.31Å; D323-E326 PolarHBondContact O-N 3.1Å
324	Y	33.1	Very low	34.7	Very low	154 Å²	154	97.5 Å²	97.5	60%	0.604	44%	0.437	S	S	*	.	H	α-helix	trans	-63.4	-26.9	-179.2	174.5	-106.5	0	0	0	112.3	K328	Y324-K328 WeakPolarHBondContact O-CB 3.19Å; Y324-K328 PolarHBondContact O-N 3.33Å
325	K	35	Very low	35.3	Very low	150 Å²	150	103.6 Å²	103.6	65%	0.652	46%	0.463	S	S	*	.	H	α-helix	trans	-68.5	-43.3	177.5	-82	-179.8	176.5	176.1	0	112.9	D323 L327 K328 Q329	D323-K325 PolarHBondContact O-N 2.88Å; K325-L327 PolarHBondContact O-N 2.93Å; K325-K328 WeakPolarHBondContact O-CB 3.04Å; K325-K328 PolarHBondContact O-N 2.96Å; K325-K328 VanDerWaalsContact O-N 3.15Å; K325-Q329 PolarHBondContact O-N 2.95Å
326	E	32.7	Very low	35.5	Very low	78 Å²	78	99.9 Å²	99.9	36%	0.364	45%	0.453	S	S	.	.	H	α-helix	trans	-63.2	-44.7	179.9	-68.8	-177.1	161.8	0	0	111.4	D323 K328 Q329 I330	D323-E326 HydrophobicContact CB-CG 4.31Å; D323-E326 PolarHBondContact O-N 3.1Å; E326-K328 VanDerWaalsContact C-N 3.26Å; E326-K328 PolarHBondContact O-N 3.49Å; E326-Q329 PolarHBondContact O-N 3.45Å; E326-I330 VanDerWaalsContact O-CG1 3.28Å; E326-I330 WeakPolarHBondContact O-CG1 3.23Å; E326-I330 PolarHBondContact O-N 2.93Å
327	L	35.1	Very low	35.8	Very low	19 Å²	19	95.5 Å²	95.5	10%	0.099	44%	0.436	C	S	.	.	H	α-helix	trans	-63	-31.6	175.4	-83.2	167.3	0	0	0	112.9	I314 Y321 K325 R331	I314-L327 HydrophobicContact CG2-CD2 4.01Å; Y321-L327 HydrophobicContact CD2-CD2 3.81Å; Y321-L327 HydrophobicContact CD2-CG 4.22Å; Y321-L327 HydrophobicContact CE2-CD2 4.39Å; Y321-L327 HydrophobicContact CG-CD1 4.37Å; Y321-L327 HydrophobicContact CG-CD2 4Å; Y321-L327 HydrophobicContact CG-CG 3.9Å; K325-L327 PolarHBondContact O-N 2.93Å; L327-R331 WeakPolarHBondContact O-CB 3.4Å; L327-R331 VanDerWaalsContact O-CG 3.23Å; L327-R331 WeakPolarHBondContact O-CG 3.41Å; L327-R331 PolarHBondContact O-N 3.29Å
328	K	41.2	Very low	36.1	Very low	131 Å²	131	95.5 Å²	95.5	57%	0.57	44%	0.437	S	S	*	.	H	α-helix	trans	-72.9	-39.8	177.2	-169	175.6	-179.2	177.5	0	111.4	Y324 K325 E326 K332	Y324-K328 WeakPolarHBondContact O-CB 3.19Å; Y324-K328 PolarHBondContact O-N 3.33Å; K325-K328 WeakPolarHBondContact O-CB 3.04Å; K325-K328 PolarHBondContact O-N 2.96Å; K325-K328 VanDerWaalsContact O-N 3.15Å; E326-K328 VanDerWaalsContact C-N 3.26Å; E326-K328 PolarHBondContact O-N 3.49Å; K328-K332 WeakPolarHBondContact O-CB 3.1Å; K328-K332 PolarHBondContact O-N 2.95Å
329	Q	40.2	Very low	36.7	Very low	94 Å²	94	96.4 Å²	96.4	44%	0.439	44%	0.439	S	S	.	.	H	α-helix	trans	-68	-45.2	175.1	-87.4	162.8	-23.1	0	0	112.2	K325 E326 R331 K332 Y333	K325-Q329 PolarHBondContact O-N 2.95Å; E326-Q329 PolarHBondContact O-N 3.45Å; Q329-R331 VanDerWaalsContact C-N 3.32Å; Q329-R331 PolarHBondContact O-N 3.42Å; Q329-K332 WeakPolarHBondContact O-CB 3.32Å; Q329-K332 PolarHBondContact O-N 3.29Å; Q329-K332 VanDerWaalsContact O-N 3.1Å; Q329-Y333 WeakPolarHBondContact O-CB 3.42Å; Q329-Y333 PolarHBondContact O-N 3.05Å
330	I	34.9	Very low	37	Very low	41 Å²	41	96.5 Å²	96.5	21%	0.21	43%	0.434	C	S	.	.	H	α-helix	trans	-61.7	-39.8	177.9	-66.5	166	0	0	0	111.3	I314 Y321 E326 Y333 T334	I314-I330 HydrophobicContact CD1-CG2 3.57Å; I314-I330 HydrophobicContact CG1-CG2 4.34Å; Y321-I330 HydrophobicContact CD1-CD1 4.5Å; Y321-I330 HydrophobicContact CE1-CD1 3.79Å; E326-I330 VanDerWaalsContact O-CG1 3.28Å; E326-I330 WeakPolarHBondContact O-CG1 3.23Å; E326-I330 PolarHBondContact O-N 2.93Å; I330-Y333 PolarHBondContact O-N 2.86Å; I330-T334 PolarHBondContact O-N 2.88Å; I330-T334 PolarHBondContact O-OG1 2.88Å
331	R	39.9	Very low	37.4	Very low	89 Å²	89	90.2 Å²	90.2	34%	0.336	41%	0.407	S	S	.	.	H	α-helix	trans	-69.9	-30.2	174.9	-75.7	178.2	-176.6	143.8	10.8	113.7	N318 L327 Q329 T334 K335	N318-R331 PolarHBondContact OD1-NH2 3.44Å; L327-R331 WeakPolarHBondContact O-CB 3.4Å; L327-R331 VanDerWaalsContact O-CG 3.23Å; L327-R331 WeakPolarHBondContact O-CG 3.41Å; L327-R331 PolarHBondContact O-N 3.29Å; Q329-R331 VanDerWaalsContact C-N 3.32Å; Q329-R331 PolarHBondContact O-N 3.42Å; R331-T334 WeakPolarHBondContact CA-OG1 3.49Å; R331-T334 PolarHBondContact O-OG1 2.96Å; R331-K335 WeakPolarHBondContact O-CG 3.41Å; R331-K335 PolarHBondContact O-N 3.3Å
332	K	43.6	Very low	38	Very low	140 Å²	140	91.4 Å²	91.4	61%	0.609	42%	0.415	S	S	*	.	H	α-helix	trans	-69.8	-43.7	173.4	-166.2	179.8	-179.6	-173.3	0	109.8	K328 Q329 K335 S336	K328-K332 WeakPolarHBondContact O-CB 3.1Å; K328-K332 PolarHBondContact O-N 2.95Å; Q329-K332 WeakPolarHBondContact O-CB 3.32Å; Q329-K332 PolarHBondContact O-N 3.29Å; Q329-K332 VanDerWaalsContact O-N 3.1Å; K332-K335 PolarHBondContact O-N 3.16Å; K332-S336 PolarHBondContact O-N 3.3Å; K332-S336 PolarHBondContact O-OG 3.1Å; K332-S336 VanDerWaalsContact O-OG 3.12Å
333	Y	34.5	Very low	38.3	Very low	100 Å²	100	84 Å²	84	39%	0.392	39%	0.394	S	S	.	.	H	α-helix	trans	-63	-49.2	177.8	-179.6	-98.6	0	0	0	113.2	Q329 I330 K335 S336 Y337	Q329-Y333 WeakPolarHBondContact O-CB 3.42Å; Q329-Y333 PolarHBondContact O-N 3.05Å; I330-Y333 PolarHBondContact O-N 2.86Å; Y333-K335 VanDerWaalsContact C-N 3.28Å; Y333-K335 PolarHBondContact O-N 3.11Å; Y333-S336 PolarHBondContact O-N 3.12Å; Y333-S336 VanDerWaalsContact O-N 3.17Å; Y333-Y337 WeakPolarHBondContact O-CB 3.42Å; Y333-Y337 PolarHBondContact O-N 2.71Å
334	T	37.6	Very low	38.2	Very low	10 Å²	10	85.3 Å²	85.3	6%	0.061	40%	0.397	C	S	.	.	H	α-helix	trans	-61.2	-35.2	176.9	28.5	0	0	0	0	112.5	I330 R331 N338	I330-T334 PolarHBondContact O-N 2.88Å; I330-T334 PolarHBondContact O-OG1 2.88Å; R331-T334 WeakPolarHBondContact CA-OG1 3.49Å; R331-T334 PolarHBondContact O-OG1 2.96Å; T334-N338 WeakPolarHBondContact O-CB 2.98Å; T334-N338 VanDerWaalsContact O-CG 3.32Å; T334-N338 PolarHBondContact O-N 3.1Å; T334-N338 PolarHBondContact O-ND2 3.17Å
335	K	42.9	Very low	38.4	Very low	141 Å²	141	79.4 Å²	79.4	61%	0.613	38%	0.377	S	S	*	.	H	α-helix	trans	-68.8	-43.8	173.2	-77.3	-179.7	177.7	-172.9	0	112.7	R331 K332 Y333 Y337 N338 H339	R331-K335 WeakPolarHBondContact O-CG 3.41Å; R331-K335 PolarHBondContact O-N 3.3Å; K332-K335 PolarHBondContact O-N 3.16Å; Y333-K335 VanDerWaalsContact C-N 3.28Å; Y333-K335 PolarHBondContact O-N 3.11Å; K335-Y337 VanDerWaalsContact C-N 3.33Å; K335-N338 PolarHBondContact O-N 2.84Å; K335-H339 PolarHBondContact O-N 2.81Å
336	S	40.1	Very low	38.6	Very low	61 Å²	61	75.2 Å²	75.2	43%	0.427	37%	0.366	S	S	.	.	H	α-helix	trans	-62.7	-41.3	175.5	-62.5	0	0	0	0	111.8	K332 Y333 H339 I340	K332-S336 PolarHBondContact O-N 3.3Å; K332-S336 PolarHBondContact O-OG 3.1Å; K332-S336 VanDerWaalsContact O-OG 3.12Å; Y333-S336 PolarHBondContact O-N 3.12Å; Y333-S336 VanDerWaalsContact O-N 3.17Å; S336-H339 WeakPolarHBondContact O-CB 3.16Å; S336-H339 PolarHBondContact O-N 3.4Å; S336-I340 VanDerWaalsContact O-CG1 3.31Å; S336-I340 WeakPolarHBondContact O-CG1 3.41Å; S336-I340 PolarHBondContact O-N 2.79Å
337	Y	37.1	Very low	38.7	Very low	61 Å²	61	78.7 Å²	78.7	24%	0.239	38%	0.38	C	S	.	.	H	α-helix	trans	-64.7	-45.1	178.3	-170.6	-108.8	0	0	0	112.1	I303 I307 Y333 K335 H339 I340 I341	I303-Y337 HydrophobicContact CG2-CE1 3.82Å; I307-Y337 HydrophobicContact CD1-CD1 3.67Å; I307-Y337 HydrophobicContact CD1-CE1 3.7Å; I307-Y337 HydrophobicContact CG1-CD1 4.08Å; I307-Y337 HydrophobicContact CG1-CE1 3.98Å; Y333-Y337 WeakPolarHBondContact O-CB 3.42Å; Y333-Y337 PolarHBondContact O-N 2.71Å; K335-Y337 VanDerWaalsContact C-N 3.33Å; Y337-H339 VanDerWaalsContact C-N 3.31Å; Y337-H339 PolarHBondContact O-N 3.45Å; Y337-I340 PolarHBondContact O-N 3.28Å; Y337-I341 HydrophobicContact CD1-CD1 3.51Å; Y337-I341 HydrophobicContact CE1-CD1 3.34Å; Y337-I341 HydrophobicContact CE2-CD1 4.43Å; Y337-I341 HydrophobicContact CG-CD1 4.16Å; Y337-I341 WeakPolarHBondContact O-CD1 3.36Å; Y337-I341 WeakPolarHBondContact O-CG1 3.48Å; Y337-I341 PolarHBondContact O-N 3.5Å
338	N	39.7	Very low	38.5	Very low	50 Å²	50	81.2 Å²	81.2	27%	0.267	39%	0.393	S	S	.	.	H	α-helix	trans	-60	-41.2	172.8	-77.6	-47.2	0	0	0	111.9	I307 T334 K335 I340 I341 E342	I307-N338 WeakPolarHBondContact CD1-OD1 3.35Å; T334-N338 WeakPolarHBondContact O-CB 2.98Å; T334-N338 VanDerWaalsContact O-CG 3.32Å; T334-N338 PolarHBondContact O-N 3.1Å; T334-N338 PolarHBondContact O-ND2 3.17Å; K335-N338 PolarHBondContact O-N 2.84Å; N338-I340 PolarHBondContact O-N 2.92Å; N338-I341 PolarHBondContact O-N 2.74Å; N338-E342 VanDerWaalsContact O-CB 3.32Å; N338-E342 WeakPolarHBondContact O-CB 3.16Å; N338-E342 VanDerWaalsContact O-CG 3.26Å; N338-E342 WeakPolarHBondContact O-CG 3.26Å; N338-E342 PolarHBondContact O-N 2.81Å
339	H	44.2	Very low	37.9	Very low	77 Å²	77	80.9 Å²	80.9	36%	0.356	40%	0.396	S	S	.	.	H	α-helix	trans	-61.8	-41	175.4	-105	-68.1	0	0	0	113.2	K335 S336 Y337 A343 Y496	K335-H339 PolarHBondContact O-N 2.81Å; S336-H339 WeakPolarHBondContact O-CB 3.16Å; S336-H339 PolarHBondContact O-N 3.4Å; Y337-H339 VanDerWaalsContact C-N 3.31Å; Y337-H339 PolarHBondContact O-N 3.45Å; H339-A343 WeakPolarHBondContact O-CB 3.49Å; H339-A343 PolarHBondContact O-N 3.35Å; H339-Y496 AromaticContact NE2-CD2 3.99Å
340	I	37.8	Very low	37.6	Very low	112 Å²	112	81.5 Å²	81.5	57%	0.574	40%	0.402	S	S	*	.	H	α-helix	trans	-66.6	-42.6	178.8	-68.5	163.4	0	0	0	110.3	S336 Y337 N338 F344	S336-I340 VanDerWaalsContact O-CG1 3.31Å; S336-I340 WeakPolarHBondContact O-CG1 3.41Å; S336-I340 PolarHBondContact O-N 2.79Å; Y337-I340 PolarHBondContact O-N 3.28Å; N338-I340 PolarHBondContact O-N 2.92Å; I340-F344 WeakPolarHBondContact O-CB 3.5Å; I340-F344 PolarHBondContact O-N 2.87Å
341	I	38.1	Very low	37.2	Very low	24 Å²	24	85.5 Å²	85.5	12%	0.123	42%	0.424	C	S	.	.	H	α-helix	trans	-66.9	-42.4	177.8	-65.8	158.3	0	0	0	111.3	I303 I307 Y337 N338 F344 T345	I303-I341 HydrophobicContact CG2-CD1 3.39Å; I303-I341 HydrophobicContact CG2-CG1 4.43Å; I307-I341 HydrophobicContact CD1-CD1 3.96Å; Y337-I341 HydrophobicContact CD1-CD1 3.51Å; Y337-I341 HydrophobicContact CE1-CD1 3.34Å; Y337-I341 HydrophobicContact CE2-CD1 4.43Å; Y337-I341 HydrophobicContact CG-CD1 4.16Å; Y337-I341 WeakPolarHBondContact O-CD1 3.36Å; Y337-I341 WeakPolarHBondContact O-CG1 3.48Å; Y337-I341 PolarHBondContact O-N 3.5Å; N338-I341 PolarHBondContact O-N 2.74Å; I341-F344 PolarHBondContact O-N 3.34Å; I341-T345 HydrophobicContact CG2-CG2 4.33Å; I341-T345 WeakPolarHBondContact O-CB 3.27Å; I341-T345 VanDerWaalsContact O-CG2 3.26Å; I341-T345 WeakPolarHBondContact O-CG2 3.25Å; I341-T345 PolarHBondContact O-N 3.11Å; I341-T345 PolarHBondContact O-OG1 3.2Å
342	E	41.1	Very low	36.5	Very low	100 Å²	100	85.8 Å²	85.8	47%	0.467	44%	0.439	S	S	.	.	H	α-helix	trans	-66.4	-43.5	176.9	-74.4	175	177.6	0	0	111.4	N338 F344 T345 S346	N338-E342 VanDerWaalsContact O-CB 3.32Å; N338-E342 WeakPolarHBondContact O-CB 3.16Å; N338-E342 VanDerWaalsContact O-CG 3.26Å; N338-E342 WeakPolarHBondContact O-CG 3.26Å; N338-E342 PolarHBondContact O-N 2.81Å; E342-F344 VanDerWaalsContact C-N 3.34Å; E342-F344 PolarHBondContact O-N 3.38Å; E342-T345 VanDerWaalsContact CA-OG1 3.26Å; E342-T345 WeakPolarHBondContact CA-OG1 3.26Å; E342-T345 PolarHBondContact O-N 2.8Å; E342-T345 PolarHBondContact O-OG1 3.25Å; E342-S346 WeakPolarHBondContact O-CB 3.3Å; E342-S346 PolarHBondContact O-N 2.71Å; E342-S346 PolarHBondContact O-OG 2.88Å; E342-S346 VanDerWaalsContact O-OG 3.1Å
343	A	40	Very low	35.5	Very low	59 Å²	59	89 Å²	89	49%	0.488	45%	0.449	S	S	.	.	H	α-helix	trans	-62.8	-40.8	174.5	0	0	0	0	0	112	H339 K347	H339-A343 WeakPolarHBondContact O-CB 3.49Å; H339-A343 PolarHBondContact O-N 3.35Å; A343-K347 WeakPolarHBondContact O-CB 3.48Å; A343-K347 PolarHBondContact O-N 3.09Å
344	F	34.3	Very low	35.1	Very low	101 Å²	101	89.5 Å²	89.5	44%	0.443	46%	0.458	S	S	.	.	H	α-helix	trans	-72	-40.6	179.6	-169.5	-106.4	0	0	0	112.4	F296 I340 I341 E342 K347 L348	F296-F344 HydrophobicContact CE2-CD1 4.31Å; F296-F344 HydrophobicContact CE2-CE1 4.27Å; I340-F344 WeakPolarHBondContact O-CB 3.5Å; I340-F344 PolarHBondContact O-N 2.87Å; I341-F344 PolarHBondContact O-N 3.34Å; E342-F344 VanDerWaalsContact C-N 3.34Å; E342-F344 PolarHBondContact O-N 3.38Å; F344-K347 PolarHBondContact O-N 3.44Å; F344-L348 HydrophobicContact CD1-CD1 3.55Å; F344-L348 HydrophobicContact CE1-CD1 3.21Å; F344-L348 HydrophobicContact CE1-CG 4.29Å; F344-L348 HydrophobicContact CE2-CD1 4.48Å; F344-L348 HydrophobicContact CG-CD1 4.33Å; F344-L348 HydrophobicContact CZ-CD1 3.73Å; F344-L348 HydrophobicContact CZ-CG 4.45Å; F344-L348 WeakPolarHBondContact O-CB 3.21Å; F344-L348 PolarHBondContact O-N 3.4Å
345	T	36.7	Very low	34.4	Very low	29 Å²	29	96.7 Å²	96.7	18%	0.178	50%	0.495	C	S	.	.	H	α-helix	trans	-64.7	-39.3	172.3	48.2	0	0	0	0	111.7	F296 I341 E342 M349	F296-T345 HydrophobicContact CE1-CG2 3.94Å; F296-T345 HydrophobicContact CE2-CG2 4.44Å; F296-T345 HydrophobicContact CZ-CG2 3.46Å; F296-T345 VanDerWaalsContact CZ-CG2 3.46Å; I341-T345 HydrophobicContact CG2-CG2 4.33Å; I341-T345 WeakPolarHBondContact O-CB 3.27Å; I341-T345 VanDerWaalsContact O-CG2 3.26Å; I341-T345 WeakPolarHBondContact O-CG2 3.25Å; I341-T345 PolarHBondContact O-N 3.11Å; I341-T345 PolarHBondContact O-OG1 3.2Å; E342-T345 VanDerWaalsContact CA-OG1 3.26Å; E342-T345 WeakPolarHBondContact CA-OG1 3.26Å; E342-T345 PolarHBondContact O-N 2.8Å; E342-T345 PolarHBondContact O-OG1 3.25Å; T345-M349 WeakPolarHBondContact O-CB 3.38Å; T345-M349 WeakPolarHBondContact O-CG 3.43Å; T345-M349 PolarHBondContact O-N 3.39Å
346	S	38.6	Very low	33.6	Very low	62 Å²	62	97.8 Å²	97.8	43%	0.434	50%	0.502	S	S	.	.	H	α-helix	trans	-66.1	-39.4	171.6	-67.8	0	0	0	0	112.7	E342 N350	E342-S346 WeakPolarHBondContact O-CB 3.3Å; E342-S346 PolarHBondContact O-N 2.71Å; E342-S346 PolarHBondContact O-OG 2.88Å; E342-S346 VanDerWaalsContact O-OG 3.1Å; S346-N350 WeakPolarHBondContact O-CB 3.34Å; S346-N350 PolarHBondContact O-N 3.31Å; S346-N350 PolarHBondContact O-ND2 3.16Å
347	K	34.4	Very low	32.9	Very low	151 Å²	151	99.6 Å²	99.6	66%	0.657	52%	0.515	S	S	*	.	H	α-helix	trans	-66.9	-37.9	176	-117.1	172.9	179.2	176.5	0	112.9	A343 F344 N351	A343-K347 WeakPolarHBondContact O-CB 3.48Å; A343-K347 PolarHBondContact O-N 3.09Å; F344-K347 PolarHBondContact O-N 3.44Å; K347-N351 VanDerWaalsContact O-CB 3.32Å; K347-N351 WeakPolarHBondContact O-CB 3Å; K347-N351 PolarHBondContact O-N 3.4Å; K347-N351 PolarHBondContact O-ND2 3.36Å
348	L	31.3	Very low	32.3	Very low	72 Å²	72	104.2 Å²	104.2	38%	0.377	54%	0.542	S	S	.	.	H	α-helix	trans	-74.4	-38.4	177.1	-82.6	166	0	0	0	112.9	F296 F344 N350	F296-L348 HydrophobicContact CD2-CD1 4Å; F296-L348 HydrophobicContact CE1-CD1 4.43Å; F296-L348 HydrophobicContact CE2-CD1 3.28Å; F296-L348 HydrophobicContact CZ-CB 4.29Å; F296-L348 HydrophobicContact CZ-CD1 3.51Å; F344-L348 HydrophobicContact CD1-CD1 3.55Å; F344-L348 HydrophobicContact CE1-CD1 3.21Å; F344-L348 HydrophobicContact CE1-CG 4.29Å; F344-L348 HydrophobicContact CE2-CD1 4.48Å; F344-L348 HydrophobicContact CG-CD1 4.33Å; F344-L348 HydrophobicContact CZ-CD1 3.73Å; F344-L348 HydrophobicContact CZ-CG 4.45Å; F344-L348 WeakPolarHBondContact O-CB 3.21Å; F344-L348 PolarHBondContact O-N 3.4Å; L348-N350 VanDerWaalsContact C-N 3.33Å
349	M	29.8	Very low	31.5	Very low	125 Å²	125	110.3 Å²	110.3	62%	0.616	57%	0.568	S	S	*	*	H	α-helix	trans	-70.9	-28.4	176.8	-68.9	-82.7	-158.2	0	0	112.5	T345	T345-M349 WeakPolarHBondContact O-CB 3.38Å; T345-M349 WeakPolarHBondContact O-CG 3.43Å; T345-M349 PolarHBondContact O-N 3.39Å
350	N	32.5	Very low	30.5	Very low	107 Å²	107	111.2 Å²	111.2	57%	0.572	58%	0.583	S	S	*	*	H	α-helix	trans	-88.3	-11.8	178.5	-69.7	-16.6	0	0	0	113.9	S346 L348 S352	S346-N350 WeakPolarHBondContact O-CB 3.34Å; S346-N350 PolarHBondContact O-N 3.31Å; S346-N350 PolarHBondContact O-ND2 3.16Å; L348-N350 VanDerWaalsContact C-N 3.33Å; N350-S352 VanDerWaalsContact C-N 3.31Å; N350-S352 PolarHBondContact O-N 3.26Å
351	N	27.8	Very low	29.7	Very low	125 Å²	125	113.4 Å²	113.4	67%	0.668	60%	0.596	S	S	*	*			trans	-91.6	28.1	-179.6	-79.4	-6.2	0	0	0	113.7	K347 Y353	K347-N351 VanDerWaalsContact O-CB 3.32Å; K347-N351 WeakPolarHBondContact O-CB 3Å; K347-N351 PolarHBondContact O-N 3.4Å; K347-N351 PolarHBondContact O-ND2 3.36Å; N351-Y353 PolarHBondContact O-N 3.49Å
352	S	24.1	Very low	29	Very low	94 Å²	94	121.2 Å²	121.2	66%	0.657	63%	0.632	S	S	*	*			trans	-85.7	27.1	171.7	67	0	0	0	0	113.5	N350	N350-S352 VanDerWaalsContact C-N 3.31Å; N350-S352 PolarHBondContact O-N 3.26Å
353	Y	23.6	Very low	28.2	Very low	209 Å²	209	123.8 Å²	123.8	82%	0.82	65%	0.647	S	S	*	*	S	Bend	trans	-131.9	120.6	-179	-84.5	-86.8	0	0	0	112.5	N351	N351-Y353 PolarHBondContact O-N 3.49Å
354	D	24.5	Very low	27.3	Very low	110 Å²	110	129.9 Å²	129.9	59%	0.588	67%	0.665	S	S	*	*			trans	57.6	92.6	160.8	-123.2	-19.5	0	0	0	121.5	Q356	D354-Q356 PolarHBondContact O-N 3.01Å; D354-Q356 VanDerWaalsContact O-N 3.13Å
355	I	24.2	Very low	26.7	Very low	160 Å²	160	132.3 Å²	132.3	82%	0.821	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	-6.8	174.1	-67.4	172.7	0	0	0	112.5
356	Q	25.2	Very low	26	Very low	164 Å²	164	140 Å²	140	77%	0.766	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	-9.1	-176.8	-71.6	178.3	-16.4	0	0	115.2	D354	D354-Q356 PolarHBondContact O-N 3.01Å; D354-Q356 VanDerWaalsContact O-N 3.13Å
357	S	26.7	Very low	25.2	Very low	100 Å²	100	141.5 Å²	141.5	70%	0.699	72%	0.724	S	S	*	*	S	Bend	trans	-95	3.4	-174.2	-174.5	0	0	0	0	115.4
358	I	24.5	Very low	24.6	Very low	157 Å²	157	141.3 Å²	141.3	81%	0.805	73%	0.73	S	S	*	*			trans	-112.5	45	-177.5	-46.5	178.9	0	0	0	110
359	H	22.4	Very low	24.2	Very low	179 Å²	179	144.8 Å²	144.8	83%	0.829	75%	0.749	S	S	*	*			trans	-114.3	58.5	178.6	-126.7	-55.7	0	0	0	110.5
360	S	22.2	Very low	24	Very low	96 Å²	96	144.8 Å²	144.8	67%	0.671	75%	0.75	S	S	*	*			trans	-167.8	82.5	173	37	0	0	0	0	111.4
361	N	22.1	Very low	23.6	Very low	158 Å²	158	145.3 Å²	145.3	85%	0.845	75%	0.753	S	S	*	*	S	Bend	trans	165.4	91.6	140.5	-78.8	-13.4	0	0	0	109.3
362	E	22.9	Very low	23.6	Very low	187 Å²	187	144.8 Å²	144.8	87%	0.874	75%	0.747	S	S	*	*			trans	50	79.5	147.4	-60.1	-177.2	160.4	0	0	119.7
363	I	23.4	Very low	23.7	Very low	154 Å²	154	148.3 Å²	148.3	79%	0.79	75%	0.747	S	S	*	*			trans	-139.9	102.8	132.7	-58.9	-175.4	0	0	0	108	L365	I363-L365 HydrophobicContact CG2-CD1 4.43Å; I363-L365 HydrophobicContact CG2-CG 4.33Å; I363-L365 PolarHBondContact O-N 3.43Å; I363-L365 VanDerWaalsContact O-N 3.15Å
364	H	21.3	Very low	23.9	Very low	187 Å²	187	142.3 Å²	142.3	87%	0.866	73%	0.729	S	S	*	*			trans	-66.4	98.4	166	-102.8	-75.9	0	0	0	109.6
365	L	22.4	Very low	24.1	Very low	152 Å²	152	146.3 Å²	146.3	80%	0.796	74%	0.736	S	S	*	*			trans	-137.9	119.2	155.3	-75.8	175.1	0	0	0	109.4	I363	I363-L365 HydrophobicContact CG2-CD1 4.43Å; I363-L365 HydrophobicContact CG2-CG 4.33Å; I363-L365 PolarHBondContact O-N 3.43Å; I363-L365 VanDerWaalsContact O-N 3.15Å
366	K	21.2	Very low	24.3	Very low	190 Å²	190	143.5 Å²	143.5	83%	0.826	72%	0.722	S	S	*	*			trans	-67	157.4	-170.7	-71.6	174.6	174.9	176.7	0	112.1
367	S	21.6	Very low	24.5	Very low	94 Å²	94	138.6 Å²	138.6	66%	0.657	70%	0.701	S	S	*	*	S	Bend	trans	65.5	124.2	154.2	54.2	0	0	0	0	117.1
368	N	22.8	Very low	24.8	Very low	148 Å²	148	141.7 Å²	141.7	79%	0.791	70%	0.699	S	S	*	*	S	Bend	trans	18.2	116.6	131.2	-55.9	-13.7	0	0	0	114
369	D	23.2	Very low	25	Very low	145 Å²	145	139.1 Å²	139.1	78%	0.775	69%	0.685	S	S	*	*			trans	107.7	60.9	178.3	-52.4	-24	0	0	0	114.5
370	I	24.4	Very low	25.5	Very low	124 Å²	124	135.6 Å²	135.6	64%	0.636	67%	0.671	S	S	*	*			trans	-117.3	93.5	161.3	-58.7	-178.8	0	0	0	109.5	D374	I370-D374 HydrophobicContact CG2-CB 3.84Å; I370-D374 WeakPolarHBondContact CG2-OD2 3.37Å
371	N	24.6	Very low	26	Very low	118 Å²	118	139.6 Å²	139.6	63%	0.631	67%	0.672	S	S	*	*			trans	-59.9	158.9	-175.2	-74.3	-49.4	0	0	0	113.2	Y373 D374	N371-Y373 PolarHBondContact O-N 3.28Å; N371-D374 PolarHBondContact O-N 3.29Å
372	E	27.6	Very low	26.5	Very low	115 Å²	115	137.1 Å²	137.1	54%	0.537	65%	0.654	S	S	.	*	T	Hydrogen-bonded Turn	trans	-38.9	-18.1	163	-162	163.6	-156.6	0	0	114.5	K289 N376	K289-E372 WeakPolarHBondContact CE-OE1 3.36Å; K289-E372 VanDerWaalsContact CE-OE2 3.23Å; K289-E372 WeakPolarHBondContact CE-OE2 3.45Å; K289-E372 VanDerWaalsContact NZ-CD 3.25Å; K289-E372 IonicContact NZ-OE1 2.67Å; K289-E372 PolarHBondContact NZ-OE1 2.88Å; K289-E372 VanDerWaalsContact NZ-OE1 3.13Å; K289-E372 IonicContact NZ-OE2 2.81Å; K289-E372 PolarHBondContact NZ-OE2 2.92Å; E372-N376 PolarHBondContact O-N 3.47Å; E372-N376 PolarHBondContact O-ND2 3.03Å
373	Y	27.2	Very low	27	Very low	167 Å²	167	129.8 Å²	129.8	66%	0.655	62%	0.623	S	S	*	*	H	α-helix	trans	-58.6	-38.5	171.5	-153.8	-103.5	0	0	0	115.2	N371 N377	N371-Y373 PolarHBondContact O-N 3.28Å; Y373-N377 WeakPolarHBondContact CD1-ND2 3.46Å; Y373-N377 WeakPolarHBondContact CE1-ND2 3.17Å; Y373-N377 WeakPolarHBondContact O-CB 3.34Å; Y373-N377 PolarHBondContact O-N 3.02Å; Y373-N377 PolarHBondContact O-ND2 3.03Å
374	D	27.1	Very low	27.4	Very low	84 Å²	84	126.6 Å²	126.6	45%	0.449	61%	0.607	S	S	.	*	H	α-helix	trans	-81.9	-29.3	-175.9	-83.6	-9.6	0	0	0	113.7	I370 N371 Y378	I370-D374 HydrophobicContact CG2-CB 3.84Å; I370-D374 WeakPolarHBondContact CG2-OD2 3.37Å; N371-D374 PolarHBondContact O-N 3.29Å; D374-Y378 PolarHBondContact O-N 3.19Å; D374-Y378 VanDerWaalsContact O-N 3.08Å
375	R	28.5	Very low	27.9	Very low	193 Å²	193	122.3 Å²	122.3	73%	0.728	59%	0.59	S	S	*	*	H	α-helix	trans	-67.9	-40.8	168.2	-78.6	-174.9	-164	167.6	4.7	111.7	Y378 M379	R375-Y378 PolarHBondContact O-N 3.22Å; R375-M379 PolarHBondContact O-N 3.32Å; R375-M379 VanDerWaalsContact O-N 3.12Å
376	N	28.8	Very low	28.5	Very low	101 Å²	101	118.5 Å²	118.5	54%	0.54	57%	0.569	S	S	.	*	H	α-helix	trans	-67.5	-38	176.1	-75.9	-24.3	0	0	0	111.2	E372 Y378 M379 L380	E372-N376 PolarHBondContact O-N 3.47Å; E372-N376 PolarHBondContact O-ND2 3.03Å; N376-Y378 PolarHBondContact O-N 2.68Å; N376-M379 PolarHBondContact O-N 3.15Å; N376-L380 VanDerWaalsContact O-CB 3.27Å; N376-L380 WeakPolarHBondContact O-CB 3.41Å; N376-L380 PolarHBondContact O-N 3.04Å
377	N	30.4	Very low	29.1	Very low	61 Å²	61	113.6 Å²	113.6	33%	0.326	55%	0.552	S	S	.	*	H	α-helix	trans	-65.6	-34.8	173.8	-94.1	-37.6	0	0	0	113.7	Y373 R381	Y373-N377 WeakPolarHBondContact CD1-ND2 3.46Å; Y373-N377 WeakPolarHBondContact CE1-ND2 3.17Å; Y373-N377 WeakPolarHBondContact O-CB 3.34Å; Y373-N377 PolarHBondContact O-N 3.02Å; Y373-N377 PolarHBondContact O-ND2 3.03Å; N377-R381 VanDerWaalsContact O-CB 3.27Å; N377-R381 WeakPolarHBondContact O-CB 3.47Å; N377-R381 WeakPolarHBondContact O-CG 3.49Å; N377-R381 PolarHBondContact O-N 3.46Å
378	Y	31.4	Very low	29.7	Very low	165 Å²	165	113.2 Å²	113.2	65%	0.647	54%	0.543	S	S	*	.	H	α-helix	trans	-68.4	-43.3	174.9	-131.5	-91.8	0	0	0	111.4	D374 R375 N376 F382	D374-Y378 PolarHBondContact O-N 3.19Å; D374-Y378 VanDerWaalsContact O-N 3.08Å; R375-Y378 PolarHBondContact O-N 3.22Å; N376-Y378 PolarHBondContact O-N 2.68Å; Y378-F382 AromaticContact CD1-CD2 3.88Å; Y378-F382 HydrophobicContact CD1-CD2 3.88Å; Y378-F382 AromaticContact CD1-CE2 3.83Å; Y378-F382 HydrophobicContact CD1-CE2 3.83Å; Y378-F382 HydrophobicContact CE1-CD2 4.16Å; Y378-F382 AromaticContact CE1-CE2 3.61Å; Y378-F382 HydrophobicContact CE1-CE2 3.61Å; Y378-F382 WeakPolarHBondContact O-CB 3.35Å; Y378-F382 WeakPolarHBondContact O-CD2 3.41Å; Y378-F382 PolarHBondContact O-N 2.95Å
379	M	30.2	Very low	30.2	Very low	104 Å²	104	113 Å²	113	51%	0.512	54%	0.537	S	S	.	.	H	α-helix	trans	-66.1	-38.6	174.2	-75.6	-67.6	-144.1	0	0	112.7	R375 N376 F382 S383	R375-M379 PolarHBondContact O-N 3.32Å; R375-M379 VanDerWaalsContact O-N 3.12Å; N376-M379 PolarHBondContact O-N 3.15Å; M379-F382 PolarHBondContact O-N 2.97Å; M379-S383 PolarHBondContact O-N 2.78Å
380	L	32.9	Very low	30.6	Very low	104 Å²	104	109.5 Å²	109.5	55%	0.545	52%	0.517	S	S	.	.	H	α-helix	trans	-68.9	-42.9	176.5	-144.5	82.9	0	0	0	111.4	N376 F382 S383 I384	N376-L380 VanDerWaalsContact O-CB 3.27Å; N376-L380 WeakPolarHBondContact O-CB 3.41Å; N376-L380 PolarHBondContact O-N 3.04Å; L380-F382 VanDerWaalsContact C-N 3.32Å; L380-F382 PolarHBondContact O-N 3.36Å; L380-S383 PolarHBondContact O-N 3.41Å; L380-I384 WeakPolarHBondContact O-CD1 3.27Å; L380-I384 VanDerWaalsContact O-CG1 3.22Å; L380-I384 WeakPolarHBondContact O-CG1 3.47Å; L380-I384 PolarHBondContact O-N 2.89Å
381	R	32.1	Very low	30.9	Very low	181 Å²	181	105.8 Å²	105.8	68%	0.683	51%	0.505	S	S	*	.	H	α-helix	trans	-61.2	-39.8	173.4	-87.6	-177.3	170.9	-177.2	-1.4	111.9	N377 I384 L385	N377-R381 VanDerWaalsContact O-CB 3.27Å; N377-R381 WeakPolarHBondContact O-CB 3.47Å; N377-R381 WeakPolarHBondContact O-CG 3.49Å; N377-R381 PolarHBondContact O-N 3.46Å; R381-I384 PolarHBondContact O-N 3.36Å; R381-L385 VanDerWaalsContact O-CG 3.31Å; R381-L385 WeakPolarHBondContact O-CG 3.32Å; R381-L385 PolarHBondContact O-N 2.89Å
382	F	31.6	Very low	31.3	Very low	106 Å²	106	104.3 Å²	104.3	47%	0.465	50%	0.498	S	S	.	.	H	α-helix	trans	-71.5	-35.8	176.4	-96.2	-88.9	0	0	0	113	Y378 M379 L380 L385 I386	Y378-F382 AromaticContact CD1-CD2 3.88Å; Y378-F382 HydrophobicContact CD1-CD2 3.88Å; Y378-F382 AromaticContact CD1-CE2 3.83Å; Y378-F382 HydrophobicContact CD1-CE2 3.83Å; Y378-F382 HydrophobicContact CE1-CD2 4.16Å; Y378-F382 AromaticContact CE1-CE2 3.61Å; Y378-F382 HydrophobicContact CE1-CE2 3.61Å; Y378-F382 WeakPolarHBondContact O-CB 3.35Å; Y378-F382 WeakPolarHBondContact O-CD2 3.41Å; Y378-F382 PolarHBondContact O-N 2.95Å; M379-F382 PolarHBondContact O-N 2.97Å; L380-F382 VanDerWaalsContact C-N 3.32Å; L380-F382 PolarHBondContact O-N 3.36Å; F382-L385 PolarHBondContact O-N 3.25Å; F382-I386 VanDerWaalsContact O-CG1 3.31Å; F382-I386 WeakPolarHBondContact O-CG1 3.43Å; F382-I386 PolarHBondContact O-N 3.35Å
383	S	33.8	Very low	31.4	Very low	33 Å²	33	106.1 Å²	106.1	23%	0.231	50%	0.5	C	S	.	.	H	α-helix	trans	-61.1	-44.6	169.7	135	0	0	0	0	111.2	M379 L380 L385 I386 D387	M379-S383 PolarHBondContact O-N 2.78Å; L380-S383 PolarHBondContact O-N 3.41Å; S383-L385 VanDerWaalsContact C-N 3.33Å; S383-L385 PolarHBondContact O-N 3.16Å; S383-I386 PolarHBondContact O-N 3.38Å; S383-D387 WeakPolarHBondContact O-CB 3.19Å; S383-D387 VanDerWaalsContact O-CG 3.22Å; S383-D387 PolarHBondContact O-N 2.86Å
384	I	31.2	Very low	31.4	Very low	87 Å²	87	99.8 Å²	99.8	45%	0.446	49%	0.486	S	S	.	.	H	α-helix	trans	-63.4	-37.7	177.4	-68	163.2	0	0	0	111.5	L380 R381 N388	L380-I384 WeakPolarHBondContact O-CD1 3.27Å; L380-I384 VanDerWaalsContact O-CG1 3.22Å; L380-I384 WeakPolarHBondContact O-CG1 3.47Å; L380-I384 PolarHBondContact O-N 2.89Å; R381-I384 PolarHBondContact O-N 3.36Å; I384-N388 VanDerWaalsContact O-CB 3.23Å; I384-N388 WeakPolarHBondContact O-CB 3.35Å; I384-N388 PolarHBondContact O-N 3.2Å; I384-N388 PolarHBondContact O-ND2 3.04Å
385	L	33.3	Very low	31.5	Very low	96 Å²	96	102.2 Å²	102.2	50%	0.503	49%	0.492	S	S	.	.	H	α-helix	trans	-66.2	-43.4	175.5	-74.9	167.9	0	0	0	112.1	R381 F382 S383 N388 E389	R381-L385 VanDerWaalsContact O-CG 3.31Å; R381-L385 WeakPolarHBondContact O-CG 3.32Å; R381-L385 PolarHBondContact O-N 2.89Å; F382-L385 PolarHBondContact O-N 3.25Å; S383-L385 VanDerWaalsContact C-N 3.33Å; S383-L385 PolarHBondContact O-N 3.16Å; L385-N388 PolarHBondContact O-N 3.15Å; L385-E389 PolarHBondContact O-N 3.14Å
386	I	34.5	Very low	31.5	Very low	72 Å²	72	97.5 Å²	97.5	37%	0.369	48%	0.482	S	S	.	.	H	α-helix	trans	-65.5	-43.3	175.9	-67.8	170.7	0	0	0	110.6	F382 S383 N388 E389 I390	F382-I386 VanDerWaalsContact O-CG1 3.31Å; F382-I386 WeakPolarHBondContact O-CG1 3.43Å; F382-I386 PolarHBondContact O-N 3.35Å; S383-I386 PolarHBondContact O-N 3.38Å; I386-N388 VanDerWaalsContact C-N 3.32Å; I386-N388 PolarHBondContact O-N 3.02Å; I386-E389 PolarHBondContact O-N 3.32Å; I386-I390 HydrophobicContact CG2-CD1 3.73Å; I386-I390 HydrophobicContact CG2-CG1 4.44Å; I386-I390 WeakPolarHBondContact O-CB 3.23Å; I386-I390 WeakPolarHBondContact O-CD1 3.46Å; I386-I390 WeakPolarHBondContact O-CG1 3.27Å; I386-I390 PolarHBondContact O-N 2.75Å
387	D	34	Very low	31.3	Very low	88 Å²	88	96.5 Å²	96.5	47%	0.471	48%	0.475	S	S	.	.	H	α-helix	trans	-65	-35.8	177.2	-71.4	-32.5	0	0	0	111.9	S383 A391	S383-D387 WeakPolarHBondContact O-CB 3.19Å; S383-D387 VanDerWaalsContact O-CG 3.22Å; S383-D387 PolarHBondContact O-N 2.86Å; D387-A391 WeakPolarHBondContact O-CB 3.43Å; D387-A391 PolarHBondContact O-N 3.07Å
388	N	34.3	Very low	31.2	Very low	85 Å²	85	100 Å²	100	46%	0.455	49%	0.487	S	S	.	.	H	α-helix	trans	-70.9	-39.5	173.9	-79.6	-29.6	0	0	0	112.6	I384 L385 I386 A391 N392	I384-N388 VanDerWaalsContact O-CB 3.23Å; I384-N388 WeakPolarHBondContact O-CB 3.35Å; I384-N388 PolarHBondContact O-N 3.2Å; I384-N388 PolarHBondContact O-ND2 3.04Å; L385-N388 PolarHBondContact O-N 3.15Å; I386-N388 VanDerWaalsContact C-N 3.32Å; I386-N388 PolarHBondContact O-N 3.02Å; N388-A391 PolarHBondContact O-N 2.8Å; N388-N392 WeakPolarHBondContact O-CB 3.35Å; N388-N392 PolarHBondContact O-N 3.22Å; N388-N392 PolarHBondContact O-ND2 3.27Å
389	E	32.4	Very low	31.2	Very low	144 Å²	144	96 Å²	96	67%	0.673	48%	0.48	S	S	*	.	H	α-helix	trans	-64.3	-42.5	173	-80.5	-166.5	160.7	0	0	111.4	L385 I386 A391 N392 Y393	L385-E389 PolarHBondContact O-N 3.14Å; I386-E389 PolarHBondContact O-N 3.32Å; E389-A391 VanDerWaalsContact C-N 3.35Å; E389-A391 PolarHBondContact O-N 3.08Å; E389-N392 PolarHBondContact O-N 2.82Å; E389-Y393 WeakPolarHBondContact O-CB 2.99Å; E389-Y393 PolarHBondContact O-N 3.43Å
390	I	31.5	Very low	31.1	Very low	71 Å²	71	95.8 Å²	95.8	36%	0.364	48%	0.478	S	S	.	.	H	α-helix	trans	-62.2	-41.6	173.9	-68.2	166.6	0	0	0	110.9	I386 G394	I386-I390 HydrophobicContact CG2-CD1 3.73Å; I386-I390 HydrophobicContact CG2-CG1 4.44Å; I386-I390 WeakPolarHBondContact O-CB 3.23Å; I386-I390 WeakPolarHBondContact O-CD1 3.46Å; I386-I390 WeakPolarHBondContact O-CG1 3.27Å; I386-I390 PolarHBondContact O-N 2.75Å; I390-G394 PolarHBondContact O-N 3.42Å
391	A	31.6	Very low	30.8	Very low	46 Å²	46	92.7 Å²	92.7	38%	0.38	47%	0.467	S	S	.	.	H	α-helix	trans	-70.2	-35.5	178.9	0	0	0	0	0	113.3	D387 N388 E389 K395	D387-A391 WeakPolarHBondContact O-CB 3.43Å; D387-A391 PolarHBondContact O-N 3.07Å; N388-A391 PolarHBondContact O-N 2.8Å; E389-A391 VanDerWaalsContact C-N 3.35Å; E389-A391 PolarHBondContact O-N 3.08Å; A391-K395 WeakPolarHBondContact O-CG 3.5Å; A391-K395 PolarHBondContact O-N 3.11Å; A391-K395 VanDerWaalsContact O-N 3.16Å
392	N	33.9	Very low	30.7	Very low	88 Å²	88	87.9 Å²	87.9	47%	0.471	46%	0.458	S	S	.	.	H	α-helix	trans	-72	-46.3	176.6	-73.7	-19.3	0	0	0	111.1	N388 E389 G394 K395 D396	N388-N392 WeakPolarHBondContact O-CB 3.35Å; N388-N392 PolarHBondContact O-N 3.22Å; N388-N392 PolarHBondContact O-ND2 3.27Å; E389-N392 PolarHBondContact O-N 2.82Å; N392-G394 VanDerWaalsContact C-N 3.31Å; N392-G394 PolarHBondContact O-N 2.92Å; N392-K395 WeakPolarHBondContact O-CB 3.31Å; N392-K395 PolarHBondContact O-N 3.04Å; N392-K395 VanDerWaalsContact O-N 3.08Å; N392-D396 PolarHBondContact O-N 2.96Å
393	Y	28.6	Very low	30.5	Very low	152 Å²	152	87.7 Å²	87.7	60%	0.596	46%	0.461	S	S	*	.	H	α-helix	trans	-64.7	-35.6	176.2	-127.5	-95	0	0	0	112.3	E389 K395 D396 M397	E389-Y393 WeakPolarHBondContact O-CB 2.99Å; E389-Y393 PolarHBondContact O-N 3.43Å; Y393-K395 VanDerWaalsContact C-N 3.3Å; Y393-K395 PolarHBondContact O-N 3.46Å; Y393-D396 PolarHBondContact O-N 3.39Å; Y393-M397 WeakPolarHBondContact O-CG 3.45Å; Y393-M397 PolarHBondContact O-N 3.1Å
394	G	27.7	Very low	30.2	Very low	34 Å²	34	90.5 Å²	90.5	35%	0.351	47%	0.473	S	S	.	.	H	α-helix	trans	-70.7	-20.7	174.1	0	0	0	0	0	114.6	I390 N392 K398	I390-G394 PolarHBondContact O-N 3.42Å; N392-G394 VanDerWaalsContact C-N 3.31Å; N392-G394 PolarHBondContact O-N 2.92Å; G394-K398 WeakPolarHBondContact O-CG 3.21Å
395	K	29.1	Very low	30.1	Very low	135 Å²	135	90.4 Å²	90.4	59%	0.587	48%	0.477	S	S	*	.	H	α-helix	trans	-78.9	-46.6	168.5	-77.6	171.8	-176.8	172.6	0	110.2	A391 N392 Y393 M397 K398 T399	A391-K395 WeakPolarHBondContact O-CG 3.5Å; A391-K395 PolarHBondContact O-N 3.11Å; A391-K395 VanDerWaalsContact O-N 3.16Å; N392-K395 WeakPolarHBondContact O-CB 3.31Å; N392-K395 PolarHBondContact O-N 3.04Å; N392-K395 VanDerWaalsContact O-N 3.08Å; Y393-K395 VanDerWaalsContact C-N 3.3Å; Y393-K395 PolarHBondContact O-N 3.46Å; K395-M397 VanDerWaalsContact C-N 3.33Å; K395-M397 PolarHBondContact O-N 3.18Å; K395-K398 WeakPolarHBondContact O-CA 3.31Å; K395-K398 WeakPolarHBondContact O-CB 3.32Å; K395-K398 PolarHBondContact O-N 3.33Å; K395-T399 PolarHBondContact O-N 3.28Å; K395-T399 PolarHBondContact O-OG1 3.33Å
396	D	27.8	Very low	30	Very low	95 Å²	95	91.9 Å²	91.9	51%	0.508	48%	0.481	S	S	.	.	H	α-helix	trans	-59.1	-40.7	178.5	-69	-25.5	0	0	0	112.5	N392 Y393 K398 T399 E400	N392-D396 PolarHBondContact O-N 2.96Å; Y393-D396 PolarHBondContact O-N 3.39Å; D396-K398 VanDerWaalsContact C-N 3.31Å; D396-K398 PolarHBondContact O-N 3.13Å; D396-T399 WeakPolarHBondContact CA-OG1 3.5Å; D396-T399 PolarHBondContact O-N 2.96Å; D396-T399 PolarHBondContact O-OG1 3.31Å; D396-E400 VanDerWaalsContact O-CB 3.26Å; D396-E400 WeakPolarHBondContact O-CB 3.27Å; D396-E400 PolarHBondContact O-N 3.39Å
397	M	25.7	Very low	29.7	Very low	80 Å²	80	94.9 Å²	94.9	39%	0.394	49%	0.493	S	S	.	.	H	α-helix	trans	-66.1	-29.6	173.9	-70.8	-161.2	82.6	0	0	113.6	Y393 K395 A401	Y393-M397 WeakPolarHBondContact O-CG 3.45Å; Y393-M397 PolarHBondContact O-N 3.1Å; K395-M397 VanDerWaalsContact C-N 3.33Å; K395-M397 PolarHBondContact O-N 3.18Å; M397-A401 WeakPolarHBondContact O-CB 3.4Å; M397-A401 PolarHBondContact O-N 3.32Å
398	K	28	Very low	29.4	Very low	134 Å²	134	96 Å²	96	58%	0.583	50%	0.499	S	S	*	.	H	α-helix	trans	-75.5	-37.7	174.8	-77	176.1	-177.6	170.9	0	111.4	G394 K395 D396 V402	G394-K398 WeakPolarHBondContact O-CG 3.21Å; K395-K398 WeakPolarHBondContact O-CA 3.31Å; K395-K398 WeakPolarHBondContact O-CB 3.32Å; K395-K398 PolarHBondContact O-N 3.33Å; D396-K398 VanDerWaalsContact C-N 3.31Å; D396-K398 PolarHBondContact O-N 3.13Å; K398-V402 WeakPolarHBondContact O-CB 3.41Å; K398-V402 WeakPolarHBondContact O-CG2 3.47Å; K398-V402 PolarHBondContact O-N 3.04Å
399	T	31.1	Very low	29.1	Very low	80 Å²	80	100.2 Å²	100.2	49%	0.491	52%	0.516	S	S	.	.	H	α-helix	trans	-66.9	-42.9	172.9	4.7	0	0	0	0	111	K395 D396 V402 L403	K395-T399 PolarHBondContact O-N 3.28Å; K395-T399 PolarHBondContact O-OG1 3.33Å; D396-T399 WeakPolarHBondContact CA-OG1 3.5Å; D396-T399 PolarHBondContact O-N 2.96Å; D396-T399 PolarHBondContact O-OG1 3.31Å; T399-V402 PolarHBondContact O-N 3.07Å; T399-L403 WeakPolarHBondContact O-CB 3.41Å; T399-L403 VanDerWaalsContact O-CG 3.24Å; T399-L403 WeakPolarHBondContact O-CG 3.44Å; T399-L403 PolarHBondContact O-N 3.32Å
400	E	28.1	Very low	28.9	Very low	100 Å²	100	102 Å²	102	47%	0.467	52%	0.521	S	S	.	.	H	α-helix	trans	-69.3	-37.3	178.5	-155.3	174.7	-168.5	0	0	111.7	D396 L403 L404	D396-E400 VanDerWaalsContact O-CB 3.26Å; D396-E400 WeakPolarHBondContact O-CB 3.27Å; D396-E400 PolarHBondContact O-N 3.39Å; E400-L403 PolarHBondContact O-N 3.31Å; E400-L404 HydrophobicContact CG-CD1 4.26Å; E400-L404 WeakPolarHBondContact O-CB 3.49Å; E400-L404 WeakPolarHBondContact O-CD1 3.28Å; E400-L404 WeakPolarHBondContact O-CG 3.43Å; E400-L404 PolarHBondContact O-N 3.37Å
401	A	27.1	Very low	28.7	Very low	40 Å²	40	104.6 Å²	104.6	33%	0.331	53%	0.534	S	S	.	.	H	α-helix	trans	-68.3	-33.2	172.2	0	0	0	0	0	113.5	M397 T405	M397-A401 WeakPolarHBondContact O-CB 3.4Å; M397-A401 PolarHBondContact O-N 3.32Å; A401-T405 WeakPolarHBondContact O-CB 3.38Å; A401-T405 WeakPolarHBondContact O-CG2 3.26Å; A401-T405 PolarHBondContact O-N 3.47Å; A401-T405 PolarHBondContact O-OG1 3.32Å
402	V	29.2	Very low	28.4	Very low	80 Å²	80	110 Å²	110	49%	0.485	56%	0.557	S	S	.	*	H	α-helix	trans	-71.2	-37.3	173.4	168.9	0	0	0	0	111.2	K398 T399 T405 Q406	K398-V402 WeakPolarHBondContact O-CB 3.41Å; K398-V402 WeakPolarHBondContact O-CG2 3.47Å; K398-V402 PolarHBondContact O-N 3.04Å; T399-V402 PolarHBondContact O-N 3.07Å; V402-T405 WeakPolarHBondContact CA-OG1 3.45Å; V402-T405 PolarHBondContact O-OG1 3.32Å; V402-Q406 WeakPolarHBondContact O-CG 3.43Å; V402-Q406 PolarHBondContact O-N 3.13Å; V402-Q406 VanDerWaalsContact O-N 3.17Å
403	L	27.2	Very low	27.9	Very low	102 Å²	102	113.2 Å²	113.2	53%	0.534	57%	0.574	S	S	.	*	H	α-helix	trans	-70.3	-37	175.1	-70.9	166.4	0	0	0	112.2	T399 E400 H407	T399-L403 WeakPolarHBondContact O-CB 3.41Å; T399-L403 VanDerWaalsContact O-CG 3.24Å; T399-L403 WeakPolarHBondContact O-CG 3.44Å; T399-L403 PolarHBondContact O-N 3.32Å; E400-L403 PolarHBondContact O-N 3.31Å; L403-H407 PolarHBondContact O-N 2.71Å; L403-H407 VanDerWaalsContact O-N 3.13Å
404	L	28.6	Very low	27.8	Very low	92 Å²	92	112.5 Å²	112.5	48%	0.482	59%	0.585	S	S	.	*	H	α-helix	trans	-73.5	-32.5	176.8	-73.6	164.2	0	0	0	113	E400 H407 N408	E400-L404 HydrophobicContact CG-CD1 4.26Å; E400-L404 WeakPolarHBondContact O-CB 3.49Å; E400-L404 WeakPolarHBondContact O-CD1 3.28Å; E400-L404 WeakPolarHBondContact O-CG 3.43Å; E400-L404 PolarHBondContact O-N 3.37Å; L404-H407 PolarHBondContact O-N 3.12Å; L404-N408 WeakPolarHBondContact O-CB 3.43Å; L404-N408 PolarHBondContact O-N 3.35Å; L404-N408 VanDerWaalsContact O-N 3.14Å; L404-N408 PolarHBondContact O-ND2 2.79Å
405	T	28.5	Very low	27.5	Very low	84 Å²	84	117.8 Å²	117.8	52%	0.515	60%	0.601	S	S	.	*	H	α-helix	trans	-75.3	-25.7	173.8	44.1	0	0	0	0	113.2	A401 V402 H409	A401-T405 WeakPolarHBondContact O-CB 3.38Å; A401-T405 WeakPolarHBondContact O-CG2 3.26Å; A401-T405 PolarHBondContact O-N 3.47Å; A401-T405 PolarHBondContact O-OG1 3.32Å; V402-T405 WeakPolarHBondContact CA-OG1 3.45Å; V402-T405 PolarHBondContact O-OG1 3.32Å; T405-H409 PolarHBondContact O-CD2 3.23Å
406	Q	30.6	Very low	27.2	Very low	128 Å²	128	121.6 Å²	121.6	60%	0.598	62%	0.618	S	S	*	*	H	α-helix	trans	-77.2	-29.9	170.4	-73.9	176.4	-11.9	0	0	113	V402	V402-Q406 WeakPolarHBondContact O-CG 3.43Å; V402-Q406 PolarHBondContact O-N 3.13Å; V402-Q406 VanDerWaalsContact O-N 3.17Å
407	H	27.7	Very low	26.9	Very low	135 Å²	135	126.9 Å²	126.9	63%	0.625	63%	0.631	S	S	*	*	H	α-helix	trans	-80	-27.8	177.5	-109.5	-81.7	0	0	0	114.1	L403 L404 H409	L403-H407 PolarHBondContact O-N 2.71Å; L403-H407 VanDerWaalsContact O-N 3.13Å; L404-H407 PolarHBondContact O-N 3.12Å; H407-H409 VanDerWaalsContact C-N 3.3Å; H407-H409 PolarHBondContact O-N 3.05Å
408	N	28.3	Very low	26.9	Very low	111 Å²	111	132.6 Å²	132.6	59%	0.594	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	-8.1	179.6	-77.6	-12.8	0	0	0	114.6	L404 K410	L404-N408 WeakPolarHBondContact O-CB 3.43Å; L404-N408 PolarHBondContact O-N 3.35Å; L404-N408 VanDerWaalsContact O-N 3.14Å; L404-N408 PolarHBondContact O-ND2 2.79Å; N408-K410 VanDerWaalsContact C-N 3.33Å
409	H	28.5	Very low	26.6	Very low	173 Å²	173	132 Å²	132	80%	0.801	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	7	176.1	-91.8	-68.5	0	0	0	114.5	T405 H407	T405-H409 PolarHBondContact O-CD2 3.23Å; H407-H409 VanDerWaalsContact C-N 3.3Å; H407-H409 PolarHBondContact O-N 3.05Å
410	K	28.5	Very low	26.3	Very low	181 Å²	181	136.5 Å²	136.5	79%	0.787	68%	0.682	S	S	*	*	S	Bend	trans	-124	-2.5	-174.8	-80.8	-175.2	175	-179.2	0	116.8	N408	N408-K410 VanDerWaalsContact C-N 3.33Å
411	I	27.4	Very low	26.1	Very low	126 Å²	126	135.3 Å²	135.3	65%	0.646	69%	0.689	S	S	*	*	S	Bend	trans	-129.9	-8.4	-168.1	-60.6	-176.3	0	0	0	116.5	N413	I411-N413 PolarHBondContact O-N 2.98Å
412	D	25.2	Very low	26	Very low	160 Å²	160	140.8 Å²	140.8	86%	0.856	71%	0.713	S	S	*	*			trans	-99.9	63.2	171.2	-70.2	-18.1	0	0	0	111.5
413	N	22.3	Very low	25.9	Very low	156 Å²	156	142.1 Å²	142.1	83%	0.834	73%	0.726	S	S	*	*			trans	-128.8	56.5	170.3	-115.2	-3.7	0	0	0	108.3	I411	I411-N413 PolarHBondContact O-N 2.98Å
414	V	26.4	Very low	25.8	Very low	136 Å²	136	144.8 Å²	144.8	82%	0.824	74%	0.74	S	S	*	*			trans	-145.2	119.4	166.9	-174.4	0	0	0	0	109.5
415	E	21.3	Very low	25.6	Very low	145 Å²	145	146.4 Å²	146.4	68%	0.678	76%	0.756	S	S	*	*			trans	-58.8	147.6	-176.2	-60.8	170.7	119.1	0	0	114.4
416	F	23.5	Very low	25.4	Very low	216 Å²	216	151.8 Å²	151.8	95%	0.947	78%	0.778	S	S	*	*			trans	-147.3	96.5	130.6	-95.3	-72.7	0	0	0	110.1
417	R	21	Very low	25.1	Very low	205 Å²	205	152.6 Å²	152.6	77%	0.774	79%	0.787	S	S	*	*			trans	-72.6	136.3	162.9	-77.1	173.6	170	169.8	-3.9	110
418	K	25.6	Very low	25	Very low	201 Å²	201	154.1 Å²	154.1	87%	0.874	80%	0.799	S	S	*	*			trans	-172.2	91.2	138	-102.2	169.7	-173.6	-177.2	0	108.3
419	V	22.8	Very low	24.7	Very low	122 Å²	122	152.9 Å²	152.9	74%	0.739	80%	0.798	S	S	*	*				72.3	98.3	100.3	178.4	0	0	0	0	112
420	N	25.4	Very low	24.5	Very low	174 Å²	174	151.8 Å²	151.8	93%	0.93	80%	0.798	S	S	*	*			trans	-130.7	98	138.7	-95.6	-12.1	0	0	0	105.9
421	A	22.8	Very low	24.3	Very low	75 Å²	75	148 Å²	148	62%	0.62	80%	0.795	S	S	*	*			trans	-77.2	127.9	169.6	0	0	0	0	0	108.4
422	N	25.1	Very low	24.3	Very low	154 Å²	154	147.4 Å²	147.4	82%	0.824	80%	0.802	S	S	*	*				165.9	138.7	129.1	-78.1	-14.5	0	0	0	109.9
423	S	26.8	Very low	24.2	Very low	108 Å²	108	149.2 Å²	149.2	76%	0.755	80%	0.802	S	S	*	*			trans	81.7	80.5	173.2	71.1	0	0	0	0	118.9
424	D	26.1	Very low	24.3	Very low	158 Å²	158	149.1 Å²	149.1	85%	0.845	80%	0.8	S	S	*	*				59.2	120.8	122	-52.9	-24.5	0	0	0	122.4
425	P	23.3	Very low	24.2	Very low	126 Å²	126	149.8 Å²	149.8	82%	0.818	80%	0.799	S	S	*	*			trans	-101.2	148.9	170	37.2	-27.5	0	0	0	112.4
426	M	25.4	Very low	24.2	Very low	197 Å²	197	148.4 Å²	148.4	97%	0.97	80%	0.801	S	S	*	*			trans	-122.7	119.4	159.7	-117.8	-163	-175	0	0	110.7
427	D	23.1	Very low	24.2	Very low	145 Å²	145	146 Å²	146	78%	0.775	79%	0.792	S	S	*	*			trans	-64.6	157.7	170.6	-115.9	-35.1	0	0	0	112
428	L	25.8	Very low	24.3	Very low	168 Å²	168	141.9 Å²	141.9	88%	0.88	79%	0.786	S	S	*	*				-174.7	118.2	122.8	-94.5	163.1	0	0	0	111.6
429	S	21.9	Very low	24.3	Very low	84 Å²	84	141.9 Å²	141.9	59%	0.587	78%	0.782	S	S	*	*			trans	-54.3	153.4	169.1	50.1	0	0	0	0	116.9
430	N	25.5	Very low	24.3	Very low	150 Å²	150	140.2 Å²	140.2	80%	0.802	78%	0.775	S	S	*	*			trans	172.6	104.1	137	-87.7	-15.1	0	0	0	107.7
431	S	22.5	Very low	24.4	Very low	101 Å²	101	139.5 Å²	139.5	71%	0.706	77%	0.766	S	S	*	*				67.1	105.1	58.8	84.8	0	0	0	0	116.3
432	S	27.5	Very low	24.4	Very low	114 Å²	114	142.6 Å²	142.6	80%	0.797	77%	0.771	S	S	*	*			trans	169.8	99.2	141.7	51.8	0	0	0	0	109.4
433	K	23.6	Very low	24.7	Very low	198 Å²	198	140.3 Å²	140.3	86%	0.861	76%	0.764	S	S	*	*				43.6	122.1	93.5	-72	-176.3	178.9	176	0	114.4
434	I	24.1	Very low	24.6	Very low	155 Å²	155	142.5 Å²	142.5	80%	0.795	77%	0.766	S	S	*	*				170.4	129.3	117.4	-83	156.5	0	0	0	113.2
435	N	24.1	Very low	24.5	Very low	150 Å²	150	139 Å²	139	80%	0.802	76%	0.759	S	S	*	*			trans	64.6	120.8	149.6	-72.8	-8.1	0	0	0	126.7
436	T	22	Very low	24.8	Very low	116 Å²	116	141.5 Å²	141.5	71%	0.712	77%	0.765	S	S	*	*			trans	-62.5	149	148.2	46.7	0	0	0	0	114.1
437	Q	23.5	Very low	24.8	Very low	164 Å²	164	142.1 Å²	142.1	77%	0.766	76%	0.763	S	S	*	*				145.6	119.7	129.1	-83.9	-175.2	-11.2	0	0	111
438	N	23.6	Very low	24.9	Very low	120 Å²	120	139 Å²	139	64%	0.642	77%	0.765	S	S	*	*				150.1	144.9	115.6	-81.9	-31.7	0	0	0	116.7
439	Y	25.3	Very low	24.8	Very low	201 Å²	201	139.5 Å²	139.5	79%	0.788	76%	0.76	S	S	*	*			trans	98.3	105.2	152.8	-64.1	-64.1	0	0	0	121.9
440	S	22.4	Very low	24.9	Very low	86 Å²	86	143.7 Å²	143.7	60%	0.601	77%	0.774	S	S	*	*			trans	-69.7	164.5	162.3	45.7	0	0	0	0	114.8
441	H	27.6	Very low	24.7	Very low	160 Å²	160	143.2 Å²	143.2	74%	0.741	77%	0.767	S	S	*	*			trans	148.7	141.7	135.1	-79.4	-65.1	0	0	0	110.3
442	I	24	Very low	24.9	Very low	140 Å²	140	147.8 Å²	147.8	72%	0.718	78%	0.778	S	S	*	*			cis	-174.1	163.9	-20.9	-107	177.7	0	0	0	105.2
443	P	31.3	Very low	24.6	Very low	105 Å²	105	150.9 Å²	150.9	68%	0.682	78%	0.777	S	S	*	*			trans	-110.5	-157.7	-162.6	38.1	-22	0	0	0	114.8
444	I	23.8	Very low	24.6	Very low	154 Å²	154	153.4 Å²	153.4	79%	0.79	78%	0.781	S	S	*	*			trans	123	106	160.6	-62.4	158.3	0	0	0	112
445	A	23.9	Very low	24.5	Very low	85 Å²	85	152.2 Å²	152.2	70%	0.702	78%	0.776	S	S	*	*				92.5	123.1	77.7	0	0	0	0	0	114.5
446	N	29.1	Very low	24.4	Very low	178 Å²	178	153.1 Å²	153.1	95%	0.952	77%	0.773	S	S	*	*			trans	-154.6	123.6	141.1	-109.9	-15.3	0	0	0	111.4
447	K	25.5	Very low	24.4	Very low	210 Å²	210	153.8 Å²	153.8	91%	0.913	77%	0.772	S	S	*	*			trans	-86.4	142.8	174.5	-76.2	173	172.9	172.7	0	109.1
448	G	26	Very low	24.4	Very low	81 Å²	81	153.3 Å²	153.3	84%	0.835	78%	0.775	S	S	*	*			trans	-151.8	102.3	161.1	0	0	0	0	0	108.8
449	K	23.3	Very low	24.5	Very low	178 Å²	178	154.8 Å²	154.8	77%	0.774	78%	0.783	S	S	*	*			trans	-69.2	142	172.5	-70.1	175.8	170	-171.4	0	109.4
450	I	24.9	Very low	24.4	Very low	172 Å²	172	150.9 Å²	150.9	88%	0.882	78%	0.782	S	S	*	*				-145.4	120.7	129.2	-87.2	147	0	0	0	105.9
451	E	21.5	Very low	24.5	Very low	139 Å²	139	153.5 Å²	153.5	65%	0.65	79%	0.788	S	S	*	*			trans	-77.4	139.4	172.5	-64.3	168.4	177.9	0	0	108.5
452	E	25.1	Very low	24.2	Very low	198 Å²	198	155.3 Å²	155.3	93%	0.925	79%	0.793	S	S	*	*			trans	-153.1	120.7	136.3	-116.2	175.3	-160.5	0	0	111
453	K	22.1	Very low	24.1	Very low	179 Å²	179	153.8 Å²	153.8	78%	0.778	80%	0.796	S	S	*	*			trans	-75.2	142.8	178.1	-62.9	164.3	177.3	169.8	0	108.8
454	R	23	Very low	23.7	Very low	251 Å²	251	157.8 Å²	157.8	95%	0.947	80%	0.803	S	S	*	*				-168	117.6	127.3	-103.2	167.8	-134.7	-169.2	5	111.6
455	N	22.5	Very low	23.6	Very low	129 Å²	129	157.7 Å²	157.7	69%	0.69	81%	0.809	S	S	*	*			trans	-55.1	155.4	167.2	-69.4	-22.5	0	0	0	112.6
456	F	22.8	Very low	23.5	Very low	169 Å²	169	158.2 Å²	158.2	74%	0.741	81%	0.807	S	S	*	*				148.6	120.2	110.3	-86.5	-71.4	0	0	0	109.7
457	N	22.3	Very low	23.2	Very low	130 Å²	130	155.3 Å²	155.3	70%	0.695	80%	0.796	S	S	*	*			trans	32.2	120.6	142.4	-57.4	-12.3	0	0	0	118
458	N	23.5	Very low	23.2	Very low	155 Å²	155	152 Å²	152	83%	0.829	79%	0.788	S	S	*	*				167.5	119.3	115.9	-79.6	-23	0	0	0	110.3
459	D	25	Very low	23	Very low	151 Å²	151	155.7 Å²	155.7	81%	0.807	78%	0.781	S	S	*	*			trans	-55.2	153.4	152.2	-80.1	-43.4	0	0	0	109.5
460	P	22.8	Very low	23.1	Very low	119 Å²	119	155.7 Å²	155.7	77%	0.773	78%	0.784	S	S	*	*				-143.1	123.7	111.2	26.9	-7.3	0	0	0	114.6
461	I	25	Very low	23.1	Very low	140 Å²	140	154.4 Å²	154.4	72%	0.718	78%	0.778	S	S	*	*			trans	-41.7	142.8	137.1	-68.6	165.2	0	0	0	110.5
462	K	22	Very low	23.2	Very low	198 Å²	198	155 Å²	155	86%	0.861	79%	0.785	S	S	*	*			trans	74.2	98.1	168.2	-73	162.4	176.1	-179.1	0	117.5
463	S	21.8	Very low	23.2	Very low	109 Å²	109	155.7 Å²	155.7	76%	0.762	78%	0.784	S	S	*	*			trans	-165.8	158.4	137.5	62.3	0	0	0	0	110
464	F	22.9	Very low	23.3	Very low	189 Å²	189	151.3 Å²	151.3	83%	0.829	78%	0.776	S	S	*	*			trans	84.1	57.2	179.6	-75.1	-90	0	0	0	118.4
465	V	21	Very low	23.4	Very low	152 Å²	152	146 Å²	146	92%	0.921	77%	0.766	S	S	*	*			trans	-110.3	120	135.1	172.2	0	0	0	0	106.6
466	S	22.6	Very low	23.5	Very low	95 Å²	95	147.5 Å²	147.5	66%	0.664	77%	0.773	S	S	*	*			trans	144.9	145.5	153.3	-161.5	0	0	0	0	110
467	T	22.7	Very low	23.6	Very low	118 Å²	118	149.2 Å²	149.2	72%	0.724	78%	0.78	S	S	*	*			trans	71.8	113.5	-172.9	66.4	0	0	0	0	112.7
468	D	24.7	Very low	23.8	Very low	139 Å²	139	147.6 Å²	147.6	74%	0.743	78%	0.779	S	S	*	*			cis	-145	126.4	36.1	-78.5	-43.2	0	0	0	111.8
469	K	22.2	Very low	23.9	Very low	160 Å²	160	144.9 Å²	144.9	70%	0.696	77%	0.772	S	S	*	*	S	Bend	trans	-114.1	14.6	-179.7	-134.2	176.9	-171.9	173.4	0	112.6
470	E	24.4	Very low	23.9	Very low	177 Å²	177	144.1 Å²	144.1	83%	0.827	77%	0.768	S	S	*	*	S	Bend	trans	-129.6	-1.2	-165.9	-80.4	-81	132.6	0	0	115.6
471	L	24.7	Very low	23.9	Very low	146 Å²	146	142.8 Å²	142.8	76%	0.764	76%	0.758	S	S	*	*	S	Bend	trans	-119.6	136.7	-179.4	-80.1	149.1	0	0	0	111.2
472	I	25.2	Very low	23.8	Very low	152 Å²	152	141.6 Å²	141.6	78%	0.779	75%	0.75	S	S	*	*			trans	88.7	58.3	179.1	-40.1	163.6	0	0	0	114.2
473	K	24	Very low	24	Very low	211 Å²	211	135.8 Å²	135.8	92%	0.917	73%	0.732	S	S	*	*			trans	-98.9	14.6	163.3	-121.3	177	-173.3	173.1	0	113.1
474	S	25	Very low	24.2	Very low	87 Å²	87	136.9 Å²	136.9	61%	0.608	72%	0.723	S	S	*	*	S	Bend	trans	-110.1	-24.3	-165.8	53.4	0	0	0	0	118.8
475	D	25.5	Very low	24.2	Very low	139 Å²	139	132.7 Å²	132.7	74%	0.743	71%	0.707	S	S	*	*			trans	-121.7	32.1	-163.8	-64.6	-60.3	0	0	0	116.8	K477	D475-K477 PolarHBondContact O-N 3.42Å; D475-K477 VanDerWaalsContact O-N 3.11Å
476	I	23.4	Very low	24.4	Very low	162 Å²	162	131.3 Å²	131.3	83%	0.831	69%	0.689	S	S	*	*			trans	-85.6	76.6	175.4	-52.2	175.2	0	0	0	110.3
477	K	24.9	Very low	24.5	Very low	205 Å²	205	132 Å²	132	89%	0.891	69%	0.685	S	S	*	*			trans	-143.2	71.5	166.7	-86.6	-173.9	179.2	173.6	0	112.3	D475	D475-K477 PolarHBondContact O-N 3.42Å; D475-K477 VanDerWaalsContact O-N 3.11Å
478	S	25.8	Very low	24.7	Very low	95 Å²	95	131 Å²	131	66%	0.664	68%	0.676	S	S	*	*			trans	-160.4	119.4	143.7	65	0	0	0	0	110.7
479	S	25.5	Very low	24.8	Very low	98 Å²	98	129.5 Å²	129.5	69%	0.685	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	4.6	-149.4	-177.4	0	0	0	0	116.6	T483	S479-T483 PolarHBondContact O-OG1 3.06Å; S479-T483 VanDerWaalsContact O-OG1 3.12Å
480	N	24.9	Very low	25.1	Very low	135 Å²	135	129.2 Å²	129.2	72%	0.722	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.3	-23.5	-168.4	-71.8	-22.9	0	0	0	115.7
481	T	24.5	Very low	25.3	Very low	91 Å²	91	125.9 Å²	125.9	56%	0.558	65%	0.65	S	S	*	*	H	α-helix	trans	-84.3	-37.4	-178	24.6	0	0	0	0	112.9	F484 M485	T481-F484 PolarHBondContact O-N 2.96Å; T481-M485 PolarHBondContact O-N 3.38Å
482	M	22.4	Very low	25.5	Very low	115 Å²	115	123.2 Å²	123.2	57%	0.567	64%	0.637	S	S	*	*	H	α-helix	trans	-71.9	-28.3	176	-88.2	-69.2	-84.9	0	0	113.5	F484 M485 K486	M482-F484 VanDerWaalsContact C-N 3.32Å; M482-M485 PolarHBondContact O-N 3.5Å; M482-K486 WeakPolarHBondContact O-CB 3.42Å; M482-K486 PolarHBondContact O-N 3.14Å
483	T	26.9	Very low	25.6	Very low	76 Å²	76	122.9 Å²	122.9	47%	0.466	63%	0.632	S	S	.	*	H	α-helix	trans	-71.6	-29.4	175.7	-29.7	0	0	0	0	111.6	S479 N487	S479-T483 PolarHBondContact O-OG1 3.06Å; S479-T483 VanDerWaalsContact O-OG1 3.12Å; T483-N487 WeakPolarHBondContact O-CB 3.04Å; T483-N487 VanDerWaalsContact O-CG 3.24Å; T483-N487 PolarHBondContact O-ND2 3.39Å
484	F	25	Very low	25.8	Very low	133 Å²	133	118.2 Å²	118.2	58%	0.583	61%	0.612	S	S	*	*	H	α-helix	trans	-78.2	-33.4	175.5	-161.1	-94.7	0	0	0	112.4	T481 M482 N488	T481-F484 PolarHBondContact O-N 2.96Å; M482-F484 VanDerWaalsContact C-N 3.32Å; F484-N488 PolarHBondContact O-ND2 2.96Å
485	M	23.2	Very low	26.2	Very low	100 Å²	100	120.5 Å²	120.5	49%	0.493	61%	0.613	S	S	.	*	H	α-helix	trans	-80.8	-38.1	176.7	-68	-154.3	-91.7	0	0	113.2	T481 M482 N487 N488 L489	T481-M485 PolarHBondContact O-N 3.38Å; M482-M485 PolarHBondContact O-N 3.5Å; M485-N487 VanDerWaalsContact C-N 3.26Å; M485-N487 PolarHBondContact O-N 3.47Å; M485-N488 PolarHBondContact O-N 2.95Å; M485-L489 HydrophobicContact CB-CD1 4.37Å; M485-L489 PolarHBondContact O-N 2.98Å
486	K	24.1	Very low	26.6	Very low	123 Å²	123	120.2 Å²	120.2	54%	0.535	60%	0.602	S	S	.	*	H	α-helix	trans	-62.8	-29	173.3	-98.8	-178.8	169.3	174.8	0	113.6	M482 Y490	M482-K486 WeakPolarHBondContact O-CB 3.42Å; M482-K486 PolarHBondContact O-N 3.14Å; K486-Y490 HydrophobicContact CG-CE2 4.23Å; K486-Y490 WeakPolarHBondContact O-CD2 3.42Å
487	N	26.3	Very low	27	Very low	111 Å²	111	117.3 Å²	117.3	59%	0.594	59%	0.588	S	S	*	*	H	α-helix	trans	-86	-14.7	-178.5	-71.7	-23.4	0	0	0	113.9	T483 M485	T483-N487 WeakPolarHBondContact O-CB 3.04Å; T483-N487 VanDerWaalsContact O-CG 3.24Å; T483-N487 PolarHBondContact O-ND2 3.39Å; M485-N487 VanDerWaalsContact C-N 3.26Å; M485-N487 PolarHBondContact O-N 3.47Å
488	N	25.6	Very low	27.6	Very low	97 Å²	97	109.7 Å²	109.7	52%	0.519	55%	0.554	S	S	.	*	H	α-helix	trans	-108.5	-17.8	-177.8	-75.2	-51.4	0	0	0	113.8	F484 M485	F484-N488 PolarHBondContact O-ND2 2.96Å; M485-N488 PolarHBondContact O-N 2.95Å
489	L	28.3	Very low	28	Very low	107 Å²	107	107.1 Å²	107.1	56%	0.56	54%	0.543	S	S	*	.	H	α-helix	trans	-88.2	-23.1	177.5	-80.7	154.9	0	0	0	113.6	M485 D491	M485-L489 HydrophobicContact CB-CD1 4.37Å; M485-L489 PolarHBondContact O-N 2.98Å; L489-D491 PolarHBondContact O-N 3.47Å
490	Y	27.7	Very low	28.4	Very low	154 Å²	154	106.4 Å²	106.4	60%	0.604	53%	0.53	S	S	*	.	H	α-helix	trans	-78.8	-12.1	-175.3	-89.8	-98.4	0	0	0	115.2	K486 F494	K486-Y490 HydrophobicContact CG-CE2 4.23Å; K486-Y490 WeakPolarHBondContact O-CD2 3.42Å; Y490-F494 VanDerWaalsContact O-CB 3.31Å; Y490-F494 WeakPolarHBondContact O-CB 3.26Å
491	D	29.2	Very low	28.9	Very low	107 Å²	107	103.9 Å²	103.9	57%	0.572	52%	0.519	S	S	*	.	H	α-helix	trans	-88.2	-24.7	-175.8	-86	-17.3	0	0	0	114	L489 Q495	L489-D491 PolarHBondContact O-N 3.47Å; D491-Q495 WeakPolarHBondContact O-CG 3.24Å; D491-Q495 PolarHBondContact O-N 2.83Å
492	N	27.7	Very low	29.4	Very low	90 Å²	90	101.7 Å²	101.7	48%	0.481	50%	0.504	S	S	.	.	H	α-helix	trans	-89.3	-39.8	-174.3	-71.1	-12.7	0	0	0	113	F494 Y496	N492-F494 VanDerWaalsContact C-N 3.33Å; N492-Y496 PolarHBondContact O-N 3.31Å
493	E	27.4	Very low	30.2	Very low	145 Å²	145	100.5 Å²	100.5	68%	0.678	50%	0.5	S	S	*	.	H	α-helix	trans	-69.5	-31.9	173.3	-72.8	-176.1	156.5	0	0	111.9	Y496 L497	E493-Y496 PolarHBondContact O-N 3.22Å; E493-L497 WeakPolarHBondContact O-CB 3.47Å; E493-L497 WeakPolarHBondContact O-CG 3.34Å; E493-L497 PolarHBondContact O-N 3.48Å
494	F	28.9	Very low	30.5	Very low	112 Å²	112	99.5 Å²	99.5	49%	0.491	50%	0.499	S	S	.	.	H	α-helix	trans	-71.7	-35.6	178.2	-146.9	-89.9	0	0	0	112.1	Y490 N492 Y498 Y557	Y490-F494 VanDerWaalsContact O-CB 3.31Å; Y490-F494 WeakPolarHBondContact O-CB 3.26Å; N492-F494 VanDerWaalsContact C-N 3.33Å; F494-Y498 WeakPolarHBondContact O-CB 3.44Å; F494-Y498 PolarHBondContact O-N 3.38Å; F494-Y557 HydrophobicContact CE1-CE1 4.27Å; F494-Y557 HydrophobicContact CZ-CE1 4.32Å; F494-Y557 WeakPolarHBondContact CZ-OH 3.43Å
495	Q	33.1	Very low	30.7	Very low	136 Å²	136	98.3 Å²	98.3	64%	0.636	50%	0.496	S	S	*	.	H	α-helix	trans	-68.8	-33.1	172.5	-76.6	178.7	19.1	0	0	112.7	D491 G499	D491-Q495 WeakPolarHBondContact O-CG 3.24Å; D491-Q495 PolarHBondContact O-N 2.83Å; Q495-G499 PolarHBondContact O-N 3.11Å
496	Y	33.7	Very low	31.2	Very low	133 Å²	133	96.5 Å²	96.5	52%	0.522	49%	0.493	S	S	.	.	H	α-helix	trans	-69.9	-49.9	175.3	-178.6	-101.3	0	0	0	111.9	H339 N492 E493 Y498 G499 I500	H339-Y496 AromaticContact NE2-CD2 3.99Å; N492-Y496 PolarHBondContact O-N 3.31Å; E493-Y496 PolarHBondContact O-N 3.22Å; Y496-Y498 VanDerWaalsContact C-N 3.35Å; Y496-Y498 PolarHBondContact O-N 3.44Å; Y496-G499 PolarHBondContact O-N 2.67Å; Y496-G499 VanDerWaalsContact O-N 3.15Å; Y496-I500 HydrophobicContact CD1-CD1 3.83Å; Y496-I500 HydrophobicContact CE1-CD1 3.35Å; Y496-I500 HydrophobicContact CE2-CD1 4.31Å; Y496-I500 HydrophobicContact CG-CD1 4.49Å; Y496-I500 WeakPolarHBondContact O-CG1 3.34Å; Y496-I500 PolarHBondContact O-N 2.93Å
497	L	32.2	Very low	31.7	Very low	101 Å²	101	94 Å²	94	53%	0.529	49%	0.489	S	S	.	.	H	α-helix	trans	-63.4	-38.7	174.7	-75.8	163.7	0	0	0	112	E493 G499 I500 V501	E493-L497 WeakPolarHBondContact O-CB 3.47Å; E493-L497 WeakPolarHBondContact O-CG 3.34Å; E493-L497 PolarHBondContact O-N 3.48Å; L497-G499 VanDerWaalsContact C-N 3.32Å; L497-G499 PolarHBondContact O-N 2.89Å; L497-I500 PolarHBondContact O-N 3.09Å; L497-V501 VanDerWaalsContact O-CG2 3.31Å; L497-V501 WeakPolarHBondContact O-CG2 3.4Å; L497-V501 PolarHBondContact O-N 3.39Å
498	Y	36.6	Very low	31.9	Very low	45 Å²	45	91 Å²	91	18%	0.176	48%	0.479	C	S	.	.	H	α-helix	trans	-63.1	-35.1	173	-177.2	-101.8	0	0	0	112.4	F494 Y496 N502 I560	F494-Y498 WeakPolarHBondContact O-CB 3.44Å; F494-Y498 PolarHBondContact O-N 3.38Å; Y496-Y498 VanDerWaalsContact C-N 3.35Å; Y496-Y498 PolarHBondContact O-N 3.44Å; Y498-N502 WeakPolarHBondContact CD1-ND2 3.47Å; Y498-N502 VanDerWaalsContact CE1-ND2 3.3Å; Y498-N502 WeakPolarHBondContact CE1-ND2 2.85Å; Y498-N502 WeakPolarHBondContact CE2-ND2 3.41Å; Y498-N502 VanDerWaalsContact CZ-ND2 3.29Å; Y498-N502 WeakPolarHBondContact O-CB 3.47Å; Y498-N502 PolarHBondContact O-N 3.05Å; Y498-N502 PolarHBondContact O-ND2 3.48Å; Y498-I560 HydrophobicContact CE2-CG2 4.43Å
499	G	34.6	Very low	32.3	Very low	41 Å²	41	92.3 Å²	92.3	42%	0.423	48%	0.482	S	S	.	.	H	α-helix	trans	-68.5	-40	173.6	0	0	0	0	0	113.4	Q495 Y496 L497 L503	Q495-G499 PolarHBondContact O-N 3.11Å; Y496-G499 PolarHBondContact O-N 2.67Å; Y496-G499 VanDerWaalsContact O-N 3.15Å; L497-G499 VanDerWaalsContact C-N 3.32Å; L497-G499 PolarHBondContact O-N 2.89Å; G499-L503 WeakPolarHBondContact O-CB 3.39Å; G499-L503 PolarHBondContact O-N 3.37Å; G499-L503 VanDerWaalsContact O-N 3.16Å
500	I	35	Very low	32.6	Very low	82 Å²	82	93.7 Å²	93.7	42%	0.421	49%	0.486	S	S	.	.	H	α-helix	trans	-70.6	-45.4	179.3	-67.8	172.3	0	0	0	111.3	Y496 L497 L503 A504	Y496-I500 HydrophobicContact CD1-CD1 3.83Å; Y496-I500 HydrophobicContact CE1-CD1 3.35Å; Y496-I500 HydrophobicContact CE2-CD1 4.31Å; Y496-I500 HydrophobicContact CG-CD1 4.49Å; Y496-I500 WeakPolarHBondContact O-CG1 3.34Å; Y496-I500 PolarHBondContact O-N 2.93Å; L497-I500 PolarHBondContact O-N 3.09Å; I500-L503 PolarHBondContact O-N 3.46Å; I500-A504 WeakPolarHBondContact O-CB 3.47Å; I500-A504 PolarHBondContact O-N 3.37Å
501	V	33.6	Very low	32.8	Very low	83 Å²	83	90.6 Å²	90.6	50%	0.503	49%	0.486	S	S	.	.	H	α-helix	trans	-65	-41.5	179.9	173.7	0	0	0	0	111.3	L497 L503 A504 M505	L497-V501 VanDerWaalsContact O-CG2 3.31Å; L497-V501 WeakPolarHBondContact O-CG2 3.4Å; L497-V501 PolarHBondContact O-N 3.39Å; V501-L503 PolarHBondContact O-N 2.93Å; V501-A504 PolarHBondContact O-N 2.61Å; V501-M505 HydrophobicContact CG1-CG 4.47Å; V501-M505 HydrophobicContact CG1-SD 4.31Å; V501-M505 WeakPolarHBondContact O-CB 3.24Å; V501-M505 WeakPolarHBondContact O-CG 3.44Å; V501-M505 PolarHBondContact O-N 2.63Å
502	N	35.8	Very low	32.8	Very low	44 Å²	44	92.5 Å²	92.5	24%	0.235	50%	0.496	C	S	.	.	H	α-helix	trans	-67.1	-35.4	176.1	-78.6	-48.6	0	0	0	113	Y498 C506	Y498-N502 WeakPolarHBondContact CD1-ND2 3.47Å; Y498-N502 VanDerWaalsContact CE1-ND2 3.3Å; Y498-N502 WeakPolarHBondContact CE1-ND2 2.85Å; Y498-N502 WeakPolarHBondContact CE2-ND2 3.41Å; Y498-N502 VanDerWaalsContact CZ-ND2 3.29Å; Y498-N502 WeakPolarHBondContact O-CB 3.47Å; Y498-N502 PolarHBondContact O-N 3.05Å; Y498-N502 PolarHBondContact O-ND2 3.48Å; N502-C506 WeakPolarHBondContact O-CB 3.36Å; N502-C506 PolarHBondContact O-N 2.74Å; N502-C506 PolarHBondContact O-SG 3.41Å
503	L	39.6	Very low	32.7	Very low	91 Å²	91	93.3 Å²	93.3	48%	0.476	50%	0.504	S	S	.	.	H	α-helix	trans	-65.4	-44.6	173.4	-174.3	65	0	0	0	111	G499 I500 V501 C506 T507	G499-L503 WeakPolarHBondContact O-CB 3.39Å; G499-L503 PolarHBondContact O-N 3.37Å; G499-L503 VanDerWaalsContact O-N 3.16Å; I500-L503 PolarHBondContact O-N 3.46Å; V501-L503 PolarHBondContact O-N 2.93Å; L503-C506 PolarHBondContact O-N 3.34Å; L503-T507 WeakPolarHBondContact O-CG2 3.3Å; L503-T507 PolarHBondContact O-N 2.93Å; L503-T507 PolarHBondContact O-OG1 3.16Å
504	A	31.9	Very low	32.7	Very low	54 Å²	54	94.3 Å²	94.3	45%	0.446	51%	0.506	S	S	.	.	H	α-helix	trans	-63	-40.7	177.6	0	0	0	0	0	112.5	I500 V501 T507 A508	I500-A504 WeakPolarHBondContact O-CB 3.47Å; I500-A504 PolarHBondContact O-N 3.37Å; V501-A504 PolarHBondContact O-N 2.61Å; A504-T507 WeakPolarHBondContact CA-OG1 3.48Å; A504-T507 PolarHBondContact O-OG1 3.21Å; A504-A508 WeakPolarHBondContact O-CB 3.37Å; A504-A508 PolarHBondContact O-N 2.98Å
505	M	30.8	Very low	32.5	Very low	108 Å²	108	94.5 Å²	94.5	53%	0.532	52%	0.519	S	S	.	.	H	α-helix	trans	-69.3	-39.8	176.4	-71.4	-169.5	75.3	0	0	112.6	V501 A508 Q509	V501-M505 HydrophobicContact CG1-CG 4.47Å; V501-M505 HydrophobicContact CG1-SD 4.31Å; V501-M505 WeakPolarHBondContact O-CB 3.24Å; V501-M505 WeakPolarHBondContact O-CG 3.44Å; V501-M505 PolarHBondContact O-N 2.63Å; M505-A508 PolarHBondContact O-N 3.07Å; M505-Q509 WeakPolarHBondContact O-CG 3.48Å; M505-Q509 PolarHBondContact O-N 3.03Å
506	C	33.5	Very low	32.2	Very low	63 Å²	63	94.7 Å²	94.7	43%	0.426	53%	0.529	S	S	.	.	H	α-helix	trans	-66.9	-38.4	175.3	-72.7	0	0	0	0	111.9	N502 L503 Q509 Q510	N502-C506 WeakPolarHBondContact O-CB 3.36Å; N502-C506 PolarHBondContact O-N 2.74Å; N502-C506 PolarHBondContact O-SG 3.41Å; L503-C506 PolarHBondContact O-N 3.34Å; C506-Q509 PolarHBondContact O-N 3.16Å; C506-Q510 WeakPolarHBondContact O-CB 3.49Å; C506-Q510 VanDerWaalsContact O-CG 3.28Å; C506-Q510 WeakPolarHBondContact O-CG 3.46Å; C506-Q510 PolarHBondContact O-N 2.9Å
507	T	34.6	Very low	31.7	Very low	71 Å²	71	95 Å²	95	44%	0.436	54%	0.539	S	S	.	.	H	α-helix	trans	-67.2	-36.9	173.4	49.9	0	0	0	0	111.7	L503 A504 Q510 S511	L503-T507 WeakPolarHBondContact O-CG2 3.3Å; L503-T507 PolarHBondContact O-N 2.93Å; L503-T507 PolarHBondContact O-OG1 3.16Å; A504-T507 WeakPolarHBondContact CA-OG1 3.48Å; A504-T507 PolarHBondContact O-OG1 3.21Å; T507-Q510 PolarHBondContact O-N 3.4Å; T507-S511 PolarHBondContact O-N 3.48Å; T507-S511 VanDerWaalsContact O-N 3.08Å; T507-S511 PolarHBondContact O-OG 3.12Å
508	A	29.5	Very low	31.4	Very low	48 Å²	48	98.6 Å²	98.6	40%	0.397	55%	0.553	S	S	.	*	H	α-helix	trans	-67.7	-38.8	175.3	0	0	0	0	0	112.8	A504 M505 S511 L512	A504-A508 WeakPolarHBondContact O-CB 3.37Å; A504-A508 PolarHBondContact O-N 2.98Å; M505-A508 PolarHBondContact O-N 3.07Å; A508-S511 WeakPolarHBondContact O-CB 3.29Å; A508-S511 PolarHBondContact O-N 2.95Å; A508-L512 WeakPolarHBondContact O-CD1 3.47Å; A508-L512 WeakPolarHBondContact O-CG 3.47Å; A508-L512 PolarHBondContact O-N 3.26Å
509	Q	34.3	Very low	31.1	Very low	124 Å²	124	105.1 Å²	105.1	58%	0.579	59%	0.585	S	S	*	*	H	α-helix	trans	-69.8	-32.1	175.4	-76.9	177.2	-56.2	0	0	113	M505 C506 S511 L512 T513	M505-Q509 WeakPolarHBondContact O-CG 3.48Å; M505-Q509 PolarHBondContact O-N 3.03Å; C506-Q509 PolarHBondContact O-N 3.16Å; Q509-S511 VanDerWaalsContact C-N 3.34Å; Q509-L512 PolarHBondContact O-N 3.48Å; Q509-T513 WeakPolarHBondContact O-CG2 3.43Å; Q509-T513 PolarHBondContact O-N 3.09Å; Q509-T513 PolarHBondContact O-OG1 3.26Å
510	Q	34.5	Very low	30.6	Very low	136 Å²	136	112 Å²	112	64%	0.636	60%	0.604	S	S	*	*	H	α-helix	trans	-74.2	-24	173.3	-72.2	174.3	0.2	0	0	112.8	C506 T507	C506-Q510 WeakPolarHBondContact O-CB 3.49Å; C506-Q510 VanDerWaalsContact O-CG 3.28Å; C506-Q510 WeakPolarHBondContact O-CG 3.46Å; C506-Q510 PolarHBondContact O-N 2.9Å; T507-Q510 PolarHBondContact O-N 3.4Å
511	S	32	Very low	30.3	Very low	89 Å²	89	115.5 Å²	115.5	62%	0.622	62%	0.618	S	S	*	*	H	α-helix	trans	-74.5	-23.7	170.4	-53.5	0	0	0	0	113.5	T507 A508 Q509	T507-S511 PolarHBondContact O-N 3.48Å; T507-S511 VanDerWaalsContact O-N 3.08Å; T507-S511 PolarHBondContact O-OG 3.12Å; A508-S511 WeakPolarHBondContact O-CB 3.29Å; A508-S511 PolarHBondContact O-N 2.95Å; Q509-S511 VanDerWaalsContact C-N 3.34Å
512	L	28.9	Very low	30	Very low	147 Å²	147	118.8 Å²	118.8	77%	0.77	63%	0.628	S	S	*	*	S	Bend	trans	-98	0.5	-175.8	-72.9	163.8	0	0	0	114	A508 Q509	A508-L512 WeakPolarHBondContact O-CD1 3.47Å; A508-L512 WeakPolarHBondContact O-CG 3.47Å; A508-L512 PolarHBondContact O-N 3.26Å; Q509-L512 PolarHBondContact O-N 3.48Å
513	T	27.4	Very low	29.6	Very low	106 Å²	106	123.7 Å²	123.7	65%	0.65	65%	0.653	S	S	*	*			trans	-125	19.8	-173.8	48.7	0	0	0	0	114.2	Q509	Q509-T513 WeakPolarHBondContact O-CG2 3.43Å; Q509-T513 PolarHBondContact O-N 3.09Å; Q509-T513 PolarHBondContact O-OG1 3.26Å
514	K	27.3	Very low	28.8	Very low	166 Å²	166	128.7 Å²	128.7	72%	0.722	67%	0.674	S	S	*	*			trans	-73.5	124.8	167.3	-69.9	-174.9	179.8	-179.9	0	109.5	V516	K514-V516 PolarHBondContact O-N 3.23Å
515	P	24.6	Very low	28.5	Very low	117 Å²	117	129.3 Å²	129.3	76%	0.76	69%	0.686	S	S	*	*			trans	-69.3	121.6	177.7	28.3	-30.2	0	0	0	109	D517	P515-D517 PolarHBondContact O-N 3.39Å
516	V	26.4	Very low	28.1	Very low	140 Å²	140	131.1 Å²	131.1	85%	0.848	70%	0.697	S	S	*	*			trans	-86.1	86.7	175.3	-179.4	0	0	0	0	107.7	K514	K514-V516 PolarHBondContact O-N 3.23Å
517	D	22.3	Very low	27.6	Very low	138 Å²	138	134.4 Å²	134.4	74%	0.738	71%	0.711	S	S	*	*			trans	-128.6	98.7	161.2	-82.6	-43.3	0	0	0	107.2	P515	P515-D517 PolarHBondContact O-N 3.39Å
518	H	27	Very low	27.1	Very low	178 Å²	178	139.4 Å²	139.4	82%	0.824	73%	0.729	S	S	*	*			trans	162.7	133.5	136.6	-83.2	-37	0	0	0	112.9
519	Q	29.8	Very low	26.8	Very low	182 Å²	182	144 Å²	144	85%	0.85	74%	0.742	S	S	*	*			trans	85.4	88.7	161	-63.9	170.5	-4.3	0	0	115.9
520	K	24.5	Very low	26.3	Very low	186 Å²	186	147.8 Å²	147.8	81%	0.809	76%	0.757	S	S	*	*				56.9	129.5	78.5	-96.9	-177.8	175.2	179.2	0	113.9
521	Q	27.3	Very low	25.8	Very low	155 Å²	155	147.1 Å²	147.1	72%	0.724	76%	0.758	S	S	*	*			trans	77.8	129.9	159	-64	161.6	-6.7	0	0	112.5
522	Q	28.2	Very low	25.4	Very low	152 Å²	152	149.5 Å²	149.5	71%	0.71	76%	0.763	S	S	*	*			cis	179.7	146.8	24.6	-119.3	163	-7.4	0	0	106.5
523	I	28.3	Very low	25.3	Very low	146 Å²	146	151.9 Å²	151.9	75%	0.749	77%	0.767	S	S	*	*			trans	76.8	96.3	146.2	-54.8	159.4	0	0	0	115.3
524	E	22.4	Very low	25.1	Very low	196 Å²	196	157.5 Å²	157.5	92%	0.916	78%	0.776	S	S	*	*				42.7	115.7	81.6	-80.9	-178	177.1	0	0	115.1
525	G	24.5	Very low	25	Very low	68 Å²	68	158.3 Å²	158.3	70%	0.701	78%	0.782	S	S	*	*			trans	140.1	93.8	164.2	0	0	0	0	0	115
526	D	23.3	Very low	25.1	Very low	146 Å²	146	156.5 Å²	156.5	78%	0.781	77%	0.772	S	S	*	*				48.7	133.4	120.6	-59.1	-10.9	0	0	0	121.7
527	N	23.6	Very low	25	Very low	131 Å²	131	156 Å²	156	70%	0.701	77%	0.765	S	S	*	*			trans	85.7	113.4	141.2	-61	-21.3	0	0	0	120.2
528	E	22.9	Very low	25.2	Very low	176 Å²	176	156.6 Å²	156.6	82%	0.822	77%	0.768	S	S	*	*				62.6	122.2	121.3	-61.7	-168.7	157.7	0	0	120.6
529	H	23.1	Very low	25.1	Very low	145 Å²	145	156.6 Å²	156.6	67%	0.671	77%	0.768	S	S	*	*			trans	72.1	100.1	136.6	-127.2	73.2	0	0	0	118.7
530	F	24.3	Very low	25.3	Very low	204 Å²	204	151.8 Å²	151.8	90%	0.895	75%	0.753	S	S	*	*			trans	-142.6	95.5	136.1	-105.4	-81.6	0	0	0	110.4
531	N	23.4	Very low	25.3	Very low	122 Å²	122	153.9 Å²	153.9	65%	0.652	76%	0.757	S	S	*	*			trans	-76	138.2	160.1	-94.5	-51.7	0	0	0	110.1
532	L	23.7	Very low	25.2	Very low	139 Å²	139	149.5 Å²	149.5	73%	0.728	75%	0.754	S	S	*	*			trans	-179.1	129.8	149.4	-98.4	134.9	0	0	0	108.8
533	K	26.3	Very low	25	Very low	197 Å²	197	151.4 Å²	151.4	86%	0.857	76%	0.76	S	S	*	*			cis	-162.4	153.7	-14.1	-113.8	-176.7	-167.9	174.6	0	106.6
534	R	23.8	Very low	24.7	Very low	224 Å²	224	150.5 Å²	150.5	85%	0.845	76%	0.757	S	S	*	*			trans	-58.6	158	179.1	-65.3	169.8	172.2	175.8	-4.7	114.7
535	H	26.3	Very low	24.8	Very low	182 Å²	182	148.5 Å²	148.5	84%	0.843	75%	0.752	S	S	*	*				-175.5	103.8	120.6	-87.8	-63.7	0	0	0	107.6
536	S	24.9	Very low	24.7	Very low	79 Å²	79	150.6 Å²	150.6	55%	0.552	75%	0.753	S	S	*	*				84.1	110.4	67	69.1	0	0	0	0	113.7
537	N	24.8	Very low	24.8	Very low	131 Å²	131	148.7 Å²	148.7	70%	0.701	75%	0.751	S	S	*	*			trans	131.5	112.3	134.3	-65.2	-4.6	0	0	0	116.4
538	D	26.6	Very low	24.7	Very low	149 Å²	149	150.9 Å²	150.9	80%	0.797	76%	0.759	S	S	*	*			trans	61.2	139.9	135.4	-43.1	-28.4	0	0	0	119.7
539	E	26	Very low	24.8	Very low	178 Å²	178	148.8 Å²	148.8	83%	0.832	75%	0.752	S	S	*	*			cis	178.7	-168.1	-18.4	-141.9	-143.4	167.5	0	0	104.2
540	P	33.5	Very low	25	Very low	82 Å²	82	144 Å²	144	53%	0.532	74%	0.735	S	S	.	*				-117.1	-163.9	-92.6	40.3	-20.8	0	0	0	115.2
541	Y	24.7	Very low	25.3	Very low	229 Å²	229	137.3 Å²	137.3	90%	0.898	72%	0.718	S	S	*	*			trans	89.1	127.5	178.5	-63.7	-89.4	0	0	0	116.3
542	G	23.7	Very low	25.5	Very low	64 Å²	64	133.6 Å²	133.6	66%	0.66	70%	0.698	S	S	*	*			cis	134.4	114.4	8.6	0	0	0	0	0	111.6
543	K	24.4	Very low	25.8	Very low	192 Å²	192	129 Å²	129	84%	0.835	67%	0.674	S	S	*	*			trans	92.9	121.8	146.6	-55.2	177.9	-179.9	174.7	0	121.7
544	N	23	Very low	26	Very low	127 Å²	127	125.4 Å²	125.4	68%	0.679	66%	0.664	S	S	*	*			trans	103.2	99.1	138.3	-59.7	-36.2	0	0	0	120.7
545	L	24.1	Very low	26.2	Very low	153 Å²	153	120.8 Å²	120.8	80%	0.801	65%	0.652	S	S	*	*				167.9	148.7	110.9	-130	50.2	0	0	0	110.3
546	P	22.2	Very low	26.5	Very low	113 Å²	113	119.4 Å²	119.4	73%	0.734	64%	0.639	S	S	*	*				-122.5	155.5	-86.3	20.6	0.6	0	0	0	114.7
547	S	24.9	Very low	26.6	Very low	106 Å²	106	120.5 Å²	120.5	74%	0.741	63%	0.632	S	S	*	*			trans	-53.9	162.4	158.5	49.8	0	0	0	0	112.4
548	M	21.2	Very low	26.8	Very low	177 Å²	177	118 Å²	118	87%	0.872	62%	0.624	S	S	*	*			trans	104.6	71.2	170.9	-55	-165.2	150.5	0	0	116.2
549	I	25.5	Very low	26.8	Very low	131 Å²	131	114.8 Å²	114.8	67%	0.672	60%	0.603	S	S	*	*			trans	-80.9	109.5	141.7	-60.2	176.4	0	0	0	105.2	D553 L554	I549-D553 HydrophobicContact CG2-CB 3.82Å; I549-L554 HydrophobicContact CG2-CD1 4.43Å
550	S	28.7	Very low	26.9	Very low	44 Å²	44	110 Å²	110	31%	0.308	58%	0.583	S	S	.	*			trans	-71.1	153	177.2	76.2	0	0	0	0	109.8	N552 D553 L554	S550-N552 PolarHBondContact O-N 3.48Å; S550-N552 WeakPolarHBondContact OG-CB 3.36Å; S550-D553 WeakPolarHBondContact CB-OD2 3.42Å; S550-D553 PolarHBondContact N-OD2 3.2Å; S550-D553 VanDerWaalsContact N-OD2 3.11Å; S550-D553 WeakPolarHBondContact O-CB 3.48Å; S550-D553 PolarHBondContact O-N 3.13Å; S550-D553 PolarHBondContact OG-N 3.25Å; S550-D553 PolarHBondContact OG-OD2 3.42Å; S550-L554 PolarHBondContact O-N 3.47Å
551	A	29	Very low	26.8	Very low	65 Å²	65	109 Å²	109	54%	0.537	58%	0.578	S	S	.	*	H	α-helix	trans	-53.9	-24.4	175.1	0	0	0	0	0	113.2	E555	A551-E555 PolarHBondContact O-N 2.94Å
552	N	28.3	Very low	27.1	Very low	43 Å²	43	101.6 Å²	101.6	23%	0.23	56%	0.559	C	S	.	*	H	α-helix	trans	-69.3	-32	173.2	-95.8	-7.1	0	0	0	113.8	W37 R41 S550 R556	W37-N552 WeakPolarHBondContact CZ3-ND2 3.49Å; R41-N552 PolarHBondContact NE-ND2 2.81Å; R41-N552 PolarHBondContact NH2-OD1 2.98Å; S550-N552 PolarHBondContact O-N 3.48Å; S550-N552 WeakPolarHBondContact OG-CB 3.36Å; N552-R556 WeakPolarHBondContact O-CB 3.32Å; N552-R556 PolarHBondContact O-N 3.29Å
553	D	29.1	Very low	27.5	Very low	44 Å²	44	104.4 Å²	104.4	24%	0.235	56%	0.555	C	S	.	*	H	α-helix	trans	-71.8	-38.9	177.5	-61.9	-53.6	0	0	0	109.5	I549 S550 E555 R556 Y557	I549-D553 HydrophobicContact CG2-CB 3.82Å; S550-D553 WeakPolarHBondContact CB-OD2 3.42Å; S550-D553 PolarHBondContact N-OD2 3.2Å; S550-D553 VanDerWaalsContact N-OD2 3.11Å; S550-D553 WeakPolarHBondContact O-CB 3.48Å; S550-D553 PolarHBondContact O-N 3.13Å; S550-D553 PolarHBondContact OG-N 3.25Å; S550-D553 PolarHBondContact OG-OD2 3.42Å; D553-E555 PolarHBondContact O-N 3.21Å; D553-R556 WeakPolarHBondContact O-CA 3.45Å; D553-R556 VanDerWaalsContact O-CB 3.24Å; D553-R556 WeakPolarHBondContact O-CB 3.3Å; D553-R556 PolarHBondContact O-N 3.03Å; D553-R556 VanDerWaalsContact O-N 3.11Å; D553-Y557 HydrophobicContact CB-CD2 4.48Å; D553-Y557 HydrophobicContact CB-CE2 4.2Å; D553-Y557 WeakPolarHBondContact O-CD2 3.08Å; D553-Y557 PolarHBondContact O-N 3.2Å
554	L	31.7	Very low	27.7	Very low	121 Å²	121	99.5 Å²	99.5	63%	0.634	54%	0.538	S	S	*	.	H	α-helix	trans	-63.4	-37.2	175.3	-141.8	75	0	0	0	112.9	I549 S550 Y557 S558	I549-L554 HydrophobicContact CG2-CD1 4.43Å; S550-L554 PolarHBondContact O-N 3.47Å; L554-Y557 PolarHBondContact O-N 3.45Å; L554-S558 PolarHBondContact O-N 3.02Å
555	E	28	Very low	28.1	Very low	127 Å²	127	99.8 Å²	99.8	59%	0.593	53%	0.533	S	S	*	.	H	α-helix	trans	-71.3	-32.5	171.6	-74.2	-172.3	173.2	0	0	113.2	A551 D553 Y557 S558 F559	A551-E555 PolarHBondContact O-N 2.94Å; D553-E555 PolarHBondContact O-N 3.21Å; E555-Y557 VanDerWaalsContact C-N 3.3Å; E555-S558 PolarHBondContact O-N 3.12Å; E555-S558 PolarHBondContact O-OG 3Å; E555-F559 WeakPolarHBondContact O-CB 3.15Å; E555-F559 PolarHBondContact O-N 2.64Å; E555-F559 VanDerWaalsContact O-N 3.16Å
556	R	31.5	Very low	28.3	Very low	152 Å²	152	97.6 Å²	97.6	57%	0.574	52%	0.522	S	S	*	.	H	α-helix	trans	-64	-37.8	172	-124.6	172.6	-178.2	176.4	-1.1	111.2	N552 D553 I560	N552-R556 WeakPolarHBondContact O-CB 3.32Å; N552-R556 PolarHBondContact O-N 3.29Å; D553-R556 WeakPolarHBondContact O-CA 3.45Å; D553-R556 VanDerWaalsContact O-CB 3.24Å; D553-R556 WeakPolarHBondContact O-CB 3.3Å; D553-R556 PolarHBondContact O-N 3.03Å; D553-R556 VanDerWaalsContact O-N 3.11Å; R556-I560 WeakPolarHBondContact O-CD1 3.48Å; R556-I560 VanDerWaalsContact O-CG1 3.26Å; R556-I560 WeakPolarHBondContact O-CG1 3.42Å; R556-I560 PolarHBondContact O-N 3.28Å
557	Y	28	Very low	28.7	Very low	103 Å²	103	99.4 Å²	99.4	40%	0.404	52%	0.515	S	S	.	.	H	α-helix	trans	-75.9	-35.7	177.5	-72.2	-66.1	0	0	0	112.6	F494 D553 L554 E555 S561	F494-Y557 HydrophobicContact CE1-CE1 4.27Å; F494-Y557 HydrophobicContact CZ-CE1 4.32Å; F494-Y557 WeakPolarHBondContact CZ-OH 3.43Å; D553-Y557 HydrophobicContact CB-CD2 4.48Å; D553-Y557 HydrophobicContact CB-CE2 4.2Å; D553-Y557 WeakPolarHBondContact O-CD2 3.08Å; D553-Y557 PolarHBondContact O-N 3.2Å; L554-Y557 PolarHBondContact O-N 3.45Å; E555-Y557 VanDerWaalsContact C-N 3.3Å; Y557-S561 PolarHBondContact O-N 3.12Å
558	S	27.8	Very low	29.2	Very low	78 Å²	78	101.3 Å²	101.3	55%	0.545	51%	0.512	S	S	.	.	H	α-helix	trans	-69.5	-34	176.9	83.1	0	0	0	0	113.2	L554 E555 S562	L554-S558 PolarHBondContact O-N 3.02Å; E555-S558 PolarHBondContact O-N 3.12Å; E555-S558 PolarHBondContact O-OG 3Å; S558-S562 PolarHBondContact O-N 2.88Å
559	F	27.4	Very low	30.2	Very low	81 Å²	81	99.6 Å²	99.6	36%	0.355	51%	0.507	S	S	.	.	H	α-helix	trans	-79.2	-32.3	-178.3	-157.9	-100.1	0	0	0	113.2	K156 E555 S562 H563	K156-F559 HydrophobicContact CD-CE2 4Å; K156-F559 HydrophobicContact CD-CZ 3.9Å; E555-F559 WeakPolarHBondContact O-CB 3.15Å; E555-F559 PolarHBondContact O-N 2.64Å; E555-F559 VanDerWaalsContact O-N 3.16Å; F559-S562 PolarHBondContact O-N 3.18Å; F559-S562 PolarHBondContact O-OG 3.13Å; F559-H563 AromaticContact CE1-CD2 3.79Å; F559-H563 AromaticContact CZ-NE2 3.99Å
560	I	29	Very low	31.9	Very low	79 Å²	79	96.9 Å²	96.9	41%	0.405	49%	0.49	S	S	.	.	H	α-helix	trans	-72.9	-32.1	174.5	-64.7	169	0	0	0	110.6	Y498 R556 S562 H563 N564	Y498-I560 HydrophobicContact CE2-CG2 4.43Å; R556-I560 WeakPolarHBondContact O-CD1 3.48Å; R556-I560 VanDerWaalsContact O-CG1 3.26Å; R556-I560 WeakPolarHBondContact O-CG1 3.42Å; R556-I560 PolarHBondContact O-N 3.28Å; I560-S562 VanDerWaalsContact C-N 3.28Å; I560-S562 PolarHBondContact O-N 3.16Å; I560-H563 PolarHBondContact O-N 3.41Å; I560-N564 PolarHBondContact O-N 2.96Å; I560-N564 VanDerWaalsContact O-N 3.16Å
561	S	30.9	Very low	34.1	Very low	61 Å²	61	100.1 Å²	100.1	43%	0.427	50%	0.497	S	S	.	.	H	α-helix	trans	-63.8	-27.9	169.3	-85.1	0	0	0	0	114.1	Y557 H563	Y557-S561 PolarHBondContact O-N 3.12Å; S561-H563 VanDerWaalsContact C-N 3.32Å; S561-H563 PolarHBondContact O-N 3.35Å
562	S	29.7	Very low	36	Very low	72 Å²	72	101 Å²	101	50%	0.503	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-13.8	175.3	74.8	0	0	0	0	114.2	S558 F559 I560	S558-S562 PolarHBondContact O-N 2.88Å; F559-S562 PolarHBondContact O-N 3.18Å; F559-S562 PolarHBondContact O-OG 3.13Å; I560-S562 VanDerWaalsContact C-N 3.28Å; I560-S562 PolarHBondContact O-N 3.16Å
563	H	32.1	Very low	38.5	Very low	123 Å²	123	98.9 Å²	98.9	57%	0.569	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.2	-7.7	-168	-87.4	-66.2	0	0	0	115.4	F559 I560 S561	F559-H563 AromaticContact CE1-CD2 3.79Å; F559-H563 AromaticContact CZ-NE2 3.99Å; I560-H563 PolarHBondContact O-N 3.41Å; S561-H563 VanDerWaalsContact C-N 3.32Å; S561-H563 PolarHBondContact O-N 3.35Å
564	N	30	Very low	41	Very low	90 Å²	90	102.7 Å²	102.7	48%	0.481	50%	0.504	S	S	.	.			trans	-96	94.2	166.4	-81.8	-27.4	0	0	0	110.2	I560 L566	I560-N564 PolarHBondContact O-N 2.96Å; I560-N564 VanDerWaalsContact O-N 3.16Å; N564-L566 PolarHBondContact O-N 3.38Å
565	F	31.2	Very low	43.4	Very low	132 Å²	132	101.1 Å²	101.1	58%	0.579	50%	0.5	S	S	*	.			trans	-58.3	67.2	165.1	-101.1	-97.2	0	0	0	110.7	Y567 F570 P581	F565-Y567 VanDerWaalsContact C-N 3.3Å; F565-Y567 PolarHBondContact O-N 3.08Å; F565-Y567 VanDerWaalsContact O-N 3.14Å; F565-F570 HydrophobicContact CD1-CE1 4.47Å; F565-F570 HydrophobicContact CD1-CZ 4.09Å; F565-P581 HydrophobicContact CE1-CB 4.01Å; F565-P581 HydrophobicContact CZ-CB 4.17Å
566	L	28	Very low	46	Very low	108 Å²	108	97.2 Å²	97.2	57%	0.565	49%	0.486	S	S	*	.			trans	-80.8	86.6	164.3	-71.5	173.5	0	0	0	107.3	N564 E568	N564-L566 PolarHBondContact O-N 3.38Å; L566-E568 PolarHBondContact O-N 3.35Å; L566-E568 VanDerWaalsContact O-N 3.15Å
567	Y	30.4	Very low	48.2	Very low	150 Å²	150	96.2 Å²	96.2	59%	0.588	49%	0.488	S	S	*	.	S	Bend	trans	60	31.2	147.4	-79.9	-87.3	0	0	0	119.8	F565	F565-Y567 VanDerWaalsContact C-N 3.3Å; F565-Y567 PolarHBondContact O-N 3.08Å; F565-Y567 VanDerWaalsContact O-N 3.14Å
568	E	36.5	Very low	50.4	Low	146 Å²	146	97.3 Å²	97.3	68%	0.682	49%	0.494	S	S	*	.	S	Bend	trans	-128.7	123.4	172.8	-67.6	-179.1	169.7	0	0	110.7	L566	L566-E568 PolarHBondContact O-N 3.35Å; L566-E568 VanDerWaalsContact O-N 3.15Å
569	N	41.1	Very low	52.5	Low	141 Å²	141	99.2 Å²	99.2	75%	0.754	49%	0.493	S	S	*	.			trans	67.9	65.1	176.8	-58.9	-24.4	0	0	0	118.4
570	F	61.5	Low	54.8	Low	75 Å²	75	97 Å²	97	33%	0.329	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-88.9	143.6	157.5	-70	-86.1	0	0	0	111.1	F565 K579 P581	F565-F570 HydrophobicContact CD1-CE1 4.47Å; F565-F570 HydrophobicContact CD1-CZ 4.09Å; F570-K579 HydrophobicContact CB-CB 3.91Å; F570-K579 HydrophobicContact CB-CD 4.31Å; F570-K579 HydrophobicContact CB-CG 4.22Å; F570-K579 HydrophobicContact CD1-CB 4.02Å; F570-K579 HydrophobicContact CG-CB 4.03Å; F570-K579 HydrophobicContact CG-CD 4.39Å; F570-P581 HydrophobicContact CD1-CB 4.47Å; F570-P581 HydrophobicContact CE1-CB 4.26Å
571	Y	74.2	Confident	56.3	Low	112 Å²	112	96 Å²	96	44%	0.439	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	120.1	168.6	-65.1	-93.6	0	0	0	108.9	F580 A583	Y571-F580 PolarHBondContact N-O 3.48Å; Y571-F580 PolarHBondContact O-N 3.21Å; Y571-A583 HydrophobicContact CD1-CB 3.84Å; Y571-A583 HydrophobicContact CD2-CB 4.39Å; Y571-A583 HydrophobicContact CE1-CB 3.52Å; Y571-A583 HydrophobicContact CE2-CB 4.13Å; Y571-A583 HydrophobicContact CG-CB 4.26Å
572	T	70	Confident	58.3	Low	82 Å²	82	101.6 Å²	101.6	50%	0.503	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	136.6	-179.3	41.5	0	0	0	0	111	K578 K579 L586	T572-K578 WeakPolarHBondContact CA-O 3.24Å; T572-K579 HydrophobicContact CG2-CG 3.88Å; T572-L586 WeakPolarHBondContact O-CD2 3.39Å
573	C	80.9	Confident	60.7	Low	0 Å²	0	99.9 Å²	99.9	0%	0	48%	0.484	C	S	.	.	P	Polyproline II helix	trans	-72.6	127.6	167.4	-179.5	0	0	0	0	110.3	V575 C576 H577 K578 F580 L586 H589 H593	C573-V575 VanDerWaalsContact C-N 3.29Å; C573-V575 PolarHBondContact O-N 3.01Å; C573-V575 PolarHBondContact SG-N 3.36Å; C573-V575 VanDerWaalsContact SG-N 3.39Å; C573-C576 PolarHBondContact SG-N 2.97Å; C573-H577 WeakPolarHBondContact O-CA 3.42Å; C573-H577 PolarHBondContact O-N 2.96Å; C573-H577 PolarHBondContact O-ND1 3.49Å; C573-K578 PolarHBondContact N-O 3.28Å; C573-F580 HydrophobicContact CB-CE2 4.36Å; C573-L586 VanDerWaalsContact CA-CD1 3.45Å; C573-L586 HydrophobicContact CB-CD1 3.67Å; C573-H589 WeakPolarHBondContact CB-NE2 3.49Å; C573-H589 VanDerWaalsContact SG-CD2 3.59Å; C573-H589 PolarHBondContact SG-NE2 2.78Å; C573-H593 PolarHBondContact SG-CD2 3.27Å; C573-H593 PolarHBondContact SG-NE2 2.82Å
574	N	81.9	Confident	63.1	Low	124 Å²	124	97.2 Å²	97.2	66%	0.663	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-24.9	174.9	58.3	-15.3	0	0	0	113.5	H577	N574-H577 PolarHBondContact O-CE1 3.3Å
575	V	80.9	Confident	65.6	Low	88 Å²	88	94.9 Å²	94.9	53%	0.533	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-46.1	-179.1	-177.1	0	0	0	0	113.1	C573 H593	C573-V575 VanDerWaalsContact C-N 3.29Å; C573-V575 PolarHBondContact O-N 3.01Å; C573-V575 PolarHBondContact SG-N 3.36Å; C573-V575 VanDerWaalsContact SG-N 3.39Å; V575-H593 HydrophobicContact CB-CB 4.47Å; V575-H593 HydrophobicContact CG1-CB 4.38Å; V575-H593 HydrophobicContact CG2-CB 4.2Å
576	C	83	Confident	68.1	Low	45 Å²	45	89.5 Å²	89.5	30%	0.304	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.3	4.1	-175.1	79.2	0	0	0	0	114.8	C573 K578 H589	C573-C576 PolarHBondContact SG-N 2.97Å; C576-K578 PolarHBondContact O-N 3.32Å; C576-K578 VanDerWaalsContact SG-CG 3.53Å; C576-H589 PolarHBondContact SG-CE1 3.41Å; C576-H589 PolarHBondContact SG-NE2 3.25Å
577	H	77	Confident	70.9	Confident	131 Å²	131	88.8 Å²	88.8	61%	0.606	44%	0.444	S	S	*	.			trans	59.7	13.3	175.4	-49.5	-53.4	0	0	0	116	C573 N574	C573-H577 WeakPolarHBondContact O-CA 3.42Å; C573-H577 PolarHBondContact O-N 2.96Å; C573-H577 PolarHBondContact O-ND1 3.49Å; N574-H577 PolarHBondContact O-CE1 3.3Å
578	K	74.5	Confident	73.6	Confident	126 Å²	126	86.7 Å²	86.7	55%	0.548	44%	0.435	S	S	.	.			trans	-63.4	138.5	170.7	-73.4	178.6	-173.4	174.2	0	110.7	T572 C573 C576 F580	T572-K578 WeakPolarHBondContact CA-O 3.24Å; C573-K578 PolarHBondContact N-O 3.28Å; C576-K578 PolarHBondContact O-N 3.32Å; C576-K578 VanDerWaalsContact SG-CG 3.53Å; K578-F580 HydrophobicContact CB-CE2 3.6Å; K578-F580 HydrophobicContact CB-CZ 3.83Å; K578-F580 WeakPolarHBondContact O-CD2 3.4Å; K578-F580 WeakPolarHBondContact O-CE2 3.41Å
579	K	72.5	Confident	75.9	Confident	118 Å²	118	80.7 Å²	80.7	51%	0.513	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	132.1	-179.9	-68.3	-176.4	-177.7	-173	0	110.8	F570 T572	F570-K579 HydrophobicContact CB-CB 3.91Å; F570-K579 HydrophobicContact CB-CD 4.31Å; F570-K579 HydrophobicContact CB-CG 4.22Å; F570-K579 HydrophobicContact CD1-CB 4.02Å; F570-K579 HydrophobicContact CG-CB 4.03Å; F570-K579 HydrophobicContact CG-CD 4.39Å; T572-K579 HydrophobicContact CG2-CG 3.88Å
580	F	75.5	Confident	78	Confident	35 Å²	35	76.2 Å²	76.2	15%	0.154	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	135.1	179.6	-62.9	-86.6	0	0	0	110.3	Y571 C573 K578 R582 N585 L586 H589	Y571-F580 PolarHBondContact N-O 3.48Å; Y571-F580 PolarHBondContact O-N 3.21Å; C573-F580 HydrophobicContact CB-CE2 4.36Å; K578-F580 HydrophobicContact CB-CE2 3.6Å; K578-F580 HydrophobicContact CB-CZ 3.83Å; K578-F580 WeakPolarHBondContact O-CD2 3.4Å; K578-F580 WeakPolarHBondContact O-CE2 3.41Å; F580-R582 PolarHBondContact O-N 3.27Å; F580-R582 VanDerWaalsContact O-N 3.17Å; F580-N585 HydrophobicContact CB-CB 3.99Å; F580-N585 HydrophobicContact CD1-CB 3.91Å; F580-N585 HydrophobicContact CG-CB 4.29Å; F580-L586 HydrophobicContact CB-CB 4.1Å; F580-L586 HydrophobicContact CD2-CB 3.99Å; F580-L586 HydrophobicContact CD2-CD1 3.76Å; F580-L586 HydrophobicContact CE2-CD1 4.06Å; F580-L586 HydrophobicContact CG-CB 4.2Å; F580-H589 HydrophobicContact CD1-CB 4.49Å; F580-H589 HydrophobicContact CE1-CB 3.69Å; F580-H589 AromaticContact CE1-CG 3.99Å; F580-H589 HydrophobicContact CE2-CB 3.76Å; F580-H589 AromaticContact CE2-CD2 3.22Å; F580-H589 WeakPolarHBondContact CE2-CD2 3.08Å; F580-H589 AromaticContact CE2-CG 3.48Å; F580-H589 VanDerWaalsContact CE2-CG 3.48Å; F580-H589 AromaticContact CE2-NE2 3.93Å; F580-H589 HydrophobicContact CZ-CB 3.28Å; F580-H589 AromaticContact CZ-CD2 3.37Å; F580-H589 WeakPolarHBondContact CZ-CD2 3.49Å; F580-H589 AromaticContact CZ-CG 3.1Å; F580-H589 AromaticContact CZ-ND1 3.68Å
581	P	61	Low	79.3	Confident	58 Å²	58	75.4 Å²	75.4	38%	0.377	38%	0.378	S	S	.	.	S	Bend	trans	-72.7	-5.7	-177.1	28.8	-35.8	0	0	0	113.9	F565 F570	F565-P581 HydrophobicContact CE1-CB 4.01Å; F565-P581 HydrophobicContact CZ-CB 4.17Å; F570-P581 HydrophobicContact CD1-CB 4.47Å; F570-P581 HydrophobicContact CE1-CB 4.26Å
582	R	71.8	Confident	79.8	Confident	177 Å²	177	74.6 Å²	74.6	67%	0.668	39%	0.385	S	S	*	.	S	Bend	trans	-148	145.3	-179.2	-63	-176.2	-172.9	164	0.5	110.4	F580 A584 N585 L586	F580-R582 PolarHBondContact O-N 3.27Å; F580-R582 VanDerWaalsContact O-N 3.17Å; R582-A584 VanDerWaalsContact C-N 3.31Å; R582-A584 PolarHBondContact O-N 2.9Å; R582-N585 WeakPolarHBondContact O-CB 3.45Å; R582-N585 PolarHBondContact O-N 2.87Å; R582-L586 PolarHBondContact O-N 3.09Å
583	A	80.4	Confident	80.5	Confident	36 Å²	36	74.1 Å²	74.1	30%	0.298	38%	0.376	S	S	.	.	H	α-helix	trans	-55.2	-43.9	176.8	0	0	0	0	0	112.4	Y571 N585 L586 N587	Y571-A583 HydrophobicContact CD1-CB 3.84Å; Y571-A583 HydrophobicContact CD2-CB 4.39Å; Y571-A583 HydrophobicContact CE1-CB 3.52Å; Y571-A583 HydrophobicContact CE2-CB 4.13Å; Y571-A583 HydrophobicContact CG-CB 4.26Å; A583-N585 PolarHBondContact O-N 2.92Å; A583-L586 CarbonylContact O-C 3.51Å; A583-L586 WeakPolarHBondContact O-CA 3.14Å; A583-L586 WeakPolarHBondContact O-CB 3.48Å; A583-L586 PolarHBondContact O-N 3.19Å; A583-N587 PolarHBondContact O-N 3.22Å
584	A	83.7	Confident	80.6	Confident	67 Å²	67	77.7 Å²	77.7	55%	0.554	40%	0.398	S	S	*	.	H	α-helix	trans	-59.8	-32.3	178.3	0	0	0	0	0	113.2	R582 R588	R582-A584 VanDerWaalsContact C-N 3.31Å; R582-A584 PolarHBondContact O-N 2.9Å; A584-R588 VanDerWaalsContact O-CB 3.3Å; A584-R588 WeakPolarHBondContact O-CB 3.49Å; A584-R588 PolarHBondContact O-N 2.93Å
585	N	82.4	Confident	80.7	Confident	42 Å²	42	74.3 Å²	74.3	23%	0.225	39%	0.393	C	S	.	.	H	α-helix	trans	-74.3	-37.4	175.7	-72.8	1.6	0	0	0	111.3	F580 R582 A583 R588 H589	F580-N585 HydrophobicContact CB-CB 3.99Å; F580-N585 HydrophobicContact CD1-CB 3.91Å; F580-N585 HydrophobicContact CG-CB 4.29Å; R582-N585 WeakPolarHBondContact O-CB 3.45Å; R582-N585 PolarHBondContact O-N 2.87Å; A583-N585 PolarHBondContact O-N 2.92Å; N585-R588 PolarHBondContact OD1-NH2 2.92Å; N585-H589 WeakPolarHBondContact O-CB 3.28Å; N585-H589 PolarHBondContact O-N 3.07Å; N585-H589 VanDerWaalsContact O-N 3.07Å
586	L	83.9	Confident	80.8	Confident	18 Å²	18	75.3 Å²	75.3	9%	0.094	39%	0.392	C	S	.	.	H	α-helix	trans	-63.2	-50.5	171.7	171.5	61.8	0	0	0	110.7	T572 C573 F580 R582 A583 R588 H589 I590	T572-L586 WeakPolarHBondContact O-CD2 3.39Å; C573-L586 VanDerWaalsContact CA-CD1 3.45Å; C573-L586 HydrophobicContact CB-CD1 3.67Å; F580-L586 HydrophobicContact CB-CB 4.1Å; F580-L586 HydrophobicContact CD2-CB 3.99Å; F580-L586 HydrophobicContact CD2-CD1 3.76Å; F580-L586 HydrophobicContact CE2-CD1 4.06Å; F580-L586 HydrophobicContact CG-CB 4.2Å; R582-L586 PolarHBondContact O-N 3.09Å; A583-L586 CarbonylContact O-C 3.51Å; A583-L586 WeakPolarHBondContact O-CA 3.14Å; A583-L586 WeakPolarHBondContact O-CB 3.48Å; A583-L586 PolarHBondContact O-N 3.19Å; L586-R588 VanDerWaalsContact C-N 3.31Å; L586-R588 PolarHBondContact O-N 3.35Å; L586-H589 CarbonylContact O-C 3.49Å; L586-H589 WeakPolarHBondContact O-CA 3.29Å; L586-H589 VanDerWaalsContact O-CB 3.31Å; L586-H589 WeakPolarHBondContact O-CB 3.46Å; L586-H589 PolarHBondContact O-N 3.12Å; L586-I590 HydrophobicContact CD1-CD1 3.99Å; L586-I590 HydrophobicContact CD1-CG1 3.93Å; L586-I590 HydrophobicContact CD2-CD1 4.27Å; L586-I590 HydrophobicContact CG-CD1 3.81Å; L586-I590 HydrophobicContact CG-CG1 4.22Å; L586-I590 WeakPolarHBondContact O-CG1 3.5Å; L586-I590 PolarHBondContact O-N 3.28Å
587	N	85.4	Confident	81	Confident	93 Å²	93	77.9 Å²	77.9	50%	0.497	40%	0.399	S	S	.	.	H	α-helix	trans	-59.3	-42.6	-179.9	-70.6	-10.8	0	0	0	111.6	A583 H589 I590 R591	A583-N587 PolarHBondContact O-N 3.22Å; N587-H589 PolarHBondContact O-N 2.82Å; N587-I590 PolarHBondContact O-N 3.3Å; N587-R591 PolarHBondContact O-N 3.46Å
588	R	87	Confident	81.5	Confident	106 Å²	106	75.1 Å²	75.1	40%	0.4	39%	0.393	S	S	.	.	H	α-helix	trans	-61.1	-33.5	172.8	-176.5	171.9	66.7	-144.2	-9.5	112.7	A584 N585 L586 I610	A584-R588 VanDerWaalsContact O-CB 3.3Å; A584-R588 WeakPolarHBondContact O-CB 3.49Å; A584-R588 PolarHBondContact O-N 2.93Å; N585-R588 PolarHBondContact OD1-NH2 2.92Å; L586-R588 VanDerWaalsContact C-N 3.31Å; L586-R588 PolarHBondContact O-N 3.35Å; R588-I610 HydrophobicContact CG-CD1 3.94Å; R588-I610 HydrophobicContact CG-CG1 3.81Å
589	H	85.5	Confident	82.3	Confident	20 Å²	20	72.8 Å²	72.8	9%	0.093	38%	0.381	C	S	.	.	H	α-helix	trans	-76.7	-35.1	174.9	166.4	67	0	0	0	112.8	C573 C576 F580 N585 L586 N587 R591 T592 H593	C573-H589 WeakPolarHBondContact CB-NE2 3.49Å; C573-H589 VanDerWaalsContact SG-CD2 3.59Å; C573-H589 PolarHBondContact SG-NE2 2.78Å; C576-H589 PolarHBondContact SG-CE1 3.41Å; C576-H589 PolarHBondContact SG-NE2 3.25Å; F580-H589 HydrophobicContact CD1-CB 4.49Å; F580-H589 HydrophobicContact CE1-CB 3.69Å; F580-H589 AromaticContact CE1-CG 3.99Å; F580-H589 HydrophobicContact CE2-CB 3.76Å; F580-H589 AromaticContact CE2-CD2 3.22Å; F580-H589 WeakPolarHBondContact CE2-CD2 3.08Å; F580-H589 AromaticContact CE2-CG 3.48Å; F580-H589 VanDerWaalsContact CE2-CG 3.48Å; F580-H589 AromaticContact CE2-NE2 3.93Å; F580-H589 HydrophobicContact CZ-CB 3.28Å; F580-H589 AromaticContact CZ-CD2 3.37Å; F580-H589 WeakPolarHBondContact CZ-CD2 3.49Å; F580-H589 AromaticContact CZ-CG 3.1Å; F580-H589 AromaticContact CZ-ND1 3.68Å; N585-H589 WeakPolarHBondContact O-CB 3.28Å; N585-H589 PolarHBondContact O-N 3.07Å; N585-H589 VanDerWaalsContact O-N 3.07Å; L586-H589 CarbonylContact O-C 3.49Å; L586-H589 WeakPolarHBondContact O-CA 3.29Å; L586-H589 VanDerWaalsContact O-CB 3.31Å; L586-H589 WeakPolarHBondContact O-CB 3.46Å; L586-H589 PolarHBondContact O-N 3.12Å; N587-H589 PolarHBondContact O-N 2.82Å; H589-R591 PolarHBondContact O-N 3.39Å; H589-T592 PolarHBondContact ND1-OG1 3.04Å; H589-T592 WeakPolarHBondContact O-CB 3.16Å; H589-T592 PolarHBondContact O-N 3.23Å; H589-T592 PolarHBondContact O-OG1 3.43Å; H589-H593 AromaticContact CD2-NE2 3.94Å; H589-H593 AromaticContact CE1-CE1 3.96Å; H589-H593 AromaticContact CE1-NE2 3.31Å; H589-H593 PolarHBondContact CE1-NE2 3.44Å; H589-H593 VanDerWaalsContact CE1-NE2 3.31Å; H589-H593 AromaticContact NE2-CD2 3.85Å; H589-H593 AromaticContact NE2-NE2 3.03Å; H589-H593 PolarHBondContact NE2-NE2 2.84Å
590	I	85.9	Confident	83	Confident	48 Å²	48	72.7 Å²	72.7	25%	0.246	38%	0.383	C	S	.	.	H	α-helix	trans	-59.2	-33.8	175.9	-69.4	168.9	0	0	0	110.9	L586 N587 T592 H593 T594	L586-I590 HydrophobicContact CD1-CD1 3.99Å; L586-I590 HydrophobicContact CD1-CG1 3.93Å; L586-I590 HydrophobicContact CD2-CD1 4.27Å; L586-I590 HydrophobicContact CG-CD1 3.81Å; L586-I590 HydrophobicContact CG-CG1 4.22Å; L586-I590 WeakPolarHBondContact O-CG1 3.5Å; L586-I590 PolarHBondContact O-N 3.28Å; N587-I590 PolarHBondContact O-N 3.3Å; I590-T592 PolarHBondContact O-N 3.13Å; I590-H593 WeakPolarHBondContact O-CA 3.44Å; I590-H593 WeakPolarHBondContact O-CB 3.4Å; I590-H593 PolarHBondContact O-N 3.45Å; I590-T594 HydrophobicContact CG2-CG2 4.04Å; I590-T594 PolarHBondContact O-N 2.85Å
591	R	88.5	Confident	83.7	Confident	58 Å²	58	71.1 Å²	71.1	22%	0.219	38%	0.376	C	S	.	.	H	α-helix	trans	-57.4	-21	171.6	-63.6	179	-173.5	169.6	-0.5	114.5	N587 H589 H593 T594 G595 E596 Y599 S609	N587-R591 PolarHBondContact O-N 3.46Å; H589-R591 PolarHBondContact O-N 3.39Å; R591-H593 VanDerWaalsContact C-N 3.3Å; R591-T594 WeakPolarHBondContact CA-OG1 3.21Å; R591-G595 WeakPolarHBondContact O-CA 3.39Å; R591-G595 PolarHBondContact O-N 2.83Å; R591-E596 HydrophobicContact CG-CB 4.26Å; R591-Y599 VanDerWaalsContact NH1-CE2 3.29Å; R591-S609 WeakPolarHBondContact CD-O 3.26Å; R591-S609 PolarHBondContact NH1-O 3.02Å
592	T	83.9	Confident	85	Confident	95 Å²	95	73 Å²	73	58%	0.583	39%	0.388	S	S	*	.	H	α-helix	trans	-76.8	-18.6	173.2	70.1	0	0	0	0	113	H589 I590	H589-T592 PolarHBondContact ND1-OG1 3.04Å; H589-T592 WeakPolarHBondContact O-CB 3.16Å; H589-T592 PolarHBondContact O-N 3.23Å; H589-T592 PolarHBondContact O-OG1 3.43Å; I590-T592 PolarHBondContact O-N 3.13Å
593	H	84.4	Confident	85.7	Confident	71 Å²	71	70.3 Å²	70.3	33%	0.329	38%	0.383	S	S	.	.	H	α-helix	trans	-93	-41.4	173.1	-58	-58.6	0	0	0	111.6	C573 V575 H589 I590 R591	C573-H593 PolarHBondContact SG-CD2 3.27Å; C573-H593 PolarHBondContact SG-NE2 2.82Å; V575-H593 HydrophobicContact CB-CB 4.47Å; V575-H593 HydrophobicContact CG1-CB 4.38Å; V575-H593 HydrophobicContact CG2-CB 4.2Å; H589-H593 AromaticContact CD2-NE2 3.94Å; H589-H593 AromaticContact CE1-CE1 3.96Å; H589-H593 AromaticContact CE1-NE2 3.31Å; H589-H593 PolarHBondContact CE1-NE2 3.44Å; H589-H593 VanDerWaalsContact CE1-NE2 3.31Å; H589-H593 AromaticContact NE2-CD2 3.85Å; H589-H593 AromaticContact NE2-NE2 3.03Å; H589-H593 PolarHBondContact NE2-NE2 2.84Å; I590-H593 WeakPolarHBondContact O-CA 3.44Å; I590-H593 WeakPolarHBondContact O-CB 3.4Å; I590-H593 PolarHBondContact O-N 3.45Å; R591-H593 VanDerWaalsContact C-N 3.3Å
594	T	84	Confident	86.1	Confident	75 Å²	75	70.3 Å²	70.3	46%	0.46	38%	0.38	S	S	.	.	H	α-helix	trans	-80.2	-16.7	-178.9	61.7	0	0	0	0	113.6	I590 R591 E596	I590-T594 HydrophobicContact CG2-CG2 4.04Å; I590-T594 PolarHBondContact O-N 2.85Å; R591-T594 WeakPolarHBondContact CA-OG1 3.21Å; T594-E596 PolarHBondContact O-N 3.48Å; T594-E596 WeakPolarHBondContact OG1-CG 3.43Å; T594-E596 PolarHBondContact OG1-N 3.11Å
595	G	82.8	Confident	86.3	Confident	54 Å²	54	74 Å²	74	56%	0.557	39%	0.391	S	S	*	.			trans	72.3	4.3	-175	0	0	0	0	0	113.9	R591 Q597	R591-G595 WeakPolarHBondContact O-CA 3.39Å; R591-G595 PolarHBondContact O-N 2.83Å; G595-Q597 PolarHBondContact O-N 2.9Å
596	E	84.2	Confident	86.5	Confident	108 Å²	108	79.5 Å²	79.5	51%	0.505	41%	0.408	S	S	.	.			trans	-60.1	127.2	-179.5	-76.1	173.3	-161.7	0	0	112	R591 T594 P598	R591-E596 HydrophobicContact CG-CB 4.26Å; T594-E596 PolarHBondContact O-N 3.48Å; T594-E596 WeakPolarHBondContact OG1-CG 3.43Å; T594-E596 PolarHBondContact OG1-N 3.11Å; E596-P598 WeakPolarHBondContact O-CD 3.4Å
597	Q	86.7	Confident	86.7	Confident	99 Å²	99	82.4 Å²	82.4	46%	0.463	42%	0.423	S	S	.	.			trans	-123.5	76.1	175	-65.1	-172.4	-22.8	0	0	110.9	G595 Y599 L607 F608	G595-Q597 PolarHBondContact O-N 2.9Å; Q597-Y599 PolarHBondContact O-N 3.42Å; Q597-Y599 VanDerWaalsContact O-N 3.14Å; Q597-L607 HydrophobicContact CB-CB 3.56Å; Q597-L607 PolarHBondContact OE1-O 2.97Å; Q597-F608 CarbonylContact C-O 3.32Å; Q597-F608 VanDerWaalsContact C-O 3.27Å; Q597-F608 WeakPolarHBondContact CA-O 3.39Å
598	P	88.4	Confident	86.8	Confident	73 Å²	73	79.6 Å²	79.6	47%	0.474	41%	0.407	S	S	.	.			trans	-70.2	-11.4	-169.9	-20.7	34.2	0	0	0	115.5	E596	E596-P598 WeakPolarHBondContact O-CD 3.4Å
599	Y	89.9	Confident	86.8	Confident	77 Å²	77	76.1 Å²	76.1	30%	0.302	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	106.8	-172.5	-54.3	-75.2	0	0	0	111	R591 Q597 L607 F608	R591-Y599 VanDerWaalsContact NH1-CE2 3.29Å; Q597-Y599 PolarHBondContact O-N 3.42Å; Q597-Y599 VanDerWaalsContact O-N 3.14Å; Y599-L607 CarbonylContact O-C 3.57Å; Y599-L607 WeakPolarHBondContact O-CA 3.13Å; Y599-F608 WeakPolarHBondContact CD2-O 3.27Å; Y599-F608 PolarHBondContact N-O 3.41Å; Y599-F608 VanDerWaalsContact N-O 3.08Å; Y599-F608 PolarHBondContact O-N 3.27Å
600	Q	88	Confident	86.9	Confident	116 Å²	116	77.1 Å²	77.1	54%	0.542	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	139.8	175.5	-173.3	175.7	-4.1	0	0	111.4	L607	Q600-L607 HydrophobicContact CB-CD2 3.57Å; Q600-L607 HydrophobicContact CG-CD2 3.8Å
601	C	90.9	Very high	87.1	Confident	3 Å²	3	76.7 Å²	76.7	2%	0.02	41%	0.406	C	S	.	.			trans	-68.3	133.5	170.1	179.8	0	0	0	0	110.7	H603 C604 R606 F608 H617 H622	C601-H603 PolarHBondContact O-N 2.72Å; C601-H603 PolarHBondContact SG-N 3.44Å; C601-H603 VanDerWaalsContact SG-N 3.39Å; C601-C604 WeakPolarHBondContact CB-O 3.3Å; C601-R606 PolarHBondContact N-O 2.88Å; C601-F608 HydrophobicContact CB-CE2 4.27Å; C601-H617 PolarHBondContact SG-CD2 3Å; C601-H617 PolarHBondContact SG-NE2 3.43Å; C601-H617 VanDerWaalsContact SG-NE2 3.38Å; C601-H622 VanDerWaalsContact SG-CD2 3.55Å; C601-H622 PolarHBondContact SG-NE2 3.5Å; C601-H622 VanDerWaalsContact SG-NE2 3.43Å
602	P	87.7	Confident	87.2	Confident	96 Å²	96	77.2 Å²	77.2	62%	0.623	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-10.4	177.2	26.4	-34.4	0	0	0	114.4	V618	P602-V618 HydrophobicContact CG-CG2 4.17Å
603	H	87.2	Confident	87.5	Confident	122 Å²	122	75 Å²	75	57%	0.565	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119	-4.1	-176.3	-57.7	-61.7	0	0	0	113.6	C601 H622	C601-H603 PolarHBondContact O-N 2.72Å; C601-H603 PolarHBondContact SG-N 3.44Å; C601-H603 VanDerWaalsContact SG-N 3.39Å; H603-H622 HydrophobicContact CB-CB 4.34Å; H603-H622 WeakPolarHBondContact CB-CE1 3.49Å; H603-H622 VanDerWaalsContact CB-ND1 3.33Å; H603-H622 WeakPolarHBondContact CB-ND1 3.35Å; H603-H622 AromaticContact CD2-CG 3.76Å; H603-H622 AromaticContact CG-CG 3.93Å
604	C	88.6	Confident	87.8	Confident	35 Å²	35	73.1 Å²	73.1	24%	0.236	40%	0.395	C	S	.	.	S	Bend	trans	-157.9	166.4	173.4	72.6	0	0	0	0	111.6	C601 R606 H617	C601-C604 WeakPolarHBondContact CB-O 3.3Å; C604-R606 PolarHBondContact O-N 3.35Å; C604-H617 PolarHBondContact SG-NE2 3.37Å
605	D	87.1	Confident	88	Confident	144 Å²	144	74.2 Å²	74.2	77%	0.77	39%	0.394	S	S	*	.	S	Bend	trans	-76.4	12.8	-175.2	-53.8	-43.3	0	0	0	114.5	L607	D605-L607 PolarHBondContact O-N 3.47Å
606	R	86.1	Confident	88.3	Confident	158 Å²	158	78.1 Å²	78.1	60%	0.596	39%	0.393	S	S	*	.			trans	-74.7	123.8	179.5	-72.1	-170.2	179.7	-161	1.4	111.3	C601 C604 F608	C601-R606 PolarHBondContact N-O 2.88Å; C604-R606 PolarHBondContact O-N 3.35Å; R606-F608 HydrophobicContact CB-CE2 3.66Å; R606-F608 HydrophobicContact CB-CZ 3.89Å; R606-F608 WeakPolarHBondContact O-CE2 3.5Å
607	L	88.9	Confident	88.6	Confident	79 Å²	79	73.8 Å²	73.8	41%	0.414	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	147.1	171.3	-57.8	178.2	0	0	0	111	Q597 Y599 Q600 D605	Q597-L607 HydrophobicContact CB-CB 3.56Å; Q597-L607 PolarHBondContact OE1-O 2.97Å; Y599-L607 CarbonylContact O-C 3.57Å; Y599-L607 WeakPolarHBondContact O-CA 3.13Å; Q600-L607 HydrophobicContact CB-CD2 3.57Å; Q600-L607 HydrophobicContact CG-CD2 3.8Å; D605-L607 PolarHBondContact O-N 3.47Å
608	F	87.1	Confident	88.7	Confident	35 Å²	35	70.7 Å²	70.7	15%	0.154	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	142.9	-179.8	-60.4	-93.2	0	0	0	110.7	Q597 Y599 C601 R606 I610 N613 M614 H617	Q597-F608 CarbonylContact C-O 3.32Å; Q597-F608 VanDerWaalsContact C-O 3.27Å; Q597-F608 WeakPolarHBondContact CA-O 3.39Å; Y599-F608 WeakPolarHBondContact CD2-O 3.27Å; Y599-F608 PolarHBondContact N-O 3.41Å; Y599-F608 VanDerWaalsContact N-O 3.08Å; Y599-F608 PolarHBondContact O-N 3.27Å; C601-F608 HydrophobicContact CB-CE2 4.27Å; R606-F608 HydrophobicContact CB-CE2 3.66Å; R606-F608 HydrophobicContact CB-CZ 3.89Å; R606-F608 WeakPolarHBondContact O-CE2 3.5Å; F608-I610 VanDerWaalsContact C-N 3.27Å; F608-I610 PolarHBondContact O-N 3.19Å; F608-N613 HydrophobicContact CD1-CB 3.92Å; F608-M614 HydrophobicContact CB-CB 4Å; F608-M614 HydrophobicContact CD2-CB 3.52Å; F608-M614 HydrophobicContact CD2-CG 3.85Å; F608-M614 HydrophobicContact CE2-CB 4.21Å; F608-M614 HydrophobicContact CE2-CG 4.28Å; F608-M614 HydrophobicContact CG-CB 3.82Å; F608-H617 HydrophobicContact CE1-CB 3.83Å; F608-H617 HydrophobicContact CE2-CB 4.05Å; F608-H617 AromaticContact CE2-CD2 3.67Å; F608-H617 AromaticContact CE2-CG 3.89Å; F608-H617 HydrophobicContact CZ-CB 3.35Å; F608-H617 AromaticContact CZ-CD2 3.56Å; F608-H617 AromaticContact CZ-CG 3.3Å; F608-H617 AromaticContact CZ-ND1 3.9Å
609	S	86.5	Confident	88.6	Confident	32 Å²	32	74.3 Å²	74.3	22%	0.224	36%	0.364	C	S	.	.	S	Bend	trans	-74.9	-15.1	175	56.8	0	0	0	0	113.9	R591	R591-S609 WeakPolarHBondContact CD-O 3.26Å; R591-S609 PolarHBondContact NH1-O 3.02Å
610	I	89	Confident	88.5	Confident	42 Å²	42	74 Å²	74	22%	0.215	37%	0.368	C	S	.	.	S	Bend	trans	-138.7	128.7	-175.3	-49.1	167.3	0	0	0	110.1	R588 F608 S612 N613 M614	R588-I610 HydrophobicContact CG-CD1 3.94Å; R588-I610 HydrophobicContact CG-CG1 3.81Å; F608-I610 VanDerWaalsContact C-N 3.27Å; F608-I610 PolarHBondContact O-N 3.19Å; I610-S612 VanDerWaalsContact C-N 3.3Å; I610-S612 VanDerWaalsContact CG2-OG 3.32Å; I610-S612 WeakPolarHBondContact CG2-OG 3.08Å; I610-S612 PolarHBondContact O-N 3.41Å; I610-N613 HydrophobicContact CB-CB 4.48Å; I610-N613 WeakPolarHBondContact O-CB 3.47Å; I610-N613 PolarHBondContact O-N 3.32Å; I610-M614 PolarHBondContact O-N 3.13Å
611	S	90	Very high	88.4	Confident	39 Å²	39	72.9 Å²	72.9	27%	0.273	37%	0.365	S	S	.	.	H	α-helix	trans	-55.8	-39.8	-179.9	173	0	0	0	0	113.2	N613 M614 Q615	S611-N613 VanDerWaalsContact C-N 3.25Å; S611-N613 PolarHBondContact O-N 2.97Å; S611-M614 WeakPolarHBondContact O-CB 3.45Å; S611-M614 PolarHBondContact O-N 2.84Å; S611-M614 VanDerWaalsContact O-N 3.16Å; S611-Q615 WeakPolarHBondContact O-CG 3.33Å; S611-Q615 PolarHBondContact O-N 3.07Å
612	S	90	Very high	88.1	Confident	69 Å²	69	75.5 Å²	75.5	48%	0.483	38%	0.376	S	S	.	.	H	α-helix	trans	-64.1	-28.8	178	60.4	0	0	0	0	113.4	I610 R616	I610-S612 VanDerWaalsContact C-N 3.3Å; I610-S612 VanDerWaalsContact CG2-OG 3.32Å; I610-S612 WeakPolarHBondContact CG2-OG 3.08Å; I610-S612 PolarHBondContact O-N 3.41Å; S612-R616 VanDerWaalsContact O-CB 3.3Å; S612-R616 WeakPolarHBondContact O-CB 3.36Å; S612-R616 PolarHBondContact O-N 3.44Å
613	N	89.7	Confident	87.3	Confident	49 Å²	49	74 Å²	74	26%	0.262	37%	0.369	S	S	.	.	H	α-helix	trans	-73.3	-41.9	173.6	-76.4	-21.3	0	0	0	111.4	F608 I610 S611 R616 H617	F608-N613 HydrophobicContact CD1-CB 3.92Å; I610-N613 HydrophobicContact CB-CB 4.48Å; I610-N613 WeakPolarHBondContact O-CB 3.47Å; I610-N613 PolarHBondContact O-N 3.32Å; S611-N613 VanDerWaalsContact C-N 3.25Å; S611-N613 PolarHBondContact O-N 2.97Å; N613-R616 PolarHBondContact O-N 2.79Å; N613-R616 PolarHBondContact OD1-NH2 3.45Å; N613-H617 WeakPolarHBondContact O-CB 3.26Å; N613-H617 PolarHBondContact O-N 3.14Å
614	M	91.7	Very high	85.8	Confident	30 Å²	30	76.5 Å²	76.5	15%	0.148	37%	0.373	C	S	.	.	H	α-helix	trans	-60.4	-47.7	172.5	179	-143.8	69.2	0	0	111	F608 I610 S611 R616 H617 V618	F608-M614 HydrophobicContact CB-CB 4Å; F608-M614 HydrophobicContact CD2-CB 3.52Å; F608-M614 HydrophobicContact CD2-CG 3.85Å; F608-M614 HydrophobicContact CE2-CB 4.21Å; F608-M614 HydrophobicContact CE2-CG 4.28Å; F608-M614 HydrophobicContact CG-CB 3.82Å; I610-M614 PolarHBondContact O-N 3.13Å; S611-M614 WeakPolarHBondContact O-CB 3.45Å; S611-M614 PolarHBondContact O-N 2.84Å; S611-M614 VanDerWaalsContact O-N 3.16Å; M614-R616 VanDerWaalsContact C-N 3.34Å; M614-R616 PolarHBondContact O-N 3.23Å; M614-H617 CarbonylContact O-C 3.56Å; M614-H617 WeakPolarHBondContact O-CA 2.66Å; M614-H617 WeakPolarHBondContact O-CB 3.26Å; M614-H617 PolarHBondContact O-N 3.49Å; M614-H617 VanDerWaalsContact O-N 3.09Å; M614-V618 WeakPolarHBondContact O-CG2 3.44Å; M614-V618 PolarHBondContact O-N 3.24Å
615	Q	88.7	Confident	83.8	Confident	98 Å²	98	81.5 Å²	81.5	46%	0.458	40%	0.397	S	S	.	.	H	α-helix	trans	-61.2	-40.6	176.4	-73.3	-176.6	-12.8	0	0	112.5	S611 H617 V618 R619	S611-Q615 WeakPolarHBondContact O-CG 3.33Å; S611-Q615 PolarHBondContact O-N 3.07Å; Q615-H617 VanDerWaalsContact C-N 3.31Å; Q615-V618 PolarHBondContact O-N 2.9Å; Q615-R619 WeakPolarHBondContact O-CB 3.27Å; Q615-R619 PolarHBondContact O-N 3.1Å
616	R	88.7	Confident	81.7	Confident	137 Å²	137	81.4 Å²	81.4	52%	0.517	40%	0.397	S	S	.	.	H	α-helix	trans	-63.8	-38.8	174.1	179.6	176.7	62	138.2	-0.7	111.2	S612 N613 M614 R619 N620	S612-R616 VanDerWaalsContact O-CB 3.3Å; S612-R616 WeakPolarHBondContact O-CB 3.36Å; S612-R616 PolarHBondContact O-N 3.44Å; N613-R616 PolarHBondContact O-N 2.79Å; N613-R616 PolarHBondContact OD1-NH2 3.45Å; M614-R616 VanDerWaalsContact C-N 3.34Å; M614-R616 PolarHBondContact O-N 3.23Å; R616-R619 PolarHBondContact O-N 3.46Å; R616-N620 WeakPolarHBondContact CG-ND2 3.18Å; R616-N620 WeakPolarHBondContact O-CB 3.46Å; R616-N620 PolarHBondContact O-N 3.18Å; R616-N620 PolarHBondContact O-OD1 3.45Å
617	H	89.6	Confident	79.5	Confident	16 Å²	16	81.3 Å²	81.3	7%	0.074	41%	0.407	C	S	.	.	H	α-helix	trans	-64.1	-48	174.8	163.4	76.9	0	0	0	111.5	C601 C604 F608 N613 M614 Q615 R619 N620 I621 H622	C601-H617 PolarHBondContact SG-CD2 3Å; C601-H617 PolarHBondContact SG-NE2 3.43Å; C601-H617 VanDerWaalsContact SG-NE2 3.38Å; C604-H617 PolarHBondContact SG-NE2 3.37Å; F608-H617 HydrophobicContact CE1-CB 3.83Å; F608-H617 HydrophobicContact CE2-CB 4.05Å; F608-H617 AromaticContact CE2-CD2 3.67Å; F608-H617 AromaticContact CE2-CG 3.89Å; F608-H617 HydrophobicContact CZ-CB 3.35Å; F608-H617 AromaticContact CZ-CD2 3.56Å; F608-H617 AromaticContact CZ-CG 3.3Å; F608-H617 AromaticContact CZ-ND1 3.9Å; N613-H617 WeakPolarHBondContact O-CB 3.26Å; N613-H617 PolarHBondContact O-N 3.14Å; M614-H617 CarbonylContact O-C 3.56Å; M614-H617 WeakPolarHBondContact O-CA 2.66Å; M614-H617 WeakPolarHBondContact O-CB 3.26Å; M614-H617 PolarHBondContact O-N 3.49Å; M614-H617 VanDerWaalsContact O-N 3.09Å; Q615-H617 VanDerWaalsContact C-N 3.31Å; H617-R619 VanDerWaalsContact C-N 3.32Å; H617-R619 PolarHBondContact O-N 2.88Å; H617-N620 PolarHBondContact O-N 3.25Å; H617-I621 WeakPolarHBondContact ND1-CG1 3.35Å; H617-I621 WeakPolarHBondContact O-CB 3.24Å; H617-I621 PolarHBondContact O-N 3.04Å; H617-H622 AromaticContact CE1-NE2 3.77Å; H617-H622 AromaticContact NE2-CD2 3.65Å; H617-H622 AromaticContact NE2-NE2 3.23Å; H617-H622 PolarHBondContact NE2-NE2 3.46Å
618	V	88.8	Confident	76.9	Confident	35 Å²	35	87 Å²	87	21%	0.212	43%	0.429	C	S	.	.	I	π-helix	trans	-54.9	-48.6	173.3	174.4	0	0	0	0	110.9	P602 M614 Q615 N620 H622 S623	P602-V618 HydrophobicContact CG-CG2 4.17Å; M614-V618 WeakPolarHBondContact O-CG2 3.44Å; M614-V618 PolarHBondContact O-N 3.24Å; Q615-V618 PolarHBondContact O-N 2.9Å; V618-N620 PolarHBondContact O-N 3.42Å; V618-H622 CarbonylContact O-C 3.27Å; V618-H622 WeakPolarHBondContact O-CA 3.48Å; V618-H622 WeakPolarHBondContact O-CB 3.32Å; V618-H622 PolarHBondContact O-N 3.48Å; V618-S623 PolarHBondContact O-N 2.94Å
619	R	87.6	Confident	74.5	Confident	148 Å²	148	92.9 Å²	92.9	56%	0.558	46%	0.46	S	S	*	.	I	π-helix	trans	-66.7	-33.6	-179.6	-159.5	-175	-55.9	118.1	3.8	113.6	Q615 R616 H617 S623	Q615-R619 WeakPolarHBondContact O-CB 3.27Å; Q615-R619 PolarHBondContact O-N 3.1Å; R616-R619 PolarHBondContact O-N 3.46Å; H617-R619 VanDerWaalsContact C-N 3.32Å; H617-R619 PolarHBondContact O-N 2.88Å; R619-S623 WeakPolarHBondContact O-CB 3.19Å
620	N	87.2	Confident	72	Confident	71 Å²	71	100.9 Å²	100.9	38%	0.38	49%	0.491	S	S	.	.	I	π-helix	trans	-94.7	-29.7	-173.1	-69.6	-2.2	0	0	0	113.8	R616 H617 V618 R624	R616-N620 WeakPolarHBondContact CG-ND2 3.18Å; R616-N620 WeakPolarHBondContact O-CB 3.46Å; R616-N620 PolarHBondContact O-N 3.18Å; R616-N620 PolarHBondContact O-OD1 3.45Å; H617-N620 PolarHBondContact O-N 3.25Å; V618-N620 PolarHBondContact O-N 3.42Å; N620-R624 WeakPolarHBondContact O-CD 3.47Å; N620-R624 WeakPolarHBondContact O-CG 3.49Å; N620-R624 PolarHBondContact O-NH1 3.21Å
621	I	86.1	Confident	69.3	Low	93 Å²	93	106.6 Å²	106.6	48%	0.477	52%	0.522	S	S	.	.	I	π-helix	trans	-100.8	-50	-176.4	-56.2	-56.7	0	0	0	109.9	H617	H617-I621 WeakPolarHBondContact ND1-CG1 3.35Å; H617-I621 WeakPolarHBondContact O-CB 3.24Å; H617-I621 PolarHBondContact O-N 3.04Å
622	H	84	Confident	66.6	Low	57 Å²	57	110.3 Å²	110.3	26%	0.264	55%	0.548	S	S	.	.	I	π-helix	trans	-87.8	-28.7	-174.7	-60.5	-70.1	0	0	0	113.2	C601 H603 H617 V618 R624	C601-H622 VanDerWaalsContact SG-CD2 3.55Å; C601-H622 PolarHBondContact SG-NE2 3.5Å; C601-H622 VanDerWaalsContact SG-NE2 3.43Å; H603-H622 HydrophobicContact CB-CB 4.34Å; H603-H622 WeakPolarHBondContact CB-CE1 3.49Å; H603-H622 VanDerWaalsContact CB-ND1 3.33Å; H603-H622 WeakPolarHBondContact CB-ND1 3.35Å; H603-H622 AromaticContact CD2-CG 3.76Å; H603-H622 AromaticContact CG-CG 3.93Å; H617-H622 AromaticContact CE1-NE2 3.77Å; H617-H622 AromaticContact NE2-CD2 3.65Å; H617-H622 AromaticContact NE2-NE2 3.23Å; H617-H622 PolarHBondContact NE2-NE2 3.46Å; V618-H622 CarbonylContact O-C 3.27Å; V618-H622 WeakPolarHBondContact O-CA 3.48Å; V618-H622 WeakPolarHBondContact O-CB 3.32Å; V618-H622 PolarHBondContact O-N 3.48Å; H622-R624 VanDerWaalsContact C-N 3.31Å; H622-R624 PolarHBondContact O-N 2.92Å
623	S	70.9	Confident	64.4	Low	66 Å²	66	120.6 Å²	120.6	46%	0.462	58%	0.584	S	S	.	*	G	3₁₀ helix	trans	-81	-4.4	177.1	-157.3	0	0	0	0	114.5	V618 R619 N625	V618-S623 PolarHBondContact O-N 2.94Å; R619-S623 WeakPolarHBondContact O-CB 3.19Å; S623-N625 PolarHBondContact O-N 2.8Å
624	R	54.7	Low	63.1	Low	174 Å²	174	124.2 Å²	124.2	66%	0.657	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-71.4	-5.7	-176.3	-102	-173.1	179	123.7	-11.5	114.6	N620 H622 N626	N620-R624 WeakPolarHBondContact O-CD 3.47Å; N620-R624 WeakPolarHBondContact O-CG 3.49Å; N620-R624 PolarHBondContact O-NH1 3.21Å; H622-R624 VanDerWaalsContact C-N 3.31Å; H622-R624 PolarHBondContact O-N 2.92Å; R624-N626 PolarHBondContact O-N 3.47Å
625	N	48.4	Very low	61.6	Low	140 Å²	140	129.1 Å²	129.1	75%	0.749	62%	0.624	S	S	*	*	G	3₁₀ helix	trans	-79.6	4.2	177.8	-70.1	-4.7	0	0	0	114.7	S623	S623-N625 PolarHBondContact O-N 2.8Å
626	N	41.3	Very low	60.1	Low	142 Å²	142	130.8 Å²	130.8	76%	0.759	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-118.5	18.6	-176.7	-77.9	-12.8	0	0	0	116.1	R624	R624-N626 PolarHBondContact O-N 3.47Å
627	L	40.6	Very low	58.4	Low	155 Å²	155	130.5 Å²	130.5	81%	0.812	64%	0.64	S	S	*	*	S	Bend	trans	-130.2	14.6	179.5	-78.9	168.7	0	0	0	116.1
628	F	34.4	Very low	56.5	Low	200 Å²	200	137.6 Å²	137.6	88%	0.877	68%	0.675	S	S	*	*	S	Bend	trans	-137.8	55.8	174.1	-73.7	-81.2	0	0	0	112.3
629	I	35.8	Very low	54.3	Low	157 Å²	157	144.5 Å²	144.5	81%	0.805	71%	0.706	S	S	*	*			trans	-146.8	85.7	158.7	-52.3	178.8	0	0	0	107
630	K	34.9	Very low	52	Low	200 Å²	200	144.2 Å²	144.2	87%	0.87	72%	0.717	S	S	*	*	S	Bend	trans	-177.9	63.9	157.1	-103.1	177.4	-173	-172.7	0	107.5
631	D	33.1	Very low	49.3	Very low	163 Å²	163	149.8 Å²	149.8	87%	0.872	74%	0.742	S	S	*	*	S	Bend	trans	-159.8	79.4	160.2	-83.2	-31.7	0	0	0	105.9
632	S	32.4	Very low	46.2	Very low	116 Å²	116	154.6 Å²	154.6	81%	0.811	77%	0.765	S	S	*	*			trans	174.6	75.8	162.2	36.9	0	0	0	0	109.6
633	K	43.5	Very low	42.7	Very low	285 Å²	285	163.5 Å²	163.5	100%	1.239	81%	0.81	S	S	*	*			trans	-165.9	0	140.1	-108.3	-178.7	-175.8	-174.8	0	109.1

Retrieved 633 of 633 residues in 147.2 ms (Link to these results)

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