A0A087YIF7_POEFO Loading...

Trifunctional enzyme subunit alpha, mitochondrial

AlphaFold DB , UniProt , Accession A0A087YIF7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 763 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	34.7	Very low	30.2	Very low	245 Å²	245	131.6 Å²	131.6	100%	1.207	79%	0.794	S	S	*	*				0	130.4	0	-66.4	-160.8	-84.3	0	0	108.3
2	A	27.6	Very low	30	Very low	105 Å²	105	139.1 Å²	139.1	87%	0.868	80%	0.797	S	S	*	*			cis	172.1	138.3	-24.6	0	0	0	0	0	104.5
3	G	31.7	Very low	30.1	Very low	70 Å²	70	140.9 Å²	140.9	72%	0.722	80%	0.802	S	S	*	*			trans	116.8	78.7	172.3	0	0	0	0	0	112.5
4	V	33.8	Very low	30	Very low	130 Å²	130	139.4 Å²	139.4	79%	0.788	80%	0.804	S	S	*	*				60.3	108.9	57.9	-163.4	0	0	0	0	113.4
5	R	29.1	Very low	30.2	Very low	241 Å²	241	139.3 Å²	139.3	91%	0.909	81%	0.807	S	S	*	*				162.3	143.3	114.7	-86.8	-173.7	179.5	174.3	-0.6	109.8
6	A	32.9	Very low	30.1	Very low	74 Å²	74	146.8 Å²	146.8	61%	0.612	82%	0.818	S	S	*	*			cis	176.1	144.8	-22.9	0	0	0	0	0	107.2
7	L	31.3	Very low	30	Very low	169 Å²	169	150.5 Å²	150.5	89%	0.885	82%	0.816	S	S	*	*			trans	64.5	137.7	147	-63.9	156.5	0	0	0	117.6
8	G	27.9	Very low	29.9	Very low	68 Å²	68	153.3 Å²	153.3	70%	0.701	82%	0.815	S	S	*	*			cis	167.4	177.7	20	0	0	0	0	0	105.9
9	V	28	Very low	29.7	Very low	114 Å²	114	149.3 Å²	149.3	69%	0.691	81%	0.806	S	S	*	*			cis	176.6	139.2	11	122.4	0	0	0	0	105.4
10	L	29.1	Very low	29.6	Very low	154 Å²	154	149.3 Å²	149.3	81%	0.806	80%	0.804	S	S	*	*			trans	61.4	157.4	148.6	-64.2	172.2	0	0	0	120.5
11	S	26.9	Very low	29.5	Very low	78 Å²	78	149.7 Å²	149.7	55%	0.545	81%	0.805	S	S	.	*			cis	175	168.4	-25.7	60	0	0	0	0	106.9
12	R	27.8	Very low	29.3	Very low	221 Å²	221	143.3 Å²	143.3	83%	0.834	79%	0.785	S	S	*	*			trans	93.4	106.9	162.9	-61.2	172.4	-178.6	-154.1	-2.2	115.7
13	L	30.3	Very low	29.4	Very low	163 Å²	163	141.8 Å²	141.8	85%	0.853	78%	0.779	S	S	*	*				68.6	103.1	73.3	-74.4	165.3	0	0	0	113.2
14	S	29.4	Very low	29.3	Very low	120 Å²	120	143.7 Å²	143.7	84%	0.839	78%	0.782	S	S	*	*				-160.9	120.4	128.7	70.3	0	0	0	0	110.8
15	T	33.1	Very low	29.1	Very low	138 Å²	138	143.8 Å²	143.8	85%	0.847	78%	0.782	S	S	*	*			trans	-81.1	132.2	165.6	32	0	0	0	0	109.9
16	R	29.2	Very low	29.2	Very low	258 Å²	258	141.3 Å²	141.3	97%	0.974	78%	0.779	S	S	*	*			trans	-146.8	143.9	152.8	-119.4	179.5	-177.4	-175.4	0.7	110.1
17	R	28.3	Very low	29.2	Very low	210 Å²	210	148.7 Å²	148.7	79%	0.792	79%	0.791	S	S	*	*			trans	-105.1	145.6	-153.1	-110.5	178.5	174.3	-174.6	0.9	112
18	Y	27.6	Very low	29	Very low	201 Å²	201	146.6 Å²	146.6	79%	0.788	79%	0.785	S	S	*	*			trans	69.9	141	151.9	-71.3	-65.3	0	0	0	118.8
19	A	26.1	Very low	29.2	Very low	78 Å²	78	152.6 Å²	152.6	65%	0.645	79%	0.792	S	S	*	*			cis	-163.3	165.9	5.1	0	0	0	0	0	111.3
20	L	26.7	Very low	29.3	Very low	149 Å²	149	152.5 Å²	152.5	78%	0.78	80%	0.796	S	S	*	*			trans	124	118.6	140.3	-75.1	155.2	0	0	0	117.4
21	L	29.3	Very low	29.6	Very low	157 Å²	157	151.3 Å²	151.3	82%	0.822	80%	0.795	S	S	*	*			trans	73.5	134.3	149.6	-57.8	158	0	0	0	115
22	S	29.9	Very low	29.8	Very low	112 Å²	112	150.9 Å²	150.9	78%	0.783	80%	0.796	S	S	*	*			cis	-173	146.6	14.1	49.8	0	0	0	0	108.4
23	G	28.8	Very low	30.2	Very low	72 Å²	72	146.3 Å²	146.3	74%	0.742	80%	0.795	S	S	*	*			trans	76	85.5	149.2	0	0	0	0	0	117.5	T25	G23-T25 PolarHBondContact O-N 3.34Å
24	S	30.3	Very low	30.6	Very low	111 Å²	111	143 Å²	143	78%	0.776	79%	0.792	S	S	*	*			trans	-75.3	104.9	155.3	57.8	0	0	0	0	109.7
25	T	30.1	Very low	31.2	Very low	131 Å²	131	144.1 Å²	144.1	80%	0.804	79%	0.785	S	S	*	*			trans	-114.3	100.9	156.4	4.2	0	0	0	0	107.3	G23 R27	G23-T25 PolarHBondContact O-N 3.34Å; T25-R27 PolarHBondContact O-N 3.31Å
26	F	31.1	Very low	32	Very low	189 Å²	189	145.2 Å²	145.2	83%	0.829	79%	0.785	S	S	*	*			trans	-55.9	106.6	167	-86.9	-95.8	0	0	0	108.5	T28	F26-T28 PolarHBondContact O-N 3.02Å
27	R	31.3	Very low	34.1	Very low	230 Å²	230	137 Å²	137	87%	0.868	77%	0.772	S	S	*	*			trans	-82.2	94.1	155.8	-79.4	-171.6	179.1	-167	0.2	106.7	T25 F29	T25-R27 PolarHBondContact O-N 3.31Å; R27-F29 PolarHBondContact O-N 2.92Å
28	T	28.3	Very low	36.9	Very low	125 Å²	125	129.5 Å²	129.5	77%	0.767	74%	0.744	S	S	*	*			trans	-52	107.1	156.6	32.2	0	0	0	0	107.8	F26 S30	F26-T28 PolarHBondContact O-N 3.02Å; T28-S30 PolarHBondContact O-N 3.03Å
29	F	31.8	Very low	40	Very low	194 Å²	194	123.6 Å²	123.6	85%	0.851	73%	0.729	S	S	*	*			trans	-61.8	95.7	157.8	-81.2	-89.3	0	0	0	106.1	R27 V31	R27-F29 PolarHBondContact O-N 2.92Å; F29-V31 PolarHBondContact O-N 2.9Å
30	S	29.2	Very low	43.2	Very low	111 Å²	111	120.5 Å²	120.5	78%	0.776	70%	0.701	S	S	*	*			trans	-66.1	91.8	160.8	-177.2	0	0	0	0	105.9	T28 A32	T28-S30 PolarHBondContact O-N 3.03Å; S30-A32 VanDerWaalsContact C-N 3.26Å; S30-A32 PolarHBondContact O-N 3.05Å
31	V	35.3	Very low	46.5	Very low	130 Å²	130	113.5 Å²	113.5	79%	0.788	66%	0.664	S	S	*	*			trans	-68.9	98.6	161.7	-177.3	0	0	0	0	104.3	F29	F29-V31 PolarHBondContact O-N 2.9Å
32	A	32.2	Very low	49.7	Very low	68 Å²	68	109.6 Å²	109.6	56%	0.562	64%	0.644	S	S	*	*			trans	-52.4	141.8	171.3	0	0	0	0	0	109.1	S30 A34	S30-A32 VanDerWaalsContact C-N 3.26Å; S30-A32 PolarHBondContact O-N 3.05Å; A32-A34 PolarHBondContact O-N 3.27Å
33	P	36.1	Very low	52.8	Low	125 Å²	125	107.7 Å²	107.7	81%	0.812	62%	0.621	S	S	*	*	S	Bend	trans	-63.1	126.5	-176.1	27	-32	0	0	0	109.2	M35	P33-M35 PolarHBondContact O-N 3.08Å; P33-M35 VanDerWaalsContact O-N 3.09Å
34	A	37.8	Very low	56	Low	95 Å²	95	108 Å²	108	79%	0.785	60%	0.603	S	S	*	*			trans	8	85.4	168.3	0	0	0	0	0	115.9	A32 L36	A32-A34 PolarHBondContact O-N 3.27Å; A34-L36 PolarHBondContact O-N 3.09Å; A34-L36 VanDerWaalsContact O-N 3.08Å
35	M	43.6	Very low	59.2	Low	143 Å²	143	105.3 Å²	105.3	70%	0.704	58%	0.582	S	S	*	*			trans	-56	113	150.8	-103	-175.2	157.2	0	0	105.9	P33 A37	P33-M35 PolarHBondContact O-N 3.08Å; P33-M35 VanDerWaalsContact O-N 3.09Å; M35-A37 PolarHBondContact O-N 3.04Å
36	L	50	Low	62.3	Low	161 Å²	161	102.6 Å²	102.6	84%	0.843	56%	0.559	S	S	*	*			trans	-53.5	117.7	161.7	-75.8	164.9	0	0	0	105.8	A34 R38	A34-L36 PolarHBondContact O-N 3.09Å; A34-L36 VanDerWaalsContact O-N 3.08Å; L36-R38 PolarHBondContact O-N 3.47Å
37	A	71.6	Confident	65.1	Low	85 Å²	85	100 Å²	100	70%	0.702	55%	0.554	S	S	*	*			trans	-57.6	111.8	179.3	0	0	0	0	0	107.8	M35 T39	M35-A37 PolarHBondContact O-N 3.04Å; A37-T39 WeakPolarHBondContact O-CG2 3.47Å; A37-T39 PolarHBondContact O-N 2.93Å
38	R	88.6	Confident	68.2	Low	52 Å²	52	90.6 Å²	90.6	20%	0.196	52%	0.521	C	S	.	.			trans	-59	137.1	174.5	-62.5	177.4	-173.3	149.6	9.9	108.1	L36 V41 E71 E74 V75 E78	L36-R38 PolarHBondContact O-N 3.47Å; R38-V41 VanDerWaalsContact CB-O 3.25Å; R38-V41 WeakPolarHBondContact CB-O 3.25Å; R38-V41 WeakPolarHBondContact CD-O 3.31Å; R38-E71 HydrophobicContact CG-CG 4.48Å; R38-E74 IonicContact CZ-OE1 3.82Å; R38-E74 IonicContact NE-OE1 2.85Å; R38-E74 PolarHBondContact NE-OE1 2.81Å; R38-E74 IonicContact NE-OE2 3.72Å; R38-E74 IonicContact NH2-OE1 2.75Å; R38-E74 PolarHBondContact NH2-OE1 2.84Å; R38-V75 VanDerWaalsContact NH1-CG2 3.28Å; R38-E78 IonicContact CZ-OE1 3.52Å; R38-E78 IonicContact CZ-OE2 3.67Å; R38-E78 VanDerWaalsContact CZ-OE2 3.29Å; R38-E78 IonicContact NH1-OE1 3.93Å; R38-E78 IonicContact NH1-OE2 2.76Å; R38-E78 PolarHBondContact NH1-OE2 2.76Å; R38-E78 IonicContact NH2-OE1 3.48Å; R38-E78 PolarHBondContact NH2-OE1 3.37Å; R38-E78 IonicContact NH2-OE2 2.71Å; R38-E78 PolarHBondContact NH2-OE2 3.26Å
39	T	92.5	Very high	71.5	Confident	77 Å²	77	84.7 Å²	84.7	47%	0.472	48%	0.484	S	S	.	.	S	Bend	trans	-113.8	-27.5	-171	51.7	0	0	0	0	113	A37 P57 E71	A37-T39 WeakPolarHBondContact O-CG2 3.47Å; A37-T39 PolarHBondContact O-N 2.93Å; T39-P57 WeakPolarHBondContact O-CD 3.48Å; T39-E71 PolarHBondContact N-OE1 3.46Å; T39-E71 VanDerWaalsContact N-OE1 3.13Å; T39-E71 PolarHBondContact N-OE2 3.13Å; T39-E71 VanDerWaalsContact N-OE2 3.08Å; T39-E71 PolarHBondContact OG1-OE1 2.63Å
40	H	93.6	Very high	74.7	Confident	14 Å²	14	75.5 Å²	75.5	7%	0.065	44%	0.444	C	S	.	.	S	Bend	trans	-108.5	-32	-174.7	-63.8	68.7	0	0	0	112.7	N55 D56 M68 E71	H40-N55 WeakPolarHBondContact CA-O 3.12Å; H40-N55 PolarHBondContact O-N 2.83Å; H40-D56 IonicContact NE2-OD1 3.75Å; H40-M68 HydrophobicContact CB-CB 4.24Å; H40-E71 WeakPolarHBondContact CA-OE2 3.26Å; H40-E71 WeakPolarHBondContact CB-OE2 3.47Å; H40-E71 PolarHBondContact N-OE2 2.81Å; H40-E71 IonicContact ND1-OE1 3.89Å
41	V	96.2	Very high	78	Confident	1 Å²	1	70.2 Å²	70.2	1%	0.006	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	116.4	-178.6	-169.5	0	0	0	0	110	R38 I52 R53 M68 E71 M72 V75	R38-V41 VanDerWaalsContact CB-O 3.25Å; R38-V41 WeakPolarHBondContact CB-O 3.25Å; R38-V41 WeakPolarHBondContact CD-O 3.31Å; V41-I52 HydrophobicContact CG1-CG2 3.57Å; V41-R53 WeakPolarHBondContact CA-O 3.48Å; V41-M68 HydrophobicContact CG2-CG 4.14Å; V41-E71 HydrophobicContact CB-CB 3.99Å; V41-E71 HydrophobicContact CG2-CB 3.99Å; V41-E71 PolarHBondContact N-OE2 3.33Å; V41-M72 HydrophobicContact CG1-CE 4.17Å; V41-M72 HydrophobicContact CG1-SD 4.48Å; V41-M72 HydrophobicContact CG2-CB 4.28Å; V41-M72 HydrophobicContact CG2-CE 4.29Å; V41-V75 HydrophobicContact CB-CG2 4.41Å; V41-V75 HydrophobicContact CG1-CB 4.31Å; V41-V75 HydrophobicContact CG1-CG1 4.4Å; V41-V75 HydrophobicContact CG1-CG2 3.93Å
42	D	94.6	Very high	81	Confident	75 Å²	75	64 Å²	64	40%	0.401	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	164.5	168.2	70.4	49.7	0	0	0	110.2	I52 R53	D42-I52 CarbonylContact O-C 3.57Å; D42-I52 WeakPolarHBondContact O-CA 3.41Å; D42-R53 PolarHBondContact N-O 2.71Å; D42-R53 PolarHBondContact O-N 3.17Å; D42-R53 WeakPolarHBondContact OD1-CB 3.32Å; D42-R53 WeakPolarHBondContact OD1-CG 2.75Å; D42-R53 IonicContact OD1-NH1 2.86Å
43	Y	95.9	Very high	84.1	Confident	72 Å²	72	62.4 Å²	62.4	28%	0.282	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	155.3	166.1	81.6	-72.9	0	0	0	111.4	V45 A50 V51 V75 E78 V79	Y43-V45 HydrophobicContact CD2-CG2 4.43Å; Y43-V45 HydrophobicContact CE2-CG2 4.13Å; Y43-A50 HydrophobicContact CD2-CB 4.42Å; Y43-V51 WeakPolarHBondContact CA-O 3.44Å; Y43-V51 WeakPolarHBondContact CB-O 3.43Å; Y43-V75 HydrophobicContact CD1-CB 4.47Å; Y43-V75 HydrophobicContact CD1-CG1 3.76Å; Y43-V75 HydrophobicContact CD1-CG2 4.1Å; Y43-V75 HydrophobicContact CE1-CG1 4.47Å; Y43-V75 HydrophobicContact CG-CG1 3.93Å; Y43-E78 VanDerWaalsContact CE1-OE2 3.25Å; Y43-E78 WeakPolarHBondContact CE1-OE2 3.2Å; Y43-E78 PolarHBondContact OH-OE2 3.48Å; Y43-V79 HydrophobicContact CD2-CG2 4.13Å; Y43-V79 HydrophobicContact CE2-CG2 4.21Å
44	E	96.6	Very high	86.9	Confident	78 Å²	78	56.5 Å²	56.5	36%	0.364	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	156.2	167.3	71.4	-178	167.8	0	0	110.2	K46 V51 R53	E44-K46 HydrophobicContact CG-CG 4.36Å; E44-K46 WeakPolarHBondContact OE1-CE 3.34Å; E44-K46 IonicContact OE1-NZ 2.8Å; E44-K46 PolarHBondContact OE1-NZ 2.89Å; E44-V51 HydrophobicContact CG-CB 4.33Å; E44-V51 PolarHBondContact N-O 2.94Å; E44-V51 PolarHBondContact O-N 2.68Å; E44-R53 IonicContact OE1-CZ 3.1Å; E44-R53 IonicContact OE1-NH1 3.29Å; E44-R53 PolarHBondContact OE1-NH1 3.33Å; E44-R53 IonicContact OE1-NH2 2.65Å; E44-R53 PolarHBondContact OE1-NH2 3.16Å
45	V	96.6	Very high	89.7	Confident	56 Å²	56	54.8 Å²	54.8	34%	0.339	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	120.5	175.3	-178	0	0	0	0	109.3	Y43 N47 V49 V85	Y43-V45 HydrophobicContact CD2-CG2 4.43Å; Y43-V45 HydrophobicContact CE2-CG2 4.13Å; V45-N47 WeakPolarHBondContact CG1-O 3.49Å; V45-V49 WeakPolarHBondContact CA-O 3.19Å; V45-V85 HydrophobicContact CG1-CG2 4.06Å; V45-V85 HydrophobicContact CG2-CG2 3.84Å
46	K	94.9	Very high	92	Very high	73 Å²	73	48.4 Å²	48.4	32%	0.317	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	106.7	172.5	-65.3	-169.9	-176.9	-177.4	0	109.1	E44 D48 V49 V51 E241	E44-K46 HydrophobicContact CG-CG 4.36Å; E44-K46 WeakPolarHBondContact OE1-CE 3.34Å; E44-K46 IonicContact OE1-NZ 2.8Å; E44-K46 PolarHBondContact OE1-NZ 2.89Å; K46-D48 PolarHBondContact O-N 2.89Å; K46-D48 VanDerWaalsContact O-N 3.13Å; K46-V49 PolarHBondContact N-O 2.63Å; K46-V49 PolarHBondContact O-N 3.18Å; K46-V51 HydrophobicContact CD-CG2 4.17Å; K46-V51 HydrophobicContact CG-CG2 4.22Å; K46-E241 WeakPolarHBondContact CE-OE1 3.48Å; K46-E241 IonicContact NZ-OE1 3.01Å; K46-E241 PolarHBondContact NZ-OE1 3.05Å
47	N	91.1	Very high	93.9	Very high	135 Å²	135	44.2 Å²	44.2	72%	0.722	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.8	-107.2	-170.9	-47.5	-71	0	0	0	110.7	V45	V45-N47 WeakPolarHBondContact CG1-O 3.49Å
48	D	95.1	Very high	94.6	Very high	33 Å²	33	47 Å²	47	18%	0.176	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	14.5	178.9	63.7	-31.3	0	0	0	112.7	K46 K86 S87	K46-D48 PolarHBondContact O-N 2.89Å; K46-D48 VanDerWaalsContact O-N 3.13Å; D48-K86 HydrophobicContact CB-CB 4.27Å; D48-K86 HydrophobicContact CB-CG 4.06Å; D48-K86 PolarHBondContact O-N 3.24Å; D48-S87 PolarHBondContact O-N 3.17Å
49	V	98.2	Very high	94.5	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.006	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	121.7	-178.2	-170.7	0	0	0	0	110.5	V45 K46 S87 V89 V245 A248 R249	V45-V49 WeakPolarHBondContact CA-O 3.19Å; K46-V49 PolarHBondContact N-O 2.63Å; K46-V49 PolarHBondContact O-N 3.18Å; V49-S87 WeakPolarHBondContact CA-O 3.43Å; V49-S87 WeakPolarHBondContact CG2-OG 3.36Å; V49-V89 HydrophobicContact CG1-CG2 4Å; V49-V245 HydrophobicContact CB-CG1 4.15Å; V49-V245 HydrophobicContact CG1-CG1 4.35Å; V49-V245 HydrophobicContact CG1-CG2 4.33Å; V49-V245 HydrophobicContact CG2-CG1 4.05Å; V49-A248 HydrophobicContact CG1-CB 3.85Å; V49-R249 HydrophobicContact CG2-CB 4.12Å
50	A	98.5	Very high	94.3	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	122.7	170.1	0	0	0	0	0	110.6	Y43 V79 V85 S87 A88 V89	Y43-A50 HydrophobicContact CD2-CB 4.42Å; A50-V79 HydrophobicContact CB-CG1 3.9Å; A50-V79 HydrophobicContact CB-CG2 3.85Å; A50-V85 HydrophobicContact CB-CG1 3.8Å; A50-V85 HydrophobicContact CB-CG2 4.33Å; A50-S87 PolarHBondContact N-O 2.82Å; A50-A88 HydrophobicContact CB-CB 4.18Å; A50-A88 CarbonylContact O-C 3.44Å; A50-A88 WeakPolarHBondContact O-CA 3.44Å; A50-V89 PolarHBondContact O-N 3.38Å
51	V	98.5	Very high	94.2	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	102.3	175.3	-176.5	0	0	0	0	108.3	Y43 E44 K46 R53 I91 E241 V245	Y43-V51 WeakPolarHBondContact CA-O 3.44Å; Y43-V51 WeakPolarHBondContact CB-O 3.43Å; E44-V51 HydrophobicContact CG-CB 4.33Å; E44-V51 PolarHBondContact N-O 2.94Å; E44-V51 PolarHBondContact O-N 2.68Å; K46-V51 HydrophobicContact CD-CG2 4.17Å; K46-V51 HydrophobicContact CG-CG2 4.22Å; V51-R53 HydrophobicContact CG1-CG 4.31Å; V51-I91 HydrophobicContact CG1-CG2 4.12Å; V51-E241 HydrophobicContact CG1-CG 3.74Å; V51-V245 HydrophobicContact CG2-CG2 3.55Å
52	I	98.3	Very high	94.2	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	122.7	-178.7	-58.5	161.9	0	0	0	108	V41 D42 M72 V75 M76 V79 A88 V89 L90 I91	V41-I52 HydrophobicContact CG1-CG2 3.57Å; D42-I52 CarbonylContact O-C 3.57Å; D42-I52 WeakPolarHBondContact O-CA 3.41Å; I52-M72 HydrophobicContact CG2-CE 4.26Å; I52-M72 HydrophobicContact CG2-SD 4.23Å; I52-V75 HydrophobicContact CB-CG1 4.5Å; I52-V75 HydrophobicContact CD1-CG1 4.05Å; I52-V75 HydrophobicContact CG1-CG1 3.82Å; I52-V75 HydrophobicContact CG2-CG1 3.96Å; I52-M76 HydrophobicContact CD1-SD 3.43Å; I52-M76 WeakPolarHBondContact CD1-SD 3.37Å; I52-V79 HydrophobicContact CD1-CG2 4.01Å; I52-V79 HydrophobicContact CG1-CG2 4.32Å; I52-A88 HydrophobicContact CD1-CB 4.38Å; I52-V89 PolarHBondContact N-O 3.33Å; I52-L90 HydrophobicContact CB-CD2 3.71Å; I52-L90 HydrophobicContact CD1-CD2 3.61Å; I52-L90 HydrophobicContact CG1-CD2 4.25Å; I52-L90 HydrophobicContact CG2-CD2 3.8Å; I52-I91 PolarHBondContact O-N 2.65Å
53	R	97.4	Very high	94.1	Very high	35 Å²	35	51.7 Å²	51.7	13%	0.132	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	136.2	-178.9	-42.6	-169.4	169.7	82.1	-3.7	112.2	V41 D42 E44 V51 I91 S93 E241	V41-R53 WeakPolarHBondContact CA-O 3.48Å; D42-R53 PolarHBondContact N-O 2.71Å; D42-R53 PolarHBondContact O-N 3.17Å; D42-R53 WeakPolarHBondContact OD1-CB 3.32Å; D42-R53 WeakPolarHBondContact OD1-CG 2.75Å; D42-R53 IonicContact OD1-NH1 2.86Å; E44-R53 IonicContact OE1-CZ 3.1Å; E44-R53 IonicContact OE1-NH1 3.29Å; E44-R53 PolarHBondContact OE1-NH1 3.33Å; E44-R53 IonicContact OE1-NH2 2.65Å; E44-R53 PolarHBondContact OE1-NH2 3.16Å; V51-R53 HydrophobicContact CG1-CG 4.31Å; R53-I91 CarbonylContact C-O 3.57Å; R53-I91 VanDerWaalsContact CA-O 3.31Å; R53-I91 WeakPolarHBondContact CA-O 3.25Å; R53-I91 HydrophobicContact CB-CG2 4.31Å; R53-I91 HydrophobicContact CG-CG2 3.82Å; R53-S93 VanDerWaalsContact CB-OG 3.31Å; R53-S93 WeakPolarHBondContact CB-OG 3.17Å; R53-S93 WeakPolarHBondContact CD-OG 3.33Å; R53-E241 IonicContact CZ-OE1 2.94Å; R53-E241 IonicContact CZ-OE2 3.81Å; R53-E241 VanDerWaalsContact CZ-OE2 3.25Å; R53-E241 IonicContact NE-OE2 2.82Å; R53-E241 PolarHBondContact NE-OE2 3.36Å; R53-E241 IonicContact NH2-OE1 2.68Å; R53-E241 PolarHBondContact NH2-OE1 3.03Å; R53-E241 IonicContact NH2-OE2 3.12Å; R53-E241 PolarHBondContact NH2-OE2 3.07Å
54	I	96.4	Very high	94	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	125.4	-179.8	-57.5	164.1	0	0	0	108.7	N62 M68 M72 I91 S92 S93 I99	I54-N62 HydrophobicContact CG2-CB 4.05Å; I54-N62 PolarHBondContact O-ND2 3.03Å; I54-M68 HydrophobicContact CB-CE 4.2Å; I54-M68 HydrophobicContact CD1-CE 3.72Å; I54-M68 HydrophobicContact CG1-CE 3.94Å; I54-M68 HydrophobicContact CG2-CE 3.24Å; I54-M68 HydrophobicContact CG2-SD 3.72Å; I54-M72 HydrophobicContact CD1-CE 3.71Å; I54-M72 HydrophobicContact CG1-CE 3.74Å; I54-I91 PolarHBondContact N-O 2.76Å; I54-S92 WeakPolarHBondContact O-CA 3.34Å; I54-S92 PolarHBondContact O-OG 3.24Å; I54-S93 PolarHBondContact O-N 3Å; I54-S93 VanDerWaalsContact O-N 3.09Å; I54-I99 HydrophobicContact CD1-CD1 3.91Å; I54-I99 HydrophobicContact CD1-CG1 4.32Å
55	N	94.8	Very high	93.7	Very high	59 Å²	59	46 Å²	46	32%	0.316	24%	0.244	S	C	.	.			trans	-154.2	102.4	174.5	-175.2	24	0	0	0	111.2	H40 P57 N62 K94	H40-N55 WeakPolarHBondContact CA-O 3.12Å; H40-N55 PolarHBondContact O-N 2.83Å; N55-P57 VanDerWaalsContact O-CD 3.27Å; N55-P57 WeakPolarHBondContact O-CD 3.27Å; N55-N62 WeakPolarHBondContact CA-OD1 3.43Å; N55-K94 WeakPolarHBondContact OD1-CE 3.02Å; N55-K94 PolarHBondContact OD1-NZ 3.5Å
56	D	92.7	Very high	93.3	Very high	10 Å²	10	47.2 Å²	47.2	5%	0.053	25%	0.251	C	S	.	.			trans	-69.8	113.8	171.5	-176.8	-29.5	0	0	0	110	H40 N58 S59 N62 K94	H40-D56 IonicContact NE2-OD1 3.75Å; D56-N58 PolarHBondContact O-N 3.13Å; D56-N58 WeakPolarHBondContact OD1-CA 3.46Å; D56-N58 WeakPolarHBondContact OD1-CB 3.13Å; D56-N58 PolarHBondContact OD1-N 3.02Å; D56-S59 PolarHBondContact OD1-N 2.73Å; D56-S59 VanDerWaalsContact OD1-N 3.12Å; D56-S59 WeakPolarHBondContact OD2-CB 3.44Å; D56-N62 PolarHBondContact N-OD1 2.93Å; D56-K94 VanDerWaalsContact O-CE 3.26Å; D56-K94 WeakPolarHBondContact O-CE 3.45Å; D56-K94 PolarHBondContact O-NZ 3.07Å
57	P	89.6	Confident	93.1	Very high	73 Å²	73	48 Å²	48	47%	0.474	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-20.3	-176.9	30	-34.1	0	0	0	112.9	T39 N55	T39-P57 WeakPolarHBondContact O-CD 3.48Å; N55-P57 VanDerWaalsContact O-CD 3.27Å; N55-P57 WeakPolarHBondContact O-CD 3.27Å
58	N	87.5	Confident	93.1	Very high	142 Å²	142	41.6 Å²	41.6	76%	0.759	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-10.9	-172.5	-59.1	-50.4	0	0	0	112.8	D56	D56-N58 PolarHBondContact O-N 3.13Å; D56-N58 WeakPolarHBondContact OD1-CA 3.46Å; D56-N58 WeakPolarHBondContact OD1-CB 3.13Å; D56-N58 PolarHBondContact OD1-N 3.02Å
59	S	86.3	Confident	92.9	Very high	40 Å²	40	42.5 Å²	42.5	28%	0.28	22%	0.224	S	C	.	.			trans	-125.5	151.9	-174.9	-177.3	0	0	0	0	113.7	D56 V61 K94	D56-S59 PolarHBondContact OD1-N 2.73Å; D56-S59 VanDerWaalsContact OD1-N 3.12Å; D56-S59 WeakPolarHBondContact OD2-CB 3.44Å; S59-V61 WeakPolarHBondContact CB-O 3.16Å; S59-V61 PolarHBondContact O-N 3.08Å; S59-V61 PolarHBondContact OG-N 3.13Å; S59-V61 PolarHBondContact OG-O 2.8Å; S59-K94 WeakPolarHBondContact O-CE 3.41Å; S59-K94 PolarHBondContact O-NZ 2.9Å
60	K	87.5	Confident	92.6	Very high	197 Å²	197	46.8 Å²	46.8	86%	0.857	25%	0.248	S	C	*	.	S	Bend	trans	-74.1	-11.5	171.9	-67	-171.3	179.4	-175.2	0	113	K94	K60-K94 WeakPolarHBondContact O-CD 3.35Å
61	V	92.1	Very high	92.4	Very high	57 Å²	57	47.1 Å²	47.1	35%	0.345	25%	0.249	S	C	.	.	S	Bend	trans	-137.5	148.8	177.3	-65.7	0	0	0	0	109	S59 T63 A100	S59-V61 WeakPolarHBondContact CB-O 3.16Å; S59-V61 PolarHBondContact O-N 3.08Å; S59-V61 PolarHBondContact OG-N 3.13Å; S59-V61 PolarHBondContact OG-O 2.8Å; V61-T63 HydrophobicContact CG2-CG2 4.33Å; V61-A100 HydrophobicContact CB-CB 4.03Å; V61-A100 HydrophobicContact CG2-CB 4.03Å
62	N	95.5	Very high	92.3	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.252	C	S	.	.			trans	-76.1	135.2	172.6	-66.7	-27.4	0	0	0	109.6	I54 N55 D56 S92 K94 S97 F98 I99 A100	I54-N62 HydrophobicContact CG2-CB 4.05Å; I54-N62 PolarHBondContact O-ND2 3.03Å; N55-N62 WeakPolarHBondContact CA-OD1 3.43Å; D56-N62 PolarHBondContact N-OD1 2.93Å; N62-S92 PolarHBondContact ND2-OG 2.79Å; N62-K94 WeakPolarHBondContact OD1-CE 3.17Å; N62-S97 PolarHBondContact N-OG 3.45Å; N62-S97 VanDerWaalsContact N-OG 3.11Å; N62-F98 VanDerWaalsContact CB-O 3.26Å; N62-F98 WeakPolarHBondContact CB-O 3.34Å; N62-F98 PolarHBondContact ND2-O 3.12Å; N62-I99 HydrophobicContact CB-CG1 4.42Å; N62-I99 CarbonylContact O-C 3.57Å; N62-I99 WeakPolarHBondContact O-CA 3.31Å; N62-A100 PolarHBondContact O-N 3.26Å
63	T	93.4	Very high	92	Very high	24 Å²	24	49.9 Å²	49.9	15%	0.147	27%	0.265	C	S	.	.			trans	-131.3	148.8	174	46.4	0	0	0	0	109.7	V61 S65 G101	V61-T63 HydrophobicContact CG2-CG2 4.33Å; T63-S65 PolarHBondContact O-N 3.43Å; T63-G101 CarbonylContact C-O 3.53Å; T63-G101 WeakPolarHBondContact CA-O 3.37Å
64	L	92.3	Very high	92	Very high	17 Å²	17	52.3 Å²	52.3	9%	0.089	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-73.8	71.2	175.2	-59.2	172.4	0	0	0	110.5	M68 Q69 I99 G101 F127	L64-M68 HydrophobicContact CD2-CE 3.7Å; L64-M68 HydrophobicContact CD2-SD 4.16Å; L64-Q69 HydrophobicContact CB-CG 4.38Å; L64-Q69 PolarHBondContact O-NE2 2.99Å; L64-I99 HydrophobicContact CD2-CD1 3.95Å; L64-I99 HydrophobicContact CD2-CG2 4.21Å; L64-I99 HydrophobicContact CG-CG2 3.92Å; L64-G101 PolarHBondContact N-O 3.31Å; L64-F127 HydrophobicContact CD1-CZ 4.13Å
65	S	90.6	Very high	92	Very high	15 Å²	15	52.3 Å²	52.3	11%	0.105	28%	0.278	C	S	.	.			trans	-70.5	164.5	171.7	69.6	0	0	0	0	110.7	T63 Q67 M68 Q69	T63-S65 PolarHBondContact O-N 3.43Å; S65-Q67 VanDerWaalsContact C-N 3.25Å; S65-Q67 PolarHBondContact O-N 2.96Å; S65-M68 PolarHBondContact O-N 3.07Å; S65-M68 WeakPolarHBondContact OG-CB 3.49Å; S65-M68 PolarHBondContact OG-N 3.33Å; S65-M68 VanDerWaalsContact OG-N 3.12Å; S65-Q69 WeakPolarHBondContact O-CG 3.41Å; S65-Q69 PolarHBondContact O-N 2.9Å
66	V	88	Confident	92	Very high	80 Å²	80	49.5 Å²	49.5	49%	0.485	26%	0.263	S	S	.	.	H	α-helix	trans	-56	-44.4	174.3	176.5	0	0	0	0	110.7	Q69 N70 M106	V66-Q69 PolarHBondContact O-N 3.44Å; V66-N70 VanDerWaalsContact O-CG 3.28Å; V66-N70 PolarHBondContact O-N 3.15Å; V66-N70 PolarHBondContact O-ND2 2.87Å; V66-M106 HydrophobicContact CG2-CG 3.93Å; V66-M106 HydrophobicContact CG2-SD 3.91Å
67	Q	90.4	Very high	92.2	Very high	90 Å²	90	52.1 Å²	52.1	42%	0.421	28%	0.277	S	S	.	.	H	α-helix	trans	-62.9	-46.3	179.3	-172.6	62.1	21.6	0	0	111.8	S65 Q69 N70 E71	S65-Q67 VanDerWaalsContact C-N 3.25Å; S65-Q67 PolarHBondContact O-N 2.96Å; Q67-Q69 VanDerWaalsContact C-N 3.31Å; Q67-Q69 PolarHBondContact O-N 2.9Å; Q67-N70 PolarHBondContact O-N 3.27Å; Q67-E71 PolarHBondContact NE2-OE1 3.04Å; Q67-E71 WeakPolarHBondContact O-CG 3.45Å; Q67-E71 PolarHBondContact O-N 2.7Å
68	M	91.6	Very high	92.6	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-61.4	-40.6	177.7	180	178.7	163.2	0	0	111.7	H40 V41 I54 L64 S65 M72 I99	H40-M68 HydrophobicContact CB-CB 4.24Å; V41-M68 HydrophobicContact CG2-CG 4.14Å; I54-M68 HydrophobicContact CB-CE 4.2Å; I54-M68 HydrophobicContact CD1-CE 3.72Å; I54-M68 HydrophobicContact CG1-CE 3.94Å; I54-M68 HydrophobicContact CG2-CE 3.24Å; I54-M68 HydrophobicContact CG2-SD 3.72Å; L64-M68 HydrophobicContact CD2-CE 3.7Å; L64-M68 HydrophobicContact CD2-SD 4.16Å; S65-M68 PolarHBondContact O-N 3.07Å; S65-M68 WeakPolarHBondContact OG-CB 3.49Å; S65-M68 PolarHBondContact OG-N 3.33Å; S65-M68 VanDerWaalsContact OG-N 3.12Å; M68-M72 HydrophobicContact CE-CE 4.43Å; M68-M72 WeakPolarHBondContact O-CB 3.39Å; M68-M72 PolarHBondContact O-N 3.37Å; M68-I99 HydrophobicContact CE-CD1 3.72Å; M68-I99 HydrophobicContact CE-CG1 4.21Å
69	Q	90.7	Very high	93	Very high	51 Å²	51	44.6 Å²	44.6	24%	0.238	23%	0.231	C	C	.	.	H	α-helix	trans	-66.1	-40.2	178.2	-70.9	176.7	60.3	0	0	112.2	L64 S65 V66 Q67 T73 M106	L64-Q69 HydrophobicContact CB-CG 4.38Å; L64-Q69 PolarHBondContact O-NE2 2.99Å; S65-Q69 WeakPolarHBondContact O-CG 3.41Å; S65-Q69 PolarHBondContact O-N 2.9Å; V66-Q69 PolarHBondContact O-N 3.44Å; Q67-Q69 VanDerWaalsContact C-N 3.31Å; Q67-Q69 PolarHBondContact O-N 2.9Å; Q69-T73 WeakPolarHBondContact O-CB 3.27Å; Q69-T73 PolarHBondContact O-N 3.04Å; Q69-T73 PolarHBondContact O-OG1 2.95Å; Q69-M106 PolarHBondContact NE2-SD 3.08Å; Q69-M106 VanDerWaalsContact NE2-SD 3.43Å
70	N	92.3	Very high	93.5	Very high	92 Å²	92	44.8 Å²	44.8	49%	0.492	23%	0.226	S	C	.	.	H	α-helix	trans	-64.4	-50.7	176.5	-70.8	-16.8	0	0	0	111.5	V66 Q67 M72 T73 E74	V66-N70 VanDerWaalsContact O-CG 3.28Å; V66-N70 PolarHBondContact O-N 3.15Å; V66-N70 PolarHBondContact O-ND2 2.87Å; Q67-N70 PolarHBondContact O-N 3.27Å; N70-M72 PolarHBondContact O-N 3.12Å; N70-T73 WeakPolarHBondContact O-CB 3.41Å; N70-T73 PolarHBondContact O-N 3.42Å; N70-T73 VanDerWaalsContact O-N 3.13Å; N70-E74 PolarHBondContact O-N 2.88Å
71	E	95.3	Very high	94	Very high	6 Å²	6	39.1 Å²	39.1	3%	0.028	22%	0.215	C	C	.	.	H	α-helix	trans	-63.9	-40.1	179.1	-67.6	-178.8	-165.1	0	0	111.5	R38 T39 H40 V41 Q67 T73 E74 V75	R38-E71 HydrophobicContact CG-CG 4.48Å; T39-E71 PolarHBondContact N-OE1 3.46Å; T39-E71 VanDerWaalsContact N-OE1 3.13Å; T39-E71 PolarHBondContact N-OE2 3.13Å; T39-E71 VanDerWaalsContact N-OE2 3.08Å; T39-E71 PolarHBondContact OG1-OE1 2.63Å; H40-E71 WeakPolarHBondContact CA-OE2 3.26Å; H40-E71 WeakPolarHBondContact CB-OE2 3.47Å; H40-E71 PolarHBondContact N-OE2 2.81Å; H40-E71 IonicContact ND1-OE1 3.89Å; V41-E71 HydrophobicContact CB-CB 3.99Å; V41-E71 HydrophobicContact CG2-CB 3.99Å; V41-E71 PolarHBondContact N-OE2 3.33Å; Q67-E71 PolarHBondContact NE2-OE1 3.04Å; Q67-E71 WeakPolarHBondContact O-CG 3.45Å; Q67-E71 PolarHBondContact O-N 2.7Å; E71-T73 VanDerWaalsContact C-N 3.31Å; E71-T73 PolarHBondContact O-N 3.43Å; E71-E74 PolarHBondContact O-N 3.31Å; E71-V75 WeakPolarHBondContact O-CB 3.45Å; E71-V75 VanDerWaalsContact O-CG2 3.27Å; E71-V75 WeakPolarHBondContact O-CG2 3.33Å; E71-V75 PolarHBondContact O-N 2.83Å
72	M	94.6	Very high	94.2	Very high	12 Å²	12	38.9 Å²	38.9	6%	0.059	21%	0.212	C	C	.	.	H	α-helix	trans	-60.3	-41.1	173.1	-178.3	63.9	70.1	0	0	111.5	V41 I52 I54 M68 N70 M76 L90	V41-M72 HydrophobicContact CG1-CE 4.17Å; V41-M72 HydrophobicContact CG1-SD 4.48Å; V41-M72 HydrophobicContact CG2-CB 4.28Å; V41-M72 HydrophobicContact CG2-CE 4.29Å; I52-M72 HydrophobicContact CG2-CE 4.26Å; I52-M72 HydrophobicContact CG2-SD 4.23Å; I54-M72 HydrophobicContact CD1-CE 3.71Å; I54-M72 HydrophobicContact CG1-CE 3.74Å; M68-M72 HydrophobicContact CE-CE 4.43Å; M68-M72 WeakPolarHBondContact O-CB 3.39Å; M68-M72 PolarHBondContact O-N 3.37Å; N70-M72 PolarHBondContact O-N 3.12Å; M72-M76 HydrophobicContact CG-CG 4.21Å; M72-M76 VanDerWaalsContact O-CB 3.26Å; M72-M76 WeakPolarHBondContact O-CB 3.47Å; M72-M76 WeakPolarHBondContact O-CG 3.42Å; M72-M76 PolarHBondContact O-N 3.34Å; M72-M76 HydrophobicContact SD-CG 3.89Å; M72-M76 HydrophobicContact SD-SD 4.35Å; M72-L90 HydrophobicContact CE-CD2 4.32Å; M72-L90 HydrophobicContact SD-CD2 4.16Å
73	T	94	Very high	94.2	Very high	47 Å²	47	46.7 Å²	46.7	29%	0.288	25%	0.249	S	C	.	.	H	α-helix	trans	-62.2	-45.5	178	-60.3	0	0	0	0	111.7	Q69 N70 E71 N77 M126	Q69-T73 WeakPolarHBondContact O-CB 3.27Å; Q69-T73 PolarHBondContact O-N 3.04Å; Q69-T73 PolarHBondContact O-OG1 2.95Å; N70-T73 WeakPolarHBondContact O-CB 3.41Å; N70-T73 PolarHBondContact O-N 3.42Å; N70-T73 VanDerWaalsContact O-N 3.13Å; E71-T73 VanDerWaalsContact C-N 3.31Å; E71-T73 PolarHBondContact O-N 3.43Å; T73-N77 WeakPolarHBondContact O-CB 3.31Å; T73-N77 PolarHBondContact O-N 2.86Å; T73-N77 PolarHBondContact O-ND2 2.88Å; T73-N77 VanDerWaalsContact O-ND2 3.12Å; T73-M126 VanDerWaalsContact CA-CE 3.5Å; T73-M126 HydrophobicContact CG2-CE 3.59Å; T73-M126 WeakPolarHBondContact OG1-CE 3.22Å
74	E	95.4	Very high	94.4	Very high	86 Å²	86	49.9 Å²	49.9	40%	0.402	27%	0.269	S	S	.	.	H	α-helix	trans	-61.4	-53.3	177.9	-168.3	-172.9	159.7	0	0	111.2	R38 N70 E71 M76 N77 E78	R38-E74 IonicContact CZ-OE1 3.82Å; R38-E74 IonicContact NE-OE1 2.85Å; R38-E74 PolarHBondContact NE-OE1 2.81Å; R38-E74 IonicContact NE-OE2 3.72Å; R38-E74 IonicContact NH2-OE1 2.75Å; R38-E74 PolarHBondContact NH2-OE1 2.84Å; N70-E74 PolarHBondContact O-N 2.88Å; E71-E74 PolarHBondContact O-N 3.31Å; E74-M76 VanDerWaalsContact C-N 3.34Å; E74-M76 PolarHBondContact O-N 2.81Å; E74-N77 PolarHBondContact O-N 2.56Å; E74-N77 VanDerWaalsContact O-N 3.15Å; E74-E78 PolarHBondContact O-N 2.83Å
75	V	96.6	Very high	94.7	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-57.3	-45.8	178.4	169.5	0	0	0	0	111.3	R38 V41 Y43 I52 E71 N77 E78 V79	R38-V75 VanDerWaalsContact NH1-CG2 3.28Å; V41-V75 HydrophobicContact CB-CG2 4.41Å; V41-V75 HydrophobicContact CG1-CB 4.31Å; V41-V75 HydrophobicContact CG1-CG1 4.4Å; V41-V75 HydrophobicContact CG1-CG2 3.93Å; Y43-V75 HydrophobicContact CD1-CB 4.47Å; Y43-V75 HydrophobicContact CD1-CG1 3.76Å; Y43-V75 HydrophobicContact CD1-CG2 4.1Å; Y43-V75 HydrophobicContact CE1-CG1 4.47Å; Y43-V75 HydrophobicContact CG-CG1 3.93Å; I52-V75 HydrophobicContact CB-CG1 4.5Å; I52-V75 HydrophobicContact CD1-CG1 4.05Å; I52-V75 HydrophobicContact CG1-CG1 3.82Å; I52-V75 HydrophobicContact CG2-CG1 3.96Å; E71-V75 WeakPolarHBondContact O-CB 3.45Å; E71-V75 VanDerWaalsContact O-CG2 3.27Å; E71-V75 WeakPolarHBondContact O-CG2 3.33Å; E71-V75 PolarHBondContact O-N 2.83Å; V75-N77 VanDerWaalsContact C-N 3.33Å; V75-N77 PolarHBondContact O-N 2.79Å; V75-E78 PolarHBondContact O-N 2.77Å; V75-V79 HydrophobicContact CG1-CG2 4.17Å; V75-V79 WeakPolarHBondContact O-CB 3.45Å; V75-V79 WeakPolarHBondContact O-CG2 3.31Å; V75-V79 PolarHBondContact O-N 2.62Å
76	M	96.5	Very high	95	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-65.3	-36.7	179.8	-73.4	-58.2	-52.9	0	0	112.2	I52 M72 E74 V79 W80 L90 I130 I137	I52-M76 HydrophobicContact CD1-SD 3.43Å; I52-M76 WeakPolarHBondContact CD1-SD 3.37Å; M72-M76 HydrophobicContact CG-CG 4.21Å; M72-M76 VanDerWaalsContact O-CB 3.26Å; M72-M76 WeakPolarHBondContact O-CB 3.47Å; M72-M76 WeakPolarHBondContact O-CG 3.42Å; M72-M76 PolarHBondContact O-N 3.34Å; M72-M76 HydrophobicContact SD-CG 3.89Å; M72-M76 HydrophobicContact SD-SD 4.35Å; E74-M76 VanDerWaalsContact C-N 3.34Å; E74-M76 PolarHBondContact O-N 2.81Å; M76-V79 PolarHBondContact O-N 3.36Å; M76-W80 HydrophobicContact CB-CE3 4.04Å; M76-W80 HydrophobicContact CB-CH2 4.01Å; M76-W80 HydrophobicContact CB-CZ3 3.74Å; M76-W80 HydrophobicContact CE-CD2 4.27Å; M76-W80 HydrophobicContact CE-CH2 4.02Å; M76-W80 HydrophobicContact CE-CZ2 3.49Å; M76-W80 VanDerWaalsContact CE-CZ2 3.49Å; M76-W80 WeakPolarHBondContact O-CB 3.47Å; M76-W80 VanDerWaalsContact O-CD2 3.22Å; M76-W80 PolarHBondContact O-N 3.41Å; M76-L90 HydrophobicContact SD-CD2 4.36Å; M76-I130 HydrophobicContact CE-CG1 4.39Å; M76-I137 HydrophobicContact CE-CD1 3.55Å
77	N	96.4	Very high	95.5	Very high	64 Å²	64	49.8 Å²	49.8	34%	0.342	26%	0.259	S	S	.	.	H	α-helix	trans	-64.4	-41.4	175.1	-71.1	-30.6	0	0	0	111.7	T73 E74 V75 W80 A81 R129	T73-N77 WeakPolarHBondContact O-CB 3.31Å; T73-N77 PolarHBondContact O-N 2.86Å; T73-N77 PolarHBondContact O-ND2 2.88Å; T73-N77 VanDerWaalsContact O-ND2 3.12Å; E74-N77 PolarHBondContact O-N 2.56Å; E74-N77 VanDerWaalsContact O-N 3.15Å; V75-N77 VanDerWaalsContact C-N 3.33Å; V75-N77 PolarHBondContact O-N 2.79Å; N77-W80 PolarHBondContact O-N 2.97Å; N77-A81 VanDerWaalsContact O-CB 3.32Å; N77-A81 WeakPolarHBondContact O-CB 3.45Å; N77-A81 PolarHBondContact O-N 2.92Å; N77-R129 PolarHBondContact OD1-NH1 2.81Å; N77-R129 PolarHBondContact OD1-NH2 2.95Å
78	E	96.8	Very high	95.9	Very high	55 Å²	55	45.5 Å²	45.5	26%	0.257	24%	0.239	S	C	.	.	H	α-helix	trans	-62.3	-49	173.9	-68	175	164.2	0	0	111.2	R38 Y43 E74 V75 W80 A81 D82	R38-E78 IonicContact CZ-OE1 3.52Å; R38-E78 IonicContact CZ-OE2 3.67Å; R38-E78 VanDerWaalsContact CZ-OE2 3.29Å; R38-E78 IonicContact NH1-OE1 3.93Å; R38-E78 IonicContact NH1-OE2 2.76Å; R38-E78 PolarHBondContact NH1-OE2 2.76Å; R38-E78 IonicContact NH2-OE1 3.48Å; R38-E78 PolarHBondContact NH2-OE1 3.37Å; R38-E78 IonicContact NH2-OE2 2.71Å; R38-E78 PolarHBondContact NH2-OE2 3.26Å; Y43-E78 VanDerWaalsContact CE1-OE2 3.25Å; Y43-E78 WeakPolarHBondContact CE1-OE2 3.2Å; Y43-E78 PolarHBondContact OH-OE2 3.48Å; E74-E78 PolarHBondContact O-N 2.83Å; V75-E78 PolarHBondContact O-N 2.77Å; E78-W80 VanDerWaalsContact C-N 3.28Å; E78-W80 PolarHBondContact O-N 2.84Å; E78-A81 PolarHBondContact O-N 3.4Å; E78-A81 VanDerWaalsContact O-N 3.16Å; E78-D82 WeakPolarHBondContact O-CB 3.39Å; E78-D82 PolarHBondContact O-N 3.27Å
79	V	96.9	Very high	96.2	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.012	24%	0.239	C	C	.	.	H	α-helix	trans	-59.8	-38.4	178.2	170.5	0	0	0	0	111.4	Y43 A50 I52 V75 M76 V85 A88 K135	Y43-V79 HydrophobicContact CD2-CG2 4.13Å; Y43-V79 HydrophobicContact CE2-CG2 4.21Å; A50-V79 HydrophobicContact CB-CG1 3.9Å; A50-V79 HydrophobicContact CB-CG2 3.85Å; I52-V79 HydrophobicContact CD1-CG2 4.01Å; I52-V79 HydrophobicContact CG1-CG2 4.32Å; V75-V79 HydrophobicContact CG1-CG2 4.17Å; V75-V79 WeakPolarHBondContact O-CB 3.45Å; V75-V79 WeakPolarHBondContact O-CG2 3.31Å; V75-V79 PolarHBondContact O-N 2.62Å; M76-V79 PolarHBondContact O-N 3.36Å; V79-V85 HydrophobicContact CG1-CG1 4.2Å; V79-A88 HydrophobicContact CG1-CB 4.08Å; V79-K135 PolarHBondContact O-NZ 3.12Å
80	W	97.1	Very high	96.6	Very high	45 Å²	45	43 Å²	43	17%	0.17	23%	0.227	C	C	.	.	H	α-helix	trans	-71.6	-38.9	175.9	-75.4	-42.4	0	0	0	112.7	M76 N77 E78 M126 R129 I130 S133 K135	M76-W80 HydrophobicContact CB-CE3 4.04Å; M76-W80 HydrophobicContact CB-CH2 4.01Å; M76-W80 HydrophobicContact CB-CZ3 3.74Å; M76-W80 HydrophobicContact CE-CD2 4.27Å; M76-W80 HydrophobicContact CE-CH2 4.02Å; M76-W80 HydrophobicContact CE-CZ2 3.49Å; M76-W80 VanDerWaalsContact CE-CZ2 3.49Å; M76-W80 WeakPolarHBondContact O-CB 3.47Å; M76-W80 VanDerWaalsContact O-CD2 3.22Å; M76-W80 PolarHBondContact O-N 3.41Å; N77-W80 PolarHBondContact O-N 2.97Å; E78-W80 VanDerWaalsContact C-N 3.28Å; E78-W80 PolarHBondContact O-N 2.84Å; W80-M126 HydrophobicContact CH2-SD 4.12Å; W80-M126 HydrophobicContact CZ3-SD 4.5Å; W80-R129 VanDerWaalsContact CE3-NH2 3.33Å; W80-R129 HydrophobicContact CH2-CB 3.59Å; W80-R129 HydrophobicContact CZ2-CB 4.11Å; W80-R129 HydrophobicContact CZ3-CB 4.29Å; W80-R129 VanDerWaalsContact CZ3-CZ 3.45Å; W80-R129 VanDerWaalsContact CZ3-NH2 3.25Å; W80-I130 HydrophobicContact CH2-CG1 4.26Å; W80-I130 HydrophobicContact CZ2-CG1 4.16Å; W80-S133 PolarHBondContact NE1-OG 3.31Å; W80-K135 WeakPolarHBondContact O-CE 3.46Å; W80-K135 PolarHBondContact O-NZ 3.47Å
81	A	97.2	Very high	96.9	Very high	77 Å²	77	38.7 Å²	38.7	64%	0.636	20%	0.204	S	C	*	.	H	α-helix	trans	-72.8	-30.5	179.9	0	0	0	0	0	113.5	N77 E78 E83	N77-A81 VanDerWaalsContact O-CB 3.32Å; N77-A81 WeakPolarHBondContact O-CB 3.45Å; N77-A81 PolarHBondContact O-N 2.92Å; E78-A81 PolarHBondContact O-N 3.4Å; E78-A81 VanDerWaalsContact O-N 3.16Å; A81-E83 PolarHBondContact O-N 2.65Å; A81-E83 VanDerWaalsContact O-N 3.17Å
82	D	97	Very high	97	Very high	52 Å²	52	38.4 Å²	38.4	28%	0.278	20%	0.203	S	C	.	.			trans	-73.5	104.8	-176.5	-174.6	-13.4	0	0	0	112.7	E78 T84 V85 K135	E78-D82 WeakPolarHBondContact O-CB 3.39Å; E78-D82 PolarHBondContact O-N 3.27Å; D82-T84 VanDerWaalsContact CG-OG1 3.25Å; D82-T84 PolarHBondContact O-N 2.99Å; D82-T84 VanDerWaalsContact OD1-CB 3.31Å; D82-T84 WeakPolarHBondContact OD1-CB 3.43Å; D82-T84 WeakPolarHBondContact OD1-CG2 3.15Å; D82-T84 PolarHBondContact OD1-N 2.74Å; D82-T84 PolarHBondContact OD1-OG1 2.95Å; D82-T84 PolarHBondContact OD2-OG1 3.46Å; D82-V85 HydrophobicContact CB-CG2 4.14Å; D82-V85 PolarHBondContact O-N 2.91Å; D82-V85 VanDerWaalsContact O-N 3.12Å; D82-K135 PolarHBondContact O-NZ 3.3Å
83	E	96	Very high	97	Very high	164 Å²	164	39.7 Å²	39.7	77%	0.766	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-19.9	-178.6	-62.3	-172.4	169.8	0	0	114.6	A81 V85 K86	A81-E83 PolarHBondContact O-N 2.65Å; A81-E83 VanDerWaalsContact O-N 3.17Å; E83-V85 VanDerWaalsContact C-N 3.28Å; E83-K86 PolarHBondContact O-NZ 3.35Å
84	T	96.4	Very high	96.9	Very high	92 Å²	92	38.5 Å²	38.5	56%	0.564	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-26.2	176.9	73.3	0	0	0	0	111.7	D82	D82-T84 VanDerWaalsContact CG-OG1 3.25Å; D82-T84 PolarHBondContact O-N 2.99Å; D82-T84 VanDerWaalsContact OD1-CB 3.31Å; D82-T84 WeakPolarHBondContact OD1-CB 3.43Å; D82-T84 WeakPolarHBondContact OD1-CG2 3.15Å; D82-T84 PolarHBondContact OD1-N 2.74Å; D82-T84 PolarHBondContact OD1-OG1 2.95Å; D82-T84 PolarHBondContact OD2-OG1 3.46Å
85	V	97.8	Very high	96.7	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.006	21%	0.206	C	C	.	.			trans	-84.6	125	176.8	-179.5	0	0	0	0	110.4	V45 A50 V79 D82 E83 S87 K135	V45-V85 HydrophobicContact CG1-CG2 4.06Å; V45-V85 HydrophobicContact CG2-CG2 3.84Å; A50-V85 HydrophobicContact CB-CG1 3.8Å; A50-V85 HydrophobicContact CB-CG2 4.33Å; V79-V85 HydrophobicContact CG1-CG1 4.2Å; D82-V85 HydrophobicContact CB-CG2 4.14Å; D82-V85 PolarHBondContact O-N 2.91Å; D82-V85 VanDerWaalsContact O-N 3.12Å; E83-V85 VanDerWaalsContact C-N 3.28Å; V85-S87 WeakPolarHBondContact CG1-O 3.34Å; V85-K135 HydrophobicContact CG1-CD 4.42Å; V85-K135 WeakPolarHBondContact O-CD 3.36Å; V85-K135 WeakPolarHBondContact O-CE 3.46Å; V85-K135 PolarHBondContact O-NZ 3.05Å
86	K	97.9	Very high	96.3	Very high	108 Å²	108	38.6 Å²	38.6	47%	0.47	22%	0.216	S	C	.	.			trans	-104.9	-22.5	177.6	-59.1	-52.8	-177.7	-158	0	113.7	D48 E83 P136 A252	D48-K86 HydrophobicContact CB-CB 4.27Å; D48-K86 HydrophobicContact CB-CG 4.06Å; D48-K86 PolarHBondContact O-N 3.24Å; E83-K86 PolarHBondContact O-NZ 3.35Å; K86-P136 WeakPolarHBondContact O-CD 3.35Å; K86-A252 HydrophobicContact CB-CB 4.33Å
87	S	98.4	Very high	96.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	171.3	175.8	58.4	0	0	0	0	111.8	D48 V49 A50 V85 P136 A248	D48-S87 PolarHBondContact O-N 3.17Å; V49-S87 WeakPolarHBondContact CA-O 3.43Å; V49-S87 WeakPolarHBondContact CG2-OG 3.36Å; A50-S87 PolarHBondContact N-O 2.82Å; V85-S87 WeakPolarHBondContact CG1-O 3.34Å; S87-P136 CarbonylContact C-O 3.48Å; S87-P136 WeakPolarHBondContact CA-O 3.34Å; S87-P136 WeakPolarHBondContact CB-O 3.35Å; S87-A248 PolarHBondContact OG-O 3.49Å
88	A	98.6	Very high	96.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	157.6	177.9	0	0	0	0	0	113.2	A50 I52 V79 P136 I137 V138	A50-A88 HydrophobicContact CB-CB 4.18Å; A50-A88 CarbonylContact O-C 3.44Å; A50-A88 WeakPolarHBondContact O-CA 3.44Å; I52-A88 HydrophobicContact CD1-CB 4.38Å; V79-A88 HydrophobicContact CG1-CB 4.08Å; A88-P136 PolarHBondContact N-O 3.42Å; A88-I137 HydrophobicContact CB-CG1 4.34Å; A88-I137 CarbonylContact O-C 3.43Å; A88-I137 WeakPolarHBondContact O-CA 3.16Å; A88-V138 PolarHBondContact O-N 3.09Å
89	V	98.7	Very high	96.2	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	131.6	172.1	174.3	0	0	0	0	108.2	V49 A50 I52 I91 V138 A140 A244 V245 A248	V49-V89 HydrophobicContact CG1-CG2 4Å; A50-V89 PolarHBondContact O-N 3.38Å; I52-V89 PolarHBondContact N-O 3.33Å; V89-I91 HydrophobicContact CG1-CB 4.32Å; V89-V138 CarbonylContact C-O 3.58Å; V89-V138 WeakPolarHBondContact CA-O 3.24Å; V89-V138 HydrophobicContact CG2-CB 4.36Å; V89-A140 HydrophobicContact CG1-CB 3.97Å; V89-A244 HydrophobicContact CG1-CB 3.66Å; V89-A244 HydrophobicContact CG2-CB 3.97Å; V89-V245 HydrophobicContact CG2-CG2 4.1Å; V89-A248 HydrophobicContact CG2-CB 3.86Å
90	L	98.5	Very high	96	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	115.3	167	-62.3	-178	0	0	0	108.6	I52 M72 M76 I137 V138 A140 L152	I52-L90 HydrophobicContact CB-CD2 3.71Å; I52-L90 HydrophobicContact CD1-CD2 3.61Å; I52-L90 HydrophobicContact CG1-CD2 4.25Å; I52-L90 HydrophobicContact CG2-CD2 3.8Å; M72-L90 HydrophobicContact CE-CD2 4.32Å; M72-L90 HydrophobicContact SD-CD2 4.16Å; M76-L90 HydrophobicContact SD-CD2 4.36Å; L90-I137 HydrophobicContact CD1-CG2 4.03Å; L90-I137 HydrophobicContact CG-CG2 3.81Å; L90-V138 PolarHBondContact N-O 3.44Å; L90-A140 PolarHBondContact O-N 2.72Å; L90-L152 HydrophobicContact CD1-CD1 4.09Å; L90-L152 HydrophobicContact CD1-CD2 4.27Å; L90-L152 HydrophobicContact CD1-CG 4.23Å
91	I	98.4	Very high	95.5	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	158.5	178.7	-167.3	167.3	0	0	0	110.7	V51 I52 R53 I54 V89 A140 I237 L240 E241	V51-I91 HydrophobicContact CG1-CG2 4.12Å; I52-I91 PolarHBondContact O-N 2.65Å; R53-I91 CarbonylContact C-O 3.57Å; R53-I91 VanDerWaalsContact CA-O 3.31Å; R53-I91 WeakPolarHBondContact CA-O 3.25Å; R53-I91 HydrophobicContact CB-CG2 4.31Å; R53-I91 HydrophobicContact CG-CG2 3.82Å; I54-I91 PolarHBondContact N-O 2.76Å; V89-I91 HydrophobicContact CG1-CB 4.32Å; I91-A140 HydrophobicContact CB-CB 3.86Å; I91-A140 HydrophobicContact CD1-CB 3.99Å; I91-A140 HydrophobicContact CG1-CB 3.84Å; I91-I237 HydrophobicContact CD1-CG2 4.15Å; I91-L240 HydrophobicContact CD1-CD2 4.21Å; I91-L240 HydrophobicContact CD1-CG 4.34Å; I91-E241 HydrophobicContact CD1-CB 3.67Å; I91-E241 HydrophobicContact CD1-CG 4.13Å
92	S	97.1	Very high	95	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	132	168.3	171.5	0	0	0	0	110.7	I54 N62 K94 S97	I54-S92 WeakPolarHBondContact O-CA 3.34Å; I54-S92 PolarHBondContact O-OG 3.24Å; N62-S92 PolarHBondContact ND2-OG 2.79Å; S92-K94 WeakPolarHBondContact OG-CB 3.46Å; S92-K94 PolarHBondContact OG-N 3.48Å; S92-K94 PolarHBondContact OG-O 3.12Å; S92-S97 WeakPolarHBondContact CB-O 3.26Å; S92-S97 PolarHBondContact OG-O 3.34Å
93	S	94.4	Very high	94.5	Very high	40 Å²	40	30.4 Å²	30.4	28%	0.28	18%	0.178	S	C	.	.			trans	-79.2	-11.2	168.2	-52.1	0	0	0	0	112.1	R53 I54 P95	R53-S93 VanDerWaalsContact CB-OG 3.31Å; R53-S93 WeakPolarHBondContact CB-OG 3.17Å; R53-S93 WeakPolarHBondContact CD-OG 3.33Å; I54-S93 PolarHBondContact O-N 3Å; I54-S93 VanDerWaalsContact O-N 3.09Å; S93-P95 WeakPolarHBondContact O-CD 3.44Å
94	K	93.5	Very high	94	Very high	22 Å²	22	23.5 Å²	23.5	10%	0.096	15%	0.146	C	C	.	.	S	Bend	trans	-83.8	119.6	-175.3	-167.2	173.6	-65.3	-71.2	0	111.1	N55 D56 S59 K60 N62 S92 G96 S97	N55-K94 WeakPolarHBondContact OD1-CE 3.02Å; N55-K94 PolarHBondContact OD1-NZ 3.5Å; D56-K94 VanDerWaalsContact O-CE 3.26Å; D56-K94 WeakPolarHBondContact O-CE 3.45Å; D56-K94 PolarHBondContact O-NZ 3.07Å; S59-K94 WeakPolarHBondContact O-CE 3.41Å; S59-K94 PolarHBondContact O-NZ 2.9Å; K60-K94 WeakPolarHBondContact O-CD 3.35Å; N62-K94 WeakPolarHBondContact OD1-CE 3.17Å; S92-K94 WeakPolarHBondContact OG-CB 3.46Å; S92-K94 PolarHBondContact OG-N 3.48Å; S92-K94 PolarHBondContact OG-O 3.12Å; K94-G96 PolarHBondContact O-N 2.91Å; K94-S97 PolarHBondContact O-N 3.34Å
95	P	90.5	Very high	93.5	Very high	67 Å²	67	23.8 Å²	23.8	44%	0.435	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	131	-179.6	-24.5	34.3	0	0	0	112.8	S93 S97 E233 I237	S93-P95 WeakPolarHBondContact O-CD 3.44Å; P95-S97 PolarHBondContact O-N 2.75Å; P95-E233 WeakPolarHBondContact CB-OE2 3.44Å; P95-I237 HydrophobicContact CG-CD1 4.39Å
96	G	88	Confident	93	Very high	21 Å²	21	25 Å²	25	22%	0.216	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	6.3	175.3	0	0	0	0	0	115.7	K94 G143 S144	K94-G96 PolarHBondContact O-N 2.91Å; G96-G143 WeakPolarHBondContact O-CA 3.42Å; G96-S144 PolarHBondContact O-N 3.49Å; G96-S144 VanDerWaalsContact O-N 3.12Å
97	S	94.3	Very high	92.4	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.007	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	122.4	177.5	-178.7	0	0	0	0	110.5	N62 S92 K94 P95 N142	N62-S97 PolarHBondContact N-OG 3.45Å; N62-S97 VanDerWaalsContact N-OG 3.11Å; S92-S97 WeakPolarHBondContact CB-O 3.26Å; S92-S97 PolarHBondContact OG-O 3.34Å; K94-S97 PolarHBondContact O-N 3.34Å; P95-S97 PolarHBondContact O-N 2.75Å; S97-N142 CarbonylContact C-O 3.55Å
98	F	97.3	Very high	91.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	-71.9	165.4	177.6	-109.3	0	0	0	107.6	N62 A139 A140 I141 N142 S144 C145 A153	N62-F98 VanDerWaalsContact CB-O 3.26Å; N62-F98 WeakPolarHBondContact CB-O 3.34Å; N62-F98 PolarHBondContact ND2-O 3.12Å; F98-A139 HydrophobicContact CZ-CB 4.5Å; F98-A140 WeakPolarHBondContact CD2-O 3.4Å; F98-I141 HydrophobicContact CB-CG2 4.15Å; F98-I141 HydrophobicContact CG-CG2 4.32Å; F98-N142 WeakPolarHBondContact CB-O 3.32Å; F98-N142 PolarHBondContact N-O 2.88Å; F98-S144 WeakPolarHBondContact CA-O 3.19Å; F98-S144 WeakPolarHBondContact CB-O 3.39Å; F98-S144 PolarHBondContact N-O 2.82Å; F98-C145 HydrophobicContact CB-CB 4.2Å; F98-C145 HydrophobicContact CD1-CB 4.07Å; F98-A153 HydrophobicContact CE1-CB 4.34Å
99	I	97.1	Very high	91.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	126.9	171	-59.1	176.9	0	0	0	107.3	I54 N62 L64 M68 S144 C145 L146 G149 L152	I54-I99 HydrophobicContact CD1-CD1 3.91Å; I54-I99 HydrophobicContact CD1-CG1 4.32Å; N62-I99 HydrophobicContact CB-CG1 4.42Å; N62-I99 CarbonylContact O-C 3.57Å; N62-I99 WeakPolarHBondContact O-CA 3.31Å; L64-I99 HydrophobicContact CD2-CD1 3.95Å; L64-I99 HydrophobicContact CD2-CG2 4.21Å; L64-I99 HydrophobicContact CG-CG2 3.92Å; M68-I99 HydrophobicContact CE-CD1 3.72Å; M68-I99 HydrophobicContact CE-CG1 4.21Å; I99-S144 CarbonylContact C-O 3.53Å; I99-S144 PolarHBondContact N-O 3.35Å; I99-S144 VanDerWaalsContact N-O 3.1Å; I99-S144 VanDerWaalsContact O-O 3.13Å; I99-C145 CarbonylContact O-C 3.56Å; I99-C145 VanDerWaalsContact O-CA 3.31Å; I99-C145 WeakPolarHBondContact O-CA 3.4Å; I99-L146 PolarHBondContact O-N 2.94Å; I99-G149 VanDerWaalsContact CG2-CA 3.48Å; I99-L152 HydrophobicContact CD1-CD2 3.52Å
100	A	91.5	Very high	91	Very high	33 Å²	33	29 Å²	29	27%	0.273	19%	0.185	S	C	.	.			trans	-87.1	-6.1	-175.8	0	0	0	0	0	114.3	V61 N62 L146	V61-A100 HydrophobicContact CB-CB 4.03Å; V61-A100 HydrophobicContact CG2-CB 4.03Å; N62-A100 PolarHBondContact O-N 3.26Å; A100-L146 CarbonylContact C-O 3.52Å
101	G	88	Confident	90.6	Very high	7 Å²	7	35.2 Å²	35.2	7%	0.072	22%	0.218	C	C	.	.			trans	136.6	-172.8	178.7	0	0	0	0	0	112.3	T63 L64 L146	T63-G101 CarbonylContact C-O 3.53Å; T63-G101 WeakPolarHBondContact CA-O 3.37Å; L64-G101 PolarHBondContact N-O 3.31Å; G101-L146 VanDerWaalsContact CA-O 3.25Å; G101-L146 WeakPolarHBondContact CA-O 3.48Å; G101-L146 PolarHBondContact N-O 2.93Å
102	A	86.1	Confident	90.4	Very high	40 Å²	40	37.7 Å²	37.7	33%	0.331	23%	0.234	S	C	.	.	B	Isolated β-bridge	trans	-70.1	149.8	167.5	0	0	0	0	0	110.8	I104	A102-I104 PolarHBondContact O-N 3.38Å
103	D	85.1	Confident	90.4	Very high	41 Å²	41	38.8 Å²	38.8	22%	0.219	24%	0.243	C	C	.	.			trans	-68.7	117.8	172	-173.4	-6.3	0	0	0	109.6	N105 M106	D103-N105 PolarHBondContact O-N 2.85Å; D103-N105 WeakPolarHBondContact OD1-CB 3.36Å; D103-N105 PolarHBondContact OD1-N 2.9Å; D103-N105 PolarHBondContact OD1-ND2 3.22Å; D103-M106 HydrophobicContact CB-CB 4.36Å; D103-M106 VanDerWaalsContact O-CB 3.23Å; D103-M106 WeakPolarHBondContact O-CB 3.35Å; D103-M106 PolarHBondContact O-N 3.42Å; D103-M106 VanDerWaalsContact O-N 3.09Å
104	I	86.8	Confident	90.5	Very high	20 Å²	20	42.6 Å²	42.6	10%	0.103	26%	0.256	C	S	.	.	H	α-helix	trans	-61.4	-32.6	179.5	-62.5	173.4	0	0	0	110.6	A102 M106 I107 Q108 L176 I340 Y343	A102-I104 PolarHBondContact O-N 3.38Å; I104-M106 PolarHBondContact O-N 3.03Å; I104-I107 PolarHBondContact O-N 3.33Å; I104-Q108 HydrophobicContact CG2-CG 4.21Å; I104-Q108 PolarHBondContact O-N 3.46Å; I104-L176 HydrophobicContact CD1-CD1 3.86Å; I104-L176 HydrophobicContact CD1-CD2 4.45Å; I104-L176 HydrophobicContact CG1-CD1 4.25Å; I104-I340 HydrophobicContact CG2-CD1 4.41Å; I104-I340 HydrophobicContact CG2-CG1 4.47Å; I104-I340 HydrophobicContact CG2-CG2 3.68Å; I104-Y343 HydrophobicContact CD1-CD1 3.62Å; I104-Y343 HydrophobicContact CD1-CE1 3.52Å
105	N	86.3	Confident	90.6	Very high	97 Å²	97	44.5 Å²	44.5	52%	0.519	27%	0.265	S	S	.	.	H	α-helix	trans	-62.7	-30.5	178.6	-57.1	-56.3	0	0	0	111.5	D103 I107 Q108 A109	D103-N105 PolarHBondContact O-N 2.85Å; D103-N105 WeakPolarHBondContact OD1-CB 3.36Å; D103-N105 PolarHBondContact OD1-N 2.9Å; D103-N105 PolarHBondContact OD1-ND2 3.22Å; N105-I107 VanDerWaalsContact C-N 3.35Å; N105-Q108 PolarHBondContact O-N 3.09Å; N105-A109 VanDerWaalsContact O-CB 3.27Å; N105-A109 WeakPolarHBondContact O-CB 3.49Å; N105-A109 PolarHBondContact O-N 3.4Å
106	M	86.5	Confident	90.9	Very high	28 Å²	28	41.3 Å²	41.3	14%	0.138	24%	0.244	C	C	.	.	H	α-helix	trans	-63.7	-41.3	175.2	-174.6	-175.5	72.2	0	0	111.5	V66 Q69 D103 I104 L119	V66-M106 HydrophobicContact CG2-CG 3.93Å; V66-M106 HydrophobicContact CG2-SD 3.91Å; Q69-M106 PolarHBondContact NE2-SD 3.08Å; Q69-M106 VanDerWaalsContact NE2-SD 3.43Å; D103-M106 HydrophobicContact CB-CB 4.36Å; D103-M106 VanDerWaalsContact O-CB 3.23Å; D103-M106 WeakPolarHBondContact O-CB 3.35Å; D103-M106 PolarHBondContact O-N 3.42Å; D103-M106 VanDerWaalsContact O-N 3.09Å; I104-M106 PolarHBondContact O-N 3.03Å; M106-L119 HydrophobicContact CE-CD1 4.16Å; M106-L119 HydrophobicContact CG-CD1 3.92Å; M106-L119 HydrophobicContact SD-CD1 4.38Å; M106-L119 HydrophobicContact SD-CD2 4.32Å
107	I	86.3	Confident	91.3	Very high	9 Å²	9	41 Å²	41	5%	0.046	24%	0.239	C	C	.	.	H	α-helix	trans	-71.2	-38.6	178.5	-57.3	170.9	0	0	0	110.3	I104 N105 A109 C110 V116 L178 F327 A331 R332	I104-I107 PolarHBondContact O-N 3.33Å; N105-I107 VanDerWaalsContact C-N 3.35Å; I107-A109 VanDerWaalsContact C-N 3.33Å; I107-C110 PolarHBondContact O-N 3.21Å; I107-V116 HydrophobicContact CG2-CG1 4.18Å; I107-V116 HydrophobicContact CG2-CG2 4.37Å; I107-L178 HydrophobicContact CD1-CD1 3.99Å; I107-F327 HydrophobicContact CD1-CE1 4.47Å; I107-F327 HydrophobicContact CD1-CZ 3.81Å; I107-F327 HydrophobicContact CG1-CZ 4.47Å; I107-A331 HydrophobicContact CG2-CB 3.8Å; I107-R332 PolarHBondContact O-NH2 3.16Å
108	Q	87.4	Confident	91.4	Very high	92 Å²	92	47.9 Å²	47.9	43%	0.43	26%	0.264	S	S	.	.	H	α-helix	trans	-71.2	-27.5	177.9	-69.8	-179.5	-52.3	0	0	113.1	I104 N105 C110	I104-Q108 HydrophobicContact CG2-CG 4.21Å; I104-Q108 PolarHBondContact O-N 3.46Å; N105-Q108 PolarHBondContact O-N 3.09Å; Q108-C110 VanDerWaalsContact C-N 3.31Å
109	A	89.6	Confident	91.2	Very high	75 Å²	75	50.2 Å²	50.2	62%	0.62	28%	0.277	S	S	*	.	H	α-helix	trans	-72.3	-22.9	177.2	0	0	0	0	0	113.4	N105 I107	N105-A109 VanDerWaalsContact O-CB 3.27Å; N105-A109 WeakPolarHBondContact O-CB 3.49Å; N105-A109 PolarHBondContact O-N 3.4Å; I107-A109 VanDerWaalsContact C-N 3.33Å
110	C	88.9	Confident	91.2	Very high	15 Å²	15	50.5 Å²	50.5	10%	0.101	28%	0.279	C	S	.	.			trans	-67.8	145.8	168.7	-67.2	0	0	0	0	110.1	I107 Q108 E115 V116 L119 R332	I107-C110 PolarHBondContact O-N 3.21Å; Q108-C110 VanDerWaalsContact C-N 3.31Å; C110-E115 WeakPolarHBondContact CA-OE2 3.35Å; C110-E115 HydrophobicContact CB-CB 3.84Å; C110-V116 HydrophobicContact CB-CG2 3.42Å; C110-V116 VanDerWaalsContact CB-CG2 3.42Å; C110-L119 WeakPolarHBondContact SG-CD1 3.17Å; C110-R332 PolarHBondContact O-NH1 2.8Å
111	N	89.7	Confident	91.5	Very high	130 Å²	130	51.7 Å²	51.7	70%	0.695	28%	0.279	S	S	*	.			trans	-98.4	-37.7	176.8	-63.7	-61.3	0	0	0	111.6	E115 R332	N111-E115 PolarHBondContact N-OE2 2.6Å; N111-R332 PolarHBondContact O-NH1 2.85Å; N111-R332 VanDerWaalsContact O-NH1 3.11Å
112	T	95	Very high	91.8	Very high	54 Å²	54	53.7 Å²	53.7	33%	0.331	29%	0.294	S	S	.	.	S	Bend	trans	-112.1	160.5	-175	89.2	0	0	0	0	113.5	E114 E115 V116	T112-E114 WeakPolarHBondContact CB-OE2 2.93Å; T112-E114 PolarHBondContact O-N 3.41Å; T112-E114 PolarHBondContact OG1-N 3.12Å; T112-E114 PolarHBondContact OG1-OE2 2.65Å; T112-E115 PolarHBondContact N-OE2 3.43Å; T112-E115 PolarHBondContact O-N 2.86Å; T112-E115 PolarHBondContact OG1-N 3.2Å; T112-V116 PolarHBondContact O-N 2.78Å
113	A	96.1	Very high	92.2	Very high	22 Å²	22	52.2 Å²	52.2	18%	0.182	28%	0.283	C	S	.	.	H	α-helix	trans	-63.6	-31.8	175.4	0	0	0	0	0	112.1	V116 T117 G328 R332	A113-V116 PolarHBondContact O-N 3.41Å; A113-T117 WeakPolarHBondContact O-CB 3.33Å; A113-T117 PolarHBondContact O-N 2.99Å; A113-T117 PolarHBondContact O-OG1 3.03Å; A113-G328 WeakPolarHBondContact CB-O 3.43Å; A113-G328 WeakPolarHBondContact O-CA 3.48Å; A113-R332 HydrophobicContact CB-CG 3.91Å
114	E	96.9	Very high	92.7	Very high	121 Å²	121	51 Å²	51	57%	0.565	28%	0.276	S	S	*	.	H	α-helix	trans	-71.5	-34.3	179.3	-58.8	73.8	-159.5	0	0	112	T112 R118	T112-E114 WeakPolarHBondContact CB-OE2 2.93Å; T112-E114 PolarHBondContact O-N 3.41Å; T112-E114 PolarHBondContact OG1-N 3.12Å; T112-E114 PolarHBondContact OG1-OE2 2.65Å; E114-R118 WeakPolarHBondContact O-CG 3.26Å; E114-R118 PolarHBondContact O-N 2.88Å; E114-R118 PolarHBondContact O-NE 2.93Å
115	E	95.9	Very high	93.2	Very high	61 Å²	61	55.8 Å²	55.8	29%	0.285	30%	0.298	S	S	.	.	H	α-helix	trans	-63.1	-46.1	172.1	-73.4	174.8	174.7	0	0	111.1	C110 N111 T112 R118 L119	C110-E115 WeakPolarHBondContact CA-OE2 3.35Å; C110-E115 HydrophobicContact CB-CB 3.84Å; N111-E115 PolarHBondContact N-OE2 2.6Å; T112-E115 PolarHBondContact N-OE2 3.43Å; T112-E115 PolarHBondContact O-N 2.86Å; T112-E115 PolarHBondContact OG1-N 3.2Å; E115-R118 PolarHBondContact O-N 3.09Å; E115-L119 PolarHBondContact O-N 3.43Å; E115-L119 VanDerWaalsContact O-N 3.07Å
116	V	95.4	Very high	93.6	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-67.1	-38.9	177.4	-176.8	0	0	0	0	111.6	I107 C110 T112 A113 R118 L119 S120 F327 A331	I107-V116 HydrophobicContact CG2-CG1 4.18Å; I107-V116 HydrophobicContact CG2-CG2 4.37Å; C110-V116 HydrophobicContact CB-CG2 3.42Å; C110-V116 VanDerWaalsContact CB-CG2 3.42Å; T112-V116 PolarHBondContact O-N 2.78Å; A113-V116 PolarHBondContact O-N 3.41Å; V116-R118 VanDerWaalsContact C-N 3.3Å; V116-R118 PolarHBondContact O-N 3.33Å; V116-L119 WeakPolarHBondContact O-CB 3.43Å; V116-L119 PolarHBondContact O-N 3Å; V116-S120 PolarHBondContact O-N 2.82Å; V116-F327 HydrophobicContact CG1-CD1 3.62Å; V116-F327 HydrophobicContact CG1-CE1 3.51Å; V116-A331 HydrophobicContact CB-CB 4.35Å; V116-A331 HydrophobicContact CG1-CB 3.73Å; V116-A331 HydrophobicContact CG2-CB 4.22Å
117	T	97.7	Very high	94.1	Very high	15 Å²	15	51.6 Å²	51.6	9%	0.092	28%	0.275	C	S	.	.	H	α-helix	trans	-56.6	-45.1	172.6	-60.9	0	0	0	0	111	A113 L119 S120 Q121 S324	A113-T117 WeakPolarHBondContact O-CB 3.33Å; A113-T117 PolarHBondContact O-N 2.99Å; A113-T117 PolarHBondContact O-OG1 3.03Å; T117-L119 PolarHBondContact O-N 3.43Å; T117-S120 WeakPolarHBondContact O-CB 3.43Å; T117-S120 PolarHBondContact O-N 2.83Å; T117-Q121 WeakPolarHBondContact O-CG 3.14Å; T117-Q121 PolarHBondContact O-N 3.33Å; T117-S324 PolarHBondContact OG1-O 3.12Å
118	R	96.2	Very high	94.6	Very high	145 Å²	145	54.4 Å²	54.4	55%	0.547	29%	0.288	S	S	.	.	H	α-helix	trans	-64	-38	177.7	-77.8	-179.6	-75.9	166.9	-5.5	112.8	E114 E115 V116 Q121 A122	E114-R118 WeakPolarHBondContact O-CG 3.26Å; E114-R118 PolarHBondContact O-N 2.88Å; E114-R118 PolarHBondContact O-NE 2.93Å; E115-R118 PolarHBondContact O-N 3.09Å; V116-R118 VanDerWaalsContact C-N 3.3Å; V116-R118 PolarHBondContact O-N 3.33Å; R118-Q121 PolarHBondContact O-N 3.28Å; R118-A122 WeakPolarHBondContact O-CB 3.41Å; R118-A122 PolarHBondContact O-N 3Å
119	L	93.6	Very high	95.1	Very high	50 Å²	50	55.7 Å²	55.7	26%	0.262	29%	0.289	S	S	.	.	H	α-helix	trans	-60.7	-45.8	173.4	-70.8	177.8	0	0	0	111.6	M106 C110 E115 V116 T117 A122 G123	M106-L119 HydrophobicContact CE-CD1 4.16Å; M106-L119 HydrophobicContact CG-CD1 3.92Å; M106-L119 HydrophobicContact SD-CD1 4.38Å; M106-L119 HydrophobicContact SD-CD2 4.32Å; C110-L119 WeakPolarHBondContact SG-CD1 3.17Å; E115-L119 PolarHBondContact O-N 3.43Å; E115-L119 VanDerWaalsContact O-N 3.07Å; V116-L119 WeakPolarHBondContact O-CB 3.43Å; V116-L119 PolarHBondContact O-N 3Å; T117-L119 PolarHBondContact O-N 3.43Å; L119-A122 PolarHBondContact O-N 2.85Å; L119-G123 PolarHBondContact O-N 2.93Å; L119-G123 VanDerWaalsContact O-N 3.09Å
120	S	96.6	Very high	95.4	Very high	6 Å²	6	52.1 Å²	52.1	4%	0.042	26%	0.259	C	S	.	.	H	α-helix	trans	-58.9	-48.3	175.1	166.6	0	0	0	0	111.3	V116 T117 A122 G123 Q124 G181 S324	V116-S120 PolarHBondContact O-N 2.82Å; T117-S120 WeakPolarHBondContact O-CB 3.43Å; T117-S120 PolarHBondContact O-N 2.83Å; S120-A122 VanDerWaalsContact C-N 3.35Å; S120-A122 PolarHBondContact O-N 2.87Å; S120-G123 PolarHBondContact O-N 3.28Å; S120-Q124 VanDerWaalsContact O-CG 3.3Å; S120-Q124 WeakPolarHBondContact O-CG 3.32Å; S120-Q124 PolarHBondContact O-N 2.96Å; S120-G181 WeakPolarHBondContact CA-O 3.49Å; S120-G181 WeakPolarHBondContact CB-O 3.3Å; S120-G181 PolarHBondContact OG-O 3.28Å; S120-S324 VanDerWaalsContact OG-CA 3.23Å; S120-S324 WeakPolarHBondContact OG-CA 3.47Å; S120-S324 VanDerWaalsContact OG-CB 3.26Å; S120-S324 WeakPolarHBondContact OG-CB 3.4Å
121	Q	96.8	Very high	95.8	Very high	58 Å²	58	54.4 Å²	54.4	27%	0.271	27%	0.269	S	S	.	.	H	α-helix	trans	-59.5	-42.2	177.8	-71.2	172.4	-11.8	0	0	112.8	T117 R118 G123 Q124 Q125 S324	T117-Q121 WeakPolarHBondContact O-CG 3.14Å; T117-Q121 PolarHBondContact O-N 3.33Å; R118-Q121 PolarHBondContact O-N 3.28Å; Q121-G123 VanDerWaalsContact C-N 3.34Å; Q121-G123 PolarHBondContact O-N 2.9Å; Q121-Q124 PolarHBondContact O-N 3.49Å; Q121-Q125 WeakPolarHBondContact O-CB 3.26Å; Q121-Q125 VanDerWaalsContact O-CG 3.24Å; Q121-Q125 WeakPolarHBondContact O-CG 3.34Å; Q121-Q125 PolarHBondContact O-N 2.83Å; Q121-S324 WeakPolarHBondContact CG-OG 3.46Å; Q121-S324 PolarHBondContact NE2-OG 3.47Å
122	A	93.9	Very high	96.1	Very high	49 Å²	49	57.2 Å²	57.2	41%	0.405	27%	0.27	S	S	.	.	H	α-helix	trans	-61.5	-43.6	176.7	0	0	0	0	0	111.6	R118 L119 S120 Q125 M126	R118-A122 WeakPolarHBondContact O-CB 3.41Å; R118-A122 PolarHBondContact O-N 3Å; L119-A122 PolarHBondContact O-N 2.85Å; S120-A122 VanDerWaalsContact C-N 3.35Å; S120-A122 PolarHBondContact O-N 2.87Å; A122-Q125 PolarHBondContact O-N 3.4Å; A122-M126 PolarHBondContact O-N 3.43Å; A122-M126 VanDerWaalsContact O-N 3.12Å
123	G	94.5	Very high	96.2	Very high	9 Å²	9	55.7 Å²	55.7	9%	0.093	26%	0.261	C	S	.	.	H	α-helix	trans	-61.7	-46	174	0	0	0	0	0	112.6	L119 S120 Q121 Q125 M126 F127	L119-G123 PolarHBondContact O-N 2.93Å; L119-G123 VanDerWaalsContact O-N 3.09Å; S120-G123 PolarHBondContact O-N 3.28Å; Q121-G123 VanDerWaalsContact C-N 3.34Å; Q121-G123 PolarHBondContact O-N 2.9Å; G123-Q125 PolarHBondContact O-N 3.05Å; G123-M126 PolarHBondContact O-N 3.49Å; G123-F127 WeakPolarHBondContact O-CB 3.2Å; G123-F127 WeakPolarHBondContact O-CG 3.27Å; G123-F127 PolarHBondContact O-N 3.27Å
124	Q	97.1	Very high	96.2	Very high	14 Å²	14	60.1 Å²	60.1	7%	0.065	29%	0.29	C	S	.	.	H	α-helix	trans	-57.7	-46.2	176.1	-70.2	172.8	-8.2	0	0	112	S120 Q121 F127 E128 Y320 E323	S120-Q124 VanDerWaalsContact O-CG 3.3Å; S120-Q124 WeakPolarHBondContact O-CG 3.32Å; S120-Q124 PolarHBondContact O-N 2.96Å; Q121-Q124 PolarHBondContact O-N 3.49Å; Q124-F127 PolarHBondContact O-N 2.9Å; Q124-E128 WeakPolarHBondContact O-CB 3.39Å; Q124-E128 PolarHBondContact O-N 3.38Å; Q124-Y320 HydrophobicContact CB-CD1 4.29Å; Q124-Y320 HydrophobicContact CG-CD1 3.95Å; Q124-Y320 PolarHBondContact NE2-O 3.08Å; Q124-Y320 PolarHBondContact OE1-O 3.05Å; Q124-E323 PolarHBondContact NE2-OE1 3.02Å
125	Q	96	Very high	96.2	Very high	122 Å²	122	55.3 Å²	55.3	57%	0.57	27%	0.268	S	S	*	.	H	α-helix	trans	-61.5	-45.7	179.8	-74.2	170.1	12	0	0	111.9	Q121 A122 G123 E128 R129	Q121-Q125 WeakPolarHBondContact O-CB 3.26Å; Q121-Q125 VanDerWaalsContact O-CG 3.24Å; Q121-Q125 WeakPolarHBondContact O-CG 3.34Å; Q121-Q125 PolarHBondContact O-N 2.83Å; A122-Q125 PolarHBondContact O-N 3.4Å; G123-Q125 PolarHBondContact O-N 3.05Å; Q125-E128 PolarHBondContact O-N 3.04Å; Q125-R129 WeakPolarHBondContact O-CG 3.46Å; Q125-R129 PolarHBondContact O-N 3.09Å; Q125-R129 VanDerWaalsContact O-N 3.07Å
126	M	95.1	Very high	96.3	Very high	23 Å²	23	53.4 Å²	53.4	11%	0.113	26%	0.261	C	S	.	.	H	α-helix	trans	-60.7	-47.4	175.9	175.5	52.5	81.1	0	0	111.2	T73 W80 A122 G123 E128 R129 I130	T73-M126 VanDerWaalsContact CA-CE 3.5Å; T73-M126 HydrophobicContact CG2-CE 3.59Å; T73-M126 WeakPolarHBondContact OG1-CE 3.22Å; W80-M126 HydrophobicContact CH2-SD 4.12Å; W80-M126 HydrophobicContact CZ3-SD 4.5Å; A122-M126 PolarHBondContact O-N 3.43Å; A122-M126 VanDerWaalsContact O-N 3.12Å; G123-M126 PolarHBondContact O-N 3.49Å; M126-E128 VanDerWaalsContact C-N 3.31Å; M126-E128 PolarHBondContact O-N 3.17Å; M126-R129 WeakPolarHBondContact O-CB 3.34Å; M126-R129 PolarHBondContact O-N 2.8Å; M126-R129 VanDerWaalsContact O-N 3.15Å; M126-I130 HydrophobicContact CG-CD1 4.36Å; M126-I130 PolarHBondContact O-N 3.03Å; M126-I130 HydrophobicContact SD-CD1 4.4Å; M126-I130 HydrophobicContact SD-CG1 4.44Å
127	F	97.1	Very high	96.4	Very high	14 Å²	14	53.5 Å²	53.5	6%	0.061	26%	0.261	C	S	.	.	H	α-helix	trans	-69.1	-31.5	-177.7	-69.7	5.2	0	0	0	111.9	L64 G123 Q124 I130 E131 E151 L152 A155 A182	L64-F127 HydrophobicContact CD1-CZ 4.13Å; G123-F127 WeakPolarHBondContact O-CB 3.2Å; G123-F127 WeakPolarHBondContact O-CG 3.27Å; G123-F127 PolarHBondContact O-N 3.27Å; Q124-F127 PolarHBondContact O-N 2.9Å; F127-I130 HydrophobicContact CD1-CD1 4.31Å; F127-I130 PolarHBondContact O-N 2.98Å; F127-E131 WeakPolarHBondContact O-CB 3.43Å; F127-E131 PolarHBondContact O-N 3.23Å; F127-E151 HydrophobicContact CD2-CB 4.11Å; F127-E151 HydrophobicContact CE2-CB 3.78Å; F127-L152 HydrophobicContact CD1-CD1 3.88Å; F127-L152 HydrophobicContact CE1-CB 4.04Å; F127-L152 HydrophobicContact CE1-CD1 3.62Å; F127-L152 HydrophobicContact CE1-CG 4.35Å; F127-L152 HydrophobicContact CE2-CB 4.04Å; F127-L152 HydrophobicContact CZ-CB 3.69Å; F127-L152 HydrophobicContact CZ-CD1 4.18Å; F127-L152 HydrophobicContact CZ-CG 4.46Å; F127-A155 HydrophobicContact CB-CB 3.82Å; F127-A155 HydrophobicContact CG-CB 4.3Å; F127-A155 WeakPolarHBondContact O-CB 3.34Å; F127-A182 HydrophobicContact CD2-CB 3.64Å; F127-A182 WeakPolarHBondContact CD2-O 3.23Å; F127-A182 HydrophobicContact CE2-CB 3.49Å; F127-A182 VanDerWaalsContact CE2-CB 3.49Å; F127-A182 HydrophobicContact CZ-CB 4.44Å
128	E	97	Very high	96.4	Very high	68 Å²	68	52.8 Å²	52.8	32%	0.318	26%	0.257	S	S	.	.	H	α-helix	trans	-64.7	-39.7	171.1	-176.7	171.5	-151.4	0	0	112.1	Q124 Q125 M126 I130 E131 R132	Q124-E128 WeakPolarHBondContact O-CB 3.39Å; Q124-E128 PolarHBondContact O-N 3.38Å; Q125-E128 PolarHBondContact O-N 3.04Å; M126-E128 VanDerWaalsContact C-N 3.31Å; M126-E128 PolarHBondContact O-N 3.17Å; E128-I130 VanDerWaalsContact C-N 3.32Å; E128-I130 PolarHBondContact O-N 2.88Å; E128-E131 PolarHBondContact O-N 3.15Å; E128-R132 HydrophobicContact CG-CG 4.38Å; E128-R132 WeakPolarHBondContact O-CB 3.4Å; E128-R132 WeakPolarHBondContact O-CG 3.29Å; E128-R132 PolarHBondContact O-N 3.06Å; E128-R132 IonicContact OE1-CZ 3.17Å; E128-R132 IonicContact OE1-NE 3.99Å; E128-R132 PolarHBondContact OE1-NE 3.44Å; E128-R132 VanDerWaalsContact OE1-NE 3.13Å; E128-R132 IonicContact OE1-NH2 2.57Å; E128-R132 PolarHBondContact OE1-NH2 3.25Å
129	R	97.3	Very high	96.6	Very high	118 Å²	118	45.9 Å²	45.9	45%	0.445	23%	0.231	S	C	.	.	H	α-helix	trans	-62.5	-39.6	173.6	-70.1	176.6	68.7	-165.3	-1.8	111.9	N77 W80 Q125 M126 S133	N77-R129 PolarHBondContact OD1-NH1 2.81Å; N77-R129 PolarHBondContact OD1-NH2 2.95Å; W80-R129 VanDerWaalsContact CE3-NH2 3.33Å; W80-R129 HydrophobicContact CH2-CB 3.59Å; W80-R129 HydrophobicContact CZ2-CB 4.11Å; W80-R129 HydrophobicContact CZ3-CB 4.29Å; W80-R129 VanDerWaalsContact CZ3-CZ 3.45Å; W80-R129 VanDerWaalsContact CZ3-NH2 3.25Å; Q125-R129 WeakPolarHBondContact O-CG 3.46Å; Q125-R129 PolarHBondContact O-N 3.09Å; Q125-R129 VanDerWaalsContact O-N 3.07Å; M126-R129 WeakPolarHBondContact O-CB 3.34Å; M126-R129 PolarHBondContact O-N 2.8Å; M126-R129 VanDerWaalsContact O-N 3.15Å; R129-S133 PolarHBondContact O-N 3.39Å
130	I	97.6	Very high	96.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-62.6	-47.1	172.8	-67.7	174.3	0	0	0	110.5	M76 W80 M126 F127 E128 R132 S133 I137 L152 A155 Q157	M76-I130 HydrophobicContact CE-CG1 4.39Å; W80-I130 HydrophobicContact CH2-CG1 4.26Å; W80-I130 HydrophobicContact CZ2-CG1 4.16Å; M126-I130 HydrophobicContact CG-CD1 4.36Å; M126-I130 PolarHBondContact O-N 3.03Å; M126-I130 HydrophobicContact SD-CD1 4.4Å; M126-I130 HydrophobicContact SD-CG1 4.44Å; F127-I130 HydrophobicContact CD1-CD1 4.31Å; F127-I130 PolarHBondContact O-N 2.98Å; E128-I130 VanDerWaalsContact C-N 3.32Å; E128-I130 PolarHBondContact O-N 2.88Å; I130-R132 VanDerWaalsContact C-N 3.34Å; I130-R132 PolarHBondContact O-N 3.43Å; I130-S133 WeakPolarHBondContact O-CB 3.43Å; I130-S133 PolarHBondContact O-N 2.88Å; I130-I137 HydrophobicContact CB-CD1 4.3Å; I130-I137 HydrophobicContact CG1-CD1 4.4Å; I130-I137 HydrophobicContact CG2-CD1 3.77Å; I130-L152 HydrophobicContact CD1-CD1 3.46Å; I130-L152 VanDerWaalsContact CD1-CD1 3.46Å; I130-A155 HydrophobicContact CB-CB 4.29Å; I130-A155 HydrophobicContact CG2-CB 4.01Å; I130-Q157 PolarHBondContact O-NE2 3.34Å
131	E	96.8	Very high	96.9	Very high	64 Å²	64	43.2 Å²	43.2	30%	0.299	22%	0.216	S	C	.	.	H	α-helix	trans	-61.9	-39.4	-179.6	-177.1	176.3	-176.7	0	0	112.8	F127 E128 A155 Q157 R187	F127-E131 WeakPolarHBondContact O-CB 3.43Å; F127-E131 PolarHBondContact O-N 3.23Å; E128-E131 PolarHBondContact O-N 3.15Å; E131-A155 WeakPolarHBondContact CA-O 3.16Å; E131-A155 PolarHBondContact N-O 3.41Å; E131-Q157 PolarHBondContact O-NE2 2.65Å; E131-R187 IonicContact OE2-CZ 3.68Å; E131-R187 IonicContact OE2-NE 2.56Å; E131-R187 PolarHBondContact OE2-NE 3.29Å; E131-R187 IonicContact OE2-NH2 2.88Å; E131-R187 PolarHBondContact OE2-NH2 3.11Å
132	R	96.4	Very high	96.9	Very high	189 Å²	189	41.1 Å²	41.1	71%	0.713	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.4	9.6	179.2	-61.1	-175.7	-176.5	-159.5	5.9	113.8	E128 I130 S134	E128-R132 HydrophobicContact CG-CG 4.38Å; E128-R132 WeakPolarHBondContact O-CB 3.4Å; E128-R132 WeakPolarHBondContact O-CG 3.29Å; E128-R132 PolarHBondContact O-N 3.06Å; E128-R132 IonicContact OE1-CZ 3.17Å; E128-R132 IonicContact OE1-NE 3.99Å; E128-R132 PolarHBondContact OE1-NE 3.44Å; E128-R132 VanDerWaalsContact OE1-NE 3.13Å; E128-R132 IonicContact OE1-NH2 2.57Å; E128-R132 PolarHBondContact OE1-NH2 3.25Å; I130-R132 VanDerWaalsContact C-N 3.34Å; I130-R132 PolarHBondContact O-N 3.43Å; R132-S134 PolarHBondContact O-N 3.24Å
133	S	96.8	Very high	97	Very high	21 Å²	21	38.8 Å²	38.8	15%	0.147	19%	0.187	C	C	.	.			trans	-57.1	133.5	-178.1	-179.8	0	0	0	0	111.5	W80 R129 I130 K135	W80-S133 PolarHBondContact NE1-OG 3.31Å; R129-S133 PolarHBondContact O-N 3.39Å; I130-S133 WeakPolarHBondContact O-CB 3.43Å; I130-S133 PolarHBondContact O-N 2.88Å; S133-K135 WeakPolarHBondContact CB-O 3.45Å; S133-K135 PolarHBondContact O-N 3.41Å; S133-K135 PolarHBondContact OG-N 2.8Å; S133-K135 PolarHBondContact OG-O 3.21Å
134	S	94.7	Very high	97.1	Very high	115 Å²	115	39.8 Å²	39.8	80%	0.804	19%	0.193	S	C	*	.	S	Bend	trans	-71.4	-22.2	172.2	56.3	0	0	0	0	112.6	R132	R132-S134 PolarHBondContact O-N 3.24Å
135	K	97.4	Very high	97.2	Very high	21 Å²	21	39.1 Å²	39.1	9%	0.091	19%	0.19	C	C	.	.	S	Bend	trans	-97.7	121.5	173.1	-61.1	179.2	-172.3	179.6	0	108.3	V79 W80 D82 V85 S133 I137	V79-K135 PolarHBondContact O-NZ 3.12Å; W80-K135 WeakPolarHBondContact O-CE 3.46Å; W80-K135 PolarHBondContact O-NZ 3.47Å; D82-K135 PolarHBondContact O-NZ 3.3Å; V85-K135 HydrophobicContact CG1-CD 4.42Å; V85-K135 WeakPolarHBondContact O-CD 3.36Å; V85-K135 WeakPolarHBondContact O-CE 3.46Å; V85-K135 PolarHBondContact O-NZ 3.05Å; S133-K135 WeakPolarHBondContact CB-O 3.45Å; S133-K135 PolarHBondContact O-N 3.41Å; S133-K135 PolarHBondContact OG-N 2.8Å; S133-K135 PolarHBondContact OG-O 3.21Å; K135-I137 WeakPolarHBondContact O-CG1 3.47Å
136	P	97.4	Very high	97.2	Very high	21 Å²	21	34.6 Å²	34.6	14%	0.136	17%	0.17	C	C	.	.			trans	-61.6	137.9	179.8	-23.8	34.4	0	0	0	112.3	K86 S87 A88 I251 A252	K86-P136 WeakPolarHBondContact O-CD 3.35Å; S87-P136 CarbonylContact C-O 3.48Å; S87-P136 WeakPolarHBondContact CA-O 3.34Å; S87-P136 WeakPolarHBondContact CB-O 3.35Å; A88-P136 PolarHBondContact N-O 3.42Å; P136-I251 HydrophobicContact CB-CB 4.15Å; P136-I251 HydrophobicContact CB-CG2 3.53Å; P136-I251 HydrophobicContact CG-CB 4.46Å; P136-I251 HydrophobicContact CG-CG2 3.72Å; P136-A252 HydrophobicContact CG-CB 4.34Å
137	I	98.6	Very high	97.3	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	126	-178.7	-53	169.6	0	0	0	109.5	M76 A88 L90 I130 K135 C156 Q157 Y158	M76-I137 HydrophobicContact CE-CD1 3.55Å; A88-I137 HydrophobicContact CB-CG1 4.34Å; A88-I137 CarbonylContact O-C 3.43Å; A88-I137 WeakPolarHBondContact O-CA 3.16Å; L90-I137 HydrophobicContact CD1-CG2 4.03Å; L90-I137 HydrophobicContact CG-CG2 3.81Å; I130-I137 HydrophobicContact CB-CD1 4.3Å; I130-I137 HydrophobicContact CG1-CD1 4.4Å; I130-I137 HydrophobicContact CG2-CD1 3.77Å; K135-I137 WeakPolarHBondContact O-CG1 3.47Å; I137-C156 HydrophobicContact CG2-CB 4.48Å; I137-Q157 PolarHBondContact O-N 2.93Å; I137-Q157 PolarHBondContact O-OE1 3.48Å; I137-Y158 PolarHBondContact O-N 3.36Å
138	V	98.8	Very high	97.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	121	179	-179.4	0	0	0	0	110.2	A88 V89 L90 I160 A244 A248 I251	A88-V138 PolarHBondContact O-N 3.09Å; V89-V138 CarbonylContact C-O 3.58Å; V89-V138 WeakPolarHBondContact CA-O 3.24Å; V89-V138 HydrophobicContact CG2-CB 4.36Å; L90-V138 PolarHBondContact N-O 3.44Å; V138-I160 HydrophobicContact CG1-CD1 3.94Å; V138-I160 HydrophobicContact CG1-CG1 3.98Å; V138-A244 HydrophobicContact CG1-CB 4.18Å; V138-A248 HydrophobicContact CB-CB 4.43Å; V138-A248 HydrophobicContact CG2-CB 3.68Å; V138-I251 HydrophobicContact CG2-CD1 3.93Å
139	A	98.8	Very high	97.3	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	114.1	169.9	0	0	0	0	0	110.5	F98 I141 A153 C156 Y158 R159 I160	F98-A139 HydrophobicContact CZ-CB 4.5Å; A139-I141 HydrophobicContact CB-CG1 4.29Å; A139-A153 HydrophobicContact CB-CB 3.97Å; A139-C156 HydrophobicContact CB-CB 3.97Å; A139-Y158 PolarHBondContact N-O 2.93Å; A139-R159 HydrophobicContact CB-CG 4.19Å; A139-R159 WeakPolarHBondContact O-CA 3.48Å; A139-I160 PolarHBondContact O-N 3.42Å
140	A	98.6	Very high	97.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	95.5	175.9	0	0	0	0	0	110.1	V89 L90 I91 F98 L240 A244	V89-A140 HydrophobicContact CG1-CB 3.97Å; L90-A140 PolarHBondContact O-N 2.72Å; I91-A140 HydrophobicContact CB-CB 3.86Å; I91-A140 HydrophobicContact CD1-CB 3.99Å; I91-A140 HydrophobicContact CG1-CB 3.84Å; F98-A140 WeakPolarHBondContact CD2-O 3.4Å; A140-L240 HydrophobicContact CB-CD2 4.13Å; A140-L240 HydrophobicContact CB-CG 4.05Å; A140-A244 HydrophobicContact CB-CB 3.79Å
141	I	98.6	Very high	97.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	108.2	-167.3	-55.2	170.5	0	0	0	110.6	F98 A139 C145 A153 R159 I160 A161 T162 T167 L169	F98-I141 HydrophobicContact CB-CG2 4.15Å; F98-I141 HydrophobicContact CG-CG2 4.32Å; A139-I141 HydrophobicContact CB-CG1 4.29Å; I141-C145 HydrophobicContact CG2-CB 3.53Å; I141-A153 HydrophobicContact CD1-CB 3.98Å; I141-R159 HydrophobicContact CD1-CB 4.35Å; I141-R159 HydrophobicContact CD1-CG 4.33Å; I141-I160 WeakPolarHBondContact CB-O 3.38Å; I141-I160 PolarHBondContact N-O 2.91Å; I141-A161 HydrophobicContact CB-CB 4Å; I141-A161 HydrophobicContact CG2-CB 4.41Å; I141-A161 VanDerWaalsContact O-CA 3.3Å; I141-A161 WeakPolarHBondContact O-CA 3.18Å; I141-T162 PolarHBondContact O-N 2.9Å; I141-T167 HydrophobicContact CG2-CG2 4.34Å; I141-L169 HydrophobicContact CD1-CD2 3.92Å
142	N	96.1	Very high	97.4	Very high	14 Å²	14	21.7 Å²	21.7	8%	0.075	12%	0.117	C	C	.	.			trans	-111.9	128.3	167.3	-174	42.1	0	0	0	110.8	S97 F98 T162 I237 L240	S97-N142 CarbonylContact C-O 3.55Å; F98-N142 WeakPolarHBondContact CB-O 3.32Å; F98-N142 PolarHBondContact N-O 2.88Å; N142-T162 HydrophobicContact CB-CG2 4.32Å; N142-T162 PolarHBondContact OD1-OG1 2.89Å; N142-I237 WeakPolarHBondContact ND2-CG1 3.35Å; N142-L240 HydrophobicContact CB-CD2 3.89Å
143	G	96.1	Very high	97.5	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	8%	0.083	C	C	.	.	S	Bend	trans	74.4	-150.8	176.6	0	0	0	0	0	114.5	G96 C145 K166 T167 V168	G96-G143 WeakPolarHBondContact O-CA 3.42Å; G143-C145 PolarHBondContact O-N 3.31Å; G143-K166 CarbonylContact C-O 3.52Å; G143-T167 PolarHBondContact N-OG1 2.92Å; G143-T167 VanDerWaalsContact N-OG1 3.09Å; G143-T167 WeakPolarHBondContact O-CA 3.38Å; G143-T167 WeakPolarHBondContact O-CG2 3.32Å; G143-V168 PolarHBondContact O-N 3Å
144	S	97.1	Very high	97.6	Very high	31 Å²	31	12 Å²	12	22%	0.217	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	123.5	-175.1	-60.5	0	0	0	0	112.2	G96 F98 I99	G96-S144 PolarHBondContact O-N 3.49Å; G96-S144 VanDerWaalsContact O-N 3.12Å; F98-S144 WeakPolarHBondContact CA-O 3.19Å; F98-S144 WeakPolarHBondContact CB-O 3.39Å; F98-S144 PolarHBondContact N-O 2.82Å; I99-S144 CarbonylContact C-O 3.53Å; I99-S144 PolarHBondContact N-O 3.35Å; I99-S144 VanDerWaalsContact N-O 3.1Å; I99-S144 VanDerWaalsContact O-O 3.13Å
145	C	98.2	Very high	97.7	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	84	175.7	-179.6	0	0	0	0	108.6	F98 I99 I141 G143 V168 L169 G170	F98-C145 HydrophobicContact CB-CB 4.2Å; F98-C145 HydrophobicContact CD1-CB 4.07Å; I99-C145 CarbonylContact O-C 3.56Å; I99-C145 VanDerWaalsContact O-CA 3.31Å; I99-C145 WeakPolarHBondContact O-CA 3.4Å; I141-C145 HydrophobicContact CG2-CB 3.53Å; G143-C145 PolarHBondContact O-N 3.31Å; C145-V168 PolarHBondContact N-O 3.38Å; C145-L169 HydrophobicContact CB-CG 4.28Å; C145-L169 VanDerWaalsContact O-CA 3.28Å; C145-L169 WeakPolarHBondContact O-CA 3.24Å; C145-G170 PolarHBondContact O-N 3.18Å
146	L	97.8	Very high	97.8	Very high	26 Å²	26	5.9 Å²	5.9	14%	0.136	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	148	-167	-57.7	177.5	0	0	0	111.1	I99 A100 G101 G148 G149 V168 G170 P172 N206	I99-L146 PolarHBondContact O-N 2.94Å; A100-L146 CarbonylContact C-O 3.52Å; G101-L146 VanDerWaalsContact CA-O 3.25Å; G101-L146 WeakPolarHBondContact CA-O 3.48Å; G101-L146 PolarHBondContact N-O 2.93Å; L146-G148 PolarHBondContact O-N 3.12Å; L146-G149 PolarHBondContact O-N 3.41Å; L146-V168 HydrophobicContact CD2-CG2 4.14Å; L146-G170 CarbonylContact C-O 3.48Å; L146-G170 WeakPolarHBondContact CA-O 3.3Å; L146-P172 HydrophobicContact CB-CG 4.24Å; L146-N206 WeakPolarHBondContact CD2-OD1 3.32Å
147	G	96.5	Very high	97.8	Very high	3 Å²	3	6.8 Å²	6.8	3%	0.031	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	-123.9	178.1	0	0	0	0	0	113.4	G149 L150 E151 G170 E173	G147-G149 PolarHBondContact O-N 2.81Å; G147-L150 WeakPolarHBondContact O-CA 3.47Å; G147-L150 WeakPolarHBondContact O-CB 3.25Å; G147-L150 PolarHBondContact O-N 2.9Å; G147-E151 PolarHBondContact O-N 2.74Å; G147-G170 PolarHBondContact N-O 3.48Å; G147-E173 WeakPolarHBondContact CA-OE1 3.47Å
148	G	96	Very high	97.8	Very high	5 Å²	5	7.8 Å²	7.8	5%	0.052	4%	0.043	C	C	.	.	H	α-helix	trans	-50.7	-29.1	175.4	0	0	0	0	0	115	L146 E151 L152	L146-G148 PolarHBondContact O-N 3.12Å; G148-E151 WeakPolarHBondContact CA-OE2 3.5Å; G148-E151 PolarHBondContact O-N 3.07Å; G148-L152 PolarHBondContact O-N 2.99Å
149	G	97.1	Very high	97.7	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-65.2	-40.5	172.1	0	0	0	0	0	113.8	I99 L146 G147 A153	I99-G149 VanDerWaalsContact CG2-CA 3.48Å; L146-G149 PolarHBondContact O-N 3.41Å; G147-G149 PolarHBondContact O-N 2.81Å; G149-A153 PolarHBondContact O-N 3.29Å
150	L	98.4	Very high	97.7	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-70.3	-39.5	172.1	-177	57.6	0	0	0	110.9	G147 L152 A153 L154 L169 T171 M200 L217	G147-L150 WeakPolarHBondContact O-CA 3.47Å; G147-L150 WeakPolarHBondContact O-CB 3.25Å; G147-L150 PolarHBondContact O-N 2.9Å; L150-L152 VanDerWaalsContact C-N 3.3Å; L150-L152 PolarHBondContact O-N 2.93Å; L150-A153 CarbonylContact O-C 3.41Å; L150-A153 PolarHBondContact O-N 3.13Å; L150-A153 VanDerWaalsContact O-N 3.11Å; L150-L154 HydrophobicContact CD1-CG 4.31Å; L150-L154 HydrophobicContact CG-CD1 4.15Å; L150-L154 HydrophobicContact CG-CG 4.21Å; L150-L154 WeakPolarHBondContact O-CB 3.31Å; L150-L154 WeakPolarHBondContact O-CG 3.47Å; L150-L154 PolarHBondContact O-N 2.74Å; L150-L169 HydrophobicContact CD1-CB 4.25Å; L150-L169 HydrophobicContact CD1-CD2 3.85Å; L150-L169 HydrophobicContact CD2-CB 4.41Å; L150-T171 HydrophobicContact CD2-CG2 4.29Å; L150-M200 HydrophobicContact CD2-CE 3.49Å; L150-M200 VanDerWaalsContact CD2-CE 3.49Å; L150-L217 HydrophobicContact CD1-CD1 4.22Å; L150-L217 HydrophobicContact CD2-CD2 4.47Å
151	E	98.3	Very high	97.7	Very high	6 Å²	6	8.3 Å²	8.3	3%	0.028	5%	0.045	C	C	.	.	H	α-helix	trans	-59.3	-40.3	176.4	-62.5	-176.8	103.7	0	0	112.1	F127 G147 G148 L154 A155 P180 G181 A182 G183 G184	F127-E151 HydrophobicContact CD2-CB 4.11Å; F127-E151 HydrophobicContact CE2-CB 3.78Å; G147-E151 PolarHBondContact O-N 2.74Å; G148-E151 WeakPolarHBondContact CA-OE2 3.5Å; G148-E151 PolarHBondContact O-N 3.07Å; E151-L154 PolarHBondContact O-N 3.33Å; E151-A155 PolarHBondContact O-N 3.23Å; E151-A155 VanDerWaalsContact O-N 3.11Å; E151-P180 VanDerWaalsContact OE1-CB 3.27Å; E151-P180 WeakPolarHBondContact OE1-CB 3.38Å; E151-G181 PolarHBondContact OE1-N 3.43Å; E151-G181 PolarHBondContact OE2-N 3.28Å; E151-A182 HydrophobicContact CB-CB 4.21Å; E151-A182 VanDerWaalsContact OE1-C 3.3Å; E151-A182 WeakPolarHBondContact OE1-CA 3.36Å; E151-A182 PolarHBondContact OE1-N 3.07Å; E151-A182 PolarHBondContact OE2-N 3.29Å; E151-G183 PolarHBondContact OE1-N 3.24Å; E151-G184 WeakPolarHBondContact OE1-CA 3.49Å; E151-G184 PolarHBondContact OE1-N 3.37Å
152	L	98.1	Very high	97.7	Very high	3 Å²	3	8.3 Å²	8.3	2%	0.016	5%	0.045	C	C	.	.	H	α-helix	trans	-62	-47.3	171.2	176.8	60.8	0	0	0	111.8	L90 I99 F127 I130 G148 L150 L154 A155 C156	L90-L152 HydrophobicContact CD1-CD1 4.09Å; L90-L152 HydrophobicContact CD1-CD2 4.27Å; L90-L152 HydrophobicContact CD1-CG 4.23Å; I99-L152 HydrophobicContact CD1-CD2 3.52Å; F127-L152 HydrophobicContact CD1-CD1 3.88Å; F127-L152 HydrophobicContact CE1-CB 4.04Å; F127-L152 HydrophobicContact CE1-CD1 3.62Å; F127-L152 HydrophobicContact CE1-CG 4.35Å; F127-L152 HydrophobicContact CE2-CB 4.04Å; F127-L152 HydrophobicContact CZ-CB 3.69Å; F127-L152 HydrophobicContact CZ-CD1 4.18Å; F127-L152 HydrophobicContact CZ-CG 4.46Å; I130-L152 HydrophobicContact CD1-CD1 3.46Å; I130-L152 VanDerWaalsContact CD1-CD1 3.46Å; G148-L152 PolarHBondContact O-N 2.99Å; L150-L152 VanDerWaalsContact C-N 3.3Å; L150-L152 PolarHBondContact O-N 2.93Å; L152-L154 VanDerWaalsContact C-N 3.26Å; L152-L154 PolarHBondContact O-N 3.47Å; L152-A155 WeakPolarHBondContact O-CB 3.47Å; L152-A155 PolarHBondContact O-N 3.22Å; L152-A155 VanDerWaalsContact O-N 3.15Å; L152-C156 PolarHBondContact O-N 3.35Å; L152-C156 PolarHBondContact O-SG 3.42Å
153	A	98.4	Very high	97.7	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-64.6	-31.4	178.7	0	0	0	0	0	112.8	F98 A139 I141 G149 L150 A155 C156 R159	F98-A153 HydrophobicContact CE1-CB 4.34Å; A139-A153 HydrophobicContact CB-CB 3.97Å; I141-A153 HydrophobicContact CD1-CB 3.98Å; G149-A153 PolarHBondContact O-N 3.29Å; L150-A153 CarbonylContact O-C 3.41Å; L150-A153 PolarHBondContact O-N 3.13Å; L150-A153 VanDerWaalsContact O-N 3.11Å; A153-A155 VanDerWaalsContact C-N 3.34Å; A153-C156 WeakPolarHBondContact O-CB 3.4Å; A153-C156 PolarHBondContact O-N 3.19Å; A153-R159 HydrophobicContact CB-CG 4.34Å; A153-R159 VanDerWaalsContact O-CD 3.22Å; A153-R159 WeakPolarHBondContact O-CD 3.25Å; A153-R159 VanDerWaalsContact O-CG 3.27Å; A153-R159 WeakPolarHBondContact O-CG 3.46Å; A153-R159 PolarHBondContact O-NH1 2.66Å
154	L	97.9	Very high	97.6	Very high	7 Å²	7	13.4 Å²	13.4	4%	0.037	7%	0.071	C	C	.	.	H	α-helix	trans	-69	-32.5	174.7	-71.5	170.6	0	0	0	112.1	L150 E151 L152 C156 R187 L188 M191 L217	L150-L154 HydrophobicContact CD1-CG 4.31Å; L150-L154 HydrophobicContact CG-CD1 4.15Å; L150-L154 HydrophobicContact CG-CG 4.21Å; L150-L154 WeakPolarHBondContact O-CB 3.31Å; L150-L154 WeakPolarHBondContact O-CG 3.47Å; L150-L154 PolarHBondContact O-N 2.74Å; E151-L154 PolarHBondContact O-N 3.33Å; L152-L154 VanDerWaalsContact C-N 3.26Å; L152-L154 PolarHBondContact O-N 3.47Å; L154-C156 VanDerWaalsContact C-N 3.3Å; L154-R187 HydrophobicContact CB-CB 4.2Å; L154-R187 HydrophobicContact CD1-CB 4.41Å; L154-L188 HydrophobicContact CD1-CD1 4.37Å; L154-L188 HydrophobicContact CD1-CD2 3.68Å; L154-L188 HydrophobicContact CD1-CG 3.67Å; L154-L188 HydrophobicContact CD2-CD2 3.99Å; L154-L188 HydrophobicContact CG-CD2 4.49Å; L154-M191 HydrophobicContact CD2-CE 3.43Å; L154-M191 VanDerWaalsContact CD2-CE 3.43Å; L154-M191 HydrophobicContact CD2-SD 3.55Å; L154-M191 VanDerWaalsContact CD2-SD 3.55Å; L154-L217 HydrophobicContact CD2-CD1 3.7Å
155	A	97.9	Very high	97.2	Very high	2 Å²	2	18.1 Å²	18.1	2%	0.017	9%	0.087	C	C	.	.	H	α-helix	trans	-70.1	-26	173.9	0	0	0	0	0	112.8	F127 I130 E131 E151 L152 A153	F127-A155 HydrophobicContact CB-CB 3.82Å; F127-A155 HydrophobicContact CG-CB 4.3Å; F127-A155 WeakPolarHBondContact O-CB 3.34Å; I130-A155 HydrophobicContact CB-CB 4.29Å; I130-A155 HydrophobicContact CG2-CB 4.01Å; E131-A155 WeakPolarHBondContact CA-O 3.16Å; E131-A155 PolarHBondContact N-O 3.41Å; E151-A155 PolarHBondContact O-N 3.23Å; E151-A155 VanDerWaalsContact O-N 3.11Å; L152-A155 WeakPolarHBondContact O-CB 3.47Å; L152-A155 PolarHBondContact O-N 3.22Å; L152-A155 VanDerWaalsContact O-N 3.15Å; A153-A155 VanDerWaalsContact C-N 3.34Å
156	C	98.3	Very high	96.9	Very high	4 Å²	4	23.6 Å²	23.6	3%	0.027	11%	0.111	C	C	.	.	S	Bend	trans	-69.6	150.5	177	-60.9	0	0	0	0	112.3	I137 A139 L152 A153 L154 Y158 R159	I137-C156 HydrophobicContact CG2-CB 4.48Å; A139-C156 HydrophobicContact CB-CB 3.97Å; L152-C156 PolarHBondContact O-N 3.35Å; L152-C156 PolarHBondContact O-SG 3.42Å; A153-C156 WeakPolarHBondContact O-CB 3.4Å; A153-C156 PolarHBondContact O-N 3.19Å; L154-C156 VanDerWaalsContact C-N 3.3Å; C156-Y158 VanDerWaalsContact C-N 3.33Å; C156-Y158 PolarHBondContact O-N 2.93Å; C156-R159 PolarHBondContact O-NH1 3.06Å
157	Q	97.6	Very high	96.8	Very high	40 Å²	40	22.4 Å²	22.4	19%	0.187	11%	0.105	C	C	.	.	S	Bend	trans	-69.7	-30.7	-179.4	-71.4	69.7	31.4	0	0	112.3	I130 E131 I137 H219 T258	I130-Q157 PolarHBondContact O-NE2 3.34Å; E131-Q157 PolarHBondContact O-NE2 2.65Å; I137-Q157 PolarHBondContact O-N 2.93Å; I137-Q157 PolarHBondContact O-OE1 3.48Å; Q157-H219 PolarHBondContact O-CE1 3.34Å; Q157-T258 HydrophobicContact CB-CG2 4.27Å
158	Y	98.3	Very high	96.9	Very high	23 Å²	23	22.7 Å²	22.7	9%	0.09	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	154.2	178.5	-146	-103.9	0	0	0	112.3	I137 A139 C156 I160 H219 Q220 Y247 I251	I137-Y158 PolarHBondContact O-N 3.36Å; A139-Y158 PolarHBondContact N-O 2.93Å; C156-Y158 VanDerWaalsContact C-N 3.33Å; C156-Y158 PolarHBondContact O-N 2.93Å; Y158-I160 HydrophobicContact CD1-CD1 4.24Å; Y158-I160 HydrophobicContact CD1-CG1 3.78Å; Y158-I160 HydrophobicContact CE1-CD1 4.39Å; Y158-I160 HydrophobicContact CE1-CG1 4.02Å; Y158-H219 HydrophobicContact CD1-CB 3.84Å; Y158-H219 HydrophobicContact CD2-CB 3.89Å; Y158-H219 AromaticContact CD2-CD2 3.86Å; Y158-H219 AromaticContact CD2-CG 3.7Å; Y158-H219 AromaticContact CD2-ND1 3.93Å; Y158-H219 HydrophobicContact CE1-CB 3.46Å; Y158-H219 VanDerWaalsContact CE1-CB 3.46Å; Y158-H219 HydrophobicContact CE2-CB 3.55Å; Y158-H219 AromaticContact CE2-CD2 3.75Å; Y158-H219 AromaticContact CE2-CG 3.7Å; Y158-H219 HydrophobicContact CG-CB 4.04Å; Y158-Q220 HydrophobicContact CE1-CB 4.1Å; Y158-Y247 HydrophobicContact CD1-CD1 4.06Å; Y158-Y247 AromaticContact CE1-CD1 3.45Å; Y158-Y247 HydrophobicContact CE1-CD1 3.45Å; Y158-Y247 VanDerWaalsContact CE1-CD1 3.45Å; Y158-Y247 AromaticContact CE1-CE1 3.72Å; Y158-Y247 HydrophobicContact CE1-CE1 3.72Å; Y158-Y247 HydrophobicContact CE1-CG 4.44Å; Y158-Y247 AromaticContact CZ-CD1 3.91Å; Y158-Y247 AromaticContact CZ-CE1 3.94Å; Y158-I251 HydrophobicContact CD1-CD1 4.44Å; Y158-I251 HydrophobicContact CD2-CD1 3.93Å; Y158-I251 HydrophobicContact CG-CD1 3.77Å
159	R	98.4	Very high	97	Very high	10 Å²	10	22.5 Å²	22.5	4%	0.038	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	115.3	-175.2	-76.2	166.2	-70.1	-69.9	1.6	109.4	A139 I141 A153 C156 M191 L217 V218 H219 Q220	A139-R159 HydrophobicContact CB-CG 4.19Å; A139-R159 WeakPolarHBondContact O-CA 3.48Å; I141-R159 HydrophobicContact CD1-CB 4.35Å; I141-R159 HydrophobicContact CD1-CG 4.33Å; A153-R159 HydrophobicContact CB-CG 4.34Å; A153-R159 VanDerWaalsContact O-CD 3.22Å; A153-R159 WeakPolarHBondContact O-CD 3.25Å; A153-R159 VanDerWaalsContact O-CG 3.27Å; A153-R159 WeakPolarHBondContact O-CG 3.46Å; A153-R159 PolarHBondContact O-NH1 2.66Å; C156-R159 PolarHBondContact O-NH1 3.06Å; R159-M191 PolarHBondContact NH2-SD 3.38Å; R159-M191 VanDerWaalsContact NH2-SD 3.38Å; R159-L217 VanDerWaalsContact CD-O 3.24Å; R159-L217 WeakPolarHBondContact CD-O 3.27Å; R159-L217 PolarHBondContact NE-O 3.33Å; R159-V218 WeakPolarHBondContact O-CG1 3.44Å; R159-H219 PolarHBondContact N-ND1 3Å; R159-H219 PolarHBondContact NH2-CE1 3.33Å; R159-H219 WeakPolarHBondContact O-CA 3.48Å; R159-H219 WeakPolarHBondContact O-CB 3.22Å; R159-H219 PolarHBondContact O-N 3.24Å; R159-Q220 PolarHBondContact O-N 3.27Å
160	I	98.6	Very high	97	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	128.5	176.4	-51.9	-174.1	0	0	0	107.1	V138 A139 I141 Y158 Q220 V222 L240 I243 A244 Y247	V138-I160 HydrophobicContact CG1-CD1 3.94Å; V138-I160 HydrophobicContact CG1-CG1 3.98Å; A139-I160 PolarHBondContact O-N 3.42Å; I141-I160 WeakPolarHBondContact CB-O 3.38Å; I141-I160 PolarHBondContact N-O 2.91Å; Y158-I160 HydrophobicContact CD1-CD1 4.24Å; Y158-I160 HydrophobicContact CD1-CG1 3.78Å; Y158-I160 HydrophobicContact CE1-CD1 4.39Å; Y158-I160 HydrophobicContact CE1-CG1 4.02Å; I160-Q220 CarbonylContact C-O 3.57Å; I160-Q220 WeakPolarHBondContact CA-O 3.36Å; I160-Q220 HydrophobicContact CG1-CB 4.29Å; I160-Q220 HydrophobicContact CG2-CB 4.38Å; I160-V222 HydrophobicContact CG2-CG2 3.61Å; I160-L240 HydrophobicContact CB-CD1 4.41Å; I160-L240 HydrophobicContact CG2-CD1 3.8Å; I160-I243 HydrophobicContact CD1-CG2 4.27Å; I160-A244 HydrophobicContact CD1-CB 4.39Å; I160-Y247 HydrophobicContact CD1-CD1 4.18Å; I160-Y247 HydrophobicContact CD1-CD2 3.94Å; I160-Y247 HydrophobicContact CD1-CG 3.7Å
161	A	98.5	Very high	97	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	145.4	-178.7	0	0	0	0	0	112.8	I141 T167 V218 Q220 L221 V222	I141-A161 HydrophobicContact CB-CB 4Å; I141-A161 HydrophobicContact CG2-CB 4.41Å; I141-A161 VanDerWaalsContact O-CA 3.3Å; I141-A161 WeakPolarHBondContact O-CA 3.18Å; A161-T167 HydrophobicContact CB-CG2 4.32Å; A161-V218 HydrophobicContact CB-CG1 3.79Å; A161-V218 HydrophobicContact CB-CG2 4.08Å; A161-Q220 PolarHBondContact N-O 2.87Å; A161-L221 HydrophobicContact CB-CD2 4.06Å; A161-L221 VanDerWaalsContact O-CA 3.29Å; A161-L221 WeakPolarHBondContact O-CA 3.26Å; A161-L221 WeakPolarHBondContact O-CD2 3.41Å; A161-V222 PolarHBondContact O-N 2.64Å
162	T	97.9	Very high	96.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	137.5	174.8	59.4	0	0	0	0	111.4	I141 N142 S164 T167 P209 V222 T236 L240	I141-T162 PolarHBondContact O-N 2.9Å; N142-T162 HydrophobicContact CB-CG2 4.32Å; N142-T162 PolarHBondContact OD1-OG1 2.89Å; T162-S164 PolarHBondContact O-N 3.11Å; T162-T167 VanDerWaalsContact O-CB 3.25Å; T162-T167 WeakPolarHBondContact O-CB 3.38Å; T162-T167 WeakPolarHBondContact O-CG2 3.48Å; T162-T167 PolarHBondContact O-OG1 3.1Å; T162-T167 PolarHBondContact OG1-OG1 3.01Å; T162-P209 WeakPolarHBondContact O-CG 3.32Å; T162-V222 CarbonylContact C-O 3.52Å; T162-V222 VanDerWaalsContact CA-O 3.32Å; T162-V222 WeakPolarHBondContact CA-O 3.34Å; T162-T236 HydrophobicContact CG2-CG2 4.11Å; T162-L240 HydrophobicContact CG2-CB 4.38Å; T162-L240 HydrophobicContact CG2-CD1 4.11Å; T162-L240 HydrophobicContact CG2-CD2 3.77Å; T162-L240 HydrophobicContact CG2-CG 4.3Å
163	K	96.1	Very high	96.9	Very high	88 Å²	88	24.6 Å²	24.6	38%	0.383	12%	0.117	S	C	.	.			trans	-82.2	60.6	177.5	-171.1	166.7	160.3	165.6	0	111.5	D210 L221 V222 D223 P224	K163-D210 WeakPolarHBondContact CD-OD1 3.49Å; K163-D210 WeakPolarHBondContact CE-OD1 3.17Å; K163-D210 WeakPolarHBondContact CE-OD2 3.28Å; K163-D210 IonicContact NZ-OD1 3.41Å; K163-D210 PolarHBondContact NZ-OD1 2.79Å; K163-D210 IonicContact NZ-OD2 3.6Å; K163-L221 HydrophobicContact CD-CD1 4.44Å; K163-V222 PolarHBondContact N-O 3.11Å; K163-D223 WeakPolarHBondContact CD-OD1 3.47Å; K163-P224 WeakPolarHBondContact O-CD 3.31Å
164	S	93.2	Very high	96.9	Very high	33 Å²	33	25.1 Å²	25.1	23%	0.231	12%	0.12	C	C	.	.			trans	-111.7	150.4	179.4	175.8	0	0	0	0	112	T162 K166 T167	T162-S164 PolarHBondContact O-N 3.11Å; S164-K166 PolarHBondContact O-N 2.74Å; S164-K166 PolarHBondContact OG-N 2.79Å; S164-K166 VanDerWaalsContact OG-N 3.13Å; S164-T167 PolarHBondContact O-N 2.91Å; S164-T167 VanDerWaalsContact O-N 3.07Å
165	K	89.2	Confident	96.8	Very high	130 Å²	130	29.8 Å²	29.8	57%	0.565	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-18.6	169	-68	-176.7	-175.6	175.5	0	112.3	R208 E421	K165-R208 PolarHBondContact O-NH1 2.89Å; K165-E421 IonicContact NZ-OE1 3.87Å; K165-E421 PolarHBondContact NZ-OE1 2.79Å; K165-E421 IonicContact NZ-OE2 3.58Å
166	K	91.6	Very high	96.7	Very high	116 Å²	116	31.1 Å²	31.1	50%	0.504	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-23.1	173	-65.1	-176.9	-178.2	178.4	0	112.4	G143 S164 V168 E233	G143-K166 CarbonylContact C-O 3.52Å; S164-K166 PolarHBondContact O-N 2.74Å; S164-K166 PolarHBondContact OG-N 2.79Å; S164-K166 VanDerWaalsContact OG-N 3.13Å; K166-V168 PolarHBondContact O-N 2.83Å; K166-E233 IonicContact NZ-OE1 3.03Å; K166-E233 PolarHBondContact NZ-OE1 3.48Å
167	T	96.9	Very high	96.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.15	C	C	.	.			trans	-79.4	117.9	-179.2	-53.2	0	0	0	0	110.1	I141 G143 A161 T162 S164 P209	I141-T167 HydrophobicContact CG2-CG2 4.34Å; G143-T167 PolarHBondContact N-OG1 2.92Å; G143-T167 VanDerWaalsContact N-OG1 3.09Å; G143-T167 WeakPolarHBondContact O-CA 3.38Å; G143-T167 WeakPolarHBondContact O-CG2 3.32Å; A161-T167 HydrophobicContact CB-CG2 4.32Å; T162-T167 VanDerWaalsContact O-CB 3.25Å; T162-T167 WeakPolarHBondContact O-CB 3.38Å; T162-T167 WeakPolarHBondContact O-CG2 3.48Å; T162-T167 PolarHBondContact O-OG1 3.1Å; T162-T167 PolarHBondContact OG1-OG1 3.01Å; S164-T167 PolarHBondContact O-N 2.91Å; S164-T167 VanDerWaalsContact O-N 3.07Å; T167-P209 HydrophobicContact CG2-CG 3.91Å; T167-P209 VanDerWaalsContact O-CD 3.31Å; T167-P209 WeakPolarHBondContact O-CD 3.3Å; T167-P209 WeakPolarHBondContact O-CG 3.44Å
168	V	97.5	Very high	96.7	Very high	10 Å²	10	29.4 Å²	29.4	6%	0.061	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	139.2	-179.2	-70	0	0	0	0	109.9	G143 C145 L146 K166 N206	G143-V168 PolarHBondContact O-N 3Å; C145-V168 PolarHBondContact N-O 3.38Å; L146-V168 HydrophobicContact CD2-CG2 4.14Å; K166-V168 PolarHBondContact O-N 2.83Å; V168-N206 HydrophobicContact CB-CB 4.07Å; V168-N206 HydrophobicContact CG1-CB 4.16Å
169	L	98.5	Very high	96.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	137.2	177.4	-55.2	94.3	0	0	0	109.9	I141 C145 L150 I207 A212 L217 V218	I141-L169 HydrophobicContact CD1-CD2 3.92Å; C145-L169 HydrophobicContact CB-CG 4.28Å; C145-L169 VanDerWaalsContact O-CA 3.28Å; C145-L169 WeakPolarHBondContact O-CA 3.24Å; L150-L169 HydrophobicContact CD1-CB 4.25Å; L150-L169 HydrophobicContact CD1-CD2 3.85Å; L150-L169 HydrophobicContact CD2-CB 4.41Å; L169-I207 PolarHBondContact N-O 3.34Å; L169-I207 WeakPolarHBondContact O-CA 3.32Å; L169-I207 WeakPolarHBondContact O-CB 3.4Å; L169-I207 PolarHBondContact O-N 2.87Å; L169-A212 HydrophobicContact CD1-CB 3.86Å; L169-L217 HydrophobicContact CB-CD2 3.9Å; L169-L217 HydrophobicContact CD2-CD2 4.31Å; L169-L217 HydrophobicContact CD2-CG 4.45Å; L169-V218 HydrophobicContact CD1-CG2 4.17Å; L169-V218 HydrophobicContact CD2-CG2 3.59Å
170	G	97.7	Very high	96.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.1	170.3	177.1	0	0	0	0	0	114	C145 L146 G147 P172	C145-G170 PolarHBondContact O-N 3.18Å; L146-G170 CarbonylContact C-O 3.48Å; L146-G170 WeakPolarHBondContact CA-O 3.3Å; G147-G170 PolarHBondContact N-O 3.48Å; G170-P172 WeakPolarHBondContact O-CD 3.23Å
171	T	97.3	Very high	96.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.14	C	C	.	.			trans	-117.9	78.9	178.1	43	0	0	0	0	109.6	L150 E173 P180 L188 M200 M201 G204	L150-T171 HydrophobicContact CD2-CG2 4.29Å; T171-E173 WeakPolarHBondContact CA-OE2 3.49Å; T171-E173 WeakPolarHBondContact CB-OE2 3.15Å; T171-E173 PolarHBondContact O-N 3.24Å; T171-P180 HydrophobicContact CG2-CG 3.99Å; T171-L188 HydrophobicContact CG2-CD1 3.68Å; T171-M200 HydrophobicContact CG2-CE 3.81Å; T171-M200 PolarHBondContact OG1-O 2.9Å; T171-M201 WeakPolarHBondContact OG1-CA 3.5Å; T171-G204 VanDerWaalsContact O-CA 3.24Å; T171-G204 WeakPolarHBondContact O-CA 3.38Å
172	P	97.1	Very high	96.5	Very high	36 Å²	36	28.7 Å²	28.7	23%	0.234	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-79.1	7.2	-174.3	35.3	-36.7	0	0	0	114.4	L146 G170 V174 M175	L146-P172 HydrophobicContact CB-CG 4.24Å; G170-P172 WeakPolarHBondContact O-CD 3.23Å; P172-V174 PolarHBondContact O-N 2.95Å; P172-M175 VanDerWaalsContact O-CB 3.24Å; P172-M175 WeakPolarHBondContact O-CB 3.26Å; P172-M175 PolarHBondContact O-N 3.27Å
173	E	97.8	Very high	96.4	Very high	18 Å²	18	28.7 Å²	28.7	8%	0.084	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-56.2	-37.1	-174.3	-62.5	86.5	171.3	0	0	112.5	G147 T171 M175 L176 G177 L178 L179	G147-E173 WeakPolarHBondContact CA-OE1 3.47Å; T171-E173 WeakPolarHBondContact CA-OE2 3.49Å; T171-E173 WeakPolarHBondContact CB-OE2 3.15Å; T171-E173 PolarHBondContact O-N 3.24Å; E173-M175 PolarHBondContact O-N 2.94Å; E173-L176 WeakPolarHBondContact O-CA 3.49Å; E173-L176 WeakPolarHBondContact O-CB 3.3Å; E173-L176 PolarHBondContact O-N 3Å; E173-G177 PolarHBondContact O-N 3.35Å; E173-L178 CarbonylContact C-O 3.6Å; E173-L178 HydrophobicContact CB-CB 4.09Å; E173-L178 CarbonylContact O-C 3.59Å; E173-L178 WeakPolarHBondContact O-CA 3.36Å; E173-L178 WeakPolarHBondContact O-CB 3.15Å; E173-L178 PolarHBondContact O-N 3.39Å; E173-L179 VanDerWaalsContact CB-C 3.45Å
174	V	97.8	Very high	96.5	Very high	11 Å²	11	24.5 Å²	24.5	7%	0.067	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-60	-27.5	176.9	67.3	0	0	0	0	113	P172 L176 G177 L178 M201 P301 I304	P172-V174 PolarHBondContact O-N 2.95Å; V174-L176 PolarHBondContact O-N 2.96Å; V174-G177 PolarHBondContact O-N 3.15Å; V174-G177 VanDerWaalsContact O-N 3.17Å; V174-L178 VanDerWaalsContact CA-O 3.22Å; V174-L178 WeakPolarHBondContact CA-O 3.32Å; V174-L178 PolarHBondContact N-O 3.17Å; V174-M201 WeakPolarHBondContact CB-O 3.48Å; V174-M201 WeakPolarHBondContact CG1-O 3.33Å; V174-P301 HydrophobicContact CG2-CG 3.78Å; V174-I304 HydrophobicContact CB-CD1 3.98Å; V174-I304 HydrophobicContact CG2-CD1 4.03Å
175	M	95.9	Very high	96.7	Very high	105 Å²	105	22.9 Å²	22.9	52%	0.517	12%	0.115	S	C	.	.	G	3₁₀ helix	trans	-71.7	-16.7	176.1	-56.6	-73.2	100.2	0	0	112.3	P172 E173 T203	P172-M175 VanDerWaalsContact O-CB 3.24Å; P172-M175 WeakPolarHBondContact O-CB 3.26Å; P172-M175 PolarHBondContact O-N 3.27Å; E173-M175 PolarHBondContact O-N 2.94Å; M175-T203 WeakPolarHBondContact CE-O 3.27Å
176	L	96.8	Very high	97.2	Very high	29 Å²	29	17.6 Å²	17.6	15%	0.152	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-100.9	8.9	174.4	-57.1	178	0	0	0	112.1	I104 E173 V174 L178 S336 I340 Y343	I104-L176 HydrophobicContact CD1-CD1 3.86Å; I104-L176 HydrophobicContact CD1-CD2 4.45Å; I104-L176 HydrophobicContact CG1-CD1 4.25Å; E173-L176 WeakPolarHBondContact O-CA 3.49Å; E173-L176 WeakPolarHBondContact O-CB 3.3Å; E173-L176 PolarHBondContact O-N 3Å; V174-L176 PolarHBondContact O-N 2.96Å; L176-L178 HydrophobicContact CB-CD1 4.26Å; L176-L178 HydrophobicContact CB-CG 4.33Å; L176-L178 PolarHBondContact O-N 3.34Å; L176-S336 WeakPolarHBondContact O-CA 3.47Å; L176-S336 PolarHBondContact O-OG 3.11Å; L176-I340 HydrophobicContact CB-CG1 4.11Å; L176-I340 HydrophobicContact CD2-CG1 4.35Å; L176-Y343 HydrophobicContact CD2-CD1 4.4Å; L176-Y343 HydrophobicContact CD2-CD2 4.12Å; L176-Y343 HydrophobicContact CD2-CG 3.81Å
177	G	97.3	Very high	97.5	Very high	4 Å²	4	12.5 Å²	12.5	4%	0.041	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	21.5	-173.2	0	0	0	0	0	113.3	E173 V174 A300	E173-G177 PolarHBondContact O-N 3.35Å; V174-G177 PolarHBondContact O-N 3.15Å; V174-G177 VanDerWaalsContact O-N 3.17Å; G177-A300 VanDerWaalsContact C-CB 3.44Å; G177-A300 WeakPolarHBondContact O-CB 3.49Å
178	L	97.8	Very high	97.5	Very high	4 Å²	4	12.5 Å²	12.5	2%	0.021	7%	0.07	C	C	.	.			trans	-114.2	-174.9	179.6	-63.2	175.5	0	0	0	111	I107 E173 V174 L176 A300 F327 L330 A331	I107-L178 HydrophobicContact CD1-CD1 3.99Å; E173-L178 CarbonylContact C-O 3.6Å; E173-L178 HydrophobicContact CB-CB 4.09Å; E173-L178 CarbonylContact O-C 3.59Å; E173-L178 WeakPolarHBondContact O-CA 3.36Å; E173-L178 WeakPolarHBondContact O-CB 3.15Å; E173-L178 PolarHBondContact O-N 3.39Å; V174-L178 VanDerWaalsContact CA-O 3.22Å; V174-L178 WeakPolarHBondContact CA-O 3.32Å; V174-L178 PolarHBondContact N-O 3.17Å; L176-L178 HydrophobicContact CB-CD1 4.26Å; L176-L178 HydrophobicContact CB-CG 4.33Å; L176-L178 PolarHBondContact O-N 3.34Å; L178-A300 WeakPolarHBondContact O-CB 3.32Å; L178-F327 HydrophobicContact CB-CE2 4.27Å; L178-F327 HydrophobicContact CD1-CE2 4.24Å; L178-F327 HydrophobicContact CD1-CZ 4.47Å; L178-F327 HydrophobicContact CD2-CE2 4.49Å; L178-L330 HydrophobicContact CD2-CB 4.14Å; L178-A331 HydrophobicContact CD2-CB 3.82Å
179	L	98.1	Very high	97.3	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.071	C	C	.	.			trans	-131.7	164.6	170.8	57.4	77.1	0	0	0	109.9	E173 G181 T185 K303 I304 E323 N326 F327 L330	E173-L179 VanDerWaalsContact CB-C 3.45Å; L179-G181 PolarHBondContact O-N 3.3Å; L179-T185 HydrophobicContact CD1-CG2 4.38Å; L179-K303 HydrophobicContact CD2-CB 4.1Å; L179-I304 HydrophobicContact CB-CD1 4.11Å; L179-I304 HydrophobicContact CB-CG1 3.47Å; L179-I304 VanDerWaalsContact CB-CG1 3.47Å; L179-I304 HydrophobicContact CD2-CG1 4.45Å; L179-E323 HydrophobicContact CD1-CG 3.83Å; L179-N326 HydrophobicContact CD2-CB 3.94Å; L179-F327 HydrophobicContact CD1-CB 3.87Å; L179-F327 HydrophobicContact CD1-CD2 4.08Å; L179-F327 HydrophobicContact CD1-CG 4.49Å; L179-F327 WeakPolarHBondContact O-CD2 3.21Å; L179-F327 VanDerWaalsContact O-CE2 3.32Å; L179-F327 WeakPolarHBondContact O-CE2 3.49Å; L179-L330 HydrophobicContact CB-CD1 4.26Å; L179-L330 HydrophobicContact CD2-CD1 3.54Å; L179-L330 HydrophobicContact CG-CD1 3.74Å
180	P	98.3	Very high	97.1	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.105	C	C	.	.			trans	-56.1	124.4	172.1	-24.1	34.5	0	0	0	110.7	E151 T171 T185 M201 E323	E151-P180 VanDerWaalsContact OE1-CB 3.27Å; E151-P180 WeakPolarHBondContact OE1-CB 3.38Å; T171-P180 HydrophobicContact CG2-CG 3.99Å; P180-T185 HydrophobicContact CB-CG2 4.27Å; P180-T185 HydrophobicContact CG-CG2 4.33Å; P180-M201 HydrophobicContact CG-CG 3.97Å; P180-M201 HydrophobicContact CG-SD 3.93Å; P180-E323 WeakPolarHBondContact O-CG 3.35Å
181	G	96.7	Very high	96.8	Very high	7 Å²	7	23.2 Å²	23.2	7%	0.072	12%	0.118	C	C	.	.			trans	-110.4	4.5	-165.8	0	0	0	0	0	114.8	S120 E151 L179	S120-G181 WeakPolarHBondContact CA-O 3.49Å; S120-G181 WeakPolarHBondContact CB-O 3.3Å; S120-G181 PolarHBondContact OG-O 3.28Å; E151-G181 PolarHBondContact OE1-N 3.43Å; E151-G181 PolarHBondContact OE2-N 3.28Å; L179-G181 PolarHBondContact O-N 3.3Å
182	A	96.5	Very high	96.5	Very high	11 Å²	11	24.2 Å²	24.2	9%	0.091	12%	0.123	C	C	.	.	S	Bend	trans	-133.6	36.3	-176	0	0	0	0	0	112.2	F127 E151 R187 E323	F127-A182 HydrophobicContact CD2-CB 3.64Å; F127-A182 WeakPolarHBondContact CD2-O 3.23Å; F127-A182 HydrophobicContact CE2-CB 3.49Å; F127-A182 VanDerWaalsContact CE2-CB 3.49Å; F127-A182 HydrophobicContact CZ-CB 4.44Å; E151-A182 HydrophobicContact CB-CB 4.21Å; E151-A182 VanDerWaalsContact OE1-C 3.3Å; E151-A182 WeakPolarHBondContact OE1-CA 3.36Å; E151-A182 PolarHBondContact OE1-N 3.07Å; E151-A182 PolarHBondContact OE2-N 3.29Å; A182-R187 PolarHBondContact O-NH1 3.45Å; A182-E323 PolarHBondContact N-OE1 2.78Å
183	G	96.8	Very high	96.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	99.8	3.1	175.3	0	0	0	0	0	115.1	E151 T185 Q186 R187 E323	E151-G183 PolarHBondContact OE1-N 3.24Å; G183-T185 VanDerWaalsContact C-N 3.26Å; G183-T185 PolarHBondContact O-N 3.35Å; G183-Q186 PolarHBondContact O-N 3.01Å; G183-R187 WeakPolarHBondContact O-CG 3.29Å; G183-R187 PolarHBondContact O-N 3Å; G183-E323 VanDerWaalsContact CA-OE1 3.28Å; G183-E323 WeakPolarHBondContact CA-OE1 3.34Å; G183-E323 WeakPolarHBondContact CA-OE2 3.01Å; G183-E323 VanDerWaalsContact N-CD 3.33Å; G183-E323 PolarHBondContact N-OE1 3.33Å; G183-E323 PolarHBondContact N-OE2 3.13Å
184	G	97.6	Very high	96	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-58.1	-37.5	177.6	0	0	0	0	0	112.5	E151 Q186 L188 E323	E151-G184 WeakPolarHBondContact OE1-CA 3.49Å; E151-G184 PolarHBondContact OE1-N 3.37Å; G184-Q186 PolarHBondContact O-N 3.37Å; G184-L188 VanDerWaalsContact O-CB 3.31Å; G184-L188 WeakPolarHBondContact O-CB 3.33Å; G184-L188 WeakPolarHBondContact O-CG 3.44Å; G184-L188 PolarHBondContact O-N 3.44Å; G184-E323 PolarHBondContact N-OE2 2.93Å; G184-E323 VanDerWaalsContact N-OE2 3.16Å
185	T	98.4	Very high	95.8	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-70.8	-11.3	178.5	74.9	0	0	0	0	112.8	L179 P180 G183 P189 M201 C307 E323	L179-T185 HydrophobicContact CD1-CG2 4.38Å; P180-T185 HydrophobicContact CB-CG2 4.27Å; P180-T185 HydrophobicContact CG-CG2 4.33Å; G183-T185 VanDerWaalsContact C-N 3.26Å; G183-T185 PolarHBondContact O-N 3.35Å; T185-P189 WeakPolarHBondContact O-CD 3.28Å; T185-P189 VanDerWaalsContact O-CG 3.25Å; T185-P189 WeakPolarHBondContact O-CG 3.39Å; T185-M201 HydrophobicContact CG2-SD 4.09Å; T185-C307 HydrophobicContact CG2-CB 4.17Å; T185-E323 WeakPolarHBondContact CB-OE2 3.24Å; T185-E323 HydrophobicContact CG2-CG 3.98Å; T185-E323 PolarHBondContact N-OE2 3.12Å; T185-E323 WeakPolarHBondContact OG1-CG 3.42Å; T185-E323 PolarHBondContact OG1-OE2 3.35Å
186	Q	98.4	Very high	95.7	Very high	19 Å²	19	23.1 Å²	23.1	9%	0.089	13%	0.13	C	C	.	.	H	α-helix	trans	-106.9	-47.5	-179.3	-50.5	-50.1	-37.4	0	0	111.8	G183 G184 K190 C307 G311 G319 Y320	G183-Q186 PolarHBondContact O-N 3.01Å; G184-Q186 PolarHBondContact O-N 3.37Å; Q186-K190 PolarHBondContact O-N 2.64Å; Q186-C307 PolarHBondContact NE2-O 3.46Å; Q186-C307 VanDerWaalsContact NE2-O 3.12Å; Q186-G311 VanDerWaalsContact OE1-CA 3.25Å; Q186-G319 PolarHBondContact NE2-O 3.26Å; Q186-Y320 HydrophobicContact CB-CD2 4.4Å; Q186-Y320 HydrophobicContact CB-CE1 4.2Å; Q186-Y320 HydrophobicContact CB-CE2 3.86Å; Q186-Y320 HydrophobicContact CG-CD1 4.04Å; Q186-Y320 HydrophobicContact CG-CD2 3.97Å; Q186-Y320 HydrophobicContact CG-CE1 4.08Å; Q186-Y320 HydrophobicContact CG-CE2 3.95Å; Q186-Y320 HydrophobicContact CG-CG 3.99Å
187	R	97.6	Very high	95.7	Very high	9 Å²	9	21.8 Å²	21.8	3%	0.034	12%	0.123	C	C	.	.	H	α-helix	trans	-72.4	-37.4	-177	-64.5	-172.3	-175.2	96.6	7.1	112.7	E131 L154 A182 G183 K190 M191 Y320	E131-R187 IonicContact OE2-CZ 3.68Å; E131-R187 IonicContact OE2-NE 2.56Å; E131-R187 PolarHBondContact OE2-NE 3.29Å; E131-R187 IonicContact OE2-NH2 2.88Å; E131-R187 PolarHBondContact OE2-NH2 3.11Å; L154-R187 HydrophobicContact CB-CB 4.2Å; L154-R187 HydrophobicContact CD1-CB 4.41Å; A182-R187 PolarHBondContact O-NH1 3.45Å; G183-R187 WeakPolarHBondContact O-CG 3.29Å; G183-R187 PolarHBondContact O-N 3Å; R187-K190 PolarHBondContact O-N 3.07Å; R187-M191 VanDerWaalsContact O-CB 3.23Å; R187-M191 WeakPolarHBondContact O-CB 3.5Å; R187-M191 PolarHBondContact O-N 2.98Å; R187-Y320 PolarHBondContact NH2-OH 3.22Å
188	L	97	Very high	95.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-66.7	-48.7	-179.2	-72.6	167.4	0	0	0	113	L154 T171 G184 K190 M191 L192 A197 M200 M201 L217	L154-L188 HydrophobicContact CD1-CD1 4.37Å; L154-L188 HydrophobicContact CD1-CD2 3.68Å; L154-L188 HydrophobicContact CD1-CG 3.67Å; L154-L188 HydrophobicContact CD2-CD2 3.99Å; L154-L188 HydrophobicContact CG-CD2 4.49Å; T171-L188 HydrophobicContact CG2-CD1 3.68Å; G184-L188 VanDerWaalsContact O-CB 3.31Å; G184-L188 WeakPolarHBondContact O-CB 3.33Å; G184-L188 WeakPolarHBondContact O-CG 3.44Å; G184-L188 PolarHBondContact O-N 3.44Å; L188-K190 VanDerWaalsContact C-N 3.29Å; L188-K190 PolarHBondContact O-N 2.58Å; L188-M191 PolarHBondContact O-N 2.58Å; L188-L192 HydrophobicContact CD2-CD1 3.71Å; L188-L192 HydrophobicContact CD2-CG 4.49Å; L188-L192 WeakPolarHBondContact O-CB 3.1Å; L188-L192 PolarHBondContact O-N 3.05Å; L188-A197 HydrophobicContact CB-CB 3.95Å; L188-M200 HydrophobicContact CD1-CE 3.48Å; L188-M200 VanDerWaalsContact CD1-CE 3.48Å; L188-M200 HydrophobicContact CD2-CE 3.5Å; L188-M200 HydrophobicContact CD2-SD 4.47Å; L188-M200 HydrophobicContact CG-CE 4.15Å; L188-M201 HydrophobicContact CD1-CG 3.79Å; L188-M201 HydrophobicContact CD1-SD 3.96Å; L188-L217 HydrophobicContact CD2-CD1 3.96Å
189	P	95.1	Very high	95.6	Very high	13 Å²	13	24 Å²	24	8%	0.084	13%	0.133	C	C	.	.	H	α-helix	trans	-56.3	-42.8	174.4	-30.5	39.1	0	0	0	113.2	T185 M191 G193 L194 A197 M201 V308 V312	T185-P189 WeakPolarHBondContact O-CD 3.28Å; T185-P189 VanDerWaalsContact O-CG 3.25Å; T185-P189 WeakPolarHBondContact O-CG 3.39Å; P189-M191 VanDerWaalsContact C-N 3.32Å; P189-M191 PolarHBondContact O-N 3.25Å; P189-G193 WeakPolarHBondContact O-CA 3.41Å; P189-G193 PolarHBondContact O-N 2.79Å; P189-L194 HydrophobicContact CB-CD2 4.1Å; P189-A197 HydrophobicContact CB-CB 4.33Å; P189-A197 HydrophobicContact CG-CB 3.91Å; P189-M201 HydrophobicContact CG-CE 4.27Å; P189-V308 HydrophobicContact CB-CG1 4.35Å; P189-V308 HydrophobicContact CG-CG1 3.78Å; P189-V308 HydrophobicContact CG-CG2 4.09Å; P189-V312 HydrophobicContact CB-CG2 4.48Å
190	K	92.5	Very high	95.6	Very high	167 Å²	167	24 Å²	24	73%	0.726	13%	0.133	S	C	*	.	H	α-helix	trans	-64.5	-36.2	178.5	-172.7	178.2	177.9	-174.9	0	112.5	Q186 R187 L188	Q186-K190 PolarHBondContact O-N 2.64Å; R187-K190 PolarHBondContact O-N 3.07Å; L188-K190 VanDerWaalsContact C-N 3.29Å; L188-K190 PolarHBondContact O-N 2.58Å
191	M	91.4	Very high	95.6	Very high	55 Å²	55	24 Å²	24	27%	0.271	13%	0.133	S	C	.	.	H	α-helix	trans	-84.1	-40.5	-176.2	-171.6	175.6	-56.7	0	0	113.6	L154 R159 R187 L188 P189 L217	L154-M191 HydrophobicContact CD2-CE 3.43Å; L154-M191 VanDerWaalsContact CD2-CE 3.43Å; L154-M191 HydrophobicContact CD2-SD 3.55Å; L154-M191 VanDerWaalsContact CD2-SD 3.55Å; R159-M191 PolarHBondContact NH2-SD 3.38Å; R159-M191 VanDerWaalsContact NH2-SD 3.38Å; R187-M191 VanDerWaalsContact O-CB 3.23Å; R187-M191 WeakPolarHBondContact O-CB 3.5Å; R187-M191 PolarHBondContact O-N 2.98Å; L188-M191 PolarHBondContact O-N 2.58Å; P189-M191 VanDerWaalsContact C-N 3.32Å; P189-M191 PolarHBondContact O-N 3.25Å; M191-L217 HydrophobicContact SD-CD1 4.37Å
192	L	91.7	Very high	95.6	Very high	21 Å²	21	25 Å²	25	11%	0.11	14%	0.137	C	C	.	.	H	α-helix	trans	-114.4	-8.4	-168.1	-54.1	176.4	0	0	0	113.9	L188 M215 L217	L188-L192 HydrophobicContact CD2-CD1 3.71Å; L188-L192 HydrophobicContact CD2-CG 4.49Å; L188-L192 WeakPolarHBondContact O-CB 3.1Å; L188-L192 PolarHBondContact O-N 3.05Å; L192-M215 HydrophobicContact CD1-CE 3.75Å; L192-M215 HydrophobicContact CD2-CE 4.24Å; L192-M215 HydrophobicContact CD2-CG 4.32Å; L192-M215 VanDerWaalsContact CD2-O 3.27Å; L192-M215 WeakPolarHBondContact CD2-O 3.32Å; L192-M215 HydrophobicContact CG-CE 4.47Å; L192-L217 HydrophobicContact CD1-CD1 4.3Å; L192-L217 HydrophobicContact CD2-CB 4.02Å
193	G	91.9	Very high	95.6	Very high	19 Å²	19	27.4 Å²	27.4	20%	0.196	15%	0.151	C	C	.	.			trans	76.4	159	-166.5	0	0	0	0	0	112.9	P189 A197	P189-G193 WeakPolarHBondContact O-CA 3.41Å; P189-G193 PolarHBondContact O-N 2.79Å; G193-A197 WeakPolarHBondContact O-CB 3.48Å; G193-A197 PolarHBondContact O-N 3.38Å; G193-A197 VanDerWaalsContact O-N 3.09Å
194	L	93.3	Very high	95.6	Very high	9 Å²	9	27.8 Å²	27.8	5%	0.047	16%	0.155	C	C	.	.	H	α-helix	trans	-54	-45.6	-175.3	-64.5	172.4	0	0	0	114.7	P189 S196 A197 F198 M273 R279 Y283 V308 V312	P189-L194 HydrophobicContact CB-CD2 4.1Å; L194-S196 PolarHBondContact O-N 3.48Å; L194-A197 PolarHBondContact O-N 3.34Å; L194-F198 HydrophobicContact CB-CD2 4.13Å; L194-F198 HydrophobicContact CB-CE2 4.04Å; L194-F198 HydrophobicContact CD2-CE2 4.02Å; L194-F198 HydrophobicContact CD2-CZ 4.35Å; L194-F198 WeakPolarHBondContact O-CB 2.9Å; L194-F198 VanDerWaalsContact O-CD2 3.22Å; L194-F198 WeakPolarHBondContact O-CD2 3.19Å; L194-F198 WeakPolarHBondContact O-CG 3.37Å; L194-F198 PolarHBondContact O-N 2.98Å; L194-M273 HydrophobicContact CB-CE 3.59Å; L194-M273 HydrophobicContact CD1-CE 3.76Å; L194-M273 HydrophobicContact CG-CE 3.87Å; L194-R279 HydrophobicContact CD1-CB 4.4Å; L194-R279 HydrophobicContact CD1-CG 4.09Å; L194-Y283 HydrophobicContact CD1-CE1 3.78Å; L194-Y283 HydrophobicContact CD2-CE1 4.14Å; L194-V308 HydrophobicContact CD2-CG1 3.47Å; L194-V308 VanDerWaalsContact CD2-CG1 3.47Å; L194-V312 HydrophobicContact CD2-CG2 4.19Å
195	P	92.8	Very high	95.5	Very high	74 Å²	74	32.6 Å²	32.6	48%	0.481	17%	0.173	S	C	.	.	H	α-helix	trans	-66	-43.1	-172.2	-21.9	34.8	0	0	0	112.5	D199 M273	P195-D199 VanDerWaalsContact O-CB 3.31Å; P195-D199 WeakPolarHBondContact O-CB 3.45Å; P195-D199 PolarHBondContact O-N 2.79Å; P195-M273 HydrophobicContact CG-CE 4.17Å
196	S	94.3	Very high	95.4	Very high	45 Å²	45	36.8 Å²	36.8	32%	0.315	20%	0.196	S	C	.	.	H	α-helix	trans	-69.6	-40.2	178	-62.6	0	0	0	0	111.4	L194 M200	L194-S196 PolarHBondContact O-N 3.48Å; S196-M200 WeakPolarHBondContact O-CB 3.24Å; S196-M200 PolarHBondContact O-N 3.39Å
197	A	96.2	Very high	95.3	Very high	1 Å²	1	36 Å²	36	1%	0.008	19%	0.192	C	C	.	.	H	α-helix	trans	-64.1	-48.1	177.3	0	0	0	0	0	111.5	L188 P189 G193 L194 M200 M201	L188-A197 HydrophobicContact CB-CB 3.95Å; P189-A197 HydrophobicContact CB-CB 4.33Å; P189-A197 HydrophobicContact CG-CB 3.91Å; G193-A197 WeakPolarHBondContact O-CB 3.48Å; G193-A197 PolarHBondContact O-N 3.38Å; G193-A197 VanDerWaalsContact O-N 3.09Å; L194-A197 PolarHBondContact O-N 3.34Å; A197-M200 PolarHBondContact O-N 2.87Å; A197-M201 HydrophobicContact CB-CE 4.03Å; A197-M201 WeakPolarHBondContact O-CG 3.39Å; A197-M201 PolarHBondContact O-N 2.78Å
198	F	97.6	Very high	95.2	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.018	21%	0.214	C	C	.	.	H	α-helix	trans	-61.5	-45.2	175.5	-78.9	-46.5	0	0	0	112.3	L194 M200 M201 L202 I282 Y283 V286 I305 V308	L194-F198 HydrophobicContact CB-CD2 4.13Å; L194-F198 HydrophobicContact CB-CE2 4.04Å; L194-F198 HydrophobicContact CD2-CE2 4.02Å; L194-F198 HydrophobicContact CD2-CZ 4.35Å; L194-F198 WeakPolarHBondContact O-CB 2.9Å; L194-F198 VanDerWaalsContact O-CD2 3.22Å; L194-F198 WeakPolarHBondContact O-CD2 3.19Å; L194-F198 WeakPolarHBondContact O-CG 3.37Å; L194-F198 PolarHBondContact O-N 2.98Å; F198-M200 PolarHBondContact O-N 3.44Å; F198-M201 PolarHBondContact O-N 3.41Å; F198-L202 HydrophobicContact CB-CD1 3.92Å; F198-L202 HydrophobicContact CD1-CD1 4.07Å; F198-L202 HydrophobicContact CD1-CG 4.47Å; F198-L202 HydrophobicContact CG-CD1 4.29Å; F198-L202 WeakPolarHBondContact O-CB 3.37Å; F198-L202 WeakPolarHBondContact O-CG 3.36Å; F198-L202 PolarHBondContact O-N 3.41Å; F198-I282 HydrophobicContact CD2-CG2 4.47Å; F198-I282 HydrophobicContact CE2-CG2 4.38Å; F198-Y283 AromaticContact CE2-CD1 3.85Å; F198-Y283 HydrophobicContact CE2-CD1 3.85Å; F198-Y283 AromaticContact CE2-CE1 3.98Å; F198-Y283 HydrophobicContact CE2-CE1 3.98Å; F198-Y283 AromaticContact CZ-CD1 3.84Å; F198-Y283 HydrophobicContact CZ-CD1 3.84Å; F198-Y283 AromaticContact CZ-CE1 3.93Å; F198-Y283 HydrophobicContact CZ-CE1 3.93Å; F198-V286 HydrophobicContact CB-CG1 4.46Å; F198-V286 HydrophobicContact CD1-CG1 4.47Å; F198-V286 HydrophobicContact CD2-CG1 4.41Å; F198-V286 HydrophobicContact CD2-CG2 4.03Å; F198-V286 HydrophobicContact CG-CG1 4.22Å; F198-V286 HydrophobicContact CG-CG2 4.48Å; F198-I305 HydrophobicContact CE1-CB 4.45Å; F198-I305 HydrophobicContact CE1-CG1 4.21Å; F198-I305 HydrophobicContact CZ-CG2 4.5Å; F198-V308 HydrophobicContact CD1-CG2 4.46Å; F198-V308 HydrophobicContact CE1-CB 3.68Å; F198-V308 HydrophobicContact CE1-CG1 3.77Å; F198-V308 HydrophobicContact CE1-CG2 3.77Å; F198-V308 HydrophobicContact CE2-CG1 4.34Å; F198-V308 HydrophobicContact CZ-CB 3.84Å; F198-V308 HydrophobicContact CZ-CG1 3.52Å; F198-V308 HydrophobicContact CZ-CG2 4.39Å
199	D	95.7	Very high	95.1	Very high	49 Å²	49	42 Å²	42	26%	0.262	22%	0.215	S	C	.	.	H	α-helix	trans	-56.9	-40.9	175.8	163.2	102.7	0	0	0	111.5	P195 T203 R205	P195-D199 VanDerWaalsContact O-CB 3.31Å; P195-D199 WeakPolarHBondContact O-CB 3.45Å; P195-D199 PolarHBondContact O-N 2.79Å; D199-T203 WeakPolarHBondContact O-CB 3.36Å; D199-T203 VanDerWaalsContact O-CG2 3.27Å; D199-T203 WeakPolarHBondContact O-CG2 3.41Å; D199-T203 PolarHBondContact O-N 2.96Å; D199-T203 PolarHBondContact O-OG1 2.94Å; D199-R205 IonicContact OD1-CZ 3.58Å; D199-R205 IonicContact OD1-NE 3.13Å; D199-R205 IonicContact OD1-NH1 3.35Å; D199-R205 PolarHBondContact OD1-NH1 3.01Å; D199-R205 VanDerWaalsContact OD1-NH1 3.13Å; D199-R205 IonicContact OD1-NH2 2.64Å; D199-R205 PolarHBondContact OD1-NH2 3.11Å; D199-R205 IonicContact OD2-CZ 2.75Å; D199-R205 IonicContact OD2-NE 3.07Å; D199-R205 PolarHBondContact OD2-NE 3.49Å; D199-R205 IonicContact OD2-NH1 2.82Å; D199-R205 IonicContact OD2-NH2 2.76Å; D199-R205 PolarHBondContact OD2-NH2 3.4Å
200	M	97.6	Very high	95.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-71.2	-47.7	-179.9	-144.5	177.5	81.6	0	0	112.4	L150 T171 L188 S196 A197 F198 G204 I207 L217	L150-M200 HydrophobicContact CD2-CE 3.49Å; L150-M200 VanDerWaalsContact CD2-CE 3.49Å; T171-M200 HydrophobicContact CG2-CE 3.81Å; T171-M200 PolarHBondContact OG1-O 2.9Å; L188-M200 HydrophobicContact CD1-CE 3.48Å; L188-M200 VanDerWaalsContact CD1-CE 3.48Å; L188-M200 HydrophobicContact CD2-CE 3.5Å; L188-M200 HydrophobicContact CD2-SD 4.47Å; L188-M200 HydrophobicContact CG-CE 4.15Å; S196-M200 WeakPolarHBondContact O-CB 3.24Å; S196-M200 PolarHBondContact O-N 3.39Å; A197-M200 PolarHBondContact O-N 2.87Å; F198-M200 PolarHBondContact O-N 3.44Å; M200-G204 WeakPolarHBondContact O-CA 3.4Å; M200-G204 PolarHBondContact O-N 3.39Å; M200-I207 HydrophobicContact CG-CD1 4.49Å; M200-I207 HydrophobicContact CG-CG1 4.12Å; M200-I207 HydrophobicContact SD-CG1 3.98Å; M200-L217 HydrophobicContact SD-CD2 4.02Å
201	M	98.3	Very high	95.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-75.2	-33.2	-176.3	-65.3	-175.5	-67.8	0	0	113.4	T171 V174 P180 T185 L188 P189 A197 F198 I304 V308	T171-M201 WeakPolarHBondContact OG1-CA 3.5Å; V174-M201 WeakPolarHBondContact CB-O 3.48Å; V174-M201 WeakPolarHBondContact CG1-O 3.33Å; P180-M201 HydrophobicContact CG-CG 3.97Å; P180-M201 HydrophobicContact CG-SD 3.93Å; T185-M201 HydrophobicContact CG2-SD 4.09Å; L188-M201 HydrophobicContact CD1-CG 3.79Å; L188-M201 HydrophobicContact CD1-SD 3.96Å; P189-M201 HydrophobicContact CG-CE 4.27Å; A197-M201 HydrophobicContact CB-CE 4.03Å; A197-M201 WeakPolarHBondContact O-CG 3.39Å; A197-M201 PolarHBondContact O-N 2.78Å; F198-M201 PolarHBondContact O-N 3.41Å; M201-I304 HydrophobicContact CB-CG2 3.88Å; M201-I304 HydrophobicContact CE-CG2 4.33Å; M201-I304 WeakPolarHBondContact O-CD1 3.27Å; M201-V308 HydrophobicContact CE-CG2 3.49Å; M201-V308 VanDerWaalsContact CE-CG2 3.49Å
202	L	98	Very high	95.4	Very high	29 Å²	29	39 Å²	39	15%	0.152	20%	0.203	C	C	.	.	H	α-helix	trans	-85.6	-20.1	-178.4	-61.7	172.2	0	0	0	113.4	F198 V286 V290 P301 I304 I305	F198-L202 HydrophobicContact CB-CD1 3.92Å; F198-L202 HydrophobicContact CD1-CD1 4.07Å; F198-L202 HydrophobicContact CD1-CG 4.47Å; F198-L202 HydrophobicContact CG-CD1 4.29Å; F198-L202 WeakPolarHBondContact O-CB 3.37Å; F198-L202 WeakPolarHBondContact O-CG 3.36Å; F198-L202 PolarHBondContact O-N 3.41Å; L202-V286 HydrophobicContact CD1-CG1 3.38Å; L202-V290 HydrophobicContact CD1-CG2 3.98Å; L202-V290 HydrophobicContact CD2-CG2 4.44Å; L202-P301 HydrophobicContact CD2-CB 4.05Å; L202-P301 VanDerWaalsContact CD2-O 3.23Å; L202-P301 WeakPolarHBondContact CD2-O 3.17Å; L202-I304 HydrophobicContact CD2-CB 3.83Å; L202-I304 HydrophobicContact CD2-CD1 4.12Å; L202-I304 HydrophobicContact CD2-CG2 3.7Å; L202-I304 HydrophobicContact CG-CG2 4.27Å; L202-I305 HydrophobicContact CD1-CG1 4.46Å; L202-I305 HydrophobicContact CD2-CG1 4.4Å
203	T	96.6	Very high	95.6	Very high	61 Å²	61	41.9 Å²	41.9	37%	0.374	21%	0.214	S	C	.	.	H	α-helix	trans	-104.9	-19.4	177.9	70	0	0	0	0	113.6	M175 D199 R205	M175-T203 WeakPolarHBondContact CE-O 3.27Å; D199-T203 WeakPolarHBondContact O-CB 3.36Å; D199-T203 VanDerWaalsContact O-CG2 3.27Å; D199-T203 WeakPolarHBondContact O-CG2 3.41Å; D199-T203 PolarHBondContact O-N 2.96Å; D199-T203 PolarHBondContact O-OG1 2.94Å; T203-R205 PolarHBondContact O-N 2.9Å; T203-R205 VanDerWaalsContact O-N 3.12Å; T203-R205 WeakPolarHBondContact OG1-CB 3.27Å; T203-R205 WeakPolarHBondContact OG1-CG 3.42Å; T203-R205 PolarHBondContact OG1-N 2.8Å
204	G	96.3	Very high	95.6	Very high	8 Å²	8	49.7 Å²	49.7	8%	0.082	24%	0.243	C	C	.	.			trans	61.1	16.9	-174.9	0	0	0	0	0	114.9	T171 M200	T171-G204 VanDerWaalsContact O-CA 3.24Å; T171-G204 WeakPolarHBondContact O-CA 3.38Å; M200-G204 WeakPolarHBondContact O-CA 3.4Å; M200-G204 PolarHBondContact O-N 3.39Å
205	R	94.9	Very high	95.6	Very high	101 Å²	101	50.9 Å²	50.9	38%	0.381	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-72.3	144.5	-171.8	75	-175.1	-174.5	-178.8	-1.6	112.4	D199 T203 I207	D199-R205 IonicContact OD1-CZ 3.58Å; D199-R205 IonicContact OD1-NE 3.13Å; D199-R205 IonicContact OD1-NH1 3.35Å; D199-R205 PolarHBondContact OD1-NH1 3.01Å; D199-R205 VanDerWaalsContact OD1-NH1 3.13Å; D199-R205 IonicContact OD1-NH2 2.64Å; D199-R205 PolarHBondContact OD1-NH2 3.11Å; D199-R205 IonicContact OD2-CZ 2.75Å; D199-R205 IonicContact OD2-NE 3.07Å; D199-R205 PolarHBondContact OD2-NE 3.49Å; D199-R205 IonicContact OD2-NH1 2.82Å; D199-R205 IonicContact OD2-NH2 2.76Å; D199-R205 PolarHBondContact OD2-NH2 3.4Å; T203-R205 PolarHBondContact O-N 2.9Å; T203-R205 VanDerWaalsContact O-N 3.12Å; T203-R205 WeakPolarHBondContact OG1-CB 3.27Å; T203-R205 WeakPolarHBondContact OG1-CG 3.42Å; T203-R205 PolarHBondContact OG1-N 2.8Å; R205-I207 HydrophobicContact CG-CD1 3.95Å
206	N	95.9	Very high	95.6	Very high	89 Å²	89	47.6 Å²	47.6	48%	0.476	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-71.2	132	171.6	-70.2	-15.8	0	0	0	111.7	L146 V168	L146-N206 WeakPolarHBondContact CD2-OD1 3.32Å; V168-N206 HydrophobicContact CB-CB 4.07Å; V168-N206 HydrophobicContact CG1-CB 4.16Å
207	I	96.8	Very high	95.7	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.01	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-103.6	128.8	175.2	-52.4	-58.6	0	0	0	109.2	L169 M200 R205 K211 A212 M215	L169-I207 PolarHBondContact N-O 3.34Å; L169-I207 WeakPolarHBondContact O-CA 3.32Å; L169-I207 WeakPolarHBondContact O-CB 3.4Å; L169-I207 PolarHBondContact O-N 2.87Å; M200-I207 HydrophobicContact CG-CD1 4.49Å; M200-I207 HydrophobicContact CG-CG1 4.12Å; M200-I207 HydrophobicContact SD-CG1 3.98Å; R205-I207 HydrophobicContact CG-CD1 3.95Å; I207-K211 HydrophobicContact CG2-CB 4.03Å; I207-K211 HydrophobicContact CG2-CD 4.22Å; I207-K211 HydrophobicContact CG2-CG 4.04Å; I207-A212 HydrophobicContact CG2-CB 3.88Å; I207-M215 HydrophobicContact CG2-SD 3.84Å
208	R	95.5	Very high	95.7	Very high	130 Å²	130	45.4 Å²	45.4	49%	0.491	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-77	153.3	177.1	-63.6	-60.3	-171.9	-179.1	4.8	111.7	K165 D210 K211 A212	K165-R208 PolarHBondContact O-NH1 2.89Å; R208-D210 PolarHBondContact O-N 2.65Å; R208-K211 PolarHBondContact O-N 3.29Å; R208-A212 PolarHBondContact O-N 3.2Å
209	P	95.9	Very high	95.7	Very high	4 Å²	4	45.7 Å²	45.7	3%	0.026	21%	0.214	C	C	.	.	H	α-helix	trans	-56.8	-45	-172.1	-25.7	35.7	0	0	0	113.5	T162 T167 K211 A212 K213 L221	T162-P209 WeakPolarHBondContact O-CG 3.32Å; T167-P209 HydrophobicContact CG2-CG 3.91Å; T167-P209 VanDerWaalsContact O-CD 3.31Å; T167-P209 WeakPolarHBondContact O-CD 3.3Å; T167-P209 WeakPolarHBondContact O-CG 3.44Å; P209-K211 VanDerWaalsContact C-N 3.32Å; P209-K211 PolarHBondContact O-N 3.09Å; P209-A212 WeakPolarHBondContact O-CB 3.18Å; P209-A212 PolarHBondContact O-N 3.28Å; P209-K213 WeakPolarHBondContact O-CB 3.2Å; P209-K213 PolarHBondContact O-N 2.74Å; P209-L221 HydrophobicContact CB-CD1 4.47Å; P209-L221 HydrophobicContact CB-CD2 3.71Å
210	D	94.3	Very high	95.7	Very high	79 Å²	79	46.2 Å²	46.2	42%	0.422	22%	0.215	S	C	.	.	H	α-helix	trans	-59	-42.5	177.3	-66.9	-67.1	0	0	0	112.6	K163 R208 K214	K163-D210 WeakPolarHBondContact CD-OD1 3.49Å; K163-D210 WeakPolarHBondContact CE-OD1 3.17Å; K163-D210 WeakPolarHBondContact CE-OD2 3.28Å; K163-D210 IonicContact NZ-OD1 3.41Å; K163-D210 PolarHBondContact NZ-OD1 2.79Å; K163-D210 IonicContact NZ-OD2 3.6Å; R208-D210 PolarHBondContact O-N 2.65Å; D210-K214 WeakPolarHBondContact O-CB 3.49Å; D210-K214 PolarHBondContact O-N 3Å
211	K	94.3	Very high	95.7	Very high	93 Å²	93	47.9 Å²	47.9	40%	0.404	22%	0.224	S	C	.	.	H	α-helix	trans	-69.6	-42	177.2	-175.5	177.1	173.7	-172	0	110.7	I207 R208 P209 K213 K214 M215	I207-K211 HydrophobicContact CG2-CB 4.03Å; I207-K211 HydrophobicContact CG2-CD 4.22Å; I207-K211 HydrophobicContact CG2-CG 4.04Å; R208-K211 PolarHBondContact O-N 3.29Å; P209-K211 VanDerWaalsContact C-N 3.32Å; P209-K211 PolarHBondContact O-N 3.09Å; K211-K213 VanDerWaalsContact C-N 3.33Å; K211-K213 PolarHBondContact O-N 3.12Å; K211-K214 PolarHBondContact O-N 3.35Å; K211-M215 HydrophobicContact CG-SD 4.4Å; K211-M215 WeakPolarHBondContact O-CB 3.1Å; K211-M215 WeakPolarHBondContact O-CG 3.49Å; K211-M215 PolarHBondContact O-N 3.01Å
212	A	96.4	Very high	95.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59.8	-42.4	177.8	0	0	0	0	0	111.6	L169 I207 R208 P209 M215 G216 L217 V218	L169-A212 HydrophobicContact CD1-CB 3.86Å; I207-A212 HydrophobicContact CG2-CB 3.88Å; R208-A212 PolarHBondContact O-N 3.2Å; P209-A212 WeakPolarHBondContact O-CB 3.18Å; P209-A212 PolarHBondContact O-N 3.28Å; A212-M215 WeakPolarHBondContact O-CG 3.5Å; A212-G216 PolarHBondContact O-N 3.03Å; A212-L217 HydrophobicContact CB-CB 4.2Å; A212-L217 HydrophobicContact CB-CD2 4.19Å; A212-L217 WeakPolarHBondContact O-CB 3.5Å; A212-L217 PolarHBondContact O-N 3.43Å; A212-V218 HydrophobicContact CB-CB 4.27Å; A212-V218 HydrophobicContact CB-CG2 3.81Å; A212-V218 PolarHBondContact O-N 3.2Å; A212-V218 VanDerWaalsContact O-N 3.14Å
213	K	95.4	Very high	95.6	Very high	82 Å²	82	52 Å²	52	36%	0.357	25%	0.246	S	C	.	.	H	α-helix	trans	-65.1	-47.4	173.5	174.3	57.9	171.5	155.4	0	112	P209 K211 M215 G216 V218 H219 L221	P209-K213 WeakPolarHBondContact O-CB 3.2Å; P209-K213 PolarHBondContact O-N 2.74Å; K211-K213 VanDerWaalsContact C-N 3.33Å; K211-K213 PolarHBondContact O-N 3.12Å; K213-M215 VanDerWaalsContact C-N 3.3Å; K213-M215 PolarHBondContact O-N 2.91Å; K213-G216 PolarHBondContact O-N 3.38Å; K213-V218 WeakPolarHBondContact CA-O 3.21Å; K213-V218 VanDerWaalsContact CD-O 3.32Å; K213-V218 WeakPolarHBondContact CD-O 3.23Å; K213-H219 WeakPolarHBondContact CE-O 3.31Å; K213-H219 PolarHBondContact NZ-O 3.47Å; K213-L221 HydrophobicContact CB-CD1 3.63Å; K213-L221 HydrophobicContact CB-CD2 4.2Å; K213-L221 HydrophobicContact CB-CG 3.74Å; K213-L221 HydrophobicContact CG-CD1 4.02Å; K213-L221 HydrophobicContact CG-CG 4Å
214	K	92.4	Very high	95.5	Very high	184 Å²	184	52 Å²	52	80%	0.8	25%	0.247	S	C	*	.	H	α-helix	trans	-62	-36.3	-179.6	-175.9	175.2	179.3	177.1	0	112.9	D210 K211 G216	D210-K214 WeakPolarHBondContact O-CB 3.49Å; D210-K214 PolarHBondContact O-N 3Å; K211-K214 PolarHBondContact O-N 3.35Å; K214-G216 VanDerWaalsContact C-N 3.33Å
215	M	92.1	Very high	95.4	Very high	34 Å²	34	54.4 Å²	54.4	17%	0.167	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-4.1	179.9	72.6	-171	-68.6	0	0	113.9	L192 I207 K211 A212 K213 L217	L192-M215 HydrophobicContact CD1-CE 3.75Å; L192-M215 HydrophobicContact CD2-CE 4.24Å; L192-M215 HydrophobicContact CD2-CG 4.32Å; L192-M215 VanDerWaalsContact CD2-O 3.27Å; L192-M215 WeakPolarHBondContact CD2-O 3.32Å; L192-M215 HydrophobicContact CG-CE 4.47Å; I207-M215 HydrophobicContact CG2-SD 3.84Å; K211-M215 HydrophobicContact CG-SD 4.4Å; K211-M215 WeakPolarHBondContact O-CB 3.1Å; K211-M215 WeakPolarHBondContact O-CG 3.49Å; K211-M215 PolarHBondContact O-N 3.01Å; A212-M215 WeakPolarHBondContact O-CG 3.5Å; K213-M215 VanDerWaalsContact C-N 3.3Å; K213-M215 PolarHBondContact O-N 2.91Å; M215-L217 HydrophobicContact CG-CB 4.01Å; M215-L217 HydrophobicContact SD-CB 4.47Å
216	G	92.9	Very high	95.2	Very high	4 Å²	4	51.8 Å²	51.8	4%	0.041	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.6	3.6	178.2	0	0	0	0	0	115.7	A212 K213 K214 V218 Q260	A212-G216 PolarHBondContact O-N 3.03Å; K213-G216 PolarHBondContact O-N 3.38Å; K214-G216 VanDerWaalsContact C-N 3.33Å; G216-V218 VanDerWaalsContact C-N 3.32Å; G216-Q260 PolarHBondContact O-NE2 3.28Å; G216-Q260 PolarHBondContact O-OE1 2.96Å
217	L	96	Very high	95	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.278	C	S	.	.	S	Bend	trans	-65.7	-37.7	174.9	-177.2	61	0	0	0	111.5	L150 L154 R159 L169 L188 M191 L192 M200 A212 M215	L150-L217 HydrophobicContact CD1-CD1 4.22Å; L150-L217 HydrophobicContact CD2-CD2 4.47Å; L154-L217 HydrophobicContact CD2-CD1 3.7Å; R159-L217 VanDerWaalsContact CD-O 3.24Å; R159-L217 WeakPolarHBondContact CD-O 3.27Å; R159-L217 PolarHBondContact NE-O 3.33Å; L169-L217 HydrophobicContact CB-CD2 3.9Å; L169-L217 HydrophobicContact CD2-CD2 4.31Å; L169-L217 HydrophobicContact CD2-CG 4.45Å; L188-L217 HydrophobicContact CD2-CD1 3.96Å; M191-L217 HydrophobicContact SD-CD1 4.37Å; L192-L217 HydrophobicContact CD1-CD1 4.3Å; L192-L217 HydrophobicContact CD2-CB 4.02Å; M200-L217 HydrophobicContact SD-CD2 4.02Å; A212-L217 HydrophobicContact CB-CB 4.2Å; A212-L217 HydrophobicContact CB-CD2 4.19Å; A212-L217 WeakPolarHBondContact O-CB 3.5Å; A212-L217 PolarHBondContact O-N 3.43Å; M215-L217 HydrophobicContact CG-CB 4.01Å; M215-L217 HydrophobicContact SD-CB 4.47Å
218	V	97.1	Very high	94.7	Very high	0 Å²	0	56 Å²	56	0%	0	31%	0.305	C	S	.	.			trans	-115.5	137.2	177.5	171.2	0	0	0	0	109.8	R159 A161 L169 A212 K213 G216 Q220 L221	R159-V218 WeakPolarHBondContact O-CG1 3.44Å; A161-V218 HydrophobicContact CB-CG1 3.79Å; A161-V218 HydrophobicContact CB-CG2 4.08Å; L169-V218 HydrophobicContact CD1-CG2 4.17Å; L169-V218 HydrophobicContact CD2-CG2 3.59Å; A212-V218 HydrophobicContact CB-CB 4.27Å; A212-V218 HydrophobicContact CB-CG2 3.81Å; A212-V218 PolarHBondContact O-N 3.2Å; A212-V218 VanDerWaalsContact O-N 3.14Å; K213-V218 WeakPolarHBondContact CA-O 3.21Å; K213-V218 VanDerWaalsContact CD-O 3.32Å; K213-V218 WeakPolarHBondContact CD-O 3.23Å; G216-V218 VanDerWaalsContact C-N 3.32Å; V218-Q220 WeakPolarHBondContact CG1-O 3.4Å; V218-L221 HydrophobicContact CG1-CD2 3.96Å
219	H	96.8	Very high	94.5	Very high	11 Å²	11	58.9 Å²	58.9	5%	0.051	33%	0.329	C	S	.	.	S	Bend	trans	-83.8	-33	-178.6	-63.9	99.8	0	0	0	113.5	Q157 Y158 R159 K213 T258 Q260	Q157-H219 PolarHBondContact O-CE1 3.34Å; Y158-H219 HydrophobicContact CD1-CB 3.84Å; Y158-H219 HydrophobicContact CD2-CB 3.89Å; Y158-H219 AromaticContact CD2-CD2 3.86Å; Y158-H219 AromaticContact CD2-CG 3.7Å; Y158-H219 AromaticContact CD2-ND1 3.93Å; Y158-H219 HydrophobicContact CE1-CB 3.46Å; Y158-H219 VanDerWaalsContact CE1-CB 3.46Å; Y158-H219 HydrophobicContact CE2-CB 3.55Å; Y158-H219 AromaticContact CE2-CD2 3.75Å; Y158-H219 AromaticContact CE2-CG 3.7Å; Y158-H219 HydrophobicContact CG-CB 4.04Å; R159-H219 PolarHBondContact N-ND1 3Å; R159-H219 PolarHBondContact NH2-CE1 3.33Å; R159-H219 WeakPolarHBondContact O-CA 3.48Å; R159-H219 WeakPolarHBondContact O-CB 3.22Å; R159-H219 PolarHBondContact O-N 3.24Å; K213-H219 WeakPolarHBondContact CE-O 3.31Å; K213-H219 PolarHBondContact NZ-O 3.47Å; H219-T258 PolarHBondContact NE2-O 2.86Å; H219-Q260 VanDerWaalsContact CD2-CG 3.48Å; H219-Q260 WeakPolarHBondContact CD2-CG 3.33Å; H219-Q260 PolarHBondContact CD2-NE2 3.35Å
220	Q	97.1	Very high	94.4	Very high	59 Å²	59	63.4 Å²	63.4	28%	0.276	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	149.8	178.9	-172.1	61.9	-23.9	0	0	112.2	Y158 R159 I160 A161 V218 Y247	Y158-Q220 HydrophobicContact CE1-CB 4.1Å; R159-Q220 PolarHBondContact O-N 3.27Å; I160-Q220 CarbonylContact C-O 3.57Å; I160-Q220 WeakPolarHBondContact CA-O 3.36Å; I160-Q220 HydrophobicContact CG1-CB 4.29Å; I160-Q220 HydrophobicContact CG2-CB 4.38Å; A161-Q220 PolarHBondContact N-O 2.87Å; V218-Q220 WeakPolarHBondContact CG1-O 3.4Å; Q220-Y247 HydrophobicContact CG-CE1 4.49Å; Q220-Y247 PolarHBondContact NE2-OH 3.06Å
221	L	97.8	Very high	94.4	Very high	35 Å²	35	61.9 Å²	61.9	18%	0.183	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	146.5	174.2	-63.7	179.6	0	0	0	110.8	A161 K163 P209 K213 V218	A161-L221 HydrophobicContact CB-CD2 4.06Å; A161-L221 VanDerWaalsContact O-CA 3.29Å; A161-L221 WeakPolarHBondContact O-CA 3.26Å; A161-L221 WeakPolarHBondContact O-CD2 3.41Å; K163-L221 HydrophobicContact CD-CD1 4.44Å; P209-L221 HydrophobicContact CB-CD1 4.47Å; P209-L221 HydrophobicContact CB-CD2 3.71Å; K213-L221 HydrophobicContact CB-CD1 3.63Å; K213-L221 HydrophobicContact CB-CD2 4.2Å; K213-L221 HydrophobicContact CB-CG 3.74Å; K213-L221 HydrophobicContact CG-CD1 4.02Å; K213-L221 HydrophobicContact CG-CG 4Å; V218-L221 HydrophobicContact CG1-CD2 3.96Å
222	V	97.3	Very high	94.3	Very high	11 Å²	11	60 Å²	60	7%	0.067	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	130.3	173.3	179.4	0	0	0	0	108.1	I160 A161 T162 K163 Y239 L240 I243	I160-V222 HydrophobicContact CG2-CG2 3.61Å; A161-V222 PolarHBondContact O-N 2.64Å; T162-V222 CarbonylContact C-O 3.52Å; T162-V222 VanDerWaalsContact CA-O 3.32Å; T162-V222 WeakPolarHBondContact CA-O 3.34Å; K163-V222 PolarHBondContact N-O 3.11Å; V222-Y239 HydrophobicContact CG1-CD1 3.66Å; V222-Y239 HydrophobicContact CG1-CE1 3.47Å; V222-Y239 VanDerWaalsContact CG1-CE1 3.47Å; V222-L240 HydrophobicContact CB-CD1 4.44Å; V222-L240 HydrophobicContact CG2-CD1 4.28Å; V222-I243 HydrophobicContact CG2-CG2 4.02Å
223	D	96.4	Very high	94.1	Very high	105 Å²	105	64 Å²	64	56%	0.561	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-71.6	139.2	174.9	-72.9	-51.1	0	0	0	110.5	K163	K163-D223 WeakPolarHBondContact CD-OD1 3.47Å
224	P	94.2	Very high	94	Very high	61 Å²	61	64.9 Å²	64.9	40%	0.396	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-64.7	146	173.2	29.1	-34	0	0	0	110.5	K163 T236	K163-P224 WeakPolarHBondContact O-CD 3.31Å; P224-T236 HydrophobicContact CB-CG2 4.02Å
225	L	93.8	Very high	94.1	Very high	58 Å²	58	59.2 Å²	59.2	30%	0.304	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-87.4	152.2	-179.1	-62	-177	0	0	0	111.7	R235 T236 Y239	L225-R235 HydrophobicContact CD1-CG 3.83Å; L225-T236 PolarHBondContact N-OG1 3.33Å; L225-Y239 VanDerWaalsContact CD1-CB 3.49Å; L225-Y239 HydrophobicContact CD1-CD1 3.73Å; L225-Y239 HydrophobicContact CD1-CD2 4.29Å; L225-Y239 HydrophobicContact CD1-CG 3.58Å; L225-Y239 HydrophobicContact CD2-CD1 3.96Å; L225-Y239 HydrophobicContact CD2-CE1 4.09Å; L225-Y239 HydrophobicContact CG-CD1 3.83Å; L225-Y239 HydrophobicContact CG-CE1 4.47Å; L225-Y239 HydrophobicContact CG-CG 4.21Å
226	G	91.9	Very high	94.3	Very high	47 Å²	47	58 Å²	58	49%	0.485	33%	0.333	S	S	.	.			trans	-77.8	-174.7	172.4	0	0	0	0	0	113.3
227	P	90.3	Very high	94.5	Very high	122 Å²	122	58.5 Å²	58.5	79%	0.792	34%	0.335	S	S	*	.	S	Bend	trans	-57.8	142.2	176.6	-22.4	33.5	0	0	0	113.1	P232	P227-P232 HydrophobicContact CB-CG 4.43Å; P227-P232 HydrophobicContact CG-CG 4.17Å
228	G	90.3	Very high	94.5	Very high	56 Å²	56	61.4 Å²	61.4	58%	0.577	35%	0.348	S	S	*	.	S	Bend	trans	-153.6	-147.6	177.1	0	0	0	0	0	111.4	K230	G228-K230 VanDerWaalsContact C-N 3.25Å; G228-K230 PolarHBondContact O-N 3.35Å
229	L	91.9	Very high	94.5	Very high	191 Å²	191	65 Å²	65	100%	1	36%	0.363	S	S	*	.	S	Bend	trans	-64.9	-28.7	177.6	-64.3	176.9	0	0	0	113.3
230	K	94	Very high	94.6	Very high	100 Å²	100	64.5 Å²	64.5	44%	0.435	36%	0.36	S	S	.	.	S	Bend	trans	-113.9	169.9	173.8	-65	178.3	-177.8	169.3	0	109.7	G228 E234 R235 E238	G228-K230 VanDerWaalsContact C-N 3.25Å; G228-K230 PolarHBondContact O-N 3.35Å; K230-E234 HydrophobicContact CB-CB 4.31Å; K230-R235 HydrophobicContact CB-CB 4.4Å; K230-E238 VanDerWaalsContact CD-OE1 3.26Å; K230-E238 WeakPolarHBondContact CD-OE1 3.39Å; K230-E238 WeakPolarHBondContact CD-OE2 3.41Å; K230-E238 WeakPolarHBondContact CE-OE1 3.42Å; K230-E238 IonicContact NZ-OE1 3.74Å; K230-E238 PolarHBondContact NZ-OE1 2.86Å; K230-E238 IonicContact NZ-OE2 3.29Å; K230-E238 PolarHBondContact NZ-OE2 2.96Å
231	S	93.4	Very high	94.6	Very high	47 Å²	47	62.2 Å²	62.2	33%	0.329	35%	0.35	S	S	.	.			trans	-59.3	150.9	175.6	70.9	0	0	0	0	110.9	E233 E234 R235	S231-E233 PolarHBondContact O-N 2.79Å; S231-E234 WeakPolarHBondContact CB-OE2 3.45Å; S231-E234 PolarHBondContact N-OE2 3.19Å; S231-E234 PolarHBondContact O-N 2.8Å; S231-E234 WeakPolarHBondContact OG-CB 3.33Å; S231-E234 WeakPolarHBondContact OG-CG 3.47Å; S231-E234 PolarHBondContact OG-N 3.38Å; S231-E234 PolarHBondContact OG-OE2 3.49Å; S231-R235 PolarHBondContact O-N 3.35Å
232	P	93.1	Very high	94.6	Very high	54 Å²	54	64.4 Å²	64.4	35%	0.351	36%	0.359	S	S	.	.	H	α-helix	trans	-54.3	-37.6	179.3	-26.6	32.6	0	0	0	113.4	P227 T236	P227-P232 HydrophobicContact CB-CG 4.43Å; P227-P232 HydrophobicContact CG-CG 4.17Å; P232-T236 WeakPolarHBondContact O-CB 3.39Å; P232-T236 PolarHBondContact O-N 3.5Å; P232-T236 PolarHBondContact O-OG1 2.8Å
233	E	91.4	Very high	94.6	Very high	83 Å²	83	65.1 Å²	65.1	39%	0.388	36%	0.362	S	S	.	.	H	α-helix	trans	-69.1	-48	179.5	-69.6	-167.5	164.4	0	0	111.7	P95 K166 S231 T236 I237	P95-E233 WeakPolarHBondContact CB-OE2 3.44Å; K166-E233 IonicContact NZ-OE1 3.03Å; K166-E233 PolarHBondContact NZ-OE1 3.48Å; S231-E233 PolarHBondContact O-N 2.79Å; E233-T236 PolarHBondContact O-N 2.86Å; E233-I237 WeakPolarHBondContact O-CG1 3.48Å; E233-I237 PolarHBondContact O-N 2.87Å
234	E	93.9	Very high	94.7	Very high	100 Å²	100	60.1 Å²	60.1	47%	0.467	34%	0.335	S	S	.	.	H	α-helix	trans	-62.2	-48.4	177.9	-70.7	162.4	161.4	0	0	111.3	K230 S231 T236 I237 E238	K230-E234 HydrophobicContact CB-CB 4.31Å; S231-E234 WeakPolarHBondContact CB-OE2 3.45Å; S231-E234 PolarHBondContact N-OE2 3.19Å; S231-E234 PolarHBondContact O-N 2.8Å; S231-E234 WeakPolarHBondContact OG-CB 3.33Å; S231-E234 WeakPolarHBondContact OG-CG 3.47Å; S231-E234 PolarHBondContact OG-N 3.38Å; S231-E234 PolarHBondContact OG-OE2 3.49Å; E234-T236 VanDerWaalsContact C-N 3.27Å; E234-T236 PolarHBondContact O-N 3.12Å; E234-I237 PolarHBondContact O-N 3.48Å; E234-I237 VanDerWaalsContact O-N 3.12Å; E234-E238 PolarHBondContact O-N 3.03Å
235	R	95.6	Very high	94.9	Very high	65 Å²	65	58.1 Å²	58.1	25%	0.245	32%	0.322	C	S	.	.	H	α-helix	trans	-64.7	-34	179.7	179.3	57.1	-158.8	135.3	0.3	112	L225 K230 S231 E238 Y239 E242	L225-R235 HydrophobicContact CD1-CG 3.83Å; K230-R235 HydrophobicContact CB-CB 4.4Å; S231-R235 PolarHBondContact O-N 3.35Å; R235-E238 PolarHBondContact O-N 2.92Å; R235-Y239 VanDerWaalsContact O-CB 3.32Å; R235-Y239 WeakPolarHBondContact O-CB 3.33Å; R235-Y239 PolarHBondContact O-N 3.37Å; R235-E242 IonicContact CZ-OE1 3.13Å; R235-E242 IonicContact CZ-OE2 3.33Å; R235-E242 IonicContact NH1-OE1 3.62Å; R235-E242 PolarHBondContact NH1-OE1 2.91Å; R235-E242 IonicContact NH1-OE2 2.65Å; R235-E242 PolarHBondContact NH1-OE2 2.82Å; R235-E242 IonicContact NH2-OE1 2.88Å; R235-E242 PolarHBondContact NH2-OE1 3.45Å; R235-E242 IonicContact NH2-OE2 3.34Å; R235-E242 PolarHBondContact NH2-OE2 3.43Å
236	T	96.1	Very high	95.1	Very high	8 Å²	8	60.9 Å²	60.9	5%	0.049	33%	0.334	C	S	.	.	H	α-helix	trans	-65	-39.8	174.2	-64.8	0	0	0	0	111.8	T162 P224 L225 P232 E233 E234 Y239 L240	T162-T236 HydrophobicContact CG2-CG2 4.11Å; P224-T236 HydrophobicContact CB-CG2 4.02Å; L225-T236 PolarHBondContact N-OG1 3.33Å; P232-T236 WeakPolarHBondContact O-CB 3.39Å; P232-T236 PolarHBondContact O-N 3.5Å; P232-T236 PolarHBondContact O-OG1 2.8Å; E233-T236 PolarHBondContact O-N 2.86Å; E234-T236 VanDerWaalsContact C-N 3.27Å; E234-T236 PolarHBondContact O-N 3.12Å; T236-Y239 PolarHBondContact O-N 3.26Å; T236-L240 VanDerWaalsContact O-CB 3.32Å; T236-L240 WeakPolarHBondContact O-CB 3.25Å; T236-L240 PolarHBondContact O-N 2.79Å
237	I	96.1	Very high	95.3	Very high	15 Å²	15	61 Å²	61	8%	0.077	32%	0.319	C	S	.	.	H	α-helix	trans	-65.1	-46	176.6	-68.9	168.4	0	0	0	110.2	I91 P95 N142 E233 E234 Y239 L240 E241	I91-I237 HydrophobicContact CD1-CG2 4.15Å; P95-I237 HydrophobicContact CG-CD1 4.39Å; N142-I237 WeakPolarHBondContact ND2-CG1 3.35Å; E233-I237 WeakPolarHBondContact O-CG1 3.48Å; E233-I237 PolarHBondContact O-N 2.87Å; E234-I237 PolarHBondContact O-N 3.48Å; E234-I237 VanDerWaalsContact O-N 3.12Å; I237-Y239 VanDerWaalsContact C-N 3.35Å; I237-Y239 PolarHBondContact O-N 3.16Å; I237-L240 WeakPolarHBondContact O-CB 3.32Å; I237-L240 PolarHBondContact O-N 3.21Å; I237-E241 PolarHBondContact O-N 3.13Å
238	E	96.3	Very high	95.7	Very high	61 Å²	61	55.1 Å²	55.1	29%	0.285	28%	0.282	S	S	.	.	H	α-helix	trans	-60.5	-43.7	176.7	-71.1	172.4	-169.2	0	0	112	K230 E234 R235 E241 E242	K230-E238 VanDerWaalsContact CD-OE1 3.26Å; K230-E238 WeakPolarHBondContact CD-OE1 3.39Å; K230-E238 WeakPolarHBondContact CD-OE2 3.41Å; K230-E238 WeakPolarHBondContact CE-OE1 3.42Å; K230-E238 IonicContact NZ-OE1 3.74Å; K230-E238 PolarHBondContact NZ-OE1 2.86Å; K230-E238 IonicContact NZ-OE2 3.29Å; K230-E238 PolarHBondContact NZ-OE2 2.96Å; E234-E238 PolarHBondContact O-N 3.03Å; R235-E238 PolarHBondContact O-N 2.92Å; E238-E241 WeakPolarHBondContact O-CB 3.42Å; E238-E241 PolarHBondContact O-N 2.88Å; E238-E242 VanDerWaalsContact O-CG 3.31Å; E238-E242 WeakPolarHBondContact O-CG 3.47Å; E238-E242 PolarHBondContact O-N 3.12Å
239	Y	97.4	Very high	96	Very high	76 Å²	76	58.1 Å²	58.1	30%	0.298	28%	0.275	S	S	.	.	H	α-helix	trans	-66	-39.7	177	-178.1	-122.5	0	0	0	112.5	V222 L225 R235 T236 I237 E241 E242 I243	V222-Y239 HydrophobicContact CG1-CD1 3.66Å; V222-Y239 HydrophobicContact CG1-CE1 3.47Å; V222-Y239 VanDerWaalsContact CG1-CE1 3.47Å; L225-Y239 VanDerWaalsContact CD1-CB 3.49Å; L225-Y239 HydrophobicContact CD1-CD1 3.73Å; L225-Y239 HydrophobicContact CD1-CD2 4.29Å; L225-Y239 HydrophobicContact CD1-CG 3.58Å; L225-Y239 HydrophobicContact CD2-CD1 3.96Å; L225-Y239 HydrophobicContact CD2-CE1 4.09Å; L225-Y239 HydrophobicContact CG-CD1 3.83Å; L225-Y239 HydrophobicContact CG-CE1 4.47Å; L225-Y239 HydrophobicContact CG-CG 4.21Å; R235-Y239 VanDerWaalsContact O-CB 3.32Å; R235-Y239 WeakPolarHBondContact O-CB 3.33Å; R235-Y239 PolarHBondContact O-N 3.37Å; T236-Y239 PolarHBondContact O-N 3.26Å; I237-Y239 VanDerWaalsContact C-N 3.35Å; I237-Y239 PolarHBondContact O-N 3.16Å; Y239-E241 VanDerWaalsContact C-N 3.27Å; Y239-E241 PolarHBondContact O-N 2.93Å; Y239-E242 PolarHBondContact O-N 3Å; Y239-I243 HydrophobicContact CD2-CG1 4.26Å; Y239-I243 HydrophobicContact CE1-CG1 4.33Å; Y239-I243 HydrophobicContact CE2-CD1 3.96Å; Y239-I243 HydrophobicContact CE2-CG1 3.89Å; Y239-I243 VanDerWaalsContact O-CG1 3.3Å; Y239-I243 WeakPolarHBondContact O-CG1 3.16Å; Y239-I243 PolarHBondContact O-N 2.99Å
240	L	97.9	Very high	96.2	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-60.3	-40.7	173.5	177	67.8	0	0	0	111.1	I91 A140 N142 I160 T162 V222 T236 I237 A244	I91-L240 HydrophobicContact CD1-CD2 4.21Å; I91-L240 HydrophobicContact CD1-CG 4.34Å; A140-L240 HydrophobicContact CB-CD2 4.13Å; A140-L240 HydrophobicContact CB-CG 4.05Å; N142-L240 HydrophobicContact CB-CD2 3.89Å; I160-L240 HydrophobicContact CB-CD1 4.41Å; I160-L240 HydrophobicContact CG2-CD1 3.8Å; T162-L240 HydrophobicContact CG2-CB 4.38Å; T162-L240 HydrophobicContact CG2-CD1 4.11Å; T162-L240 HydrophobicContact CG2-CD2 3.77Å; T162-L240 HydrophobicContact CG2-CG 4.3Å; V222-L240 HydrophobicContact CB-CD1 4.44Å; V222-L240 HydrophobicContact CG2-CD1 4.28Å; T236-L240 VanDerWaalsContact O-CB 3.32Å; T236-L240 WeakPolarHBondContact O-CB 3.25Å; T236-L240 PolarHBondContact O-N 2.79Å; I237-L240 WeakPolarHBondContact O-CB 3.32Å; I237-L240 PolarHBondContact O-N 3.21Å; L240-A244 VanDerWaalsContact O-CB 3.24Å; L240-A244 WeakPolarHBondContact O-CB 3.35Å; L240-A244 PolarHBondContact O-N 3.21Å
241	E	98.1	Very high	96.3	Very high	12 Å²	12	45.2 Å²	45.2	6%	0.056	21%	0.213	C	C	.	.	H	α-helix	trans	-64	-48.9	176.3	-164.9	-172.8	107.6	0	0	112	K46 V51 R53 I91 I237 E238 Y239 I243 A244 V245	K46-E241 WeakPolarHBondContact CE-OE1 3.48Å; K46-E241 IonicContact NZ-OE1 3.01Å; K46-E241 PolarHBondContact NZ-OE1 3.05Å; V51-E241 HydrophobicContact CG1-CG 3.74Å; R53-E241 IonicContact CZ-OE1 2.94Å; R53-E241 IonicContact CZ-OE2 3.81Å; R53-E241 VanDerWaalsContact CZ-OE2 3.25Å; R53-E241 IonicContact NE-OE2 2.82Å; R53-E241 PolarHBondContact NE-OE2 3.36Å; R53-E241 IonicContact NH2-OE1 2.68Å; R53-E241 PolarHBondContact NH2-OE1 3.03Å; R53-E241 IonicContact NH2-OE2 3.12Å; R53-E241 PolarHBondContact NH2-OE2 3.07Å; I91-E241 HydrophobicContact CD1-CB 3.67Å; I91-E241 HydrophobicContact CD1-CG 4.13Å; I237-E241 PolarHBondContact O-N 3.13Å; E238-E241 WeakPolarHBondContact O-CB 3.42Å; E238-E241 PolarHBondContact O-N 2.88Å; Y239-E241 VanDerWaalsContact C-N 3.27Å; Y239-E241 PolarHBondContact O-N 2.93Å; E241-I243 VanDerWaalsContact C-N 3.33Å; E241-I243 PolarHBondContact O-N 2.7Å; E241-A244 PolarHBondContact O-N 2.71Å; E241-A244 VanDerWaalsContact O-N 3.09Å; E241-V245 WeakPolarHBondContact O-CG2 3.31Å; E241-V245 PolarHBondContact O-N 2.83Å
242	E	97.5	Very high	96.4	Very high	81 Å²	81	44.3 Å²	44.3	38%	0.379	21%	0.209	S	C	.	.	H	α-helix	trans	-52.4	-51.7	176.1	-73.4	160.1	-162	0	0	110.8	R235 E238 Y239 A244 V245 E246	R235-E242 IonicContact CZ-OE1 3.13Å; R235-E242 IonicContact CZ-OE2 3.33Å; R235-E242 IonicContact NH1-OE1 3.62Å; R235-E242 PolarHBondContact NH1-OE1 2.91Å; R235-E242 IonicContact NH1-OE2 2.65Å; R235-E242 PolarHBondContact NH1-OE2 2.82Å; R235-E242 IonicContact NH2-OE1 2.88Å; R235-E242 PolarHBondContact NH2-OE1 3.45Å; R235-E242 IonicContact NH2-OE2 3.34Å; R235-E242 PolarHBondContact NH2-OE2 3.43Å; E238-E242 VanDerWaalsContact O-CG 3.31Å; E238-E242 WeakPolarHBondContact O-CG 3.47Å; E238-E242 PolarHBondContact O-N 3.12Å; Y239-E242 PolarHBondContact O-N 3Å; E242-A244 PolarHBondContact O-N 3.41Å; E242-V245 PolarHBondContact O-N 3.03Å; E242-E246 WeakPolarHBondContact O-CG 3.49Å; E242-E246 PolarHBondContact O-N 3.42Å; E242-E246 VanDerWaalsContact O-N 3.08Å
243	I	97.9	Very high	96.5	Very high	25 Å²	25	46.7 Å²	46.7	13%	0.128	22%	0.218	C	C	.	.	H	α-helix	trans	-62.9	-42.4	177.2	-64.3	-63.2	0	0	0	111.1	I160 V222 Y239 E241 V245 E246 Y247	I160-I243 HydrophobicContact CD1-CG2 4.27Å; V222-I243 HydrophobicContact CG2-CG2 4.02Å; Y239-I243 HydrophobicContact CD2-CG1 4.26Å; Y239-I243 HydrophobicContact CE1-CG1 4.33Å; Y239-I243 HydrophobicContact CE2-CD1 3.96Å; Y239-I243 HydrophobicContact CE2-CG1 3.89Å; Y239-I243 VanDerWaalsContact O-CG1 3.3Å; Y239-I243 WeakPolarHBondContact O-CG1 3.16Å; Y239-I243 PolarHBondContact O-N 2.99Å; E241-I243 VanDerWaalsContact C-N 3.33Å; E241-I243 PolarHBondContact O-N 2.7Å; I243-V245 VanDerWaalsContact C-N 3.33Å; I243-V245 PolarHBondContact O-N 3.09Å; I243-E246 PolarHBondContact O-N 3.47Å; I243-Y247 HydrophobicContact CG2-CD2 3.79Å; I243-Y247 HydrophobicContact CG2-CE2 3.82Å; I243-Y247 VanDerWaalsContact O-CD2 3.25Å; I243-Y247 WeakPolarHBondContact O-CD2 3.33Å; I243-Y247 PolarHBondContact O-N 2.97Å
244	A	98	Very high	96.6	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64	-37.8	179.4	0	0	0	0	0	112.7	V89 V138 A140 I160 L240 E241 E242 Y247 A248	V89-A244 HydrophobicContact CG1-CB 3.66Å; V89-A244 HydrophobicContact CG2-CB 3.97Å; V138-A244 HydrophobicContact CG1-CB 4.18Å; A140-A244 HydrophobicContact CB-CB 3.79Å; I160-A244 HydrophobicContact CD1-CB 4.39Å; L240-A244 VanDerWaalsContact O-CB 3.24Å; L240-A244 WeakPolarHBondContact O-CB 3.35Å; L240-A244 PolarHBondContact O-N 3.21Å; E241-A244 PolarHBondContact O-N 2.71Å; E241-A244 VanDerWaalsContact O-N 3.09Å; E242-A244 PolarHBondContact O-N 3.41Å; A244-Y247 PolarHBondContact O-N 3.46Å; A244-A248 WeakPolarHBondContact O-CB 3.33Å; A244-A248 PolarHBondContact O-N 3.31Å
245	V	98.2	Very high	96.5	Very high	20 Å²	20	50.8 Å²	50.8	12%	0.121	25%	0.248	C	C	.	.	H	α-helix	trans	-64.3	-45.4	175	168.8	0	0	0	0	110.9	V49 V51 V89 E241 E242 I243 Y247 A248 R249	V49-V245 HydrophobicContact CB-CG1 4.15Å; V49-V245 HydrophobicContact CG1-CG1 4.35Å; V49-V245 HydrophobicContact CG1-CG2 4.33Å; V49-V245 HydrophobicContact CG2-CG1 4.05Å; V51-V245 HydrophobicContact CG2-CG2 3.55Å; V89-V245 HydrophobicContact CG2-CG2 4.1Å; E241-V245 WeakPolarHBondContact O-CG2 3.31Å; E241-V245 PolarHBondContact O-N 2.83Å; E242-V245 PolarHBondContact O-N 3.03Å; I243-V245 VanDerWaalsContact C-N 3.33Å; I243-V245 PolarHBondContact O-N 3.09Å; V245-Y247 VanDerWaalsContact C-N 3.32Å; V245-Y247 PolarHBondContact O-N 2.98Å; V245-A248 PolarHBondContact O-N 3.47Å; V245-R249 PolarHBondContact O-N 2.85Å
246	E	97.3	Very high	96.3	Very high	116 Å²	116	49.9 Å²	49.9	54%	0.542	25%	0.247	S	C	.	.	H	α-helix	trans	-59	-44.3	175.7	-72.3	-178.8	176.4	0	0	111.9	E242 I243 G250	E242-E246 WeakPolarHBondContact O-CG 3.49Å; E242-E246 PolarHBondContact O-N 3.42Å; E242-E246 VanDerWaalsContact O-N 3.08Å; I243-E246 PolarHBondContact O-N 3.47Å; E246-G250 PolarHBondContact O-N 3.48Å
247	Y	97.5	Very high	95.9	Very high	48 Å²	48	53.3 Å²	53.3	19%	0.188	27%	0.272	C	S	.	.	H	α-helix	trans	-66.2	-41.9	177.1	-89.5	-103.8	0	0	0	112.2	Y158 I160 Q220 I243 A244 V245 R249 G250 I251 I256	Y158-Y247 HydrophobicContact CD1-CD1 4.06Å; Y158-Y247 AromaticContact CE1-CD1 3.45Å; Y158-Y247 HydrophobicContact CE1-CD1 3.45Å; Y158-Y247 VanDerWaalsContact CE1-CD1 3.45Å; Y158-Y247 AromaticContact CE1-CE1 3.72Å; Y158-Y247 HydrophobicContact CE1-CE1 3.72Å; Y158-Y247 HydrophobicContact CE1-CG 4.44Å; Y158-Y247 AromaticContact CZ-CD1 3.91Å; Y158-Y247 AromaticContact CZ-CE1 3.94Å; I160-Y247 HydrophobicContact CD1-CD1 4.18Å; I160-Y247 HydrophobicContact CD1-CD2 3.94Å; I160-Y247 HydrophobicContact CD1-CG 3.7Å; Q220-Y247 HydrophobicContact CG-CE1 4.49Å; Q220-Y247 PolarHBondContact NE2-OH 3.06Å; I243-Y247 HydrophobicContact CG2-CD2 3.79Å; I243-Y247 HydrophobicContact CG2-CE2 3.82Å; I243-Y247 VanDerWaalsContact O-CD2 3.25Å; I243-Y247 WeakPolarHBondContact O-CD2 3.33Å; I243-Y247 PolarHBondContact O-N 2.97Å; A244-Y247 PolarHBondContact O-N 3.46Å; V245-Y247 VanDerWaalsContact C-N 3.32Å; V245-Y247 PolarHBondContact O-N 2.98Å; Y247-R249 PolarHBondContact O-N 3.46Å; Y247-G250 PolarHBondContact O-N 2.99Å; Y247-I251 WeakPolarHBondContact O-CD1 3.27Å; Y247-I251 WeakPolarHBondContact O-CG1 3.48Å; Y247-I251 PolarHBondContact O-N 3.43Å; Y247-I256 HydrophobicContact CD1-CD1 3.8Å; Y247-I256 HydrophobicContact CD1-CG2 4.09Å; Y247-I256 HydrophobicContact CE1-CD1 4.19Å; Y247-I256 HydrophobicContact CE1-CG2 4.33Å; Y247-I256 HydrophobicContact CG-CD1 4.01Å
248	A	97.7	Very high	95.3	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-59.3	-47.7	177.8	0	0	0	0	0	111.1	V49 S87 V89 V138 A244 V245 G250 I251 A252	V49-A248 HydrophobicContact CG1-CB 3.85Å; S87-A248 PolarHBondContact OG-O 3.49Å; V89-A248 HydrophobicContact CG2-CB 3.86Å; V138-A248 HydrophobicContact CB-CB 4.43Å; V138-A248 HydrophobicContact CG2-CB 3.68Å; A244-A248 WeakPolarHBondContact O-CB 3.33Å; A244-A248 PolarHBondContact O-N 3.31Å; V245-A248 PolarHBondContact O-N 3.47Å; A248-G250 PolarHBondContact O-N 3.02Å; A248-I251 PolarHBondContact O-N 3.45Å; A248-A252 PolarHBondContact O-N 3.43Å
249	R	97.3	Very high	94.5	Very high	118 Å²	118	60 Å²	60	45%	0.445	31%	0.307	S	S	.	.	H	α-helix	trans	-63.1	-42.3	175.7	-165.8	-179.5	72.4	-175.6	0.9	112.1	V49 V245 Y247 I251 A252 N253	V49-R249 HydrophobicContact CG2-CB 4.12Å; V245-R249 PolarHBondContact O-N 2.85Å; Y247-R249 PolarHBondContact O-N 3.46Å; R249-I251 VanDerWaalsContact C-N 3.31Å; R249-I251 PolarHBondContact O-N 3.04Å; R249-A252 PolarHBondContact O-N 3.16Å; R249-N253 WeakPolarHBondContact O-CB 3.48Å; R249-N253 PolarHBondContact O-N 3.28Å
250	G	96.5	Very high	93.3	Very high	5 Å²	5	59.9 Å²	59.9	5%	0.052	31%	0.309	C	S	.	.	H	α-helix	trans	-63.5	-35.1	177.2	0	0	0	0	0	113.2	E246 Y247 A248 Q254 S255 I256	E246-G250 PolarHBondContact O-N 3.48Å; Y247-G250 PolarHBondContact O-N 2.99Å; A248-G250 PolarHBondContact O-N 3.02Å; G250-Q254 PolarHBondContact O-N 3.4Å; G250-Q254 VanDerWaalsContact O-N 3.17Å; G250-S255 VanDerWaalsContact CA-OG 3.22Å; G250-S255 WeakPolarHBondContact CA-OG 3.42Å; G250-S255 PolarHBondContact O-N 3.46Å; G250-S255 PolarHBondContact O-OG 3.42Å; G250-S255 VanDerWaalsContact O-OG 3.08Å; G250-I256 PolarHBondContact O-N 2.88Å
251	I	96.3	Very high	92.1	Very high	15 Å²	15	69.9 Å²	69.9	8%	0.077	35%	0.352	C	S	.	.	H	α-helix	trans	-71.1	-44	175.1	-64.7	160.7	0	0	0	110.7	P136 V138 Y158 Y247 A248 R249 N253 Q254 I256 T258	P136-I251 HydrophobicContact CB-CB 4.15Å; P136-I251 HydrophobicContact CB-CG2 3.53Å; P136-I251 HydrophobicContact CG-CB 4.46Å; P136-I251 HydrophobicContact CG-CG2 3.72Å; V138-I251 HydrophobicContact CG2-CD1 3.93Å; Y158-I251 HydrophobicContact CD1-CD1 4.44Å; Y158-I251 HydrophobicContact CD2-CD1 3.93Å; Y158-I251 HydrophobicContact CG-CD1 3.77Å; Y247-I251 WeakPolarHBondContact O-CD1 3.27Å; Y247-I251 WeakPolarHBondContact O-CG1 3.48Å; Y247-I251 PolarHBondContact O-N 3.43Å; A248-I251 PolarHBondContact O-N 3.45Å; R249-I251 VanDerWaalsContact C-N 3.31Å; R249-I251 PolarHBondContact O-N 3.04Å; I251-N253 VanDerWaalsContact C-N 3.29Å; I251-N253 PolarHBondContact O-N 2.87Å; I251-Q254 PolarHBondContact O-N 2.89Å; I251-I256 HydrophobicContact CG1-CB 3.99Å; I251-I256 HydrophobicContact CG1-CG2 3.94Å; I251-T258 HydrophobicContact CD1-CG2 4.27Å; I251-T258 HydrophobicContact CG1-CG2 4.24Å; I251-T258 HydrophobicContact CG2-CG2 3.52Å
252	A	95.4	Very high	91	Very high	28 Å²	28	74.3 Å²	74.3	23%	0.231	37%	0.371	C	S	.	.	H	α-helix	trans	-59.4	-40.8	176.5	0	0	0	0	0	112.3	K86 P136 A248 R249 Q254	K86-A252 HydrophobicContact CB-CB 4.33Å; P136-A252 HydrophobicContact CG-CB 4.34Å; A248-A252 PolarHBondContact O-N 3.43Å; R249-A252 PolarHBondContact O-N 3.16Å; A252-Q254 PolarHBondContact O-N 3.46Å
253	N	94.9	Very high	90.1	Very high	104 Å²	104	73.1 Å²	73.1	56%	0.556	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	8.6	177.2	-65.5	-14.9	0	0	0	113.5	R249 I251 S255	R249-N253 WeakPolarHBondContact O-CB 3.48Å; R249-N253 PolarHBondContact O-N 3.28Å; I251-N253 VanDerWaalsContact C-N 3.29Å; I251-N253 PolarHBondContact O-N 2.87Å; N253-S255 PolarHBondContact O-N 3.08Å
254	Q	92	Very high	89.3	Confident	177 Å²	177	79.4 Å²	79.4	83%	0.827	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	17.4	178.8	-53.4	-179.8	0.3	0	0	115.1	G250 I251 A252	G250-Q254 PolarHBondContact O-N 3.4Å; G250-Q254 VanDerWaalsContact O-N 3.17Å; I251-Q254 PolarHBondContact O-N 2.89Å; A252-Q254 PolarHBondContact O-N 3.46Å
255	S	92.4	Very high	88.4	Confident	93 Å²	93	85.2 Å²	85.2	65%	0.65	43%	0.431	S	S	*	.	S	Bend	trans	-81.7	-20.7	174.4	67	0	0	0	0	112.7	G250 N253	G250-S255 VanDerWaalsContact CA-OG 3.22Å; G250-S255 WeakPolarHBondContact CA-OG 3.42Å; G250-S255 PolarHBondContact O-N 3.46Å; G250-S255 PolarHBondContact O-OG 3.42Å; G250-S255 VanDerWaalsContact O-OG 3.08Å; N253-S255 PolarHBondContact O-N 3.08Å
256	I	90.7	Very high	87.5	Confident	45 Å²	45	87.2 Å²	87.2	23%	0.231	44%	0.439	C	S	.	.	S	Bend	trans	-117.5	122.3	174.7	-62	174	0	0	0	109.1	Y247 G250 I251	Y247-I256 HydrophobicContact CD1-CD1 3.8Å; Y247-I256 HydrophobicContact CD1-CG2 4.09Å; Y247-I256 HydrophobicContact CE1-CD1 4.19Å; Y247-I256 HydrophobicContact CE1-CG2 4.33Å; Y247-I256 HydrophobicContact CG-CD1 4.01Å; G250-I256 PolarHBondContact O-N 2.88Å; I251-I256 HydrophobicContact CG1-CB 3.99Å; I251-I256 HydrophobicContact CG1-CG2 3.94Å
257	S	88.4	Confident	86.8	Confident	81 Å²	81	88 Å²	88	57%	0.566	44%	0.441	S	S	*	.			trans	-77.4	135.5	174.8	-171.6	0	0	0	0	111.4	Q259	S257-Q259 VanDerWaalsContact C-N 3.28Å; S257-Q259 PolarHBondContact OG-N 3.25Å
258	T	84.5	Confident	86.2	Confident	54 Å²	54	90 Å²	90	33%	0.331	45%	0.454	S	S	.	.	S	Bend	trans	-77.6	-15.1	169.7	55.5	0	0	0	0	112.3	Q157 H219 I251 Q260	Q157-T258 HydrophobicContact CB-CG2 4.27Å; H219-T258 PolarHBondContact NE2-O 2.86Å; I251-T258 HydrophobicContact CD1-CG2 4.27Å; I251-T258 HydrophobicContact CG1-CG2 4.24Å; I251-T258 HydrophobicContact CG2-CG2 3.52Å; T258-Q260 PolarHBondContact O-N 3.03Å
259	Q	79.2	Confident	85.5	Confident	162 Å²	162	95.1 Å²	95.1	76%	0.757	48%	0.478	S	S	*	.	S	Bend	trans	-80.1	123.5	-179.6	-64.5	-169.7	3.8	0	0	111.1	S257 K261	S257-Q259 VanDerWaalsContact C-N 3.28Å; S257-Q259 PolarHBondContact OG-N 3.25Å; Q259-K261 PolarHBondContact O-N 3.3Å
260	Q	72.6	Confident	84.7	Confident	74 Å²	74	92.5 Å²	92.5	35%	0.346	47%	0.473	S	S	.	.			trans	-73.9	128.2	169.8	-65.6	-174.4	9.4	0	0	110.2	G216 H219 T258 K262	G216-Q260 PolarHBondContact O-NE2 3.28Å; G216-Q260 PolarHBondContact O-OE1 2.96Å; H219-Q260 VanDerWaalsContact CD2-CG 3.48Å; H219-Q260 WeakPolarHBondContact CD2-CG 3.33Å; H219-Q260 PolarHBondContact CD2-NE2 3.35Å; T258-Q260 PolarHBondContact O-N 3.03Å; Q260-K262 PolarHBondContact O-N 3.48Å
261	K	72.3	Confident	84.2	Confident	210 Å²	210	99.5 Å²	99.5	91%	0.913	50%	0.499	S	S	*	.			trans	-64.5	106.8	171.4	-70.1	-175.7	-179.5	179.4	0	109.2	Q259	Q259-K261 PolarHBondContact O-N 3.3Å
262	K	75.1	Confident	83.8	Confident	104 Å²	104	101.7 Å²	101.7	45%	0.452	51%	0.513	S	S	.	.			trans	-69.5	131.6	174.1	-64.3	-173.8	176.4	-174.5	0	110.3	Q260 Q266 K267 D270	Q260-K262 PolarHBondContact O-N 3.48Å; K262-Q266 HydrophobicContact CB-CB 4.2Å; K262-K267 HydrophobicContact CB-CG 3.99Å; K262-D270 VanDerWaalsContact CD-OD2 3.24Å; K262-D270 WeakPolarHBondContact CD-OD2 3.24Å; K262-D270 WeakPolarHBondContact CE-OD2 3.33Å; K262-D270 IonicContact NZ-OD2 3.67Å; K262-D270 PolarHBondContact NZ-OD2 3.11Å
263	S	78.3	Confident	83.3	Confident	57 Å²	57	102 Å²	102	40%	0.399	51%	0.51	S	S	.	.			trans	-62.2	159.2	170.3	65.8	0	0	0	0	111.4	M265 Q266 K267	S263-M265 VanDerWaalsContact C-N 3.26Å; S263-M265 PolarHBondContact O-N 3.3Å; S263-Q266 PolarHBondContact O-N 3.11Å; S263-Q266 VanDerWaalsContact O-N 3.09Å; S263-Q266 WeakPolarHBondContact OG-CG 3.32Å; S263-Q266 PolarHBondContact OG-N 3.27Å; S263-Q266 PolarHBondContact OG-OE1 3.1Å; S263-K267 PolarHBondContact O-N 3.22Å
264	M	80.6	Confident	82.9	Confident	157 Å²	157	100.3 Å²	100.3	77%	0.773	51%	0.506	S	S	*	.	H	α-helix	trans	-56.6	-40.9	177.7	-173.6	176.9	-76.5	0	0	112.1	Q266 K267 I268	M264-Q266 PolarHBondContact O-N 3.18Å; M264-K267 PolarHBondContact O-N 3.28Å; M264-I268 HydrophobicContact CG-CD1 4.22Å; M264-I268 WeakPolarHBondContact O-CG1 3.47Å; M264-I268 PolarHBondContact O-N 3.47Å
265	M	79.5	Confident	82.8	Confident	121 Å²	121	95.7 Å²	95.7	60%	0.596	48%	0.484	S	S	*	.	H	α-helix	trans	-62	-41.6	176.1	-173.6	62.2	72.1	0	0	112.4	S263 I268 Q269	S263-M265 VanDerWaalsContact C-N 3.26Å; S263-M265 PolarHBondContact O-N 3.3Å; M265-I268 PolarHBondContact O-N 3.3Å; M265-Q269 VanDerWaalsContact O-CG 3.31Å; M265-Q269 WeakPolarHBondContact O-CG 3.42Å; M265-Q269 PolarHBondContact O-N 2.81Å
266	Q	78.2	Confident	82.7	Confident	63 Å²	63	96.8 Å²	96.8	29%	0.294	48%	0.478	S	S	.	.	H	α-helix	trans	-65.9	-39.2	176.9	-76.8	164.7	-33.8	0	0	111.9	K262 S263 M264 I268 Q269 D270	K262-Q266 HydrophobicContact CB-CB 4.2Å; S263-Q266 PolarHBondContact O-N 3.11Å; S263-Q266 VanDerWaalsContact O-N 3.09Å; S263-Q266 WeakPolarHBondContact OG-CG 3.32Å; S263-Q266 PolarHBondContact OG-N 3.27Å; S263-Q266 PolarHBondContact OG-OE1 3.1Å; M264-Q266 PolarHBondContact O-N 3.18Å; Q266-I268 VanDerWaalsContact C-N 3.35Å; Q266-I268 PolarHBondContact O-N 2.91Å; Q266-Q269 WeakPolarHBondContact O-CB 3.41Å; Q266-Q269 PolarHBondContact O-N 3.33Å; Q266-D270 PolarHBondContact O-N 3.09Å
267	K	82.9	Confident	82.8	Confident	132 Å²	132	101.4 Å²	101.4	57%	0.574	50%	0.497	S	S	*	.	H	α-helix	trans	-63	-41.6	175.3	-67.3	-177.9	-179.7	-175.6	0	112.1	K262 S263 M264 D270 Y271	K262-K267 HydrophobicContact CB-CG 3.99Å; S263-K267 PolarHBondContact O-N 3.22Å; M264-K267 PolarHBondContact O-N 3.28Å; K267-D270 PolarHBondContact O-N 3.38Å; K267-Y271 WeakPolarHBondContact O-CB 3.38Å; K267-Y271 PolarHBondContact O-N 3.15Å
268	I	85.2	Confident	83	Confident	90 Å²	90	98.8 Å²	98.8	46%	0.462	48%	0.478	S	S	.	.	H	α-helix	trans	-63	-45	174.8	-67.2	166	0	0	0	110.2	M264 M265 Q266 Y271 V272	M264-I268 HydrophobicContact CG-CD1 4.22Å; M264-I268 WeakPolarHBondContact O-CG1 3.47Å; M264-I268 PolarHBondContact O-N 3.47Å; M265-I268 PolarHBondContact O-N 3.3Å; Q266-I268 VanDerWaalsContact C-N 3.35Å; Q266-I268 PolarHBondContact O-N 2.91Å; I268-Y271 PolarHBondContact O-N 3.13Å; I268-V272 HydrophobicContact CG2-CG2 4.38Å; I268-V272 WeakPolarHBondContact O-CB 3.4Å; I268-V272 VanDerWaalsContact O-CG2 3.32Å; I268-V272 WeakPolarHBondContact O-CG2 3.43Å; I268-V272 PolarHBondContact O-N 3.26Å
269	Q	83	Confident	83.4	Confident	107 Å²	107	98.1 Å²	98.1	50%	0.5	47%	0.469	S	S	.	.	H	α-helix	trans	-58.4	-49.7	175.6	-74.9	173.7	-10.1	0	0	111	M265 Q266 Y271 V272 M273	M265-Q269 VanDerWaalsContact O-CG 3.31Å; M265-Q269 WeakPolarHBondContact O-CG 3.42Å; M265-Q269 PolarHBondContact O-N 2.81Å; Q266-Q269 WeakPolarHBondContact O-CB 3.41Å; Q266-Q269 PolarHBondContact O-N 3.33Å; Q269-Y271 VanDerWaalsContact C-N 3.3Å; Q269-Y271 PolarHBondContact O-N 3.3Å; Q269-V272 PolarHBondContact O-N 3.35Å; Q269-M273 WeakPolarHBondContact O-CB 3.27Å; Q269-M273 WeakPolarHBondContact O-CG 3.39Å; Q269-M273 PolarHBondContact O-N 2.87Å
270	D	81.4	Confident	84.1	Confident	64 Å²	64	93.3 Å²	93.3	34%	0.342	45%	0.449	S	S	.	.	H	α-helix	trans	-58.3	-42	178	-67.5	-20.4	0	0	0	112.2	K262 Q266 K267 M273 S274	K262-D270 VanDerWaalsContact CD-OD2 3.24Å; K262-D270 WeakPolarHBondContact CD-OD2 3.24Å; K262-D270 WeakPolarHBondContact CE-OD2 3.33Å; K262-D270 IonicContact NZ-OD2 3.67Å; K262-D270 PolarHBondContact NZ-OD2 3.11Å; Q266-D270 PolarHBondContact O-N 3.09Å; K267-D270 PolarHBondContact O-N 3.38Å; D270-M273 PolarHBondContact O-N 2.86Å; D270-S274 PolarHBondContact O-N 2.99Å; D270-S274 VanDerWaalsContact O-N 3.11Å
271	Y	84.9	Confident	85.2	Confident	152 Å²	152	97.1 Å²	97.1	60%	0.596	46%	0.464	S	S	*	.	H	α-helix	trans	-63	-46.8	175.9	179.1	-103.8	0	0	0	111.8	K267 I268 Q269 M273 S274 F275	K267-Y271 WeakPolarHBondContact O-CB 3.38Å; K267-Y271 PolarHBondContact O-N 3.15Å; I268-Y271 PolarHBondContact O-N 3.13Å; Q269-Y271 VanDerWaalsContact C-N 3.3Å; Q269-Y271 PolarHBondContact O-N 3.3Å; Y271-M273 PolarHBondContact O-N 2.64Å; Y271-S274 VanDerWaalsContact O-CB 3.28Å; Y271-S274 WeakPolarHBondContact O-CB 3.45Å; Y271-S274 PolarHBondContact O-N 2.95Å; Y271-S274 PolarHBondContact O-OG 3.37Å; Y271-F275 HydrophobicContact CD1-CE2 4.21Å; Y271-F275 AromaticContact CE1-CE2 3.75Å; Y271-F275 HydrophobicContact CE1-CE2 3.75Å; Y271-F275 HydrophobicContact CE1-CZ 4.02Å; Y271-F275 AromaticContact CZ-CZ 3.95Å
272	V	87.3	Confident	86.2	Confident	61 Å²	61	88.8 Å²	88.8	37%	0.37	43%	0.429	S	S	.	.	H	α-helix	trans	-61.4	-34	176	169.8	0	0	0	0	111.4	I268 Q269 S274 F275 V278	I268-V272 HydrophobicContact CG2-CG2 4.38Å; I268-V272 WeakPolarHBondContact O-CB 3.4Å; I268-V272 VanDerWaalsContact O-CG2 3.32Å; I268-V272 WeakPolarHBondContact O-CG2 3.43Å; I268-V272 PolarHBondContact O-N 3.26Å; Q269-V272 PolarHBondContact O-N 3.35Å; V272-S274 VanDerWaalsContact C-N 3.26Å; V272-S274 PolarHBondContact O-N 2.94Å; V272-F275 WeakPolarHBondContact O-CD2 2.99Å; V272-F275 PolarHBondContact O-N 2.79Å; V272-V278 HydrophobicContact CG1-CG1 4.01Å; V272-V278 HydrophobicContact CG1-CG2 4.21Å
273	M	86	Confident	87.2	Confident	34 Å²	34	84.3 Å²	84.3	17%	0.167	41%	0.409	C	S	.	.	H	α-helix	trans	-76.3	-11.6	177.9	-63	-70.3	-93.9	0	0	113.4	L194 P195 Q269 D270 Y271 F275 V278 R279 I282	L194-M273 HydrophobicContact CB-CE 3.59Å; L194-M273 HydrophobicContact CD1-CE 3.76Å; L194-M273 HydrophobicContact CG-CE 3.87Å; P195-M273 HydrophobicContact CG-CE 4.17Å; Q269-M273 WeakPolarHBondContact O-CB 3.27Å; Q269-M273 WeakPolarHBondContact O-CG 3.39Å; Q269-M273 PolarHBondContact O-N 2.87Å; D270-M273 PolarHBondContact O-N 2.86Å; Y271-M273 PolarHBondContact O-N 2.64Å; M273-F275 PolarHBondContact O-N 2.91Å; M273-V278 HydrophobicContact SD-CG1 4.23Å; M273-R279 WeakPolarHBondContact O-CD 3.47Å; M273-R279 VanDerWaalsContact O-CG 3.29Å; M273-R279 WeakPolarHBondContact O-CG 3.47Å; M273-R279 PolarHBondContact O-NH1 3.07Å; M273-I282 HydrophobicContact CE-CD1 3.53Å; M273-I282 HydrophobicContact SD-CD1 3.3Å; M273-I282 WeakPolarHBondContact SD-CD1 3.39Å
274	S	85.9	Confident	88.1	Confident	69 Å²	69	88.3 Å²	88.3	48%	0.483	42%	0.42	S	S	.	.	H	α-helix	trans	-70.1	-22.4	172.3	77	0	0	0	0	112.6	D270 Y271 V272 R279	D270-S274 PolarHBondContact O-N 2.99Å; D270-S274 VanDerWaalsContact O-N 3.11Å; Y271-S274 VanDerWaalsContact O-CB 3.28Å; Y271-S274 WeakPolarHBondContact O-CB 3.45Å; Y271-S274 PolarHBondContact O-N 2.95Å; Y271-S274 PolarHBondContact O-OG 3.37Å; V272-S274 VanDerWaalsContact C-N 3.26Å; V272-S274 PolarHBondContact O-N 2.94Å; S274-R279 PolarHBondContact O-NH1 3.41Å
275	F	90.3	Very high	88.9	Confident	80 Å²	80	84.9 Å²	84.9	35%	0.351	41%	0.408	S	S	.	.	S	Bend	trans	-78.5	123.2	175.6	-62.7	-74.9	0	0	0	112	Y271 V272 M273 F277 V278 R279	Y271-F275 HydrophobicContact CD1-CE2 4.21Å; Y271-F275 AromaticContact CE1-CE2 3.75Å; Y271-F275 HydrophobicContact CE1-CE2 3.75Å; Y271-F275 HydrophobicContact CE1-CZ 4.02Å; Y271-F275 AromaticContact CZ-CZ 3.95Å; V272-F275 WeakPolarHBondContact O-CD2 2.99Å; V272-F275 PolarHBondContact O-N 2.79Å; M273-F275 PolarHBondContact O-N 2.91Å; F275-F277 HydrophobicContact CB-CD1 3.77Å; F275-F277 HydrophobicContact CB-CE1 3.46Å; F275-F277 VanDerWaalsContact CB-CE1 3.46Å; F275-F277 HydrophobicContact CB-CZ 4.18Å; F275-F277 AromaticContact CD1-CE1 3.98Å; F275-F277 HydrophobicContact CD1-CE1 3.98Å; F275-F277 HydrophobicContact CG-CD1 4.48Å; F275-F277 AromaticContact CG-CE1 3.78Å; F275-F277 HydrophobicContact CG-CE1 3.78Å; F275-F277 HydrophobicContact CG-CZ 4.44Å; F275-F277 PolarHBondContact O-N 2.83Å; F275-V278 HydrophobicContact CB-CB 4.43Å; F275-V278 HydrophobicContact CB-CG2 3.92Å; F275-V278 WeakPolarHBondContact O-CB 3.49Å; F275-V278 PolarHBondContact O-N 2.99Å; F275-V278 VanDerWaalsContact O-N 3.14Å; F275-R279 PolarHBondContact O-N 3.08Å
276	E	90.8	Very high	89.7	Confident	115 Å²	115	80.3 Å²	80.3	54%	0.537	39%	0.386	S	S	.	.	H	α-helix	trans	-59	-42.6	-177.8	-164.3	-162.1	141.8	0	0	112.9	V278 R279 N280	E276-V278 PolarHBondContact O-N 3.44Å; E276-R279 PolarHBondContact O-N 2.95Å; E276-R279 VanDerWaalsContact O-N 3.1Å; E276-N280 WeakPolarHBondContact O-CB 3.45Å; E276-N280 PolarHBondContact O-N 3.35Å; E276-N280 PolarHBondContact OE1-ND2 3.17Å
277	F	93	Very high	90.6	Very high	142 Å²	142	81 Å²	81	62%	0.623	39%	0.39	S	S	*	.	H	α-helix	trans	-60.2	-31.6	179.5	76.2	-93.5	0	0	0	112.7	F275 K281	F275-F277 HydrophobicContact CB-CD1 3.77Å; F275-F277 HydrophobicContact CB-CE1 3.46Å; F275-F277 VanDerWaalsContact CB-CE1 3.46Å; F275-F277 HydrophobicContact CB-CZ 4.18Å; F275-F277 AromaticContact CD1-CE1 3.98Å; F275-F277 HydrophobicContact CD1-CE1 3.98Å; F275-F277 HydrophobicContact CG-CD1 4.48Å; F275-F277 AromaticContact CG-CE1 3.78Å; F275-F277 HydrophobicContact CG-CE1 3.78Å; F275-F277 HydrophobicContact CG-CZ 4.44Å; F275-F277 PolarHBondContact O-N 2.83Å; F277-K281 WeakPolarHBondContact O-CB 3.23Å; F277-K281 PolarHBondContact O-N 2.87Å; F277-K281 VanDerWaalsContact O-N 3.09Å
278	V	92.4	Very high	91.3	Very high	27 Å²	27	78.7 Å²	78.7	16%	0.164	38%	0.383	C	S	.	.	H	α-helix	trans	-70.3	-47.4	176.3	178.7	0	0	0	0	109.9	V272 M273 F275 E276 N280 K281 I282	V272-V278 HydrophobicContact CG1-CG1 4.01Å; V272-V278 HydrophobicContact CG1-CG2 4.21Å; M273-V278 HydrophobicContact SD-CG1 4.23Å; F275-V278 HydrophobicContact CB-CB 4.43Å; F275-V278 HydrophobicContact CB-CG2 3.92Å; F275-V278 WeakPolarHBondContact O-CB 3.49Å; F275-V278 PolarHBondContact O-N 2.99Å; F275-V278 VanDerWaalsContact O-N 3.14Å; E276-V278 PolarHBondContact O-N 3.44Å; V278-N280 VanDerWaalsContact C-N 3.34Å; V278-N280 PolarHBondContact O-N 3.04Å; V278-K281 PolarHBondContact O-N 3.15Å; V278-I282 HydrophobicContact CG1-CD1 4.19Å; V278-I282 WeakPolarHBondContact O-CG1 3.48Å; V278-I282 PolarHBondContact O-N 3.34Å
279	R	93.4	Very high	91.8	Very high	39 Å²	39	80.5 Å²	80.5	15%	0.147	39%	0.388	C	S	.	.	H	α-helix	trans	-59.3	-45.9	176.7	-64.2	-165.2	-61.7	-87	2.8	111.1	L194 M273 S274 F275 E276 K281 I282 Y283 E313	L194-R279 HydrophobicContact CD1-CB 4.4Å; L194-R279 HydrophobicContact CD1-CG 4.09Å; M273-R279 WeakPolarHBondContact O-CD 3.47Å; M273-R279 VanDerWaalsContact O-CG 3.29Å; M273-R279 WeakPolarHBondContact O-CG 3.47Å; M273-R279 PolarHBondContact O-NH1 3.07Å; S274-R279 PolarHBondContact O-NH1 3.41Å; F275-R279 PolarHBondContact O-N 3.08Å; E276-R279 PolarHBondContact O-N 2.95Å; E276-R279 VanDerWaalsContact O-N 3.1Å; R279-K281 VanDerWaalsContact C-N 3.31Å; R279-K281 PolarHBondContact O-N 3.5Å; R279-I282 WeakPolarHBondContact O-CA 3.49Å; R279-I282 WeakPolarHBondContact O-CB 3.08Å; R279-I282 PolarHBondContact O-N 2.86Å; R279-Y283 HydrophobicContact CB-CE2 3.78Å; R279-Y283 WeakPolarHBondContact O-CD2 3.44Å; R279-Y283 VanDerWaalsContact O-CG 3.3Å; R279-Y283 PolarHBondContact O-N 3.27Å; R279-E313 WeakPolarHBondContact CD-OE1 3.31Å; R279-E313 IonicContact CZ-OE1 3.62Å; R279-E313 IonicContact CZ-OE2 2.78Å; R279-E313 IonicContact NE-OE1 2.86Å; R279-E313 PolarHBondContact NE-OE1 3.39Å; R279-E313 IonicContact NE-OE2 3.59Å; R279-E313 PolarHBondContact NE-OE2 3.45Å; R279-E313 IonicContact NH2-OE1 3.88Å; R279-E313 IonicContact NH2-OE2 2.76Å; R279-E313 PolarHBondContact NH2-OE2 3.33Å
280	N	93.4	Very high	92.4	Very high	62 Å²	62	76 Å²	76	33%	0.332	37%	0.368	S	S	.	.	H	α-helix	trans	-57.7	-41	175.8	-75.8	-26.9	0	0	0	112.8	E276 V278 Y283 K284	E276-N280 WeakPolarHBondContact O-CB 3.45Å; E276-N280 PolarHBondContact O-N 3.35Å; E276-N280 PolarHBondContact OE1-ND2 3.17Å; V278-N280 VanDerWaalsContact C-N 3.34Å; V278-N280 PolarHBondContact O-N 3.04Å; N280-Y283 PolarHBondContact O-N 3.34Å; N280-K284 WeakPolarHBondContact O-CB 3.38Å; N280-K284 PolarHBondContact O-N 3.39Å
281	K	94.9	Very high	93.1	Very high	154 Å²	154	76.5 Å²	76.5	67%	0.67	37%	0.369	S	S	*	.	H	α-helix	trans	-65.3	-37.8	174.3	-172.1	172.2	-177	174.9	0	112.4	F277 V278 R279 T285	F277-K281 WeakPolarHBondContact O-CB 3.23Å; F277-K281 PolarHBondContact O-N 2.87Å; F277-K281 VanDerWaalsContact O-N 3.09Å; V278-K281 PolarHBondContact O-N 3.15Å; R279-K281 VanDerWaalsContact C-N 3.31Å; R279-K281 PolarHBondContact O-N 3.5Å; K281-T285 WeakPolarHBondContact O-CB 3.5Å; K281-T285 PolarHBondContact O-N 3.31Å; K281-T285 PolarHBondContact O-OG1 3.28Å
282	I	94.1	Very high	93.5	Very high	34 Å²	34	77.1 Å²	77.1	17%	0.174	38%	0.375	C	S	.	.	H	α-helix	trans	-65.9	-49.7	176	-69.3	172.2	0	0	0	110.3	F198 M273 V278 R279 K284 T285 V286	F198-I282 HydrophobicContact CD2-CG2 4.47Å; F198-I282 HydrophobicContact CE2-CG2 4.38Å; M273-I282 HydrophobicContact CE-CD1 3.53Å; M273-I282 HydrophobicContact SD-CD1 3.3Å; M273-I282 WeakPolarHBondContact SD-CD1 3.39Å; V278-I282 HydrophobicContact CG1-CD1 4.19Å; V278-I282 WeakPolarHBondContact O-CG1 3.48Å; V278-I282 PolarHBondContact O-N 3.34Å; R279-I282 WeakPolarHBondContact O-CA 3.49Å; R279-I282 WeakPolarHBondContact O-CB 3.08Å; R279-I282 PolarHBondContact O-N 2.86Å; I282-K284 VanDerWaalsContact C-N 3.3Å; I282-K284 PolarHBondContact O-N 3.48Å; I282-T285 PolarHBondContact O-N 3.41Å; I282-T285 VanDerWaalsContact O-N 3.16Å; I282-V286 HydrophobicContact CG2-CG2 4.15Å; I282-V286 WeakPolarHBondContact O-CB 3.16Å; I282-V286 VanDerWaalsContact O-CG2 3.29Å; I282-V286 WeakPolarHBondContact O-CG2 3.35Å; I282-V286 PolarHBondContact O-N 2.84Å
283	Y	96.1	Very high	93.7	Very high	11 Å²	11	81 Å²	81	4%	0.043	39%	0.389	C	S	.	.	H	α-helix	trans	-56	-46.8	177.6	-57	-42.2	0	0	0	111.1	L194 F198 R279 N280 T285 V286 H287 K309 V312 E313	L194-Y283 HydrophobicContact CD1-CE1 3.78Å; L194-Y283 HydrophobicContact CD2-CE1 4.14Å; F198-Y283 AromaticContact CE2-CD1 3.85Å; F198-Y283 HydrophobicContact CE2-CD1 3.85Å; F198-Y283 AromaticContact CE2-CE1 3.98Å; F198-Y283 HydrophobicContact CE2-CE1 3.98Å; F198-Y283 AromaticContact CZ-CD1 3.84Å; F198-Y283 HydrophobicContact CZ-CD1 3.84Å; F198-Y283 AromaticContact CZ-CE1 3.93Å; F198-Y283 HydrophobicContact CZ-CE1 3.93Å; R279-Y283 HydrophobicContact CB-CE2 3.78Å; R279-Y283 WeakPolarHBondContact O-CD2 3.44Å; R279-Y283 VanDerWaalsContact O-CG 3.3Å; R279-Y283 PolarHBondContact O-N 3.27Å; N280-Y283 PolarHBondContact O-N 3.34Å; Y283-T285 PolarHBondContact O-N 2.97Å; Y283-V286 PolarHBondContact O-N 3.22Å; Y283-H287 WeakPolarHBondContact O-CB 3.39Å; Y283-H287 PolarHBondContact O-N 2.92Å; Y283-K309 HydrophobicContact CD2-CD 4.12Å; Y283-K309 HydrophobicContact CD2-CG 4.08Å; Y283-K309 HydrophobicContact CE1-CB 4.45Å; Y283-K309 HydrophobicContact CE2-CB 4.44Å; Y283-K309 HydrophobicContact CE2-CD 4.39Å; Y283-K309 HydrophobicContact CE2-CG 3.87Å; Y283-V312 WeakPolarHBondContact OH-CG1 3.43Å; Y283-E313 HydrophobicContact CE2-CG 4.27Å; Y283-E313 VanDerWaalsContact CE2-OE1 3.27Å; Y283-E313 WeakPolarHBondContact CE2-OE1 3.45Å; Y283-E313 PolarHBondContact OH-OE1 3.07Å
284	K	96.5	Very high	94	Very high	141 Å²	141	80.1 Å²	80.1	61%	0.613	39%	0.386	S	S	*	.	H	α-helix	trans	-60.3	-47.2	176.3	-175.6	173.2	-179.3	174.5	0	112.2	N280 I282 V286 H287 D288	N280-K284 WeakPolarHBondContact O-CB 3.38Å; N280-K284 PolarHBondContact O-N 3.39Å; I282-K284 VanDerWaalsContact C-N 3.3Å; I282-K284 PolarHBondContact O-N 3.48Å; K284-V286 VanDerWaalsContact C-N 3.34Å; K284-V286 PolarHBondContact O-N 3.44Å; K284-H287 PolarHBondContact O-N 3.44Å; K284-D288 WeakPolarHBondContact O-CB 3.41Å; K284-D288 PolarHBondContact O-N 3.01Å
285	T	96.7	Very high	94.4	Very high	85 Å²	85	81.8 Å²	81.8	52%	0.521	38%	0.384	S	S	.	.	H	α-helix	trans	-63	-41.8	-179.8	-56.6	0	0	0	0	111.9	K281 I282 Y283 K289	K281-T285 WeakPolarHBondContact O-CB 3.5Å; K281-T285 PolarHBondContact O-N 3.31Å; K281-T285 PolarHBondContact O-OG1 3.28Å; I282-T285 PolarHBondContact O-N 3.41Å; I282-T285 VanDerWaalsContact O-N 3.16Å; Y283-T285 PolarHBondContact O-N 2.97Å; T285-K289 VanDerWaalsContact O-CB 3.29Å; T285-K289 WeakPolarHBondContact O-CB 3.36Å; T285-K289 PolarHBondContact O-N 2.75Å; T285-K289 VanDerWaalsContact O-N 3.1Å
286	V	96.5	Very high	94.6	Very high	25 Å²	25	79.6 Å²	79.6	15%	0.152	39%	0.385	C	S	.	.	H	α-helix	trans	-67.2	-46.3	177.3	173.9	0	0	0	0	110	F198 L202 I282 Y283 K284 K289 V290 I305	F198-V286 HydrophobicContact CB-CG1 4.46Å; F198-V286 HydrophobicContact CD1-CG1 4.47Å; F198-V286 HydrophobicContact CD2-CG1 4.41Å; F198-V286 HydrophobicContact CD2-CG2 4.03Å; F198-V286 HydrophobicContact CG-CG1 4.22Å; F198-V286 HydrophobicContact CG-CG2 4.48Å; L202-V286 HydrophobicContact CD1-CG1 3.38Å; I282-V286 HydrophobicContact CG2-CG2 4.15Å; I282-V286 WeakPolarHBondContact O-CB 3.16Å; I282-V286 VanDerWaalsContact O-CG2 3.29Å; I282-V286 WeakPolarHBondContact O-CG2 3.35Å; I282-V286 PolarHBondContact O-N 2.84Å; Y283-V286 PolarHBondContact O-N 3.22Å; K284-V286 VanDerWaalsContact C-N 3.34Å; K284-V286 PolarHBondContact O-N 3.44Å; V286-K289 PolarHBondContact O-N 3.14Å; V286-V290 HydrophobicContact CG1-CG2 4.43Å; V286-V290 WeakPolarHBondContact O-CB 3.25Å; V286-V290 WeakPolarHBondContact O-CG2 3.11Å; V286-V290 PolarHBondContact O-N 3.24Å; V286-I305 HydrophobicContact CG1-CD1 3.83Å; V286-I305 HydrophobicContact CG1-CG1 4.02Å
287	H	97.4	Very high	94.9	Very high	78 Å²	78	76.5 Å²	76.5	36%	0.361	37%	0.371	S	S	.	.	H	α-helix	trans	-57.4	-52.3	176.1	177.9	-83.1	0	0	0	111.9	Y283 K284 K289 V290 M291 I305	Y283-H287 WeakPolarHBondContact O-CB 3.39Å; Y283-H287 PolarHBondContact O-N 2.92Å; K284-H287 PolarHBondContact O-N 3.44Å; H287-K289 VanDerWaalsContact C-N 3.26Å; H287-K289 PolarHBondContact O-N 3.46Å; H287-V290 PolarHBondContact O-N 2.88Å; H287-V290 VanDerWaalsContact O-N 3.1Å; H287-M291 VanDerWaalsContact CE1-CG 3.49Å; H287-M291 WeakPolarHBondContact CE1-CG 3.25Å; H287-M291 WeakPolarHBondContact O-CG 3.45Å; H287-M291 PolarHBondContact O-N 2.87Å; H287-I305 HydrophobicContact CB-CD1 4.23Å
288	D	97.4	Very high	95.1	Very high	83 Å²	83	72.1 Å²	72.1	44%	0.444	35%	0.351	S	S	.	.	H	α-helix	trans	-60.8	-37.7	-179.7	-67	-13	0	0	0	111.4	K284 K292	K284-D288 WeakPolarHBondContact O-CB 3.41Å; K284-D288 PolarHBondContact O-N 3.01Å; D288-K292 VanDerWaalsContact O-CB 3.27Å; D288-K292 WeakPolarHBondContact O-CB 3.44Å; D288-K292 PolarHBondContact O-N 3.33Å
289	K	96.3	Very high	95.3	Very high	127 Å²	127	72.6 Å²	72.6	55%	0.552	36%	0.355	S	S	*	.	H	α-helix	trans	-67	-44.8	174.7	-175.1	178.5	177.2	-173.5	0	111.8	T285 V286 H287 K292 Q293	T285-K289 VanDerWaalsContact O-CB 3.29Å; T285-K289 WeakPolarHBondContact O-CB 3.36Å; T285-K289 PolarHBondContact O-N 2.75Å; T285-K289 VanDerWaalsContact O-N 3.1Å; V286-K289 PolarHBondContact O-N 3.14Å; H287-K289 VanDerWaalsContact C-N 3.26Å; H287-K289 PolarHBondContact O-N 3.46Å; K289-K292 PolarHBondContact O-N 3.13Å; K289-Q293 WeakPolarHBondContact O-CB 3.34Å; K289-Q293 VanDerWaalsContact O-CG 3.32Å; K289-Q293 WeakPolarHBondContact O-CG 3.5Å; K289-Q293 PolarHBondContact O-N 3.01Å
290	V	95.5	Very high	95.6	Very high	14 Å²	14	70.8 Å²	70.8	9%	0.085	35%	0.348	C	S	.	.	H	α-helix	trans	-62	-48.8	176.6	166.2	0	0	0	0	110.2	L202 V286 H287 K292 Q293 S294 P301 L302 I305	L202-V290 HydrophobicContact CD1-CG2 3.98Å; L202-V290 HydrophobicContact CD2-CG2 4.44Å; V286-V290 HydrophobicContact CG1-CG2 4.43Å; V286-V290 WeakPolarHBondContact O-CB 3.25Å; V286-V290 WeakPolarHBondContact O-CG2 3.11Å; V286-V290 PolarHBondContact O-N 3.24Å; H287-V290 PolarHBondContact O-N 2.88Å; H287-V290 VanDerWaalsContact O-N 3.1Å; V290-K292 VanDerWaalsContact C-N 3.31Å; V290-K292 PolarHBondContact O-N 3.36Å; V290-Q293 PolarHBondContact O-N 3.48Å; V290-S294 VanDerWaalsContact O-CB 3.24Å; V290-S294 WeakPolarHBondContact O-CB 3.29Å; V290-S294 PolarHBondContact O-N 2.9Å; V290-S294 PolarHBondContact O-OG 3.38Å; V290-P301 HydrophobicContact CG1-CB 3.48Å; V290-P301 VanDerWaalsContact CG1-CB 3.48Å; V290-P301 HydrophobicContact CG2-CB 4.44Å; V290-L302 HydrophobicContact CG1-CD2 3.75Å; V290-L302 HydrophobicContact CG1-CG 4.31Å; V290-I305 HydrophobicContact CB-CD1 4.38Å; V290-I305 HydrophobicContact CG2-CD1 4.14Å
291	M	96.1	Very high	95.8	Very high	73 Å²	73	68.6 Å²	68.6	36%	0.36	34%	0.337	S	S	.	.	H	α-helix	trans	-57.5	-43.8	176.6	-75.5	-59.9	-69.8	0	0	111.9	H287 Q293 K295 L302	H287-M291 VanDerWaalsContact CE1-CG 3.49Å; H287-M291 WeakPolarHBondContact CE1-CG 3.25Å; H287-M291 WeakPolarHBondContact O-CG 3.45Å; H287-M291 PolarHBondContact O-N 2.87Å; M291-Q293 PolarHBondContact O-N 3.16Å; M291-K295 WeakPolarHBondContact O-CA 3.39Å; M291-K295 PolarHBondContact O-N 3.19Å; M291-L302 HydrophobicContact CG-CD2 4.23Å; M291-L302 HydrophobicContact SD-CD1 3.92Å; M291-L302 HydrophobicContact SD-CD2 3.87Å; M291-L302 HydrophobicContact SD-CG 4.5Å
292	K	93.6	Very high	95.9	Very high	166 Å²	166	63.4 Å²	63.4	72%	0.722	32%	0.317	S	S	*	.	H	α-helix	trans	-64.4	-39.9	178	-175.6	175	-179	173.5	0	113.1	D288 K289 V290	D288-K292 VanDerWaalsContact O-CB 3.27Å; D288-K292 WeakPolarHBondContact O-CB 3.44Å; D288-K292 PolarHBondContact O-N 3.33Å; K289-K292 PolarHBondContact O-N 3.13Å; V290-K292 VanDerWaalsContact C-N 3.31Å; V290-K292 PolarHBondContact O-N 3.36Å
293	Q	90.9	Very high	96.1	Very high	143 Å²	143	64.2 Å²	64.2	67%	0.668	32%	0.319	S	S	*	.	H	α-helix	trans	-83.2	-38.6	-175.8	-71.2	-174.9	-36.9	0	0	113.2	K289 V290 M291	K289-Q293 WeakPolarHBondContact O-CB 3.34Å; K289-Q293 VanDerWaalsContact O-CG 3.32Å; K289-Q293 WeakPolarHBondContact O-CG 3.5Å; K289-Q293 PolarHBondContact O-N 3.01Å; V290-Q293 PolarHBondContact O-N 3.48Å; M291-Q293 PolarHBondContact O-N 3.16Å
294	S	92.3	Very high	96.3	Very high	14 Å²	14	63.7 Å²	63.7	10%	0.098	32%	0.317	C	S	.	.	H	α-helix	trans	-89.4	-13.6	-179.1	68.5	0	0	0	0	113.5	V290 G296 L297	V290-S294 VanDerWaalsContact O-CB 3.24Å; V290-S294 WeakPolarHBondContact O-CB 3.29Å; V290-S294 PolarHBondContact O-N 2.9Å; V290-S294 PolarHBondContact O-OG 3.38Å; S294-G296 PolarHBondContact O-N 3.43Å; S294-G296 VanDerWaalsContact O-N 3.11Å; S294-G296 PolarHBondContact OG-N 2.92Å; S294-L297 PolarHBondContact O-N 2.96Å; S294-L297 VanDerWaalsContact O-N 3.12Å
295	K	94.4	Very high	96.3	Very high	104 Å²	104	57.5 Å²	57.5	45%	0.452	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	16.4	-171.4	-54.9	-65.5	-172.7	166.5	0	113.9	M291 L297	M291-K295 WeakPolarHBondContact O-CA 3.39Å; M291-K295 PolarHBondContact O-N 3.19Å; K295-L297 HydrophobicContact CB-CD1 4.22Å; K295-L297 HydrophobicContact CB-CG 4.23Å; K295-L297 PolarHBondContact O-N 3.4Å
296	G	94.3	Very high	96.4	Very high	35 Å²	35	57.2 Å²	57.2	36%	0.361	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	6.5	-175.8	0	0	0	0	0	114.3	S294 Y298	S294-G296 PolarHBondContact O-N 3.43Å; S294-G296 VanDerWaalsContact O-N 3.11Å; S294-G296 PolarHBondContact OG-N 2.92Å; G296-Y298 VanDerWaalsContact C-N 3.32Å
297	L	96.7	Very high	96.5	Very high	49 Å²	49	56 Å²	56	26%	0.257	28%	0.276	S	S	.	.			trans	-84.6	-5.8	-177	-60.1	172	0	0	0	113.7	S294 K295	S294-L297 PolarHBondContact O-N 2.96Å; S294-L297 VanDerWaalsContact O-N 3.12Å; K295-L297 HydrophobicContact CB-CD1 4.22Å; K295-L297 HydrophobicContact CB-CG 4.23Å; K295-L297 PolarHBondContact O-N 3.4Å
298	Y	97.5	Very high	96.5	Very high	51 Å²	51	52.3 Å²	52.3	20%	0.2	26%	0.259	C	S	.	.			trans	-121.3	109	-176.1	-63	-94.4	0	0	0	108.9	G296 P301 L339 P712 C713	G296-Y298 VanDerWaalsContact C-N 3.32Å; Y298-P301 WeakPolarHBondContact O-CD 3.4Å; Y298-L339 HydrophobicContact CD1-CD1 4.33Å; Y298-L339 HydrophobicContact CE1-CD1 4.41Å; Y298-P712 WeakPolarHBondContact OH-CD 3.49Å; Y298-C713 HydrophobicContact CD1-CB 4.28Å; Y298-C713 HydrophobicContact CE1-CB 3.73Å; Y298-C713 HydrophobicContact CE2-CB 4.4Å; Y298-C713 PolarHBondContact OH-N 2.9Å
299	P	97.8	Very high	96.5	Very high	36 Å²	36	52.8 Å²	52.8	23%	0.234	26%	0.257	C	S	.	.	H	α-helix	trans	-72.6	-36	-174.7	25.5	-32.8	0	0	0	113.1	L302 K303 L330 T333	P299-L302 PolarHBondContact O-N 2.9Å; P299-L302 VanDerWaalsContact O-N 3.08Å; P299-K303 PolarHBondContact O-N 3.01Å; P299-L330 HydrophobicContact CB-CD2 3.82Å; P299-L330 HydrophobicContact CG-CD2 3.87Å; P299-T333 HydrophobicContact CG-CG2 4.38Å
300	A	98.3	Very high	96.5	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.008	24%	0.236	C	C	.	.	H	α-helix	trans	-53.7	-50.6	-176.3	0	0	0	0	0	114.6	G177 L178 L302 K303 I304 L330	G177-A300 VanDerWaalsContact C-CB 3.44Å; G177-A300 WeakPolarHBondContact O-CB 3.49Å; L178-A300 WeakPolarHBondContact O-CB 3.32Å; A300-L302 PolarHBondContact O-N 2.81Å; A300-K303 PolarHBondContact O-N 3.2Å; A300-K303 VanDerWaalsContact O-N 3.16Å; A300-I304 VanDerWaalsContact O-CG1 3.31Å; A300-I304 WeakPolarHBondContact O-CG1 3.23Å; A300-I304 PolarHBondContact O-N 3.05Å; A300-L330 HydrophobicContact CB-CD1 4.02Å; A300-L330 HydrophobicContact CB-CD2 4.05Å
301	P	98.2	Very high	96.6	Very high	16 Å²	16	47.3 Å²	47.3	10%	0.104	24%	0.236	C	C	.	.	H	α-helix	trans	-53.6	-37.7	175.8	-30.2	35.7	0	0	0	114.6	V174 L202 V290 Y298 I305	V174-P301 HydrophobicContact CG2-CG 3.78Å; L202-P301 HydrophobicContact CD2-CB 4.05Å; L202-P301 VanDerWaalsContact CD2-O 3.23Å; L202-P301 WeakPolarHBondContact CD2-O 3.17Å; V290-P301 HydrophobicContact CG1-CB 3.48Å; V290-P301 VanDerWaalsContact CG1-CB 3.48Å; V290-P301 HydrophobicContact CG2-CB 4.44Å; Y298-P301 WeakPolarHBondContact O-CD 3.4Å; P301-I305 WeakPolarHBondContact O-CG1 3.22Å; P301-I305 PolarHBondContact O-N 3.4Å
302	L	98.2	Very high	96.5	Very high	46 Å²	46	46.5 Å²	46.5	24%	0.241	24%	0.235	C	C	.	.	H	α-helix	trans	-73.5	-42.8	179	-61.5	174.3	0	0	0	110.9	V290 M291 P299 A300 I304 I305 E306	V290-L302 HydrophobicContact CG1-CD2 3.75Å; V290-L302 HydrophobicContact CG1-CG 4.31Å; M291-L302 HydrophobicContact CG-CD2 4.23Å; M291-L302 HydrophobicContact SD-CD1 3.92Å; M291-L302 HydrophobicContact SD-CD2 3.87Å; M291-L302 HydrophobicContact SD-CG 4.5Å; P299-L302 PolarHBondContact O-N 2.9Å; P299-L302 VanDerWaalsContact O-N 3.08Å; A300-L302 PolarHBondContact O-N 2.81Å; L302-I304 VanDerWaalsContact C-N 3.31Å; L302-I304 PolarHBondContact O-N 3.28Å; L302-I305 WeakPolarHBondContact O-CB 3.45Å; L302-I305 PolarHBondContact O-N 3.5Å; L302-I305 VanDerWaalsContact O-N 3.12Å; L302-E306 PolarHBondContact O-N 3.23Å; L302-E306 VanDerWaalsContact O-N 3.1Å
303	K	98.5	Very high	96.5	Very high	50 Å²	50	41.5 Å²	41.5	22%	0.217	21%	0.214	C	C	.	.	H	α-helix	trans	-64.7	-31.4	175.8	-70.3	-54.2	-162.9	163.1	0	113.5	L179 P299 A300 I305 E306 C307 N326 L330	L179-K303 HydrophobicContact CD2-CB 4.1Å; P299-K303 PolarHBondContact O-N 3.01Å; A300-K303 PolarHBondContact O-N 3.2Å; A300-K303 VanDerWaalsContact O-N 3.16Å; K303-I305 VanDerWaalsContact C-N 3.34Å; K303-E306 WeakPolarHBondContact CD-OE2 3.33Å; K303-E306 WeakPolarHBondContact CE-OE2 3.38Å; K303-E306 IonicContact NZ-OE1 3.99Å; K303-E306 PolarHBondContact NZ-OE1 2.85Å; K303-E306 IonicContact NZ-OE2 2.79Å; K303-E306 PolarHBondContact NZ-OE2 2.91Å; K303-E306 WeakPolarHBondContact O-CB 3.37Å; K303-E306 PolarHBondContact O-N 2.81Å; K303-C307 PolarHBondContact O-N 3.23Å; K303-C307 PolarHBondContact O-SG 2.99Å; K303-N326 HydrophobicContact CB-CB 4.43Å; K303-N326 WeakPolarHBondContact CD-OD1 3.4Å; K303-N326 VanDerWaalsContact CE-OD1 3.29Å; K303-N326 WeakPolarHBondContact CE-OD1 3.44Å; K303-N326 PolarHBondContact NZ-OD1 3.22Å; K303-L330 HydrophobicContact CB-CD1 3.92Å; K303-L330 HydrophobicContact CB-CD2 4.49Å; K303-L330 HydrophobicContact CB-CG 4.46Å; K303-L330 HydrophobicContact CG-CD1 4.34Å; K303-L330 HydrophobicContact CG-CD2 4.13Å; K303-L330 HydrophobicContact CG-CG 4.34Å
304	I	98.6	Very high	96.8	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.3	-43.6	171	-71.8	164.4	0	0	0	110.7	V174 L179 M201 L202 A300 L302 E306 C307 V308	V174-I304 HydrophobicContact CB-CD1 3.98Å; V174-I304 HydrophobicContact CG2-CD1 4.03Å; L179-I304 HydrophobicContact CB-CD1 4.11Å; L179-I304 HydrophobicContact CB-CG1 3.47Å; L179-I304 VanDerWaalsContact CB-CG1 3.47Å; L179-I304 HydrophobicContact CD2-CG1 4.45Å; M201-I304 HydrophobicContact CB-CG2 3.88Å; M201-I304 HydrophobicContact CE-CG2 4.33Å; M201-I304 WeakPolarHBondContact O-CD1 3.27Å; L202-I304 HydrophobicContact CD2-CB 3.83Å; L202-I304 HydrophobicContact CD2-CD1 4.12Å; L202-I304 HydrophobicContact CD2-CG2 3.7Å; L202-I304 HydrophobicContact CG-CG2 4.27Å; A300-I304 VanDerWaalsContact O-CG1 3.31Å; A300-I304 WeakPolarHBondContact O-CG1 3.23Å; A300-I304 PolarHBondContact O-N 3.05Å; L302-I304 VanDerWaalsContact C-N 3.31Å; L302-I304 PolarHBondContact O-N 3.28Å; I304-E306 VanDerWaalsContact C-N 3.32Å; I304-E306 PolarHBondContact O-N 3.38Å; I304-C307 PolarHBondContact O-N 3.42Å; I304-V308 VanDerWaalsContact O-CG2 3.28Å; I304-V308 WeakPolarHBondContact O-CG2 3.36Å; I304-V308 PolarHBondContact O-N 3.35Å; I304-V308 VanDerWaalsContact O-N 3.12Å
305	I	98.2	Very high	96.9	Very high	11 Å²	11	41.3 Å²	41.3	6%	0.056	22%	0.218	C	C	.	.	H	α-helix	trans	-63.2	-42.9	178	-60.4	165.1	0	0	0	110.3	F198 L202 V286 H287 V290 P301 L302 K303 K309	F198-I305 HydrophobicContact CE1-CB 4.45Å; F198-I305 HydrophobicContact CE1-CG1 4.21Å; F198-I305 HydrophobicContact CZ-CG2 4.5Å; L202-I305 HydrophobicContact CD1-CG1 4.46Å; L202-I305 HydrophobicContact CD2-CG1 4.4Å; V286-I305 HydrophobicContact CG1-CD1 3.83Å; V286-I305 HydrophobicContact CG1-CG1 4.02Å; H287-I305 HydrophobicContact CB-CD1 4.23Å; V290-I305 HydrophobicContact CB-CD1 4.38Å; V290-I305 HydrophobicContact CG2-CD1 4.14Å; P301-I305 WeakPolarHBondContact O-CG1 3.22Å; P301-I305 PolarHBondContact O-N 3.4Å; L302-I305 WeakPolarHBondContact O-CB 3.45Å; L302-I305 PolarHBondContact O-N 3.5Å; L302-I305 VanDerWaalsContact O-N 3.12Å; K303-I305 VanDerWaalsContact C-N 3.34Å; I305-K309 VanDerWaalsContact O-CB 3.28Å; I305-K309 WeakPolarHBondContact O-CB 3.47Å; I305-K309 PolarHBondContact O-N 2.88Å
306	E	97.8	Very high	96.7	Very high	80 Å²	80	40.6 Å²	40.6	37%	0.374	22%	0.223	S	C	.	.	H	α-helix	trans	-58.7	-53.2	176.1	-170.3	-172.9	134.7	0	0	111.7	L302 K303 I304 V308 K309 S310 N326	L302-E306 PolarHBondContact O-N 3.23Å; L302-E306 VanDerWaalsContact O-N 3.1Å; K303-E306 WeakPolarHBondContact CD-OE2 3.33Å; K303-E306 WeakPolarHBondContact CE-OE2 3.38Å; K303-E306 IonicContact NZ-OE1 3.99Å; K303-E306 PolarHBondContact NZ-OE1 2.85Å; K303-E306 IonicContact NZ-OE2 2.79Å; K303-E306 PolarHBondContact NZ-OE2 2.91Å; K303-E306 WeakPolarHBondContact O-CB 3.37Å; K303-E306 PolarHBondContact O-N 2.81Å; I304-E306 VanDerWaalsContact C-N 3.32Å; I304-E306 PolarHBondContact O-N 3.38Å; E306-V308 VanDerWaalsContact C-N 3.34Å; E306-V308 PolarHBondContact O-N 3.17Å; E306-K309 PolarHBondContact O-N 3.29Å; E306-K309 VanDerWaalsContact O-N 3.13Å; E306-S310 PolarHBondContact O-N 3.3Å; E306-S310 PolarHBondContact O-OG 2.86Å; E306-N326 PolarHBondContact OE1-ND2 2.9Å
307	C	98.1	Very high	96.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-61.7	-40	-177.4	-63.8	0	0	0	0	112.9	T185 Q186 K303 I304 G311 N326	T185-C307 HydrophobicContact CG2-CB 4.17Å; Q186-C307 PolarHBondContact NE2-O 3.46Å; Q186-C307 VanDerWaalsContact NE2-O 3.12Å; K303-C307 PolarHBondContact O-N 3.23Å; K303-C307 PolarHBondContact O-SG 2.99Å; I304-C307 PolarHBondContact O-N 3.42Å; C307-G311 PolarHBondContact O-N 3.17Å; C307-G311 VanDerWaalsContact O-N 3.13Å; C307-N326 PolarHBondContact SG-ND2 2.9Å
308	V	98.1	Very high	96.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-67	-44.3	175.8	172.8	0	0	0	0	110.5	P189 L194 F198 M201 I304 E306 G311 V312	P189-V308 HydrophobicContact CB-CG1 4.35Å; P189-V308 HydrophobicContact CG-CG1 3.78Å; P189-V308 HydrophobicContact CG-CG2 4.09Å; L194-V308 HydrophobicContact CD2-CG1 3.47Å; L194-V308 VanDerWaalsContact CD2-CG1 3.47Å; F198-V308 HydrophobicContact CD1-CG2 4.46Å; F198-V308 HydrophobicContact CE1-CB 3.68Å; F198-V308 HydrophobicContact CE1-CG1 3.77Å; F198-V308 HydrophobicContact CE1-CG2 3.77Å; F198-V308 HydrophobicContact CE2-CG1 4.34Å; F198-V308 HydrophobicContact CZ-CB 3.84Å; F198-V308 HydrophobicContact CZ-CG1 3.52Å; F198-V308 HydrophobicContact CZ-CG2 4.39Å; M201-V308 HydrophobicContact CE-CG2 3.49Å; M201-V308 VanDerWaalsContact CE-CG2 3.49Å; I304-V308 VanDerWaalsContact O-CG2 3.28Å; I304-V308 WeakPolarHBondContact O-CG2 3.36Å; I304-V308 PolarHBondContact O-N 3.35Å; I304-V308 VanDerWaalsContact O-N 3.12Å; E306-V308 VanDerWaalsContact C-N 3.34Å; E306-V308 PolarHBondContact O-N 3.17Å; V308-G311 PolarHBondContact O-N 2.98Å; V308-V312 HydrophobicContact CG1-CG2 4.3Å; V308-V312 WeakPolarHBondContact O-CB 3.41Å; V308-V312 VanDerWaalsContact O-CG2 3.25Å; V308-V312 WeakPolarHBondContact O-CG2 3.47Å; V308-V312 PolarHBondContact O-N 3.37Å
309	K	97.2	Very high	96.8	Very high	93 Å²	93	41.7 Å²	41.7	40%	0.404	23%	0.227	S	C	.	.	H	α-helix	trans	-62.3	-49.3	179.7	-177	-177.6	175.5	-168.7	0	111	Y283 I305 E306 G311 V312 E313	Y283-K309 HydrophobicContact CD2-CD 4.12Å; Y283-K309 HydrophobicContact CD2-CG 4.08Å; Y283-K309 HydrophobicContact CE1-CB 4.45Å; Y283-K309 HydrophobicContact CE2-CB 4.44Å; Y283-K309 HydrophobicContact CE2-CD 4.39Å; Y283-K309 HydrophobicContact CE2-CG 3.87Å; I305-K309 VanDerWaalsContact O-CB 3.28Å; I305-K309 WeakPolarHBondContact O-CB 3.47Å; I305-K309 PolarHBondContact O-N 2.88Å; E306-K309 PolarHBondContact O-N 3.29Å; E306-K309 VanDerWaalsContact O-N 3.13Å; K309-G311 VanDerWaalsContact C-N 3.29Å; K309-G311 PolarHBondContact O-N 2.97Å; K309-V312 PolarHBondContact O-N 3.47Å; K309-E313 HydrophobicContact CG-CG 3.99Å; K309-E313 WeakPolarHBondContact O-CB 3.43Å; K309-E313 WeakPolarHBondContact O-CG 3.17Å; K309-E313 PolarHBondContact O-N 2.95Å
310	S	97.4	Very high	96.9	Very high	17 Å²	17	41.7 Å²	41.7	12%	0.119	22%	0.223	C	C	.	.	H	α-helix	trans	-59.9	-40.7	178.3	-69.4	0	0	0	0	111.8	E306 V312 E314 G315	E306-S310 PolarHBondContact O-N 3.3Å; E306-S310 PolarHBondContact O-OG 2.86Å; S310-V312 PolarHBondContact O-N 3.27Å; S310-E314 WeakPolarHBondContact CB-OE1 3.36Å; S310-E314 WeakPolarHBondContact O-CA 3.5Å; S310-E314 WeakPolarHBondContact O-CB 3.39Å; S310-E314 PolarHBondContact O-N 3.18Å; S310-E314 PolarHBondContact OG-OE1 3.19Å; S310-G315 PolarHBondContact O-N 3.21Å
311	G	96.3	Very high	96.9	Very high	8 Å²	8	46.2 Å²	46.2	8%	0.082	25%	0.246	C	C	.	.	H	α-helix	trans	-65	-37.1	176.5	0	0	0	0	0	115.4	Q186 C307 V308 K309 G315	Q186-G311 VanDerWaalsContact OE1-CA 3.25Å; C307-G311 PolarHBondContact O-N 3.17Å; C307-G311 VanDerWaalsContact O-N 3.13Å; V308-G311 PolarHBondContact O-N 2.98Å; K309-G311 VanDerWaalsContact C-N 3.29Å; K309-G311 PolarHBondContact O-N 2.97Å; G311-G315 CarbonylContact O-C 3.58Å; G311-G315 WeakPolarHBondContact O-CA 3.23Å; G311-G315 PolarHBondContact O-N 3.45Å
312	V	94	Very high	96.9	Very high	57 Å²	57	46.2 Å²	46.2	35%	0.345	25%	0.248	S	C	.	.	H	α-helix	trans	-83.4	-37.9	-176.6	173.6	0	0	0	0	112.1	P189 L194 Y283 V308 K309 S310	P189-V312 HydrophobicContact CB-CG2 4.48Å; L194-V312 HydrophobicContact CD2-CG2 4.19Å; Y283-V312 WeakPolarHBondContact OH-CG1 3.43Å; V308-V312 HydrophobicContact CG1-CG2 4.3Å; V308-V312 WeakPolarHBondContact O-CB 3.41Å; V308-V312 VanDerWaalsContact O-CG2 3.25Å; V308-V312 WeakPolarHBondContact O-CG2 3.47Å; V308-V312 PolarHBondContact O-N 3.37Å; K309-V312 PolarHBondContact O-N 3.47Å; S310-V312 PolarHBondContact O-N 3.27Å
313	E	94.7	Very high	96.9	Very high	60 Å²	60	44 Å²	44	28%	0.28	24%	0.236	S	C	.	.	H	α-helix	trans	-92.7	-38.7	-176.4	-52.4	-51.2	147.8	0	0	113.1	R279 Y283 K309	R279-E313 WeakPolarHBondContact CD-OE1 3.31Å; R279-E313 IonicContact CZ-OE1 3.62Å; R279-E313 IonicContact CZ-OE2 2.78Å; R279-E313 IonicContact NE-OE1 2.86Å; R279-E313 PolarHBondContact NE-OE1 3.39Å; R279-E313 IonicContact NE-OE2 3.59Å; R279-E313 PolarHBondContact NE-OE2 3.45Å; R279-E313 IonicContact NH2-OE1 3.88Å; R279-E313 IonicContact NH2-OE2 2.76Å; R279-E313 PolarHBondContact NH2-OE2 3.33Å; Y283-E313 HydrophobicContact CE2-CG 4.27Å; Y283-E313 VanDerWaalsContact CE2-OE1 3.27Å; Y283-E313 WeakPolarHBondContact CE2-OE1 3.45Å; Y283-E313 PolarHBondContact OH-OE1 3.07Å; K309-E313 HydrophobicContact CG-CG 3.99Å; K309-E313 WeakPolarHBondContact O-CB 3.43Å; K309-E313 WeakPolarHBondContact O-CG 3.17Å; K309-E313 PolarHBondContact O-N 2.95Å
314	E	95.6	Very high	96.9	Very high	134 Å²	134	41.7 Å²	41.7	63%	0.626	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-16.1	-176.8	-53.4	165	-136.7	0	0	112.3	S310 A318	S310-E314 WeakPolarHBondContact CB-OE1 3.36Å; S310-E314 WeakPolarHBondContact O-CA 3.5Å; S310-E314 WeakPolarHBondContact O-CB 3.39Å; S310-E314 PolarHBondContact O-N 3.18Å; S310-E314 PolarHBondContact OG-OE1 3.19Å; E314-A318 HydrophobicContact CB-CB 3.73Å
315	G	94.2	Very high	96.9	Very high	20 Å²	20	46 Å²	46	21%	0.206	25%	0.248	C	C	.	.			trans	109.4	168.9	175.9	0	0	0	0	0	114	S310 G311 I317 A318 G319	S310-G315 PolarHBondContact O-N 3.21Å; G311-G315 CarbonylContact O-C 3.58Å; G311-G315 WeakPolarHBondContact O-CA 3.23Å; G311-G315 PolarHBondContact O-N 3.45Å; G315-I317 PolarHBondContact O-N 3.31Å; G315-A318 PolarHBondContact O-N 3.3Å; G315-G319 PolarHBondContact O-N 3.03Å
316	P	90.6	Very high	96.9	Very high	88 Å²	88	45.6 Å²	45.6	57%	0.571	25%	0.246	S	C	*	.	H	α-helix	trans	-62	-40.3	-167.7	22.2	-33	0	0	0	113.1	A318 G319 Y320	P316-A318 PolarHBondContact O-N 3.45Å; P316-G319 PolarHBondContact O-N 3.08Å; P316-G319 VanDerWaalsContact O-N 3.16Å; P316-Y320 HydrophobicContact CB-CD2 4.45Å; P316-Y320 HydrophobicContact CB-CE2 4.44Å; P316-Y320 WeakPolarHBondContact O-CD2 3.24Å; P316-Y320 PolarHBondContact O-N 3.39Å
317	I	96	Very high	96.9	Very high	132 Å²	132	42.6 Å²	42.6	68%	0.677	23%	0.232	S	C	*	.	H	α-helix	trans	-60.2	-48.3	-179.7	-61.5	174.2	0	0	0	110.4	G315 G319 Y320 L321	G315-I317 PolarHBondContact O-N 3.31Å; I317-G319 VanDerWaalsContact C-N 3.3Å; I317-G319 PolarHBondContact O-N 3.44Å; I317-Y320 PolarHBondContact O-N 3.44Å; I317-L321 HydrophobicContact CG2-CD1 4.02Å; I317-L321 WeakPolarHBondContact O-CB 3.44Å; I317-L321 VanDerWaalsContact O-CG 3.32Å; I317-L321 WeakPolarHBondContact O-CG 3.29Å; I317-L321 PolarHBondContact O-N 3.39Å; I317-L321 VanDerWaalsContact O-N 3.08Å
318	A	97.9	Very high	96.9	Very high	27 Å²	27	42.6 Å²	42.6	22%	0.223	23%	0.232	C	C	.	.	H	α-helix	trans	-60.3	-42	176	0	0	0	0	0	111.3	E314 G315 P316 L321 A322	E314-A318 HydrophobicContact CB-CB 3.73Å; G315-A318 PolarHBondContact O-N 3.3Å; P316-A318 PolarHBondContact O-N 3.45Å; A318-L321 PolarHBondContact O-N 3.38Å; A318-A322 VanDerWaalsContact O-CB 3.26Å; A318-A322 WeakPolarHBondContact O-CB 3.32Å; A318-A322 PolarHBondContact O-N 3.34Å
319	G	98	Very high	96.9	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-60.5	-48.5	176.6	0	0	0	0	0	114.7	Q186 G315 P316 I317 A322 E323	Q186-G319 PolarHBondContact NE2-O 3.26Å; G315-G319 PolarHBondContact O-N 3.03Å; P316-G319 PolarHBondContact O-N 3.08Å; P316-G319 VanDerWaalsContact O-N 3.16Å; I317-G319 VanDerWaalsContact C-N 3.3Å; I317-G319 PolarHBondContact O-N 3.44Å; G319-A322 PolarHBondContact O-N 2.9Å; G319-E323 WeakPolarHBondContact O-CB 3.18Å; G319-E323 PolarHBondContact O-N 3.48Å
320	Y	98.3	Very high	96.9	Very high	36 Å²	36	42.3 Å²	42.3	14%	0.141	23%	0.232	C	C	.	.	H	α-helix	trans	-66.1	-39.4	178.5	-80.2	-78.7	0	0	0	111.9	Q124 Q186 R187 P316 I317 E323 S324	Q124-Y320 HydrophobicContact CB-CD1 4.29Å; Q124-Y320 HydrophobicContact CG-CD1 3.95Å; Q124-Y320 PolarHBondContact NE2-O 3.08Å; Q124-Y320 PolarHBondContact OE1-O 3.05Å; Q186-Y320 HydrophobicContact CB-CD2 4.4Å; Q186-Y320 HydrophobicContact CB-CE1 4.2Å; Q186-Y320 HydrophobicContact CB-CE2 3.86Å; Q186-Y320 HydrophobicContact CG-CD1 4.04Å; Q186-Y320 HydrophobicContact CG-CD2 3.97Å; Q186-Y320 HydrophobicContact CG-CE1 4.08Å; Q186-Y320 HydrophobicContact CG-CE2 3.95Å; Q186-Y320 HydrophobicContact CG-CG 3.99Å; R187-Y320 PolarHBondContact NH2-OH 3.22Å; P316-Y320 HydrophobicContact CB-CD2 4.45Å; P316-Y320 HydrophobicContact CB-CE2 4.44Å; P316-Y320 WeakPolarHBondContact O-CD2 3.24Å; P316-Y320 PolarHBondContact O-N 3.39Å; I317-Y320 PolarHBondContact O-N 3.44Å; Y320-E323 PolarHBondContact O-N 3.45Å; Y320-S324 PolarHBondContact O-N 3.33Å; Y320-S324 PolarHBondContact O-OG 3.02Å
321	L	98.1	Very high	96.9	Very high	96 Å²	96	41.9 Å²	41.9	50%	0.503	23%	0.23	S	C	.	.	H	α-helix	trans	-64	-47.3	174.6	-70.1	173.9	0	0	0	111.5	I317 A318 E323 S324 L325	I317-L321 HydrophobicContact CG2-CD1 4.02Å; I317-L321 WeakPolarHBondContact O-CB 3.44Å; I317-L321 VanDerWaalsContact O-CG 3.32Å; I317-L321 WeakPolarHBondContact O-CG 3.29Å; I317-L321 PolarHBondContact O-N 3.39Å; I317-L321 VanDerWaalsContact O-N 3.08Å; A318-L321 PolarHBondContact O-N 3.38Å; L321-E323 VanDerWaalsContact C-N 3.32Å; L321-E323 PolarHBondContact O-N 2.75Å; L321-S324 PolarHBondContact O-N 3.13Å; L321-S324 PolarHBondContact O-OG 3.21Å; L321-L325 WeakPolarHBondContact O-CB 3.45Å; L321-L325 PolarHBondContact O-N 3.45Å
322	A	98.6	Very high	96.8	Very high	16 Å²	16	45.9 Å²	45.9	13%	0.132	24%	0.243	C	C	.	.	H	α-helix	trans	-60.3	-40.9	175.8	0	0	0	0	0	111.9	A318 G319 N326	A318-A322 VanDerWaalsContact O-CB 3.26Å; A318-A322 WeakPolarHBondContact O-CB 3.32Å; A318-A322 PolarHBondContact O-N 3.34Å; G319-A322 PolarHBondContact O-N 2.9Å; A322-N326 VanDerWaalsContact O-CB 3.23Å; A322-N326 WeakPolarHBondContact O-CB 3.3Å; A322-N326 PolarHBondContact O-N 3.4Å; A322-N326 PolarHBondContact O-ND2 3.18Å
323	E	98.7	Very high	96.9	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-58.2	-53.2	174.8	-172	-168.9	74.2	0	0	110.6	Q124 L179 P180 A182 G183 G184 T185 G319 Y320 L321 L325 N326 F327	Q124-E323 PolarHBondContact NE2-OE1 3.02Å; L179-E323 HydrophobicContact CD1-CG 3.83Å; P180-E323 WeakPolarHBondContact O-CG 3.35Å; A182-E323 PolarHBondContact N-OE1 2.78Å; G183-E323 VanDerWaalsContact CA-OE1 3.28Å; G183-E323 WeakPolarHBondContact CA-OE1 3.34Å; G183-E323 WeakPolarHBondContact CA-OE2 3.01Å; G183-E323 VanDerWaalsContact N-CD 3.33Å; G183-E323 PolarHBondContact N-OE1 3.33Å; G183-E323 PolarHBondContact N-OE2 3.13Å; G184-E323 PolarHBondContact N-OE2 2.93Å; G184-E323 VanDerWaalsContact N-OE2 3.16Å; T185-E323 WeakPolarHBondContact CB-OE2 3.24Å; T185-E323 HydrophobicContact CG2-CG 3.98Å; T185-E323 PolarHBondContact N-OE2 3.12Å; T185-E323 WeakPolarHBondContact OG1-CG 3.42Å; T185-E323 PolarHBondContact OG1-OE2 3.35Å; G319-E323 WeakPolarHBondContact O-CB 3.18Å; G319-E323 PolarHBondContact O-N 3.48Å; Y320-E323 PolarHBondContact O-N 3.45Å; L321-E323 VanDerWaalsContact C-N 3.32Å; L321-E323 PolarHBondContact O-N 2.75Å; E323-L325 PolarHBondContact O-N 3.38Å; E323-N326 PolarHBondContact O-N 3.4Å; E323-F327 WeakPolarHBondContact O-CB 3.32Å; E323-F327 PolarHBondContact O-N 3.31Å
324	S	98.3	Very high	96.9	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.007	25%	0.246	C	C	.	.	H	α-helix	trans	-65	-41.8	-176.9	66.1	0	0	0	0	113.5	T117 S120 Q121 Y320 L321 F327 G328	T117-S324 PolarHBondContact OG1-O 3.12Å; S120-S324 VanDerWaalsContact OG-CA 3.23Å; S120-S324 WeakPolarHBondContact OG-CA 3.47Å; S120-S324 VanDerWaalsContact OG-CB 3.26Å; S120-S324 WeakPolarHBondContact OG-CB 3.4Å; Q121-S324 WeakPolarHBondContact CG-OG 3.46Å; Q121-S324 PolarHBondContact NE2-OG 3.47Å; Y320-S324 PolarHBondContact O-N 3.33Å; Y320-S324 PolarHBondContact O-OG 3.02Å; L321-S324 PolarHBondContact O-N 3.13Å; L321-S324 PolarHBondContact O-OG 3.21Å; S324-F327 PolarHBondContact O-N 2.81Å; S324-G328 PolarHBondContact O-N 2.93Å; S324-G328 VanDerWaalsContact O-N 3.09Å
325	L	98.4	Very high	96.9	Very high	89 Å²	89	41 Å²	41	47%	0.466	23%	0.226	S	C	.	.	H	α-helix	trans	-65.2	-49.4	178.7	-179.3	67.7	0	0	0	111	L321 E323 F327 G328 Q329	L321-L325 WeakPolarHBondContact O-CB 3.45Å; L321-L325 PolarHBondContact O-N 3.45Å; E323-L325 PolarHBondContact O-N 3.38Å; L325-F327 VanDerWaalsContact C-N 3.32Å; L325-F327 PolarHBondContact O-N 3.49Å; L325-G328 PolarHBondContact O-N 3.36Å; L325-Q329 WeakPolarHBondContact O-CG 3.27Å; L325-Q329 PolarHBondContact O-N 3.36Å
326	N	98.6	Very high	97.1	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.016	22%	0.216	C	C	.	.	H	α-helix	trans	-68.8	-31.9	-179.9	-75.2	-52.3	0	0	0	111.5	L179 K303 E306 C307 A322 E323 Q329 L330	L179-N326 HydrophobicContact CD2-CB 3.94Å; K303-N326 HydrophobicContact CB-CB 4.43Å; K303-N326 WeakPolarHBondContact CD-OD1 3.4Å; K303-N326 VanDerWaalsContact CE-OD1 3.29Å; K303-N326 WeakPolarHBondContact CE-OD1 3.44Å; K303-N326 PolarHBondContact NZ-OD1 3.22Å; E306-N326 PolarHBondContact OE1-ND2 2.9Å; C307-N326 PolarHBondContact SG-ND2 2.9Å; A322-N326 VanDerWaalsContact O-CB 3.23Å; A322-N326 WeakPolarHBondContact O-CB 3.3Å; A322-N326 PolarHBondContact O-N 3.4Å; A322-N326 PolarHBondContact O-ND2 3.18Å; E323-N326 PolarHBondContact O-N 3.4Å; N326-Q329 PolarHBondContact O-N 2.92Å; N326-Q329 PolarHBondContact OD1-OE1 2.87Å; N326-L330 VanDerWaalsContact O-CB 3.31Å; N326-L330 WeakPolarHBondContact O-CB 3.4Å; N326-L330 WeakPolarHBondContact O-CG 3.47Å; N326-L330 PolarHBondContact O-N 3.15Å
327	F	98.3	Very high	97.3	Very high	18 Å²	18	38.4 Å²	38.4	8%	0.079	21%	0.21	C	C	.	.	H	α-helix	trans	-59.7	-48.6	171.8	-176.4	-100.4	0	0	0	111.5	I107 V116 L178 L179 E323 S324 L325 L330 A331	I107-F327 HydrophobicContact CD1-CE1 4.47Å; I107-F327 HydrophobicContact CD1-CZ 3.81Å; I107-F327 HydrophobicContact CG1-CZ 4.47Å; V116-F327 HydrophobicContact CG1-CD1 3.62Å; V116-F327 HydrophobicContact CG1-CE1 3.51Å; L178-F327 HydrophobicContact CB-CE2 4.27Å; L178-F327 HydrophobicContact CD1-CE2 4.24Å; L178-F327 HydrophobicContact CD1-CZ 4.47Å; L178-F327 HydrophobicContact CD2-CE2 4.49Å; L179-F327 HydrophobicContact CD1-CB 3.87Å; L179-F327 HydrophobicContact CD1-CD2 4.08Å; L179-F327 HydrophobicContact CD1-CG 4.49Å; L179-F327 WeakPolarHBondContact O-CD2 3.21Å; L179-F327 VanDerWaalsContact O-CE2 3.32Å; L179-F327 WeakPolarHBondContact O-CE2 3.49Å; E323-F327 WeakPolarHBondContact O-CB 3.32Å; E323-F327 PolarHBondContact O-N 3.31Å; S324-F327 PolarHBondContact O-N 2.81Å; L325-F327 VanDerWaalsContact C-N 3.32Å; L325-F327 PolarHBondContact O-N 3.49Å; F327-L330 PolarHBondContact O-N 2.89Å; F327-A331 WeakPolarHBondContact O-CB 3.42Å; F327-A331 PolarHBondContact O-N 3Å
328	G	97.3	Very high	97.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-64.2	-39.8	177.4	0	0	0	0	0	113.6	A113 S324 L325	A113-G328 WeakPolarHBondContact CB-O 3.43Å; A113-G328 WeakPolarHBondContact O-CA 3.48Å; S324-G328 PolarHBondContact O-N 2.93Å; S324-G328 VanDerWaalsContact O-N 3.09Å; L325-G328 PolarHBondContact O-N 3.36Å
329	Q	97.8	Very high	97.3	Very high	82 Å²	82	32 Å²	32	38%	0.383	17%	0.173	S	C	.	.	H	α-helix	trans	-62.8	-48.8	174.5	-71.9	176.3	8	0	0	112	L325 N326 A331 R332 T333	L325-Q329 WeakPolarHBondContact O-CG 3.27Å; L325-Q329 PolarHBondContact O-N 3.36Å; N326-Q329 PolarHBondContact O-N 2.92Å; N326-Q329 PolarHBondContact OD1-OE1 2.87Å; Q329-A331 VanDerWaalsContact C-N 3.32Å; Q329-A331 PolarHBondContact O-N 2.88Å; Q329-R332 PolarHBondContact O-N 3.47Å; Q329-R332 VanDerWaalsContact O-N 3.12Å; Q329-T333 WeakPolarHBondContact O-CG2 3.41Å
330	L	98.1	Very high	97.1	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.021	18%	0.175	C	C	.	.	H	α-helix	trans	-61.3	-40.4	-179.7	-75.7	170.1	0	0	0	112.2	L178 L179 P299 A300 K303 N326 F327 R332 T333 S336	L178-L330 HydrophobicContact CD2-CB 4.14Å; L179-L330 HydrophobicContact CB-CD1 4.26Å; L179-L330 HydrophobicContact CD2-CD1 3.54Å; L179-L330 HydrophobicContact CG-CD1 3.74Å; P299-L330 HydrophobicContact CB-CD2 3.82Å; P299-L330 HydrophobicContact CG-CD2 3.87Å; A300-L330 HydrophobicContact CB-CD1 4.02Å; A300-L330 HydrophobicContact CB-CD2 4.05Å; K303-L330 HydrophobicContact CB-CD1 3.92Å; K303-L330 HydrophobicContact CB-CD2 4.49Å; K303-L330 HydrophobicContact CB-CG 4.46Å; K303-L330 HydrophobicContact CG-CD1 4.34Å; K303-L330 HydrophobicContact CG-CD2 4.13Å; K303-L330 HydrophobicContact CG-CG 4.34Å; N326-L330 VanDerWaalsContact O-CB 3.31Å; N326-L330 WeakPolarHBondContact O-CB 3.4Å; N326-L330 WeakPolarHBondContact O-CG 3.47Å; N326-L330 PolarHBondContact O-N 3.15Å; F327-L330 PolarHBondContact O-N 2.89Å; L330-R332 PolarHBondContact O-N 3.11Å; L330-T333 PolarHBondContact O-N 3.31Å; L330-T333 PolarHBondContact O-OG1 3.33Å; L330-S336 WeakPolarHBondContact O-CB 3.23Å
331	A	96.3	Very high	97	Very high	9 Å²	9	31.6 Å²	31.6	7%	0.074	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-10.5	178.2	0	0	0	0	0	114.4	I107 V116 L178 F327 Q329	I107-A331 HydrophobicContact CG2-CB 3.8Å; V116-A331 HydrophobicContact CB-CB 4.35Å; V116-A331 HydrophobicContact CG1-CB 3.73Å; V116-A331 HydrophobicContact CG2-CB 4.22Å; L178-A331 HydrophobicContact CD2-CB 3.82Å; F327-A331 WeakPolarHBondContact O-CB 3.42Å; F327-A331 PolarHBondContact O-N 3Å; Q329-A331 VanDerWaalsContact C-N 3.32Å; Q329-A331 PolarHBondContact O-N 2.88Å
332	R	94.7	Very high	96.9	Very high	92 Å²	92	27.6 Å²	27.6	35%	0.347	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	1.9	176.4	-65.2	-61.1	91.4	146.7	10.4	113.7	I107 C110 N111 A113 Q329 L330	I107-R332 PolarHBondContact O-NH2 3.16Å; C110-R332 PolarHBondContact O-NH1 2.8Å; N111-R332 PolarHBondContact O-NH1 2.85Å; N111-R332 VanDerWaalsContact O-NH1 3.11Å; A113-R332 HydrophobicContact CB-CG 3.91Å; Q329-R332 PolarHBondContact O-N 3.47Å; Q329-R332 VanDerWaalsContact O-N 3.12Å; L330-R332 PolarHBondContact O-N 3.11Å
333	T	96	Very high	96.7	Very high	36 Å²	36	31.8 Å²	31.8	22%	0.221	17%	0.171	C	C	.	.	S	Bend	trans	-79.5	154.3	176.2	85.4	0	0	0	0	111.3	P299 Q329 L330 E335 S336 A337	P299-T333 HydrophobicContact CG-CG2 4.38Å; Q329-T333 WeakPolarHBondContact O-CG2 3.41Å; L330-T333 PolarHBondContact O-N 3.31Å; L330-T333 PolarHBondContact O-OG1 3.33Å; T333-E335 VanDerWaalsContact C-N 3.26Å; T333-E335 WeakPolarHBondContact CB-OE2 3.25Å; T333-E335 PolarHBondContact O-N 2.98Å; T333-E335 PolarHBondContact OG1-OE2 2.71Å; T333-S336 PolarHBondContact O-N 2.94Å; T333-S336 PolarHBondContact OG1-N 3.47Å; T333-A337 PolarHBondContact O-N 3.11Å
334	S	94.9	Very high	96.5	Very high	67 Å²	67	34.8 Å²	34.8	47%	0.469	19%	0.185	S	C	.	.	H	α-helix	trans	-62.4	-34.2	176.9	42.5	0	0	0	0	112.4	A337 A338	S334-A337 PolarHBondContact O-N 3.27Å; S334-A338 VanDerWaalsContact O-CB 3.28Å; S334-A338 WeakPolarHBondContact O-CB 3.41Å; S334-A338 PolarHBondContact O-N 3.24Å
335	E	96.8	Very high	96.3	Very high	46 Å²	46	34.8 Å²	34.8	22%	0.215	19%	0.185	C	C	.	.	H	α-helix	trans	-69	-40.5	-179.8	-54.3	77.4	-171.7	0	0	111.3	T333 A338 L339 C713	T333-E335 VanDerWaalsContact C-N 3.26Å; T333-E335 WeakPolarHBondContact CB-OE2 3.25Å; T333-E335 PolarHBondContact O-N 2.98Å; T333-E335 PolarHBondContact OG1-OE2 2.71Å; E335-A338 PolarHBondContact O-N 3.1Å; E335-L339 WeakPolarHBondContact O-CB 3.41Å; E335-L339 WeakPolarHBondContact O-CG 3.4Å; E335-L339 PolarHBondContact O-N 2.82Å; E335-C713 HydrophobicContact CB-CB 4.43Å; E335-C713 HydrophobicContact CG-CB 3.98Å
336	S	96.7	Very high	96.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64.2	-45.3	175.3	-177.3	0	0	0	0	110.9	L176 L330 T333 A338 L339 I340	L176-S336 WeakPolarHBondContact O-CA 3.47Å; L176-S336 PolarHBondContact O-OG 3.11Å; L330-S336 WeakPolarHBondContact O-CB 3.23Å; T333-S336 PolarHBondContact O-N 2.94Å; T333-S336 PolarHBondContact OG1-N 3.47Å; S336-A338 VanDerWaalsContact C-N 3.32Å; S336-A338 PolarHBondContact O-N 3.31Å; S336-L339 PolarHBondContact O-N 3.43Å; S336-I340 WeakPolarHBondContact O-CB 3.35Å; S336-I340 VanDerWaalsContact O-CG1 3.27Å; S336-I340 WeakPolarHBondContact O-CG1 3.47Å; S336-I340 PolarHBondContact O-N 2.92Å
337	A	94.8	Very high	95.9	Very high	53 Å²	53	34.7 Å²	34.7	44%	0.438	19%	0.185	S	C	.	.	H	α-helix	trans	-59.1	-42.6	175.8	0	0	0	0	0	112.4	T333 S334 G341	T333-A337 PolarHBondContact O-N 3.11Å; S334-A337 PolarHBondContact O-N 3.27Å; A337-G341 PolarHBondContact O-N 2.96Å
338	A	96.4	Very high	95.7	Very high	3 Å²	3	36.1 Å²	36.1	3%	0.025	20%	0.2	C	C	.	.	H	α-helix	trans	-60.8	-50	175	0	0	0	0	0	112.4	S334 E335 S336 G341 L342 C713 G715	S334-A338 VanDerWaalsContact O-CB 3.28Å; S334-A338 WeakPolarHBondContact O-CB 3.41Å; S334-A338 PolarHBondContact O-N 3.24Å; E335-A338 PolarHBondContact O-N 3.1Å; S336-A338 VanDerWaalsContact C-N 3.32Å; S336-A338 PolarHBondContact O-N 3.31Å; A338-G341 PolarHBondContact O-N 3.36Å; A338-L342 WeakPolarHBondContact O-CG 3.24Å; A338-L342 PolarHBondContact O-N 3.32Å; A338-C713 WeakPolarHBondContact CB-O 3.32Å; A338-G715 VanDerWaalsContact CB-CA 3.49Å
339	L	97.4	Very high	95.7	Very high	20 Å²	20	36.4 Å²	36.4	11%	0.105	20%	0.202	C	C	.	.	H	α-helix	trans	-67.6	-36.7	-178.6	-69.1	172.3	0	0	0	112.5	Y298 E335 S336 L342 Y343 P712	Y298-L339 HydrophobicContact CD1-CD1 4.33Å; Y298-L339 HydrophobicContact CE1-CD1 4.41Å; E335-L339 WeakPolarHBondContact O-CB 3.41Å; E335-L339 WeakPolarHBondContact O-CG 3.4Å; E335-L339 PolarHBondContact O-N 2.82Å; S336-L339 PolarHBondContact O-N 3.43Å; L339-L342 HydrophobicContact CD2-CD1 4.4Å; L339-L342 PolarHBondContact O-N 2.91Å; L339-Y343 PolarHBondContact O-N 3.4Å; L339-P712 HydrophobicContact CD2-CB 3.89Å
340	I	95.7	Very high	95.5	Very high	8 Å²	8	37.2 Å²	37.2	4%	0.041	21%	0.205	C	C	.	.	H	α-helix	trans	-63.5	-44	171.9	-71	167.7	0	0	0	110.5	I104 L176 S336 L342 Y343 H344	I104-I340 HydrophobicContact CG2-CD1 4.41Å; I104-I340 HydrophobicContact CG2-CG1 4.47Å; I104-I340 HydrophobicContact CG2-CG2 3.68Å; L176-I340 HydrophobicContact CB-CG1 4.11Å; L176-I340 HydrophobicContact CD2-CG1 4.35Å; S336-I340 WeakPolarHBondContact O-CB 3.35Å; S336-I340 VanDerWaalsContact O-CG1 3.27Å; S336-I340 WeakPolarHBondContact O-CG1 3.47Å; S336-I340 PolarHBondContact O-N 2.92Å; I340-L342 VanDerWaalsContact C-N 3.33Å; I340-L342 PolarHBondContact O-N 3.32Å; I340-Y343 WeakPolarHBondContact O-CB 3.44Å; I340-Y343 PolarHBondContact O-N 2.93Å; I340-Y343 VanDerWaalsContact O-N 3.16Å; I340-H344 WeakPolarHBondContact CG2-NE2 3.39Å; I340-H344 PolarHBondContact O-CD2 3.3Å; I340-H344 PolarHBondContact O-N 3.42Å
341	G	94.9	Very high	95.4	Very high	21 Å²	21	43.5 Å²	43.5	22%	0.216	23%	0.232	C	C	.	.	H	α-helix	trans	-56.9	-46.1	174.2	0	0	0	0	0	112.4	A337 A338 Y343 H344 G345	A337-G341 PolarHBondContact O-N 2.96Å; A338-G341 PolarHBondContact O-N 3.36Å; G341-Y343 PolarHBondContact O-N 3.15Å; G341-H344 PolarHBondContact O-N 2.95Å; G341-G345 PolarHBondContact O-N 3.15Å
342	L	96.7	Very high	95.3	Very high	11 Å²	11	45 Å²	45	6%	0.058	24%	0.238	C	C	.	.	H	α-helix	trans	-64	-36.9	175.5	-71.5	171.6	0	0	0	112.8	A338 L339 I340 G345 Q346 D701 I702 V705 P712 G715	A338-L342 WeakPolarHBondContact O-CG 3.24Å; A338-L342 PolarHBondContact O-N 3.32Å; L339-L342 HydrophobicContact CD2-CD1 4.4Å; L339-L342 PolarHBondContact O-N 2.91Å; I340-L342 VanDerWaalsContact C-N 3.33Å; I340-L342 PolarHBondContact O-N 3.32Å; L342-G345 PolarHBondContact O-N 2.71Å; L342-Q346 WeakPolarHBondContact O-CB 3.32Å; L342-Q346 PolarHBondContact O-N 2.9Å; L342-D701 HydrophobicContact CD2-CB 4.41Å; L342-I702 HydrophobicContact CD2-CD1 4.04Å; L342-I702 WeakPolarHBondContact O-CD1 3.5Å; L342-V705 HydrophobicContact CD1-CG1 4.08Å; L342-V705 HydrophobicContact CD1-CG2 4.13Å; L342-V705 HydrophobicContact CD2-CB 4.09Å; L342-V705 HydrophobicContact CD2-CG1 4.38Å; L342-V705 HydrophobicContact CD2-CG2 3.79Å; L342-P712 HydrophobicContact CD1-CB 4.11Å; L342-G715 WeakPolarHBondContact CD2-O 3.46Å
343	Y	94.9	Very high	95.3	Very high	104 Å²	104	46.5 Å²	46.5	41%	0.408	24%	0.244	S	C	.	.	H	α-helix	trans	-61.4	-50.1	174.2	171.9	-96.5	0	0	0	111.5	I104 L176 L339 I340 G341 G345 Q346 V347	I104-Y343 HydrophobicContact CD1-CD1 3.62Å; I104-Y343 HydrophobicContact CD1-CE1 3.52Å; L176-Y343 HydrophobicContact CD2-CD1 4.4Å; L176-Y343 HydrophobicContact CD2-CD2 4.12Å; L176-Y343 HydrophobicContact CD2-CG 3.81Å; L339-Y343 PolarHBondContact O-N 3.4Å; I340-Y343 WeakPolarHBondContact O-CB 3.44Å; I340-Y343 PolarHBondContact O-N 2.93Å; I340-Y343 VanDerWaalsContact O-N 3.16Å; G341-Y343 PolarHBondContact O-N 3.15Å; Y343-G345 VanDerWaalsContact C-N 3.32Å; Y343-G345 PolarHBondContact O-N 3.1Å; Y343-Q346 PolarHBondContact O-N 2.97Å; Y343-V347 HydrophobicContact CE1-CG2 4.07Å; Y343-V347 HydrophobicContact CE2-CG2 4.26Å; Y343-V347 WeakPolarHBondContact O-CG2 3.48Å; Y343-V347 PolarHBondContact O-N 2.89Å
344	H	93.2	Very high	95.2	Very high	64 Å²	64	48.4 Å²	48.4	30%	0.296	25%	0.25	S	C	.	.	H	α-helix	trans	-61.6	-42.1	176.9	-69.1	-61.8	0	0	0	111.9	I340 G341 Q346 V347 A348	I340-H344 WeakPolarHBondContact CG2-NE2 3.39Å; I340-H344 PolarHBondContact O-CD2 3.3Å; I340-H344 PolarHBondContact O-N 3.42Å; G341-H344 PolarHBondContact O-N 2.95Å; H344-Q346 VanDerWaalsContact C-N 3.35Å; H344-Q346 PolarHBondContact O-N 2.9Å; H344-V347 PolarHBondContact O-N 3.44Å; H344-A348 PolarHBondContact O-N 2.94Å
345	G	94.9	Very high	95.1	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60.7	-43.3	175.1	0	0	0	0	0	112.3	G341 L342 Y343 V347 A348 C349 I702	G341-G345 PolarHBondContact O-N 3.15Å; L342-G345 PolarHBondContact O-N 2.71Å; Y343-G345 VanDerWaalsContact C-N 3.32Å; Y343-G345 PolarHBondContact O-N 3.1Å; G345-V347 VanDerWaalsContact C-N 3.33Å; G345-V347 PolarHBondContact O-N 3.02Å; G345-A348 PolarHBondContact O-N 2.77Å; G345-C349 WeakPolarHBondContact O-CB 3.41Å; G345-C349 PolarHBondContact O-N 2.82Å; G345-C349 PolarHBondContact O-SG 2.75Å; G345-I702 VanDerWaalsContact C-CD1 3.47Å
346	Q	95.2	Very high	95	Very high	36 Å²	36	51.4 Å²	51.4	17%	0.168	28%	0.276	C	S	.	.	H	α-helix	trans	-63.4	-39.2	176.7	-167.2	-173	35.7	0	0	111.8	L342 Y343 H344 C349 K350 V535 I702 F706	L342-Q346 WeakPolarHBondContact O-CB 3.32Å; L342-Q346 PolarHBondContact O-N 2.9Å; Y343-Q346 PolarHBondContact O-N 2.97Å; H344-Q346 VanDerWaalsContact C-N 3.35Å; H344-Q346 PolarHBondContact O-N 2.9Å; Q346-C349 PolarHBondContact O-N 3.18Å; Q346-K350 HydrophobicContact CG-CD 4.46Å; Q346-K350 WeakPolarHBondContact O-CB 3.49Å; Q346-K350 WeakPolarHBondContact O-CG 3.44Å; Q346-K350 PolarHBondContact O-N 2.85Å; Q346-K350 VanDerWaalsContact O-N 3.08Å; Q346-V535 HydrophobicContact CG-CG1 4.36Å; Q346-V535 HydrophobicContact CG-CG2 3.82Å; Q346-I702 HydrophobicContact CB-CD1 4.32Å; Q346-I702 VanDerWaalsContact N-CD1 3.31Å; Q346-F706 HydrophobicContact CB-CE2 4.25Å; Q346-F706 HydrophobicContact CB-CZ 4.34Å; Q346-F706 HydrophobicContact CG-CE2 4.31Å; Q346-F706 HydrophobicContact CG-CZ 4.18Å
347	V	93.1	Very high	95	Very high	54 Å²	54	52.2 Å²	52.2	33%	0.327	28%	0.281	S	S	.	.	H	α-helix	trans	-64.1	-41	175.6	171	0	0	0	0	111.1	Y343 H344 G345 K350	Y343-V347 HydrophobicContact CE1-CG2 4.07Å; Y343-V347 HydrophobicContact CE2-CG2 4.26Å; Y343-V347 WeakPolarHBondContact O-CG2 3.48Å; Y343-V347 PolarHBondContact O-N 2.89Å; H344-V347 PolarHBondContact O-N 3.44Å; G345-V347 VanDerWaalsContact C-N 3.33Å; G345-V347 PolarHBondContact O-N 3.02Å; V347-K350 PolarHBondContact O-N 3.29Å
348	A	94.4	Very high	95	Very high	48 Å²	48	53.6 Å²	53.6	40%	0.397	29%	0.293	S	S	.	.	H	α-helix	trans	-66.1	-46.8	176.2	0	0	0	0	0	111.7	H344 G345 K350 K351 L698	H344-A348 PolarHBondContact O-N 2.94Å; G345-A348 PolarHBondContact O-N 2.77Å; A348-K350 PolarHBondContact O-N 3.04Å; A348-K350 VanDerWaalsContact O-N 3.15Å; A348-K351 WeakPolarHBondContact O-CB 3.43Å; A348-K351 PolarHBondContact O-N 3.28Å; A348-L698 HydrophobicContact CB-CD2 4.34Å
349	C	96.1	Very high	94.9	Very high	6 Å²	6	60.1 Å²	60.1	4%	0.041	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-6.1	178.1	-67.9	0	0	0	0	114.1	G345 Q346 V535 I536 I702	G345-C349 WeakPolarHBondContact O-CB 3.41Å; G345-C349 PolarHBondContact O-N 2.82Å; G345-C349 PolarHBondContact O-SG 2.75Å; Q346-C349 PolarHBondContact O-N 3.18Å; C349-V535 HydrophobicContact CB-CG1 3.59Å; C349-I536 WeakPolarHBondContact CB-O 3.39Å; C349-I536 PolarHBondContact O-N 2.88Å; C349-I702 HydrophobicContact CB-CG2 4.12Å
350	K	95.5	Very high	94.8	Very high	99 Å²	99	63.4 Å²	63.4	43%	0.43	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	13.7	170.2	-77.3	-176.8	-179.1	175.5	0	113.4	Q346 V347 A348 L530 V535	Q346-K350 HydrophobicContact CG-CD 4.46Å; Q346-K350 WeakPolarHBondContact O-CB 3.49Å; Q346-K350 WeakPolarHBondContact O-CG 3.44Å; Q346-K350 PolarHBondContact O-N 2.85Å; Q346-K350 VanDerWaalsContact O-N 3.08Å; V347-K350 PolarHBondContact O-N 3.29Å; A348-K350 PolarHBondContact O-N 3.04Å; A348-K350 VanDerWaalsContact O-N 3.15Å; K350-L530 VanDerWaalsContact C-CD2 3.44Å; K350-L530 HydrophobicContact CB-CD2 4.39Å; K350-L530 WeakPolarHBondContact O-CD2 3.1Å; K350-V535 HydrophobicContact CG-CG2 4.31Å
351	K	94.4	Very high	94.9	Very high	136 Å²	136	63.7 Å²	63.7	59%	0.591	34%	0.341	S	S	*	.	S	Bend	trans	-117	145.8	175.2	-65.8	175.5	-176	176.5	0	110.4	A348 R353	A348-K351 WeakPolarHBondContact O-CB 3.43Å; A348-K351 PolarHBondContact O-N 3.28Å; K351-R353 PolarHBondContact O-N 3.42Å
352	N	95.4	Very high	95	Very high	40 Å²	40	69.8 Å²	69.8	21%	0.214	36%	0.362	C	S	.	.			trans	-84.2	93.2	173.8	-164.2	-17	0	0	0	110.2	F354 G355 A523 V526 L530	N352-F354 PolarHBondContact O-N 2.93Å; N352-F354 PolarHBondContact OD1-N 3.03Å; N352-F354 VanDerWaalsContact OD1-N 3.11Å; N352-G355 PolarHBondContact ND2-O 3.17Å; N352-G355 PolarHBondContact O-N 3.46Å; N352-G355 PolarHBondContact OD1-O 3.39Å; N352-A523 PolarHBondContact ND2-O 3.09Å; N352-V526 HydrophobicContact CB-CG1 3.97Å; N352-V526 WeakPolarHBondContact OD1-CG1 3.21Å; N352-L530 HydrophobicContact CB-CD1 3.85Å
353	R	93.6	Very high	95.1	Very high	124 Å²	124	70.4 Å²	70.4	47%	0.468	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-11.9	177.7	69.5	178.5	179.1	-166.6	-4.7	114	K351 N695 E699	K351-R353 PolarHBondContact O-N 3.42Å; R353-N695 PolarHBondContact NH2-ND2 2.64Å; R353-E699 VanDerWaalsContact CZ-CD 3.48Å; R353-E699 IonicContact CZ-OE1 3.71Å; R353-E699 IonicContact CZ-OE2 2.66Å; R353-E699 VanDerWaalsContact CZ-OE2 3.29Å; R353-E699 IonicContact NE-OE1 2.83Å; R353-E699 IonicContact NH1-OE1 3.41Å; R353-E699 PolarHBondContact NH1-OE1 2.99Å; R353-E699 IonicContact NH1-OE2 2.82Å; R353-E699 PolarHBondContact NH1-OE2 3.12Å; R353-E699 IonicContact NH2-OE1 3.85Å; R353-E699 PolarHBondContact NH2-OE1 3.31Å; R353-E699 IonicContact NH2-OE2 3.38Å; R353-E699 PolarHBondContact NH2-OE2 2.88Å
354	F	94.8	Very high	95.3	Very high	76 Å²	76	65.5 Å²	65.5	33%	0.333	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	2	179	-55.3	-86.4	0	0	0	112.9	N352 T522 A523 V526 V538	N352-F354 PolarHBondContact O-N 2.93Å; N352-F354 PolarHBondContact OD1-N 3.03Å; N352-F354 VanDerWaalsContact OD1-N 3.11Å; F354-T522 HydrophobicContact CD1-CG2 4.11Å; F354-T522 HydrophobicContact CD2-CG2 3.97Å; F354-T522 HydrophobicContact CE1-CG2 4Å; F354-T522 HydrophobicContact CE2-CG2 3.88Å; F354-T522 HydrophobicContact CG-CG2 4.08Å; F354-T522 HydrophobicContact CZ-CG2 3.88Å; F354-A523 HydrophobicContact CB-CB 3.79Å; F354-V526 HydrophobicContact CD2-CG2 3.87Å; F354-V526 HydrophobicContact CE2-CG2 4.07Å; F354-V538 HydrophobicContact CE2-CB 4.14Å; F354-V538 HydrophobicContact CE2-CG1 4.31Å; F354-V538 HydrophobicContact CE2-CG2 3.53Å; F354-V538 HydrophobicContact CZ-CB 4.03Å; F354-V538 HydrophobicContact CZ-CG1 3.91Å; F354-V538 HydrophobicContact CZ-CG2 3.95Å
355	G	91.9	Very high	95.5	Very high	37 Å²	37	62.4 Å²	62.4	38%	0.381	33%	0.333	S	S	.	.			trans	86.8	-173.6	177.9	0	0	0	0	0	113.9	N352	N352-G355 PolarHBondContact ND2-O 3.17Å; N352-G355 PolarHBondContact O-N 3.46Å; N352-G355 PolarHBondContact OD1-O 3.39Å
356	T	95	Very high	95.7	Very high	139 Å²	139	62.4 Å²	62.4	85%	0.853	33%	0.333	S	S	*	.			trans	-77.6	128	177	-56.8	0	0	0	0	109.4
357	P	95.9	Very high	95.9	Very high	18 Å²	18	60.8 Å²	60.8	12%	0.117	33%	0.325	C	S	.	.			trans	-65.1	152.8	177.1	28.4	-35.8	0	0	0	111.3	R359 A523 A527	P357-R359 PolarHBondContact O-N 2.84Å; P357-A523 HydrophobicContact CB-CB 4.39Å; P357-A527 HydrophobicContact CG-CB 4.06Å
358	A	94.9	Very high	96	Very high	82 Å²	82	58.7 Å²	58.7	68%	0.678	31%	0.314	S	S	*	.	S	Bend	trans	-60.4	-31	179.5	0	0	0	0	0	112.6	D520	A358-D520 VanDerWaalsContact CB-OD1 3.3Å; A358-D520 WeakPolarHBondContact CB-OD1 3.49Å; A358-D520 PolarHBondContact N-OD1 3.42Å
359	R	94.3	Very high	96.1	Very high	140 Å²	140	56.5 Å²	56.5	53%	0.528	30%	0.296	S	S	.	.	S	Bend	trans	-133.3	126.5	177	-64.4	-176.1	179.7	-159.7	-1.5	110.8	P357 H469	P357-R359 PolarHBondContact O-N 2.84Å; R359-H469 PolarHBondContact NH1-CE1 3.21Å; R359-H469 VanDerWaalsContact NH1-CG 3.26Å; R359-H469 PolarHBondContact NH1-ND1 3Å; R359-H469 VanDerWaalsContact NH1-ND1 3.11Å
360	P	95.8	Very high	95.8	Very high	88 Å²	88	58.2 Å²	58.2	57%	0.571	32%	0.315	S	S	*	.			trans	-73.7	134.5	171.1	30.1	-32.6	0	0	0	110.1	K362	P360-K362 PolarHBondContact O-N 2.86Å
361	V	98.1	Very high	95.5	Very high	15 Å²	15	58.6 Å²	58.6	9%	0.091	32%	0.321	C	S	.	.			trans	-68.8	116.3	175.4	175.9	0	0	0	0	110	L364 D442 M443 V528	V361-L364 HydrophobicContact CG1-CB 4.17Å; V361-L364 HydrophobicContact CG1-CD1 4.37Å; V361-D442 HydrophobicContact CB-CB 4.25Å; V361-D442 HydrophobicContact CG1-CB 4.11Å; V361-D442 HydrophobicContact CG2-CB 4.17Å; V361-M443 HydrophobicContact CG1-CB 3.93Å; V361-M443 HydrophobicContact CG2-CB 3.94Å; V361-M443 HydrophobicContact CG2-CE 4.02Å; V361-V528 HydrophobicContact CB-CG2 3.71Å; V361-V528 HydrophobicContact CG1-CG2 4.12Å; V361-V528 HydrophobicContact CG2-CG2 3.58Å
362	K	97.6	Very high	95.5	Very high	148 Å²	148	54 Å²	54	64%	0.643	30%	0.302	S	S	*	.			trans	-106.1	-38.8	176.9	-66.2	-179.3	-179.1	178.8	0	111.9	P360 H386 D442	P360-K362 PolarHBondContact O-N 2.86Å; K362-H386 PolarHBondContact O-N 3.16Å; K362-D442 PolarHBondContact N-OD2 3.06Å
363	T	98.3	Very high	95.5	Very high	25 Å²	25	52.1 Å²	52.1	15%	0.153	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	122.8	174.7	-61.6	0	0	0	0	109.8	H386 I388 D442	T363-H386 WeakPolarHBondContact CA-O 3.28Å; T363-I388 HydrophobicContact CG2-CD1 4.26Å; T363-D442 PolarHBondContact N-OD2 3.16Å; T363-D442 VanDerWaalsContact N-OD2 3.16Å; T363-D442 PolarHBondContact O-N 2.92Å
364	L	98.6	Very high	95.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	131.3	178.5	-171.1	149.9	0	0	0	109.5	V361 I366 T380 V385 H386 T387 I388 M443 I445 V528	V361-L364 HydrophobicContact CG1-CB 4.17Å; V361-L364 HydrophobicContact CG1-CD1 4.37Å; L364-I366 HydrophobicContact CD2-CD1 3.84Å; L364-I366 HydrophobicContact CD2-CG1 3.36Å; L364-T380 HydrophobicContact CB-CG2 4.29Å; L364-T380 HydrophobicContact CD1-CG2 4.05Å; L364-T380 HydrophobicContact CD2-CG2 4.31Å; L364-T380 HydrophobicContact CG-CG2 4.46Å; L364-V385 HydrophobicContact CB-CG1 3.9Å; L364-H386 PolarHBondContact N-O 3.21Å; L364-T387 HydrophobicContact CD2-CG2 4.26Å; L364-T387 CarbonylContact O-C 3.36Å; L364-T387 WeakPolarHBondContact O-CA 3.21Å; L364-I388 PolarHBondContact O-N 3.44Å; L364-M443 CarbonylContact C-O 3.57Å; L364-M443 WeakPolarHBondContact CA-O 3.47Å; L364-M443 HydrophobicContact CD1-SD 4.36Å; L364-I445 HydrophobicContact CD1-CD1 3.94Å; L364-I445 HydrophobicContact CD1-CG1 4.46Å; L364-I445 HydrophobicContact CD2-CD1 4.17Å; L364-I445 HydrophobicContact CD2-CG1 4.32Å; L364-I445 HydrophobicContact CG-CD1 4.47Å; L364-V528 HydrophobicContact CD1-CG1 3.88Å
365	A	98.8	Very high	95.8	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	141.6	173.1	0	0	0	0	0	111	I388 F438 M443 V444 I445	A365-I388 CarbonylContact C-O 3.57Å; A365-I388 WeakPolarHBondContact CA-O 3.43Å; A365-I388 HydrophobicContact CB-CB 4.13Å; A365-F438 HydrophobicContact CB-CD1 4.21Å; A365-F438 HydrophobicContact CB-CE1 3.64Å; A365-F438 HydrophobicContact CB-CE2 4.1Å; A365-F438 HydrophobicContact CB-CZ 3.59Å; A365-M443 PolarHBondContact N-O 3.1Å; A365-V444 HydrophobicContact CB-CG1 4.48Å; A365-V444 HydrophobicContact CB-CG2 4.22Å; A365-V444 CarbonylContact O-C 3.33Å; A365-V444 VanDerWaalsContact O-CA 3.27Å; A365-V444 WeakPolarHBondContact O-CA 3.31Å; A365-I445 PolarHBondContact O-N 2.65Å
366	I	98.7	Very high	96.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	128.2	179.7	-57.8	171.5	0	0	0	108.2	L364 I376 A377 T387 I388 L389 K390 I445	L364-I366 HydrophobicContact CD2-CD1 3.84Å; L364-I366 HydrophobicContact CD2-CG1 3.36Å; I366-I376 HydrophobicContact CD1-CB 4.11Å; I366-I376 HydrophobicContact CD1-CG2 3.73Å; I366-I376 HydrophobicContact CG1-CG2 4.31Å; I366-A377 HydrophobicContact CD1-CB 3.62Å; I366-A377 VanDerWaalsContact CD1-N 3.26Å; I366-T387 HydrophobicContact CD1-CG2 3.6Å; I366-T387 HydrophobicContact CG1-CG2 4.08Å; I366-I388 PolarHBondContact N-O 3.41Å; I366-L389 HydrophobicContact CB-CD1 4.03Å; I366-L389 HydrophobicContact CG2-CD1 4.02Å; I366-K390 PolarHBondContact O-N 3.19Å; I366-I445 WeakPolarHBondContact CA-O 3.4Å
367	L	98.4	Very high	96.2	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.01	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	115.6	-179.1	-55.4	163.7	0	0	0	109.5	K390 Y435 F438 V444 I445 E446 A447 V448 V458 V462 F472	L367-K390 HydrophobicContact CD2-CB 4.28Å; L367-K390 HydrophobicContact CD2-CD 4.05Å; L367-Y435 HydrophobicContact CD2-CE1 3.97Å; L367-F438 HydrophobicContact CD2-CE1 3.83Å; L367-F438 HydrophobicContact CD2-CZ 3.8Å; L367-V444 HydrophobicContact CD1-CG1 3.49Å; L367-V444 VanDerWaalsContact CD1-CG1 3.49Å; L367-V444 HydrophobicContact CG-CG1 3.82Å; L367-I445 PolarHBondContact N-O 2.86Å; L367-E446 HydrophobicContact CD1-CB 4.18Å; L367-A447 CarbonylContact O-C 3.6Å; L367-A447 VanDerWaalsContact O-C 3.28Å; L367-A447 WeakPolarHBondContact O-CA 3.22Å; L367-A447 PolarHBondContact O-N 2.93Å; L367-V448 HydrophobicContact CB-CG1 4.4Å; L367-V458 HydrophobicContact CD1-CG1 3.58Å; L367-V462 HydrophobicContact CD1-CG2 3.63Å; L367-V462 HydrophobicContact CD2-CG2 4.11Å; L367-F472 HydrophobicContact CD1-CE2 4.15Å
368	G	96.7	Very high	96.3	Very high	10 Å²	10	33.8 Å²	33.8	10%	0.103	19%	0.191	C	C	.	.			trans	100.4	117.4	-174	0	0	0	0	0	111.3	G370 G373 K390	G368-G370 VanDerWaalsContact C-N 3.3Å; G368-G373 WeakPolarHBondContact O-CA 3.14Å; G368-K390 WeakPolarHBondContact CA-O 3.45Å; G368-K390 PolarHBondContact N-O 3.31Å
369	A	96	Very high	96.4	Very high	2 Å²	2	30.6 Å²	30.6	2%	0.017	16%	0.164	C	C	.	.			trans	-94.7	19.1	177	0	0	0	0	0	112.9	L389 D391 G396 L397 G400	A369-L389 HydrophobicContact CB-CD1 4.12Å; A369-L389 HydrophobicContact CB-CD2 3.94Å; A369-L389 HydrophobicContact CB-CG 3.94Å; A369-D391 WeakPolarHBondContact CA-OD2 3.39Å; A369-D391 HydrophobicContact CB-CB 3.8Å; A369-D391 WeakPolarHBondContact CB-OD2 3.33Å; A369-D391 PolarHBondContact N-OD2 2.84Å; A369-G396 WeakPolarHBondContact CB-O 3.34Å; A369-L397 HydrophobicContact CB-CD1 4.28Å; A369-G400 WeakPolarHBondContact O-CA 3.28Å; A369-G400 PolarHBondContact O-N 2.81Å
370	G	89.9	Confident	96.6	Very high	41 Å²	41	24.1 Å²	24.1	42%	0.423	14%	0.139	S	C	.	.	S	Bend	trans	-65.5	-175.1	171.1	0	0	0	0	0	113.1	G368 M372 G373 A374	G368-G370 VanDerWaalsContact C-N 3.3Å; G370-M372 VanDerWaalsContact C-N 3.3Å; G370-M372 PolarHBondContact O-N 3.35Å; G370-G373 PolarHBondContact O-N 2.95Å; G370-A374 WeakPolarHBondContact O-CB 3.21Å; G370-A374 PolarHBondContact O-N 3.18Å
371	L	88.8	Confident	96.7	Very high	107 Å²	107	19.9 Å²	19.9	56%	0.56	11%	0.112	S	C	*	.	H	α-helix	trans	-51.5	-45.8	-174.8	-179.1	70.3	0	0	0	113.3	G375 Q403	L371-G375 PolarHBondContact O-N 3.26Å; L371-G375 VanDerWaalsContact O-N 3.15Å; L371-Q403 PolarHBondContact O-NE2 3.38Å
372	M	93.1	Very high	96.4	Very high	40 Å²	40	20.9 Å²	20.9	20%	0.197	12%	0.117	C	C	.	.	H	α-helix	trans	-71.7	-50.9	-178.9	-67	-58.6	-75.8	0	0	111.5	G370 A374 G375 I376 Y499 S501 V503	G370-M372 VanDerWaalsContact C-N 3.3Å; G370-M372 PolarHBondContact O-N 3.35Å; M372-A374 PolarHBondContact O-N 3.25Å; M372-G375 CarbonylContact O-C 3.59Å; M372-G375 WeakPolarHBondContact O-CA 3.47Å; M372-G375 PolarHBondContact O-N 3.18Å; M372-G375 VanDerWaalsContact O-N 3.08Å; M372-I376 VanDerWaalsContact O-CG1 3.29Å; M372-I376 WeakPolarHBondContact O-CG1 3.34Å; M372-I376 PolarHBondContact O-N 3.35Å; M372-Y499 WeakPolarHBondContact CE-O 3.42Å; M372-S501 VanDerWaalsContact SD-CB 3.57Å; M372-V503 HydrophobicContact CE-CG2 3.56Å; M372-V503 HydrophobicContact SD-CG2 3.73Å
373	G	96.6	Very high	96.2	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-62.1	-40.3	-179.1	0	0	0	0	0	113.2	G368 G370 G375 I376 A377	G368-G373 WeakPolarHBondContact O-CA 3.14Å; G370-G373 PolarHBondContact O-N 2.95Å; G373-G375 PolarHBondContact O-N 3.12Å; G373-I376 PolarHBondContact O-N 3.24Å; G373-A377 WeakPolarHBondContact O-CB 3.24Å; G373-A377 PolarHBondContact O-N 3.44Å
374	A	96.7	Very high	96.1	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-64.3	-39	172.5	0	0	0	0	0	112.5	G370 M372 A377 Q378 Q403 V404	G370-A374 WeakPolarHBondContact O-CB 3.21Å; G370-A374 PolarHBondContact O-N 3.18Å; M372-A374 PolarHBondContact O-N 3.25Å; A374-A377 WeakPolarHBondContact O-CB 3.49Å; A374-A377 PolarHBondContact O-N 3.36Å; A374-Q378 WeakPolarHBondContact O-CB 3.42Å; A374-Q378 PolarHBondContact O-N 2.8Å; A374-Q403 HydrophobicContact CB-CB 4.04Å; A374-Q403 HydrophobicContact CB-CG 4.17Å; A374-V404 HydrophobicContact CB-CG2 4.42Å; A374-V404 WeakPolarHBondContact O-CG2 3.14Å
375	G	96.8	Very high	96	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-62.8	-44	173.9	0	0	0	0	0	112.7	L371 M372 G373 A377 Q378 V379	L371-G375 PolarHBondContact O-N 3.26Å; L371-G375 VanDerWaalsContact O-N 3.15Å; M372-G375 CarbonylContact O-C 3.59Å; M372-G375 WeakPolarHBondContact O-CA 3.47Å; M372-G375 PolarHBondContact O-N 3.18Å; M372-G375 VanDerWaalsContact O-N 3.08Å; G373-G375 PolarHBondContact O-N 3.12Å; G375-A377 VanDerWaalsContact C-N 3.35Å; G375-Q378 PolarHBondContact O-N 2.95Å; G375-V379 WeakPolarHBondContact O-CG2 3.44Å; G375-V379 PolarHBondContact O-N 2.88Å; G375-V379 VanDerWaalsContact O-N 3.14Å
376	I	98.4	Very high	96	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-63.6	-42	175	-63.2	163.9	0	0	0	110	I366 M372 G373 Q378 V379 T380 I445 A447 N475 Y499 V503	I366-I376 HydrophobicContact CD1-CB 4.11Å; I366-I376 HydrophobicContact CD1-CG2 3.73Å; I366-I376 HydrophobicContact CG1-CG2 4.31Å; M372-I376 VanDerWaalsContact O-CG1 3.29Å; M372-I376 WeakPolarHBondContact O-CG1 3.34Å; M372-I376 PolarHBondContact O-N 3.35Å; G373-I376 PolarHBondContact O-N 3.24Å; I376-Q378 PolarHBondContact O-N 3.45Å; I376-V379 VanDerWaalsContact O-CG2 3.28Å; I376-V379 WeakPolarHBondContact O-CG2 3.31Å; I376-V379 PolarHBondContact O-N 2.85Å; I376-T380 WeakPolarHBondContact O-CB 3.23Å; I376-T380 PolarHBondContact O-N 3.12Å; I376-T380 VanDerWaalsContact O-N 3.13Å; I376-T380 PolarHBondContact O-OG1 3.15Å; I376-I445 HydrophobicContact CD1-CG2 4.14Å; I376-I445 HydrophobicContact CG2-CD1 3.93Å; I376-A447 HydrophobicContact CD1-CB 4.5Å; I376-N475 HydrophobicContact CD1-CB 4.33Å; I376-Y499 HydrophobicContact CD1-CD2 3.5Å; I376-Y499 VanDerWaalsContact CD1-CD2 3.5Å; I376-Y499 HydrophobicContact CD1-CE2 3.84Å; I376-Y499 HydrophobicContact CD1-CG 4.03Å; I376-Y499 HydrophobicContact CG1-CD1 4.22Å; I376-Y499 HydrophobicContact CG1-CD2 3.78Å; I376-Y499 HydrophobicContact CG1-CE1 4.4Å; I376-Y499 HydrophobicContact CG1-CE2 3.99Å; I376-Y499 HydrophobicContact CG1-CG 3.9Å; I376-Y499 HydrophobicContact CG2-CE2 4.26Å; I376-V503 HydrophobicContact CG1-CG1 4Å; I376-V503 HydrophobicContact CG1-CG2 4.27Å
377	A	98.4	Very high	96	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-59.3	-49.5	176.5	0	0	0	0	0	110.8	I366 G373 A374 G375 V379 T380 V381 T387 L389 V404 L429	I366-A377 HydrophobicContact CD1-CB 3.62Å; I366-A377 VanDerWaalsContact CD1-N 3.26Å; G373-A377 WeakPolarHBondContact O-CB 3.24Å; G373-A377 PolarHBondContact O-N 3.44Å; A374-A377 WeakPolarHBondContact O-CB 3.49Å; A374-A377 PolarHBondContact O-N 3.36Å; G375-A377 VanDerWaalsContact C-N 3.35Å; A377-V379 PolarHBondContact O-N 3.36Å; A377-T380 PolarHBondContact O-N 2.66Å; A377-T380 VanDerWaalsContact O-N 3.09Å; A377-V381 WeakPolarHBondContact O-CG2 3.33Å; A377-V381 PolarHBondContact O-N 2.88Å; A377-T387 HydrophobicContact CB-CG2 4.43Å; A377-L389 HydrophobicContact CB-CD1 4.35Å; A377-V404 HydrophobicContact CB-CG2 3.94Å; A377-L429 HydrophobicContact CB-CD1 4Å
378	Q	97.5	Very high	96	Very high	9 Å²	9	23 Å²	23	4%	0.042	14%	0.14	C	C	.	.	H	α-helix	trans	-58.4	-47.2	179.9	-173.3	-172.3	-26.4	0	0	112.7	A374 G375 I376 T380 D382 V404	A374-Q378 WeakPolarHBondContact O-CB 3.42Å; A374-Q378 PolarHBondContact O-N 2.8Å; G375-Q378 PolarHBondContact O-N 2.95Å; I376-Q378 PolarHBondContact O-N 3.45Å; Q378-T380 PolarHBondContact O-N 3.38Å; Q378-D382 VanDerWaalsContact O-CB 3.28Å; Q378-D382 WeakPolarHBondContact O-CB 3.28Å; Q378-D382 PolarHBondContact O-N 3.17Å; Q378-V404 HydrophobicContact CB-CB 4.44Å; Q378-V404 HydrophobicContact CB-CG1 4.12Å; Q378-V404 HydrophobicContact CB-CG2 4.15Å; Q378-V404 HydrophobicContact CG-CG1 4.33Å
379	V	97.4	Very high	96.1	Very high	16 Å²	16	22.5 Å²	22.5	10%	0.097	14%	0.135	C	C	.	.	H	α-helix	trans	-71.5	-15.4	-179.6	-60.4	0	0	0	0	113	G375 I376 A377 K383 V503 Q532	G375-V379 WeakPolarHBondContact O-CG2 3.44Å; G375-V379 PolarHBondContact O-N 2.88Å; G375-V379 VanDerWaalsContact O-N 3.14Å; I376-V379 VanDerWaalsContact O-CG2 3.28Å; I376-V379 WeakPolarHBondContact O-CG2 3.31Å; I376-V379 PolarHBondContact O-N 2.85Å; A377-V379 PolarHBondContact O-N 3.36Å; V379-K383 WeakPolarHBondContact O-CG 3.1Å; V379-V503 HydrophobicContact CG1-CG1 4.39Å; V379-V503 HydrophobicContact CG2-CG1 4.05Å; V379-Q532 HydrophobicContact CB-CB 4.47Å; V379-Q532 HydrophobicContact CG2-CB 4.24Å; V379-Q532 HydrophobicContact CG2-CG 4.15Å
380	T	98.2	Very high	96.2	Very high	3 Å²	3	23.5 Å²	23.5	2%	0.018	14%	0.139	C	C	.	.	H	α-helix	trans	-89	-50.4	178.1	-56.5	0	0	0	0	111.4	L364 I376 A377 Q378 D382 K383 V385 T387 Q532	L364-T380 HydrophobicContact CB-CG2 4.29Å; L364-T380 HydrophobicContact CD1-CG2 4.05Å; L364-T380 HydrophobicContact CD2-CG2 4.31Å; L364-T380 HydrophobicContact CG-CG2 4.46Å; I376-T380 WeakPolarHBondContact O-CB 3.23Å; I376-T380 PolarHBondContact O-N 3.12Å; I376-T380 VanDerWaalsContact O-N 3.13Å; I376-T380 PolarHBondContact O-OG1 3.15Å; A377-T380 PolarHBondContact O-N 2.66Å; A377-T380 VanDerWaalsContact O-N 3.09Å; Q378-T380 PolarHBondContact O-N 3.38Å; T380-D382 VanDerWaalsContact C-N 3.32Å; T380-D382 PolarHBondContact O-N 3.01Å; T380-K383 PolarHBondContact O-N 2.98Å; T380-V385 HydrophobicContact CG2-CB 3.64Å; T380-V385 HydrophobicContact CG2-CG1 3.66Å; T380-V385 HydrophobicContact CG2-CG2 4.35Å; T380-T387 VanDerWaalsContact CG2-OG1 3.27Å; T380-T387 WeakPolarHBondContact CG2-OG1 3.43Å; T380-Q532 PolarHBondContact OG1-NE2 3.36Å
381	V	97.4	Very high	96.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-66.3	-33.2	-180	-60.9	0	0	0	0	112.6	A377 K383 G384 T387 V404 I425 N428 L429	A377-V381 WeakPolarHBondContact O-CG2 3.33Å; A377-V381 PolarHBondContact O-N 2.88Å; V381-K383 PolarHBondContact O-N 3.37Å; V381-G384 PolarHBondContact O-N 3.05Å; V381-T387 HydrophobicContact CG1-CG2 4.41Å; V381-T387 WeakPolarHBondContact CG1-OG1 3.43Å; V381-V404 HydrophobicContact CG2-CG1 4.07Å; V381-I425 HydrophobicContact CB-CG2 4.18Å; V381-I425 HydrophobicContact CG2-CG2 3.89Å; V381-N428 HydrophobicContact CB-CB 4.44Å; V381-N428 HydrophobicContact CG1-CB 4.43Å; V381-L429 HydrophobicContact CG1-CB 4.09Å; V381-L429 HydrophobicContact CG1-CD1 4.07Å
382	D	91.4	Very high	96.9	Very high	35 Å²	35	22.8 Å²	22.8	19%	0.187	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-13	173.5	-177	68.9	0	0	0	113.3	Q378 T380 K411	Q378-D382 VanDerWaalsContact O-CB 3.28Å; Q378-D382 WeakPolarHBondContact O-CB 3.28Å; Q378-D382 PolarHBondContact O-N 3.17Å; T380-D382 VanDerWaalsContact C-N 3.32Å; T380-D382 PolarHBondContact O-N 3.01Å; D382-K411 IonicContact OD1-NZ 2.89Å; D382-K411 PolarHBondContact OD1-NZ 3.16Å; D382-K411 IonicContact OD2-NZ 3.04Å; D382-K411 PolarHBondContact OD2-NZ 3.38Å
383	K	94.4	Very high	97	Very high	83 Å²	83	23.7 Å²	23.7	36%	0.361	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	12.5	179.1	-52.6	-63	179.2	-132	0	112.9	V379 T380 V381 V385 K531	V379-K383 WeakPolarHBondContact O-CG 3.1Å; T380-K383 PolarHBondContact O-N 2.98Å; V381-K383 PolarHBondContact O-N 3.37Å; K383-V385 VanDerWaalsContact C-N 3.32Å; K383-V385 PolarHBondContact O-N 3.36Å; K383-K531 HydrophobicContact CB-CG 4.11Å; K383-K531 VanDerWaalsContact CD-O 3.29Å; K383-K531 WeakPolarHBondContact CD-O 3.5Å; K383-K531 WeakPolarHBondContact CE-O 3.38Å; K383-K531 VanDerWaalsContact CG-O 3.24Å; K383-K531 WeakPolarHBondContact CG-O 3.19Å; K383-K531 WeakPolarHBondContact O-CE 3.37Å
384	G	95.2	Very high	97	Very high	51 Å²	51	28 Å²	28	53%	0.526	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	28.1	177.7	0	0	0	0	0	113.8	V381	V381-G384 PolarHBondContact O-N 3.05Å
385	V	97	Very high	97	Very high	9 Å²	9	33.8 Å²	33.8	6%	0.055	19%	0.192	C	C	.	.			trans	-92.2	127.2	171.1	175.8	0	0	0	0	108.1	L364 T380 K383 T387 K531	L364-V385 HydrophobicContact CB-CG1 3.9Å; T380-V385 HydrophobicContact CG2-CB 3.64Å; T380-V385 HydrophobicContact CG2-CG1 3.66Å; T380-V385 HydrophobicContact CG2-CG2 4.35Å; K383-V385 VanDerWaalsContact C-N 3.32Å; K383-V385 PolarHBondContact O-N 3.36Å; V385-T387 PolarHBondContact O-N 3.42Å; V385-T387 PolarHBondContact O-OG1 3.21Å; V385-K531 HydrophobicContact CG2-CD 3.94Å; V385-K531 VanDerWaalsContact CG2-NZ 3.25Å
386	H	98.2	Very high	96.9	Very high	72 Å²	72	34 Å²	34	33%	0.333	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	122.6	175.6	-177.8	61.3	0	0	0	108.6	K362 T363 L364 N428 T430	K362-H386 PolarHBondContact O-N 3.16Å; T363-H386 WeakPolarHBondContact CA-O 3.28Å; L364-H386 PolarHBondContact N-O 3.21Å; H386-N428 PolarHBondContact ND1-O 3.42Å; H386-T430 PolarHBondContact CE1-OG1 3.34Å
387	T	98.6	Very high	96.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	124.4	-169.4	-53.9	0	0	0	0	110.9	L364 I366 A377 T380 V381 V385 N428 L429 T430	L364-T387 HydrophobicContact CD2-CG2 4.26Å; L364-T387 CarbonylContact O-C 3.36Å; L364-T387 WeakPolarHBondContact O-CA 3.21Å; I366-T387 HydrophobicContact CD1-CG2 3.6Å; I366-T387 HydrophobicContact CG1-CG2 4.08Å; A377-T387 HydrophobicContact CB-CG2 4.43Å; T380-T387 VanDerWaalsContact CG2-OG1 3.27Å; T380-T387 WeakPolarHBondContact CG2-OG1 3.43Å; V381-T387 HydrophobicContact CG1-CG2 4.41Å; V381-T387 WeakPolarHBondContact CG1-OG1 3.43Å; V385-T387 PolarHBondContact O-N 3.42Å; V385-T387 PolarHBondContact O-OG1 3.21Å; T387-N428 PolarHBondContact N-O 3.2Å; T387-L429 HydrophobicContact CG2-CD1 4.2Å; T387-L429 WeakPolarHBondContact O-CA 3.17Å; T387-T430 PolarHBondContact O-N 2.83Å
388	I	98.7	Very high	96.8	Very high	5 Å²	5	37.1 Å²	37.1	3%	0.026	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	124.4	171.5	-57.1	173.6	0	0	0	107.9	T363 L364 A365 I366 T430 Q432 F438	T363-I388 HydrophobicContact CG2-CD1 4.26Å; L364-I388 PolarHBondContact O-N 3.44Å; A365-I388 CarbonylContact C-O 3.57Å; A365-I388 WeakPolarHBondContact CA-O 3.43Å; A365-I388 HydrophobicContact CB-CB 4.13Å; I366-I388 PolarHBondContact N-O 3.41Å; I388-T430 CarbonylContact C-O 3.59Å; I388-T430 WeakPolarHBondContact CA-O 3.5Å; I388-Q432 HydrophobicContact CG2-CG 3.71Å; I388-F438 HydrophobicContact CD1-CD2 4.46Å; I388-F438 HydrophobicContact CG2-CE2 3.86Å
389	L	98.6	Very high	96.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	111.2	174.8	-176.7	63.3	0	0	0	108.9	I366 A369 A377 L397 E401 L429 T430 G431 Q432	I366-L389 HydrophobicContact CB-CD1 4.03Å; I366-L389 HydrophobicContact CG2-CD1 4.02Å; A369-L389 HydrophobicContact CB-CD1 4.12Å; A369-L389 HydrophobicContact CB-CD2 3.94Å; A369-L389 HydrophobicContact CB-CG 3.94Å; A377-L389 HydrophobicContact CB-CD1 4.35Å; L389-L397 HydrophobicContact CB-CD1 4.48Å; L389-L397 HydrophobicContact CD2-CD1 4.3Å; L389-L397 HydrophobicContact CG-CD1 4.11Å; L389-L397 VanDerWaalsContact O-CD1 3.32Å; L389-L397 WeakPolarHBondContact O-CD1 3.44Å; L389-E401 HydrophobicContact CD2-CG 4.37Å; L389-L429 HydrophobicContact CB-CD1 3.92Å; L389-T430 PolarHBondContact N-O 2.96Å; L389-G431 WeakPolarHBondContact O-CA 3.14Å; L389-Q432 PolarHBondContact O-N 2.96Å
390	K	98.4	Very high	96.6	Very high	23 Å²	23	44 Å²	44	10%	0.1	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	134	-178.4	-174.3	-92.4	177.2	168.5	0	111.1	I366 L367 G368 Q432 L433 Y435 F438	I366-K390 PolarHBondContact O-N 3.19Å; L367-K390 HydrophobicContact CD2-CB 4.28Å; L367-K390 HydrophobicContact CD2-CD 4.05Å; G368-K390 WeakPolarHBondContact CA-O 3.45Å; G368-K390 PolarHBondContact N-O 3.31Å; K390-Q432 VanDerWaalsContact CA-O 3.29Å; K390-Q432 WeakPolarHBondContact CA-O 3.28Å; K390-L433 WeakPolarHBondContact CE-O 3.36Å; K390-Y435 HydrophobicContact CD-CE1 4.29Å; K390-Y435 PolarHBondContact NZ-OH 2.97Å; K390-F438 HydrophobicContact CB-CE2 4.49Å; K390-F438 HydrophobicContact CB-CZ 4.21Å
391	D	97.9	Very high	96.6	Very high	21 Å²	21	47.2 Å²	47.2	11%	0.112	26%	0.255	C	S	.	.			trans	-130.1	177.1	169.4	-155.1	-85.8	0	0	0	110.7	A369 T393 L397 Q432 L433	A369-D391 WeakPolarHBondContact CA-OD2 3.39Å; A369-D391 HydrophobicContact CB-CB 3.8Å; A369-D391 WeakPolarHBondContact CB-OD2 3.33Å; A369-D391 PolarHBondContact N-OD2 2.84Å; D391-T393 PolarHBondContact OD1-N 3.42Å; D391-T393 VanDerWaalsContact OD1-N 3.12Å; D391-T393 PolarHBondContact OD1-OG1 3.04Å; D391-L397 HydrophobicContact CB-CB 3.97Å; D391-L397 HydrophobicContact CB-CD1 4.46Å; D391-Q432 PolarHBondContact N-O 2.88Å; D391-L433 WeakPolarHBondContact O-CA 3.35Å
392	T	95.3	Very high	96.6	Very high	112 Å²	112	52.6 Å²	52.6	69%	0.687	28%	0.28	S	S	*	.	S	Bend	trans	-93.9	-21.5	175.4	55.5	0	0	0	0	112.4
393	T	96.3	Very high	96.8	Very high	58 Å²	58	53.5 Å²	53.5	36%	0.356	28%	0.283	S	S	.	.	S	Bend	trans	-127.7	147.5	-176.1	60	0	0	0	0	111.3	D391 E395 G396 L397	D391-T393 PolarHBondContact OD1-N 3.42Å; D391-T393 VanDerWaalsContact OD1-N 3.12Å; D391-T393 PolarHBondContact OD1-OG1 3.04Å; T393-E395 PolarHBondContact O-N 2.92Å; T393-G396 PolarHBondContact O-N 3.31Å; T393-G396 WeakPolarHBondContact OG1-CA 3.4Å; T393-G396 PolarHBondContact OG1-N 2.85Å; T393-L397 WeakPolarHBondContact O-CB 3.1Å; T393-L397 PolarHBondContact O-N 3.21Å
394	V	97.2	Very high	97	Very high	91 Å²	91	49.5 Å²	49.5	55%	0.552	27%	0.266	S	S	*	.	H	α-helix	trans	-61.4	-39.2	175.9	178.8	0	0	0	0	110	L397 A398 L433	V394-L397 PolarHBondContact O-N 3.36Å; V394-A398 VanDerWaalsContact O-CB 3.28Å; V394-A398 WeakPolarHBondContact O-CB 3.45Å; V394-A398 PolarHBondContact O-N 3.09Å; V394-L433 HydrophobicContact CG2-CD1 3.8Å
395	E	96.3	Very high	97.1	Very high	122 Å²	122	49.8 Å²	49.8	57%	0.57	25%	0.253	S	S	*	.	H	α-helix	trans	-67.1	-41.2	-179.9	-59.6	72.3	-158	0	0	111.6	T393 R399	T393-E395 PolarHBondContact O-N 2.92Å; E395-R399 WeakPolarHBondContact O-CG 3.27Å; E395-R399 PolarHBondContact O-N 3.01Å
396	G	93.7	Very high	97.1	Very high	3 Å²	3	55.3 Å²	55.3	3%	0.031	28%	0.276	C	S	.	.	H	α-helix	trans	-60.7	-50.4	173.6	0	0	0	0	0	111.6	A369 T393 R399 G400	A369-G396 WeakPolarHBondContact CB-O 3.34Å; T393-G396 PolarHBondContact O-N 3.31Å; T393-G396 WeakPolarHBondContact OG1-CA 3.4Å; T393-G396 PolarHBondContact OG1-N 2.85Å; G396-R399 PolarHBondContact O-N 3.49Å; G396-G400 PolarHBondContact O-N 3.2Å
397	L	97.6	Very high	96.9	Very high	17 Å²	17	52.5 Å²	52.5	9%	0.089	27%	0.267	C	S	.	.	H	α-helix	trans	-58.1	-51.6	178.1	-176.2	61.6	0	0	0	112.3	A369 L389 D391 T393 V394 R399 G400 E401 L433	A369-L397 HydrophobicContact CB-CD1 4.28Å; L389-L397 HydrophobicContact CB-CD1 4.48Å; L389-L397 HydrophobicContact CD2-CD1 4.3Å; L389-L397 HydrophobicContact CG-CD1 4.11Å; L389-L397 VanDerWaalsContact O-CD1 3.32Å; L389-L397 WeakPolarHBondContact O-CD1 3.44Å; D391-L397 HydrophobicContact CB-CB 3.97Å; D391-L397 HydrophobicContact CB-CD1 4.46Å; T393-L397 WeakPolarHBondContact O-CB 3.1Å; T393-L397 PolarHBondContact O-N 3.21Å; V394-L397 PolarHBondContact O-N 3.36Å; L397-R399 VanDerWaalsContact C-N 3.28Å; L397-R399 PolarHBondContact O-N 2.93Å; L397-G400 PolarHBondContact O-N 2.8Å; L397-E401 HydrophobicContact CD1-CG 4.42Å; L397-E401 HydrophobicContact CG-CG 4.5Å; L397-E401 PolarHBondContact O-N 2.64Å; L397-L433 HydrophobicContact CB-CD2 4.29Å; L397-L433 HydrophobicContact CD2-CD2 4.06Å
398	A	97.4	Very high	96.8	Very high	49 Å²	49	52.5 Å²	52.5	41%	0.405	27%	0.267	S	S	.	.	H	α-helix	trans	-60.3	-36.7	-178.4	0	0	0	0	0	112.5	V394 Q402	V394-A398 VanDerWaalsContact O-CB 3.28Å; V394-A398 WeakPolarHBondContact O-CB 3.45Å; V394-A398 PolarHBondContact O-N 3.09Å; A398-Q402 VanDerWaalsContact O-CB 3.23Å; A398-Q402 WeakPolarHBondContact O-CB 3.49Å; A398-Q402 PolarHBondContact O-N 3.16Å
399	R	95.2	Very high	96.7	Very high	171 Å²	171	53.9 Å²	53.9	65%	0.645	28%	0.275	S	S	*	.	H	α-helix	trans	-63.2	-43.5	174.1	-75.5	-172.5	-56.7	-111.9	2.6	111.8	E395 G396 L397 Q402 Q403	E395-R399 WeakPolarHBondContact O-CG 3.27Å; E395-R399 PolarHBondContact O-N 3.01Å; G396-R399 PolarHBondContact O-N 3.49Å; L397-R399 VanDerWaalsContact C-N 3.28Å; L397-R399 PolarHBondContact O-N 2.93Å; R399-Q402 PolarHBondContact O-N 3.21Å; R399-Q403 PolarHBondContact O-N 3.14Å
400	G	95.8	Very high	96.6	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-65.8	-46.9	178.9	0	0	0	0	0	112.5	A369 G396 L397 Q402 Q403 V404	A369-G400 WeakPolarHBondContact O-CA 3.28Å; A369-G400 PolarHBondContact O-N 2.81Å; G396-G400 PolarHBondContact O-N 3.2Å; L397-G400 PolarHBondContact O-N 2.8Å; G400-Q402 VanDerWaalsContact C-N 3.31Å; G400-Q402 PolarHBondContact O-N 3.41Å; G400-Q403 WeakPolarHBondContact O-CB 3.39Å; G400-Q403 PolarHBondContact O-N 3.3Å; G400-Q403 VanDerWaalsContact O-N 3.14Å; G400-V404 WeakPolarHBondContact O-CG2 3.35Å; G400-V404 PolarHBondContact O-N 3.12Å
401	E	97.9	Very high	96.3	Very high	70 Å²	70	58.1 Å²	58.1	33%	0.327	30%	0.296	S	S	.	.	H	α-helix	trans	-58.7	-43.4	175.3	-68.7	-176.9	140.5	0	0	111.8	L389 L397 Q403 V404 F405 L429 G431	L389-E401 HydrophobicContact CD2-CG 4.37Å; L397-E401 HydrophobicContact CD1-CG 4.42Å; L397-E401 HydrophobicContact CG-CG 4.5Å; L397-E401 PolarHBondContact O-N 2.64Å; E401-Q403 VanDerWaalsContact C-N 3.31Å; E401-Q403 PolarHBondContact O-N 3.4Å; E401-V404 PolarHBondContact O-N 3.47Å; E401-F405 WeakPolarHBondContact O-CB 3.33Å; E401-F405 PolarHBondContact O-N 2.86Å; E401-L429 HydrophobicContact CG-CD2 4.34Å; E401-G431 WeakPolarHBondContact OE1-CA 3.32Å
402	Q	97.4	Very high	96.1	Very high	112 Å²	112	58.5 Å²	58.5	52%	0.523	30%	0.298	S	S	.	.	H	α-helix	trans	-63.8	-35.9	177.3	-178.5	59.3	12.7	0	0	112.5	A398 R399 G400 K406	A398-Q402 VanDerWaalsContact O-CB 3.23Å; A398-Q402 WeakPolarHBondContact O-CB 3.49Å; A398-Q402 PolarHBondContact O-N 3.16Å; R399-Q402 PolarHBondContact O-N 3.21Å; G400-Q402 VanDerWaalsContact C-N 3.31Å; G400-Q402 PolarHBondContact O-N 3.41Å; Q402-K406 WeakPolarHBondContact O-CB 3.43Å; Q402-K406 PolarHBondContact O-N 3.42Å
403	Q	95.7	Very high	96.1	Very high	54 Å²	54	60 Å²	60	25%	0.252	30%	0.295	S	S	.	.	H	α-helix	trans	-64.8	-45.8	174.8	178.9	178.9	-24.7	0	0	111.2	L371 A374 R399 G400 E401 K406 G407	L371-Q403 PolarHBondContact O-NE2 3.38Å; A374-Q403 HydrophobicContact CB-CB 4.04Å; A374-Q403 HydrophobicContact CB-CG 4.17Å; R399-Q403 PolarHBondContact O-N 3.14Å; G400-Q403 WeakPolarHBondContact O-CB 3.39Å; G400-Q403 PolarHBondContact O-N 3.3Å; G400-Q403 VanDerWaalsContact O-N 3.14Å; E401-Q403 VanDerWaalsContact C-N 3.31Å; E401-Q403 PolarHBondContact O-N 3.4Å; Q403-K406 PolarHBondContact O-N 2.9Å; Q403-G407 PolarHBondContact O-N 2.96Å
404	V	97.7	Very high	95.9	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-59.4	-49.7	175.9	178.7	0	0	0	0	110.3	A374 A377 Q378 V381 G400 E401 K406 G407 L408 L426 L429	A374-V404 HydrophobicContact CB-CG2 4.42Å; A374-V404 WeakPolarHBondContact O-CG2 3.14Å; A377-V404 HydrophobicContact CB-CG2 3.94Å; Q378-V404 HydrophobicContact CB-CB 4.44Å; Q378-V404 HydrophobicContact CB-CG1 4.12Å; Q378-V404 HydrophobicContact CB-CG2 4.15Å; Q378-V404 HydrophobicContact CG-CG1 4.33Å; V381-V404 HydrophobicContact CG2-CG1 4.07Å; G400-V404 WeakPolarHBondContact O-CG2 3.35Å; G400-V404 PolarHBondContact O-N 3.12Å; E401-V404 PolarHBondContact O-N 3.47Å; V404-K406 PolarHBondContact O-N 3.38Å; V404-G407 PolarHBondContact O-N 3.01Å; V404-L408 HydrophobicContact CG1-CD1 4.17Å; V404-L408 WeakPolarHBondContact O-CG 3.32Å; V404-L408 PolarHBondContact O-N 3.08Å; V404-L426 HydrophobicContact CG1-CD1 4.23Å; V404-L429 HydrophobicContact CB-CD2 4.08Å; V404-L429 HydrophobicContact CG1-CD2 4.05Å; V404-L429 HydrophobicContact CG2-CD2 4.08Å
405	F	97.9	Very high	95.5	Very high	56 Å²	56	69.5 Å²	69.5	25%	0.246	33%	0.325	C	S	.	.	H	α-helix	trans	-57.4	-49.2	177.7	174.5	-101.1	0	0	0	112.1	E401 G407 L408 N409 L426	E401-F405 WeakPolarHBondContact O-CB 3.33Å; E401-F405 PolarHBondContact O-N 2.86Å; F405-G407 VanDerWaalsContact C-N 3.32Å; F405-G407 PolarHBondContact O-N 3.12Å; F405-L408 PolarHBondContact O-N 3.49Å; F405-N409 HydrophobicContact CE1-CB 4.4Å; F405-N409 VanDerWaalsContact O-CB 3.29Å; F405-N409 WeakPolarHBondContact O-CB 3.5Å; F405-N409 PolarHBondContact O-N 3.24Å; F405-L426 HydrophobicContact CB-CD1 4.44Å; F405-L426 HydrophobicContact CD2-CD2 3.83Å
406	K	96.8	Very high	95	Very high	125 Å²	125	67.2 Å²	67.2	54%	0.543	32%	0.322	S	S	.	.	H	α-helix	trans	-59.3	-44.4	179.3	-178.3	-179.7	178.4	-178.8	0	111.3	Q402 Q403 V404 L408 N409 D410	Q402-K406 WeakPolarHBondContact O-CB 3.43Å; Q402-K406 PolarHBondContact O-N 3.42Å; Q403-K406 PolarHBondContact O-N 2.9Å; V404-K406 PolarHBondContact O-N 3.38Å; K406-L408 PolarHBondContact O-N 2.96Å; K406-N409 PolarHBondContact O-N 2.75Å; K406-D410 WeakPolarHBondContact O-CB 3.41Å; K406-D410 PolarHBondContact O-N 3.1Å
407	G	95.6	Very high	94.9	Very high	14 Å²	14	68 Å²	68	14%	0.144	33%	0.325	C	S	.	.	H	α-helix	trans	-60.4	-43.4	177.9	0	0	0	0	0	112.9	Q403 V404 F405 K411	Q403-G407 PolarHBondContact O-N 2.96Å; V404-G407 PolarHBondContact O-N 3.01Å; F405-G407 VanDerWaalsContact C-N 3.32Å; F405-G407 PolarHBondContact O-N 3.12Å; G407-K411 PolarHBondContact O-N 3.41Å
408	L	96.1	Very high	94.8	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-67.9	-42.8	174.7	-62.4	173.7	0	0	0	111.7	V404 F405 K406 D410 K411 T412 I417 R422 I425 L426	V404-L408 HydrophobicContact CG1-CD1 4.17Å; V404-L408 WeakPolarHBondContact O-CG 3.32Å; V404-L408 PolarHBondContact O-N 3.08Å; F405-L408 PolarHBondContact O-N 3.49Å; K406-L408 PolarHBondContact O-N 2.96Å; L408-D410 VanDerWaalsContact C-N 3.29Å; L408-D410 PolarHBondContact O-N 3.13Å; L408-K411 WeakPolarHBondContact O-CA 3.38Å; L408-K411 WeakPolarHBondContact O-CB 3.37Å; L408-K411 PolarHBondContact O-N 2.72Å; L408-T412 PolarHBondContact O-N 2.77Å; L408-T412 PolarHBondContact O-OG1 3.38Å; L408-I417 HydrophobicContact CB-CD1 4.47Å; L408-R422 HydrophobicContact CB-CG 3.81Å; L408-I425 HydrophobicContact CD1-CB 4.31Å; L408-I425 HydrophobicContact CD1-CG2 3.7Å; L408-I425 HydrophobicContact CD2-CG2 3.93Å; L408-I425 HydrophobicContact CG-CG2 4.49Å; L408-L426 HydrophobicContact CD1-CB 4.42Å; L408-L426 HydrophobicContact CD1-CD1 4.35Å
409	N	97.1	Very high	94.8	Very high	34 Å²	34	71.7 Å²	71.7	18%	0.182	35%	0.346	C	S	.	.	H	α-helix	trans	-63.1	-35	178.1	-168.9	49.7	0	0	0	112.5	F405 K406 K411 T412 K413 R422	F405-N409 HydrophobicContact CE1-CB 4.4Å; F405-N409 VanDerWaalsContact O-CB 3.29Å; F405-N409 WeakPolarHBondContact O-CB 3.5Å; F405-N409 PolarHBondContact O-N 3.24Å; K406-N409 PolarHBondContact O-N 2.75Å; N409-K411 VanDerWaalsContact C-N 3.34Å; N409-T412 WeakPolarHBondContact O-CB 3.48Å; N409-T412 PolarHBondContact O-N 3.02Å; N409-K413 WeakPolarHBondContact O-CG 3.31Å; N409-K413 PolarHBondContact O-N 2.99Å; N409-R422 PolarHBondContact OD1-NH1 3.27Å
410	D	95.4	Very high	94.9	Very high	55 Å²	55	70.9 Å²	70.9	29%	0.294	35%	0.348	S	S	.	.	H	α-helix	trans	-67.8	-33.3	173.7	-74.9	-14.5	0	0	0	111.9	K406 L408 T412 K413 K414	K406-D410 WeakPolarHBondContact O-CB 3.41Å; K406-D410 PolarHBondContact O-N 3.1Å; L408-D410 VanDerWaalsContact C-N 3.29Å; L408-D410 PolarHBondContact O-N 3.13Å; D410-T412 VanDerWaalsContact C-N 3.34Å; D410-K413 PolarHBondContact O-N 2.81Å; D410-K413 IonicContact OD1-NZ 3.59Å; D410-K414 WeakPolarHBondContact O-CB 3.35Å; D410-K414 VanDerWaalsContact O-CG 3.26Å; D410-K414 WeakPolarHBondContact O-CG 3.32Å; D410-K414 PolarHBondContact O-N 3.5Å
411	K	92.6	Very high	94.9	Very high	57 Å²	57	73.7 Å²	73.7	25%	0.248	36%	0.361	C	S	.	.	H	α-helix	trans	-64.9	-38	169.2	-69.6	179.9	176.7	177.3	0	111.5	D382 G407 L408 N409 K414 K415 S416 I417	D382-K411 IonicContact OD1-NZ 2.89Å; D382-K411 PolarHBondContact OD1-NZ 3.16Å; D382-K411 IonicContact OD2-NZ 3.04Å; D382-K411 PolarHBondContact OD2-NZ 3.38Å; G407-K411 PolarHBondContact O-N 3.41Å; L408-K411 WeakPolarHBondContact O-CA 3.38Å; L408-K411 WeakPolarHBondContact O-CB 3.37Å; L408-K411 PolarHBondContact O-N 2.72Å; N409-K411 VanDerWaalsContact C-N 3.34Å; K411-K414 CarbonylContact O-C 3.57Å; K411-K414 PolarHBondContact O-N 3.17Å; K411-K415 PolarHBondContact O-N 2.79Å; K411-S416 WeakPolarHBondContact O-CB 3.27Å; K411-S416 PolarHBondContact O-N 2.87Å; K411-I417 HydrophobicContact CB-CD1 3.96Å; K411-I417 HydrophobicContact CB-CG1 3.88Å
412	T	94.5	Very high	94.8	Very high	28 Å²	28	72.5 Å²	72.5	17%	0.172	35%	0.353	C	S	.	.	H	α-helix	trans	-62.7	-47.2	174.2	-50.8	0	0	0	0	111.5	L408 N409 D410 K414 K415 I417	L408-T412 PolarHBondContact O-N 2.77Å; L408-T412 PolarHBondContact O-OG1 3.38Å; N409-T412 WeakPolarHBondContact O-CB 3.48Å; N409-T412 PolarHBondContact O-N 3.02Å; D410-T412 VanDerWaalsContact C-N 3.34Å; T412-K414 VanDerWaalsContact C-N 3.26Å; T412-K414 PolarHBondContact O-N 3.04Å; T412-K415 WeakPolarHBondContact O-CA 3.18Å; T412-K415 PolarHBondContact O-N 2.9Å; T412-I417 WeakPolarHBondContact CA-O 3.32Å
413	K	94.9	Very high	94.8	Very high	143 Å²	143	70.8 Å²	70.8	62%	0.622	35%	0.348	S	S	*	.	H	α-helix	trans	-59.8	-36.2	175.6	-70	173.6	-173.8	168.1	0	112.6	N409 D410 K415	N409-K413 WeakPolarHBondContact O-CG 3.31Å; N409-K413 PolarHBondContact O-N 2.99Å; D410-K413 PolarHBondContact O-N 2.81Å; D410-K413 IonicContact OD1-NZ 3.59Å; K413-K415 PolarHBondContact O-N 3.31Å
414	K	90.6	Very high	94.9	Very high	159 Å²	159	71 Å²	71	69%	0.691	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	5	173.7	-69	171.4	-175.8	173	0	113.5	D410 K411 T412 S416	D410-K414 WeakPolarHBondContact O-CB 3.35Å; D410-K414 VanDerWaalsContact O-CG 3.26Å; D410-K414 WeakPolarHBondContact O-CG 3.32Å; D410-K414 PolarHBondContact O-N 3.5Å; K411-K414 CarbonylContact O-C 3.57Å; K411-K414 PolarHBondContact O-N 3.17Å; T412-K414 VanDerWaalsContact C-N 3.26Å; T412-K414 PolarHBondContact O-N 3.04Å; K414-S416 PolarHBondContact O-N 3.02Å
415	K	88.6	Confident	94.9	Very high	191 Å²	191	72.2 Å²	72.2	83%	0.83	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	29	-178.2	-55.2	-175.3	177	-172.3	0	113.7	K411 T412 K413	K411-K415 PolarHBondContact O-N 2.79Å; T412-K415 WeakPolarHBondContact O-CA 3.18Å; T412-K415 PolarHBondContact O-N 2.9Å; K413-K415 PolarHBondContact O-N 3.31Å
416	S	87.1	Confident	94.8	Very high	73 Å²	73	71.9 Å²	71.9	51%	0.51	36%	0.362	S	S	.	.	S	Bend	trans	-87	-27.2	177.4	-60	0	0	0	0	112.4	K411 K414	K411-S416 WeakPolarHBondContact O-CB 3.27Å; K411-S416 PolarHBondContact O-N 2.87Å; K414-S416 PolarHBondContact O-N 3.02Å
417	I	91.8	Very high	94.8	Very high	21 Å²	21	69.8 Å²	69.8	11%	0.108	36%	0.363	C	S	.	.	S	Bend	trans	-138.5	160.8	172.7	63.3	177	0	0	0	109.7	L408 K411 T412 E421 R422	L408-I417 HydrophobicContact CB-CD1 4.47Å; K411-I417 HydrophobicContact CB-CD1 3.96Å; K411-I417 HydrophobicContact CB-CG1 3.88Å; T412-I417 WeakPolarHBondContact CA-O 3.32Å; I417-E421 WeakPolarHBondContact CA-OE2 3.32Å; I417-E421 HydrophobicContact CB-CB 4.08Å; I417-E421 WeakPolarHBondContact CB-OE2 3.4Å; I417-R422 HydrophobicContact CD1-CB 4.02Å
418	T	94.8	Very high	94.9	Very high	72 Å²	72	71.3 Å²	71.3	44%	0.442	37%	0.368	S	S	.	.			trans	-79.9	169.3	172.8	70.6	0	0	0	0	111.7	F420 E421 R422	T418-F420 VanDerWaalsContact C-N 3.34Å; T418-E421 PolarHBondContact N-OE2 2.91Å; T418-E421 WeakPolarHBondContact OG1-CB 3.35Å; T418-E421 WeakPolarHBondContact OG1-CG 3.13Å; T418-E421 PolarHBondContact OG1-N 2.5Å; T418-R422 PolarHBondContact O-N 2.97Å; T418-R422 VanDerWaalsContact O-N 3.09Å
419	S	96.9	Very high	95	Very high	70 Å²	70	72.1 Å²	72.1	49%	0.49	37%	0.372	S	S	.	.	H	α-helix	trans	-64.4	-39.7	171.1	47.2	0	0	0	0	111.7	R422 D423	S419-R422 WeakPolarHBondContact O-CB 3.36Å; S419-R422 PolarHBondContact O-N 2.92Å; S419-D423 PolarHBondContact O-N 3.01Å; S419-D423 VanDerWaalsContact O-N 3.08Å
420	F	97.4	Very high	95.1	Very high	155 Å²	155	73.2 Å²	73.2	68%	0.68	38%	0.38	S	S	*	.	H	α-helix	trans	-65.7	-43.9	176.2	-177.3	-95.6	0	0	0	112.1	T418 R422 D423 S424	T418-F420 VanDerWaalsContact C-N 3.34Å; F420-R422 VanDerWaalsContact C-N 3.29Å; F420-R422 PolarHBondContact O-N 3.26Å; F420-D423 PolarHBondContact O-N 2.9Å; F420-S424 WeakPolarHBondContact O-CB 3.07Å; F420-S424 PolarHBondContact O-N 3.18Å
421	E	95.8	Very high	95.2	Very high	59 Å²	59	71.8 Å²	71.8	28%	0.276	38%	0.378	S	S	.	.	H	α-helix	trans	-59	-41	174.1	-77	176	139.9	0	0	111	K165 I417 T418 I425	K165-E421 IonicContact NZ-OE1 3.87Å; K165-E421 PolarHBondContact NZ-OE1 2.79Å; K165-E421 IonicContact NZ-OE2 3.58Å; I417-E421 WeakPolarHBondContact CA-OE2 3.32Å; I417-E421 HydrophobicContact CB-CB 4.08Å; I417-E421 WeakPolarHBondContact CB-OE2 3.4Å; T418-E421 PolarHBondContact N-OE2 2.91Å; T418-E421 WeakPolarHBondContact OG1-CB 3.35Å; T418-E421 WeakPolarHBondContact OG1-CG 3.13Å; T418-E421 PolarHBondContact OG1-N 2.5Å; E421-I425 VanDerWaalsContact O-CB 3.3Å; E421-I425 WeakPolarHBondContact O-CB 3.3Å; E421-I425 WeakPolarHBondContact O-CD1 3.36Å; E421-I425 WeakPolarHBondContact O-CG1 3.47Å; E421-I425 PolarHBondContact O-N 2.79Å
422	R	97.3	Very high	95.5	Very high	44 Å²	44	70.4 Å²	70.4	17%	0.166	37%	0.373	C	S	.	.	H	α-helix	trans	-57.4	-52.3	174.7	175.3	-158.1	68.4	-162.2	-3.9	111.2	L408 N409 I417 T418 S419 F420 I425 L426	L408-R422 HydrophobicContact CB-CG 3.81Å; N409-R422 PolarHBondContact OD1-NH1 3.27Å; I417-R422 HydrophobicContact CD1-CB 4.02Å; T418-R422 PolarHBondContact O-N 2.97Å; T418-R422 VanDerWaalsContact O-N 3.09Å; S419-R422 WeakPolarHBondContact O-CB 3.36Å; S419-R422 PolarHBondContact O-N 2.92Å; F420-R422 VanDerWaalsContact C-N 3.29Å; F420-R422 PolarHBondContact O-N 3.26Å; R422-I425 PolarHBondContact O-N 3.01Å; R422-L426 WeakPolarHBondContact O-CB 3.5Å; R422-L426 PolarHBondContact O-N 3.06Å
423	D	97.2	Very high	95.6	Very high	76 Å²	76	72.7 Å²	72.7	41%	0.406	38%	0.383	S	S	.	.	H	α-helix	trans	-68.6	-38	-175.2	-62.8	-22.1	0	0	0	111.5	S419 F420 L426 S427	S419-D423 PolarHBondContact O-N 3.01Å; S419-D423 VanDerWaalsContact O-N 3.08Å; F420-D423 PolarHBondContact O-N 2.9Å; D423-L426 PolarHBondContact O-N 2.86Å; D423-S427 PolarHBondContact O-N 3.39Å; D423-S427 VanDerWaalsContact O-N 3.13Å
424	S	97.1	Very high	95.7	Very high	58 Å²	58	70.2 Å²	70.2	41%	0.406	38%	0.377	S	S	.	.	H	α-helix	trans	-69.5	-31	174.1	179.1	0	0	0	0	113.6	F420 S427	F420-S424 WeakPolarHBondContact O-CB 3.07Å; F420-S424 PolarHBondContact O-N 3.18Å; S424-S427 PolarHBondContact O-OG 2.89Å
425	I	97.1	Very high	96	Very high	27 Å²	27	65 Å²	65	14%	0.138	35%	0.353	C	S	.	.	H	α-helix	trans	-71.3	-42.6	173.5	-74.6	164.6	0	0	0	109.4	V381 L408 E421 R422 S427 N428	V381-I425 HydrophobicContact CB-CG2 4.18Å; V381-I425 HydrophobicContact CG2-CG2 3.89Å; L408-I425 HydrophobicContact CD1-CB 4.31Å; L408-I425 HydrophobicContact CD1-CG2 3.7Å; L408-I425 HydrophobicContact CD2-CG2 3.93Å; L408-I425 HydrophobicContact CG-CG2 4.49Å; E421-I425 VanDerWaalsContact O-CB 3.3Å; E421-I425 WeakPolarHBondContact O-CB 3.3Å; E421-I425 WeakPolarHBondContact O-CD1 3.36Å; E421-I425 WeakPolarHBondContact O-CG1 3.47Å; E421-I425 PolarHBondContact O-N 2.79Å; R422-I425 PolarHBondContact O-N 3.01Å; I425-S427 VanDerWaalsContact C-N 3.27Å; I425-S427 PolarHBondContact O-N 2.95Å; I425-N428 WeakPolarHBondContact O-CB 3.39Å; I425-N428 PolarHBondContact O-N 3.23Å; I425-N428 VanDerWaalsContact O-N 3.1Å
426	L	96.9	Very high	96.4	Very high	48 Å²	48	63.3 Å²	63.3	25%	0.251	35%	0.346	S	S	.	.	H	α-helix	trans	-63.2	-33.1	-178.8	-170.1	70.4	0	0	0	112.3	V404 F405 L408 R422 D423 N428 L429	V404-L426 HydrophobicContact CG1-CD1 4.23Å; F405-L426 HydrophobicContact CB-CD1 4.44Å; F405-L426 HydrophobicContact CD2-CD2 3.83Å; L408-L426 HydrophobicContact CD1-CB 4.42Å; L408-L426 HydrophobicContact CD1-CD1 4.35Å; R422-L426 WeakPolarHBondContact O-CB 3.5Å; R422-L426 PolarHBondContact O-N 3.06Å; D423-L426 PolarHBondContact O-N 2.86Å; L426-N428 PolarHBondContact O-N 2.97Å; L426-N428 VanDerWaalsContact O-N 3.14Å; L426-L429 HydrophobicContact CD1-CD2 4.35Å; L426-L429 VanDerWaalsContact O-CB 3.27Å; L426-L429 WeakPolarHBondContact O-CB 3.28Å; L426-L429 PolarHBondContact O-N 2.91Å
427	S	97.1	Very high	96.8	Very high	81 Å²	81	60.7 Å²	60.7	57%	0.566	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-14.8	176.1	66.6	0	0	0	0	114.1	D423 S424 I425 L429	D423-S427 PolarHBondContact O-N 3.39Å; D423-S427 VanDerWaalsContact O-N 3.13Å; S424-S427 PolarHBondContact O-OG 2.89Å; I425-S427 VanDerWaalsContact C-N 3.27Å; I425-S427 PolarHBondContact O-N 2.95Å; S427-L429 VanDerWaalsContact C-N 3.26Å
428	N	97.3	Very high	97.1	Very high	47 Å²	47	59.7 Å²	59.7	25%	0.251	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-12.2	170.3	-64.9	-49.1	0	0	0	113	V381 H386 T387 I425 L426	V381-N428 HydrophobicContact CB-CB 4.44Å; V381-N428 HydrophobicContact CG1-CB 4.43Å; H386-N428 PolarHBondContact ND1-O 3.42Å; T387-N428 PolarHBondContact N-O 3.2Å; I425-N428 WeakPolarHBondContact O-CB 3.39Å; I425-N428 PolarHBondContact O-N 3.23Å; I425-N428 VanDerWaalsContact O-N 3.1Å; L426-N428 PolarHBondContact O-N 2.97Å; L426-N428 VanDerWaalsContact O-N 3.14Å
429	L	98.3	Very high	97.2	Very high	17 Å²	17	61.3 Å²	61.3	9%	0.089	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	124.8	173.7	-170.4	67.3	0	0	0	109.3	A377 V381 T387 L389 E401 V404 L426 S427	A377-L429 HydrophobicContact CB-CD1 4Å; V381-L429 HydrophobicContact CG1-CB 4.09Å; V381-L429 HydrophobicContact CG1-CD1 4.07Å; T387-L429 HydrophobicContact CG2-CD1 4.2Å; T387-L429 WeakPolarHBondContact O-CA 3.17Å; L389-L429 HydrophobicContact CB-CD1 3.92Å; E401-L429 HydrophobicContact CG-CD2 4.34Å; V404-L429 HydrophobicContact CB-CD2 4.08Å; V404-L429 HydrophobicContact CG1-CD2 4.05Å; V404-L429 HydrophobicContact CG2-CD2 4.08Å; L426-L429 HydrophobicContact CD1-CD2 4.35Å; L426-L429 VanDerWaalsContact O-CB 3.27Å; L426-L429 WeakPolarHBondContact O-CB 3.28Å; L426-L429 PolarHBondContact O-N 2.91Å; S427-L429 VanDerWaalsContact C-N 3.26Å
430	T	98.2	Very high	97.2	Very high	56 Å²	56	64.9 Å²	64.9	34%	0.344	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	107.4	172.2	-57.4	0	0	0	0	108.8	H386 T387 I388 L389	H386-T430 PolarHBondContact CE1-OG1 3.34Å; T387-T430 PolarHBondContact O-N 2.83Å; I388-T430 CarbonylContact C-O 3.59Å; I388-T430 WeakPolarHBondContact CA-O 3.5Å; L389-T430 PolarHBondContact N-O 2.96Å
431	G	98.1	Very high	97.2	Very high	25 Å²	25	57.5 Å²	57.5	26%	0.258	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	138	173.7	0	0	0	0	0	112	L389 E401	L389-G431 WeakPolarHBondContact O-CA 3.14Å; E401-G431 WeakPolarHBondContact OE1-CA 3.32Å
432	Q	97.9	Very high	97.4	Very high	29 Å²	29	56 Å²	56	14%	0.136	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	169.3	177.6	59.9	-173.5	57.4	0	0	112.5	I388 L389 K390 D391 D434 K436	I388-Q432 HydrophobicContact CG2-CG 3.71Å; L389-Q432 PolarHBondContact O-N 2.96Å; K390-Q432 VanDerWaalsContact CA-O 3.29Å; K390-Q432 WeakPolarHBondContact CA-O 3.28Å; D391-Q432 PolarHBondContact N-O 2.88Å; Q432-D434 PolarHBondContact NE2-O 2.98Å; Q432-K436 PolarHBondContact NE2-O 2.62Å; Q432-K436 PolarHBondContact OE1-O 3.11Å
433	L	97.8	Very high	97.4	Very high	75 Å²	75	53.9 Å²	53.9	39%	0.393	29%	0.288	S	S	.	.	S	Bend	trans	-109.3	-24.2	177	-57.7	-179.5	0	0	0	113.1	K390 D391 V394 L397	K390-L433 WeakPolarHBondContact CE-O 3.36Å; D391-L433 WeakPolarHBondContact O-CA 3.35Å; V394-L433 HydrophobicContact CG2-CD1 3.8Å; L397-L433 HydrophobicContact CB-CD2 4.29Å; L397-L433 HydrophobicContact CD2-CD2 4.06Å
434	D	97.1	Very high	97.5	Very high	91 Å²	91	50.2 Å²	50.2	49%	0.487	27%	0.269	S	S	.	.	S	Bend	trans	-96.2	-178	178	68.2	26	0	0	0	111.9	Q432 K436	Q432-D434 PolarHBondContact NE2-O 2.98Å; D434-K436 WeakPolarHBondContact OD1-CB 3.39Å; D434-K436 PolarHBondContact OD1-N 2.96Å
435	Y	97.3	Very high	97.6	Very high	49 Å²	49	47.5 Å²	47.5	19%	0.192	25%	0.249	C	C	.	.			trans	-96	20	178.6	-62.5	-69.1	0	0	0	113.7	L367 K390 G437 F438 E461 V462 V465	L367-Y435 HydrophobicContact CD2-CE1 3.97Å; K390-Y435 HydrophobicContact CD-CE1 4.29Å; K390-Y435 PolarHBondContact NZ-OH 2.97Å; Y435-G437 PolarHBondContact O-N 2.86Å; Y435-F438 HydrophobicContact CD1-CD1 4.06Å; Y435-F438 HydrophobicContact CD1-CD2 4.34Å; Y435-F438 AromaticContact CD1-CE1 3.86Å; Y435-F438 HydrophobicContact CD1-CE1 3.86Å; Y435-F438 HydrophobicContact CD1-CE2 4.13Å; Y435-F438 HydrophobicContact CD1-CG 4.3Å; Y435-F438 AromaticContact CD1-CZ 3.89Å; Y435-F438 HydrophobicContact CD1-CZ 3.89Å; Y435-F438 HydrophobicContact CE1-CE1 4.38Å; Y435-F438 HydrophobicContact CE1-CZ 4.47Å; Y435-F438 VanDerWaalsContact O-CB 3.29Å; Y435-F438 WeakPolarHBondContact O-CB 3.49Å; Y435-F438 VanDerWaalsContact O-CD2 3.28Å; Y435-F438 WeakPolarHBondContact O-CD2 3.34Å; Y435-F438 PolarHBondContact O-N 2.68Å; Y435-E461 HydrophobicContact CE2-CB 4.11Å; Y435-E461 WeakPolarHBondContact CE2-OE2 3.37Å; Y435-E461 PolarHBondContact OH-OE2 3.18Å; Y435-V462 HydrophobicContact CD1-CG2 4.37Å; Y435-V462 HydrophobicContact CE1-CG2 3.7Å; Y435-V465 HydrophobicContact CG-CG2 4.44Å
436	K	95.6	Very high	97.7	Very high	157 Å²	157	46.2 Å²	46.2	68%	0.683	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	136.6	179.4	-173.2	178.7	179.8	-179.4	0	111.2	Q432 D434 F438	Q432-K436 PolarHBondContact NE2-O 2.62Å; Q432-K436 PolarHBondContact OE1-O 3.11Å; D434-K436 WeakPolarHBondContact OD1-CB 3.39Å; D434-K436 PolarHBondContact OD1-N 2.96Å; K436-F438 VanDerWaalsContact C-N 3.26Å; K436-F438 PolarHBondContact O-N 3.13Å
437	G	95.2	Very high	97.6	Very high	18 Å²	18	44.7 Å²	44.7	19%	0.186	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.8	-8.9	-179.2	0	0	0	0	0	114.4	Y435 E439 K440	Y435-G437 PolarHBondContact O-N 2.86Å; G437-E439 WeakPolarHBondContact CA-OE1 3.49Å; G437-E439 WeakPolarHBondContact CA-OE2 3.42Å; G437-E439 PolarHBondContact N-OE2 2.85Å; G437-E439 PolarHBondContact O-N 3.31Å; G437-K440 PolarHBondContact O-N 2.8Å
438	F	98.1	Very high	97.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-66.4	-20.7	175.2	-82	-120.1	0	0	0	112.3	A365 L367 I388 K390 Y435 K436 K440 A441 V444 V462 V465 I466 P467	A365-F438 HydrophobicContact CB-CD1 4.21Å; A365-F438 HydrophobicContact CB-CE1 3.64Å; A365-F438 HydrophobicContact CB-CE2 4.1Å; A365-F438 HydrophobicContact CB-CZ 3.59Å; L367-F438 HydrophobicContact CD2-CE1 3.83Å; L367-F438 HydrophobicContact CD2-CZ 3.8Å; I388-F438 HydrophobicContact CD1-CD2 4.46Å; I388-F438 HydrophobicContact CG2-CE2 3.86Å; K390-F438 HydrophobicContact CB-CE2 4.49Å; K390-F438 HydrophobicContact CB-CZ 4.21Å; Y435-F438 HydrophobicContact CD1-CD1 4.06Å; Y435-F438 HydrophobicContact CD1-CD2 4.34Å; Y435-F438 AromaticContact CD1-CE1 3.86Å; Y435-F438 HydrophobicContact CD1-CE1 3.86Å; Y435-F438 HydrophobicContact CD1-CE2 4.13Å; Y435-F438 HydrophobicContact CD1-CG 4.3Å; Y435-F438 AromaticContact CD1-CZ 3.89Å; Y435-F438 HydrophobicContact CD1-CZ 3.89Å; Y435-F438 HydrophobicContact CE1-CE1 4.38Å; Y435-F438 HydrophobicContact CE1-CZ 4.47Å; Y435-F438 VanDerWaalsContact O-CB 3.29Å; Y435-F438 WeakPolarHBondContact O-CB 3.49Å; Y435-F438 VanDerWaalsContact O-CD2 3.28Å; Y435-F438 WeakPolarHBondContact O-CD2 3.34Å; Y435-F438 PolarHBondContact O-N 2.68Å; K436-F438 VanDerWaalsContact C-N 3.26Å; K436-F438 PolarHBondContact O-N 3.13Å; F438-K440 PolarHBondContact O-N 2.77Å; F438-A441 WeakPolarHBondContact O-CB 3.31Å; F438-A441 PolarHBondContact O-N 2.86Å; F438-V444 HydrophobicContact CD1-CG2 4.37Å; F438-V444 HydrophobicContact CE1-CG1 4.44Å; F438-V444 HydrophobicContact CE1-CG2 4.37Å; F438-V462 HydrophobicContact CD1-CG1 4.31Å; F438-V462 HydrophobicContact CE1-CG1 4.42Å; F438-V465 HydrophobicContact CB-CG2 3.9Å; F438-I466 HydrophobicContact CB-CG2 4.16Å; F438-I466 HydrophobicContact CD1-CG2 3.98Å; F438-P467 WeakPolarHBondContact O-CD 3.29Å
439	E	97.1	Very high	97	Very high	105 Å²	105	48.6 Å²	48.6	49%	0.491	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-63.8	-9.6	173.8	75.9	-71.1	166.6	0	0	113.3	G437 P467	G437-E439 WeakPolarHBondContact CA-OE1 3.49Å; G437-E439 WeakPolarHBondContact CA-OE2 3.42Å; G437-E439 PolarHBondContact N-OE2 2.85Å; G437-E439 PolarHBondContact O-N 3.31Å; E439-P467 WeakPolarHBondContact O-CG 3.41Å
440	K	96.9	Very high	96.6	Very high	145 Å²	145	49.9 Å²	49.9	63%	0.63	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-114.6	4.2	174.8	-59	179.6	-172.9	172.5	0	113.2	G437 F438 D442	G437-K440 PolarHBondContact O-N 2.8Å; F438-K440 PolarHBondContact O-N 2.77Å; K440-D442 PolarHBondContact O-N 3.24Å
441	A	98.3	Very high	96.2	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.25	C	S	.	.			trans	-67.1	133.9	-179.5	0	0	0	0	0	110.7	F438 V444 I466 C470	F438-A441 WeakPolarHBondContact O-CB 3.31Å; F438-A441 PolarHBondContact O-N 2.86Å; A441-V444 HydrophobicContact CB-CG2 4.3Å; A441-I466 HydrophobicContact CB-CG2 4.46Å; A441-C470 WeakPolarHBondContact O-CB 3.43Å; A441-C470 PolarHBondContact O-SG 2.81Å; A441-C470 VanDerWaalsContact O-SG 3.38Å
442	D	98.6	Very high	96	Very high	27 Å²	27	50.9 Å²	50.9	14%	0.144	25%	0.248	C	C	.	.	S	Bend	trans	-94	-28	171	-61.8	-54.7	0	0	0	111.3	V361 K362 T363 K440 H469 C470 I471	V361-D442 HydrophobicContact CB-CB 4.25Å; V361-D442 HydrophobicContact CG1-CB 4.11Å; V361-D442 HydrophobicContact CG2-CB 4.17Å; K362-D442 PolarHBondContact N-OD2 3.06Å; T363-D442 PolarHBondContact N-OD2 3.16Å; T363-D442 VanDerWaalsContact N-OD2 3.16Å; T363-D442 PolarHBondContact O-N 2.92Å; K440-D442 PolarHBondContact O-N 3.24Å; D442-H469 IonicContact OD1-CD2 3.77Å; D442-H469 IonicContact OD1-NE2 2.62Å; D442-H469 PolarHBondContact OD1-NE2 3.29Å; D442-C470 VanDerWaalsContact C-SG 3.59Å; D442-C470 WeakPolarHBondContact O-CA 3.45Å; D442-I471 PolarHBondContact O-N 3.2Å; D442-I471 VanDerWaalsContact O-N 3.11Å
443	M	98.8	Very high	95.9	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	140.6	176.5	-175.9	173.5	-75.9	0	0	110.5	V361 L364 A365 I445 I471 M497 A525 V528	V361-M443 HydrophobicContact CG1-CB 3.93Å; V361-M443 HydrophobicContact CG2-CB 3.94Å; V361-M443 HydrophobicContact CG2-CE 4.02Å; L364-M443 CarbonylContact C-O 3.57Å; L364-M443 WeakPolarHBondContact CA-O 3.47Å; L364-M443 HydrophobicContact CD1-SD 4.36Å; A365-M443 PolarHBondContact N-O 3.1Å; M443-I445 HydrophobicContact CG-CG1 4.43Å; M443-I471 CarbonylContact C-O 3.58Å; M443-I471 WeakPolarHBondContact CA-O 3.22Å; M443-I471 HydrophobicContact CE-CB 4.1Å; M443-I471 HydrophobicContact CE-CD1 3.8Å; M443-I471 HydrophobicContact CE-CG2 3.97Å; M443-I471 HydrophobicContact CG-CB 4.26Å; M443-I471 HydrophobicContact CG-CG2 4.34Å; M443-M497 HydrophobicContact SD-SD 3.95Å; M443-A525 HydrophobicContact CE-CB 4.33Å; M443-V528 HydrophobicContact CE-CB 4.48Å; M443-V528 HydrophobicContact CE-CG2 3.92Å; M443-V528 HydrophobicContact SD-CB 4.14Å; M443-V528 HydrophobicContact SD-CG1 4.14Å; M443-V528 HydrophobicContact SD-CG2 3.82Å
444	V	98.9	Very high	95.8	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	135.9	170.3	-176.8	0	0	0	0	108.8	A365 L367 F438 A441 V462 I466 I471 F472 A473	A365-V444 HydrophobicContact CB-CG1 4.48Å; A365-V444 HydrophobicContact CB-CG2 4.22Å; A365-V444 CarbonylContact O-C 3.33Å; A365-V444 VanDerWaalsContact O-CA 3.27Å; A365-V444 WeakPolarHBondContact O-CA 3.31Å; L367-V444 HydrophobicContact CD1-CG1 3.49Å; L367-V444 VanDerWaalsContact CD1-CG1 3.49Å; L367-V444 HydrophobicContact CG-CG1 3.82Å; F438-V444 HydrophobicContact CD1-CG2 4.37Å; F438-V444 HydrophobicContact CE1-CG1 4.44Å; F438-V444 HydrophobicContact CE1-CG2 4.37Å; A441-V444 HydrophobicContact CB-CG2 4.3Å; V444-V462 HydrophobicContact CB-CG1 4.34Å; V444-V462 HydrophobicContact CG1-CG1 4.07Å; V444-V462 HydrophobicContact CG2-CG1 3.91Å; V444-I466 HydrophobicContact CG2-CG2 3.9Å; V444-I471 PolarHBondContact N-O 3.27Å; V444-F472 HydrophobicContact CB-CD2 4.36Å; V444-F472 HydrophobicContact CG1-CD2 4.36Å; V444-F472 HydrophobicContact CG1-CE2 4.49Å; V444-A473 PolarHBondContact O-N 3.46Å
445	I	98.8	Very high	95.8	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	117.3	172.5	-56.4	-178.8	0	0	0	108.9	L364 A365 I366 L367 I376 M443 A473 N475 M497 Y499	L364-I445 HydrophobicContact CD1-CD1 3.94Å; L364-I445 HydrophobicContact CD1-CG1 4.46Å; L364-I445 HydrophobicContact CD2-CD1 4.17Å; L364-I445 HydrophobicContact CD2-CG1 4.32Å; L364-I445 HydrophobicContact CG-CD1 4.47Å; A365-I445 PolarHBondContact O-N 2.65Å; I366-I445 WeakPolarHBondContact CA-O 3.4Å; L367-I445 PolarHBondContact N-O 2.86Å; I376-I445 HydrophobicContact CD1-CG2 4.14Å; I376-I445 HydrophobicContact CG2-CD1 3.93Å; M443-I445 HydrophobicContact CG-CG1 4.43Å; I445-A473 CarbonylContact C-O 3.46Å; I445-A473 VanDerWaalsContact CA-O 3.32Å; I445-A473 WeakPolarHBondContact CA-O 3.3Å; I445-A473 HydrophobicContact CG1-CB 4.26Å; I445-N475 HydrophobicContact CG2-CB 4.37Å; I445-M497 HydrophobicContact CD1-CE 4.39Å; I445-M497 HydrophobicContact CD1-SD 4.22Å; I445-M497 HydrophobicContact CG1-SD 4.47Å; I445-Y499 HydrophobicContact CD1-CE2 4.19Å; I445-Y499 HydrophobicContact CG2-CE2 4.35Å
446	E	98.4	Very high	95.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	125.7	176.6	178.6	-83.1	124.2	0	0	110.9	L367 V448 K455 V458 F472 A473 S474 N475	L367-E446 HydrophobicContact CD1-CB 4.18Å; E446-V448 HydrophobicContact CG-CG2 3.96Å; E446-V448 WeakPolarHBondContact OE1-CA 3.4Å; E446-V448 WeakPolarHBondContact OE1-CG2 3.3Å; E446-V448 PolarHBondContact OE1-N 3.12Å; E446-K455 IonicContact OE1-NZ 3.29Å; E446-K455 PolarHBondContact OE1-NZ 3.21Å; E446-K455 IonicContact OE2-NZ 3.54Å; E446-K455 PolarHBondContact OE2-NZ 3.01Å; E446-V458 HydrophobicContact CG-CG1 4.31Å; E446-F472 HydrophobicContact CB-CE1 3.96Å; E446-F472 HydrophobicContact CB-CE2 4.28Å; E446-F472 HydrophobicContact CB-CZ 3.54Å; E446-F472 HydrophobicContact CG-CZ 4Å; E446-A473 PolarHBondContact N-O 2.92Å; E446-S474 WeakPolarHBondContact OE2-CB 3.04Å; E446-S474 PolarHBondContact OE2-OG 3.38Å; E446-N475 VanDerWaalsContact O-CB 3.26Å; E446-N475 WeakPolarHBondContact O-CB 3.47Å; E446-N475 PolarHBondContact O-N 2.64Å
447	A	96.5	Very high	95.9	Very high	17 Å²	17	46.2 Å²	46.2	14%	0.14	24%	0.236	C	C	.	.			trans	-137.7	43.4	178.6	0	0	0	0	0	111.4	L367 I376 N475	L367-A447 CarbonylContact O-C 3.6Å; L367-A447 VanDerWaalsContact O-C 3.28Å; L367-A447 WeakPolarHBondContact O-CA 3.22Å; L367-A447 PolarHBondContact O-N 2.93Å; I376-A447 HydrophobicContact CD1-CB 4.5Å; A447-N475 HydrophobicContact CB-CB 4.45Å
448	V	94	Very high	96	Very high	41 Å²	41	46.2 Å²	46.2	25%	0.248	23%	0.232	C	C	.	.			trans	-88.1	-177.9	173.8	-54.2	0	0	0	0	111.1	L367 E446 I454 K455 V458	L367-V448 HydrophobicContact CB-CG1 4.4Å; E446-V448 HydrophobicContact CG-CG2 3.96Å; E446-V448 WeakPolarHBondContact OE1-CA 3.4Å; E446-V448 WeakPolarHBondContact OE1-CG2 3.3Å; E446-V448 PolarHBondContact OE1-N 3.12Å; V448-I454 HydrophobicContact CG2-CG2 3.95Å; V448-K455 HydrophobicContact CG2-CG 4.21Å; V448-V458 HydrophobicContact CG2-CG2 4.4Å
449	F	88.1	Confident	96	Very high	168 Å²	168	46.2 Å²	46.2	74%	0.737	23%	0.232	S	C	*	.			trans	-57.3	151.8	-178.5	-68.4	-73	0	0	0	113	D451 I454 K455	F449-D451 PolarHBondContact O-N 2.98Å; F449-I454 HydrophobicContact CB-CD1 4.38Å; F449-K455 WeakPolarHBondContact O-CE 3.34Å
450	E	88.3	Confident	96.1	Very high	44 Å²	44	47.3 Å²	47.3	21%	0.206	24%	0.235	C	C	.	.	S	Bend	trans	-77.4	63.5	-179.8	-159.9	80.5	142.6	0	0	110.7	K455 T476 S477 A478 L479 H598	E450-K455 VanDerWaalsContact OE2-CE 3.28Å; E450-K455 WeakPolarHBondContact OE2-CE 3.38Å; E450-K455 IonicContact OE2-NZ 2.79Å; E450-T476 PolarHBondContact OE1-OG1 3.11Å; E450-T476 WeakPolarHBondContact OE2-CB 3.46Å; E450-T476 PolarHBondContact OE2-OG1 3.25Å; E450-S477 PolarHBondContact OE1-N 3.41Å; E450-S477 PolarHBondContact OE1-OG 3.15Å; E450-A478 PolarHBondContact OE1-N 2.93Å; E450-L479 HydrophobicContact CG-CD1 4.25Å; E450-L479 HydrophobicContact CG-CG 4.32Å; E450-H598 PolarHBondContact O-NE2 2.78Å
451	D	90.4	Very high	96.1	Very high	60 Å²	60	44.6 Å²	44.6	32%	0.321	23%	0.225	S	C	.	.			trans	-133	127.6	176.2	178.2	-78	0	0	0	109.5	F449 N453 I454 K455	F449-D451 PolarHBondContact O-N 2.98Å; D451-N453 VanDerWaalsContact C-N 3.33Å; D451-N453 PolarHBondContact O-N 2.85Å; D451-N453 WeakPolarHBondContact OD1-CA 3.42Å; D451-N453 VanDerWaalsContact OD1-CB 3.26Å; D451-N453 WeakPolarHBondContact OD1-CB 3.41Å; D451-N453 PolarHBondContact OD1-N 3.33Å; D451-I454 HydrophobicContact CB-CB 4.19Å; D451-I454 HydrophobicContact CB-CD1 3.93Å; D451-I454 HydrophobicContact CB-CG1 3.99Å; D451-I454 PolarHBondContact O-N 2.85Å; D451-I454 PolarHBondContact OD1-N 3.35Å; D451-K455 WeakPolarHBondContact O-CG 3.46Å; D451-K455 PolarHBondContact O-N 2.95Å
452	I	93.3	Very high	96.1	Very high	42 Å²	42	44.6 Å²	44.6	22%	0.215	23%	0.225	C	C	.	.	H	α-helix	trans	-64.9	-35.6	-174.5	-168.4	60.9	0	0	0	112.6	K455 H456 L479 E483 I484	I452-K455 PolarHBondContact O-N 3.42Å; I452-H456 WeakPolarHBondContact O-CB 3.33Å; I452-H456 PolarHBondContact O-CD2 3.13Å; I452-H456 PolarHBondContact O-N 3Å; I452-L479 HydrophobicContact CB-CD1 4.39Å; I452-E483 HydrophobicContact CD1-CB 4.12Å; I452-I484 HydrophobicContact CD1-CG1 3.8Å
453	N	96.2	Very high	96.1	Very high	108 Å²	108	44.1 Å²	44.1	58%	0.578	22%	0.222	S	C	*	.	H	α-helix	trans	-69.7	-44.3	-179.4	-57.1	-62.7	0	0	0	110.3	D451 K455 H456 V457	D451-N453 VanDerWaalsContact C-N 3.33Å; D451-N453 PolarHBondContact O-N 2.85Å; D451-N453 WeakPolarHBondContact OD1-CA 3.42Å; D451-N453 VanDerWaalsContact OD1-CB 3.26Å; D451-N453 WeakPolarHBondContact OD1-CB 3.41Å; D451-N453 PolarHBondContact OD1-N 3.33Å; N453-K455 VanDerWaalsContact C-N 3.35Å; N453-H456 PolarHBondContact O-N 3.05Å; N453-V457 WeakPolarHBondContact O-CG2 3.34Å; N453-V457 PolarHBondContact O-N 2.59Å
454	I	95.5	Very high	96	Very high	71 Å²	71	47.7 Å²	47.7	36%	0.364	25%	0.251	S	S	.	.	H	α-helix	trans	-60.3	-47.6	175.3	-61.6	-179.9	0	0	0	109.8	V448 F449 D451 H456 V457 V458	V448-I454 HydrophobicContact CG2-CG2 3.95Å; F449-I454 HydrophobicContact CB-CD1 4.38Å; D451-I454 HydrophobicContact CB-CB 4.19Å; D451-I454 HydrophobicContact CB-CD1 3.93Å; D451-I454 HydrophobicContact CB-CG1 3.99Å; D451-I454 PolarHBondContact O-N 2.85Å; D451-I454 PolarHBondContact OD1-N 3.35Å; I454-H456 VanDerWaalsContact C-N 3.32Å; I454-H456 PolarHBondContact O-N 3.42Å; I454-V457 PolarHBondContact O-N 2.57Å; I454-V458 HydrophobicContact CG2-CG2 4.35Å; I454-V458 WeakPolarHBondContact O-CG2 3.28Å; I454-V458 PolarHBondContact O-N 3.03Å
455	K	96.8	Very high	96	Very high	1 Å²	1	50.6 Å²	50.6	0%	0.004	27%	0.269	C	S	.	.	H	α-helix	trans	-61.2	-39.1	179	-72.1	-178.7	-174.1	-69.5	0	112.3	E446 V448 F449 E450 D451 I452 N453 L459 L479 I484	E446-K455 IonicContact OE1-NZ 3.29Å; E446-K455 PolarHBondContact OE1-NZ 3.21Å; E446-K455 IonicContact OE2-NZ 3.54Å; E446-K455 PolarHBondContact OE2-NZ 3.01Å; V448-K455 HydrophobicContact CG2-CG 4.21Å; F449-K455 WeakPolarHBondContact O-CE 3.34Å; E450-K455 VanDerWaalsContact OE2-CE 3.28Å; E450-K455 WeakPolarHBondContact OE2-CE 3.38Å; E450-K455 IonicContact OE2-NZ 2.79Å; D451-K455 WeakPolarHBondContact O-CG 3.46Å; D451-K455 PolarHBondContact O-N 2.95Å; I452-K455 PolarHBondContact O-N 3.42Å; N453-K455 VanDerWaalsContact C-N 3.35Å; K455-L459 VanDerWaalsContact O-CB 3.25Å; K455-L459 WeakPolarHBondContact O-CB 3.21Å; K455-L459 PolarHBondContact O-N 3.3Å; K455-L479 HydrophobicContact CD-CD1 3.87Å; K455-I484 HydrophobicContact CD-CD1 3.8Å; K455-I484 HydrophobicContact CD-CG1 4.21Å
456	H	98.4	Very high	95.9	Very high	44 Å²	44	51.2 Å²	51.2	20%	0.204	27%	0.272	C	S	.	.	H	α-helix	trans	-64.6	-42.7	175	-79.6	-166.5	0	0	0	113	I452 N453 I454 K460 E483 A487	I452-H456 WeakPolarHBondContact O-CB 3.33Å; I452-H456 PolarHBondContact O-CD2 3.13Å; I452-H456 PolarHBondContact O-N 3Å; N453-H456 PolarHBondContact O-N 3.05Å; I454-H456 VanDerWaalsContact C-N 3.32Å; I454-H456 PolarHBondContact O-N 3.42Å; H456-K460 VanDerWaalsContact O-CG 3.29Å; H456-K460 WeakPolarHBondContact O-CG 3.24Å; H456-K460 PolarHBondContact O-N 3.03Å; H456-K460 VanDerWaalsContact O-N 3.08Å; H456-E483 PolarHBondContact NE2-O 2.88Å; H456-A487 HydrophobicContact CB-CB 3.86Å
457	V	97.7	Very high	95.9	Very high	79 Å²	79	52.2 Å²	52.2	48%	0.479	28%	0.278	S	S	.	.	H	α-helix	trans	-61.9	-50.7	176.7	170.8	0	0	0	0	110	N453 I454 L459 K460 E461	N453-V457 WeakPolarHBondContact O-CG2 3.34Å; N453-V457 PolarHBondContact O-N 2.59Å; I454-V457 PolarHBondContact O-N 2.57Å; V457-L459 PolarHBondContact O-N 3.31Å; V457-K460 PolarHBondContact O-N 3.09Å; V457-E461 HydrophobicContact CG1-CG 4.47Å; V457-E461 WeakPolarHBondContact CG1-OE1 3.19Å; V457-E461 WeakPolarHBondContact O-CG 3.47Å; V457-E461 PolarHBondContact O-N 2.85Å
458	V	97.6	Very high	96	Very high	18 Å²	18	56.5 Å²	56.5	11%	0.109	31%	0.305	C	S	.	.	H	α-helix	trans	-59.9	-44.9	179.7	171.2	0	0	0	0	111.5	L367 E446 V448 I454 K460 E461 V462	L367-V458 HydrophobicContact CD1-CG1 3.58Å; E446-V458 HydrophobicContact CG-CG1 4.31Å; V448-V458 HydrophobicContact CG2-CG2 4.4Å; I454-V458 HydrophobicContact CG2-CG2 4.35Å; I454-V458 WeakPolarHBondContact O-CG2 3.28Å; I454-V458 PolarHBondContact O-N 3.03Å; V458-K460 VanDerWaalsContact C-N 3.35Å; V458-K460 PolarHBondContact O-N 3.26Å; V458-E461 PolarHBondContact O-N 3.39Å; V458-V462 HydrophobicContact CG1-CG2 4.19Å; V458-V462 WeakPolarHBondContact O-CB 3.27Å; V458-V462 WeakPolarHBondContact O-CG2 3.31Å; V458-V462 PolarHBondContact O-N 3.46Å
459	L	98.3	Very high	96.1	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-58.6	-45.7	177	176	60.1	0	0	0	111.8	K455 V457 V462 E463 F472 I484 A487 V494	K455-L459 VanDerWaalsContact O-CB 3.25Å; K455-L459 WeakPolarHBondContact O-CB 3.21Å; K455-L459 PolarHBondContact O-N 3.3Å; V457-L459 PolarHBondContact O-N 3.31Å; L459-V462 PolarHBondContact O-N 2.87Å; L459-E463 HydrophobicContact CD1-CG 3.9Å; L459-E463 VanDerWaalsContact O-CB 3.31Å; L459-E463 WeakPolarHBondContact O-CB 3.5Å; L459-E463 WeakPolarHBondContact O-CG 3.36Å; L459-E463 PolarHBondContact O-N 2.89Å; L459-F472 HydrophobicContact CB-CE1 4.5Å; L459-F472 HydrophobicContact CB-CE2 4.35Å; L459-F472 HydrophobicContact CB-CZ 4.08Å; L459-F472 HydrophobicContact CD1-CB 4.15Å; L459-F472 HydrophobicContact CD1-CD1 3.62Å; L459-F472 HydrophobicContact CD1-CD2 3.57Å; L459-F472 HydrophobicContact CD1-CE1 3.79Å; L459-F472 HydrophobicContact CD1-CE2 3.73Å; L459-F472 HydrophobicContact CD1-CG 3.49Å; L459-F472 VanDerWaalsContact CD1-CG 3.49Å; L459-F472 HydrophobicContact CD1-CZ 3.83Å; L459-I484 HydrophobicContact CD2-CG2 4.28Å; L459-I484 VanDerWaalsContact CD2-O 3.24Å; L459-I484 WeakPolarHBondContact CD2-O 3.29Å; L459-A487 HydrophobicContact CD2-CB 4.15Å; L459-V494 HydrophobicContact CD1-CG2 4.49Å
460	K	98.2	Very high	96.6	Very high	129 Å²	129	49 Å²	49	56%	0.561	27%	0.27	S	S	*	.	H	α-helix	trans	-64.4	-43.7	179.4	-73.5	173.2	-175.6	176	0	112.6	H456 V457 V458 A464 A487	H456-K460 VanDerWaalsContact O-CG 3.29Å; H456-K460 WeakPolarHBondContact O-CG 3.24Å; H456-K460 PolarHBondContact O-N 3.03Å; H456-K460 VanDerWaalsContact O-N 3.08Å; V457-K460 PolarHBondContact O-N 3.09Å; V458-K460 VanDerWaalsContact C-N 3.35Å; V458-K460 PolarHBondContact O-N 3.26Å; K460-A464 PolarHBondContact O-N 3.41Å; K460-A487 HydrophobicContact CG-CB 4.47Å
461	E	97.4	Very high	97.1	Very high	88 Å²	88	47.1 Å²	47.1	41%	0.411	26%	0.261	S	S	.	.	H	α-helix	trans	-61.5	-46.6	177.5	-73.2	178.6	-175	0	0	111.5	Y435 V457 V458 A464	Y435-E461 HydrophobicContact CE2-CB 4.11Å; Y435-E461 WeakPolarHBondContact CE2-OE2 3.37Å; Y435-E461 PolarHBondContact OH-OE2 3.18Å; V457-E461 HydrophobicContact CG1-CG 4.47Å; V457-E461 WeakPolarHBondContact CG1-OE1 3.19Å; V457-E461 WeakPolarHBondContact O-CG 3.47Å; V457-E461 PolarHBondContact O-N 2.85Å; V458-E461 PolarHBondContact O-N 3.39Å; E461-A464 WeakPolarHBondContact O-CB 3.27Å; E461-A464 PolarHBondContact O-N 3.3Å
462	V	97.9	Very high	97.5	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-70.3	-43.3	-177.1	173.4	0	0	0	0	110.8	L367 Y435 F438 V444 V458 L459 A464 V465 I466 F472	L367-V462 HydrophobicContact CD1-CG2 3.63Å; L367-V462 HydrophobicContact CD2-CG2 4.11Å; Y435-V462 HydrophobicContact CD1-CG2 4.37Å; Y435-V462 HydrophobicContact CE1-CG2 3.7Å; F438-V462 HydrophobicContact CD1-CG1 4.31Å; F438-V462 HydrophobicContact CE1-CG1 4.42Å; V444-V462 HydrophobicContact CB-CG1 4.34Å; V444-V462 HydrophobicContact CG1-CG1 4.07Å; V444-V462 HydrophobicContact CG2-CG1 3.91Å; V458-V462 HydrophobicContact CG1-CG2 4.19Å; V458-V462 WeakPolarHBondContact O-CB 3.27Å; V458-V462 WeakPolarHBondContact O-CG2 3.31Å; V458-V462 PolarHBondContact O-N 3.46Å; L459-V462 PolarHBondContact O-N 2.87Å; V462-A464 PolarHBondContact O-N 3.43Å; V462-A464 VanDerWaalsContact O-N 3.17Å; V462-V465 VanDerWaalsContact O-CG2 3.29Å; V462-V465 WeakPolarHBondContact O-CG2 3.24Å; V462-V465 PolarHBondContact O-N 3.05Å; V462-V465 VanDerWaalsContact O-N 3.1Å; V462-I466 HydrophobicContact CG1-CD1 4.18Å; V462-I466 HydrophobicContact CG1-CG2 3.72Å; V462-I466 WeakPolarHBondContact O-CG1 3.35Å; V462-I466 WeakPolarHBondContact O-CG2 3.31Å; V462-I466 PolarHBondContact O-N 3Å; V462-F472 HydrophobicContact CB-CE2 4.33Å; V462-F472 HydrophobicContact CG1-CD2 4.1Å; V462-F472 HydrophobicContact CG1-CE2 4.25Å
463	E	97.9	Very high	97.8	Very high	17 Å²	17	42.4 Å²	42.4	8%	0.079	24%	0.236	C	C	.	.	H	α-helix	trans	-61.7	-23.8	177.3	-82.4	-166.5	-178.7	0	0	114	L459 V465 I466 S488 K489 R490	L459-E463 HydrophobicContact CD1-CG 3.9Å; L459-E463 VanDerWaalsContact O-CB 3.31Å; L459-E463 WeakPolarHBondContact O-CB 3.5Å; L459-E463 WeakPolarHBondContact O-CG 3.36Å; L459-E463 PolarHBondContact O-N 2.89Å; E463-V465 VanDerWaalsContact C-N 3.28Å; E463-I466 HydrophobicContact CG-CD1 4.43Å; E463-S488 VanDerWaalsContact OE1-CB 3.28Å; E463-S488 WeakPolarHBondContact OE1-CB 3.5Å; E463-S488 PolarHBondContact OE1-OG 3.48Å; E463-K489 WeakPolarHBondContact OE2-CB 3.31Å; E463-K489 PolarHBondContact OE2-N 3.01Å; E463-R490 PolarHBondContact O-NH2 3.42Å
464	A	97.6	Very high	97.9	Very high	75 Å²	75	37.3 Å²	37.3	62%	0.62	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-21.1	177.7	0	0	0	0	0	113.3	K460 E461 V462	K460-A464 PolarHBondContact O-N 3.41Å; E461-A464 WeakPolarHBondContact O-CB 3.27Å; E461-A464 PolarHBondContact O-N 3.3Å; V462-A464 PolarHBondContact O-N 3.43Å; V462-A464 VanDerWaalsContact O-N 3.17Å
465	V	97.9	Very high	98	Very high	61 Å²	61	34.8 Å²	34.8	37%	0.37	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.5	-23.2	-172.9	-60.3	0	0	0	0	114	Y435 F438 V462 E463	Y435-V465 HydrophobicContact CG-CG2 4.44Å; F438-V465 HydrophobicContact CB-CG2 3.9Å; V462-V465 VanDerWaalsContact O-CG2 3.29Å; V462-V465 WeakPolarHBondContact O-CG2 3.24Å; V462-V465 PolarHBondContact O-N 3.05Å; V462-V465 VanDerWaalsContact O-N 3.1Å; E463-V465 VanDerWaalsContact C-N 3.28Å
466	I	98.4	Very high	97.8	Very high	12 Å²	12	34.8 Å²	34.8	6%	0.062	20%	0.196	C	C	.	.	S	Bend	trans	-79.1	153	179	68.5	-177	0	0	0	112.1	F438 A441 V444 V462 E463 C470 R490	F438-I466 HydrophobicContact CB-CG2 4.16Å; F438-I466 HydrophobicContact CD1-CG2 3.98Å; A441-I466 HydrophobicContact CB-CG2 4.46Å; V444-I466 HydrophobicContact CG2-CG2 3.9Å; V462-I466 HydrophobicContact CG1-CD1 4.18Å; V462-I466 HydrophobicContact CG1-CG2 3.72Å; V462-I466 WeakPolarHBondContact O-CG1 3.35Å; V462-I466 WeakPolarHBondContact O-CG2 3.31Å; V462-I466 PolarHBondContact O-N 3Å; E463-I466 HydrophobicContact CG-CD1 4.43Å; I466-C470 HydrophobicContact CB-CB 3.83Å; I466-C470 HydrophobicContact CD1-CB 3.85Å; I466-C470 HydrophobicContact CG1-CB 3.96Å; I466-R490 VanDerWaalsContact CG1-NH2 3.3Å
467	P	97.9	Very high	97.3	Very high	21 Å²	21	34.2 Å²	34.2	14%	0.136	20%	0.197	C	C	.	.			trans	-57.8	155.8	173.2	-28.3	36.9	0	0	0	114.1	F438 E439 H469 C470 R490	F438-P467 WeakPolarHBondContact O-CD 3.29Å; E439-P467 WeakPolarHBondContact O-CG 3.41Å; P467-H469 WeakPolarHBondContact CB-CE1 3.38Å; P467-H469 VanDerWaalsContact CB-ND1 3.33Å; P467-H469 WeakPolarHBondContact CB-ND1 3.44Å; P467-H469 PolarHBondContact O-N 3.37Å; P467-H469 VanDerWaalsContact O-N 3.15Å; P467-C470 HydrophobicContact CB-CB 4.49Å; P467-C470 VanDerWaalsContact O-CB 3.28Å; P467-C470 WeakPolarHBondContact O-CB 3.48Å; P467-C470 PolarHBondContact O-N 3.44Å; P467-R490 PolarHBondContact O-NH1 3.4Å
468	P	97.4	Very high	96.6	Very high	107 Å²	107	30.6 Å²	30.6	70%	0.695	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-32.4	174.9	-28.2	36.1	0	0	0	114.4	R490	P468-R490 PolarHBondContact O-NH1 3.49Å
469	H	97.4	Very high	96.3	Very high	52 Å²	52	30.8 Å²	30.8	24%	0.241	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-16.2	179.9	73.7	-89.1	0	0	0	114.1	R359 D442 P467 I471	R359-H469 PolarHBondContact NH1-CE1 3.21Å; R359-H469 VanDerWaalsContact NH1-CG 3.26Å; R359-H469 PolarHBondContact NH1-ND1 3Å; R359-H469 VanDerWaalsContact NH1-ND1 3.11Å; D442-H469 IonicContact OD1-CD2 3.77Å; D442-H469 IonicContact OD1-NE2 2.62Å; D442-H469 PolarHBondContact OD1-NE2 3.29Å; P467-H469 WeakPolarHBondContact CB-CE1 3.38Å; P467-H469 VanDerWaalsContact CB-ND1 3.33Å; P467-H469 WeakPolarHBondContact CB-ND1 3.44Å; P467-H469 PolarHBondContact O-N 3.37Å; P467-H469 VanDerWaalsContact O-N 3.15Å; H469-I471 PolarHBondContact O-N 3.04Å
470	C	98.6	Very high	96.2	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.007	18%	0.18	C	C	.	.			trans	-64.8	133.3	-174.4	-175.2	0	0	0	0	110.7	A441 D442 I466 P467	A441-C470 WeakPolarHBondContact O-CB 3.43Å; A441-C470 PolarHBondContact O-SG 2.81Å; A441-C470 VanDerWaalsContact O-SG 3.38Å; D442-C470 VanDerWaalsContact C-SG 3.59Å; D442-C470 WeakPolarHBondContact O-CA 3.45Å; I466-C470 HydrophobicContact CB-CB 3.83Å; I466-C470 HydrophobicContact CD1-CB 3.85Å; I466-C470 HydrophobicContact CG1-CB 3.96Å; P467-C470 HydrophobicContact CB-CB 4.49Å; P467-C470 VanDerWaalsContact O-CB 3.28Å; P467-C470 WeakPolarHBondContact O-CB 3.48Å; P467-C470 PolarHBondContact O-N 3.44Å
471	I	98.8	Very high	96.2	Very high	4 Å²	4	25.3 Å²	25.3	2%	0.021	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	138.9	176.6	-66.2	163.7	0	0	0	109.3	D442 M443 V444 H469 K493 I495 T521 S524	D442-I471 PolarHBondContact O-N 3.2Å; D442-I471 VanDerWaalsContact O-N 3.11Å; M443-I471 CarbonylContact C-O 3.58Å; M443-I471 WeakPolarHBondContact CA-O 3.22Å; M443-I471 HydrophobicContact CE-CB 4.1Å; M443-I471 HydrophobicContact CE-CD1 3.8Å; M443-I471 HydrophobicContact CE-CG2 3.97Å; M443-I471 HydrophobicContact CG-CB 4.26Å; M443-I471 HydrophobicContact CG-CG2 4.34Å; V444-I471 PolarHBondContact N-O 3.27Å; H469-I471 PolarHBondContact O-N 3.04Å; I471-K493 HydrophobicContact CG1-CD 4.45Å; I471-I495 HydrophobicContact CG2-CG2 3.87Å; I471-T521 HydrophobicContact CB-CG2 4.5Å; I471-T521 HydrophobicContact CD1-CG2 4.25Å; I471-T521 HydrophobicContact CG1-CG2 4.04Å; I471-T521 HydrophobicContact CG2-CG2 3.74Å; I471-S524 WeakPolarHBondContact CD1-OG 3.46Å
472	F	98.8	Very high	96.2	Very high	3 Å²	3	27.1 Å²	27.1	1%	0.013	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	117.8	168.7	-174.6	-79.8	0	0	0	109.1	L367 V444 E446 L459 V462 K493 V494 I495	L367-F472 HydrophobicContact CD1-CE2 4.15Å; V444-F472 HydrophobicContact CB-CD2 4.36Å; V444-F472 HydrophobicContact CG1-CD2 4.36Å; V444-F472 HydrophobicContact CG1-CE2 4.49Å; E446-F472 HydrophobicContact CB-CE1 3.96Å; E446-F472 HydrophobicContact CB-CE2 4.28Å; E446-F472 HydrophobicContact CB-CZ 3.54Å; E446-F472 HydrophobicContact CG-CZ 4Å; L459-F472 HydrophobicContact CB-CE1 4.5Å; L459-F472 HydrophobicContact CB-CE2 4.35Å; L459-F472 HydrophobicContact CB-CZ 4.08Å; L459-F472 HydrophobicContact CD1-CB 4.15Å; L459-F472 HydrophobicContact CD1-CD1 3.62Å; L459-F472 HydrophobicContact CD1-CD2 3.57Å; L459-F472 HydrophobicContact CD1-CE1 3.79Å; L459-F472 HydrophobicContact CD1-CE2 3.73Å; L459-F472 HydrophobicContact CD1-CG 3.49Å; L459-F472 VanDerWaalsContact CD1-CG 3.49Å; L459-F472 HydrophobicContact CD1-CZ 3.83Å; V462-F472 HydrophobicContact CB-CE2 4.33Å; V462-F472 HydrophobicContact CG1-CD2 4.1Å; V462-F472 HydrophobicContact CG1-CE2 4.25Å; F472-K493 PolarHBondContact N-O 3.3Å; F472-V494 HydrophobicContact CB-CG2 4.44Å; F472-V494 HydrophobicContact CD1-CG1 4.39Å; F472-V494 VanDerWaalsContact O-CA 3.31Å; F472-V494 WeakPolarHBondContact O-CA 3.12Å; F472-I495 PolarHBondContact O-N 2.85Å
473	A	98.8	Very high	96.1	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	133.2	177.2	0	0	0	0	0	110.8	V444 I445 E446 I495 M497	V444-A473 PolarHBondContact O-N 3.46Å; I445-A473 CarbonylContact C-O 3.46Å; I445-A473 VanDerWaalsContact CA-O 3.32Å; I445-A473 WeakPolarHBondContact CA-O 3.3Å; I445-A473 HydrophobicContact CG1-CB 4.26Å; E446-A473 PolarHBondContact N-O 2.92Å; A473-I495 CarbonylContact C-O 3.48Å; A473-I495 WeakPolarHBondContact CA-O 3.49Å; A473-I495 HydrophobicContact CB-CG2 3.86Å; A473-M497 HydrophobicContact CB-CB 3.99Å; A473-M497 HydrophobicContact CB-CG 3.64Å; A473-M497 HydrophobicContact CB-SD 3.55Å; A473-M497 VanDerWaalsContact CB-SD 3.55Å
474	S	98.5	Very high	96.1	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.007	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	129.4	173.3	-176.9	0	0	0	0	111.4	E446 T476 I495 G496 M497	E446-S474 WeakPolarHBondContact OE2-CB 3.04Å; E446-S474 PolarHBondContact OE2-OG 3.38Å; S474-T476 VanDerWaalsContact C-N 3.29Å; S474-T476 PolarHBondContact O-N 2.66Å; S474-I495 PolarHBondContact N-O 3.18Å; S474-G496 WeakPolarHBondContact O-CA 3.27Å; S474-M497 PolarHBondContact O-N 3.28Å
475	N	97.4	Very high	96.1	Very high	17 Å²	17	28 Å²	28	9%	0.091	15%	0.153	C	C	.	.			trans	-91.4	60.1	168.9	177.5	66.3	0	0	0	110	I376 I445 E446 A447 M497 Y499	I376-N475 HydrophobicContact CD1-CB 4.33Å; I445-N475 HydrophobicContact CG2-CB 4.37Å; E446-N475 VanDerWaalsContact O-CB 3.26Å; E446-N475 WeakPolarHBondContact O-CB 3.47Å; E446-N475 PolarHBondContact O-N 2.64Å; A447-N475 HydrophobicContact CB-CB 4.45Å; N475-M497 WeakPolarHBondContact CA-O 3.43Å; N475-M497 WeakPolarHBondContact CB-O 3.32Å; N475-M497 PolarHBondContact OD1-O 3.29Å; N475-Y499 HydrophobicContact CB-CD2 4.41Å; N475-Y499 WeakPolarHBondContact OD1-CB 3.5Å; N475-Y499 WeakPolarHBondContact OD1-CD2 3.4Å; N475-Y499 PolarHBondContact OD1-N 3.47Å
476	T	93.3	Very high	96.1	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.012	17%	0.166	C	C	.	.			trans	-94.1	158.9	172.3	-176.2	0	0	0	0	110.2	E450 S474 L479 I481 I484 H498 F545	E450-T476 PolarHBondContact OE1-OG1 3.11Å; E450-T476 WeakPolarHBondContact OE2-CB 3.46Å; E450-T476 PolarHBondContact OE2-OG1 3.25Å; S474-T476 VanDerWaalsContact C-N 3.29Å; S474-T476 PolarHBondContact O-N 2.66Å; T476-L479 WeakPolarHBondContact CG2-O 3.47Å; T476-L479 WeakPolarHBondContact OG1-CB 3.42Å; T476-L479 PolarHBondContact OG1-N 2.88Å; T476-I481 HydrophobicContact CG2-CD1 3.59Å; T476-I484 HydrophobicContact CG2-CD1 3.71Å; T476-H498 PolarHBondContact O-CD2 3.2Å; T476-H498 VanDerWaalsContact O-CD2 3.27Å; T476-F545 HydrophobicContact CG2-CE2 4.19Å; T476-F545 HydrophobicContact CG2-CZ 3.84Å
477	S	86.4	Confident	96	Very high	31 Å²	31	29.2 Å²	29.2	22%	0.217	17%	0.171	C	C	.	.	S	Bend	trans	-115.8	-24.2	-175.7	62.3	0	0	0	0	113.6	E450 T548	E450-S477 PolarHBondContact OE1-N 3.41Å; E450-S477 PolarHBondContact OE1-OG 3.15Å; S477-T548 VanDerWaalsContact O-CB 3.3Å; S477-T548 WeakPolarHBondContact O-CB 3.28Å; S477-T548 PolarHBondContact O-OG1 3.3Å
478	A	84.1	Confident	96	Very high	4 Å²	4	29 Å²	29	3%	0.033	17%	0.17	C	C	.	.	S	Bend	trans	-128.1	-36.6	-176.6	0	0	0	0	0	113.7	E450 G544 V599	E450-A478 PolarHBondContact OE1-N 2.93Å; A478-G544 PolarHBondContact O-N 2.98Å; A478-V599 HydrophobicContact CB-CG2 4.32Å
479	L	91.8	Very high	96	Very high	22 Å²	22	32.5 Å²	32.5	12%	0.115	17%	0.174	C	C	.	.	S	Bend	trans	-72.8	126.9	-174.2	-63.6	171.9	0	0	0	110.8	E450 I452 K455 T476 I481 I484 F545	E450-L479 HydrophobicContact CG-CD1 4.25Å; E450-L479 HydrophobicContact CG-CG 4.32Å; I452-L479 HydrophobicContact CB-CD1 4.39Å; K455-L479 HydrophobicContact CD-CD1 3.87Å; T476-L479 WeakPolarHBondContact CG2-O 3.47Å; T476-L479 WeakPolarHBondContact OG1-CB 3.42Å; T476-L479 PolarHBondContact OG1-N 2.88Å; L479-I481 PolarHBondContact O-N 3.18Å; L479-I484 HydrophobicContact CB-CD1 4.3Å; L479-F545 VanDerWaalsContact O-CZ 3.26Å; L479-F545 WeakPolarHBondContact O-CZ 3.05Å
480	P	95.5	Very high	96	Very high	14 Å²	14	32 Å²	32	9%	0.091	17%	0.17	C	C	.	.			trans	-58.9	137.6	176	-23.8	33.7	0	0	0	112.2	K482 E483 I484 D541 P543	P480-K482 PolarHBondContact O-N 3.34Å; P480-E483 HydrophobicContact CB-CG 4.2Å; P480-E483 HydrophobicContact CG-CG 4.39Å; P480-E483 PolarHBondContact O-N 3.3Å; P480-E483 VanDerWaalsContact O-N 3.1Å; P480-I484 PolarHBondContact O-N 3.48Å; P480-D541 WeakPolarHBondContact CA-OD1 3.42Å; P480-P543 HydrophobicContact CG-CG 4.25Å
481	I	98	Very high	96	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-64.3	-31.5	179.7	-58.4	-55.5	0	0	0	110.9	T476 L479 E483 I484 A485 V494 G496 I512 T514 D541 F545	T476-I481 HydrophobicContact CG2-CD1 3.59Å; L479-I481 PolarHBondContact O-N 3.18Å; I481-E483 VanDerWaalsContact C-N 3.28Å; I481-E483 PolarHBondContact O-N 2.97Å; I481-I484 HydrophobicContact CD1-CD1 4.26Å; I481-I484 PolarHBondContact O-N 2.84Å; I481-A485 WeakPolarHBondContact O-CB 3.47Å; I481-A485 PolarHBondContact O-N 3.12Å; I481-V494 HydrophobicContact CG2-CG1 4.12Å; I481-G496 VanDerWaalsContact CD1-CA 3.47Å; I481-I512 HydrophobicContact CB-CG2 4.33Å; I481-I512 HydrophobicContact CG1-CB 3.79Å; I481-I512 HydrophobicContact CG1-CG2 3.61Å; I481-T514 HydrophobicContact CB-CG2 3.8Å; I481-T514 HydrophobicContact CG2-CG2 3.67Å; I481-D541 PolarHBondContact N-OD1 3.33Å; I481-D541 PolarHBondContact N-OD2 2.79Å; I481-F545 HydrophobicContact CD1-CE1 4.44Å; I481-F545 HydrophobicContact CD1-CZ 3.99Å; I481-F545 HydrophobicContact CG1-CE1 4.01Å; I481-F545 HydrophobicContact CG1-CZ 4.06Å
482	K	97.4	Very high	96	Very high	125 Å²	125	36.2 Å²	36.2	54%	0.543	19%	0.194	S	C	.	.	H	α-helix	trans	-60.9	-36.9	175.2	-177.9	175.4	-179.7	173.4	0	112.4	P480 A486 T514 D541	P480-K482 PolarHBondContact O-N 3.34Å; K482-A486 PolarHBondContact O-N 3.42Å; K482-A486 VanDerWaalsContact O-N 3.14Å; K482-T514 HydrophobicContact CB-CG2 4.2Å; K482-D541 WeakPolarHBondContact CB-OD2 3.19Å; K482-D541 PolarHBondContact N-OD2 2.9Å
483	E	96.6	Very high	96	Very high	102 Å²	102	37.6 Å²	37.6	48%	0.477	20%	0.2	S	C	.	.	H	α-helix	trans	-70.7	-39.9	176.5	-67.8	-177.7	-166.2	0	0	111.1	I452 H456 P480 I481 A486	I452-E483 HydrophobicContact CD1-CB 4.12Å; H456-E483 PolarHBondContact NE2-O 2.88Å; P480-E483 HydrophobicContact CB-CG 4.2Å; P480-E483 HydrophobicContact CG-CG 4.39Å; P480-E483 PolarHBondContact O-N 3.3Å; P480-E483 VanDerWaalsContact O-N 3.1Å; I481-E483 VanDerWaalsContact C-N 3.28Å; I481-E483 PolarHBondContact O-N 2.97Å; E483-A486 WeakPolarHBondContact O-CB 3.28Å; E483-A486 PolarHBondContact O-N 3.33Å
484	I	97.3	Very high	96	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-64.8	-47.3	174.6	-62.3	169.5	0	0	0	110.3	I452 K455 L459 T476 L479 P480 I481 A486 A487	I452-I484 HydrophobicContact CD1-CG1 3.8Å; K455-I484 HydrophobicContact CD-CD1 3.8Å; K455-I484 HydrophobicContact CD-CG1 4.21Å; L459-I484 HydrophobicContact CD2-CG2 4.28Å; L459-I484 VanDerWaalsContact CD2-O 3.24Å; L459-I484 WeakPolarHBondContact CD2-O 3.29Å; T476-I484 HydrophobicContact CG2-CD1 3.71Å; L479-I484 HydrophobicContact CB-CD1 4.3Å; P480-I484 PolarHBondContact O-N 3.48Å; I481-I484 HydrophobicContact CD1-CD1 4.26Å; I481-I484 PolarHBondContact O-N 2.84Å; I484-A486 PolarHBondContact O-N 3.21Å; I484-A486 VanDerWaalsContact O-N 3.15Å; I484-A487 PolarHBondContact O-N 2.94Å
485	A	97.8	Very high	96	Very high	9 Å²	9	37.5 Å²	37.5	7%	0.074	20%	0.2	C	C	.	.	H	α-helix	trans	-65.5	-15.1	-179.6	0	0	0	0	0	113.4	I481 A487 S488 P491 V494	I481-A485 WeakPolarHBondContact O-CB 3.47Å; I481-A485 PolarHBondContact O-N 3.12Å; A485-A487 PolarHBondContact O-N 3.43Å; A485-S488 WeakPolarHBondContact O-CB 3.07Å; A485-S488 PolarHBondContact O-N 2.87Å; A485-P491 HydrophobicContact CB-CB 4.32Å; A485-V494 HydrophobicContact CB-CB 3.98Å; A485-V494 HydrophobicContact CB-CG1 3.8Å; A485-V494 HydrophobicContact CB-CG2 4.44Å
486	A	97.5	Very high	96.1	Very high	80 Å²	80	36.7 Å²	36.7	66%	0.661	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-26	175.6	0	0	0	0	0	113	K482 E483 I484 S488	K482-A486 PolarHBondContact O-N 3.42Å; K482-A486 VanDerWaalsContact O-N 3.14Å; E483-A486 WeakPolarHBondContact O-CB 3.28Å; E483-A486 PolarHBondContact O-N 3.33Å; I484-A486 PolarHBondContact O-N 3.21Å; I484-A486 VanDerWaalsContact O-N 3.15Å; A486-S488 VanDerWaalsContact C-N 3.34Å
487	A	97.1	Very high	96.3	Very high	18 Å²	18	36.6 Å²	36.6	15%	0.149	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-5.2	174.3	0	0	0	0	0	114	H456 L459 K460 I484 A485	H456-A487 HydrophobicContact CB-CB 3.86Å; L459-A487 HydrophobicContact CD2-CB 4.15Å; K460-A487 HydrophobicContact CG-CB 4.47Å; I484-A487 PolarHBondContact O-N 2.94Å; A485-A487 PolarHBondContact O-N 3.43Å
488	S	97.9	Very high	96.9	Very high	17 Å²	17	35.9 Å²	35.9	12%	0.119	19%	0.188	C	C	.	.			trans	-81.2	142.3	-176.5	-177.5	0	0	0	0	112.7	E463 A485 A486 R490 V494	E463-S488 VanDerWaalsContact OE1-CB 3.28Å; E463-S488 WeakPolarHBondContact OE1-CB 3.5Å; E463-S488 PolarHBondContact OE1-OG 3.48Å; A485-S488 WeakPolarHBondContact O-CB 3.07Å; A485-S488 PolarHBondContact O-N 2.87Å; A486-S488 VanDerWaalsContact C-N 3.34Å; S488-R490 VanDerWaalsContact C-N 3.34Å; S488-R490 WeakPolarHBondContact OG-CA 3.29Å; S488-R490 PolarHBondContact OG-N 3.33Å; S488-R490 PolarHBondContact OG-O 3.1Å; S488-V494 WeakPolarHBondContact OG-CG2 3.48Å
489	K	97.4	Very high	97.5	Very high	180 Å²	180	35.9 Å²	35.9	78%	0.783	19%	0.187	S	C	*	.	S	Bend	trans	-80.5	-17.7	165.1	-63.5	177.4	-178.1	173.9	0	112.4	E463	E463-K489 WeakPolarHBondContact OE2-CB 3.31Å; E463-K489 PolarHBondContact OE2-N 3.01Å
490	R	98	Very high	97.5	Very high	43 Å²	43	35.8 Å²	35.8	16%	0.162	19%	0.186	C	C	.	.			trans	-136.3	63.5	-174.3	-64.1	170.2	-69.8	158.7	-11.8	110.5	E463 I466 P467 P468 S488 D492 K493	E463-R490 PolarHBondContact O-NH2 3.42Å; I466-R490 VanDerWaalsContact CG1-NH2 3.3Å; P467-R490 PolarHBondContact O-NH1 3.4Å; P468-R490 PolarHBondContact O-NH1 3.49Å; S488-R490 VanDerWaalsContact C-N 3.34Å; S488-R490 WeakPolarHBondContact OG-CA 3.29Å; S488-R490 PolarHBondContact OG-N 3.33Å; S488-R490 PolarHBondContact OG-O 3.1Å; R490-D492 PolarHBondContact O-N 3.31Å; R490-K493 HydrophobicContact CB-CB 4.37Å; R490-K493 HydrophobicContact CB-CG 4.42Å; R490-K493 PolarHBondContact O-N 3.47Å
491	P	98.1	Very high	97.1	Very high	29 Å²	29	38.1 Å²	38.1	19%	0.188	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-60.5	-18.8	-176.5	24.7	-35.1	0	0	0	113.1	A485 K493 V494 K516	A485-P491 HydrophobicContact CB-CB 4.32Å; P491-K493 PolarHBondContact O-N 2.83Å; P491-V494 PolarHBondContact O-N 2.6Å; P491-K516 HydrophobicContact CB-CB 4.14Å; P491-K516 HydrophobicContact CB-CD 3.91Å; P491-K516 HydrophobicContact CG-CB 4.5Å; P491-K516 HydrophobicContact CG-CD 3.81Å
492	D	98.5	Very high	96.7	Very high	64 Å²	64	40.8 Å²	40.8	34%	0.342	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-65.5	-21.7	171.9	71	-66.8	0	0	0	113.9	R490 K516 S518 T521	R490-D492 PolarHBondContact O-N 3.31Å; D492-K516 VanDerWaalsContact CA-O 3.23Å; D492-K516 WeakPolarHBondContact CA-O 3.06Å; D492-S518 PolarHBondContact O-N 3.13Å; D492-S518 PolarHBondContact O-OG 3.28Å; D492-T521 WeakPolarHBondContact O-CB 3.38Å; D492-T521 PolarHBondContact O-OG1 3.06Å
493	K	98.6	Very high	96.5	Very high	31 Å²	31	35 Å²	35	14%	0.135	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-99.8	3.7	175	-60.8	-53.3	-179.4	-175.8	0	113.7	I471 F472 R490 P491 D520 T521	I471-K493 HydrophobicContact CG1-CD 4.45Å; F472-K493 PolarHBondContact N-O 3.3Å; R490-K493 HydrophobicContact CB-CB 4.37Å; R490-K493 HydrophobicContact CB-CG 4.42Å; R490-K493 PolarHBondContact O-N 3.47Å; P491-K493 PolarHBondContact O-N 2.83Å; K493-D520 IonicContact NZ-OD2 3.53Å; K493-T521 WeakPolarHBondContact CD-OG1 3.29Å
494	V	98.8	Very high	95.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	132.2	175.3	-175.8	0	0	0	0	110.7	L459 F472 I481 A485 S488 P491 T517	L459-V494 HydrophobicContact CD1-CG2 4.49Å; F472-V494 HydrophobicContact CB-CG2 4.44Å; F472-V494 HydrophobicContact CD1-CG1 4.39Å; F472-V494 VanDerWaalsContact O-CA 3.31Å; F472-V494 WeakPolarHBondContact O-CA 3.12Å; I481-V494 HydrophobicContact CG2-CG1 4.12Å; A485-V494 HydrophobicContact CB-CB 3.98Å; A485-V494 HydrophobicContact CB-CG1 3.8Å; A485-V494 HydrophobicContact CB-CG2 4.44Å; S488-V494 WeakPolarHBondContact OG-CG2 3.48Å; P491-V494 PolarHBondContact O-N 2.6Å; V494-T517 WeakPolarHBondContact O-CG2 3.28Å; V494-T517 PolarHBondContact O-OG1 2.87Å
495	I	98.8	Very high	95.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	158.5	-178.4	-164	169.2	0	0	0	110.9	I471 F472 A473 S474 I511 I512 T513 T517 T521 T522 A525	I471-I495 HydrophobicContact CG2-CG2 3.87Å; F472-I495 PolarHBondContact O-N 2.85Å; A473-I495 CarbonylContact C-O 3.48Å; A473-I495 WeakPolarHBondContact CA-O 3.49Å; A473-I495 HydrophobicContact CB-CG2 3.86Å; S474-I495 PolarHBondContact N-O 3.18Å; I495-I511 HydrophobicContact CD1-CG2 3.52Å; I495-I511 HydrophobicContact CG1-CG2 4.05Å; I495-I512 WeakPolarHBondContact CG1-O 3.4Å; I495-T513 HydrophobicContact CD1-CG2 4.26Å; I495-T517 HydrophobicContact CB-CG2 4.06Å; I495-T517 HydrophobicContact CD1-CG2 3.99Å; I495-T517 HydrophobicContact CG1-CG2 3.96Å; I495-T521 HydrophobicContact CB-CG2 3.89Å; I495-T521 HydrophobicContact CD1-CG2 4.26Å; I495-T521 HydrophobicContact CG2-CG2 3.95Å; I495-T522 HydrophobicContact CD1-CG2 4.46Å; I495-A525 HydrophobicContact CD1-CB 3.82Å; I495-A525 HydrophobicContact CG2-CB 4.27Å
496	G	98.6	Very high	95.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	137.9	167.5	0	0	0	0	0	111.7	S474 I481 I511 I512	S474-G496 WeakPolarHBondContact O-CA 3.27Å; I481-G496 VanDerWaalsContact CD1-CA 3.47Å; G496-I511 WeakPolarHBondContact O-CA 3.39Å; G496-I512 PolarHBondContact N-O 3.14Å; G496-I512 PolarHBondContact O-N 3.36Å
497	M	98.6	Very high	94.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	81.3	169.4	-72.3	-175.1	77.4	0	0	108.2	M443 I445 A473 S474 N475 Y499 L509 A525 V528	M443-M497 HydrophobicContact SD-SD 3.95Å; I445-M497 HydrophobicContact CD1-CE 4.39Å; I445-M497 HydrophobicContact CD1-SD 4.22Å; I445-M497 HydrophobicContact CG1-SD 4.47Å; A473-M497 HydrophobicContact CB-CB 3.99Å; A473-M497 HydrophobicContact CB-CG 3.64Å; A473-M497 HydrophobicContact CB-SD 3.55Å; A473-M497 VanDerWaalsContact CB-SD 3.55Å; S474-M497 PolarHBondContact O-N 3.28Å; N475-M497 WeakPolarHBondContact CA-O 3.43Å; N475-M497 WeakPolarHBondContact CB-O 3.32Å; N475-M497 PolarHBondContact OD1-O 3.29Å; M497-Y499 HydrophobicContact CB-CE2 3.98Å; M497-Y499 HydrophobicContact CE-CE2 4.4Å; M497-Y499 VanDerWaalsContact CE-OH 3.3Å; M497-Y499 WeakPolarHBondContact CE-OH 3.36Å; M497-Y499 WeakPolarHBondContact O-CD2 3.2Å; M497-Y499 PolarHBondContact O-N 3.05Å; M497-L509 HydrophobicContact CB-CD1 4.12Å; M497-L509 HydrophobicContact CE-CD2 3.76Å; M497-A525 HydrophobicContact CE-CB 4.42Å; M497-A525 HydrophobicContact CG-CB 4.22Å; M497-A525 HydrophobicContact SD-CB 3.91Å; M497-V528 HydrophobicContact CE-CG1 4.28Å
498	H	97.9	Very high	94.9	Very high	16 Å²	16	42.5 Å²	42.5	7%	0.074	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	104	-177.2	176.5	-144.3	0	0	0	110.6	T476 F500 L509 E510 I512 T547	T476-H498 PolarHBondContact O-CD2 3.2Å; T476-H498 VanDerWaalsContact O-CD2 3.27Å; H498-F500 AromaticContact CE1-CZ 3.72Å; H498-F500 AromaticContact ND1-CZ 3.79Å; H498-L509 WeakPolarHBondContact O-CD1 3.39Å; H498-E510 HydrophobicContact CB-CB 4.16Å; H498-E510 IonicContact CE1-OE2 3.77Å; H498-E510 IonicContact CG-OE2 2.82Å; H498-E510 PolarHBondContact N-O 3.4Å; H498-E510 IonicContact ND1-OE2 3.78Å; H498-E510 PolarHBondContact ND1-OE2 3.44Å; H498-E510 PolarHBondContact O-N 2.88Å; H498-I512 HydrophobicContact CB-CD1 3.66Å; H498-T547 PolarHBondContact CE1-OG1 3.19Å
499	Y	97.1	Very high	94.9	Very high	3 Å²	3	41.7 Å²	41.7	1%	0.012	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	149.1	175.5	-68.4	-92.1	0	0	0	111.4	M372 I376 I445 N475 M497 V503 L509 Q532	M372-Y499 WeakPolarHBondContact CE-O 3.42Å; I376-Y499 HydrophobicContact CD1-CD2 3.5Å; I376-Y499 VanDerWaalsContact CD1-CD2 3.5Å; I376-Y499 HydrophobicContact CD1-CE2 3.84Å; I376-Y499 HydrophobicContact CD1-CG 4.03Å; I376-Y499 HydrophobicContact CG1-CD1 4.22Å; I376-Y499 HydrophobicContact CG1-CD2 3.78Å; I376-Y499 HydrophobicContact CG1-CE1 4.4Å; I376-Y499 HydrophobicContact CG1-CE2 3.99Å; I376-Y499 HydrophobicContact CG1-CG 3.9Å; I376-Y499 HydrophobicContact CG2-CE2 4.26Å; I445-Y499 HydrophobicContact CD1-CE2 4.19Å; I445-Y499 HydrophobicContact CG2-CE2 4.35Å; N475-Y499 HydrophobicContact CB-CD2 4.41Å; N475-Y499 WeakPolarHBondContact OD1-CB 3.5Å; N475-Y499 WeakPolarHBondContact OD1-CD2 3.4Å; N475-Y499 PolarHBondContact OD1-N 3.47Å; M497-Y499 HydrophobicContact CB-CE2 3.98Å; M497-Y499 HydrophobicContact CE-CE2 4.4Å; M497-Y499 VanDerWaalsContact CE-OH 3.3Å; M497-Y499 WeakPolarHBondContact CE-OH 3.36Å; M497-Y499 WeakPolarHBondContact O-CD2 3.2Å; M497-Y499 PolarHBondContact O-N 3.05Å; Y499-V503 HydrophobicContact CD1-CG1 3.84Å; Y499-V503 HydrophobicContact CG-CG1 4.37Å; Y499-L509 HydrophobicContact CD1-CD1 3.97Å; Y499-L509 HydrophobicContact CD2-CD1 3.96Å; Y499-L509 HydrophobicContact CE1-CD1 3.98Å; Y499-L509 HydrophobicContact CE1-CD2 3.91Å; Y499-L509 HydrophobicContact CE1-CG 4.41Å; Y499-L509 HydrophobicContact CE2-CD1 3.97Å; Y499-L509 HydrophobicContact CG-CD1 3.97Å; Y499-Q532 VanDerWaalsContact CE1-OE1 3.3Å; Y499-Q532 VanDerWaalsContact OH-CD 3.28Å; Y499-Q532 PolarHBondContact OH-NE2 2.83Å; Y499-Q532 VanDerWaalsContact OH-NE2 3.11Å; Y499-Q532 PolarHBondContact OH-OE1 3.33Å
500	F	92.2	Very high	94.9	Very high	20 Å²	20	33.1 Å²	33.1	9%	0.088	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-99	135.1	178.4	-67	-98.1	0	0	0	111.1	H498 P502 V503 M506 L508 E510 T547 L708	H498-F500 AromaticContact CE1-CZ 3.72Å; H498-F500 AromaticContact ND1-CZ 3.79Å; F500-P502 CarbonylContact O-C 3.18Å; F500-V503 WeakPolarHBondContact O-CA 3.27Å; F500-V503 PolarHBondContact O-N 3.1Å; F500-M506 HydrophobicContact CB-CB 3.79Å; F500-M506 HydrophobicContact CB-CE 4.36Å; F500-M506 HydrophobicContact CB-CG 4.05Å; F500-M506 WeakPolarHBondContact O-CB 3.22Å; F500-L508 HydrophobicContact CD2-CB 3.86Å; F500-L508 HydrophobicContact CD2-CD2 4.02Å; F500-L508 HydrophobicContact CD2-CG 4.02Å; F500-L508 WeakPolarHBondContact CD2-O 3.34Å; F500-L508 HydrophobicContact CE1-CD2 4.31Å; F500-L508 HydrophobicContact CE2-CB 4.16Å; F500-L508 HydrophobicContact CE2-CD2 3.51Å; F500-L508 HydrophobicContact CE2-CG 3.78Å; F500-L508 HydrophobicContact CG-CB 4.47Å; F500-L508 HydrophobicContact CZ-CD2 3.69Å; F500-L508 HydrophobicContact CZ-CG 4.46Å; F500-E510 HydrophobicContact CE2-CB 4.06Å; F500-E510 HydrophobicContact CZ-CB 4.41Å; F500-T547 HydrophobicContact CE1-CG2 4.32Å; F500-T547 HydrophobicContact CZ-CG2 3.72Å; F500-T547 WeakPolarHBondContact CZ-OG1 3.48Å; F500-L708 HydrophobicContact CE1-CD2 4.48Å
501	S	86.4	Confident	94.9	Very high	64 Å²	64	31 Å²	31	45%	0.448	16%	0.162	S	C	.	.	S	Bend	trans	-83.1	139.9	178.3	-171.9	0	0	0	0	111.8	M372 M506	M372-S501 VanDerWaalsContact SD-CB 3.57Å; S501-M506 WeakPolarHBondContact O-CG 3.24Å
502	P	89.5	Confident	95	Very high	56 Å²	56	29.7 Å²	29.7	36%	0.364	15%	0.153	S	C	.	.	S	Bend	cis	-74.8	132.5	-10.5	-18.6	33.8	0	0	0	112.6	F500 D504 K505 M506	F500-P502 CarbonylContact O-C 3.18Å; P502-D504 VanDerWaalsContact C-N 3.28Å; P502-D504 WeakPolarHBondContact CB-OD1 3.33Å; P502-D504 PolarHBondContact O-N 3.37Å; P502-K505 PolarHBondContact O-N 3.3Å; P502-M506 WeakPolarHBondContact O-CG 3.32Å; P502-M506 PolarHBondContact O-N 2.89Å
503	V	93.4	Very high	94.9	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.024	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-29.7	-171.5	-175.3	0	0	0	0	113.2	M372 I376 V379 Y499 F500 K505 K534	M372-V503 HydrophobicContact CE-CG2 3.56Å; M372-V503 HydrophobicContact SD-CG2 3.73Å; I376-V503 HydrophobicContact CG1-CG1 4Å; I376-V503 HydrophobicContact CG1-CG2 4.27Å; V379-V503 HydrophobicContact CG1-CG1 4.39Å; V379-V503 HydrophobicContact CG2-CG1 4.05Å; Y499-V503 HydrophobicContact CD1-CG1 3.84Å; Y499-V503 HydrophobicContact CG-CG1 4.37Å; F500-V503 WeakPolarHBondContact O-CA 3.27Å; F500-V503 PolarHBondContact O-N 3.1Å; V503-K505 PolarHBondContact O-N 3.17Å; V503-K534 PolarHBondContact O-NZ 3.26Å
504	D	83.9	Confident	94.9	Very high	69 Å²	69	27.4 Å²	27.4	37%	0.369	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-18	178.9	66.3	-50.2	0	0	0	113.4	P502	P502-D504 VanDerWaalsContact C-N 3.28Å; P502-D504 WeakPolarHBondContact CB-OD1 3.33Å; P502-D504 PolarHBondContact O-N 3.37Å
505	K	88.8	Confident	94.7	Very high	150 Å²	150	33.2 Å²	33.2	65%	0.652	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.2	-41.3	-175.1	-65.6	174.4	-171.1	168.3	0	113	P502 V503	P502-K505 PolarHBondContact O-N 3.3Å; V503-K505 PolarHBondContact O-N 3.17Å
506	M	91.9	Very high	94.7	Very high	56 Å²	56	39.3 Å²	39.3	28%	0.276	20%	0.201	S	C	.	.			trans	-69.8	135.1	-178.7	-65.4	-55.5	-71	0	0	110.2	F500 S501 P502 K534 F706	F500-M506 HydrophobicContact CB-CB 3.79Å; F500-M506 HydrophobicContact CB-CE 4.36Å; F500-M506 HydrophobicContact CB-CG 4.05Å; F500-M506 WeakPolarHBondContact O-CB 3.22Å; S501-M506 WeakPolarHBondContact O-CG 3.24Å; P502-M506 WeakPolarHBondContact O-CG 3.32Å; P502-M506 PolarHBondContact O-N 2.89Å; M506-K534 PolarHBondContact O-NZ 3.35Å; M506-F706 WeakPolarHBondContact CE-O 3.31Å
507	Q	90.5	Very high	94.7	Very high	90 Å²	90	40.1 Å²	40.1	42%	0.421	21%	0.206	S	C	.	.			trans	-91.3	-27.4	-174.5	-65.3	-175.9	-19.4	0	0	112.5	K534 V535	Q507-K534 CarbonylContact O-C 3.51Å; Q507-K534 WeakPolarHBondContact O-CA 3.39Å; Q507-K534 WeakPolarHBondContact O-CB 3.23Å; Q507-K534 WeakPolarHBondContact O-CD 3.3Å; Q507-V535 HydrophobicContact CB-CG2 4.23Å; Q507-V535 PolarHBondContact O-N 3.03Å
508	L	97.1	Very high	94.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	145.1	-176.8	-169.4	69.1	0	0	0	112.1	F500 V535 I537 T547 G703 F706	F500-L508 HydrophobicContact CD2-CB 3.86Å; F500-L508 HydrophobicContact CD2-CD2 4.02Å; F500-L508 HydrophobicContact CD2-CG 4.02Å; F500-L508 WeakPolarHBondContact CD2-O 3.34Å; F500-L508 HydrophobicContact CE1-CD2 4.31Å; F500-L508 HydrophobicContact CE2-CB 4.16Å; F500-L508 HydrophobicContact CE2-CD2 3.51Å; F500-L508 HydrophobicContact CE2-CG 3.78Å; F500-L508 HydrophobicContact CG-CB 4.47Å; F500-L508 HydrophobicContact CZ-CD2 3.69Å; F500-L508 HydrophobicContact CZ-CG 4.46Å; L508-V535 CarbonylContact C-O 3.57Å; L508-V535 WeakPolarHBondContact CA-O 3.42Å; L508-I537 HydrophobicContact CD1-CD1 4.31Å; L508-I537 HydrophobicContact CD1-CG1 4.19Å; L508-I537 HydrophobicContact CD1-CG2 3.98Å; L508-I537 HydrophobicContact CD2-CD1 4.31Å; L508-T547 HydrophobicContact CD2-CG2 4.31Å; L508-G703 WeakPolarHBondContact CD2-O 3.41Å; L508-F706 HydrophobicContact CB-CB 4.28Å
509	L	98.2	Very high	94.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	122.2	162	165.2	60.2	0	0	0	107.3	M497 H498 Y499 I511 K534 V535 I536 I537	M497-L509 HydrophobicContact CB-CD1 4.12Å; M497-L509 HydrophobicContact CE-CD2 3.76Å; H498-L509 WeakPolarHBondContact O-CD1 3.39Å; Y499-L509 HydrophobicContact CD1-CD1 3.97Å; Y499-L509 HydrophobicContact CD2-CD1 3.96Å; Y499-L509 HydrophobicContact CE1-CD1 3.98Å; Y499-L509 HydrophobicContact CE1-CD2 3.91Å; Y499-L509 HydrophobicContact CE1-CG 4.41Å; Y499-L509 HydrophobicContact CE2-CD1 3.97Å; Y499-L509 HydrophobicContact CG-CD1 3.97Å; L509-I511 HydrophobicContact CD2-CG1 4.46Å; L509-I511 HydrophobicContact CG-CG1 4.14Å; L509-K534 HydrophobicContact CB-CB 3.87Å; L509-K534 HydrophobicContact CB-CG 4.11Å; L509-K534 HydrophobicContact CD2-CG 4.47Å; L509-V535 PolarHBondContact N-O 3.05Å; L509-I536 HydrophobicContact CB-CD1 3.78Å; L509-I536 HydrophobicContact CD2-CD1 3.71Å; L509-I536 HydrophobicContact CG-CD1 3.98Å; L509-I536 WeakPolarHBondContact O-CA 3.43Å; L509-I537 PolarHBondContact O-N 2.82Å
510	E	98.3	Very high	94.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	121.7	175	178.1	178.6	-144.8	0	0	108.3	H498 F500 I512 I537 V539 F545 Y546 T547	H498-E510 HydrophobicContact CB-CB 4.16Å; H498-E510 IonicContact CE1-OE2 3.77Å; H498-E510 IonicContact CG-OE2 2.82Å; H498-E510 PolarHBondContact N-O 3.4Å; H498-E510 IonicContact ND1-OE2 3.78Å; H498-E510 PolarHBondContact ND1-OE2 3.44Å; H498-E510 PolarHBondContact O-N 2.88Å; F500-E510 HydrophobicContact CE2-CB 4.06Å; F500-E510 HydrophobicContact CZ-CB 4.41Å; E510-I512 HydrophobicContact CB-CD1 4.47Å; E510-I512 HydrophobicContact CG-CD1 3.94Å; E510-I512 HydrophobicContact CG-CG1 4.41Å; E510-I512 WeakPolarHBondContact O-CD1 3.38Å; E510-I537 HydrophobicContact CB-CD1 4.11Å; E510-I537 HydrophobicContact CB-CG1 3.96Å; E510-I537 HydrophobicContact CG-CD1 4.05Å; E510-I537 HydrophobicContact CG-CG1 4.07Å; E510-V539 HydrophobicContact CG-CG1 4.31Å; E510-V539 HydrophobicContact CG-CG2 3.72Å; E510-F545 WeakPolarHBondContact OE1-CB 3.41Å; E510-Y546 WeakPolarHBondContact OE1-CB 3.3Å; E510-Y546 PolarHBondContact OE1-N 3.33Å; E510-T547 PolarHBondContact OE1-N 3.24Å; E510-T547 VanDerWaalsContact OE1-N 3.16Å; E510-T547 PolarHBondContact OE2-OG1 3.24Å
511	I	98.5	Very high	95	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	122.6	177.5	-64.8	-176.9	0	0	0	108.4	I495 G496 L509 A525 V526 I536 I537 V538 V539	I495-I511 HydrophobicContact CD1-CG2 3.52Å; I495-I511 HydrophobicContact CG1-CG2 4.05Å; G496-I511 WeakPolarHBondContact O-CA 3.39Å; L509-I511 HydrophobicContact CD2-CG1 4.46Å; L509-I511 HydrophobicContact CG-CG1 4.14Å; I511-A525 HydrophobicContact CD1-CB 4.1Å; I511-A525 HydrophobicContact CG2-CB 4.45Å; I511-V526 HydrophobicContact CD1-CB 4.16Å; I511-V526 HydrophobicContact CD1-CG2 3.58Å; I511-I536 HydrophobicContact CB-CG2 4.5Å; I511-I536 HydrophobicContact CD1-CG2 3.5Å; I511-I536 VanDerWaalsContact CD1-CG2 3.5Å; I511-I536 HydrophobicContact CG1-CG2 3.9Å; I511-I537 PolarHBondContact N-O 3.31Å; I511-V538 HydrophobicContact CB-CG2 4.17Å; I511-V538 HydrophobicContact CG2-CG1 4.4Å; I511-V538 HydrophobicContact CG2-CG2 4.49Å; I511-V538 CarbonylContact O-C 3.58Å; I511-V538 WeakPolarHBondContact O-CA 3.46Å; I511-V539 PolarHBondContact O-N 2.8Å
512	I	98.5	Very high	95.6	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	128	-173.4	-57	74.4	0	0	0	108.9	I481 I495 G496 H498 E510 V539 D541 F545	I481-I512 HydrophobicContact CB-CG2 4.33Å; I481-I512 HydrophobicContact CG1-CB 3.79Å; I481-I512 HydrophobicContact CG1-CG2 3.61Å; I495-I512 WeakPolarHBondContact CG1-O 3.4Å; G496-I512 PolarHBondContact N-O 3.14Å; G496-I512 PolarHBondContact O-N 3.36Å; H498-I512 HydrophobicContact CB-CD1 3.66Å; E510-I512 HydrophobicContact CB-CD1 4.47Å; E510-I512 HydrophobicContact CG-CD1 3.94Å; E510-I512 HydrophobicContact CG-CG1 4.41Å; E510-I512 WeakPolarHBondContact O-CD1 3.38Å; I512-V539 HydrophobicContact CB-CG2 4.38Å; I512-V539 HydrophobicContact CG1-CG2 3.87Å; I512-D541 HydrophobicContact CG2-CB 3.84Å; I512-F545 HydrophobicContact CB-CD1 4.25Å; I512-F545 HydrophobicContact CB-CE1 4.25Å; I512-F545 HydrophobicContact CD1-CD2 3.93Å; I512-F545 HydrophobicContact CD1-CE2 4.02Å; I512-F545 HydrophobicContact CD1-CG 4.21Å; I512-F545 HydrophobicContact CD1-CZ 4.37Å; I512-F545 HydrophobicContact CG1-CB 4.16Å; I512-F545 HydrophobicContact CG1-CD1 3.52Å; I512-F545 HydrophobicContact CG1-CD2 3.73Å; I512-F545 HydrophobicContact CG1-CE1 3.75Å; I512-F545 HydrophobicContact CG1-CE2 3.94Å; I512-F545 HydrophobicContact CG1-CG 3.51Å; I512-F545 HydrophobicContact CG1-CZ 3.94Å; I512-F545 HydrophobicContact CG2-CD1 3.68Å; I512-F545 HydrophobicContact CG2-CE1 3.73Å; I512-F545 HydrophobicContact CG2-CG 4.49Å
513	T	97.9	Very high	96	Very high	32 Å²	32	45.6 Å²	45.6	20%	0.196	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	133.9	-180	55.2	0	0	0	0	111.4	I495 T517 T522 V538 V539 D541	I495-T513 HydrophobicContact CD1-CG2 4.26Å; T513-T517 HydrophobicContact CG2-CG2 4.46Å; T513-T522 HydrophobicContact CG2-CG2 3.87Å; T513-T522 WeakPolarHBondContact CG2-OG1 3.28Å; T513-V538 HydrophobicContact CG2-CG1 3.81Å; T513-V539 PolarHBondContact N-O 3.47Å; T513-V539 PolarHBondContact OG1-O 3.27Å; T513-V539 VanDerWaalsContact OG1-O 3.1Å; T513-D541 PolarHBondContact O-N 2.98Å
514	T	97.4	Very high	96.3	Very high	15 Å²	15	45.7 Å²	45.7	9%	0.092	22%	0.224	C	C	.	.			trans	-92.1	171	170.1	71.4	0	0	0	0	110.2	I481 K482 K516 T517 D541	I481-T514 HydrophobicContact CB-CG2 3.8Å; I481-T514 HydrophobicContact CG2-CG2 3.67Å; K482-T514 HydrophobicContact CB-CG2 4.2Å; T514-K516 PolarHBondContact O-N 2.78Å; T514-K516 PolarHBondContact OG1-N 2.87Å; T514-T517 PolarHBondContact N-OG1 3.14Å; T514-T517 VanDerWaalsContact N-OG1 3.1Å; T514-T517 PolarHBondContact O-N 2.88Å; T514-T517 PolarHBondContact OG1-N 2.89Å; T514-T517 VanDerWaalsContact OG1-N 3.11Å; T514-T517 PolarHBondContact OG1-OG1 3.1Å; T514-D541 HydrophobicContact CG2-CB 4.11Å
515	D	95.9	Very high	97	Very high	123 Å²	123	42.4 Å²	42.4	66%	0.658	21%	0.207	S	C	*	.	S	Bend	trans	-59.4	-26.1	170.3	58.9	-33.5	0	0	0	113.3
516	K	98	Very high	97.4	Very high	128 Å²	128	35.3 Å²	35.3	56%	0.557	18%	0.176	S	C	*	.	S	Bend	trans	-92.2	-22.1	179.3	-65	-173.3	-179.4	179.9	0	113.8	P491 D492 T514 S518	P491-K516 HydrophobicContact CB-CB 4.14Å; P491-K516 HydrophobicContact CB-CD 3.91Å; P491-K516 HydrophobicContact CG-CB 4.5Å; P491-K516 HydrophobicContact CG-CD 3.81Å; D492-K516 VanDerWaalsContact CA-O 3.23Å; D492-K516 WeakPolarHBondContact CA-O 3.06Å; T514-K516 PolarHBondContact O-N 2.78Å; T514-K516 PolarHBondContact OG1-N 2.87Å; K516-S518 PolarHBondContact O-N 2.88Å
517	T	98.5	Very high	97.7	Very high	17 Å²	17	34.1 Å²	34.1	10%	0.104	18%	0.175	C	C	.	.			trans	-60.8	124.7	-175.8	-57.6	0	0	0	0	110.7	V494 I495 T513 T514 T521	V494-T517 WeakPolarHBondContact O-CG2 3.28Å; V494-T517 PolarHBondContact O-OG1 2.87Å; I495-T517 HydrophobicContact CB-CG2 4.06Å; I495-T517 HydrophobicContact CD1-CG2 3.99Å; I495-T517 HydrophobicContact CG1-CG2 3.96Å; T513-T517 HydrophobicContact CG2-CG2 4.46Å; T514-T517 PolarHBondContact N-OG1 3.14Å; T514-T517 VanDerWaalsContact N-OG1 3.1Å; T514-T517 PolarHBondContact O-N 2.88Å; T514-T517 PolarHBondContact OG1-N 2.89Å; T514-T517 VanDerWaalsContact OG1-N 3.11Å; T514-T517 PolarHBondContact OG1-OG1 3.1Å; T517-T521 HydrophobicContact CG2-CG2 4.01Å
518	S	98.3	Very high	98.1	Very high	30 Å²	30	30.5 Å²	30.5	21%	0.21	16%	0.159	C	C	.	.			trans	-72.6	150.8	-178.7	79.4	0	0	0	0	112.5	D492 K516 D520 T521 T522	D492-S518 PolarHBondContact O-N 3.13Å; D492-S518 PolarHBondContact O-OG 3.28Å; K516-S518 PolarHBondContact O-N 2.88Å; S518-D520 VanDerWaalsContact C-N 3.26Å; S518-D520 PolarHBondContact O-N 3.37Å; S518-T521 VanDerWaalsContact O-CB 3.31Å; S518-T521 WeakPolarHBondContact O-CB 3.43Å; S518-T521 PolarHBondContact O-N 3.37Å; S518-T521 VanDerWaalsContact O-N 3.1Å; S518-T521 WeakPolarHBondContact OG-CB 3.26Å; S518-T521 PolarHBondContact OG-N 3.15Å; S518-T521 PolarHBondContact OG-OG1 3.38Å; S518-T522 PolarHBondContact O-N 2.87Å; S518-T522 VanDerWaalsContact O-N 3.09Å; S518-T522 PolarHBondContact O-OG1 3.25Å
519	K	97.7	Very high	98.2	Very high	179 Å²	179	30.5 Å²	30.5	78%	0.778	16%	0.159	S	C	*	.	H	α-helix	trans	-58.5	-36.5	176.8	-65.9	-177.4	179	179.2	0	113	T522 A523	K519-T522 PolarHBondContact O-N 3.14Å; K519-A523 WeakPolarHBondContact O-CB 3.49Å; K519-A523 PolarHBondContact O-N 3.42Å
520	D	98.2	Very high	98.1	Very high	55 Å²	55	32.5 Å²	32.5	29%	0.294	17%	0.17	S	C	.	.	H	α-helix	trans	-67.2	-39.5	176.9	178.5	64.5	0	0	0	111.7	A358 K493 S518 T522 A523 S524	A358-D520 VanDerWaalsContact CB-OD1 3.3Å; A358-D520 WeakPolarHBondContact CB-OD1 3.49Å; A358-D520 PolarHBondContact N-OD1 3.42Å; K493-D520 IonicContact NZ-OD2 3.53Å; S518-D520 VanDerWaalsContact C-N 3.26Å; S518-D520 PolarHBondContact O-N 3.37Å; D520-T522 VanDerWaalsContact C-N 3.35Å; D520-T522 PolarHBondContact O-N 2.78Å; D520-A523 PolarHBondContact O-N 2.78Å; D520-S524 WeakPolarHBondContact O-CB 3.37Å; D520-S524 PolarHBondContact O-N 2.9Å
521	T	98.7	Very high	98.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-58.1	-47.8	172.4	-59.9	0	0	0	0	110.9	I471 D492 K493 I495 T517 S518 S524 A525	I471-T521 HydrophobicContact CB-CG2 4.5Å; I471-T521 HydrophobicContact CD1-CG2 4.25Å; I471-T521 HydrophobicContact CG1-CG2 4.04Å; I471-T521 HydrophobicContact CG2-CG2 3.74Å; D492-T521 WeakPolarHBondContact O-CB 3.38Å; D492-T521 PolarHBondContact O-OG1 3.06Å; K493-T521 WeakPolarHBondContact CD-OG1 3.29Å; I495-T521 HydrophobicContact CB-CG2 3.89Å; I495-T521 HydrophobicContact CD1-CG2 4.26Å; I495-T521 HydrophobicContact CG2-CG2 3.95Å; T517-T521 HydrophobicContact CG2-CG2 4.01Å; S518-T521 VanDerWaalsContact O-CB 3.31Å; S518-T521 WeakPolarHBondContact O-CB 3.43Å; S518-T521 PolarHBondContact O-N 3.37Å; S518-T521 VanDerWaalsContact O-N 3.1Å; S518-T521 WeakPolarHBondContact OG-CB 3.26Å; S518-T521 PolarHBondContact OG-N 3.15Å; S518-T521 PolarHBondContact OG-OG1 3.38Å; T521-S524 PolarHBondContact O-N 3.31Å; T521-A525 PolarHBondContact O-N 2.79Å
522	T	98.4	Very high	98	Very high	6 Å²	6	38 Å²	38	4%	0.037	19%	0.194	C	C	.	.	H	α-helix	trans	-61.9	-47.3	175.7	-51	0	0	0	0	111.8	F354 I495 T513 S518 K519 D520 S524 A525 V526 V538	F354-T522 HydrophobicContact CD1-CG2 4.11Å; F354-T522 HydrophobicContact CD2-CG2 3.97Å; F354-T522 HydrophobicContact CE1-CG2 4Å; F354-T522 HydrophobicContact CE2-CG2 3.88Å; F354-T522 HydrophobicContact CG-CG2 4.08Å; F354-T522 HydrophobicContact CZ-CG2 3.88Å; I495-T522 HydrophobicContact CD1-CG2 4.46Å; T513-T522 HydrophobicContact CG2-CG2 3.87Å; T513-T522 WeakPolarHBondContact CG2-OG1 3.28Å; S518-T522 PolarHBondContact O-N 2.87Å; S518-T522 VanDerWaalsContact O-N 3.09Å; S518-T522 PolarHBondContact O-OG1 3.25Å; K519-T522 PolarHBondContact O-N 3.14Å; D520-T522 VanDerWaalsContact C-N 3.35Å; D520-T522 PolarHBondContact O-N 2.78Å; T522-S524 VanDerWaalsContact C-N 3.26Å; T522-S524 PolarHBondContact O-N 2.88Å; T522-A525 PolarHBondContact O-N 3.08Å; T522-V526 HydrophobicContact CG2-CG2 4.26Å; T522-V526 WeakPolarHBondContact O-CB 3.4Å; T522-V526 WeakPolarHBondContact O-CG2 3.29Å; T522-V526 PolarHBondContact O-N 3.09Å; T522-V538 HydrophobicContact CG2-CG1 4.14Å
523	A	98.4	Very high	97.9	Very high	3 Å²	3	40.2 Å²	40.2	3%	0.025	22%	0.216	C	C	.	.	H	α-helix	trans	-58.9	-38.1	178.7	0	0	0	0	0	112.2	N352 F354 P357 K519 D520 A527	N352-A523 PolarHBondContact ND2-O 3.09Å; F354-A523 HydrophobicContact CB-CB 3.79Å; P357-A523 HydrophobicContact CB-CB 4.39Å; K519-A523 WeakPolarHBondContact O-CB 3.49Å; K519-A523 PolarHBondContact O-N 3.42Å; D520-A523 PolarHBondContact O-N 2.78Å; A523-A527 WeakPolarHBondContact O-CB 3.49Å; A523-A527 PolarHBondContact O-N 2.99Å
524	S	98.6	Very high	97.9	Very high	6 Å²	6	39 Å²	39	4%	0.042	21%	0.209	C	C	.	.	H	α-helix	trans	-71.9	-45.5	178	-172.3	0	0	0	0	112.4	I471 D520 T521 T522 V526 A527 V528	I471-S524 WeakPolarHBondContact CD1-OG 3.46Å; D520-S524 WeakPolarHBondContact O-CB 3.37Å; D520-S524 PolarHBondContact O-N 2.9Å; T521-S524 PolarHBondContact O-N 3.31Å; T522-S524 VanDerWaalsContact C-N 3.26Å; T522-S524 PolarHBondContact O-N 2.88Å; S524-V526 VanDerWaalsContact C-N 3.34Å; S524-V526 PolarHBondContact O-N 3.24Å; S524-A527 WeakPolarHBondContact O-CB 3.48Å; S524-A527 PolarHBondContact O-N 3.4Å; S524-A527 VanDerWaalsContact O-N 3.15Å; S524-V528 WeakPolarHBondContact O-CG2 3.44Å; S524-V528 PolarHBondContact O-N 3.25Å
525	A	98.6	Very high	97.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60.1	-43	175.3	0	0	0	0	0	112.1	M443 I495 M497 I511 T521 T522 V528 G529	M443-A525 HydrophobicContact CE-CB 4.33Å; I495-A525 HydrophobicContact CD1-CB 3.82Å; I495-A525 HydrophobicContact CG2-CB 4.27Å; M497-A525 HydrophobicContact CE-CB 4.42Å; M497-A525 HydrophobicContact CG-CB 4.22Å; M497-A525 HydrophobicContact SD-CB 3.91Å; I511-A525 HydrophobicContact CD1-CB 4.1Å; I511-A525 HydrophobicContact CG2-CB 4.45Å; T521-A525 PolarHBondContact O-N 2.79Å; T522-A525 PolarHBondContact O-N 3.08Å; A525-V528 PolarHBondContact O-N 3.39Å; A525-G529 PolarHBondContact O-N 3.31Å
526	V	98.6	Very high	98	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.012	17%	0.174	C	C	.	.	H	α-helix	trans	-61	-45.9	173.8	174.1	0	0	0	0	110.3	N352 F354 I511 T522 S524 V528 G529 L530 I536 V538	N352-V526 HydrophobicContact CB-CG1 3.97Å; N352-V526 WeakPolarHBondContact OD1-CG1 3.21Å; F354-V526 HydrophobicContact CD2-CG2 3.87Å; F354-V526 HydrophobicContact CE2-CG2 4.07Å; I511-V526 HydrophobicContact CD1-CB 4.16Å; I511-V526 HydrophobicContact CD1-CG2 3.58Å; T522-V526 HydrophobicContact CG2-CG2 4.26Å; T522-V526 WeakPolarHBondContact O-CB 3.4Å; T522-V526 WeakPolarHBondContact O-CG2 3.29Å; T522-V526 PolarHBondContact O-N 3.09Å; S524-V526 VanDerWaalsContact C-N 3.34Å; S524-V526 PolarHBondContact O-N 3.24Å; V526-V528 VanDerWaalsContact C-N 3.35Å; V526-V528 PolarHBondContact O-N 2.76Å; V526-G529 PolarHBondContact O-N 3.36Å; V526-L530 HydrophobicContact CG1-CD1 3.85Å; V526-L530 HydrophobicContact CG1-CG 4.24Å; V526-L530 WeakPolarHBondContact O-CB 3.42Å; V526-L530 VanDerWaalsContact O-CG 3.23Å; V526-L530 WeakPolarHBondContact O-CG 3.36Å; V526-L530 PolarHBondContact O-N 3.31Å; V526-I536 HydrophobicContact CG1-CG2 4.42Å; V526-I536 HydrophobicContact CG2-CG2 4.19Å; V526-V538 HydrophobicContact CG2-CG2 3.99Å
527	A	98.4	Very high	98	Very high	31 Å²	31	26.7 Å²	26.7	26%	0.256	15%	0.148	S	C	.	.	H	α-helix	trans	-61.2	-40.7	178.6	0	0	0	0	0	112.8	P357 A523 S524 K531	P357-A527 HydrophobicContact CG-CB 4.06Å; A523-A527 WeakPolarHBondContact O-CB 3.49Å; A523-A527 PolarHBondContact O-N 2.99Å; S524-A527 WeakPolarHBondContact O-CB 3.48Å; S524-A527 PolarHBondContact O-N 3.4Å; S524-A527 VanDerWaalsContact O-N 3.15Å; A527-K531 WeakPolarHBondContact O-CB 3.33Å; A527-K531 PolarHBondContact O-N 3.1Å
528	V	98.5	Very high	97.9	Very high	13 Å²	13	26 Å²	26	8%	0.079	14%	0.144	C	C	.	.	H	α-helix	trans	-64.4	-48.6	175.4	169.8	0	0	0	0	111	V361 L364 M443 M497 S524 A525 V526 L530 K531 Q532	V361-V528 HydrophobicContact CB-CG2 3.71Å; V361-V528 HydrophobicContact CG1-CG2 4.12Å; V361-V528 HydrophobicContact CG2-CG2 3.58Å; L364-V528 HydrophobicContact CD1-CG1 3.88Å; M443-V528 HydrophobicContact CE-CB 4.48Å; M443-V528 HydrophobicContact CE-CG2 3.92Å; M443-V528 HydrophobicContact SD-CB 4.14Å; M443-V528 HydrophobicContact SD-CG1 4.14Å; M443-V528 HydrophobicContact SD-CG2 3.82Å; M497-V528 HydrophobicContact CE-CG1 4.28Å; S524-V528 WeakPolarHBondContact O-CG2 3.44Å; S524-V528 PolarHBondContact O-N 3.25Å; A525-V528 PolarHBondContact O-N 3.39Å; V526-V528 VanDerWaalsContact C-N 3.35Å; V526-V528 PolarHBondContact O-N 2.76Å; V528-L530 VanDerWaalsContact C-N 3.34Å; V528-L530 PolarHBondContact O-N 3.29Å; V528-K531 WeakPolarHBondContact O-CB 3.26Å; V528-K531 PolarHBondContact O-N 2.81Å; V528-K531 VanDerWaalsContact O-N 3.15Å; V528-Q532 WeakPolarHBondContact O-CG 3.35Å; V528-Q532 PolarHBondContact O-N 2.56Å
529	G	98	Very high	97.9	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-57.3	-44.5	176.6	0	0	0	0	0	113	A525 V526 Q532 G533 K534	A525-G529 PolarHBondContact O-N 3.31Å; V526-G529 PolarHBondContact O-N 3.36Å; G529-Q532 WeakPolarHBondContact O-CB 3.26Å; G529-Q532 PolarHBondContact O-N 3.4Å; G529-G533 PolarHBondContact O-N 3.44Å; G529-K534 VanDerWaalsContact O-CB 3.3Å; G529-K534 WeakPolarHBondContact O-CB 3.34Å; G529-K534 PolarHBondContact O-N 3.14Å
530	L	97.8	Very high	97.9	Very high	42 Å²	42	16.9 Å²	16.9	22%	0.22	11%	0.105	C	C	.	.	H	α-helix	trans	-63.7	-41.5	175.6	-68.9	175.3	0	0	0	112	K350 N352 V526 V528 Q532 G533 I536	K350-L530 VanDerWaalsContact C-CD2 3.44Å; K350-L530 HydrophobicContact CB-CD2 4.39Å; K350-L530 WeakPolarHBondContact O-CD2 3.1Å; N352-L530 HydrophobicContact CB-CD1 3.85Å; V526-L530 HydrophobicContact CG1-CD1 3.85Å; V526-L530 HydrophobicContact CG1-CG 4.24Å; V526-L530 WeakPolarHBondContact O-CB 3.42Å; V526-L530 VanDerWaalsContact O-CG 3.23Å; V526-L530 WeakPolarHBondContact O-CG 3.36Å; V526-L530 PolarHBondContact O-N 3.31Å; V528-L530 VanDerWaalsContact C-N 3.34Å; V528-L530 PolarHBondContact O-N 3.29Å; L530-Q532 VanDerWaalsContact C-N 3.31Å; L530-Q532 PolarHBondContact O-N 2.92Å; L530-G533 WeakPolarHBondContact O-CA 3.44Å; L530-G533 PolarHBondContact O-N 2.84Å; L530-I536 HydrophobicContact CD2-CG1 3.74Å; L530-I536 HydrophobicContact CG-CG1 3.99Å
531	K	97.2	Very high	97.8	Very high	105 Å²	105	16 Å²	16	46%	0.457	10%	0.101	S	C	.	.	H	α-helix	trans	-61.9	-39.8	176.1	-173.2	174.5	-178.7	-178.9	0	111.5	K383 V385 A527 V528 G533	K383-K531 HydrophobicContact CB-CG 4.11Å; K383-K531 VanDerWaalsContact CD-O 3.29Å; K383-K531 WeakPolarHBondContact CD-O 3.5Å; K383-K531 WeakPolarHBondContact CE-O 3.38Å; K383-K531 VanDerWaalsContact CG-O 3.24Å; K383-K531 WeakPolarHBondContact CG-O 3.19Å; K383-K531 WeakPolarHBondContact O-CE 3.37Å; V385-K531 HydrophobicContact CG2-CD 3.94Å; V385-K531 VanDerWaalsContact CG2-NZ 3.25Å; A527-K531 WeakPolarHBondContact O-CB 3.33Å; A527-K531 PolarHBondContact O-N 3.1Å; V528-K531 WeakPolarHBondContact O-CB 3.26Å; V528-K531 PolarHBondContact O-N 2.81Å; V528-K531 VanDerWaalsContact O-N 3.15Å; K531-G533 PolarHBondContact O-N 3.49Å; K531-G533 VanDerWaalsContact O-N 3.15Å
532	Q	97.1	Very high	97.5	Very high	12 Å²	12	16.5 Å²	16.5	6%	0.056	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-9.2	172.8	-69.2	166.7	-17.5	0	0	113.1	V379 T380 Y499 V528 G529 L530 K534	V379-Q532 HydrophobicContact CB-CB 4.47Å; V379-Q532 HydrophobicContact CG2-CB 4.24Å; V379-Q532 HydrophobicContact CG2-CG 4.15Å; T380-Q532 PolarHBondContact OG1-NE2 3.36Å; Y499-Q532 VanDerWaalsContact CE1-OE1 3.3Å; Y499-Q532 VanDerWaalsContact OH-CD 3.28Å; Y499-Q532 PolarHBondContact OH-NE2 2.83Å; Y499-Q532 VanDerWaalsContact OH-NE2 3.11Å; Y499-Q532 PolarHBondContact OH-OE1 3.33Å; V528-Q532 WeakPolarHBondContact O-CG 3.35Å; V528-Q532 PolarHBondContact O-N 2.56Å; G529-Q532 WeakPolarHBondContact O-CB 3.26Å; G529-Q532 PolarHBondContact O-N 3.4Å; L530-Q532 VanDerWaalsContact C-N 3.31Å; L530-Q532 PolarHBondContact O-N 2.92Å; Q532-K534 HydrophobicContact CB-CG 4.16Å
533	G	95.4	Very high	97.2	Very high	46 Å²	46	18.2 Å²	18.2	47%	0.474	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.7	22.7	178.5	0	0	0	0	0	113.8	G529 L530 K531	G529-G533 PolarHBondContact O-N 3.44Å; L530-G533 WeakPolarHBondContact O-CA 3.44Å; L530-G533 PolarHBondContact O-N 2.84Å; K531-G533 PolarHBondContact O-N 3.49Å; K531-G533 VanDerWaalsContact O-N 3.15Å
534	K	97.6	Very high	96.8	Very high	7 Å²	7	18.1 Å²	18.1	3%	0.03	12%	0.116	C	C	.	.			trans	-85.6	158.8	179.7	-57.2	-68.6	-180	164.1	0	112.3	V503 M506 Q507 L509 G529 Q532 I536	V503-K534 PolarHBondContact O-NZ 3.26Å; M506-K534 PolarHBondContact O-NZ 3.35Å; Q507-K534 CarbonylContact O-C 3.51Å; Q507-K534 WeakPolarHBondContact O-CA 3.39Å; Q507-K534 WeakPolarHBondContact O-CB 3.23Å; Q507-K534 WeakPolarHBondContact O-CD 3.3Å; L509-K534 HydrophobicContact CB-CB 3.87Å; L509-K534 HydrophobicContact CB-CG 4.11Å; L509-K534 HydrophobicContact CD2-CG 4.47Å; G529-K534 VanDerWaalsContact O-CB 3.3Å; G529-K534 WeakPolarHBondContact O-CB 3.34Å; G529-K534 PolarHBondContact O-N 3.14Å; Q532-K534 HydrophobicContact CB-CG 4.16Å; K534-I536 HydrophobicContact CB-CD1 3.73Å
535	V	97.4	Very high	96.6	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	125.8	165.3	179.9	0	0	0	0	106.5	Q346 C349 K350 Q507 L508 L509 I702	Q346-V535 HydrophobicContact CG-CG1 4.36Å; Q346-V535 HydrophobicContact CG-CG2 3.82Å; C349-V535 HydrophobicContact CB-CG1 3.59Å; K350-V535 HydrophobicContact CG-CG2 4.31Å; Q507-V535 HydrophobicContact CB-CG2 4.23Å; Q507-V535 PolarHBondContact O-N 3.03Å; L508-V535 CarbonylContact C-O 3.57Å; L508-V535 WeakPolarHBondContact CA-O 3.42Å; L509-V535 PolarHBondContact N-O 3.05Å; V535-I702 HydrophobicContact CG1-CG2 3.47Å; V535-I702 VanDerWaalsContact CG1-CG2 3.47Å
536	I	98	Very high	96.6	Very high	6 Å²	6	17.8 Å²	17.8	3%	0.031	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	130.8	-169.9	-49.2	-55.1	0	0	0	110.2	C349 L509 I511 V526 L530 K534 V538	C349-I536 WeakPolarHBondContact CB-O 3.39Å; C349-I536 PolarHBondContact O-N 2.88Å; L509-I536 HydrophobicContact CB-CD1 3.78Å; L509-I536 HydrophobicContact CD2-CD1 3.71Å; L509-I536 HydrophobicContact CG-CD1 3.98Å; L509-I536 WeakPolarHBondContact O-CA 3.43Å; I511-I536 HydrophobicContact CB-CG2 4.5Å; I511-I536 HydrophobicContact CD1-CG2 3.5Å; I511-I536 VanDerWaalsContact CD1-CG2 3.5Å; I511-I536 HydrophobicContact CG1-CG2 3.9Å; V526-I536 HydrophobicContact CG1-CG2 4.42Å; V526-I536 HydrophobicContact CG2-CG2 4.19Å; L530-I536 HydrophobicContact CD2-CG1 3.74Å; L530-I536 HydrophobicContact CG-CG1 3.99Å; K534-I536 HydrophobicContact CB-CD1 3.73Å; I536-V538 HydrophobicContact CG2-CG2 4.14Å
537	I	97.9	Very high	96.4	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	141.7	161.8	64.1	175.3	0	0	0	107.9	L508 L509 E510 I511 V539 Y546 T547 E699 I702	L508-I537 HydrophobicContact CD1-CD1 4.31Å; L508-I537 HydrophobicContact CD1-CG1 4.19Å; L508-I537 HydrophobicContact CD1-CG2 3.98Å; L508-I537 HydrophobicContact CD2-CD1 4.31Å; L509-I537 PolarHBondContact O-N 2.82Å; E510-I537 HydrophobicContact CB-CD1 4.11Å; E510-I537 HydrophobicContact CB-CG1 3.96Å; E510-I537 HydrophobicContact CG-CD1 4.05Å; E510-I537 HydrophobicContact CG-CG1 4.07Å; I511-I537 PolarHBondContact N-O 3.31Å; I537-V539 HydrophobicContact CD1-CG1 4.32Å; I537-V539 HydrophobicContact CG1-CG1 4.41Å; I537-Y546 HydrophobicContact CD1-CD1 4.02Å; I537-T547 HydrophobicContact CD1-CG2 4.13Å; I537-E699 HydrophobicContact CB-CB 4.36Å; I537-E699 HydrophobicContact CG2-CB 4.18Å; I537-E699 WeakPolarHBondContact CG2-O 3.43Å; I537-I702 HydrophobicContact CG2-CB 4.38Å; I537-I702 HydrophobicContact CG2-CG2 4.08Å
538	V	97.9	Very high	96.2	Very high	4 Å²	4	17.1 Å²	17.1	2%	0.024	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	125.2	174.8	-173.3	0	0	0	0	109.9	F354 I511 T513 T522 V526 I536 N695 E699	F354-V538 HydrophobicContact CE2-CB 4.14Å; F354-V538 HydrophobicContact CE2-CG1 4.31Å; F354-V538 HydrophobicContact CE2-CG2 3.53Å; F354-V538 HydrophobicContact CZ-CB 4.03Å; F354-V538 HydrophobicContact CZ-CG1 3.91Å; F354-V538 HydrophobicContact CZ-CG2 3.95Å; I511-V538 HydrophobicContact CB-CG2 4.17Å; I511-V538 HydrophobicContact CG2-CG1 4.4Å; I511-V538 HydrophobicContact CG2-CG2 4.49Å; I511-V538 CarbonylContact O-C 3.58Å; I511-V538 WeakPolarHBondContact O-CA 3.46Å; T513-V538 HydrophobicContact CG2-CG1 3.81Å; T522-V538 HydrophobicContact CG2-CG1 4.14Å; V526-V538 HydrophobicContact CG2-CG2 3.99Å; I536-V538 HydrophobicContact CG2-CG2 4.14Å; V538-N695 PolarHBondContact O-ND2 3.39Å; V538-E699 PolarHBondContact N-OE1 3.39Å
539	V	97.7	Very high	96.1	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	156	-173	-55.3	0	0	0	0	111.3	E510 I511 I512 T513 I537 F545 I693 L694	E510-V539 HydrophobicContact CG-CG1 4.31Å; E510-V539 HydrophobicContact CG-CG2 3.72Å; I511-V539 PolarHBondContact O-N 2.8Å; I512-V539 HydrophobicContact CB-CG2 4.38Å; I512-V539 HydrophobicContact CG1-CG2 3.87Å; T513-V539 PolarHBondContact N-O 3.47Å; T513-V539 PolarHBondContact OG1-O 3.27Å; T513-V539 VanDerWaalsContact OG1-O 3.1Å; I537-V539 HydrophobicContact CD1-CG1 4.32Å; I537-V539 HydrophobicContact CG1-CG1 4.41Å; V539-F545 HydrophobicContact CG2-CB 4.29Å; V539-I693 CarbonylContact C-O 3.53Å; V539-I693 VanDerWaalsContact CA-O 3.24Å; V539-I693 WeakPolarHBondContact CA-O 2.74Å; V539-I693 HydrophobicContact CB-CG2 4.18Å; V539-I693 WeakPolarHBondContact CB-O 3.48Å; V539-L694 HydrophobicContact CG1-CD2 4.09Å
540	G	97.2	Very high	96	Very high	17 Å²	17	16.7 Å²	16.7	18%	0.175	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	155.8	167.3	0	0	0	0	0	111.6	I693	G540-I693 PolarHBondContact N-O 3.02Å
541	D	96.6	Very high	95.8	Very high	37 Å²	37	15.9 Å²	15.9	20%	0.198	10%	0.099	C	C	.	.			trans	-73.5	143.9	175.6	-170	37.5	0	0	0	112.5	P480 I481 K482 I512 T513 T514 F545	P480-D541 WeakPolarHBondContact CA-OD1 3.42Å; I481-D541 PolarHBondContact N-OD1 3.33Å; I481-D541 PolarHBondContact N-OD2 2.79Å; K482-D541 WeakPolarHBondContact CB-OD2 3.19Å; K482-D541 PolarHBondContact N-OD2 2.9Å; I512-D541 HydrophobicContact CG2-CB 3.84Å; T513-D541 PolarHBondContact O-N 2.98Å; T514-D541 HydrophobicContact CG2-CB 4.11Å; D541-F545 WeakPolarHBondContact OD1-CE1 3.27Å
542	G	92.6	Very high	95.6	Very high	9 Å²	9	11.6 Å²	11.6	9%	0.093	8%	0.083	C	C	.	.			trans	175.6	162	179.2	0	0	0	0	0	111.3	G544 F545	G542-G544 PolarHBondContact O-N 3.27Å; G542-G544 VanDerWaalsContact O-N 3.11Å; G542-F545 VanDerWaalsContact O-CD1 3.23Å; G542-F545 WeakPolarHBondContact O-CD1 3.28Å; G542-F545 PolarHBondContact O-N 3.21Å
543	P	91.4	Very high	95.5	Very high	43 Å²	43	11.1 Å²	11.1	28%	0.279	8%	0.081	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	117	179.6	-23.6	33.7	0	0	0	111.7	P480 F545 L603 A606 F607	P480-P543 HydrophobicContact CG-CG 4.25Å; P543-F545 PolarHBondContact O-N 3.36Å; P543-L603 HydrophobicContact CB-CD2 3.95Å; P543-A606 HydrophobicContact CB-CB 3.88Å; P543-A606 HydrophobicContact CG-CB 4.05Å; P543-F607 HydrophobicContact CB-CE2 4.04Å; P543-F607 HydrophobicContact CB-CZ 3.95Å; P543-F607 HydrophobicContact CG-CZ 4.26Å
544	G	90.5	Very high	95.5	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	71	10.8	-176.2	0	0	0	0	0	115.6	A478 G542 T548 R549	A478-G544 PolarHBondContact O-N 2.98Å; G542-G544 PolarHBondContact O-N 3.27Å; G542-G544 VanDerWaalsContact O-N 3.11Å; G544-T548 VanDerWaalsContact O-CB 3.3Å; G544-T548 WeakPolarHBondContact O-CB 3.24Å; G544-T548 PolarHBondContact O-N 2.64Å; G544-R549 PolarHBondContact O-N 2.7Å
545	F	95.3	Very high	95.3	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	52	-134.9	177	-45.7	-48.8	0	0	0	113.1	T476 L479 I481 E510 I512 V539 D541 G542 P543 R549	T476-F545 HydrophobicContact CG2-CE2 4.19Å; T476-F545 HydrophobicContact CG2-CZ 3.84Å; L479-F545 VanDerWaalsContact O-CZ 3.26Å; L479-F545 WeakPolarHBondContact O-CZ 3.05Å; I481-F545 HydrophobicContact CD1-CE1 4.44Å; I481-F545 HydrophobicContact CD1-CZ 3.99Å; I481-F545 HydrophobicContact CG1-CE1 4.01Å; I481-F545 HydrophobicContact CG1-CZ 4.06Å; E510-F545 WeakPolarHBondContact OE1-CB 3.41Å; I512-F545 HydrophobicContact CB-CD1 4.25Å; I512-F545 HydrophobicContact CB-CE1 4.25Å; I512-F545 HydrophobicContact CD1-CD2 3.93Å; I512-F545 HydrophobicContact CD1-CE2 4.02Å; I512-F545 HydrophobicContact CD1-CG 4.21Å; I512-F545 HydrophobicContact CD1-CZ 4.37Å; I512-F545 HydrophobicContact CG1-CB 4.16Å; I512-F545 HydrophobicContact CG1-CD1 3.52Å; I512-F545 HydrophobicContact CG1-CD2 3.73Å; I512-F545 HydrophobicContact CG1-CE1 3.75Å; I512-F545 HydrophobicContact CG1-CE2 3.94Å; I512-F545 HydrophobicContact CG1-CG 3.51Å; I512-F545 HydrophobicContact CG1-CZ 3.94Å; I512-F545 HydrophobicContact CG2-CD1 3.68Å; I512-F545 HydrophobicContact CG2-CE1 3.73Å; I512-F545 HydrophobicContact CG2-CG 4.49Å; V539-F545 HydrophobicContact CG2-CB 4.29Å; D541-F545 WeakPolarHBondContact OD1-CE1 3.27Å; G542-F545 VanDerWaalsContact O-CD1 3.23Å; G542-F545 WeakPolarHBondContact O-CD1 3.28Å; G542-F545 PolarHBondContact O-N 3.21Å; P543-F545 PolarHBondContact O-N 3.36Å; F545-R549 VanDerWaalsContact O-CB 3.24Å; F545-R549 WeakPolarHBondContact O-CB 3.24Å
546	Y	97.3	Very high	95.2	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-50.7	169.3	166.5	-118.6	0	0	0	110.5	E510 I537 C550 A685 C688 L694 G700	E510-Y546 WeakPolarHBondContact OE1-CB 3.3Å; E510-Y546 PolarHBondContact OE1-N 3.33Å; I537-Y546 HydrophobicContact CD1-CD1 4.02Å; Y546-C550 VanDerWaalsContact CD2-SG 3.56Å; Y546-C550 WeakPolarHBondContact CE2-SG 3.29Å; Y546-C550 PolarHBondContact O-N 2.88Å; Y546-C550 VanDerWaalsContact O-N 3.08Å; Y546-C550 PolarHBondContact O-SG 3.03Å; Y546-A685 HydrophobicContact CE2-CB 3.95Å; Y546-C688 HydrophobicContact CD2-CB 3.81Å; Y546-C688 HydrophobicContact CE2-CB 4.4Å; Y546-L694 HydrophobicContact CD1-CD2 3.9Å; Y546-L694 HydrophobicContact CD2-CD1 3.58Å; Y546-L694 HydrophobicContact CD2-CD2 3.97Å; Y546-L694 HydrophobicContact CD2-CG 3.72Å; Y546-L694 HydrophobicContact CE1-CD2 4.25Å; Y546-L694 HydrophobicContact CE2-CD1 3.41Å; Y546-L694 VanDerWaalsContact CE2-CD1 3.41Å; Y546-L694 HydrophobicContact CE2-CD2 4.33Å; Y546-L694 HydrophobicContact CE2-CG 4.07Å; Y546-L694 HydrophobicContact CG-CD1 4.24Å; Y546-L694 HydrophobicContact CG-CD2 3.75Å; Y546-L694 HydrophobicContact CG-CG 3.99Å; Y546-G700 WeakPolarHBondContact CE1-O 3.37Å; Y546-G700 PolarHBondContact OH-O 3.38Å
547	T	95.1	Very high	95.1	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-71.9	-56.7	-164.9	62.1	0	0	0	0	113.5	H498 F500 L508 E510 I537 R549 C550 L551 L708	H498-T547 PolarHBondContact CE1-OG1 3.19Å; F500-T547 HydrophobicContact CE1-CG2 4.32Å; F500-T547 HydrophobicContact CZ-CG2 3.72Å; F500-T547 WeakPolarHBondContact CZ-OG1 3.48Å; L508-T547 HydrophobicContact CD2-CG2 4.31Å; E510-T547 PolarHBondContact OE1-N 3.24Å; E510-T547 VanDerWaalsContact OE1-N 3.16Å; E510-T547 PolarHBondContact OE2-OG1 3.24Å; I537-T547 HydrophobicContact CD1-CG2 4.13Å; T547-R549 VanDerWaalsContact C-N 3.26Å; T547-R549 PolarHBondContact O-N 2.87Å; T547-C550 PolarHBondContact O-N 3.24Å; T547-L551 PolarHBondContact O-N 3.31Å; T547-L551 VanDerWaalsContact O-N 3.09Å; T547-L708 VanDerWaalsContact O-CD1 3.28Å; T547-L708 WeakPolarHBondContact O-CD1 3.49Å
548	T	93.9	Very high	94.9	Very high	19 Å²	19	11.1 Å²	11.1	12%	0.117	7%	0.074	C	C	.	.	H	α-helix	trans	-60.5	-39.1	178.8	-50.3	0	0	0	0	111.1	S477 G544 C550 L551 A552 V599 L603	S477-T548 VanDerWaalsContact O-CB 3.3Å; S477-T548 WeakPolarHBondContact O-CB 3.28Å; S477-T548 PolarHBondContact O-OG1 3.3Å; G544-T548 VanDerWaalsContact O-CB 3.3Å; G544-T548 WeakPolarHBondContact O-CB 3.24Å; G544-T548 PolarHBondContact O-N 2.64Å; T548-C550 PolarHBondContact O-N 3.11Å; T548-L551 PolarHBondContact O-N 3.28Å; T548-A552 WeakPolarHBondContact O-CB 3.32Å; T548-A552 PolarHBondContact O-N 3.47Å; T548-V599 HydrophobicContact CG2-CG1 3.58Å; T548-L603 HydrophobicContact CG2-CD1 4.14Å
549	R	95.6	Very high	94.8	Very high	3 Å²	3	11.9 Å²	11.9	1%	0.011	8%	0.079	C	C	.	.	H	α-helix	trans	-58.7	-44.1	176.2	-177.8	177.8	167.1	166.6	-0.1	112.8	G544 F545 T547 P553 F607 R610 F611 E684 C688 E691	G544-R549 PolarHBondContact O-N 2.7Å; F545-R549 VanDerWaalsContact O-CB 3.24Å; F545-R549 WeakPolarHBondContact O-CB 3.24Å; T547-R549 VanDerWaalsContact C-N 3.26Å; T547-R549 PolarHBondContact O-N 2.87Å; R549-P553 WeakPolarHBondContact O-CD 2.94Å; R549-F607 HydrophobicContact CG-CE2 4.23Å; R549-F607 HydrophobicContact CG-CZ 4.47Å; R549-R610 VanDerWaalsContact NH2-NH2 3.19Å; R549-F611 HydrophobicContact CG-CE1 4.44Å; R549-F611 HydrophobicContact CG-CZ 3.81Å; R549-F611 WeakPolarHBondContact O-CZ 3.47Å; R549-E684 IonicContact CZ-OE2 2.79Å; R549-E684 IonicContact NE-OE2 2.65Å; R549-E684 PolarHBondContact NE-OE2 3.36Å; R549-E684 IonicContact NH2-OE2 3.5Å; R549-E684 PolarHBondContact NH2-OE2 2.92Å; R549-E684 VanDerWaalsContact NH2-OE2 3.12Å; R549-C688 VanDerWaalsContact CD-SG 3.6Å; R549-E691 IonicContact CZ-OE1 3.39Å; R549-E691 IonicContact CZ-OE2 3.91Å; R549-E691 VanDerWaalsContact CZ-OE2 3.29Å; R549-E691 IonicContact NH1-OE1 3.65Å; R549-E691 IonicContact NH1-OE2 2.89Å; R549-E691 PolarHBondContact NH1-OE2 2.86Å; R549-E691 VanDerWaalsContact NH2-CD 3.27Å; R549-E691 IonicContact NH2-OE1 3.88Å; R549-E691 PolarHBondContact NH2-OE1 3.38Å; R549-E691 IonicContact NH2-OE2 3.43Å; R549-E691 PolarHBondContact NH2-OE2 3.45Å; R549-E691 VanDerWaalsContact NH2-OE2 3.1Å
550	C	96.1	Very high	94.7	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-72.8	-32.8	178.4	-65.5	0	0	0	0	112.7	Y546 T547 T548 F681 A685 L708	Y546-C550 VanDerWaalsContact CD2-SG 3.56Å; Y546-C550 WeakPolarHBondContact CE2-SG 3.29Å; Y546-C550 PolarHBondContact O-N 2.88Å; Y546-C550 VanDerWaalsContact O-N 3.08Å; Y546-C550 PolarHBondContact O-SG 3.03Å; T547-C550 PolarHBondContact O-N 3.24Å; T548-C550 PolarHBondContact O-N 3.11Å; C550-F681 HydrophobicContact CB-CD2 4.29Å; C550-F681 HydrophobicContact CB-CE1 4.46Å; C550-F681 HydrophobicContact CB-CE2 4.12Å; C550-F681 HydrophobicContact CB-CZ 4.2Å; C550-F681 VanDerWaalsContact O-CD2 3.29Å; C550-F681 WeakPolarHBondContact O-CD2 3.42Å; C550-A685 VanDerWaalsContact SG-CA 3.55Å; C550-L708 HydrophobicContact CB-CD1 4.16Å
551	L	94.4	Very high	94.6	Very high	25 Å²	25	12.5 Å²	12.5	13%	0.131	8%	0.076	C	C	.	.	H	α-helix	trans	-74.7	-38.2	-177.9	-174.1	66.1	0	0	0	112.7	T547 T548 M554 L555 L587 L708	T547-L551 PolarHBondContact O-N 3.31Å; T547-L551 VanDerWaalsContact O-N 3.09Å; T548-L551 PolarHBondContact O-N 3.28Å; L551-M554 HydrophobicContact CD1-CE 3.5Å; L551-M554 WeakPolarHBondContact O-CB 3.47Å; L551-M554 PolarHBondContact O-N 3.18Å; L551-M554 VanDerWaalsContact O-N 3.14Å; L551-L555 HydrophobicContact CD1-CG 4.43Å; L551-L555 HydrophobicContact CD2-CD1 4.11Å; L551-L555 HydrophobicContact CG-CD1 3.99Å; L551-L555 HydrophobicContact CG-CG 4.17Å; L551-L555 PolarHBondContact O-N 3.46Å; L551-L555 VanDerWaalsContact O-N 3.12Å; L551-L587 HydrophobicContact CD1-CD2 4.01Å; L551-L708 HydrophobicContact CB-CD1 4.41Å; L551-L708 HydrophobicContact CB-CD2 4.05Å; L551-L708 HydrophobicContact CD2-CD2 4.14Å; L551-L708 HydrophobicContact CG-CD2 4.48Å
552	A	93.6	Very high	94.6	Very high	16 Å²	16	11.6 Å²	11.6	13%	0.132	7%	0.071	C	C	.	.	H	α-helix	trans	-58.6	-45.4	-171.7	0	0	0	0	0	114.3	T548 M554 L555 A556 L603 F611	T548-A552 WeakPolarHBondContact O-CB 3.32Å; T548-A552 PolarHBondContact O-N 3.47Å; A552-M554 VanDerWaalsContact C-N 3.29Å; A552-M554 PolarHBondContact O-N 2.61Å; A552-L555 PolarHBondContact O-N 3.49Å; A552-A556 WeakPolarHBondContact O-CB 3.27Å; A552-A556 PolarHBondContact O-N 2.82Å; A552-L603 HydrophobicContact CB-CD1 3.64Å; A552-F611 HydrophobicContact CB-CD1 4.04Å; A552-F611 HydrophobicContact CB-CE1 3.89Å
553	P	95.1	Very high	94.7	Very high	2 Å²	2	11.5 Å²	11.5	1%	0.013	7%	0.068	C	C	.	.	H	α-helix	trans	-61.4	-35.7	175.9	-23.6	32.8	0	0	0	113.4	R549 A556 E557 F611 R680 E684	R549-P553 WeakPolarHBondContact O-CD 2.94Å; P553-A556 PolarHBondContact O-N 3.22Å; P553-E557 WeakPolarHBondContact O-CB 3.04Å; P553-E557 PolarHBondContact O-N 2.9Å; P553-F611 HydrophobicContact CG-CD1 4.15Å; P553-F611 HydrophobicContact CG-CD2 4.23Å; P553-F611 HydrophobicContact CG-CE1 3.83Å; P553-F611 HydrophobicContact CG-CE2 3.89Å; P553-F611 HydrophobicContact CG-CG 4.34Å; P553-F611 HydrophobicContact CG-CZ 3.67Å; P553-R680 HydrophobicContact CB-CB 3.96Å; P553-E684 HydrophobicContact CG-CG 3.79Å
554	M	95.2	Very high	94.9	Very high	4 Å²	4	10.1 Å²	10.1	2%	0.02	6%	0.058	C	C	.	.	H	α-helix	trans	-65.1	-41.6	176.9	-172.1	-172.3	80.1	0	0	111	L551 A552 E557 A558 F580 L587 L677 F681	L551-M554 HydrophobicContact CD1-CE 3.5Å; L551-M554 WeakPolarHBondContact O-CB 3.47Å; L551-M554 PolarHBondContact O-N 3.18Å; L551-M554 VanDerWaalsContact O-N 3.14Å; A552-M554 VanDerWaalsContact C-N 3.29Å; A552-M554 PolarHBondContact O-N 2.61Å; M554-E557 PolarHBondContact O-N 3.05Å; M554-A558 WeakPolarHBondContact O-CB 3.44Å; M554-A558 PolarHBondContact O-N 2.83Å; M554-F580 HydrophobicContact SD-CE1 4Å; M554-F580 HydrophobicContact SD-CZ 3.95Å; M554-L587 HydrophobicContact CE-CD2 4.05Å; M554-L677 HydrophobicContact CG-CB 3.93Å; M554-L677 HydrophobicContact CG-CD2 4.11Å; M554-L677 HydrophobicContact CG-CG 4.15Å; M554-F681 HydrophobicContact CB-CB 4.45Å; M554-F681 HydrophobicContact SD-CD2 4.24Å
555	L	93	Very high	95	Very high	28 Å²	28	12.6 Å²	12.6	15%	0.147	8%	0.084	C	C	.	.	H	α-helix	trans	-71.6	-38.2	176.8	-66.5	-178.7	0	0	0	112.1	L551 A552 E557 A558 V559 L587	L551-L555 HydrophobicContact CD1-CG 4.43Å; L551-L555 HydrophobicContact CD2-CD1 4.11Å; L551-L555 HydrophobicContact CG-CD1 3.99Å; L551-L555 HydrophobicContact CG-CG 4.17Å; L551-L555 PolarHBondContact O-N 3.46Å; L551-L555 VanDerWaalsContact O-N 3.12Å; A552-L555 PolarHBondContact O-N 3.49Å; L555-E557 VanDerWaalsContact C-N 3.25Å; L555-E557 PolarHBondContact O-N 3.12Å; L555-A558 WeakPolarHBondContact O-CB 3.23Å; L555-A558 PolarHBondContact O-N 2.88Å; L555-A558 VanDerWaalsContact O-N 3.16Å; L555-V559 WeakPolarHBondContact O-CG2 3.33Å; L555-V559 PolarHBondContact O-N 3.43Å; L555-L587 HydrophobicContact CD2-CD2 4.39Å
556	A	93.9	Very high	94.9	Very high	21 Å²	21	13.7 Å²	13.7	17%	0.174	9%	0.09	C	C	.	.	H	α-helix	trans	-59.8	-39.7	172.8	0	0	0	0	0	111.2	A552 P553 V559 R560 G614	A552-A556 WeakPolarHBondContact O-CB 3.27Å; A552-A556 PolarHBondContact O-N 2.82Å; P553-A556 PolarHBondContact O-N 3.22Å; A556-V559 PolarHBondContact O-N 3.08Å; A556-R560 PolarHBondContact O-N 3.35Å; A556-G614 PolarHBondContact O-N 3.09Å
557	E	95.9	Very high	94.7	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-68.9	-38.4	174.1	-162.5	60.8	-152.3	0	0	112.4	P553 M554 L555 V559 R560 V561 R676 L677 R680 F744	P553-E557 WeakPolarHBondContact O-CB 3.04Å; P553-E557 PolarHBondContact O-N 2.9Å; M554-E557 PolarHBondContact O-N 3.05Å; L555-E557 VanDerWaalsContact C-N 3.25Å; L555-E557 PolarHBondContact O-N 3.12Å; E557-V559 VanDerWaalsContact C-N 3.31Å; E557-V559 PolarHBondContact O-N 3.29Å; E557-R560 WeakPolarHBondContact O-CB 3.47Å; E557-R560 PolarHBondContact O-N 2.66Å; E557-R560 VanDerWaalsContact O-N 3.13Å; E557-V561 WeakPolarHBondContact O-CG2 3.41Å; E557-V561 PolarHBondContact O-N 3.06Å; E557-R676 HydrophobicContact CG-CB 4.04Å; E557-R676 IonicContact OE1-CZ 2.62Å; E557-R676 IonicContact OE1-NE 2.88Å; E557-R676 PolarHBondContact OE1-NE 3.09Å; E557-R676 IonicContact OE1-NH2 2.81Å; E557-R676 PolarHBondContact OE1-NH2 2.96Å; E557-L677 HydrophobicContact CB-CG 4.38Å; E557-L677 HydrophobicContact CG-CD1 4.08Å; E557-L677 HydrophobicContact CG-CG 4.39Å; E557-R680 IonicContact OE2-CZ 2.91Å; E557-R680 IonicContact OE2-NH1 2.99Å; E557-R680 PolarHBondContact OE2-NH1 3.16Å; E557-F744 WeakPolarHBondContact OE2-CZ 3.48Å
558	A	95.6	Very high	94.7	Very high	6 Å²	6	17.4 Å²	17.4	5%	0.05	11%	0.11	C	C	.	.	H	α-helix	trans	-59.5	-41.6	174.2	0	0	0	0	0	111.8	M554 L555 R560 V561 L562 L571 A584 L677	M554-A558 WeakPolarHBondContact O-CB 3.44Å; M554-A558 PolarHBondContact O-N 2.83Å; L555-A558 WeakPolarHBondContact O-CB 3.23Å; L555-A558 PolarHBondContact O-N 2.88Å; L555-A558 VanDerWaalsContact O-N 3.16Å; A558-R560 VanDerWaalsContact C-N 3.35Å; A558-V561 PolarHBondContact O-N 3.27Å; A558-L562 WeakPolarHBondContact O-CG 3.49Å; A558-L562 PolarHBondContact O-N 3.38Å; A558-L571 HydrophobicContact CB-CD2 4.1Å; A558-A584 HydrophobicContact CB-CB 4.04Å; A558-L677 HydrophobicContact CB-CD2 4.33Å
559	V	94.8	Very high	94.7	Very high	19 Å²	19	22.2 Å²	22.2	12%	0.115	13%	0.13	C	C	.	.	H	α-helix	trans	-61.4	-43.8	173.7	178	0	0	0	0	110.7	L555 A556 E557 V561 L562 Q563 V618 L619	L555-V559 WeakPolarHBondContact O-CG2 3.33Å; L555-V559 PolarHBondContact O-N 3.43Å; A556-V559 PolarHBondContact O-N 3.08Å; E557-V559 VanDerWaalsContact C-N 3.31Å; E557-V559 PolarHBondContact O-N 3.29Å; V559-V561 VanDerWaalsContact C-N 3.35Å; V559-V561 PolarHBondContact O-N 3.13Å; V559-L562 PolarHBondContact O-N 2.57Å; V559-Q563 WeakPolarHBondContact O-CG 3.43Å; V559-Q563 PolarHBondContact O-N 3.38Å; V559-V618 HydrophobicContact CG1-CB 4.22Å; V559-V618 HydrophobicContact CG1-CG1 4.48Å; V559-V618 HydrophobicContact CG1-CG2 4.47Å; V559-L619 HydrophobicContact CG2-CD1 4.35Å; V559-L619 HydrophobicContact CG2-CD2 3.97Å; V559-L619 HydrophobicContact CG2-CG 4.26Å
560	R	95.5	Very high	94.8	Very high	31 Å²	31	26 Å²	26	12%	0.117	15%	0.146	C	C	.	.	H	α-helix	trans	-58	-47.6	175.7	178.3	171	-73.5	-172.2	1.4	111.7	A556 E557 A558 L562 Q563 E564 G613 I661	A556-R560 PolarHBondContact O-N 3.35Å; E557-R560 WeakPolarHBondContact O-CB 3.47Å; E557-R560 PolarHBondContact O-N 2.66Å; E557-R560 VanDerWaalsContact O-N 3.13Å; A558-R560 VanDerWaalsContact C-N 3.35Å; R560-L562 VanDerWaalsContact C-N 3.28Å; R560-L562 PolarHBondContact O-N 2.84Å; R560-Q563 CarbonylContact O-C 3.51Å; R560-Q563 WeakPolarHBondContact O-CA 3.28Å; R560-Q563 WeakPolarHBondContact O-CB 3.09Å; R560-Q563 PolarHBondContact O-N 3.02Å; R560-E564 HydrophobicContact CG-CG 4.4Å; R560-E564 VanDerWaalsContact CG-OE1 3.31Å; R560-E564 WeakPolarHBondContact CG-OE1 3.47Å; R560-E564 WeakPolarHBondContact O-CG 3.28Å; R560-E564 PolarHBondContact O-N 3.35Å; R560-G613 VanDerWaalsContact CZ-O 3.31Å; R560-G613 PolarHBondContact NE-O 3.32Å; R560-G613 PolarHBondContact NH2-O 3.18Å; R560-I661 HydrophobicContact CG-CD1 4.01Å
561	V	96.3	Very high	94.8	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.9	-37.4	-179.3	170.8	0	0	0	0	111.4	E557 A558 V559 E564 V566 L571 V673 L677	E557-V561 WeakPolarHBondContact O-CG2 3.41Å; E557-V561 PolarHBondContact O-N 3.06Å; A558-V561 PolarHBondContact O-N 3.27Å; V559-V561 VanDerWaalsContact C-N 3.35Å; V559-V561 PolarHBondContact O-N 3.13Å; V561-E564 PolarHBondContact O-N 3.12Å; V561-V566 HydrophobicContact CG1-CB 3.69Å; V561-V566 HydrophobicContact CG1-CG1 4.03Å; V561-V566 HydrophobicContact CG1-CG2 3.71Å; V561-V566 WeakPolarHBondContact O-CB 3.47Å; V561-V566 PolarHBondContact O-N 3.27Å; V561-L571 HydrophobicContact CG1-CD1 3.97Å; V561-V673 HydrophobicContact CG1-CG1 3.8Å; V561-V673 HydrophobicContact CG2-CG1 3.99Å; V561-L677 HydrophobicContact CG2-CD1 4.13Å
562	L	95.1	Very high	94.9	Very high	17 Å²	17	25.4 Å²	25.4	9%	0.089	14%	0.143	C	C	.	.	H	α-helix	trans	-63.7	-42.1	172.1	-67.5	173.6	0	0	0	111.9	A558 V559 R560 E564 G565 V566 P568 L571 L656	A558-L562 WeakPolarHBondContact O-CG 3.49Å; A558-L562 PolarHBondContact O-N 3.38Å; V559-L562 PolarHBondContact O-N 2.57Å; R560-L562 VanDerWaalsContact C-N 3.28Å; R560-L562 PolarHBondContact O-N 2.84Å; L562-E564 VanDerWaalsContact C-N 3.28Å; L562-E564 PolarHBondContact O-N 3.11Å; L562-G565 PolarHBondContact O-N 3.17Å; L562-G565 VanDerWaalsContact O-N 3.13Å; L562-V566 WeakPolarHBondContact CD2-O 3.29Å; L562-P568 HydrophobicContact CD2-CB 4.45Å; L562-P568 HydrophobicContact CD2-CG 4.05Å; L562-L571 HydrophobicContact CD1-CD2 4.38Å; L562-L571 HydrophobicContact CD2-CB 4.45Å; L562-L571 HydrophobicContact CD2-CD2 3.78Å; L562-L571 HydrophobicContact CG-CD2 3.81Å; L562-L656 HydrophobicContact CB-CD1 4.46Å; L562-L656 HydrophobicContact CB-CD2 3.9Å
563	Q	95	Very high	95.1	Very high	7 Å²	7	26.2 Å²	26.2	3%	0.033	15%	0.153	C	C	.	.	H	α-helix	trans	-67.5	-27.3	176.1	-66.6	179.6	-78.7	0	0	113.2	V559 R560 G565 V618 F659 K660 I661	V559-Q563 WeakPolarHBondContact O-CG 3.43Å; V559-Q563 PolarHBondContact O-N 3.38Å; R560-Q563 CarbonylContact O-C 3.51Å; R560-Q563 WeakPolarHBondContact O-CA 3.28Å; R560-Q563 WeakPolarHBondContact O-CB 3.09Å; R560-Q563 PolarHBondContact O-N 3.02Å; Q563-G565 PolarHBondContact O-N 3.32Å; Q563-V618 HydrophobicContact CG-CG2 4.04Å; Q563-F659 PolarHBondContact NE2-O 3.16Å; Q563-K660 CarbonylContact O-C 3.6Å; Q563-K660 WeakPolarHBondContact O-CA 3.32Å; Q563-I661 HydrophobicContact CB-CD1 4.22Å; Q563-I661 HydrophobicContact CB-CG1 3.9Å; Q563-I661 PolarHBondContact O-N 2.83Å
564	E	95.3	Very high	95.2	Very high	14 Å²	14	26.8 Å²	26.8	7%	0.065	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	0.5	173.1	-75.3	173.2	-168.4	0	0	113.1	R560 V561 L562 I661 P663 R676 Y740	R560-E564 HydrophobicContact CG-CG 4.4Å; R560-E564 VanDerWaalsContact CG-OE1 3.31Å; R560-E564 WeakPolarHBondContact CG-OE1 3.47Å; R560-E564 WeakPolarHBondContact O-CG 3.28Å; R560-E564 PolarHBondContact O-N 3.35Å; V561-E564 PolarHBondContact O-N 3.12Å; L562-E564 VanDerWaalsContact C-N 3.28Å; L562-E564 PolarHBondContact O-N 3.11Å; E564-I661 HydrophobicContact CG-CD1 3.81Å; E564-I661 HydrophobicContact CG-CG1 3.73Å; E564-P663 HydrophobicContact CB-CB 4.1Å; E564-P663 HydrophobicContact CG-CB 4.23Å; E564-R676 IonicContact OE1-CZ 3.7Å; E564-R676 IonicContact OE1-NH1 2.77Å; E564-R676 PolarHBondContact OE1-NH1 3.34Å; E564-R676 IonicContact OE1-NH2 3Å; E564-R676 PolarHBondContact OE1-NH2 2.89Å; E564-R676 IonicContact OE2-CZ 2.71Å; E564-R676 IonicContact OE2-NH1 3.82Å; E564-R676 PolarHBondContact OE2-NH1 2.92Å; E564-R676 IonicContact OE2-NH2 3.83Å; E564-R676 PolarHBondContact OE2-NH2 2.96Å; E564-Y740 PolarHBondContact OE1-OH 3.43Å
565	G	92.4	Very high	95.3	Very high	53 Å²	53	26.9 Å²	26.9	55%	0.546	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.6	8.5	175.7	0	0	0	0	0	114.3	L562 Q563	L562-G565 PolarHBondContact O-N 3.17Å; L562-G565 VanDerWaalsContact O-N 3.13Å; Q563-G565 PolarHBondContact O-N 3.32Å
566	V	94.4	Very high	95.4	Very high	23 Å²	23	26.7 Å²	26.7	14%	0.139	16%	0.157	C	C	.	.			trans	-76.1	124.7	171.6	-179.5	0	0	0	0	109	V561 L562 K570 L571	V561-V566 HydrophobicContact CG1-CB 3.69Å; V561-V566 HydrophobicContact CG1-CG1 4.03Å; V561-V566 HydrophobicContact CG1-CG2 3.71Å; V561-V566 WeakPolarHBondContact O-CB 3.47Å; V561-V566 PolarHBondContact O-N 3.27Å; L562-V566 WeakPolarHBondContact CD2-O 3.29Å; V566-K570 HydrophobicContact CG1-CB 3.93Å; V566-K570 HydrophobicContact CG1-CD 4.1Å; V566-K570 HydrophobicContact CG1-CG 3.94Å; V566-L571 HydrophobicContact CG1-CB 4.2Å
567	D	92.3	Very high	95.5	Very high	73 Å²	73	28.3 Å²	28.3	39%	0.39	17%	0.167	S	C	.	.			trans	-71.8	155	179.3	76.2	88.6	0	0	0	112.1	K569 K570 L571	D567-K569 VanDerWaalsContact C-N 3.29Å; D567-K569 PolarHBondContact O-N 2.9Å; D567-K569 WeakPolarHBondContact OD1-CA 3.49Å; D567-K569 VanDerWaalsContact OD1-CB 3.23Å; D567-K569 WeakPolarHBondContact OD1-CB 3.36Å; D567-K569 PolarHBondContact OD1-N 3.2Å; D567-K570 PolarHBondContact O-N 2.79Å; D567-K570 VanDerWaalsContact O-N 3.13Å; D567-K570 PolarHBondContact OD1-N 3.47Å; D567-K570 WeakPolarHBondContact OD2-CB 3.47Å; D567-L571 PolarHBondContact O-N 2.98Å
568	P	94.9	Very high	95.6	Very high	4 Å²	4	29.5 Å²	29.5	3%	0.026	17%	0.172	C	C	.	.	H	α-helix	trans	-55.8	-36.9	-179.5	-28.4	35.3	0	0	0	114.5	L562 L571 D572 A585 C636 Y637 V648	L562-P568 HydrophobicContact CD2-CB 4.45Å; L562-P568 HydrophobicContact CD2-CG 4.05Å; P568-L571 PolarHBondContact O-N 3.35Å; P568-D572 WeakPolarHBondContact O-CB 3.22Å; P568-D572 PolarHBondContact O-N 2.99Å; P568-A585 HydrophobicContact CB-CB 4Å; P568-C636 HydrophobicContact CB-CB 4.42Å; P568-C636 HydrophobicContact CG-CB 4.47Å; P568-Y637 HydrophobicContact CB-CE1 4.46Å; P568-Y637 HydrophobicContact CB-CE2 4.25Å; P568-Y637 PolarHBondContact O-OH 3.38Å; P568-V648 HydrophobicContact CG-CG1 4.39Å
569	K	95.2	Very high	95.6	Very high	121 Å²	121	29.7 Å²	29.7	53%	0.526	17%	0.174	S	C	.	.	H	α-helix	trans	-68.7	-40.2	179.2	-74.3	167.8	169.1	169.9	0	111.1	D567 G573 Y637 V648	D567-K569 VanDerWaalsContact C-N 3.29Å; D567-K569 PolarHBondContact O-N 2.9Å; D567-K569 WeakPolarHBondContact OD1-CA 3.49Å; D567-K569 VanDerWaalsContact OD1-CB 3.23Å; D567-K569 WeakPolarHBondContact OD1-CB 3.36Å; D567-K569 PolarHBondContact OD1-N 3.2Å; K569-G573 PolarHBondContact O-N 3.29Å; K569-Y637 HydrophobicContact CG-CE1 4.22Å; K569-Y637 PolarHBondContact N-OH 2.91Å; K569-V648 HydrophobicContact CD-CG2 3.7Å; K569-V648 HydrophobicContact CG-CG2 3.56Å
570	K	96.4	Very high	95.7	Very high	83 Å²	83	29.4 Å²	29.4	36%	0.361	17%	0.171	S	C	.	.	H	α-helix	trans	-64.5	-45.3	174.8	-177.2	172.3	177.6	-172.5	0	111.1	V566 D567 D572 G573 L574 D670	V566-K570 HydrophobicContact CG1-CB 3.93Å; V566-K570 HydrophobicContact CG1-CD 4.1Å; V566-K570 HydrophobicContact CG1-CG 3.94Å; D567-K570 PolarHBondContact O-N 2.79Å; D567-K570 VanDerWaalsContact O-N 3.13Å; D567-K570 PolarHBondContact OD1-N 3.47Å; D567-K570 WeakPolarHBondContact OD2-CB 3.47Å; K570-D572 PolarHBondContact O-N 3.38Å; K570-G573 CarbonylContact O-C 3.58Å; K570-G573 WeakPolarHBondContact O-CA 3.47Å; K570-G573 PolarHBondContact O-N 3.3Å; K570-G573 VanDerWaalsContact O-N 3.09Å; K570-L574 HydrophobicContact CG-CD1 4.28Å; K570-L574 HydrophobicContact CG-CG 4.43Å; K570-L574 WeakPolarHBondContact O-CG 3.17Å; K570-L574 PolarHBondContact O-N 3.33Å; K570-D670 WeakPolarHBondContact CE-OD1 3.44Å; K570-D670 WeakPolarHBondContact CE-OD2 3.09Å; K570-D670 IonicContact NZ-OD1 3.12Å; K570-D670 PolarHBondContact NZ-OD1 3.34Å; K570-D670 IonicContact NZ-OD2 2.87Å
571	L	96.8	Very high	95.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.7	-45.1	177	178.5	58.3	0	0	0	112.7	A558 V561 L562 V566 D567 P568 G573 L574 T575 A584 A585 L677	A558-L571 HydrophobicContact CB-CD2 4.1Å; V561-L571 HydrophobicContact CG1-CD1 3.97Å; L562-L571 HydrophobicContact CD1-CD2 4.38Å; L562-L571 HydrophobicContact CD2-CB 4.45Å; L562-L571 HydrophobicContact CD2-CD2 3.78Å; L562-L571 HydrophobicContact CG-CD2 3.81Å; V566-L571 HydrophobicContact CG1-CB 4.2Å; D567-L571 PolarHBondContact O-N 2.98Å; P568-L571 PolarHBondContact O-N 3.35Å; L571-G573 VanDerWaalsContact C-N 3.29Å; L571-G573 PolarHBondContact O-N 3.1Å; L571-L574 PolarHBondContact O-N 3.18Å; L571-T575 HydrophobicContact CD1-CG2 4.41Å; L571-T575 PolarHBondContact O-N 3.4Å; L571-T575 PolarHBondContact O-OG1 2.82Å; L571-A584 HydrophobicContact CD2-CB 4.41Å; L571-A584 HydrophobicContact CG-CB 4.28Å; L571-A585 HydrophobicContact CD2-CB 4.41Å; L571-L677 HydrophobicContact CD1-CD2 4.33Å
572	D	96.6	Very high	95.4	Very high	12 Å²	12	35.3 Å²	35.3	6%	0.064	21%	0.212	C	C	.	.	H	α-helix	trans	-60.1	-40.7	172.2	-93.8	18.6	0	0	0	111.5	P568 K570 T575 T576 G583 A584 A585 T586 Y637 K646	P568-D572 WeakPolarHBondContact O-CB 3.22Å; P568-D572 PolarHBondContact O-N 2.99Å; K570-D572 PolarHBondContact O-N 3.38Å; D572-T575 PolarHBondContact O-OG1 3.14Å; D572-T576 VanDerWaalsContact O-CB 3.32Å; D572-T576 WeakPolarHBondContact O-CB 3.49Å; D572-T576 VanDerWaalsContact O-CG2 3.24Å; D572-T576 WeakPolarHBondContact O-CG2 3.49Å; D572-T576 PolarHBondContact O-N 3.47Å; D572-T576 PolarHBondContact O-OG1 3.08Å; D572-G583 VanDerWaalsContact OD1-CA 3.27Å; D572-G583 WeakPolarHBondContact OD1-CA 3.44Å; D572-A584 PolarHBondContact OD1-N 3.39Å; D572-A585 WeakPolarHBondContact OD1-CB 3.41Å; D572-A585 PolarHBondContact OD1-N 3.5Å; D572-T586 PolarHBondContact OD1-N 2.94Å; D572-T586 VanDerWaalsContact OD1-N 3.13Å; D572-T586 WeakPolarHBondContact OD2-CB 3.46Å; D572-T586 PolarHBondContact OD2-OG1 3Å; D572-Y637 VanDerWaalsContact CG-OH 3.26Å; D572-Y637 PolarHBondContact OD2-OH 3.1Å; D572-Y637 VanDerWaalsContact OD2-OH 3.11Å; D572-K646 IonicContact OD2-NZ 2.64Å; D572-K646 PolarHBondContact OD2-NZ 2.85Å
573	G	96.7	Very high	95.4	Very high	32 Å²	32	34.6 Å²	34.6	33%	0.33	21%	0.209	S	C	.	.	H	α-helix	trans	-60.2	-47.8	176.4	0	0	0	0	0	112.4	K569 K570 L571 T576 S577	K569-G573 PolarHBondContact O-N 3.29Å; K570-G573 CarbonylContact O-C 3.58Å; K570-G573 WeakPolarHBondContact O-CA 3.47Å; K570-G573 PolarHBondContact O-N 3.3Å; K570-G573 VanDerWaalsContact O-N 3.09Å; L571-G573 VanDerWaalsContact C-N 3.29Å; L571-G573 PolarHBondContact O-N 3.1Å; G573-T576 PolarHBondContact O-OG1 3.48Å; G573-S577 VanDerWaalsContact O-CB 3.24Å; G573-S577 WeakPolarHBondContact O-CB 3.23Å; G573-S577 PolarHBondContact O-N 3.25Å; G573-S577 PolarHBondContact O-OG 3.04Å
574	L	97.5	Very high	95.4	Very high	14 Å²	14	34.3 Å²	34.3	7%	0.073	21%	0.208	C	C	.	.	H	α-helix	trans	-63.4	-44.5	179.1	-70.1	173.8	0	0	0	112.4	K570 L571 S577 F578 D670 V673 Q674	K570-L574 HydrophobicContact CG-CD1 4.28Å; K570-L574 HydrophobicContact CG-CG 4.43Å; K570-L574 WeakPolarHBondContact O-CG 3.17Å; K570-L574 PolarHBondContact O-N 3.33Å; L571-L574 PolarHBondContact O-N 3.18Å; L574-S577 PolarHBondContact O-OG 3.33Å; L574-S577 VanDerWaalsContact O-OG 3.09Å; L574-F578 WeakPolarHBondContact O-CB 3.16Å; L574-F578 PolarHBondContact O-N 3.01Å; L574-F578 VanDerWaalsContact O-N 3.16Å; L574-D670 HydrophobicContact CD2-CB 3.6Å; L574-V673 HydrophobicContact CD1-CB 4.21Å; L574-V673 HydrophobicContact CD1-CG1 3.8Å; L574-Q674 HydrophobicContact CB-CG 4.13Å; L574-Q674 PolarHBondContact O-NE2 2.99Å
575	T	97.2	Very high	95.4	Very high	6 Å²	6	33.8 Å²	33.8	4%	0.037	21%	0.206	C	C	.	.	H	α-helix	trans	-72.9	-40.8	-179.3	45.7	0	0	0	0	111.8	L571 D572 F578 G579 F580 G583 A584 L677	L571-T575 HydrophobicContact CD1-CG2 4.41Å; L571-T575 PolarHBondContact O-N 3.4Å; L571-T575 PolarHBondContact O-OG1 2.82Å; D572-T575 PolarHBondContact O-OG1 3.14Å; T575-F578 WeakPolarHBondContact O-CB 3.39Å; T575-F578 PolarHBondContact O-N 2.81Å; T575-G579 PolarHBondContact O-N 2.83Å; T575-F580 WeakPolarHBondContact O-CB 3.36Å; T575-F580 WeakPolarHBondContact O-CD2 3.45Å; T575-F580 PolarHBondContact O-N 2.81Å; T575-F580 VanDerWaalsContact O-N 3.13Å; T575-G583 VanDerWaalsContact OG1-CA 3.28Å; T575-G583 WeakPolarHBondContact OG1-CA 3.09Å; T575-A584 HydrophobicContact CG2-CB 3.91Å; T575-A584 PolarHBondContact OG1-N 2.85Å; T575-A584 VanDerWaalsContact OG1-N 3.11Å; T575-L677 HydrophobicContact CG2-CD2 3.71Å
576	T	96.7	Very high	95.4	Very high	25 Å²	25	31.6 Å²	31.6	15%	0.153	18%	0.182	C	C	.	.	H	α-helix	trans	-70.9	-33.9	177.1	59	0	0	0	0	113.1	D572 G573 F578 G579 F580	D572-T576 VanDerWaalsContact O-CB 3.32Å; D572-T576 WeakPolarHBondContact O-CB 3.49Å; D572-T576 VanDerWaalsContact O-CG2 3.24Å; D572-T576 WeakPolarHBondContact O-CG2 3.49Å; D572-T576 PolarHBondContact O-N 3.47Å; D572-T576 PolarHBondContact O-OG1 3.08Å; G573-T576 PolarHBondContact O-OG1 3.48Å; T576-F578 VanDerWaalsContact C-N 3.29Å; T576-G579 PolarHBondContact O-N 3.32Å; T576-G579 VanDerWaalsContact O-N 3.17Å; T576-F580 WeakPolarHBondContact CA-O 3.44Å
577	S	96.1	Very high	95.3	Very high	55 Å²	55	32.1 Å²	32.1	39%	0.385	18%	0.184	S	C	.	.	H	α-helix	trans	-71.7	-23.5	174.1	67.1	0	0	0	0	113.1	G573 L574 G579 Q674	G573-S577 VanDerWaalsContact O-CB 3.24Å; G573-S577 WeakPolarHBondContact O-CB 3.23Å; G573-S577 PolarHBondContact O-N 3.25Å; G573-S577 PolarHBondContact O-OG 3.04Å; L574-S577 PolarHBondContact O-OG 3.33Å; L574-S577 VanDerWaalsContact O-OG 3.09Å; S577-G579 VanDerWaalsContact C-N 3.29Å; S577-Q674 PolarHBondContact OG-NE2 3.29Å
578	F	96.6	Very high	95.2	Very high	25 Å²	25	29.3 Å²	29.3	11%	0.11	17%	0.171	C	C	.	.	H	α-helix	trans	-72.3	-24.7	169.2	-167.9	-93.4	0	0	0	112.4	L574 T575 T576 F580 Q674 Y675 V678 P711 L714	L574-F578 WeakPolarHBondContact O-CB 3.16Å; L574-F578 PolarHBondContact O-N 3.01Å; L574-F578 VanDerWaalsContact O-N 3.16Å; T575-F578 WeakPolarHBondContact O-CB 3.39Å; T575-F578 PolarHBondContact O-N 2.81Å; T576-F578 VanDerWaalsContact C-N 3.29Å; F578-F580 HydrophobicContact CD1-CD2 4.13Å; F578-F580 AromaticContact CD1-CE2 3.84Å; F578-F580 HydrophobicContact CD1-CE2 3.84Å; F578-F580 HydrophobicContact CE1-CE2 4.42Å; F578-Q674 HydrophobicContact CB-CG 4.41Å; F578-Q674 HydrophobicContact CD2-CB 3.98Å; F578-Q674 HydrophobicContact CD2-CG 4.3Å; F578-Y675 HydrophobicContact CE2-CE1 4.41Å; F578-V678 HydrophobicContact CD1-CG2 3.84Å; F578-V678 HydrophobicContact CE1-CB 4.39Å; F578-V678 HydrophobicContact CE1-CG1 4.17Å; F578-V678 HydrophobicContact CE1-CG2 3.41Å; F578-V678 VanDerWaalsContact CE1-CG2 3.41Å; F578-V678 HydrophobicContact CE2-CG2 4.37Å; F578-V678 HydrophobicContact CG-CG2 4.49Å; F578-V678 HydrophobicContact CZ-CB 4.37Å; F578-V678 HydrophobicContact CZ-CG1 4.13Å; F578-V678 HydrophobicContact CZ-CG2 3.72Å; F578-P711 HydrophobicContact CD1-CG 3.93Å; F578-P711 HydrophobicContact CE1-CG 4.2Å; F578-L714 HydrophobicContact CD1-CD1 4.38Å; F578-L714 HydrophobicContact CE1-CD1 3.51Å; F578-L714 HydrophobicContact CZ-CD1 3.91Å
579	G	96.2	Very high	95.1	Very high	9 Å²	9	29.2 Å²	29.2	9%	0.093	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	124.1	3.7	173.6	0	0	0	0	0	115.6	T575 T576 S577	T575-G579 PolarHBondContact O-N 2.83Å; T576-G579 PolarHBondContact O-N 3.32Å; T576-G579 VanDerWaalsContact O-N 3.17Å; S577-G579 VanDerWaalsContact C-N 3.29Å
580	F	96.5	Very high	94.6	Very high	14 Å²	14	27.4 Å²	27.4	6%	0.061	16%	0.164	C	C	.	.			trans	-66.7	134.6	173.3	-74.1	-88.8	0	0	0	110.4	M554 T575 T576 F578 V582 V678 G709 F710 P711	M554-F580 HydrophobicContact SD-CE1 4Å; M554-F580 HydrophobicContact SD-CZ 3.95Å; T575-F580 WeakPolarHBondContact O-CB 3.36Å; T575-F580 WeakPolarHBondContact O-CD2 3.45Å; T575-F580 PolarHBondContact O-N 2.81Å; T575-F580 VanDerWaalsContact O-N 3.13Å; T576-F580 WeakPolarHBondContact CA-O 3.44Å; F578-F580 HydrophobicContact CD1-CD2 4.13Å; F578-F580 AromaticContact CD1-CE2 3.84Å; F578-F580 HydrophobicContact CD1-CE2 3.84Å; F578-F580 HydrophobicContact CE1-CE2 4.42Å; F580-V582 PolarHBondContact O-N 3.43Å; F580-V678 HydrophobicContact CE2-CG2 3.91Å; F580-V678 HydrophobicContact CZ-CG2 4.29Å; F580-G709 VanDerWaalsContact CD1-O 3.24Å; F580-G709 WeakPolarHBondContact CD1-O 3.5Å; F580-F710 HydrophobicContact CZ-CD2 4.49Å; F580-P711 HydrophobicContact CD2-CG 4Å; F580-P711 HydrophobicContact CE2-CG 4.06Å; F580-P711 HydrophobicContact CG-CG 4.24Å; F580-P711 HydrophobicContact CZ-CG 4.35Å
581	P	93.5	Very high	94	Very high	93 Å²	93	26.8 Å²	26.8	60%	0.604	17%	0.166	S	C	*	.	S	Bend	trans	-63.5	-29	179.9	-23.8	33.6	0	0	0	113.9	G709	P581-G709 WeakPolarHBondContact CD-O 3.43Å
582	V	92.4	Very high	93.5	Very high	61 Å²	61	26.8 Å²	26.8	37%	0.37	17%	0.167	S	C	.	.	S	Bend	trans	-128.8	135.9	-179.3	-174.1	0	0	0	0	107.8	F580 T586 L587	F580-V582 PolarHBondContact O-N 3.43Å; V582-T586 HydrophobicContact CG1-CG2 3.68Å; V582-L587 HydrophobicContact CG1-CB 4.15Å
583	G	94.8	Very high	93.3	Very high	2 Å²	2	26.3 Å²	26.3	2%	0.021	16%	0.164	C	C	.	.			trans	-69.1	150	176.5	0	0	0	0	0	112	D572 T575 A585 T586 L587	D572-G583 VanDerWaalsContact OD1-CA 3.27Å; D572-G583 WeakPolarHBondContact OD1-CA 3.44Å; T575-G583 VanDerWaalsContact OG1-CA 3.28Å; T575-G583 WeakPolarHBondContact OG1-CA 3.09Å; G583-A585 PolarHBondContact O-N 3.16Å; G583-T586 CarbonylContact O-C 3.44Å; G583-T586 PolarHBondContact O-N 3.36Å; G583-T586 VanDerWaalsContact O-N 3.14Å; G583-L587 WeakPolarHBondContact O-CB 3.25Å; G583-L587 PolarHBondContact O-N 3.46Å
584	A	94.9	Very high	92.8	Very high	2 Å²	2	26.6 Å²	26.6	2%	0.017	16%	0.158	C	C	.	.	H	α-helix	trans	-60.6	-39.1	-170.8	0	0	0	0	0	114.4	A558 L571 D572 T575 T586 L587 A588 L677	A558-A584 HydrophobicContact CB-CB 4.04Å; L571-A584 HydrophobicContact CD2-CB 4.41Å; L571-A584 HydrophobicContact CG-CB 4.28Å; D572-A584 PolarHBondContact OD1-N 3.39Å; T575-A584 HydrophobicContact CG2-CB 3.91Å; T575-A584 PolarHBondContact OG1-N 2.85Å; T575-A584 VanDerWaalsContact OG1-N 3.11Å; A584-T586 VanDerWaalsContact C-N 3.33Å; A584-L587 PolarHBondContact O-N 3.2Å; A584-A588 PolarHBondContact O-N 2.93Å; A584-A588 VanDerWaalsContact O-N 3.16Å; A584-L677 HydrophobicContact CB-CD2 4.12Å
585	A	94.6	Very high	92.2	Very high	3 Å²	3	28.7 Å²	28.7	3%	0.025	17%	0.171	C	C	.	.	H	α-helix	trans	-68.4	-38.4	177.8	0	0	0	0	0	110.9	P568 L571 D572 G583 A588 D589 C636 Y637	P568-A585 HydrophobicContact CB-CB 4Å; L571-A585 HydrophobicContact CD2-CB 4.41Å; D572-A585 WeakPolarHBondContact OD1-CB 3.41Å; D572-A585 PolarHBondContact OD1-N 3.5Å; G583-A585 PolarHBondContact O-N 3.16Å; A585-A588 PolarHBondContact O-N 2.99Å; A585-D589 PolarHBondContact O-N 2.99Å; A585-C636 HydrophobicContact CB-CB 4.37Å; A585-Y637 HydrophobicContact CB-CE2 4.14Å
586	T	93.9	Very high	91.7	Very high	7 Å²	7	29 Å²	29	4%	0.043	18%	0.175	C	C	.	.	H	α-helix	trans	-70.4	-34.8	175.1	-65.9	0	0	0	0	113.2	D572 V582 G583 A584 A588 D589 E590 Y637 K646	D572-T586 PolarHBondContact OD1-N 2.94Å; D572-T586 VanDerWaalsContact OD1-N 3.13Å; D572-T586 WeakPolarHBondContact OD2-CB 3.46Å; D572-T586 PolarHBondContact OD2-OG1 3Å; V582-T586 HydrophobicContact CG1-CG2 3.68Å; G583-T586 CarbonylContact O-C 3.44Å; G583-T586 PolarHBondContact O-N 3.36Å; G583-T586 VanDerWaalsContact O-N 3.14Å; A584-T586 VanDerWaalsContact C-N 3.33Å; T586-A588 VanDerWaalsContact C-N 3.29Å; T586-A588 PolarHBondContact O-N 3.39Å; T586-D589 PolarHBondContact O-N 3.01Å; T586-E590 HydrophobicContact CG2-CG 4.14Å; T586-E590 VanDerWaalsContact O-CG 3.3Å; T586-E590 WeakPolarHBondContact O-CG 3.33Å; T586-E590 PolarHBondContact O-N 2.83Å; T586-Y637 WeakPolarHBondContact OG1-CE2 3.28Å; T586-K646 HydrophobicContact CG2-CD 4.46Å; T586-K646 WeakPolarHBondContact OG1-CE 3.29Å; T586-K646 PolarHBondContact OG1-NZ 2.72Å
587	L	91.8	Very high	91.3	Very high	34 Å²	34	28.3 Å²	28.3	18%	0.178	17%	0.172	C	C	.	.	H	α-helix	trans	-60.5	-43.9	175.7	-178.7	61.7	0	0	0	110	L551 M554 L555 V582 G583 A584 D589 E590 V591	L551-L587 HydrophobicContact CD1-CD2 4.01Å; M554-L587 HydrophobicContact CE-CD2 4.05Å; L555-L587 HydrophobicContact CD2-CD2 4.39Å; V582-L587 HydrophobicContact CG1-CB 4.15Å; G583-L587 WeakPolarHBondContact O-CB 3.25Å; G583-L587 PolarHBondContact O-N 3.46Å; A584-L587 PolarHBondContact O-N 3.2Å; L587-D589 VanDerWaalsContact C-N 3.34Å; L587-D589 PolarHBondContact O-N 3.09Å; L587-E590 PolarHBondContact O-N 3.2Å; L587-V591 HydrophobicContact CD1-CG2 4.27Å; L587-V591 WeakPolarHBondContact O-CB 3.43Å; L587-V591 VanDerWaalsContact O-CG2 3.31Å; L587-V591 WeakPolarHBondContact O-CG2 3.33Å; L587-V591 PolarHBondContact O-N 3.08Å
588	A	91	Very high	90.8	Very high	14 Å²	14	29.1 Å²	29.1	12%	0.116	17%	0.169	C	C	.	.	H	α-helix	trans	-59.2	-42.9	174.1	0	0	0	0	0	112.3	A584 A585 T586 G592 I593	A584-A588 PolarHBondContact O-N 2.93Å; A584-A588 VanDerWaalsContact O-N 3.16Å; A585-A588 PolarHBondContact O-N 2.99Å; T586-A588 VanDerWaalsContact C-N 3.29Å; T586-A588 PolarHBondContact O-N 3.39Å; A588-G592 CarbonylContact O-C 3.56Å; A588-G592 PolarHBondContact O-N 3.44Å; A588-I593 HydrophobicContact CB-CD1 3.79Å
589	D	91.1	Very high	90.3	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-67.9	-34.1	176.7	-81.9	-4.2	0	0	0	113.7	A585 T586 L587 G629 R630 G635 C636 Y637 Y639	A585-D589 PolarHBondContact O-N 2.99Å; T586-D589 PolarHBondContact O-N 3.01Å; L587-D589 VanDerWaalsContact C-N 3.34Å; L587-D589 PolarHBondContact O-N 3.09Å; D589-G629 WeakPolarHBondContact O-CA 3.47Å; D589-R630 PolarHBondContact O-N 3.26Å; D589-G635 VanDerWaalsContact OD1-CA 3.31Å; D589-G635 WeakPolarHBondContact OD1-CA 3.12Å; D589-C636 VanDerWaalsContact CG-N 3.33Å; D589-C636 PolarHBondContact OD1-N 3.47Å; D589-C636 WeakPolarHBondContact OD2-CB 3.34Å; D589-C636 PolarHBondContact OD2-N 3.29Å; D589-Y637 PolarHBondContact OD2-N 2.74Å; D589-Y639 HydrophobicContact CB-CE2 3.86Å; D589-Y639 WeakPolarHBondContact CB-OH 3.34Å; D589-Y639 WeakPolarHBondContact OD2-CE2 3.29Å; D589-Y639 PolarHBondContact OD2-OH 3.04Å; D589-Y639 VanDerWaalsContact OD2-OH 3.12Å
590	E	85.7	Confident	89.9	Confident	84 Å²	84	29.8 Å²	29.8	39%	0.393	18%	0.177	S	C	.	.	H	α-helix	trans	-73.8	-39.7	178	-69.9	-78.6	176.8	0	0	111.9	T586 L587 R630	T586-E590 HydrophobicContact CG2-CG 4.14Å; T586-E590 VanDerWaalsContact O-CG 3.3Å; T586-E590 WeakPolarHBondContact O-CG 3.33Å; T586-E590 PolarHBondContact O-N 2.83Å; L587-E590 PolarHBondContact O-N 3.2Å; E590-R630 VanDerWaalsContact CD-CD 3.49Å; E590-R630 WeakPolarHBondContact OE1-CD 3.34Å; E590-R630 IonicContact OE1-CZ 3.4Å; E590-R630 IonicContact OE1-NE 3.37Å; E590-R630 IonicContact OE1-NH1 3.31Å; E590-R630 PolarHBondContact OE1-NH1 2.76Å; E590-R630 WeakPolarHBondContact OE2-CD 3.32Å; E590-R630 IonicContact OE2-CZ 3.33Å; E590-R630 IonicContact OE2-NE 2.74Å; E590-R630 IonicContact OE2-NH1 3.85Å; E590-R630 PolarHBondContact OE2-NH1 3.43Å
591	V	83.4	Confident	89.4	Confident	69 Å²	69	32.5 Å²	32.5	42%	0.418	19%	0.189	S	C	.	.	H	α-helix	trans	-67.5	-41.3	173.6	172	0	0	0	0	110.5	L587 V595	L587-V591 HydrophobicContact CD1-CG2 4.27Å; L587-V591 WeakPolarHBondContact O-CB 3.43Å; L587-V591 VanDerWaalsContact O-CG2 3.31Å; L587-V591 WeakPolarHBondContact O-CG2 3.33Å; L587-V591 PolarHBondContact O-N 3.08Å; V591-V595 HydrophobicContact CG1-CB 4.38Å; V591-V595 HydrophobicContact CG1-CG1 4.26Å
592	G	87.4	Confident	89	Confident	1 Å²	1	29.8 Å²	29.8	1%	0.01	17%	0.17	C	C	.	.			trans	109.1	126.3	-175.5	0	0	0	0	0	111.2	A588 D594 V595 A596 K628	A588-G592 CarbonylContact O-C 3.56Å; A588-G592 PolarHBondContact O-N 3.44Å; G592-D594 VanDerWaalsContact C-N 3.29Å; G592-D594 PolarHBondContact O-N 3.41Å; G592-V595 PolarHBondContact O-N 2.89Å; G592-A596 PolarHBondContact O-N 2.78Å; G592-K628 WeakPolarHBondContact CA-O 3.34Å
593	I	90.6	Very high	88.8	Confident	1 Å²	1	27 Å²	27	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-66.7	-31.7	-174.4	-57.1	-61.3	0	0	0	112.3	A588 A596 A597 L619 M622 V623 F627	A588-I593 HydrophobicContact CB-CD1 3.79Å; I593-A596 PolarHBondContact O-N 3.4Å; I593-A597 WeakPolarHBondContact O-CB 3.49Å; I593-A597 PolarHBondContact O-N 3.39Å; I593-L619 HydrophobicContact CG2-CB 4.26Å; I593-L619 HydrophobicContact CG2-CD2 3.96Å; I593-M622 HydrophobicContact CD1-CE 4.09Å; I593-M622 HydrophobicContact CG1-CE 3.93Å; I593-M622 HydrophobicContact CG2-CB 3.9Å; I593-M622 HydrophobicContact CG2-CE 4.15Å; I593-M622 HydrophobicContact CG2-SD 4.14Å; I593-V623 HydrophobicContact CG2-CG2 4.08Å; I593-F627 WeakPolarHBondContact CB-O 3.5Å
594	D	87.1	Confident	88.5	Confident	39 Å²	39	28.1 Å²	28.1	21%	0.209	17%	0.165	C	C	.	.	H	α-helix	trans	-68.5	-39.5	173.8	55.3	-19	0	0	0	112.9	G592 A597 H598 V623 K631	G592-D594 VanDerWaalsContact C-N 3.29Å; G592-D594 PolarHBondContact O-N 3.41Å; D594-A597 PolarHBondContact O-N 2.9Å; D594-H598 WeakPolarHBondContact O-CB 3.45Å; D594-H598 PolarHBondContact O-N 3.32Å; D594-V623 VanDerWaalsContact CA-CG2 3.48Å; D594-V623 HydrophobicContact CB-CG1 4.12Å; D594-V623 HydrophobicContact CB-CG2 3.76Å; D594-K631 WeakPolarHBondContact OD1-CE 3.38Å; D594-K631 IonicContact OD1-NZ 2.64Å; D594-K631 PolarHBondContact OD1-NZ 2.92Å; D594-K631 WeakPolarHBondContact OD2-CE 3.47Å; D594-K631 IonicContact OD2-NZ 3.78Å; D594-K631 PolarHBondContact OD2-NZ 3.26Å
595	V	83.9	Confident	88.2	Confident	57 Å²	57	35.5 Å²	35.5	35%	0.345	20%	0.196	S	C	.	.	H	α-helix	trans	-66.1	-44.6	173.4	-179.1	0	0	0	0	109.7	V591 G592 A597 H598 V599	V591-V595 HydrophobicContact CG1-CB 4.38Å; V591-V595 HydrophobicContact CG1-CG1 4.26Å; G592-V595 PolarHBondContact O-N 2.89Å; V595-A597 VanDerWaalsContact C-N 3.32Å; V595-A597 PolarHBondContact O-N 2.86Å; V595-H598 PolarHBondContact O-N 2.96Å; V595-V599 HydrophobicContact CG1-CG2 4.27Å; V595-V599 WeakPolarHBondContact O-CB 3.34Å; V595-V599 WeakPolarHBondContact O-CG2 3.28Å; V595-V599 PolarHBondContact O-N 2.73Å
596	A	86.9	Confident	87.9	Confident	14 Å²	14	37.9 Å²	37.9	12%	0.116	22%	0.216	C	C	.	.	H	α-helix	trans	-59.7	-42	176.2	0	0	0	0	0	112.1	G592 I593 A600 L619	G592-A596 PolarHBondContact O-N 2.78Å; I593-A596 PolarHBondContact O-N 3.4Å; A596-A600 WeakPolarHBondContact O-CB 3.36Å; A596-A600 PolarHBondContact O-N 3.48Å; A596-L619 HydrophobicContact CB-CD1 4.45Å
597	A	89.3	Confident	87.8	Confident	10 Å²	10	39.6 Å²	39.6	8%	0.083	22%	0.223	C	C	.	.	H	α-helix	trans	-61.6	-47.4	175.7	0	0	0	0	0	111.7	I593 D594 V595 A600 E601 L619	I593-A597 WeakPolarHBondContact O-CB 3.49Å; I593-A597 PolarHBondContact O-N 3.39Å; D594-A597 PolarHBondContact O-N 2.9Å; V595-A597 VanDerWaalsContact C-N 3.32Å; V595-A597 PolarHBondContact O-N 2.86Å; A597-A600 PolarHBondContact O-N 3.27Å; A597-E601 WeakPolarHBondContact O-CG 3.45Å; A597-E601 PolarHBondContact O-N 3.08Å; A597-L619 HydrophobicContact CB-CB 3.93Å
598	H	85.3	Confident	87.8	Confident	72 Å²	72	39.8 Å²	39.8	33%	0.333	23%	0.233	S	C	.	.	H	α-helix	trans	-63	-47.9	-179.7	-171.6	54.1	0	0	0	112.3	E450 D594 V595 A600 E601 D602	E450-H598 PolarHBondContact O-NE2 2.78Å; D594-H598 WeakPolarHBondContact O-CB 3.45Å; D594-H598 PolarHBondContact O-N 3.32Å; V595-H598 PolarHBondContact O-N 2.96Å; H598-A600 VanDerWaalsContact C-N 3.33Å; H598-A600 PolarHBondContact O-N 2.92Å; H598-E601 PolarHBondContact O-N 2.83Å; H598-D602 IonicContact CD2-OD2 3.48Å; H598-D602 IonicContact CE1-OD2 2.66Å; H598-D602 PolarHBondContact CE1-OD2 3.05Å; H598-D602 IonicContact ND1-OD2 3.67Å; H598-D602 IonicContact NE2-OD2 3.86Å; H598-D602 PolarHBondContact NE2-OD2 2.76Å; H598-D602 PolarHBondContact O-N 2.91Å
599	V	85.8	Confident	87.6	Confident	16 Å²	16	42.5 Å²	42.5	10%	0.097	25%	0.252	C	S	.	.	H	α-helix	trans	-63.6	-38.7	177	173.1	0	0	0	0	111.5	A478 T548 V595 E601 D602 L603	A478-V599 HydrophobicContact CB-CG2 4.32Å; T548-V599 HydrophobicContact CG2-CG1 3.58Å; V595-V599 HydrophobicContact CG1-CG2 4.27Å; V595-V599 WeakPolarHBondContact O-CB 3.34Å; V595-V599 WeakPolarHBondContact O-CG2 3.28Å; V595-V599 PolarHBondContact O-N 2.73Å; V599-E601 VanDerWaalsContact C-N 3.32Å; V599-E601 PolarHBondContact O-N 3.41Å; V599-D602 PolarHBondContact O-N 3.06Å; V599-L603 HydrophobicContact CG1-CD1 3.67Å; V599-L603 HydrophobicContact CG1-CG 4.04Å; V599-L603 WeakPolarHBondContact O-CB 3.32Å; V599-L603 WeakPolarHBondContact O-CG 3.34Å; V599-L603 PolarHBondContact O-N 3.38Å
600	A	87.5	Confident	87.6	Confident	32 Å²	32	45.2 Å²	45.2	26%	0.264	26%	0.262	S	S	.	.	H	α-helix	trans	-63.2	-38	176.7	0	0	0	0	0	112	A596 A597 H598 G604 V616	A596-A600 WeakPolarHBondContact O-CB 3.36Å; A596-A600 PolarHBondContact O-N 3.48Å; A597-A600 PolarHBondContact O-N 3.27Å; H598-A600 VanDerWaalsContact C-N 3.33Å; H598-A600 PolarHBondContact O-N 2.92Å; A600-G604 WeakPolarHBondContact O-CA 3.47Å; A600-G604 PolarHBondContact O-N 2.82Å; A600-V616 HydrophobicContact CB-CG1 4.4Å; A600-V616 HydrophobicContact CB-CG2 4.48Å
601	E	86.1	Confident	88	Confident	70 Å²	70	42 Å²	42	33%	0.327	25%	0.247	S	C	.	.	H	α-helix	trans	-67.9	-47.4	174.3	-71.8	-171.5	154.4	0	0	112.2	A597 H598 V599 G604 K605 V616 K620	A597-E601 WeakPolarHBondContact O-CG 3.45Å; A597-E601 PolarHBondContact O-N 3.08Å; H598-E601 PolarHBondContact O-N 2.83Å; V599-E601 VanDerWaalsContact C-N 3.32Å; V599-E601 PolarHBondContact O-N 3.41Å; E601-G604 PolarHBondContact O-N 3.28Å; E601-K605 VanDerWaalsContact O-CG 3.32Å; E601-K605 WeakPolarHBondContact O-CG 3.48Å; E601-K605 PolarHBondContact O-N 3.26Å; E601-V616 HydrophobicContact CG-CG1 4.47Å; E601-K620 WeakPolarHBondContact OE1-CE 3.47Å; E601-K620 IonicContact OE1-NZ 2.75Å; E601-K620 PolarHBondContact OE1-NZ 3.15Å
602	D	85.3	Confident	88.1	Confident	36 Å²	36	39.9 Å²	39.9	19%	0.193	24%	0.238	C	C	.	.	H	α-helix	trans	-70.4	-43.7	-174.6	-71.9	-17.4	0	0	0	112.4	H598 V599 G604 K605 A606	H598-D602 IonicContact CD2-OD2 3.48Å; H598-D602 IonicContact CE1-OD2 2.66Å; H598-D602 PolarHBondContact CE1-OD2 3.05Å; H598-D602 IonicContact ND1-OD2 3.67Å; H598-D602 IonicContact NE2-OD2 3.86Å; H598-D602 PolarHBondContact NE2-OD2 2.76Å; H598-D602 PolarHBondContact O-N 2.91Å; V599-D602 PolarHBondContact O-N 3.06Å; D602-G604 VanDerWaalsContact C-N 3.29Å; D602-G604 PolarHBondContact O-N 3.28Å; D602-K605 PolarHBondContact O-N 3.45Å; D602-K605 IonicContact OD1-NZ 2.76Å; D602-K605 PolarHBondContact OD1-NZ 2.95Å; D602-A606 PolarHBondContact O-N 3.06Å; D602-A606 VanDerWaalsContact O-N 3.15Å
603	L	88.3	Confident	88.1	Confident	3 Å²	3	40.5 Å²	40.5	2%	0.016	24%	0.244	C	C	.	.	H	α-helix	trans	-71	-28.6	172.8	-60.7	-174.5	0	0	0	111.9	P543 T548 A552 V599 A606 F607 F611	P543-L603 HydrophobicContact CB-CD2 3.95Å; T548-L603 HydrophobicContact CG2-CD1 4.14Å; A552-L603 HydrophobicContact CB-CD1 3.64Å; V599-L603 HydrophobicContact CG1-CD1 3.67Å; V599-L603 HydrophobicContact CG1-CG 4.04Å; V599-L603 WeakPolarHBondContact O-CB 3.32Å; V599-L603 WeakPolarHBondContact O-CG 3.34Å; V599-L603 PolarHBondContact O-N 3.38Å; L603-A606 PolarHBondContact O-N 3.48Å; L603-F607 HydrophobicContact CB-CD2 4.29Å; L603-F607 HydrophobicContact CD2-CE2 4.13Å; L603-F607 WeakPolarHBondContact O-CB 3.41Å; L603-F607 PolarHBondContact O-N 3.41Å; L603-F611 HydrophobicContact CB-CD1 3.87Å; L603-F611 HydrophobicContact CB-CE1 4.17Å; L603-F611 HydrophobicContact CD1-CD1 4.42Å; L603-F611 HydrophobicContact CD1-CE1 4.05Å
604	G	88.3	Confident	88	Confident	26 Å²	26	41 Å²	41	27%	0.268	25%	0.25	S	C	.	.	H	α-helix	trans	-63.6	-40.6	171.6	0	0	0	0	0	112.5	A600 E601 D602 A606 G608	A600-G604 WeakPolarHBondContact O-CA 3.47Å; A600-G604 PolarHBondContact O-N 2.82Å; E601-G604 PolarHBondContact O-N 3.28Å; D602-G604 VanDerWaalsContact C-N 3.29Å; D602-G604 PolarHBondContact O-N 3.28Å; G604-A606 VanDerWaalsContact C-N 3.35Å; G604-G608 WeakPolarHBondContact O-CA 3.29Å; G604-G608 PolarHBondContact O-N 2.87Å
605	K	88.6	Confident	88.1	Confident	157 Å²	157	42.6 Å²	42.6	68%	0.683	26%	0.258	S	S	*	.	H	α-helix	trans	-64.1	-40.2	172.4	-68.4	164	-161.8	155.1	0	111.5	E601 D602	E601-K605 VanDerWaalsContact O-CG 3.32Å; E601-K605 WeakPolarHBondContact O-CG 3.48Å; E601-K605 PolarHBondContact O-N 3.26Å; D602-K605 PolarHBondContact O-N 3.45Å; D602-K605 IonicContact OD1-NZ 2.76Å; D602-K605 PolarHBondContact OD1-NZ 2.95Å
606	A	89.4	Confident	88.4	Confident	53 Å²	53	42.1 Å²	42.1	44%	0.438	26%	0.256	S	S	.	.	H	α-helix	trans	-73.4	-39.1	-177.4	0	0	0	0	0	113.7	P543 D602 L603 G604	P543-A606 HydrophobicContact CB-CB 3.88Å; P543-A606 HydrophobicContact CG-CB 4.05Å; D602-A606 PolarHBondContact O-N 3.06Å; D602-A606 VanDerWaalsContact O-N 3.15Å; L603-A606 PolarHBondContact O-N 3.48Å; G604-A606 VanDerWaalsContact C-N 3.35Å
607	F	91.4	Very high	88.5	Confident	42 Å²	42	45.3 Å²	45.3	18%	0.184	27%	0.268	C	S	.	.	H	α-helix	trans	-118.6	-8	-169.9	-59.2	-55.8	0	0	0	114.9	P543 R549 L603 F611	P543-F607 HydrophobicContact CB-CE2 4.04Å; P543-F607 HydrophobicContact CB-CZ 3.95Å; P543-F607 HydrophobicContact CG-CZ 4.26Å; R549-F607 HydrophobicContact CG-CE2 4.23Å; R549-F607 HydrophobicContact CG-CZ 4.47Å; L603-F607 HydrophobicContact CB-CD2 4.29Å; L603-F607 HydrophobicContact CD2-CE2 4.13Å; L603-F607 WeakPolarHBondContact O-CB 3.41Å; L603-F607 PolarHBondContact O-N 3.41Å; F607-F611 HydrophobicContact CB-CB 4.31Å; F607-F611 HydrophobicContact CB-CD2 3.55Å; F607-F611 HydrophobicContact CB-CE2 4.03Å; F607-F611 HydrophobicContact CB-CG 3.9Å; F607-F611 AromaticContact CD2-CD1 3.98Å; F607-F611 HydrophobicContact CD2-CD1 3.98Å; F607-F611 AromaticContact CD2-CD2 3.98Å; F607-F611 HydrophobicContact CD2-CD2 3.98Å; F607-F611 AromaticContact CD2-CE1 3.74Å; F607-F611 HydrophobicContact CD2-CE1 3.74Å; F607-F611 AromaticContact CD2-CE2 3.77Å; F607-F611 HydrophobicContact CD2-CE2 3.77Å; F607-F611 HydrophobicContact CD2-CG 4.11Å; F607-F611 AromaticContact CD2-CZ 3.65Å; F607-F611 HydrophobicContact CD2-CZ 3.65Å; F607-F611 HydrophobicContact CE2-CE1 4.19Å; F607-F611 HydrophobicContact CE2-CE2 4.44Å; F607-F611 HydrophobicContact CE2-CZ 4.01Å; F607-F611 HydrophobicContact CG-CD2 4.03Å; F607-F611 HydrophobicContact CG-CE2 4.01Å; F607-F611 HydrophobicContact CG-CG 4.43Å; F607-F611 HydrophobicContact CG-CZ 4.35Å
608	G	90.6	Very high	88.7	Confident	38 Å²	38	45 Å²	45	39%	0.392	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	60.6	-136.6	173.8	0	0	0	0	0	114	G604 R610 F611 G612	G604-G608 WeakPolarHBondContact O-CA 3.29Å; G604-G608 PolarHBondContact O-N 2.87Å; G608-R610 PolarHBondContact O-N 2.75Å; G608-R610 VanDerWaalsContact O-N 3.14Å; G608-F611 PolarHBondContact O-N 2.82Å; G608-F611 VanDerWaalsContact O-N 3.09Å; G608-G612 PolarHBondContact O-N 3.39Å
609	S	88.2	Confident	89	Confident	72 Å²	72	42.4 Å²	42.4	50%	0.503	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-60.5	-26.1	-172	52.4	0	0	0	0	114.4	F611 G612 N742 Q743	S609-F611 PolarHBondContact O-N 2.96Å; S609-G612 PolarHBondContact O-N 2.85Å; S609-N742 PolarHBondContact OG-ND2 2.72Å; S609-Q743 WeakPolarHBondContact O-CG 3.38Å; S609-Q743 PolarHBondContact O-NE2 2.8Å
610	R	91.4	Very high	89.3	Confident	58 Å²	58	44.4 Å²	44.4	22%	0.219	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-58.4	-35.3	175.6	-174.3	178.3	72.5	-178.8	11.2	112.5	R549 G608 R680 E684 L687	R549-R610 VanDerWaalsContact NH2-NH2 3.19Å; G608-R610 PolarHBondContact O-N 2.75Å; G608-R610 VanDerWaalsContact O-N 3.14Å; R610-R680 PolarHBondContact O-NH2 3.48Å; R610-E684 VanDerWaalsContact CD-OE1 3.27Å; R610-E684 WeakPolarHBondContact CD-OE1 3.36Å; R610-E684 IonicContact CZ-OE1 3.28Å; R610-E684 IonicContact CZ-OE2 2.71Å; R610-E684 IonicContact NE-OE1 2.85Å; R610-E684 PolarHBondContact NE-OE1 2.97Å; R610-E684 VanDerWaalsContact NE-OE1 3.09Å; R610-E684 IonicContact NH1-OE1 3.13Å; R610-E684 IonicContact NH2-OE1 3.19Å; R610-E684 IonicContact NH2-OE2 2.83Å; R610-L687 VanDerWaalsContact NH1-CD2 3.26Å
611	F	93	Very high	89.6	Confident	17 Å²	17	44 Å²	44	8%	0.075	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-96.6	2.2	178.9	-85.2	-128.9	0	0	0	112.2	R549 A552 P553 L603 F607 G608 S609 E684	R549-F611 HydrophobicContact CG-CE1 4.44Å; R549-F611 HydrophobicContact CG-CZ 3.81Å; R549-F611 WeakPolarHBondContact O-CZ 3.47Å; A552-F611 HydrophobicContact CB-CD1 4.04Å; A552-F611 HydrophobicContact CB-CE1 3.89Å; P553-F611 HydrophobicContact CG-CD1 4.15Å; P553-F611 HydrophobicContact CG-CD2 4.23Å; P553-F611 HydrophobicContact CG-CE1 3.83Å; P553-F611 HydrophobicContact CG-CE2 3.89Å; P553-F611 HydrophobicContact CG-CG 4.34Å; P553-F611 HydrophobicContact CG-CZ 3.67Å; L603-F611 HydrophobicContact CB-CD1 3.87Å; L603-F611 HydrophobicContact CB-CE1 4.17Å; L603-F611 HydrophobicContact CD1-CD1 4.42Å; L603-F611 HydrophobicContact CD1-CE1 4.05Å; F607-F611 HydrophobicContact CB-CB 4.31Å; F607-F611 HydrophobicContact CB-CD2 3.55Å; F607-F611 HydrophobicContact CB-CE2 4.03Å; F607-F611 HydrophobicContact CB-CG 3.9Å; F607-F611 AromaticContact CD2-CD1 3.98Å; F607-F611 HydrophobicContact CD2-CD1 3.98Å; F607-F611 AromaticContact CD2-CD2 3.98Å; F607-F611 HydrophobicContact CD2-CD2 3.98Å; F607-F611 AromaticContact CD2-CE1 3.74Å; F607-F611 HydrophobicContact CD2-CE1 3.74Å; F607-F611 AromaticContact CD2-CE2 3.77Å; F607-F611 HydrophobicContact CD2-CE2 3.77Å; F607-F611 HydrophobicContact CD2-CG 4.11Å; F607-F611 AromaticContact CD2-CZ 3.65Å; F607-F611 HydrophobicContact CD2-CZ 3.65Å; F607-F611 HydrophobicContact CE2-CE1 4.19Å; F607-F611 HydrophobicContact CE2-CE2 4.44Å; F607-F611 HydrophobicContact CE2-CZ 4.01Å; F607-F611 HydrophobicContact CG-CD2 4.03Å; F607-F611 HydrophobicContact CG-CE2 4.01Å; F607-F611 HydrophobicContact CG-CG 4.43Å; F607-F611 HydrophobicContact CG-CZ 4.35Å; G608-F611 PolarHBondContact O-N 2.82Å; G608-F611 VanDerWaalsContact O-N 3.09Å; S609-F611 PolarHBondContact O-N 2.96Å; F611-E684 HydrophobicContact CE2-CG 4.05Å; F611-E684 HydrophobicContact CZ-CG 4.13Å
612	G	86.6	Confident	89.9	Confident	24 Å²	24	40.9 Å²	40.9	25%	0.247	24%	0.241	C	C	.	.			trans	-62.4	166.8	170.1	0	0	0	0	0	111.9	G608 S609 R680 Q743	G608-G612 PolarHBondContact O-N 3.39Å; S609-G612 PolarHBondContact O-N 2.85Å; G612-R680 PolarHBondContact O-NH1 3.45Å; G612-R680 PolarHBondContact O-NH2 3.44Å; G612-Q743 VanDerWaalsContact C-CD 3.43Å; G612-Q743 VanDerWaalsContact CA-NE2 3.3Å; G612-Q743 PolarHBondContact O-NE2 3.13Å
613	G	87.6	Confident	90.3	Very high	13 Å²	13	40.7 Å²	40.7	13%	0.134	24%	0.241	C	C	.	.			trans	177.3	-113.7	-177.9	0	0	0	0	0	108.5	R560	R560-G613 VanDerWaalsContact CZ-O 3.31Å; R560-G613 PolarHBondContact NE-O 3.32Å; R560-G613 PolarHBondContact NH2-O 3.18Å
614	G	87.4	Confident	90.6	Very high	12 Å²	12	47 Å²	47	12%	0.124	28%	0.275	C	S	.	.	S	Bend	trans	-69.8	165.6	168.6	0	0	0	0	0	112.5	A556 V616	A556-G614 PolarHBondContact O-N 3.09Å; G614-V616 PolarHBondContact O-N 2.94Å
615	N	90.4	Very high	90.8	Very high	72 Å²	72	50.1 Å²	50.1	39%	0.385	29%	0.285	S	S	.	.			trans	-71.2	117.1	173.7	-171.4	-16.2	0	0	0	109.7	E617 V618	N615-E617 PolarHBondContact O-N 2.84Å; N615-E617 VanDerWaalsContact O-N 3.17Å; N615-E617 VanDerWaalsContact OD1-CB 3.27Å; N615-E617 WeakPolarHBondContact OD1-CB 3.3Å; N615-E617 WeakPolarHBondContact OD1-CG 3.41Å; N615-E617 PolarHBondContact OD1-N 2.87Å; N615-V618 WeakPolarHBondContact O-CB 3.46Å; N615-V618 WeakPolarHBondContact O-CG2 3.45Å; N615-V618 PolarHBondContact O-N 3.31Å
616	V	88.2	Confident	91	Very high	48 Å²	48	43.9 Å²	43.9	29%	0.291	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-23.6	179.9	-177.8	0	0	0	0	112	A600 E601 G614 V618 L619 K620	A600-V616 HydrophobicContact CB-CG1 4.4Å; A600-V616 HydrophobicContact CB-CG2 4.48Å; E601-V616 HydrophobicContact CG-CG1 4.47Å; G614-V616 PolarHBondContact O-N 2.94Å; V616-V618 PolarHBondContact O-N 2.99Å; V616-V618 VanDerWaalsContact O-N 3.12Å; V616-L619 WeakPolarHBondContact O-CB 3.44Å; V616-L619 PolarHBondContact O-N 2.76Å; V616-K620 PolarHBondContact O-N 3.09Å
617	E	91	Very high	91.2	Very high	80 Å²	80	41.7 Å²	41.7	37%	0.374	25%	0.245	S	C	.	.	H	α-helix	trans	-60	-21.4	174.8	-65.2	-57.4	136.9	0	0	113.3	N615 K620 T621 F659	N615-E617 PolarHBondContact O-N 2.84Å; N615-E617 VanDerWaalsContact O-N 3.17Å; N615-E617 VanDerWaalsContact OD1-CB 3.27Å; N615-E617 WeakPolarHBondContact OD1-CB 3.3Å; N615-E617 WeakPolarHBondContact OD1-CG 3.41Å; N615-E617 PolarHBondContact OD1-N 2.87Å; E617-K620 VanDerWaalsContact OE1-CD 3.28Å; E617-K620 WeakPolarHBondContact OE1-CD 3.36Å; E617-K620 IonicContact OE1-NZ 3.43Å; E617-K620 PolarHBondContact OE1-NZ 3.34Å; E617-K620 WeakPolarHBondContact OE2-CD 3.39Å; E617-T621 VanDerWaalsContact O-CB 3.26Å; E617-T621 WeakPolarHBondContact O-CB 3.49Å; E617-T621 PolarHBondContact O-N 3.19Å; E617-T621 PolarHBondContact O-OG1 2.88Å; E617-F659 HydrophobicContact CB-CE1 3.86Å; E617-F659 HydrophobicContact CB-CZ 4.02Å
618	V	92	Very high	91.2	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.024	25%	0.253	C	S	.	.	H	α-helix	trans	-61.1	-50.1	170	176	0	0	0	0	110.2	V559 Q563 N615 V616 K620 T621 M622 I655 L656 F659	V559-V618 HydrophobicContact CG1-CB 4.22Å; V559-V618 HydrophobicContact CG1-CG1 4.48Å; V559-V618 HydrophobicContact CG1-CG2 4.47Å; Q563-V618 HydrophobicContact CG-CG2 4.04Å; N615-V618 WeakPolarHBondContact O-CB 3.46Å; N615-V618 WeakPolarHBondContact O-CG2 3.45Å; N615-V618 PolarHBondContact O-N 3.31Å; V616-V618 PolarHBondContact O-N 2.99Å; V616-V618 VanDerWaalsContact O-N 3.12Å; V618-K620 VanDerWaalsContact C-N 3.35Å; V618-K620 PolarHBondContact O-N 3.3Å; V618-T621 PolarHBondContact O-N 3.12Å; V618-M622 HydrophobicContact CG1-SD 4.31Å; V618-M622 VanDerWaalsContact O-CG 3.28Å; V618-M622 WeakPolarHBondContact O-CG 3.48Å; V618-M622 PolarHBondContact O-N 3.27Å; V618-I655 HydrophobicContact CG1-CG2 4.26Å; V618-L656 HydrophobicContact CG1-CD2 4.43Å; V618-F659 HydrophobicContact CG2-CB 3.59Å; V618-F659 HydrophobicContact CG2-CD1 4.36Å; V618-F659 HydrophobicContact CG2-CD2 3.78Å; V618-F659 HydrophobicContact CG2-CG 3.68Å
619	L	91.5	Very high	91.2	Very high	17 Å²	17	41.7 Å²	41.7	9%	0.089	23%	0.234	C	C	.	.	H	α-helix	trans	-65	-40.6	-179.5	-58.8	176.6	0	0	0	110.8	V559 I593 A596 A597 V616 M622 V623	V559-L619 HydrophobicContact CG2-CD1 4.35Å; V559-L619 HydrophobicContact CG2-CD2 3.97Å; V559-L619 HydrophobicContact CG2-CG 4.26Å; I593-L619 HydrophobicContact CG2-CB 4.26Å; I593-L619 HydrophobicContact CG2-CD2 3.96Å; A596-L619 HydrophobicContact CB-CD1 4.45Å; A597-L619 HydrophobicContact CB-CB 3.93Å; V616-L619 WeakPolarHBondContact O-CB 3.44Å; V616-L619 PolarHBondContact O-N 2.76Å; L619-M622 WeakPolarHBondContact O-CB 3.49Å; L619-M622 PolarHBondContact O-N 3.14Å; L619-V623 VanDerWaalsContact O-CG2 3.25Å; L619-V623 WeakPolarHBondContact O-CG2 3.47Å; L619-V623 PolarHBondContact O-N 3.14Å
620	K	92.3	Very high	91.1	Very high	58 Å²	58	44.9 Å²	44.9	25%	0.252	24%	0.235	S	C	.	.	H	α-helix	trans	-63.5	-48.4	176.4	-67	174.3	-179.7	-178.9	0	112.4	E601 V616 E617 V618 M622 V623 D624	E601-K620 WeakPolarHBondContact OE1-CE 3.47Å; E601-K620 IonicContact OE1-NZ 2.75Å; E601-K620 PolarHBondContact OE1-NZ 3.15Å; V616-K620 PolarHBondContact O-N 3.09Å; E617-K620 VanDerWaalsContact OE1-CD 3.28Å; E617-K620 WeakPolarHBondContact OE1-CD 3.36Å; E617-K620 IonicContact OE1-NZ 3.43Å; E617-K620 PolarHBondContact OE1-NZ 3.34Å; E617-K620 WeakPolarHBondContact OE2-CD 3.39Å; V618-K620 VanDerWaalsContact C-N 3.35Å; V618-K620 PolarHBondContact O-N 3.3Å; K620-M622 VanDerWaalsContact C-N 3.25Å; K620-M622 PolarHBondContact O-N 2.87Å; K620-V623 WeakPolarHBondContact O-CA 3.24Å; K620-V623 WeakPolarHBondContact O-CB 3.19Å; K620-V623 PolarHBondContact O-N 2.91Å; K620-D624 PolarHBondContact O-N 2.88Å
621	T	93.4	Very high	90.7	Very high	25 Å²	25	47.9 Å²	47.9	15%	0.153	25%	0.25	C	S	.	.	H	α-helix	trans	-58	-41.2	176.9	-57.5	0	0	0	0	110.9	E617 V618 D624 L625 I655 F659	E617-T621 VanDerWaalsContact O-CB 3.26Å; E617-T621 WeakPolarHBondContact O-CB 3.49Å; E617-T621 PolarHBondContact O-N 3.19Å; E617-T621 PolarHBondContact O-OG1 2.88Å; V618-T621 PolarHBondContact O-N 3.12Å; T621-D624 PolarHBondContact O-N 3.27Å; T621-L625 HydrophobicContact CG2-CD1 3.99Å; T621-L625 WeakPolarHBondContact O-CB 3.1Å; T621-L625 VanDerWaalsContact O-CG 3.29Å; T621-L625 WeakPolarHBondContact O-CG 3.4Å; T621-L625 PolarHBondContact O-N 3.29Å; T621-L625 VanDerWaalsContact O-N 3.1Å; T621-I655 HydrophobicContact CG2-CG1 4.44Å; T621-I655 HydrophobicContact CG2-CG2 4.28Å; T621-F659 HydrophobicContact CG2-CE2 4.33Å; T621-F659 WeakPolarHBondContact OG1-CE2 3.4Å
622	M	93.5	Very high	90.5	Very high	4 Å²	4	49.4 Å²	49.4	2%	0.02	26%	0.263	C	S	.	.	H	α-helix	trans	-59.2	-47.9	173.1	-74.1	177	74	0	0	111.5	I593 V618 L619 K620 D624 L625 G626 F627 I652 I655	I593-M622 HydrophobicContact CD1-CE 4.09Å; I593-M622 HydrophobicContact CG1-CE 3.93Å; I593-M622 HydrophobicContact CG2-CB 3.9Å; I593-M622 HydrophobicContact CG2-CE 4.15Å; I593-M622 HydrophobicContact CG2-SD 4.14Å; V618-M622 HydrophobicContact CG1-SD 4.31Å; V618-M622 VanDerWaalsContact O-CG 3.28Å; V618-M622 WeakPolarHBondContact O-CG 3.48Å; V618-M622 PolarHBondContact O-N 3.27Å; L619-M622 WeakPolarHBondContact O-CB 3.49Å; L619-M622 PolarHBondContact O-N 3.14Å; K620-M622 VanDerWaalsContact C-N 3.25Å; K620-M622 PolarHBondContact O-N 2.87Å; M622-D624 PolarHBondContact O-N 3.23Å; M622-L625 PolarHBondContact O-N 3.43Å; M622-G626 PolarHBondContact O-N 2.86Å; M622-F627 HydrophobicContact CB-CB 3.97Å; M622-F627 HydrophobicContact CE-CB 4.3Å; M622-F627 HydrophobicContact CG-CD2 4.36Å; M622-F627 WeakPolarHBondContact O-CA 3.06Å; M622-F627 VanDerWaalsContact O-CB 3.27Å; M622-F627 WeakPolarHBondContact O-CB 3.32Å; M622-F627 PolarHBondContact O-N 2.95Å; M622-I652 HydrophobicContact CE-CD1 3.62Å; M622-I652 HydrophobicContact CG-CD1 3.94Å; M622-I652 HydrophobicContact SD-CD1 3.73Å; M622-I655 HydrophobicContact CG-CD1 3.92Å
623	V	93.5	Very high	90.6	Very high	31 Å²	31	49.4 Å²	49.4	19%	0.188	26%	0.263	C	S	.	.	H	α-helix	trans	-61.6	-43.5	179.6	173.4	0	0	0	0	112	I593 D594 L619 K620 L625 G626	I593-V623 HydrophobicContact CG2-CG2 4.08Å; D594-V623 VanDerWaalsContact CA-CG2 3.48Å; D594-V623 HydrophobicContact CB-CG1 4.12Å; D594-V623 HydrophobicContact CB-CG2 3.76Å; L619-V623 VanDerWaalsContact O-CG2 3.25Å; L619-V623 WeakPolarHBondContact O-CG2 3.47Å; L619-V623 PolarHBondContact O-N 3.14Å; K620-V623 WeakPolarHBondContact O-CA 3.24Å; K620-V623 WeakPolarHBondContact O-CB 3.19Å; K620-V623 PolarHBondContact O-N 2.91Å; V623-L625 VanDerWaalsContact C-N 3.29Å; V623-L625 PolarHBondContact O-N 2.78Å; V623-G626 WeakPolarHBondContact O-CA 3.39Å; V623-G626 PolarHBondContact O-N 2.84Å
624	D	93.7	Very high	90.9	Very high	135 Å²	135	52.4 Å²	52.4	72%	0.722	27%	0.272	S	S	*	.	H	α-helix	trans	-63.6	-35.2	179.4	-67.8	-21.1	0	0	0	111.9	K620 T621 M622 G626	K620-D624 PolarHBondContact O-N 2.88Å; T621-D624 PolarHBondContact O-N 3.27Å; M622-D624 PolarHBondContact O-N 3.23Å; D624-G626 PolarHBondContact O-N 3.27Å
625	L	93.1	Very high	91.1	Very high	93 Å²	93	51.8 Å²	51.8	49%	0.487	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	3.1	173.3	-64.3	172.2	0	0	0	113.4	T621 M622 V623 F627 K634 I655	T621-L625 HydrophobicContact CG2-CD1 3.99Å; T621-L625 WeakPolarHBondContact O-CB 3.1Å; T621-L625 VanDerWaalsContact O-CG 3.29Å; T621-L625 WeakPolarHBondContact O-CG 3.4Å; T621-L625 PolarHBondContact O-N 3.29Å; T621-L625 VanDerWaalsContact O-N 3.1Å; M622-L625 PolarHBondContact O-N 3.43Å; V623-L625 VanDerWaalsContact C-N 3.29Å; V623-L625 PolarHBondContact O-N 2.78Å; L625-F627 HydrophobicContact CB-CD1 4.43Å; L625-F627 HydrophobicContact CB-CE1 4.37Å; L625-F627 HydrophobicContact CB-CZ 4.49Å; L625-K634 PolarHBondContact O-NZ 2.72Å; L625-I655 HydrophobicContact CD1-CD1 3.67Å; L625-I655 HydrophobicContact CD1-CG1 4.06Å
626	G	92.4	Very high	91.2	Very high	25 Å²	25	48.6 Å²	48.6	26%	0.258	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	18.5	178.8	0	0	0	0	0	114.5	M622 V623 D624 K628 S632 K634	M622-G626 PolarHBondContact O-N 2.86Å; V623-G626 WeakPolarHBondContact O-CA 3.39Å; V623-G626 PolarHBondContact O-N 2.84Å; D624-G626 PolarHBondContact O-N 3.27Å; G626-K628 PolarHBondContact O-N 2.91Å; G626-S632 PolarHBondContact O-OG 3.09Å; G626-K634 VanDerWaalsContact O-CE 3.31Å; G626-K634 WeakPolarHBondContact O-CE 3.43Å
627	F	93.7	Very high	91.5	Very high	7 Å²	7	46.4 Å²	46.4	3%	0.031	24%	0.236	C	C	.	.			trans	-86	75.3	175.9	-61.1	-2.4	0	0	0	110.1	I593 M622 L625 K634 N649 D651 I652 I655	I593-F627 WeakPolarHBondContact CB-O 3.5Å; M622-F627 HydrophobicContact CB-CB 3.97Å; M622-F627 HydrophobicContact CE-CB 4.3Å; M622-F627 HydrophobicContact CG-CD2 4.36Å; M622-F627 WeakPolarHBondContact O-CA 3.06Å; M622-F627 VanDerWaalsContact O-CB 3.27Å; M622-F627 WeakPolarHBondContact O-CB 3.32Å; M622-F627 PolarHBondContact O-N 2.95Å; L625-F627 HydrophobicContact CB-CD1 4.43Å; L625-F627 HydrophobicContact CB-CE1 4.37Å; L625-F627 HydrophobicContact CB-CZ 4.49Å; F627-K634 CarbonylContact C-O 3.36Å; F627-K634 VanDerWaalsContact CA-O 3.32Å; F627-K634 WeakPolarHBondContact CA-O 3.24Å; F627-K634 HydrophobicContact CD1-CD 3.58Å; F627-K634 HydrophobicContact CD1-CG 3.93Å; F627-K634 HydrophobicContact CE1-CD 3.74Å; F627-N649 VanDerWaalsContact CE2-ND2 3.32Å; F627-N649 WeakPolarHBondContact CE2-ND2 3.27Å; F627-D651 HydrophobicContact CE2-CB 3.9Å; F627-D651 HydrophobicContact CZ-CB 3.48Å; F627-D651 VanDerWaalsContact CZ-CB 3.48Å; F627-I652 HydrophobicContact CD2-CD1 4.43Å; F627-I655 HydrophobicContact CD2-CD1 3.78Å; F627-I655 HydrophobicContact CE2-CD1 3.58Å
628	K	91.6	Very high	91.6	Very high	80 Å²	80	45.1 Å²	45.1	35%	0.348	23%	0.231	S	C	.	.			trans	-95	12.5	-178.2	-52.9	-175.5	177.6	-172.6	0	113.7	G592 G626 K631 S632 K634	G592-K628 WeakPolarHBondContact CA-O 3.34Å; G626-K628 PolarHBondContact O-N 2.91Å; K628-K631 HydrophobicContact CB-CG 4.22Å; K628-S632 WeakPolarHBondContact CA-OG 3.22Å; K628-S632 WeakPolarHBondContact CB-OG 3.49Å; K628-S632 PolarHBondContact N-OG 3.43Å; K628-K634 PolarHBondContact N-O 3.22Å
629	G	91	Very high	91.5	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	84.8	-144.4	-179.6	0	0	0	0	0	113.1	D589 K631 S632 G633 K634	D589-G629 WeakPolarHBondContact O-CA 3.47Å; G629-K631 VanDerWaalsContact C-N 3.27Å; G629-K631 PolarHBondContact O-N 2.9Å; G629-S632 PolarHBondContact N-OG 2.8Å; G629-S632 PolarHBondContact O-N 2.83Å; G629-S632 PolarHBondContact O-OG 2.97Å; G629-S632 VanDerWaalsContact O-OG 3.09Å; G629-G633 PolarHBondContact O-N 2.79Å; G629-K634 WeakPolarHBondContact CA-O 2.97Å; G629-K634 PolarHBondContact N-O 3.29Å; G629-K634 CarbonylContact O-C 3.52Å; G629-K634 PolarHBondContact O-N 2.74Å; G629-K634 VanDerWaalsContact O-N 3.09Å
630	R	86.7	Confident	91.2	Very high	139 Å²	139	50.8 Å²	50.8	53%	0.525	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-62.8	-32.6	-172	-167.7	171.2	-170.3	174.3	10.6	113.3	D589 E590 S632 G633 Y639	D589-R630 PolarHBondContact O-N 3.26Å; E590-R630 VanDerWaalsContact CD-CD 3.49Å; E590-R630 WeakPolarHBondContact OE1-CD 3.34Å; E590-R630 IonicContact OE1-CZ 3.4Å; E590-R630 IonicContact OE1-NE 3.37Å; E590-R630 IonicContact OE1-NH1 3.31Å; E590-R630 PolarHBondContact OE1-NH1 2.76Å; E590-R630 WeakPolarHBondContact OE2-CD 3.32Å; E590-R630 IonicContact OE2-CZ 3.33Å; E590-R630 IonicContact OE2-NE 2.74Å; E590-R630 IonicContact OE2-NH1 3.85Å; E590-R630 PolarHBondContact OE2-NH1 3.43Å; R630-S632 VanDerWaalsContact C-N 3.35Å; R630-S632 PolarHBondContact O-N 3.06Å; R630-G633 PolarHBondContact O-N 3.33Å; R630-Y639 HydrophobicContact CB-CD1 4.46Å; R630-Y639 HydrophobicContact CB-CD2 4.35Å; R630-Y639 HydrophobicContact CB-CE1 4.48Å; R630-Y639 HydrophobicContact CB-CE2 4.4Å; R630-Y639 HydrophobicContact CB-CG 4.39Å; R630-Y639 HydrophobicContact CG-CD1 4.01Å; R630-Y639 HydrophobicContact CG-CE1 4.34Å; R630-Y639 HydrophobicContact CG-CG 4.13Å
631	K	82.4	Confident	90.5	Very high	122 Å²	122	54.5 Å²	54.5	53%	0.53	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-70.5	-26.5	-179.3	68.4	-173.8	-173.7	-175.6	0	114.1	D594 K628 G629	D594-K631 WeakPolarHBondContact OD1-CE 3.38Å; D594-K631 IonicContact OD1-NZ 2.64Å; D594-K631 PolarHBondContact OD1-NZ 2.92Å; D594-K631 WeakPolarHBondContact OD2-CE 3.47Å; D594-K631 IonicContact OD2-NZ 3.78Å; D594-K631 PolarHBondContact OD2-NZ 3.26Å; K628-K631 HydrophobicContact CB-CG 4.22Å; G629-K631 VanDerWaalsContact C-N 3.27Å; G629-K631 PolarHBondContact O-N 2.9Å
632	S	88.4	Confident	89.5	Confident	49 Å²	49	57.6 Å²	57.6	34%	0.343	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-98.1	0.9	173.1	53.2	0	0	0	0	112.9	G626 K628 G629 R630 K634	G626-S632 PolarHBondContact O-OG 3.09Å; K628-S632 WeakPolarHBondContact CA-OG 3.22Å; K628-S632 WeakPolarHBondContact CB-OG 3.49Å; K628-S632 PolarHBondContact N-OG 3.43Å; G629-S632 PolarHBondContact N-OG 2.8Å; G629-S632 PolarHBondContact O-N 2.83Å; G629-S632 PolarHBondContact O-OG 2.97Å; G629-S632 VanDerWaalsContact O-OG 3.09Å; R630-S632 VanDerWaalsContact C-N 3.35Å; R630-S632 PolarHBondContact O-N 3.06Å; S632-K634 PolarHBondContact O-N 3.19Å; S632-K634 PolarHBondContact OG-O 2.9Å
633	G	89.2	Confident	88.8	Confident	24 Å²	24	63.5 Å²	63.5	25%	0.247	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	0.7	-175.1	0	0	0	0	0	114.6	G629 R630 Y639	G629-G633 PolarHBondContact O-N 2.79Å; R630-G633 PolarHBondContact O-N 3.33Å; G633-Y639 PolarHBondContact O-N 3.33Å
634	K	92.5	Very high	87.2	Confident	75 Å²	75	72.3 Å²	72.3	33%	0.326	38%	0.38	S	S	.	.	B	Isolated β-bridge	trans	-156	137.4	-177.2	59.6	177	-173.5	163.8	0	112.3	L625 G626 F627 K628 G629 S632 Y637	L625-K634 PolarHBondContact O-NZ 2.72Å; G626-K634 VanDerWaalsContact O-CE 3.31Å; G626-K634 WeakPolarHBondContact O-CE 3.43Å; F627-K634 CarbonylContact C-O 3.36Å; F627-K634 VanDerWaalsContact CA-O 3.32Å; F627-K634 WeakPolarHBondContact CA-O 3.24Å; F627-K634 HydrophobicContact CD1-CD 3.58Å; F627-K634 HydrophobicContact CD1-CG 3.93Å; F627-K634 HydrophobicContact CE1-CD 3.74Å; K628-K634 PolarHBondContact N-O 3.22Å; G629-K634 WeakPolarHBondContact CA-O 2.97Å; G629-K634 PolarHBondContact N-O 3.29Å; G629-K634 CarbonylContact O-C 3.52Å; G629-K634 PolarHBondContact O-N 2.74Å; G629-K634 VanDerWaalsContact O-N 3.09Å; S632-K634 PolarHBondContact O-N 3.19Å; S632-K634 PolarHBondContact OG-O 2.9Å; K634-Y637 CarbonylContact C-O 3.55Å; K634-Y637 WeakPolarHBondContact CA-O 3.45Å
635	G	92.8	Very high	86	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	37%	0.371	C	S	.	.	S	Bend	trans	-156.1	-127.7	179.4	0	0	0	0	0	110.3	D589 Y637 N649	D589-G635 VanDerWaalsContact OD1-CA 3.31Å; D589-G635 WeakPolarHBondContact OD1-CA 3.12Å; G635-Y637 PolarHBondContact N-O 3.26Å; G635-Y637 PolarHBondContact O-N 3.18Å; G635-N649 WeakPolarHBondContact O-CB 3Å; G635-N649 PolarHBondContact O-ND2 3.46Å
636	C	92.8	Very high	85.5	Confident	5 Å²	5	67.5 Å²	67.5	3%	0.034	36%	0.363	C	S	.	.	S	Bend	trans	-60.8	-30.1	161.1	-68.4	0	0	0	0	111.6	P568 A585 D589 N649	P568-C636 HydrophobicContact CB-CB 4.42Å; P568-C636 HydrophobicContact CG-CB 4.47Å; A585-C636 HydrophobicContact CB-CB 4.37Å; D589-C636 VanDerWaalsContact CG-N 3.33Å; D589-C636 PolarHBondContact OD1-N 3.47Å; D589-C636 WeakPolarHBondContact OD2-CB 3.34Å; D589-C636 PolarHBondContact OD2-N 3.29Å; C636-N649 WeakPolarHBondContact O-CB 3.47Å; C636-N649 PolarHBondContact O-N 2.61Å
637	Y	94.2	Very high	85.3	Confident	1 Å²	1	69.5 Å²	69.5	0%	0.004	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	163	176.1	-60	-85.7	0	0	0	112.6	P568 K569 D572 A585 T586 D589 K634 G635 Y639 K646 D647 V648	P568-Y637 HydrophobicContact CB-CE1 4.46Å; P568-Y637 HydrophobicContact CB-CE2 4.25Å; P568-Y637 PolarHBondContact O-OH 3.38Å; K569-Y637 HydrophobicContact CG-CE1 4.22Å; K569-Y637 PolarHBondContact N-OH 2.91Å; D572-Y637 VanDerWaalsContact CG-OH 3.26Å; D572-Y637 PolarHBondContact OD2-OH 3.1Å; D572-Y637 VanDerWaalsContact OD2-OH 3.11Å; A585-Y637 HydrophobicContact CB-CE2 4.14Å; T586-Y637 WeakPolarHBondContact OG1-CE2 3.28Å; D589-Y637 PolarHBondContact OD2-N 2.74Å; K634-Y637 CarbonylContact C-O 3.55Å; K634-Y637 WeakPolarHBondContact CA-O 3.45Å; G635-Y637 PolarHBondContact N-O 3.26Å; G635-Y637 PolarHBondContact O-N 3.18Å; Y637-Y639 WeakPolarHBondContact O-CE2 3.26Å; Y637-K646 HydrophobicContact CD1-CB 4.14Å; Y637-K646 HydrophobicContact CD1-CD 3.98Å; Y637-K646 HydrophobicContact CD1-CG 3.67Å; Y637-K646 HydrophobicContact CD2-CD 4.12Å; Y637-K646 HydrophobicContact CE1-CD 4.24Å; Y637-K646 HydrophobicContact CE1-CG 4.13Å; Y637-K646 HydrophobicContact CE2-CD 4.37Å; Y637-K646 HydrophobicContact CG-CB 4.2Å; Y637-K646 HydrophobicContact CG-CD 3.92Å; Y637-K646 HydrophobicContact CG-CG 3.97Å; Y637-D647 CarbonylContact C-O 3.54Å; Y637-D647 VanDerWaalsContact CA-O 3.24Å; Y637-D647 WeakPolarHBondContact CA-O 3.37Å; Y637-D647 WeakPolarHBondContact CB-O 3.48Å; Y637-D647 WeakPolarHBondContact CD1-O 3.45Å; Y637-V648 HydrophobicContact CD1-CG2 4.11Å; Y637-V648 HydrophobicContact CE1-CG2 3.73Å
638	I	92.6	Very high	85.2	Confident	53 Å²	53	71.1 Å²	71.1	27%	0.272	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	130.8	169.6	-63.6	169.6	0	0	0	109.8	Q640 D647 N649	I638-Q640 HydrophobicContact CG2-CG 4.23Å; I638-D647 PolarHBondContact N-O 3.31Å; I638-N649 HydrophobicContact CG1-CB 4.12Å
639	Y	89.3	Confident	85.2	Confident	33 Å²	33	67.5 Å²	67.5	13%	0.129	36%	0.363	C	S	.	.			trans	-116.6	108.4	-178.7	-60.1	-87	0	0	0	110.6	D589 R630 G633 Y637 K646	D589-Y639 HydrophobicContact CB-CE2 3.86Å; D589-Y639 WeakPolarHBondContact CB-OH 3.34Å; D589-Y639 WeakPolarHBondContact OD2-CE2 3.29Å; D589-Y639 PolarHBondContact OD2-OH 3.04Å; D589-Y639 VanDerWaalsContact OD2-OH 3.12Å; R630-Y639 HydrophobicContact CB-CD1 4.46Å; R630-Y639 HydrophobicContact CB-CD2 4.35Å; R630-Y639 HydrophobicContact CB-CE1 4.48Å; R630-Y639 HydrophobicContact CB-CE2 4.4Å; R630-Y639 HydrophobicContact CB-CG 4.39Å; R630-Y639 HydrophobicContact CG-CD1 4.01Å; R630-Y639 HydrophobicContact CG-CE1 4.34Å; R630-Y639 HydrophobicContact CG-CG 4.13Å; G633-Y639 PolarHBondContact O-N 3.33Å; Y637-Y639 WeakPolarHBondContact O-CE2 3.26Å; Y639-K646 HydrophobicContact CE1-CB 4.46Å
640	Q	85.3	Confident	85.2	Confident	107 Å²	107	71.7 Å²	71.7	50%	0.5	39%	0.39	S	S	.	.			trans	-103.6	133.1	176.7	-70.6	174.1	-11.1	0	0	110.9	I638 G642 R643	I638-Q640 HydrophobicContact CG2-CG 4.23Å; Q640-G642 PolarHBondContact O-N 2.89Å; Q640-R643 HydrophobicContact CB-CB 4.13Å; Q640-R643 PolarHBondContact O-N 2.97Å; Q640-R643 VanDerWaalsContact OE1-CD 3.25Å
641	P	78.3	Confident	85.3	Confident	136 Å²	136	69 Å²	69	88%	0.883	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	129.6	174.1	-24.3	33.4	0	0	0	111.5	R643	P641-R643 VanDerWaalsContact C-N 3.31Å; P641-R643 PolarHBondContact O-N 2.69Å
642	G	72.9	Confident	85.6	Confident	90 Å²	90	63.6 Å²	63.6	93%	0.928	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.8	-8.2	175	0	0	0	0	0	116.4	Q640	Q640-G642 PolarHBondContact O-N 2.89Å
643	R	77.8	Confident	85.6	Confident	128 Å²	128	62.9 Å²	62.9	48%	0.483	36%	0.364	S	S	.	.			trans	-88.3	129.2	177.9	-166.2	170.6	175.3	-146.3	-10.9	111.4	Q640 P641 G645 D647	Q640-R643 HydrophobicContact CB-CB 4.13Å; Q640-R643 PolarHBondContact O-N 2.97Å; Q640-R643 VanDerWaalsContact OE1-CD 3.25Å; P641-R643 VanDerWaalsContact C-N 3.31Å; P641-R643 PolarHBondContact O-N 2.69Å; R643-G645 PolarHBondContact O-N 3.06Å; R643-D647 IonicContact CZ-OD2 2.72Å; R643-D647 IonicContact NH1-OD2 2.79Å; R643-D647 PolarHBondContact NH1-OD2 2.98Å; R643-D647 IonicContact NH2-OD1 2.93Å; R643-D647 IonicContact NH2-OD2 3.8Å; R643-D647 PolarHBondContact NH2-OD2 3.15Å
644	K	59.5	Low	85.5	Confident	216 Å²	216	67.7 Å²	67.7	94%	0.939	38%	0.384	S	S	*	.	S	Bend	trans	-85.3	80.9	174.1	-75.2	-175.4	179.7	175.3	0	110
645	G	68.8	Low	85.4	Confident	50 Å²	50	64.6 Å²	64.6	52%	0.515	37%	0.371	S	S	.	.			trans	161.1	163.5	177.8	0	0	0	0	0	111.2	R643	R643-G645 PolarHBondContact O-N 3.06Å
646	K	82.3	Confident	85.3	Confident	77 Å²	77	65.7 Å²	65.7	34%	0.335	38%	0.376	S	S	.	.			trans	-132.6	122	174	68.3	-171.1	-173	-165.3	0	107	D572 T586 Y637 Y639	D572-K646 IonicContact OD2-NZ 2.64Å; D572-K646 PolarHBondContact OD2-NZ 2.85Å; T586-K646 HydrophobicContact CG2-CD 4.46Å; T586-K646 WeakPolarHBondContact OG1-CE 3.29Å; T586-K646 PolarHBondContact OG1-NZ 2.72Å; Y637-K646 HydrophobicContact CD1-CB 4.14Å; Y637-K646 HydrophobicContact CD1-CD 3.98Å; Y637-K646 HydrophobicContact CD1-CG 3.67Å; Y637-K646 HydrophobicContact CD2-CD 4.12Å; Y637-K646 HydrophobicContact CE1-CD 4.24Å; Y637-K646 HydrophobicContact CE1-CG 4.13Å; Y637-K646 HydrophobicContact CE2-CD 4.37Å; Y637-K646 HydrophobicContact CG-CB 4.2Å; Y637-K646 HydrophobicContact CG-CD 3.92Å; Y637-K646 HydrophobicContact CG-CG 3.97Å; Y639-K646 HydrophobicContact CE1-CB 4.46Å
647	D	89.7	Confident	85.2	Confident	68 Å²	68	71 Å²	71	36%	0.364	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	146.8	173.5	-65.5	-39.3	0	0	0	108.1	Y637 I638 R643 N649	Y637-D647 CarbonylContact C-O 3.54Å; Y637-D647 VanDerWaalsContact CA-O 3.24Å; Y637-D647 WeakPolarHBondContact CA-O 3.37Å; Y637-D647 WeakPolarHBondContact CB-O 3.48Å; Y637-D647 WeakPolarHBondContact CD1-O 3.45Å; I638-D647 PolarHBondContact N-O 3.31Å; R643-D647 IonicContact CZ-OD2 2.72Å; R643-D647 IonicContact NH1-OD2 2.79Å; R643-D647 PolarHBondContact NH1-OD2 2.98Å; R643-D647 IonicContact NH2-OD1 2.93Å; R643-D647 IonicContact NH2-OD2 3.8Å; R643-D647 PolarHBondContact NH2-OD2 3.15Å; D647-N649 PolarHBondContact O-N 2.97Å
648	V	91.6	Very high	85.1	Confident	41 Å²	41	78.1 Å²	78.1	25%	0.248	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	135.1	173.4	172.7	0	0	0	0	107.4	P568 K569 Y637 P650 I652	P568-V648 HydrophobicContact CG-CG1 4.39Å; K569-V648 HydrophobicContact CD-CG2 3.7Å; K569-V648 HydrophobicContact CG-CG2 3.56Å; Y637-V648 HydrophobicContact CD1-CG2 4.11Å; Y637-V648 HydrophobicContact CE1-CG2 3.73Å; V648-P650 WeakPolarHBondContact O-CD 3.36Å; V648-I652 HydrophobicContact CG1-CG2 4.06Å
649	N	91.6	Very high	85.2	Confident	3 Å²	3	77.1 Å²	77.1	2%	0.016	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-66.4	116.8	176.9	-178.9	6.8	0	0	0	108.9	F627 G635 C636 I638 D647 D651 I652	F627-N649 VanDerWaalsContact CE2-ND2 3.32Å; F627-N649 WeakPolarHBondContact CE2-ND2 3.27Å; G635-N649 WeakPolarHBondContact O-CB 3Å; G635-N649 PolarHBondContact O-ND2 3.46Å; C636-N649 WeakPolarHBondContact O-CB 3.47Å; C636-N649 PolarHBondContact O-N 2.61Å; I638-N649 HydrophobicContact CG1-CB 4.12Å; D647-N649 PolarHBondContact O-N 2.97Å; N649-D651 PolarHBondContact O-N 3.01Å; N649-D651 PolarHBondContact OD1-N 3.24Å; N649-I652 HydrophobicContact CB-CB 4.3Å; N649-I652 WeakPolarHBondContact O-CB 2.98Å; N649-I652 WeakPolarHBondContact O-CG2 3.36Å; N649-I652 PolarHBondContact O-N 3.37Å; N649-I652 VanDerWaalsContact O-N 3.15Å
650	P	89.6	Confident	85.4	Confident	89 Å²	89	80.7 Å²	80.7	58%	0.578	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-34.9	-179	25.3	-33.1	0	0	0	111.8	V648 I652 G653	V648-P650 WeakPolarHBondContact O-CD 3.36Å; P650-I652 PolarHBondContact O-N 3.22Å; P650-G653 PolarHBondContact O-N 2.78Å; P650-G653 VanDerWaalsContact O-N 3.14Å
651	D	89.7	Confident	85.8	Confident	83 Å²	83	78.8 Å²	78.8	44%	0.444	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-13.4	-178.3	-53.3	-16.1	0	0	0	112.8	F627 N649 G653	F627-D651 HydrophobicContact CE2-CB 3.9Å; F627-D651 HydrophobicContact CZ-CB 3.48Å; F627-D651 VanDerWaalsContact CZ-CB 3.48Å; N649-D651 PolarHBondContact O-N 3.01Å; N649-D651 PolarHBondContact OD1-N 3.24Å; D651-G653 PolarHBondContact O-N 3.43Å
652	I	89.1	Confident	86.4	Confident	7 Å²	7	78.7 Å²	78.7	4%	0.036	43%	0.431	C	S	.	.	H	α-helix	trans	-69.3	-26.1	174.2	-156.4	58.2	0	0	0	111.3	M622 F627 V648 N649 P650 D654 I655 L656	M622-I652 HydrophobicContact CE-CD1 3.62Å; M622-I652 HydrophobicContact CG-CD1 3.94Å; M622-I652 HydrophobicContact SD-CD1 3.73Å; F627-I652 HydrophobicContact CD2-CD1 4.43Å; V648-I652 HydrophobicContact CG1-CG2 4.06Å; N649-I652 HydrophobicContact CB-CB 4.3Å; N649-I652 WeakPolarHBondContact O-CB 2.98Å; N649-I652 WeakPolarHBondContact O-CG2 3.36Å; N649-I652 PolarHBondContact O-N 3.37Å; N649-I652 VanDerWaalsContact O-N 3.15Å; P650-I652 PolarHBondContact O-N 3.22Å; I652-D654 VanDerWaalsContact C-N 3.35Å; I652-D654 PolarHBondContact O-N 2.99Å; I652-I655 HydrophobicContact CD1-CD1 4.19Å; I652-I655 PolarHBondContact O-N 3.39Å; I652-L656 HydrophobicContact CG1-CD1 4.17Å; I652-L656 HydrophobicContact CG1-CG 4.24Å; I652-L656 HydrophobicContact CG2-CD1 4.41Å; I652-L656 WeakPolarHBondContact O-CG 3.47Å; I652-L656 PolarHBondContact O-N 3.48Å
653	G	87.3	Confident	87.4	Confident	35 Å²	35	77 Å²	77	36%	0.361	40%	0.404	S	S	.	.	H	α-helix	trans	-60.5	-44.6	-179.7	0	0	0	0	0	111.8	P650 D651 I655 L656 E657	P650-G653 PolarHBondContact O-N 2.78Å; P650-G653 VanDerWaalsContact O-N 3.14Å; D651-G653 PolarHBondContact O-N 3.43Å; G653-I655 VanDerWaalsContact C-N 3.34Å; G653-I655 PolarHBondContact O-N 2.76Å; G653-L656 PolarHBondContact O-N 3.29Å; G653-E657 WeakPolarHBondContact O-CB 3.5Å; G653-E657 PolarHBondContact O-N 2.96Å
654	D	89	Confident	88.1	Confident	125 Å²	125	73.9 Å²	73.9	67%	0.668	40%	0.397	S	S	*	.	H	α-helix	trans	-65	-38.5	-180	-62.7	-23.6	0	0	0	112	I652 K658	I652-D654 VanDerWaalsContact C-N 3.35Å; I652-D654 PolarHBondContact O-N 2.99Å; D654-K658 WeakPolarHBondContact O-CB 3.18Å; D654-K658 PolarHBondContact O-N 2.92Å; D654-K658 VanDerWaalsContact O-N 3.12Å
655	I	89.8	Confident	89.6	Confident	9 Å²	9	69.3 Å²	69.3	5%	0.046	39%	0.389	C	S	.	.	H	α-helix	trans	-66.2	-48.1	175.7	-57.9	175.6	0	0	0	109.9	V618 T621 M622 L625 F627 I652 G653 E657 K658 F659	V618-I655 HydrophobicContact CG1-CG2 4.26Å; T621-I655 HydrophobicContact CG2-CG1 4.44Å; T621-I655 HydrophobicContact CG2-CG2 4.28Å; M622-I655 HydrophobicContact CG-CD1 3.92Å; L625-I655 HydrophobicContact CD1-CD1 3.67Å; L625-I655 HydrophobicContact CD1-CG1 4.06Å; F627-I655 HydrophobicContact CD2-CD1 3.78Å; F627-I655 HydrophobicContact CE2-CD1 3.58Å; I652-I655 HydrophobicContact CD1-CD1 4.19Å; I652-I655 PolarHBondContact O-N 3.39Å; G653-I655 VanDerWaalsContact C-N 3.34Å; G653-I655 PolarHBondContact O-N 2.76Å; I655-E657 VanDerWaalsContact C-N 3.34Å; I655-E657 PolarHBondContact O-N 3.04Å; I655-K658 WeakPolarHBondContact O-CB 3.46Å; I655-K658 PolarHBondContact O-N 3.24Å; I655-F659 HydrophobicContact CG2-CD2 4.08Å; I655-F659 HydrophobicContact CG2-CE2 4.27Å; I655-F659 VanDerWaalsContact O-CD2 3.29Å; I655-F659 WeakPolarHBondContact O-CD2 3.21Å; I655-F659 PolarHBondContact O-N 2.98Å
656	L	89.9	Confident	90.8	Very high	23 Å²	23	69.5 Å²	69.5	12%	0.12	39%	0.386	C	S	.	.	H	α-helix	trans	-66.4	-35.3	-178.8	-68.4	178.2	0	0	0	112.1	L562 V618 I652 G653 F659 K660	L562-L656 HydrophobicContact CB-CD1 4.46Å; L562-L656 HydrophobicContact CB-CD2 3.9Å; V618-L656 HydrophobicContact CG1-CD2 4.43Å; I652-L656 HydrophobicContact CG1-CD1 4.17Å; I652-L656 HydrophobicContact CG1-CG 4.24Å; I652-L656 HydrophobicContact CG2-CD1 4.41Å; I652-L656 WeakPolarHBondContact O-CG 3.47Å; I652-L656 PolarHBondContact O-N 3.48Å; G653-L656 PolarHBondContact O-N 3.29Å; L656-F659 CarbonylContact O-C 3.52Å; L656-F659 PolarHBondContact O-N 3.4Å; L656-K660 WeakPolarHBondContact O-CA 3.34Å; L656-K660 WeakPolarHBondContact O-CB 3.49Å; L656-K660 PolarHBondContact O-N 3.4Å
657	E	91.5	Very high	91.4	Very high	116 Å²	116	65.8 Å²	65.8	54%	0.542	37%	0.37	S	S	.	.	H	α-helix	trans	-67.1	-38.7	175.6	-164.6	63.9	-153.9	0	0	111.3	G653 I655 F659 K660	G653-E657 WeakPolarHBondContact O-CB 3.5Å; G653-E657 PolarHBondContact O-N 2.96Å; I655-E657 VanDerWaalsContact C-N 3.34Å; I655-E657 PolarHBondContact O-N 3.04Å; E657-F659 VanDerWaalsContact C-N 3.29Å; E657-F659 PolarHBondContact O-N 3.48Å; E657-K660 VanDerWaalsContact CD-NZ 3.28Å; E657-K660 WeakPolarHBondContact O-CB 3.22Å; E657-K660 PolarHBondContact O-N 2.89Å; E657-K660 WeakPolarHBondContact OE1-CD 3.35Å; E657-K660 IonicContact OE1-NZ 3.24Å; E657-K660 PolarHBondContact OE1-NZ 3.24Å; E657-K660 WeakPolarHBondContact OE2-CD 3.16Å; E657-K660 IonicContact OE2-NZ 2.77Å; E657-K660 PolarHBondContact OE2-NZ 3.39Å
658	K	92.6	Very high	91.6	Very high	151 Å²	151	64.3 Å²	64.3	66%	0.657	37%	0.365	S	S	*	.	H	α-helix	trans	-60.4	-36.4	175.2	179.8	-178.8	175.6	-173.8	0	113	D654 I655	D654-K658 WeakPolarHBondContact O-CB 3.18Å; D654-K658 PolarHBondContact O-N 2.92Å; D654-K658 VanDerWaalsContact O-N 3.12Å; I655-K658 WeakPolarHBondContact O-CB 3.46Å; I655-K658 PolarHBondContact O-N 3.24Å
659	F	92.9	Very high	91.9	Very high	32 Å²	32	64.9 Å²	64.9	14%	0.14	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	19.8	-175.5	-66.3	-75.7	0	0	0	113.4	Q563 E617 V618 T621 I655 L656 E657	Q563-F659 PolarHBondContact NE2-O 3.16Å; E617-F659 HydrophobicContact CB-CE1 3.86Å; E617-F659 HydrophobicContact CB-CZ 4.02Å; V618-F659 HydrophobicContact CG2-CB 3.59Å; V618-F659 HydrophobicContact CG2-CD1 4.36Å; V618-F659 HydrophobicContact CG2-CD2 3.78Å; V618-F659 HydrophobicContact CG2-CG 3.68Å; T621-F659 HydrophobicContact CG2-CE2 4.33Å; T621-F659 WeakPolarHBondContact OG1-CE2 3.4Å; I655-F659 HydrophobicContact CG2-CD2 4.08Å; I655-F659 HydrophobicContact CG2-CE2 4.27Å; I655-F659 VanDerWaalsContact O-CD2 3.29Å; I655-F659 WeakPolarHBondContact O-CD2 3.21Å; I655-F659 PolarHBondContact O-N 2.98Å; L656-F659 CarbonylContact O-C 3.52Å; L656-F659 PolarHBondContact O-N 3.4Å; E657-F659 VanDerWaalsContact C-N 3.29Å; E657-F659 PolarHBondContact O-N 3.48Å
660	K	93.5	Very high	92.1	Very high	109 Å²	109	68.4 Å²	68.4	47%	0.474	39%	0.39	S	S	.	.			trans	-66.7	140.7	-174.7	-168.8	172.5	-175.3	171	0	112	Q563 L656 E657	Q563-K660 CarbonylContact O-C 3.6Å; Q563-K660 WeakPolarHBondContact O-CA 3.32Å; L656-K660 WeakPolarHBondContact O-CA 3.34Å; L656-K660 WeakPolarHBondContact O-CB 3.49Å; L656-K660 PolarHBondContact O-N 3.4Å; E657-K660 VanDerWaalsContact CD-NZ 3.28Å; E657-K660 WeakPolarHBondContact O-CB 3.22Å; E657-K660 PolarHBondContact O-N 2.89Å; E657-K660 WeakPolarHBondContact OE1-CD 3.35Å; E657-K660 IonicContact OE1-NZ 3.24Å; E657-K660 PolarHBondContact OE1-NZ 3.24Å; E657-K660 WeakPolarHBondContact OE2-CD 3.16Å; E657-K660 IonicContact OE2-NZ 2.77Å; E657-K660 PolarHBondContact OE2-NZ 3.39Å
661	I	93.9	Very high	92.5	Very high	66 Å²	66	66.6 Å²	66.6	34%	0.338	38%	0.379	S	S	.	.			trans	-126.1	153.7	174.6	63.9	175.6	0	0	0	110.1	R560 Q563 E564 P663	R560-I661 HydrophobicContact CG-CD1 4.01Å; Q563-I661 HydrophobicContact CB-CD1 4.22Å; Q563-I661 HydrophobicContact CB-CG1 3.9Å; Q563-I661 PolarHBondContact O-N 2.83Å; E564-I661 HydrophobicContact CG-CD1 3.81Å; E564-I661 HydrophobicContact CG-CG1 3.73Å; I661-P663 WeakPolarHBondContact O-CD 3.49Å
662	T	92.4	Very high	92.8	Very high	135 Å²	135	63.3 Å²	63.3	83%	0.828	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-78.8	122.5	178	-52.4	0	0	0	0	110.1
663	P	92.3	Very high	93.2	Very high	53 Å²	53	63.2 Å²	63.2	34%	0.344	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-64.4	140	174.5	22.5	-30	0	0	0	111.2	E564 I661 S668	E564-P663 HydrophobicContact CB-CB 4.1Å; E564-P663 HydrophobicContact CG-CB 4.23Å; I661-P663 WeakPolarHBondContact O-CD 3.49Å; P663-S668 VanDerWaalsContact CB-OG 3.3Å; P663-S668 WeakPolarHBondContact CB-OG 3.31Å
664	N	93.1	Very high	93.7	Very high	63 Å²	63	63 Å²	63	34%	0.337	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-82.4	118.3	172.1	-173.3	-43.6	0	0	0	109.8	A666 V667 S668 V739	N664-A666 PolarHBondContact O-N 3.19Å; N664-A666 WeakPolarHBondContact OD1-CB 3.3Å; N664-A666 PolarHBondContact OD1-N 2.86Å; N664-V667 HydrophobicContact CB-CG2 4.14Å; N664-V667 PolarHBondContact O-N 3.14Å; N664-V667 VanDerWaalsContact O-N 3.09Å; N664-S668 VanDerWaalsContact C-OG 3.31Å; N664-S668 WeakPolarHBondContact O-CB 3.47Å; N664-S668 PolarHBondContact O-N 3.47Å; N664-S668 PolarHBondContact O-OG 3.43Å; N664-V739 HydrophobicContact CB-CG1 3.67Å; N664-V739 WeakPolarHBondContact ND2-CG1 3.46Å
665	P	92.1	Very high	94.2	Very high	120 Å²	120	58.8 Å²	58.8	78%	0.779	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-59.8	-23.8	-173.1	24	-34.4	0	0	0	113.9	V667	P665-V667 PolarHBondContact O-N 3.04Å
666	A	93.2	Very high	94.6	Very high	54 Å²	54	58.3 Å²	58.3	45%	0.446	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-65	-24	178.9	0	0	0	0	0	113.8	N664 K735	N664-A666 PolarHBondContact O-N 3.19Å; N664-A666 WeakPolarHBondContact OD1-CB 3.3Å; N664-A666 PolarHBondContact OD1-N 2.86Å; A666-K735 WeakPolarHBondContact O-CE 3.39Å; A666-K735 PolarHBondContact O-NZ 3.07Å
667	V	94.6	Very high	94.9	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-136.8	24.6	-171.1	-64.7	0	0	0	0	112.9	N664 P665 D672 R676 K735 F736 V739 Y740	N664-V667 HydrophobicContact CB-CG2 4.14Å; N664-V667 PolarHBondContact O-N 3.14Å; N664-V667 VanDerWaalsContact O-N 3.09Å; P665-V667 PolarHBondContact O-N 3.04Å; V667-D672 WeakPolarHBondContact O-CB 3.04Å; V667-R676 PolarHBondContact O-NH1 3.46Å; V667-K735 HydrophobicContact CG1-CD 4.45Å; V667-K735 HydrophobicContact CG1-CG 4.15Å; V667-F736 HydrophobicContact CB-CD1 4.05Å; V667-F736 HydrophobicContact CB-CE1 4.36Å; V667-F736 HydrophobicContact CG1-CD1 3.69Å; V667-F736 HydrophobicContact CG1-CE1 4.17Å; V667-V739 HydrophobicContact CG1-CG2 3.96Å; V667-V739 HydrophobicContact CG2-CB 4.12Å; V667-V739 HydrophobicContact CG2-CG1 3.83Å; V667-V739 HydrophobicContact CG2-CG2 4.09Å; V667-Y740 HydrophobicContact CB-CE2 4.34Å; V667-Y740 HydrophobicContact CG2-CD2 4.21Å; V667-Y740 HydrophobicContact CG2-CE2 3.38Å
668	S	94.5	Very high	95.2	Very high	36 Å²	36	51.8 Å²	51.8	25%	0.252	29%	0.292	S	S	.	.			trans	-111.4	8.4	-175.5	-63.9	0	0	0	0	114.4	P663 N664	P663-S668 VanDerWaalsContact CB-OG 3.3Å; P663-S668 WeakPolarHBondContact CB-OG 3.31Å; N664-S668 VanDerWaalsContact C-OG 3.31Å; N664-S668 WeakPolarHBondContact O-CB 3.47Å; N664-S668 PolarHBondContact O-N 3.47Å; N664-S668 PolarHBondContact O-OG 3.43Å
669	S	97.2	Very high	95.5	Very high	54 Å²	54	44.6 Å²	44.6	38%	0.378	26%	0.261	S	S	.	.	S	Bend	trans	-66.2	153.1	171.8	73.7	0	0	0	0	110.7	S671 D672 V673	S669-S671 PolarHBondContact O-N 2.89Å; S669-S671 VanDerWaalsContact O-N 3.15Å; S669-D672 PolarHBondContact O-N 3.49Å; S669-D672 WeakPolarHBondContact OG-CB 3.45Å; S669-D672 PolarHBondContact OG-N 3.15Å; S669-D672 PolarHBondContact OG-OD2 3.41Å; S669-V673 PolarHBondContact O-N 3.02Å
670	D	96.9	Very high	95.7	Very high	77 Å²	77	43.3 Å²	43.3	41%	0.412	26%	0.255	S	S	.	.	H	α-helix	trans	-54.6	-35.6	177.6	-79.4	17.1	0	0	0	112.1	K570 L574 Q674	K570-D670 WeakPolarHBondContact CE-OD1 3.44Å; K570-D670 WeakPolarHBondContact CE-OD2 3.09Å; K570-D670 IonicContact NZ-OD1 3.12Å; K570-D670 PolarHBondContact NZ-OD1 3.34Å; K570-D670 IonicContact NZ-OD2 2.87Å; L574-D670 HydrophobicContact CD2-CB 3.6Å; D670-Q674 WeakPolarHBondContact O-CG 3.44Å; D670-Q674 PolarHBondContact O-N 3.42Å
671	S	96.6	Very high	95.9	Very high	51 Å²	51	38.1 Å²	38.1	36%	0.357	23%	0.233	S	C	.	.	H	α-helix	trans	-70.6	-44.5	174	-172.9	0	0	0	0	112.2	S669 V673 Q674 Y675	S669-S671 PolarHBondContact O-N 2.89Å; S669-S671 VanDerWaalsContact O-N 3.15Å; S671-V673 VanDerWaalsContact C-N 3.28Å; S671-V673 PolarHBondContact O-N 2.94Å; S671-Q674 WeakPolarHBondContact O-CB 3.43Å; S671-Q674 PolarHBondContact O-N 3.42Å; S671-Y675 VanDerWaalsContact O-CD2 3.23Å; S671-Y675 WeakPolarHBondContact O-CD2 3.14Å; S671-Y675 PolarHBondContact O-N 2.94Å; S671-Y675 WeakPolarHBondContact OG-CE2 3.38Å
672	D	97.3	Very high	96.1	Very high	14 Å²	14	35 Å²	35	8%	0.075	22%	0.216	C	C	.	.	H	α-helix	trans	-60	-40.3	177	-70.3	-45.6	0	0	0	111	V667 S669 Q674 Y675 R676 K735 F736	V667-D672 WeakPolarHBondContact O-CB 3.04Å; S669-D672 PolarHBondContact O-N 3.49Å; S669-D672 WeakPolarHBondContact OG-CB 3.45Å; S669-D672 PolarHBondContact OG-N 3.15Å; S669-D672 PolarHBondContact OG-OD2 3.41Å; D672-Q674 PolarHBondContact O-N 3.27Å; D672-Y675 CarbonylContact O-C 3.28Å; D672-Y675 PolarHBondContact O-N 2.93Å; D672-R676 WeakPolarHBondContact O-CB 3.27Å; D672-R676 VanDerWaalsContact O-CG 3.22Å; D672-R676 WeakPolarHBondContact O-CG 3.28Å; D672-R676 PolarHBondContact O-N 3.47Å; D672-K735 VanDerWaalsContact CG-NZ 3.29Å; D672-K735 IonicContact OD1-NZ 2.99Å; D672-K735 PolarHBondContact OD1-NZ 2.72Å; D672-K735 IonicContact OD2-NZ 2.83Å; D672-K735 PolarHBondContact OD2-NZ 3.17Å; D672-F736 HydrophobicContact CB-CE1 3.94Å; D672-F736 HydrophobicContact CB-CZ 4.36Å
673	V	97.5	Very high	96.4	Very high	4 Å²	4	29 Å²	29	2%	0.024	18%	0.18	C	C	.	.	H	α-helix	trans	-57.9	-48.1	174.5	170.9	0	0	0	0	111.2	V561 L574 S669 S671 Y675 R676 L677	V561-V673 HydrophobicContact CG1-CG1 3.8Å; V561-V673 HydrophobicContact CG2-CG1 3.99Å; L574-V673 HydrophobicContact CD1-CB 4.21Å; L574-V673 HydrophobicContact CD1-CG1 3.8Å; S669-V673 PolarHBondContact O-N 3.02Å; S671-V673 VanDerWaalsContact C-N 3.28Å; S671-V673 PolarHBondContact O-N 2.94Å; V673-Y675 PolarHBondContact O-N 3.22Å; V673-R676 PolarHBondContact O-N 3.05Å; V673-L677 HydrophobicContact CG1-CD1 4.14Å; V673-L677 WeakPolarHBondContact O-CD1 3.48Å; V673-L677 PolarHBondContact O-N 2.89Å
674	Q	97.9	Very high	96.7	Very high	32 Å²	32	26.7 Å²	26.7	15%	0.15	16%	0.164	C	C	.	.	H	α-helix	trans	-58	-48.1	176.3	-70.7	173.6	-32.1	0	0	111.7	L574 S577 F578 D670 S671 D672 L677 V678	L574-Q674 HydrophobicContact CB-CG 4.13Å; L574-Q674 PolarHBondContact O-NE2 2.99Å; S577-Q674 PolarHBondContact OG-NE2 3.29Å; F578-Q674 HydrophobicContact CB-CG 4.41Å; F578-Q674 HydrophobicContact CD2-CB 3.98Å; F578-Q674 HydrophobicContact CD2-CG 4.3Å; D670-Q674 WeakPolarHBondContact O-CG 3.44Å; D670-Q674 PolarHBondContact O-N 3.42Å; S671-Q674 WeakPolarHBondContact O-CB 3.43Å; S671-Q674 PolarHBondContact O-N 3.42Å; D672-Q674 PolarHBondContact O-N 3.27Å; Q674-L677 PolarHBondContact O-N 2.88Å; Q674-V678 VanDerWaalsContact O-CG2 3.28Å; Q674-V678 WeakPolarHBondContact O-CG2 3.4Å; Q674-V678 PolarHBondContact O-N 2.76Å
675	Y	97.9	Very high	97	Very high	35 Å²	35	23.7 Å²	23.7	14%	0.137	15%	0.148	C	C	.	.	H	α-helix	trans	-72.2	-27.1	-178.6	-76.6	-73.6	0	0	0	113.3	F578 S671 D672 V673 S679 F720 F724 K732	F578-Y675 HydrophobicContact CE2-CE1 4.41Å; S671-Y675 VanDerWaalsContact O-CD2 3.23Å; S671-Y675 WeakPolarHBondContact O-CD2 3.14Å; S671-Y675 PolarHBondContact O-N 2.94Å; S671-Y675 WeakPolarHBondContact OG-CE2 3.38Å; D672-Y675 CarbonylContact O-C 3.28Å; D672-Y675 PolarHBondContact O-N 2.93Å; V673-Y675 PolarHBondContact O-N 3.22Å; Y675-S679 WeakPolarHBondContact O-CB 3.47Å; Y675-S679 PolarHBondContact O-N 2.64Å; Y675-S679 PolarHBondContact O-OG 3.48Å; Y675-F720 HydrophobicContact CE1-CZ 4.19Å; Y675-F724 HydrophobicContact CD1-CZ 4.45Å; Y675-F724 HydrophobicContact CE1-CE1 4.17Å; Y675-F724 AromaticContact CE1-CE2 3.83Å; Y675-F724 HydrophobicContact CE1-CE2 3.83Å; Y675-F724 AromaticContact CE1-CZ 3.59Å; Y675-F724 HydrophobicContact CE1-CZ 3.59Å; Y675-F724 AromaticContact CZ-CE2 3.86Å; Y675-F724 AromaticContact CZ-CZ 3.89Å; Y675-F724 VanDerWaalsContact OH-CE2 3.28Å; Y675-F724 WeakPolarHBondContact OH-CE2 3.45Å; Y675-K732 HydrophobicContact CD1-CD 3.66Å; Y675-K732 HydrophobicContact CD2-CD 4.02Å; Y675-K732 HydrophobicContact CE1-CD 4.1Å; Y675-K732 HydrophobicContact CE2-CD 4.45Å; Y675-K732 HydrophobicContact CG-CD 3.64Å
676	R	97.9	Very high	97.3	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-59.9	-47.9	170.8	-79.1	165.2	60.4	-177.4	1.7	110.5	E557 E564 V667 D672 V673 S679 R680 F736 Y740 F744	E557-R676 HydrophobicContact CG-CB 4.04Å; E557-R676 IonicContact OE1-CZ 2.62Å; E557-R676 IonicContact OE1-NE 2.88Å; E557-R676 PolarHBondContact OE1-NE 3.09Å; E557-R676 IonicContact OE1-NH2 2.81Å; E557-R676 PolarHBondContact OE1-NH2 2.96Å; E564-R676 IonicContact OE1-CZ 3.7Å; E564-R676 IonicContact OE1-NH1 2.77Å; E564-R676 PolarHBondContact OE1-NH1 3.34Å; E564-R676 IonicContact OE1-NH2 3Å; E564-R676 PolarHBondContact OE1-NH2 2.89Å; E564-R676 IonicContact OE2-CZ 2.71Å; E564-R676 IonicContact OE2-NH1 3.82Å; E564-R676 PolarHBondContact OE2-NH1 2.92Å; E564-R676 IonicContact OE2-NH2 3.83Å; E564-R676 PolarHBondContact OE2-NH2 2.96Å; V667-R676 PolarHBondContact O-NH1 3.46Å; D672-R676 WeakPolarHBondContact O-CB 3.27Å; D672-R676 VanDerWaalsContact O-CG 3.22Å; D672-R676 WeakPolarHBondContact O-CG 3.28Å; D672-R676 PolarHBondContact O-N 3.47Å; V673-R676 PolarHBondContact O-N 3.05Å; R676-S679 PolarHBondContact O-OG 3.01Å; R676-R680 WeakPolarHBondContact O-CG 3.37Å; R676-F736 HydrophobicContact CG-CD1 3.86Å; R676-F736 HydrophobicContact CG-CD2 4.02Å; R676-F736 HydrophobicContact CG-CE1 3.94Å; R676-F736 HydrophobicContact CG-CE2 4.09Å; R676-F736 HydrophobicContact CG-CG 3.92Å; R676-F736 HydrophobicContact CG-CZ 4.06Å; R676-Y740 VanDerWaalsContact CZ-CE2 3.5Å; R676-Y740 PolarHBondContact NH1-OH 2.91Å; R676-Y740 PolarHBondContact NH2-OH 3.27Å; R676-F744 HydrophobicContact CB-CE1 4.08Å; R676-F744 HydrophobicContact CB-CZ 4.33Å; R676-F744 HydrophobicContact CG-CE1 4.1Å; R676-F744 HydrophobicContact CG-CZ 4.19Å
677	L	97.6	Very high	97.5	Very high	1 Å²	1	16 Å²	16	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-64.6	-50.5	177.1	-83.6	80.8	0	0	0	111.6	M554 E557 A558 V561 L571 T575 A584 V673 Q674 F681	M554-L677 HydrophobicContact CG-CB 3.93Å; M554-L677 HydrophobicContact CG-CD2 4.11Å; M554-L677 HydrophobicContact CG-CG 4.15Å; E557-L677 HydrophobicContact CB-CG 4.38Å; E557-L677 HydrophobicContact CG-CD1 4.08Å; E557-L677 HydrophobicContact CG-CG 4.39Å; A558-L677 HydrophobicContact CB-CD2 4.33Å; V561-L677 HydrophobicContact CG2-CD1 4.13Å; L571-L677 HydrophobicContact CD1-CD2 4.33Å; T575-L677 HydrophobicContact CG2-CD2 3.71Å; A584-L677 HydrophobicContact CB-CD2 4.12Å; V673-L677 HydrophobicContact CG1-CD1 4.14Å; V673-L677 WeakPolarHBondContact O-CD1 3.48Å; V673-L677 PolarHBondContact O-N 2.89Å; Q674-L677 PolarHBondContact O-N 2.88Å; L677-F681 PolarHBondContact O-N 2.78Å
678	V	97.8	Very high	97.7	Very high	1 Å²	1	16 Å²	16	1%	0.006	9%	0.093	C	C	.	.	H	α-helix	trans	-68.9	-42.6	-173.5	173.2	0	0	0	0	111.9	F578 F580 Q674 R680 F681 V682 F710 F720	F578-V678 HydrophobicContact CD1-CG2 3.84Å; F578-V678 HydrophobicContact CE1-CB 4.39Å; F578-V678 HydrophobicContact CE1-CG1 4.17Å; F578-V678 HydrophobicContact CE1-CG2 3.41Å; F578-V678 VanDerWaalsContact CE1-CG2 3.41Å; F578-V678 HydrophobicContact CE2-CG2 4.37Å; F578-V678 HydrophobicContact CG-CG2 4.49Å; F578-V678 HydrophobicContact CZ-CB 4.37Å; F578-V678 HydrophobicContact CZ-CG1 4.13Å; F578-V678 HydrophobicContact CZ-CG2 3.72Å; F580-V678 HydrophobicContact CE2-CG2 3.91Å; F580-V678 HydrophobicContact CZ-CG2 4.29Å; Q674-V678 VanDerWaalsContact O-CG2 3.28Å; Q674-V678 WeakPolarHBondContact O-CG2 3.4Å; Q674-V678 PolarHBondContact O-N 2.76Å; V678-R680 PolarHBondContact O-N 3.45Å; V678-F681 WeakPolarHBondContact O-CB 3.35Å; V678-F681 PolarHBondContact O-N 3.37Å; V678-V682 HydrophobicContact CG1-CG2 3.92Å; V678-V682 WeakPolarHBondContact O-CB 3.36Å; V678-V682 VanDerWaalsContact O-CG2 3.24Å; V678-V682 WeakPolarHBondContact O-CG2 3.42Å; V678-V682 PolarHBondContact O-N 3.21Å; V678-F710 HydrophobicContact CG1-CE2 4.49Å; V678-F720 HydrophobicContact CG1-CD1 4.48Å; V678-F720 HydrophobicContact CG1-CE1 3.95Å; V678-F720 HydrophobicContact CG1-CZ 4.28Å
679	S	97.9	Very high	97.8	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-64.1	-39.3	-177.2	61.1	0	0	0	0	112.5	Y675 R676 V682 N683	Y675-S679 WeakPolarHBondContact O-CB 3.47Å; Y675-S679 PolarHBondContact O-N 2.64Å; Y675-S679 PolarHBondContact O-OG 3.48Å; R676-S679 PolarHBondContact O-OG 3.01Å; S679-V682 PolarHBondContact O-N 3.3Å; S679-N683 WeakPolarHBondContact O-CB 3.44Å; S679-N683 PolarHBondContact O-N 3.39Å
680	R	97.6	Very high	97.8	Very high	4 Å²	4	17.5 Å²	17.5	2%	0.015	9%	0.091	C	C	.	.	H	α-helix	trans	-64	-42.5	175.7	-67.3	-171.4	72.2	-175.5	-3	112.1	P553 E557 R610 G612 R676 V678 E684 Q743 F744	P553-R680 HydrophobicContact CB-CB 3.96Å; E557-R680 IonicContact OE2-CZ 2.91Å; E557-R680 IonicContact OE2-NH1 2.99Å; E557-R680 PolarHBondContact OE2-NH1 3.16Å; R610-R680 PolarHBondContact O-NH2 3.48Å; G612-R680 PolarHBondContact O-NH1 3.45Å; G612-R680 PolarHBondContact O-NH2 3.44Å; R676-R680 WeakPolarHBondContact O-CG 3.37Å; V678-R680 PolarHBondContact O-N 3.45Å; R680-E684 PolarHBondContact O-N 3.19Å; R680-Q743 PolarHBondContact NE-O 3.18Å; R680-F744 HydrophobicContact CG-CD1 3.68Å; R680-F744 HydrophobicContact CG-CE1 3.5Å; R680-F744 VanDerWaalsContact CG-CE1 3.5Å; R680-F744 HydrophobicContact CG-CZ 4.27Å
681	F	98.3	Very high	97.8	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-60.8	-51.6	174.4	-177.3	-74.5	0	0	0	111.5	C550 M554 L677 V678 N683 E684 A685 A704 L708 F710 P717	C550-F681 HydrophobicContact CB-CD2 4.29Å; C550-F681 HydrophobicContact CB-CE1 4.46Å; C550-F681 HydrophobicContact CB-CE2 4.12Å; C550-F681 HydrophobicContact CB-CZ 4.2Å; C550-F681 VanDerWaalsContact O-CD2 3.29Å; C550-F681 WeakPolarHBondContact O-CD2 3.42Å; M554-F681 HydrophobicContact CB-CB 4.45Å; M554-F681 HydrophobicContact SD-CD2 4.24Å; L677-F681 PolarHBondContact O-N 2.78Å; V678-F681 WeakPolarHBondContact O-CB 3.35Å; V678-F681 PolarHBondContact O-N 3.37Å; F681-N683 VanDerWaalsContact C-N 3.34Å; F681-N683 PolarHBondContact O-N 2.89Å; F681-E684 PolarHBondContact O-N 3.47Å; F681-A685 PolarHBondContact O-N 3.42Å; F681-A704 HydrophobicContact CE1-CB 3.96Å; F681-A704 HydrophobicContact CZ-CB 3.87Å; F681-L708 HydrophobicContact CE2-CB 4Å; F681-L708 HydrophobicContact CE2-CD1 3.51Å; F681-L708 HydrophobicContact CE2-CG 4.4Å; F681-L708 HydrophobicContact CZ-CB 4.08Å; F681-L708 HydrophobicContact CZ-CD1 3.51Å; F681-L708 HydrophobicContact CZ-CG 4.44Å; F681-F710 AromaticContact CD1-CD2 3.78Å; F681-F710 HydrophobicContact CD1-CD2 3.78Å; F681-F710 AromaticContact CD1-CE2 3.96Å; F681-F710 HydrophobicContact CD1-CE2 3.96Å; F681-F710 AromaticContact CE1-CD2 3.51Å; F681-F710 HydrophobicContact CE1-CD2 3.51Å; F681-F710 HydrophobicContact CE1-CE2 4.09Å; F681-F710 HydrophobicContact CE1-CG 4.34Å; F681-F710 HydrophobicContact CZ-CB 4.46Å; F681-F710 HydrophobicContact CZ-CD2 4.05Å; F681-P717 HydrophobicContact CD1-CB 4.39Å; F681-P717 HydrophobicContact CE1-CB 4.19Å; F681-P717 HydrophobicContact CE1-CG 4.11Å
682	V	98.6	Very high	97.7	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-65.2	-39.8	-175.8	173.2	0	0	0	0	110.8	V678 S679 A685 V686 F710 P717 F720 V721 L729	V678-V682 HydrophobicContact CG1-CG2 3.92Å; V678-V682 WeakPolarHBondContact O-CB 3.36Å; V678-V682 VanDerWaalsContact O-CG2 3.24Å; V678-V682 WeakPolarHBondContact O-CG2 3.42Å; V678-V682 PolarHBondContact O-N 3.21Å; S679-V682 PolarHBondContact O-N 3.3Å; V682-A685 WeakPolarHBondContact O-CB 3.46Å; V682-A685 PolarHBondContact O-N 3.16Å; V682-V686 HydrophobicContact CG1-CG2 4.49Å; V682-V686 WeakPolarHBondContact O-CG2 3.35Å; V682-V686 PolarHBondContact O-N 2.58Å; V682-F710 HydrophobicContact CG2-CE2 3.92Å; V682-F710 HydrophobicContact CG2-CZ 4.14Å; V682-P717 HydrophobicContact CB-CB 4.44Å; V682-P717 HydrophobicContact CG1-CB 4.38Å; V682-P717 HydrophobicContact CG2-CB 3.98Å; V682-F720 HydrophobicContact CG1-CD1 4.44Å; V682-F720 HydrophobicContact CG2-CD1 3.86Å; V682-F720 HydrophobicContact CG2-CE1 4.27Å; V682-V721 HydrophobicContact CG1-CG2 3.48Å; V682-V721 VanDerWaalsContact CG1-CG2 3.48Å; V682-L729 HydrophobicContact CB-CD2 4.3Å; V682-L729 HydrophobicContact CG1-CD2 3.62Å
683	N	98.4	Very high	97.7	Very high	10 Å²	10	18 Å²	18	5%	0.053	10%	0.097	C	C	.	.	H	α-helix	trans	-63.4	-45.4	177.7	-170.8	46.3	0	0	0	112.3	S679 F681 A685 V686 L687 M733 T745 C747	S679-N683 WeakPolarHBondContact O-CB 3.44Å; S679-N683 PolarHBondContact O-N 3.39Å; F681-N683 VanDerWaalsContact C-N 3.34Å; F681-N683 PolarHBondContact O-N 2.89Å; N683-A685 VanDerWaalsContact C-N 3.27Å; N683-A685 PolarHBondContact O-N 3.35Å; N683-V686 PolarHBondContact O-N 3.14Å; N683-L687 VanDerWaalsContact O-CB 3.28Å; N683-L687 WeakPolarHBondContact O-CB 3.37Å; N683-L687 PolarHBondContact O-N 3.4Å; N683-M733 HydrophobicContact CB-CE 3.55Å; N683-M733 HydrophobicContact CB-SD 4.27Å; N683-M733 VanDerWaalsContact CG-CE 3.44Å; N683-T745 PolarHBondContact ND2-O 3.1Å; N683-C747 PolarHBondContact OD1-N 3.31Å; N683-C747 PolarHBondContact OD1-SG 3.46Å
684	E	98	Very high	97.6	Very high	4 Å²	4	18 Å²	18	2%	0.019	10%	0.097	C	C	.	.	H	α-helix	trans	-64.8	-33.2	174.6	-80.9	-55.7	138.3	0	0	112.1	R549 P553 R610 F611 R680 F681 L687 C688	R549-E684 IonicContact CZ-OE2 2.79Å; R549-E684 IonicContact NE-OE2 2.65Å; R549-E684 PolarHBondContact NE-OE2 3.36Å; R549-E684 IonicContact NH2-OE2 3.5Å; R549-E684 PolarHBondContact NH2-OE2 2.92Å; R549-E684 VanDerWaalsContact NH2-OE2 3.12Å; P553-E684 HydrophobicContact CG-CG 3.79Å; R610-E684 VanDerWaalsContact CD-OE1 3.27Å; R610-E684 WeakPolarHBondContact CD-OE1 3.36Å; R610-E684 IonicContact CZ-OE1 3.28Å; R610-E684 IonicContact CZ-OE2 2.71Å; R610-E684 IonicContact NE-OE1 2.85Å; R610-E684 PolarHBondContact NE-OE1 2.97Å; R610-E684 VanDerWaalsContact NE-OE1 3.09Å; R610-E684 IonicContact NH1-OE1 3.13Å; R610-E684 IonicContact NH2-OE1 3.19Å; R610-E684 IonicContact NH2-OE2 2.83Å; F611-E684 HydrophobicContact CE2-CG 4.05Å; F611-E684 HydrophobicContact CZ-CG 4.13Å; R680-E684 PolarHBondContact O-N 3.19Å; F681-E684 PolarHBondContact O-N 3.47Å; E684-L687 PolarHBondContact O-N 3.11Å; E684-C688 PolarHBondContact O-N 3.11Å; E684-C688 PolarHBondContact O-SG 2.82Å
685	A	98.4	Very high	97.3	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-63.9	-47.7	174.8	0	0	0	0	0	111.8	Y546 C550 F681 V682 N683 L687 C688 L689 P717 F718	Y546-A685 HydrophobicContact CE2-CB 3.95Å; C550-A685 VanDerWaalsContact SG-CA 3.55Å; F681-A685 PolarHBondContact O-N 3.42Å; V682-A685 WeakPolarHBondContact O-CB 3.46Å; V682-A685 PolarHBondContact O-N 3.16Å; N683-A685 VanDerWaalsContact C-N 3.27Å; N683-A685 PolarHBondContact O-N 3.35Å; A685-L687 VanDerWaalsContact C-N 3.28Å; A685-L687 PolarHBondContact O-N 3.07Å; A685-C688 WeakPolarHBondContact O-CB 3.28Å; A685-C688 PolarHBondContact O-N 2.6Å; A685-L689 PolarHBondContact O-N 2.71Å; A685-P717 HydrophobicContact CB-CB 3.91Å; A685-P717 HydrophobicContact CB-CG 3.89Å; A685-F718 HydrophobicContact CB-CE2 4.26Å; A685-F718 HydrophobicContact CB-CZ 4.43Å; A685-F718 VanDerWaalsContact O-CZ 3.27Å; A685-F718 WeakPolarHBondContact O-CZ 3.3Å
686	V	98.5	Very high	97.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-63.3	-37.3	175.3	177.5	0	0	0	0	110.9	V682 N683 L689 Q690 F718 V721 L749 L750 F761	V682-V686 HydrophobicContact CG1-CG2 4.49Å; V682-V686 WeakPolarHBondContact O-CG2 3.35Å; V682-V686 PolarHBondContact O-N 2.58Å; N683-V686 PolarHBondContact O-N 3.14Å; V686-L689 WeakPolarHBondContact O-CB 3.11Å; V686-L689 PolarHBondContact O-N 3.13Å; V686-Q690 PolarHBondContact O-N 3.4Å; V686-F718 HydrophobicContact CG2-CD1 4.37Å; V686-F718 HydrophobicContact CG2-CE1 4.15Å; V686-V721 HydrophobicContact CG2-CG2 4.48Å; V686-L749 HydrophobicContact CG1-CB 3.9Å; V686-L749 HydrophobicContact CG1-CD2 3.87Å; V686-L749 HydrophobicContact CG1-CG 3.84Å; V686-L750 HydrophobicContact CG1-CB 4.14Å; V686-F761 HydrophobicContact CG1-CE1 4.48Å; V686-F761 HydrophobicContact CG1-CZ 3.82Å; V686-F761 HydrophobicContact CG2-CE2 4.18Å; V686-F761 HydrophobicContact CG2-CZ 3.95Å
687	L	97.9	Very high	97.1	Very high	13 Å²	13	22.1 Å²	22.1	7%	0.068	13%	0.127	C	C	.	.	H	α-helix	trans	-66.4	-37	176.2	-175.8	55.9	0	0	0	112.4	R610 N683 E684 A685 L689 Q690 E691 C747	R610-L687 VanDerWaalsContact NH1-CD2 3.26Å; N683-L687 VanDerWaalsContact O-CB 3.28Å; N683-L687 WeakPolarHBondContact O-CB 3.37Å; N683-L687 PolarHBondContact O-N 3.4Å; E684-L687 PolarHBondContact O-N 3.11Å; A685-L687 VanDerWaalsContact C-N 3.28Å; A685-L687 PolarHBondContact O-N 3.07Å; L687-L689 PolarHBondContact O-N 2.83Å; L687-Q690 HydrophobicContact CD1-CB 4.27Å; L687-Q690 WeakPolarHBondContact O-CB 3.33Å; L687-Q690 PolarHBondContact O-N 3.28Å; L687-Q690 VanDerWaalsContact O-N 3.12Å; L687-E691 HydrophobicContact CD1-CG 3.97Å; L687-E691 WeakPolarHBondContact CD1-OE1 3.06Å; L687-E691 HydrophobicContact CG-CG 4.32Å; L687-E691 VanDerWaalsContact CG-OE1 3.31Å; L687-E691 WeakPolarHBondContact CG-OE1 3.2Å; L687-E691 WeakPolarHBondContact O-CB 3.23Å; L687-E691 WeakPolarHBondContact O-CG 3.48Å; L687-E691 PolarHBondContact O-N 2.85Å; L687-C747 HydrophobicContact CB-CB 4.07Å; L687-C747 HydrophobicContact CD1-CB 3.91Å; L687-C747 HydrophobicContact CG-CB 4.41Å
688	C	98.3	Very high	97.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62	-32.9	172.9	-70.1	0	0	0	0	112.3	Y546 R549 E684 A685 G692 I693 L694	Y546-C688 HydrophobicContact CD2-CB 3.81Å; Y546-C688 HydrophobicContact CE2-CB 4.4Å; R549-C688 VanDerWaalsContact CD-SG 3.6Å; E684-C688 PolarHBondContact O-N 3.11Å; E684-C688 PolarHBondContact O-SG 2.82Å; A685-C688 WeakPolarHBondContact O-CB 3.28Å; A685-C688 PolarHBondContact O-N 2.6Å; C688-G692 PolarHBondContact O-N 2.88Å; C688-I693 HydrophobicContact CB-CB 4.21Å; C688-I693 HydrophobicContact CB-CG2 4.45Å; C688-I693 WeakPolarHBondContact O-CB 3.46Å; C688-I693 PolarHBondContact O-N 3.48Å; C688-L694 HydrophobicContact CB-CD1 4.16Å; C688-L694 HydrophobicContact CB-CG 4.18Å; C688-L694 PolarHBondContact O-N 3.19Å
689	L	98.1	Very high	97	Very high	35 Å²	35	25.1 Å²	25.1	18%	0.183	14%	0.142	C	C	.	.	H	α-helix	trans	-70.8	-43.5	171.4	-177.4	65.6	0	0	0	111.3	A685 V686 L687 E691 G692 L694 P697 F718 L749 F761	A685-L689 PolarHBondContact O-N 2.71Å; V686-L689 WeakPolarHBondContact O-CB 3.11Å; V686-L689 PolarHBondContact O-N 3.13Å; L687-L689 PolarHBondContact O-N 2.83Å; L689-E691 VanDerWaalsContact C-N 3.32Å; L689-E691 PolarHBondContact O-N 2.92Å; L689-G692 PolarHBondContact O-N 3.09Å; L689-G692 VanDerWaalsContact O-N 3.17Å; L689-L694 HydrophobicContact CB-CB 4.34Å; L689-L694 HydrophobicContact CD1-CB 4.15Å; L689-L694 WeakPolarHBondContact CD1-O 3.4Å; L689-P697 HydrophobicContact CD2-CB 4.37Å; L689-F718 HydrophobicContact CB-CE1 3.82Å; L689-F718 HydrophobicContact CB-CZ 3.89Å; L689-F718 HydrophobicContact CD2-CD1 4.15Å; L689-F718 HydrophobicContact CD2-CE1 3.48Å; L689-F718 VanDerWaalsContact CD2-CE1 3.48Å; L689-F718 HydrophobicContact CD2-CZ 4.22Å; L689-F718 HydrophobicContact CG-CE1 4.26Å; L689-L749 HydrophobicContact CB-CD2 4.33Å; L689-L749 HydrophobicContact CD2-CD2 4.09Å; L689-L749 HydrophobicContact CG-CD2 4.18Å; L689-F761 HydrophobicContact CD2-CD1 3.91Å; L689-F761 HydrophobicContact CD2-CE1 3.78Å
690	Q	97.6	Very high	96.9	Very high	86 Å²	86	25.1 Å²	25.1	40%	0.402	14%	0.142	S	C	.	.	H	α-helix	trans	-60.5	-39.9	177.6	-173.2	-169.6	-66.9	0	0	112.4	V686 L687 G692 Q748 L749	V686-Q690 PolarHBondContact O-N 3.4Å; L687-Q690 HydrophobicContact CD1-CB 4.27Å; L687-Q690 WeakPolarHBondContact O-CB 3.33Å; L687-Q690 PolarHBondContact O-N 3.28Å; L687-Q690 VanDerWaalsContact O-N 3.12Å; Q690-G692 VanDerWaalsContact C-N 3.26Å; Q690-G692 PolarHBondContact O-N 2.94Å; Q690-Q748 VanDerWaalsContact OE1-N 3.14Å; Q690-L749 HydrophobicContact CB-CB 3.96Å; Q690-L749 HydrophobicContact CB-CD2 4.03Å; Q690-L749 HydrophobicContact CG-CB 4.05Å
691	E	96.4	Very high	97	Very high	93 Å²	93	25.1 Å²	25.1	44%	0.435	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-2.1	179.9	-69	177.7	-162.6	0	0	113.3	R549 L687 L689 I693	R549-E691 IonicContact CZ-OE1 3.39Å; R549-E691 IonicContact CZ-OE2 3.91Å; R549-E691 VanDerWaalsContact CZ-OE2 3.29Å; R549-E691 IonicContact NH1-OE1 3.65Å; R549-E691 IonicContact NH1-OE2 2.89Å; R549-E691 PolarHBondContact NH1-OE2 2.86Å; R549-E691 VanDerWaalsContact NH2-CD 3.27Å; R549-E691 IonicContact NH2-OE1 3.88Å; R549-E691 PolarHBondContact NH2-OE1 3.38Å; R549-E691 IonicContact NH2-OE2 3.43Å; R549-E691 PolarHBondContact NH2-OE2 3.45Å; R549-E691 VanDerWaalsContact NH2-OE2 3.1Å; L687-E691 HydrophobicContact CD1-CG 3.97Å; L687-E691 WeakPolarHBondContact CD1-OE1 3.06Å; L687-E691 HydrophobicContact CG-CG 4.32Å; L687-E691 VanDerWaalsContact CG-OE1 3.31Å; L687-E691 WeakPolarHBondContact CG-OE1 3.2Å; L687-E691 WeakPolarHBondContact O-CB 3.23Å; L687-E691 WeakPolarHBondContact O-CG 3.48Å; L687-E691 PolarHBondContact O-N 2.85Å; L689-E691 VanDerWaalsContact C-N 3.32Å; L689-E691 PolarHBondContact O-N 2.92Å; E691-I693 VanDerWaalsContact C-N 3.29Å; E691-I693 PolarHBondContact O-N 3.48Å
692	G	94.9	Very high	97	Very high	46 Å²	46	25.2 Å²	25.2	47%	0.474	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	13.1	179.6	0	0	0	0	0	114.8	C688 L689 Q690	C688-G692 PolarHBondContact O-N 2.88Å; L689-G692 PolarHBondContact O-N 3.09Å; L689-G692 VanDerWaalsContact O-N 3.17Å; Q690-G692 VanDerWaalsContact C-N 3.26Å; Q690-G692 PolarHBondContact O-N 2.94Å
693	I	96	Very high	96.9	Very high	13 Å²	13	25.2 Å²	25.2	7%	0.067	14%	0.143	C	C	.	.	S	Bend	trans	-67.1	-44.9	169.6	-66.5	177.4	0	0	0	109.4	V539 G540 C688 E691	V539-I693 CarbonylContact C-O 3.53Å; V539-I693 VanDerWaalsContact CA-O 3.24Å; V539-I693 WeakPolarHBondContact CA-O 2.74Å; V539-I693 HydrophobicContact CB-CG2 4.18Å; V539-I693 WeakPolarHBondContact CB-O 3.48Å; G540-I693 PolarHBondContact N-O 3.02Å; C688-I693 HydrophobicContact CB-CB 4.21Å; C688-I693 HydrophobicContact CB-CG2 4.45Å; C688-I693 WeakPolarHBondContact O-CB 3.46Å; C688-I693 PolarHBondContact O-N 3.48Å; E691-I693 VanDerWaalsContact C-N 3.29Å; E691-I693 PolarHBondContact O-N 3.48Å
694	L	96.8	Very high	96.9	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.021	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-88.6	132.4	170.7	-77.9	174.7	0	0	0	110.4	V539 Y546 C688 L689 F718	V539-L694 HydrophobicContact CG1-CD2 4.09Å; Y546-L694 HydrophobicContact CD1-CD2 3.9Å; Y546-L694 HydrophobicContact CD2-CD1 3.58Å; Y546-L694 HydrophobicContact CD2-CD2 3.97Å; Y546-L694 HydrophobicContact CD2-CG 3.72Å; Y546-L694 HydrophobicContact CE1-CD2 4.25Å; Y546-L694 HydrophobicContact CE2-CD1 3.41Å; Y546-L694 VanDerWaalsContact CE2-CD1 3.41Å; Y546-L694 HydrophobicContact CE2-CD2 4.33Å; Y546-L694 HydrophobicContact CE2-CG 4.07Å; Y546-L694 HydrophobicContact CG-CD1 4.24Å; Y546-L694 HydrophobicContact CG-CD2 3.75Å; Y546-L694 HydrophobicContact CG-CG 3.99Å; C688-L694 HydrophobicContact CB-CD1 4.16Å; C688-L694 HydrophobicContact CB-CG 4.18Å; C688-L694 PolarHBondContact O-N 3.19Å; L689-L694 HydrophobicContact CB-CB 4.34Å; L689-L694 HydrophobicContact CD1-CB 4.15Å; L689-L694 WeakPolarHBondContact CD1-O 3.4Å; L694-F718 HydrophobicContact CD1-CE2 3.72Å; L694-F718 HydrophobicContact CD1-CZ 3.62Å
695	N	91.4	Very high	96.8	Very high	97 Å²	97	25.3 Å²	25.3	52%	0.519	14%	0.144	S	C	.	.	S	Bend	trans	-78.2	-25.5	174.2	-68.9	-63.2	0	0	0	112.8	R353 V538	R353-N695 PolarHBondContact NH2-ND2 2.64Å; V538-N695 PolarHBondContact O-ND2 3.39Å
696	S	95.2	Very high	96.6	Very high	30 Å²	30	27.7 Å²	27.7	21%	0.21	15%	0.154	C	C	.	.			trans	-156.5	151.7	-178	67	0	0	0	0	111.8	L698 E699 G700	S696-L698 PolarHBondContact O-N 2.76Å; S696-E699 PolarHBondContact O-N 3.09Å; S696-E699 PolarHBondContact OG-N 3.04Å; S696-G700 PolarHBondContact O-N 3.48Å
697	P	96.6	Very high	96.3	Very high	28 Å²	28	28.2 Å²	28.2	18%	0.182	16%	0.16	C	C	.	.	H	α-helix	trans	-61.9	-31.8	174	24.7	-34	0	0	0	112.2	L689 G700 D701 F718 F761	L689-P697 HydrophobicContact CD2-CB 4.37Å; P697-G700 PolarHBondContact O-N 3.42Å; P697-D701 PolarHBondContact O-N 3.01Å; P697-F718 HydrophobicContact CB-CB 3.83Å; P697-F718 HydrophobicContact CB-CD1 3.64Å; P697-F718 HydrophobicContact CB-CD2 4.14Å; P697-F718 HydrophobicContact CB-CE1 4.21Å; P697-F718 HydrophobicContact CB-CG 3.59Å; P697-F718 WeakPolarHBondContact O-CD2 3.4Å; P697-F761 HydrophobicContact CB-CB 3.96Å; P697-F761 HydrophobicContact CB-CD1 4.32Å; P697-F761 HydrophobicContact CB-CG 4.44Å; P697-F761 HydrophobicContact CG-CB 4.26Å
698	L	95.6	Very high	96	Very high	56 Å²	56	28.5 Å²	28.5	29%	0.293	16%	0.162	S	C	.	.	H	α-helix	trans	-60.8	-46.8	177.3	178.5	157	0	0	0	112	A348 S696 G700 D701 I702	A348-L698 HydrophobicContact CB-CD2 4.34Å; S696-L698 PolarHBondContact O-N 2.76Å; L698-G700 VanDerWaalsContact C-N 3.29Å; L698-G700 PolarHBondContact O-N 2.6Å; L698-D701 PolarHBondContact O-N 3.35Å; L698-I702 HydrophobicContact CD2-CG1 4.39Å; L698-I702 VanDerWaalsContact O-CG1 3.27Å; L698-I702 WeakPolarHBondContact O-CG1 3.48Å; L698-I702 PolarHBondContact O-N 3.27Å; L698-I702 VanDerWaalsContact O-N 3.07Å
699	E	95.7	Very high	95.8	Very high	8 Å²	8	29.3 Å²	29.3	4%	0.037	17%	0.17	C	C	.	.	H	α-helix	trans	-66.1	-35.4	176	-74.7	-175.9	134.7	0	0	111.9	R353 I537 V538 S696 I702 G703	R353-E699 VanDerWaalsContact CZ-CD 3.48Å; R353-E699 IonicContact CZ-OE1 3.71Å; R353-E699 IonicContact CZ-OE2 2.66Å; R353-E699 VanDerWaalsContact CZ-OE2 3.29Å; R353-E699 IonicContact NE-OE1 2.83Å; R353-E699 IonicContact NH1-OE1 3.41Å; R353-E699 PolarHBondContact NH1-OE1 2.99Å; R353-E699 IonicContact NH1-OE2 2.82Å; R353-E699 PolarHBondContact NH1-OE2 3.12Å; R353-E699 IonicContact NH2-OE1 3.85Å; R353-E699 PolarHBondContact NH2-OE1 3.31Å; R353-E699 IonicContact NH2-OE2 3.38Å; R353-E699 PolarHBondContact NH2-OE2 2.88Å; I537-E699 HydrophobicContact CB-CB 4.36Å; I537-E699 HydrophobicContact CG2-CB 4.18Å; I537-E699 WeakPolarHBondContact CG2-O 3.43Å; V538-E699 PolarHBondContact N-OE1 3.39Å; S696-E699 PolarHBondContact O-N 3.09Å; S696-E699 PolarHBondContact OG-N 3.04Å; E699-I702 PolarHBondContact O-N 2.74Å; E699-G703 PolarHBondContact O-N 2.62Å
700	G	97.7	Very high	95.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-58.6	-51.9	172.6	0	0	0	0	0	112.1	Y546 S696 P697 L698 I702 G703 A704	Y546-G700 WeakPolarHBondContact CE1-O 3.37Å; Y546-G700 PolarHBondContact OH-O 3.38Å; S696-G700 PolarHBondContact O-N 3.48Å; P697-G700 PolarHBondContact O-N 3.42Å; L698-G700 VanDerWaalsContact C-N 3.29Å; L698-G700 PolarHBondContact O-N 2.6Å; G700-I702 VanDerWaalsContact C-N 3.33Å; G700-I702 PolarHBondContact O-N 3.43Å; G700-G703 PolarHBondContact O-N 3.24Å; G700-A704 WeakPolarHBondContact O-CB 3.42Å; G700-A704 PolarHBondContact O-N 3.03Å
701	D	98.4	Very high	95.8	Very high	5 Å²	5	23.6 Å²	23.6	3%	0.027	14%	0.142	C	C	.	.	H	α-helix	trans	-58.5	-44.4	177.9	-76.6	-19.8	0	0	0	112.5	L342 P697 L698 A704 V705 G716 P717 F718 R719 H762	L342-D701 HydrophobicContact CD2-CB 4.41Å; P697-D701 PolarHBondContact O-N 3.01Å; L698-D701 PolarHBondContact O-N 3.35Å; D701-A704 PolarHBondContact O-N 3.36Å; D701-V705 WeakPolarHBondContact O-CB 3.44Å; D701-V705 WeakPolarHBondContact O-CG2 3.5Å; D701-V705 PolarHBondContact O-N 3.19Å; D701-G716 VanDerWaalsContact OD1-CA 3.23Å; D701-G716 WeakPolarHBondContact OD1-CA 3.06Å; D701-P717 VanDerWaalsContact OD1-CD 3.25Å; D701-P717 WeakPolarHBondContact OD1-CD 3.5Å; D701-F718 WeakPolarHBondContact OD1-CB 3.36Å; D701-F718 WeakPolarHBondContact OD1-CD2 3.43Å; D701-F718 PolarHBondContact OD1-N 3.37Å; D701-R719 PolarHBondContact OD2-N 3.02Å; D701-H762 IonicContact OD2-CD2 3.09Å; D701-H762 IonicContact OD2-CE1 2.81Å; D701-H762 PolarHBondContact OD2-CE1 2.93Å; D701-H762 IonicContact OD2-NE2 3.84Å; D701-H762 PolarHBondContact OD2-NE2 3.2Å
702	I	98	Very high	95.8	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-64.2	-43.8	177.6	-66.2	-62.4	0	0	0	111.5	L342 G345 Q346 C349 V535 I537 L698 E699 G700 F706	L342-I702 HydrophobicContact CD2-CD1 4.04Å; L342-I702 WeakPolarHBondContact O-CD1 3.5Å; G345-I702 VanDerWaalsContact C-CD1 3.47Å; Q346-I702 HydrophobicContact CB-CD1 4.32Å; Q346-I702 VanDerWaalsContact N-CD1 3.31Å; C349-I702 HydrophobicContact CB-CG2 4.12Å; V535-I702 HydrophobicContact CG1-CG2 3.47Å; V535-I702 VanDerWaalsContact CG1-CG2 3.47Å; I537-I702 HydrophobicContact CG2-CB 4.38Å; I537-I702 HydrophobicContact CG2-CG2 4.08Å; L698-I702 HydrophobicContact CD2-CG1 4.39Å; L698-I702 VanDerWaalsContact O-CG1 3.27Å; L698-I702 WeakPolarHBondContact O-CG1 3.48Å; L698-I702 PolarHBondContact O-N 3.27Å; L698-I702 VanDerWaalsContact O-N 3.07Å; E699-I702 PolarHBondContact O-N 2.74Å; G700-I702 VanDerWaalsContact C-N 3.33Å; G700-I702 PolarHBondContact O-N 3.43Å; I702-F706 HydrophobicContact CB-CD2 4.48Å; I702-F706 HydrophobicContact CD1-CD2 4.13Å; I702-F706 HydrophobicContact CD1-CE2 3.72Å; I702-F706 HydrophobicContact CG2-CD2 3.86Å; I702-F706 HydrophobicContact CG2-CE2 4.4Å; I702-F706 WeakPolarHBondContact O-CB 3.31Å; I702-F706 WeakPolarHBondContact O-CD2 3.43Å; I702-F706 PolarHBondContact O-N 2.64Å
703	G	97	Very high	95.9	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-61.9	-46.8	176.7	0	0	0	0	0	112.7	L508 E699 G700 G707	L508-G703 WeakPolarHBondContact CD2-O 3.41Å; E699-G703 PolarHBondContact O-N 2.62Å; G700-G703 PolarHBondContact O-N 3.24Å; G703-G707 VanDerWaalsContact O-CA 3.3Å; G703-G707 WeakPolarHBondContact O-CA 3.4Å; G703-G707 PolarHBondContact O-N 2.88Å
704	A	97.6	Very high	96	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-64.2	-44.6	179.3	0	0	0	0	0	112.4	F681 G700 D701 L708 G709 F710 P717	F681-A704 HydrophobicContact CE1-CB 3.96Å; F681-A704 HydrophobicContact CZ-CB 3.87Å; G700-A704 WeakPolarHBondContact O-CB 3.42Å; G700-A704 PolarHBondContact O-N 3.03Å; D701-A704 PolarHBondContact O-N 3.36Å; A704-L708 CarbonylContact O-C 3.57Å; A704-L708 WeakPolarHBondContact O-CA 3.38Å; A704-L708 WeakPolarHBondContact O-CB 3.49Å; A704-L708 PolarHBondContact O-N 3.25Å; A704-G709 PolarHBondContact O-N 2.88Å; A704-F710 HydrophobicContact CB-CB 3.88Å; A704-F710 HydrophobicContact CB-CG 4.45Å; A704-F710 PolarHBondContact O-N 3.37Å; A704-P717 HydrophobicContact CB-CG 3.77Å
705	V	97.4	Very high	95.9	Very high	16 Å²	16	20.1 Å²	20.1	10%	0.097	12%	0.119	C	C	.	.	H	α-helix	trans	-74.1	-49.7	-176.7	174	0	0	0	0	111.9	L342 D701 G709 F710 P712	L342-V705 HydrophobicContact CD1-CG1 4.08Å; L342-V705 HydrophobicContact CD1-CG2 4.13Å; L342-V705 HydrophobicContact CD2-CB 4.09Å; L342-V705 HydrophobicContact CD2-CG1 4.38Å; L342-V705 HydrophobicContact CD2-CG2 3.79Å; D701-V705 WeakPolarHBondContact O-CB 3.44Å; D701-V705 WeakPolarHBondContact O-CG2 3.5Å; D701-V705 PolarHBondContact O-N 3.19Å; V705-G709 PolarHBondContact O-N 2.85Å; V705-F710 HydrophobicContact CG2-CB 4.18Å; V705-F710 HydrophobicContact CG2-CD1 4.43Å; V705-P712 HydrophobicContact CG1-CB 4.18Å; V705-P712 HydrophobicContact CG1-CG 3.93Å
706	F	94.7	Very high	96.2	Very high	50 Å²	50	15.5 Å²	15.5	22%	0.219	9%	0.094	C	C	.	.	H	α-helix	trans	-84.4	-18.6	-174.7	-69	-77.7	0	0	0	114.1	Q346 M506 L508 I702	Q346-F706 HydrophobicContact CB-CE2 4.25Å; Q346-F706 HydrophobicContact CB-CZ 4.34Å; Q346-F706 HydrophobicContact CG-CE2 4.31Å; Q346-F706 HydrophobicContact CG-CZ 4.18Å; M506-F706 WeakPolarHBondContact CE-O 3.31Å; L508-F706 HydrophobicContact CB-CB 4.28Å; I702-F706 HydrophobicContact CB-CD2 4.48Å; I702-F706 HydrophobicContact CD1-CD2 4.13Å; I702-F706 HydrophobicContact CD1-CE2 3.72Å; I702-F706 HydrophobicContact CG2-CD2 3.86Å; I702-F706 HydrophobicContact CG2-CE2 4.4Å; I702-F706 WeakPolarHBondContact O-CB 3.31Å; I702-F706 WeakPolarHBondContact O-CD2 3.43Å; I702-F706 PolarHBondContact O-N 2.64Å
707	G	91.4	Very high	96.4	Very high	12 Å²	12	14 Å²	14	12%	0.124	8%	0.084	C	C	.	.	H	α-helix	trans	-100.6	-51.8	178.1	0	0	0	0	0	113.4	G703	G703-G707 VanDerWaalsContact O-CA 3.3Å; G703-G707 WeakPolarHBondContact O-CA 3.4Å; G703-G707 PolarHBondContact O-N 2.88Å
708	L	92.2	Very high	96.4	Very high	19 Å²	19	12.7 Å²	12.7	10%	0.099	8%	0.075	C	C	.	.	H	α-helix	trans	-100.1	-6.1	-169.8	-54.7	178.6	0	0	0	113.5	F500 T547 C550 L551 F681 A704 F710	F500-L708 HydrophobicContact CE1-CD2 4.48Å; T547-L708 VanDerWaalsContact O-CD1 3.28Å; T547-L708 WeakPolarHBondContact O-CD1 3.49Å; C550-L708 HydrophobicContact CB-CD1 4.16Å; L551-L708 HydrophobicContact CB-CD1 4.41Å; L551-L708 HydrophobicContact CB-CD2 4.05Å; L551-L708 HydrophobicContact CD2-CD2 4.14Å; L551-L708 HydrophobicContact CG-CD2 4.48Å; F681-L708 HydrophobicContact CE2-CB 4Å; F681-L708 HydrophobicContact CE2-CD1 3.51Å; F681-L708 HydrophobicContact CE2-CG 4.4Å; F681-L708 HydrophobicContact CZ-CB 4.08Å; F681-L708 HydrophobicContact CZ-CD1 3.51Å; F681-L708 HydrophobicContact CZ-CG 4.44Å; A704-L708 CarbonylContact O-C 3.57Å; A704-L708 WeakPolarHBondContact O-CA 3.38Å; A704-L708 WeakPolarHBondContact O-CB 3.49Å; A704-L708 PolarHBondContact O-N 3.25Å; L708-F710 VanDerWaalsContact C-N 3.35Å
709	G	93.9	Very high	96.5	Very high	17 Å²	17	12.7 Å²	12.7	18%	0.175	7%	0.071	C	C	.	.			trans	71.1	28.8	-179.4	0	0	0	0	0	113.3	F580 P581 A704 V705	F580-G709 VanDerWaalsContact CD1-O 3.24Å; F580-G709 WeakPolarHBondContact CD1-O 3.5Å; P581-G709 WeakPolarHBondContact CD-O 3.43Å; A704-G709 PolarHBondContact O-N 2.88Å; V705-G709 PolarHBondContact O-N 2.85Å
710	F	97.5	Very high	96.6	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.071	C	C	.	.			trans	-56.3	138.6	170.9	-167.9	-87.9	0	0	0	110	F580 V678 F681 V682 A704 V705 L708 P712 L714 G716 P717 F720	F580-F710 HydrophobicContact CZ-CD2 4.49Å; V678-F710 HydrophobicContact CG1-CE2 4.49Å; F681-F710 AromaticContact CD1-CD2 3.78Å; F681-F710 HydrophobicContact CD1-CD2 3.78Å; F681-F710 AromaticContact CD1-CE2 3.96Å; F681-F710 HydrophobicContact CD1-CE2 3.96Å; F681-F710 AromaticContact CE1-CD2 3.51Å; F681-F710 HydrophobicContact CE1-CD2 3.51Å; F681-F710 HydrophobicContact CE1-CE2 4.09Å; F681-F710 HydrophobicContact CE1-CG 4.34Å; F681-F710 HydrophobicContact CZ-CB 4.46Å; F681-F710 HydrophobicContact CZ-CD2 4.05Å; V682-F710 HydrophobicContact CG2-CE2 3.92Å; V682-F710 HydrophobicContact CG2-CZ 4.14Å; A704-F710 HydrophobicContact CB-CB 3.88Å; A704-F710 HydrophobicContact CB-CG 4.45Å; A704-F710 PolarHBondContact O-N 3.37Å; V705-F710 HydrophobicContact CG2-CB 4.18Å; V705-F710 HydrophobicContact CG2-CD1 4.43Å; L708-F710 VanDerWaalsContact C-N 3.35Å; F710-P712 WeakPolarHBondContact O-CD 3.35Å; F710-P712 VanDerWaalsContact O-N 3.11Å; F710-L714 HydrophobicContact CE1-CB 3.96Å; F710-L714 HydrophobicContact CE1-CD1 4.33Å; F710-G716 VanDerWaalsContact CD1-CA 3.44Å; F710-G716 WeakPolarHBondContact CE1-O 3.33Å; F710-P717 HydrophobicContact CE2-CB 4.26Å; F710-P717 HydrophobicContact CZ-CB 4.36Å; F710-F720 HydrophobicContact CE1-CB 4.14Å; F710-F720 HydrophobicContact CZ-CB 4.01Å; F710-F720 HydrophobicContact CZ-CD1 4.46Å; F710-F720 HydrophobicContact CZ-CG 4.24Å
711	P	97.7	Very high	96.6	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.071	C	C	.	.			trans	-54	115.4	-173	-27.5	33.8	0	0	0	113.3	F578 F580 C713 L714	F578-P711 HydrophobicContact CD1-CG 3.93Å; F578-P711 HydrophobicContact CE1-CG 4.2Å; F580-P711 HydrophobicContact CD2-CG 4Å; F580-P711 HydrophobicContact CE2-CG 4.06Å; F580-P711 HydrophobicContact CG-CG 4.24Å; F580-P711 HydrophobicContact CZ-CG 4.35Å; P711-C713 VanDerWaalsContact C-N 3.28Å; P711-C713 PolarHBondContact O-N 2.97Å; P711-L714 HydrophobicContact CB-CB 4.45Å; P711-L714 HydrophobicContact CB-CD1 3.89Å; P711-L714 HydrophobicContact CB-CG 4Å; P711-L714 HydrophobicContact CG-CD1 4.09Å; P711-L714 PolarHBondContact O-N 3.34Å
712	P	96.8	Very high	96.5	Very high	30 Å²	30	13.5 Å²	13.5	20%	0.195	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-63	-31.1	-178	-22.6	29.9	0	0	0	114.1	Y298 L339 L342 V705 F710 L714 G715	Y298-P712 WeakPolarHBondContact OH-CD 3.49Å; L339-P712 HydrophobicContact CD2-CB 3.89Å; L342-P712 HydrophobicContact CD1-CB 4.11Å; V705-P712 HydrophobicContact CG1-CB 4.18Å; V705-P712 HydrophobicContact CG1-CG 3.93Å; F710-P712 WeakPolarHBondContact O-CD 3.35Å; F710-P712 VanDerWaalsContact O-N 3.11Å; P712-L714 PolarHBondContact O-N 3.12Å; P712-G715 PolarHBondContact O-N 2.9Å
713	C	96.4	Very high	96.3	Very high	10 Å²	10	17.1 Å²	17.1	7%	0.068	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-60.5	-21.8	174.7	52.4	0	0	0	0	113.3	Y298 E335 A338 P711	Y298-C713 HydrophobicContact CD1-CB 4.28Å; Y298-C713 HydrophobicContact CE1-CB 3.73Å; Y298-C713 HydrophobicContact CE2-CB 4.4Å; Y298-C713 PolarHBondContact OH-N 2.9Å; E335-C713 HydrophobicContact CB-CB 4.43Å; E335-C713 HydrophobicContact CG-CB 3.98Å; A338-C713 WeakPolarHBondContact CB-O 3.32Å; P711-C713 VanDerWaalsContact C-N 3.28Å; P711-C713 PolarHBondContact O-N 2.97Å
714	L	97.2	Very high	96.2	Very high	40 Å²	40	19 Å²	19	21%	0.209	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-93.4	-9	175.2	-56	179.4	0	0	0	112.7	F578 F710 P711 P712 G716 F720	F578-L714 HydrophobicContact CD1-CD1 4.38Å; F578-L714 HydrophobicContact CE1-CD1 3.51Å; F578-L714 HydrophobicContact CZ-CD1 3.91Å; F710-L714 HydrophobicContact CE1-CB 3.96Å; F710-L714 HydrophobicContact CE1-CD1 4.33Å; P711-L714 HydrophobicContact CB-CB 4.45Å; P711-L714 HydrophobicContact CB-CD1 3.89Å; P711-L714 HydrophobicContact CB-CG 4Å; P711-L714 HydrophobicContact CG-CD1 4.09Å; P711-L714 PolarHBondContact O-N 3.34Å; P712-L714 PolarHBondContact O-N 3.12Å; L714-G716 VanDerWaalsContact C-N 3.33Å; L714-G716 PolarHBondContact O-N 3.24Å; L714-F720 HydrophobicContact CB-CB 4.29Å; L714-F720 HydrophobicContact CB-CD2 4.22Å; L714-F720 HydrophobicContact CD1-CD2 3.81Å; L714-F720 HydrophobicContact CD1-CE2 4.18Å; L714-F720 HydrophobicContact CD2-CD2 4.21Å; L714-F720 HydrophobicContact CG-CD2 4.3Å; L714-F720 PolarHBondContact O-N 3.04Å
715	G	96.1	Very high	96.1	Very high	3 Å²	3	19.8 Å²	19.8	3%	0.031	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	2.2	172.8	0	0	0	0	0	116.1	A338 L342 P712	A338-G715 VanDerWaalsContact CB-CA 3.49Å; L342-G715 WeakPolarHBondContact CD2-O 3.46Å; P712-G715 PolarHBondContact O-N 2.9Å
716	G	97.8	Very high	96.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.115	C	C	.	.	S	Bend	trans	108	165.2	-172.9	0	0	0	0	0	112.6	D701 F710 L714 F718 R719 F720	D701-G716 VanDerWaalsContact OD1-CA 3.23Å; D701-G716 WeakPolarHBondContact OD1-CA 3.06Å; F710-G716 VanDerWaalsContact CD1-CA 3.44Å; F710-G716 WeakPolarHBondContact CE1-O 3.33Å; L714-G716 VanDerWaalsContact C-N 3.33Å; L714-G716 PolarHBondContact O-N 3.24Å; G716-F718 VanDerWaalsContact C-N 3.31Å; G716-F718 PolarHBondContact O-N 3.06Å; G716-R719 PolarHBondContact O-N 3.44Å; G716-F720 WeakPolarHBondContact O-CB 3.23Å; G716-F720 PolarHBondContact O-N 3.19Å
717	P	98.2	Very high	96.2	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-58.4	-36.6	-176.1	23.4	-35.8	0	0	0	113.9	F681 V682 A685 D701 A704 F710 V721	F681-P717 HydrophobicContact CD1-CB 4.39Å; F681-P717 HydrophobicContact CE1-CB 4.19Å; F681-P717 HydrophobicContact CE1-CG 4.11Å; V682-P717 HydrophobicContact CB-CB 4.44Å; V682-P717 HydrophobicContact CG1-CB 4.38Å; V682-P717 HydrophobicContact CG2-CB 3.98Å; A685-P717 HydrophobicContact CB-CB 3.91Å; A685-P717 HydrophobicContact CB-CG 3.89Å; D701-P717 VanDerWaalsContact OD1-CD 3.25Å; D701-P717 WeakPolarHBondContact OD1-CD 3.5Å; A704-P717 HydrophobicContact CB-CG 3.77Å; F710-P717 HydrophobicContact CE2-CB 4.26Å; F710-P717 HydrophobicContact CZ-CB 4.36Å; P717-V721 WeakPolarHBondContact O-CG2 3.34Å; P717-V721 PolarHBondContact O-N 2.78Å
718	F	98.3	Very high	96.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-75.7	-44.4	-179.3	-64.3	-88.9	0	0	0	111.2	A685 V686 L689 L694 P697 D701 G716 F720 V721 D722 F761	A685-F718 HydrophobicContact CB-CE2 4.26Å; A685-F718 HydrophobicContact CB-CZ 4.43Å; A685-F718 VanDerWaalsContact O-CZ 3.27Å; A685-F718 WeakPolarHBondContact O-CZ 3.3Å; V686-F718 HydrophobicContact CG2-CD1 4.37Å; V686-F718 HydrophobicContact CG2-CE1 4.15Å; L689-F718 HydrophobicContact CB-CE1 3.82Å; L689-F718 HydrophobicContact CB-CZ 3.89Å; L689-F718 HydrophobicContact CD2-CD1 4.15Å; L689-F718 HydrophobicContact CD2-CE1 3.48Å; L689-F718 VanDerWaalsContact CD2-CE1 3.48Å; L689-F718 HydrophobicContact CD2-CZ 4.22Å; L689-F718 HydrophobicContact CG-CE1 4.26Å; L694-F718 HydrophobicContact CD1-CE2 3.72Å; L694-F718 HydrophobicContact CD1-CZ 3.62Å; P697-F718 HydrophobicContact CB-CB 3.83Å; P697-F718 HydrophobicContact CB-CD1 3.64Å; P697-F718 HydrophobicContact CB-CD2 4.14Å; P697-F718 HydrophobicContact CB-CE1 4.21Å; P697-F718 HydrophobicContact CB-CG 3.59Å; P697-F718 WeakPolarHBondContact O-CD2 3.4Å; D701-F718 WeakPolarHBondContact OD1-CB 3.36Å; D701-F718 WeakPolarHBondContact OD1-CD2 3.43Å; D701-F718 PolarHBondContact OD1-N 3.37Å; G716-F718 VanDerWaalsContact C-N 3.31Å; G716-F718 PolarHBondContact O-N 3.06Å; F718-F720 VanDerWaalsContact C-N 3.28Å; F718-F720 PolarHBondContact O-N 3.13Å; F718-V721 PolarHBondContact O-N 3.03Å; F718-D722 PolarHBondContact O-N 3.26Å; F718-D722 VanDerWaalsContact O-N 3.16Å; F718-F761 HydrophobicContact CB-CB 3.98Å; F718-F761 HydrophobicContact CB-CD2 4.17Å; F718-F761 HydrophobicContact CB-CG 4.07Å; F718-F761 HydrophobicContact CD1-CB 4.32Å; F718-F761 AromaticContact CD1-CD1 3.63Å; F718-F761 HydrophobicContact CD1-CD1 3.63Å; F718-F761 AromaticContact CD1-CD2 3.95Å; F718-F761 HydrophobicContact CD1-CD2 3.95Å; F718-F761 AromaticContact CD1-CE1 3.84Å; F718-F761 HydrophobicContact CD1-CE1 3.84Å; F718-F761 HydrophobicContact CD1-CE2 4.13Å; F718-F761 AromaticContact CD1-CG 3.7Å; F718-F761 HydrophobicContact CD1-CG 3.7Å; F718-F761 HydrophobicContact CD1-CZ 4.08Å; F718-F761 HydrophobicContact CE1-CD1 4.25Å; F718-F761 HydrophobicContact CE1-CE1 4.13Å; F718-F761 HydrophobicContact CE1-CZ 4.46Å; F718-F761 HydrophobicContact CG-CG 4.38Å
719	R	97.4	Very high	96.7	Very high	55 Å²	55	25 Å²	25	21%	0.208	14%	0.137	C	C	.	.	H	α-helix	trans	-63	-35.5	173.2	-173.5	62.5	62.9	157.6	6.8	112.4	D701 G716 V721 D722 T723 H762	D701-R719 PolarHBondContact OD2-N 3.02Å; G716-R719 PolarHBondContact O-N 3.44Å; R719-V721 VanDerWaalsContact C-N 3.34Å; R719-D722 PolarHBondContact O-N 3.06Å; R719-T723 HydrophobicContact CG-CG2 4.36Å; R719-T723 WeakPolarHBondContact O-CB 3.28Å; R719-T723 WeakPolarHBondContact O-CG2 3.42Å; R719-T723 PolarHBondContact O-N 3.32Å; R719-T723 PolarHBondContact O-OG1 3.13Å; R719-H762 PolarHBondContact NE-CD2 3.02Å; R719-H762 PolarHBondContact NH2-ND1 2.79Å; R719-H762 VanDerWaalsContact NH2-ND1 3.13Å
720	F	97.8	Very high	96.9	Very high	6 Å²	6	24.7 Å²	24.7	3%	0.026	13%	0.132	C	C	.	.	H	α-helix	trans	-60.3	-44.1	174.3	171.6	-108.5	0	0	0	111	Y675 V678 V682 F710 L714 G716 F718 D722 T723 F724 L729	Y675-F720 HydrophobicContact CE1-CZ 4.19Å; V678-F720 HydrophobicContact CG1-CD1 4.48Å; V678-F720 HydrophobicContact CG1-CE1 3.95Å; V678-F720 HydrophobicContact CG1-CZ 4.28Å; V682-F720 HydrophobicContact CG1-CD1 4.44Å; V682-F720 HydrophobicContact CG2-CD1 3.86Å; V682-F720 HydrophobicContact CG2-CE1 4.27Å; F710-F720 HydrophobicContact CE1-CB 4.14Å; F710-F720 HydrophobicContact CZ-CB 4.01Å; F710-F720 HydrophobicContact CZ-CD1 4.46Å; F710-F720 HydrophobicContact CZ-CG 4.24Å; L714-F720 HydrophobicContact CB-CB 4.29Å; L714-F720 HydrophobicContact CB-CD2 4.22Å; L714-F720 HydrophobicContact CD1-CD2 3.81Å; L714-F720 HydrophobicContact CD1-CE2 4.18Å; L714-F720 HydrophobicContact CD2-CD2 4.21Å; L714-F720 HydrophobicContact CG-CD2 4.3Å; L714-F720 PolarHBondContact O-N 3.04Å; G716-F720 WeakPolarHBondContact O-CB 3.23Å; G716-F720 PolarHBondContact O-N 3.19Å; F718-F720 VanDerWaalsContact C-N 3.28Å; F718-F720 PolarHBondContact O-N 3.13Å; F720-D722 VanDerWaalsContact C-N 3.34Å; F720-D722 PolarHBondContact O-N 3.37Å; F720-T723 PolarHBondContact O-N 3.43Å; F720-T723 PolarHBondContact O-OG1 3.32Å; F720-F724 HydrophobicContact CD2-CB 3.99Å; F720-F724 HydrophobicContact CE1-CB 4.39Å; F720-F724 HydrophobicContact CE1-CD1 4.34Å; F720-F724 HydrophobicContact CE1-CG 4.42Å; F720-F724 HydrophobicContact CE2-CB 3.63Å; F720-F724 HydrophobicContact CE2-CD1 4.44Å; F720-F724 HydrophobicContact CE2-CD2 4.02Å; F720-F724 AromaticContact CE2-CG 3.78Å; F720-F724 HydrophobicContact CE2-CG 3.78Å; F720-F724 HydrophobicContact CZ-CB 3.85Å; F720-F724 AromaticContact CZ-CD1 3.87Å; F720-F724 HydrophobicContact CZ-CD1 3.87Å; F720-F724 HydrophobicContact CZ-CD2 4.11Å; F720-F724 HydrophobicContact CZ-CE1 4.47Å; F720-F724 AromaticContact CZ-CG 3.66Å; F720-F724 HydrophobicContact CZ-CG 3.66Å; F720-F724 WeakPolarHBondContact O-CB 3.14Å; F720-F724 PolarHBondContact O-N 3.46Å; F720-L729 HydrophobicContact CE1-CD1 4.36Å
721	V	97.6	Very high	96.9	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.012	16%	0.16	C	C	.	.	H	α-helix	trans	-59.6	-45.2	174.6	175.9	0	0	0	0	111.3	V682 V686 P717 F718 R719 T723 G725 A726 L729 L750 F761	V682-V721 HydrophobicContact CG1-CG2 3.48Å; V682-V721 VanDerWaalsContact CG1-CG2 3.48Å; V686-V721 HydrophobicContact CG2-CG2 4.48Å; P717-V721 WeakPolarHBondContact O-CG2 3.34Å; P717-V721 PolarHBondContact O-N 2.78Å; F718-V721 PolarHBondContact O-N 3.03Å; R719-V721 VanDerWaalsContact C-N 3.34Å; V721-T723 VanDerWaalsContact C-N 3.27Å; V721-T723 PolarHBondContact O-N 3.3Å; V721-G725 CarbonylContact O-C 3.5Å; V721-G725 WeakPolarHBondContact O-CA 3.42Å; V721-G725 PolarHBondContact O-N 2.96Å; V721-A726 HydrophobicContact CG1-CB 3.65Å; V721-A726 PolarHBondContact O-N 2.88Å; V721-L729 HydrophobicContact CG2-CD2 3.89Å; V721-L750 HydrophobicContact CG1-CD1 4.03Å; V721-L750 HydrophobicContact CG2-CD1 4.3Å; V721-F761 HydrophobicContact CB-CD2 4.22Å; V721-F761 HydrophobicContact CB-CE2 4.03Å; V721-F761 HydrophobicContact CG1-CD2 4.27Å; V721-F761 HydrophobicContact CG1-CE2 3.83Å; V721-F761 HydrophobicContact CG2-CE2 4.43Å
722	D	96	Very high	96.9	Very high	23 Å²	23	32.3 Å²	32.3	12%	0.123	17%	0.17	C	C	.	.	H	α-helix	trans	-64.7	-28.6	-179	-68.3	-17.4	0	0	0	113.9	F718 R719 F720 K760 F761 H762	F718-D722 PolarHBondContact O-N 3.26Å; F718-D722 VanDerWaalsContact O-N 3.16Å; R719-D722 PolarHBondContact O-N 3.06Å; F720-D722 VanDerWaalsContact C-N 3.34Å; F720-D722 PolarHBondContact O-N 3.37Å; D722-K760 HydrophobicContact CB-CB 4.48Å; D722-K760 VanDerWaalsContact OD1-CA 3.27Å; D722-K760 WeakPolarHBondContact OD1-CA 3.39Å; D722-F761 PolarHBondContact OD1-N 3.15Å; D722-F761 PolarHBondContact OD2-N 3.29Å; D722-H762 IonicContact OD2-CD2 2.84Å; D722-H762 PolarHBondContact OD2-CD2 2.85Å; D722-H762 IonicContact OD2-CG 3.87Å; D722-H762 PolarHBondContact OD2-N 3.43Å
723	T	94.1	Very high	96.9	Very high	76 Å²	76	30.9 Å²	30.9	47%	0.466	16%	0.161	S	C	.	.	H	α-helix	trans	-97.9	-41.1	-175.5	50.6	0	0	0	0	112.8	R719 F720 V721	R719-T723 HydrophobicContact CG-CG2 4.36Å; R719-T723 WeakPolarHBondContact O-CB 3.28Å; R719-T723 WeakPolarHBondContact O-CG2 3.42Å; R719-T723 PolarHBondContact O-N 3.32Å; R719-T723 PolarHBondContact O-OG1 3.13Å; F720-T723 PolarHBondContact O-N 3.43Å; F720-T723 PolarHBondContact O-OG1 3.32Å; V721-T723 VanDerWaalsContact C-N 3.27Å; V721-T723 PolarHBondContact O-N 3.3Å
724	F	94.9	Very high	97	Very high	41 Å²	41	34.9 Å²	34.9	18%	0.18	18%	0.175	C	C	.	.	H	α-helix	trans	-72.1	-40.3	177.4	-176.1	-110	0	0	0	111.7	Y675 F720 K728 L729 K732	Y675-F724 HydrophobicContact CD1-CZ 4.45Å; Y675-F724 HydrophobicContact CE1-CE1 4.17Å; Y675-F724 AromaticContact CE1-CE2 3.83Å; Y675-F724 HydrophobicContact CE1-CE2 3.83Å; Y675-F724 AromaticContact CE1-CZ 3.59Å; Y675-F724 HydrophobicContact CE1-CZ 3.59Å; Y675-F724 AromaticContact CZ-CE2 3.86Å; Y675-F724 AromaticContact CZ-CZ 3.89Å; Y675-F724 VanDerWaalsContact OH-CE2 3.28Å; Y675-F724 WeakPolarHBondContact OH-CE2 3.45Å; F720-F724 HydrophobicContact CD2-CB 3.99Å; F720-F724 HydrophobicContact CE1-CB 4.39Å; F720-F724 HydrophobicContact CE1-CD1 4.34Å; F720-F724 HydrophobicContact CE1-CG 4.42Å; F720-F724 HydrophobicContact CE2-CB 3.63Å; F720-F724 HydrophobicContact CE2-CD1 4.44Å; F720-F724 HydrophobicContact CE2-CD2 4.02Å; F720-F724 AromaticContact CE2-CG 3.78Å; F720-F724 HydrophobicContact CE2-CG 3.78Å; F720-F724 HydrophobicContact CZ-CB 3.85Å; F720-F724 AromaticContact CZ-CD1 3.87Å; F720-F724 HydrophobicContact CZ-CD1 3.87Å; F720-F724 HydrophobicContact CZ-CD2 4.11Å; F720-F724 HydrophobicContact CZ-CE1 4.47Å; F720-F724 AromaticContact CZ-CG 3.66Å; F720-F724 HydrophobicContact CZ-CG 3.66Å; F720-F724 WeakPolarHBondContact O-CB 3.14Å; F720-F724 PolarHBondContact O-N 3.46Å; F724-K728 HydrophobicContact CD1-CB 4.22Å; F724-K728 HydrophobicContact CE1-CB 3.76Å; F724-K728 HydrophobicContact CZ-CB 4.24Å; F724-K728 WeakPolarHBondContact O-CD 3.25Å; F724-K728 PolarHBondContact O-NZ 3.21Å; F724-L729 HydrophobicContact CD1-CB 4.18Å; F724-L729 HydrophobicContact CE1-CB 4.31Å; F724-K732 HydrophobicContact CE1-CD 4.31Å; F724-K732 HydrophobicContact CZ-CD 4.08Å
725	G	95.4	Very high	97	Very high	16 Å²	16	36.7 Å²	36.7	17%	0.165	18%	0.181	C	C	.	.			trans	110.8	122.9	-173.2	0	0	0	0	0	111.3	V721 D727 K728 L729	V721-G725 CarbonylContact O-C 3.5Å; V721-G725 WeakPolarHBondContact O-CA 3.42Å; V721-G725 PolarHBondContact O-N 2.96Å; G725-D727 VanDerWaalsContact C-N 3.33Å; G725-D727 WeakPolarHBondContact CA-OD1 3.42Å; G725-K728 PolarHBondContact O-N 2.99Å; G725-L729 PolarHBondContact O-N 2.92Å; G725-L729 VanDerWaalsContact O-N 3.12Å
726	A	96.8	Very high	97.1	Very high	13 Å²	13	36.5 Å²	36.5	11%	0.107	18%	0.179	C	C	.	.	H	α-helix	trans	-63.7	-39.3	177.7	0	0	0	0	0	112	V721 L729 V730 L750 H753 A754	V721-A726 HydrophobicContact CG1-CB 3.65Å; V721-A726 PolarHBondContact O-N 2.88Å; A726-L729 PolarHBondContact O-N 2.87Å; A726-V730 WeakPolarHBondContact O-CB 3.48Å; A726-V730 WeakPolarHBondContact O-CG2 3.27Å; A726-V730 PolarHBondContact O-N 3.23Å; A726-L750 HydrophobicContact CB-CD1 4.29Å; A726-H753 HydrophobicContact CB-CB 3.87Å; A726-A754 HydrophobicContact CB-CB 4.25Å
727	D	96.5	Very high	97.1	Very high	77 Å²	77	38.5 Å²	38.5	41%	0.412	19%	0.188	S	C	.	.	H	α-helix	trans	-55.4	-53.8	172.7	60.8	-33.3	0	0	0	111.7	G725 L729 V730 D731	G725-D727 VanDerWaalsContact C-N 3.33Å; G725-D727 WeakPolarHBondContact CA-OD1 3.42Å; D727-L729 VanDerWaalsContact C-N 3.28Å; D727-L729 PolarHBondContact O-N 3.49Å; D727-V730 PolarHBondContact O-N 2.87Å; D727-V730 VanDerWaalsContact O-N 3.14Å; D727-D731 PolarHBondContact O-N 2.99Å
728	K	96.8	Very high	97	Very high	115 Å²	115	46.5 Å²	46.5	50%	0.5	23%	0.226	S	C	.	.	H	α-helix	trans	-63.6	-35	-179.1	-60.6	-175.4	-161.6	154.4	0	112.6	F724 G725 K732	F724-K728 HydrophobicContact CD1-CB 4.22Å; F724-K728 HydrophobicContact CE1-CB 3.76Å; F724-K728 HydrophobicContact CZ-CB 4.24Å; F724-K728 WeakPolarHBondContact O-CD 3.25Å; F724-K728 PolarHBondContact O-NZ 3.21Å; G725-K728 PolarHBondContact O-N 2.99Å; K728-K732 WeakPolarHBondContact O-CG 3.32Å; K728-K732 PolarHBondContact O-N 2.92Å
729	L	97.4	Very high	96.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-68.2	-45.1	175.9	-176.8	60.4	0	0	0	110.8	V682 F720 V721 F724 G725 A726 D727 D731 K732 M733 L750	V682-L729 HydrophobicContact CB-CD2 4.3Å; V682-L729 HydrophobicContact CG1-CD2 3.62Å; F720-L729 HydrophobicContact CE1-CD1 4.36Å; V721-L729 HydrophobicContact CG2-CD2 3.89Å; F724-L729 HydrophobicContact CD1-CB 4.18Å; F724-L729 HydrophobicContact CE1-CB 4.31Å; G725-L729 PolarHBondContact O-N 2.92Å; G725-L729 VanDerWaalsContact O-N 3.12Å; A726-L729 PolarHBondContact O-N 2.87Å; D727-L729 VanDerWaalsContact C-N 3.28Å; D727-L729 PolarHBondContact O-N 3.49Å; L729-D731 VanDerWaalsContact C-N 3.35Å; L729-D731 PolarHBondContact O-N 3.21Å; L729-K732 PolarHBondContact O-N 2.96Å; L729-M733 HydrophobicContact CD1-SD 4.47Å; L729-M733 HydrophobicContact CG-SD 4.08Å; L729-M733 WeakPolarHBondContact O-CB 3.38Å; L729-M733 VanDerWaalsContact O-CG 3.28Å; L729-M733 WeakPolarHBondContact O-CG 3.27Å; L729-M733 PolarHBondContact O-N 3.48Å; L729-L750 HydrophobicContact CD2-CD1 4.28Å; L729-L750 HydrophobicContact CD2-CD2 4.1Å; L729-L750 HydrophobicContact CG-CD2 4.46Å
730	V	98.1	Very high	96.6	Very high	12 Å²	12	48 Å²	48	7%	0.073	24%	0.237	C	C	.	.	H	α-helix	trans	-59.7	-44.7	176.2	166	0	0	0	0	111.1	A726 D727 K732 M733 R734 P746 L750 L751 A754	A726-V730 WeakPolarHBondContact O-CB 3.48Å; A726-V730 WeakPolarHBondContact O-CG2 3.27Å; A726-V730 PolarHBondContact O-N 3.23Å; D727-V730 PolarHBondContact O-N 2.87Å; D727-V730 VanDerWaalsContact O-N 3.14Å; V730-K732 PolarHBondContact O-N 3.19Å; V730-M733 WeakPolarHBondContact O-CB 3.37Å; V730-M733 PolarHBondContact O-N 3.36Å; V730-M733 VanDerWaalsContact O-N 3.12Å; V730-R734 HydrophobicContact CG1-CG 4.29Å; V730-R734 WeakPolarHBondContact O-CG 3.38Å; V730-R734 PolarHBondContact O-N 3.2Å; V730-P746 HydrophobicContact CG1-CG 4.19Å; V730-P746 HydrophobicContact CG2-CB 4.15Å; V730-P746 HydrophobicContact CG2-CG 4.29Å; V730-L750 HydrophobicContact CG2-CD2 4.24Å; V730-L750 HydrophobicContact CG2-CG 3.85Å; V730-L751 HydrophobicContact CG1-CD2 3.89Å; V730-L751 HydrophobicContact CG2-CD2 4.23Å; V730-A754 HydrophobicContact CB-CB 4.15Å; V730-A754 HydrophobicContact CG2-CB 3.69Å
731	D	97.8	Very high	96.3	Very high	108 Å²	108	49.1 Å²	49.1	58%	0.578	25%	0.25	S	S	*	.	H	α-helix	trans	-60.1	-44.4	178.6	-70.7	-15.8	0	0	0	112	D727 L729 M733 R734 K735	D727-D731 PolarHBondContact O-N 2.99Å; L729-D731 VanDerWaalsContact C-N 3.35Å; L729-D731 PolarHBondContact O-N 3.21Å; D731-M733 VanDerWaalsContact C-N 3.33Å; D731-M733 PolarHBondContact O-N 3.09Å; D731-R734 PolarHBondContact O-N 3.34Å; D731-K735 PolarHBondContact O-N 3.33Å
732	K	97.3	Very high	96.1	Very high	52 Å²	52	52.7 Å²	52.7	23%	0.226	27%	0.27	C	S	.	.	H	α-helix	trans	-60.8	-43.7	173.9	-76.6	-175.8	175.2	-66.6	0	111.7	Y675 F724 K728 L729 V730 K735 F736	Y675-K732 HydrophobicContact CD1-CD 3.66Å; Y675-K732 HydrophobicContact CD2-CD 4.02Å; Y675-K732 HydrophobicContact CE1-CD 4.1Å; Y675-K732 HydrophobicContact CE2-CD 4.45Å; Y675-K732 HydrophobicContact CG-CD 3.64Å; F724-K732 HydrophobicContact CE1-CD 4.31Å; F724-K732 HydrophobicContact CZ-CD 4.08Å; K728-K732 WeakPolarHBondContact O-CG 3.32Å; K728-K732 PolarHBondContact O-N 2.92Å; L729-K732 PolarHBondContact O-N 2.96Å; V730-K732 PolarHBondContact O-N 3.19Å; K732-K735 WeakPolarHBondContact O-CB 3.4Å; K732-K735 PolarHBondContact O-N 2.98Å; K732-F736 HydrophobicContact CB-CE2 4.03Å; K732-F736 HydrophobicContact CB-CZ 4.33Å; K732-F736 WeakPolarHBondContact O-CD2 3.28Å; K732-F736 WeakPolarHBondContact O-CE2 3.24Å; K732-F736 WeakPolarHBondContact O-CG 3.32Å; K732-F736 PolarHBondContact O-N 2.88Å; K732-F736 VanDerWaalsContact O-N 3.08Å
733	M	98.1	Very high	95.9	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-63.7	-42.5	179	-75.7	179.3	69.5	0	0	112.4	N683 L729 V730 D731 K735 F736 E737 F744 P746 L750	N683-M733 HydrophobicContact CB-CE 3.55Å; N683-M733 HydrophobicContact CB-SD 4.27Å; N683-M733 VanDerWaalsContact CG-CE 3.44Å; L729-M733 HydrophobicContact CD1-SD 4.47Å; L729-M733 HydrophobicContact CG-SD 4.08Å; L729-M733 WeakPolarHBondContact O-CB 3.38Å; L729-M733 VanDerWaalsContact O-CG 3.28Å; L729-M733 WeakPolarHBondContact O-CG 3.27Å; L729-M733 PolarHBondContact O-N 3.48Å; V730-M733 WeakPolarHBondContact O-CB 3.37Å; V730-M733 PolarHBondContact O-N 3.36Å; V730-M733 VanDerWaalsContact O-N 3.12Å; D731-M733 VanDerWaalsContact C-N 3.33Å; D731-M733 PolarHBondContact O-N 3.09Å; M733-K735 PolarHBondContact O-N 3.12Å; M733-F736 PolarHBondContact O-N 3.32Å; M733-F736 VanDerWaalsContact O-N 3.14Å; M733-E737 WeakPolarHBondContact O-CB 3.33Å; M733-E737 PolarHBondContact O-N 3.09Å; M733-F744 WeakPolarHBondContact CB-O 3.42Å; M733-F744 VanDerWaalsContact CE-O 3.23Å; M733-F744 WeakPolarHBondContact CE-O 3.29Å; M733-P746 HydrophobicContact CB-CG 3.88Å; M733-P746 HydrophobicContact CE-CB 4.09Å; M733-P746 HydrophobicContact CE-CG 3.97Å; M733-P746 HydrophobicContact SD-CB 4.46Å; M733-P746 HydrophobicContact SD-CG 4.29Å; M733-L750 HydrophobicContact CE-CD2 4.47Å; M733-L750 HydrophobicContact SD-CD2 3.7Å
734	R	98.1	Very high	96	Very high	93 Å²	93	49.1 Å²	49.1	35%	0.351	25%	0.247	S	C	.	.	H	α-helix	trans	-61.6	-42.4	174.6	-67.5	-54.7	-172.7	177.1	-0.5	111.8	V730 D731 F736 E737 E738	V730-R734 HydrophobicContact CG1-CG 4.29Å; V730-R734 WeakPolarHBondContact O-CG 3.38Å; V730-R734 PolarHBondContact O-N 3.2Å; D731-R734 PolarHBondContact O-N 3.34Å; R734-F736 VanDerWaalsContact C-N 3.28Å; R734-F736 PolarHBondContact O-N 3.43Å; R734-E737 WeakPolarHBondContact CD-OE2 3.01Å; R734-E737 IonicContact CZ-OE2 2.66Å; R734-E737 IonicContact NE-OE2 3.47Å; R734-E737 IonicContact NH1-OE1 2.98Å; R734-E737 PolarHBondContact NH1-OE1 3.31Å; R734-E737 IonicContact NH1-OE2 3.33Å; R734-E737 PolarHBondContact NH1-OE2 3.3Å; R734-E737 WeakPolarHBondContact O-CB 3.33Å; R734-E737 PolarHBondContact O-N 3.22Å; R734-E738 WeakPolarHBondContact O-CG 3.26Å; R734-E738 PolarHBondContact O-N 2.79Å
735	K	97.6	Very high	96.2	Very high	78 Å²	78	49.6 Å²	49.6	34%	0.339	25%	0.253	S	S	.	.	H	α-helix	trans	-56.1	-41.7	172.5	-177.6	-168	174.2	-163.3	0	112.1	A666 V667 D672 D731 K732 M733	A666-K735 WeakPolarHBondContact O-CE 3.39Å; A666-K735 PolarHBondContact O-NZ 3.07Å; V667-K735 HydrophobicContact CG1-CD 4.45Å; V667-K735 HydrophobicContact CG1-CG 4.15Å; D672-K735 VanDerWaalsContact CG-NZ 3.29Å; D672-K735 IonicContact OD1-NZ 2.99Å; D672-K735 PolarHBondContact OD1-NZ 2.72Å; D672-K735 IonicContact OD2-NZ 2.83Å; D672-K735 PolarHBondContact OD2-NZ 3.17Å; D731-K735 PolarHBondContact O-N 3.33Å; K732-K735 WeakPolarHBondContact O-CB 3.4Å; K732-K735 PolarHBondContact O-N 2.98Å; M733-K735 PolarHBondContact O-N 3.12Å
736	F	97.4	Very high	96.3	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-74.9	-34.4	178.1	-54.2	-36.4	0	0	0	112.6	V667 D672 R676 K732 M733 R734 V739 Y740 F744	V667-F736 HydrophobicContact CB-CD1 4.05Å; V667-F736 HydrophobicContact CB-CE1 4.36Å; V667-F736 HydrophobicContact CG1-CD1 3.69Å; V667-F736 HydrophobicContact CG1-CE1 4.17Å; D672-F736 HydrophobicContact CB-CE1 3.94Å; D672-F736 HydrophobicContact CB-CZ 4.36Å; R676-F736 HydrophobicContact CG-CD1 3.86Å; R676-F736 HydrophobicContact CG-CD2 4.02Å; R676-F736 HydrophobicContact CG-CE1 3.94Å; R676-F736 HydrophobicContact CG-CE2 4.09Å; R676-F736 HydrophobicContact CG-CG 3.92Å; R676-F736 HydrophobicContact CG-CZ 4.06Å; K732-F736 HydrophobicContact CB-CE2 4.03Å; K732-F736 HydrophobicContact CB-CZ 4.33Å; K732-F736 WeakPolarHBondContact O-CD2 3.28Å; K732-F736 WeakPolarHBondContact O-CE2 3.24Å; K732-F736 WeakPolarHBondContact O-CG 3.32Å; K732-F736 PolarHBondContact O-N 2.88Å; K732-F736 VanDerWaalsContact O-N 3.08Å; M733-F736 PolarHBondContact O-N 3.32Å; M733-F736 VanDerWaalsContact O-N 3.14Å; R734-F736 VanDerWaalsContact C-N 3.28Å; R734-F736 PolarHBondContact O-N 3.43Å; F736-V739 PolarHBondContact O-N 2.99Å; F736-Y740 WeakPolarHBondContact O-CB 3.44Å; F736-Y740 PolarHBondContact O-N 2.97Å; F736-F744 HydrophobicContact CB-CB 3.93Å; F736-F744 HydrophobicContact CB-CD1 3.55Å; F736-F744 HydrophobicContact CB-CD2 3.88Å; F736-F744 HydrophobicContact CB-CE1 3.94Å; F736-F744 HydrophobicContact CB-CE2 4.27Å; F736-F744 HydrophobicContact CB-CG 3.5Å; F736-F744 VanDerWaalsContact CB-CG 3.5Å; F736-F744 HydrophobicContact CB-CZ 4.28Å; F736-F744 AromaticContact CD2-CD1 3.97Å; F736-F744 HydrophobicContact CD2-CD1 3.97Å; F736-F744 HydrophobicContact CD2-CE1 4.18Å; F736-F744 HydrophobicContact CG-CD1 4.18Å; F736-F744 HydrophobicContact CG-CE1 4.33Å
737	E	96.9	Very high	96.3	Very high	41 Å²	41	49.1 Å²	49.1	19%	0.192	25%	0.246	C	C	.	.	H	α-helix	trans	-64.4	-38.7	176.9	-178	179.4	-154.4	0	0	112.3	M733 R734 V739 G741 F744 T745	M733-E737 WeakPolarHBondContact O-CB 3.33Å; M733-E737 PolarHBondContact O-N 3.09Å; R734-E737 WeakPolarHBondContact CD-OE2 3.01Å; R734-E737 IonicContact CZ-OE2 2.66Å; R734-E737 IonicContact NE-OE2 3.47Å; R734-E737 IonicContact NH1-OE1 2.98Å; R734-E737 PolarHBondContact NH1-OE1 3.31Å; R734-E737 IonicContact NH1-OE2 3.33Å; R734-E737 PolarHBondContact NH1-OE2 3.3Å; R734-E737 WeakPolarHBondContact O-CB 3.33Å; R734-E737 PolarHBondContact O-N 3.22Å; E737-V739 PolarHBondContact O-N 2.84Å; E737-G741 WeakPolarHBondContact O-CA 3.37Å; E737-G741 PolarHBondContact O-N 2.89Å; E737-F744 HydrophobicContact CB-CB 4.02Å; E737-T745 WeakPolarHBondContact OE1-CB 3.39Å; E737-T745 WeakPolarHBondContact OE1-CG2 3.31Å; E737-T745 PolarHBondContact OE1-OG1 3.42Å
738	E	96.4	Very high	96.4	Very high	169 Å²	169	50 Å²	50	79%	0.79	25%	0.247	S	C	*	.	H	α-helix	trans	-57.7	-31.6	175.8	-75.6	175.6	-175.8	0	0	112.9	R734	R734-E738 WeakPolarHBondContact O-CG 3.26Å; R734-E738 PolarHBondContact O-N 2.79Å
739	V	94.4	Very high	96.4	Very high	47 Å²	47	46.3 Å²	46.3	29%	0.285	23%	0.233	S	C	.	.	H	α-helix	trans	-93.8	-43.7	-178.1	178.3	0	0	0	0	112.1	N664 V667 F736 E737	N664-V739 HydrophobicContact CB-CG1 3.67Å; N664-V739 WeakPolarHBondContact ND2-CG1 3.46Å; V667-V739 HydrophobicContact CG1-CG2 3.96Å; V667-V739 HydrophobicContact CG2-CB 4.12Å; V667-V739 HydrophobicContact CG2-CG1 3.83Å; V667-V739 HydrophobicContact CG2-CG2 4.09Å; F736-V739 PolarHBondContact O-N 2.99Å; E737-V739 PolarHBondContact O-N 2.84Å
740	Y	92.8	Very high	96.4	Very high	39 Å²	39	46.3 Å²	46.3	15%	0.153	23%	0.233	C	C	.	.	H	α-helix	trans	-114.5	-0.7	-167.1	-66.9	-55.5	0	0	0	114.2	E564 V667 R676 F736 F744	E564-Y740 PolarHBondContact OE1-OH 3.43Å; V667-Y740 HydrophobicContact CB-CE2 4.34Å; V667-Y740 HydrophobicContact CG2-CD2 4.21Å; V667-Y740 HydrophobicContact CG2-CE2 3.38Å; R676-Y740 VanDerWaalsContact CZ-CE2 3.5Å; R676-Y740 PolarHBondContact NH1-OH 2.91Å; R676-Y740 PolarHBondContact NH2-OH 3.27Å; F736-Y740 WeakPolarHBondContact O-CB 3.44Å; F736-Y740 PolarHBondContact O-N 2.97Å; Y740-F744 VanDerWaalsContact CB-CE2 3.42Å; Y740-F744 HydrophobicContact CD2-CD2 4.5Å; Y740-F744 AromaticContact CD2-CE2 3.75Å; Y740-F744 HydrophobicContact CD2-CE2 3.75Å; Y740-F744 HydrophobicContact CD2-CZ 4.23Å; Y740-F744 AromaticContact CG-CE2 3.95Å; Y740-F744 HydrophobicContact CG-CE2 3.95Å
741	G	92	Very high	96.4	Very high	30 Å²	30	47.3 Å²	47.3	31%	0.309	24%	0.238	S	C	.	.			trans	77.9	-154.4	174.5	0	0	0	0	0	114.4	E737 Q743 F744	E737-G741 WeakPolarHBondContact O-CA 3.37Å; E737-G741 PolarHBondContact O-N 2.89Å; G741-Q743 PolarHBondContact O-N 2.87Å; G741-F744 PolarHBondContact O-N 2.88Å
742	N	92.6	Very high	96.4	Very high	77 Å²	77	44.5 Å²	44.5	41%	0.412	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-64.3	-7.6	-164	74.5	-30.5	0	0	0	116.2	S609 F744 T745	S609-N742 PolarHBondContact OG-ND2 2.72Å; N742-F744 PolarHBondContact O-N 2.98Å; N742-T745 VanDerWaalsContact CA-OG1 3.27Å; N742-T745 WeakPolarHBondContact CA-OG1 3.46Å; N742-T745 PolarHBondContact O-N 3.42Å; N742-T745 PolarHBondContact O-OG1 2.75Å
743	Q	92.7	Very high	96.3	Very high	24 Å²	24	43 Å²	43	11%	0.112	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-60.9	-23	173.4	-71.4	165.4	5.8	0	0	112.8	S609 G612 R680 G741	S609-Q743 WeakPolarHBondContact O-CG 3.38Å; S609-Q743 PolarHBondContact O-NE2 2.8Å; G612-Q743 VanDerWaalsContact C-CD 3.43Å; G612-Q743 VanDerWaalsContact CA-NE2 3.3Å; G612-Q743 PolarHBondContact O-NE2 3.13Å; R680-Q743 PolarHBondContact NE-O 3.18Å; G741-Q743 PolarHBondContact O-N 2.87Å
744	F	96.8	Very high	96.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-113	9.4	-178.9	-61.7	-84.4	0	0	0	113	E557 R676 R680 M733 F736 E737 Y740 G741 N742 P746	E557-F744 WeakPolarHBondContact OE2-CZ 3.48Å; R676-F744 HydrophobicContact CB-CE1 4.08Å; R676-F744 HydrophobicContact CB-CZ 4.33Å; R676-F744 HydrophobicContact CG-CE1 4.1Å; R676-F744 HydrophobicContact CG-CZ 4.19Å; R680-F744 HydrophobicContact CG-CD1 3.68Å; R680-F744 HydrophobicContact CG-CE1 3.5Å; R680-F744 VanDerWaalsContact CG-CE1 3.5Å; R680-F744 HydrophobicContact CG-CZ 4.27Å; M733-F744 WeakPolarHBondContact CB-O 3.42Å; M733-F744 VanDerWaalsContact CE-O 3.23Å; M733-F744 WeakPolarHBondContact CE-O 3.29Å; F736-F744 HydrophobicContact CB-CB 3.93Å; F736-F744 HydrophobicContact CB-CD1 3.55Å; F736-F744 HydrophobicContact CB-CD2 3.88Å; F736-F744 HydrophobicContact CB-CE1 3.94Å; F736-F744 HydrophobicContact CB-CE2 4.27Å; F736-F744 HydrophobicContact CB-CG 3.5Å; F736-F744 VanDerWaalsContact CB-CG 3.5Å; F736-F744 HydrophobicContact CB-CZ 4.28Å; F736-F744 AromaticContact CD2-CD1 3.97Å; F736-F744 HydrophobicContact CD2-CD1 3.97Å; F736-F744 HydrophobicContact CD2-CE1 4.18Å; F736-F744 HydrophobicContact CG-CD1 4.18Å; F736-F744 HydrophobicContact CG-CE1 4.33Å; E737-F744 HydrophobicContact CB-CB 4.02Å; Y740-F744 VanDerWaalsContact CB-CE2 3.42Å; Y740-F744 HydrophobicContact CD2-CD2 4.5Å; Y740-F744 AromaticContact CD2-CE2 3.75Å; Y740-F744 HydrophobicContact CD2-CE2 3.75Å; Y740-F744 HydrophobicContact CD2-CZ 4.23Å; Y740-F744 AromaticContact CG-CE2 3.95Å; Y740-F744 HydrophobicContact CG-CE2 3.95Å; G741-F744 PolarHBondContact O-N 2.88Å; N742-F744 PolarHBondContact O-N 2.98Å; F744-P746 VanDerWaalsContact O-CD 3.27Å; F744-P746 WeakPolarHBondContact O-CD 3.32Å
745	T	97.4	Very high	96.1	Very high	50 Å²	50	47.8 Å²	47.8	31%	0.307	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-64.6	121.9	177.6	-53.4	0	0	0	0	110.3	N683 E737 N742	N683-T745 PolarHBondContact ND2-O 3.1Å; E737-T745 WeakPolarHBondContact OE1-CB 3.39Å; E737-T745 WeakPolarHBondContact OE1-CG2 3.31Å; E737-T745 PolarHBondContact OE1-OG1 3.42Å; N742-T745 VanDerWaalsContact CA-OG1 3.27Å; N742-T745 WeakPolarHBondContact CA-OG1 3.46Å; N742-T745 PolarHBondContact O-N 3.42Å; N742-T745 PolarHBondContact O-OG1 2.75Å
746	P	97.8	Very high	95.8	Very high	6 Å²	6	46.7 Å²	46.7	4%	0.039	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-62.7	136.3	174.9	-20.6	32.3	0	0	0	111.9	V730 M733 F744 L750 L751	V730-P746 HydrophobicContact CG1-CG 4.19Å; V730-P746 HydrophobicContact CG2-CB 4.15Å; V730-P746 HydrophobicContact CG2-CG 4.29Å; M733-P746 HydrophobicContact CB-CG 3.88Å; M733-P746 HydrophobicContact CE-CB 4.09Å; M733-P746 HydrophobicContact CE-CG 3.97Å; M733-P746 HydrophobicContact SD-CB 4.46Å; M733-P746 HydrophobicContact SD-CG 4.29Å; F744-P746 VanDerWaalsContact O-CD 3.27Å; F744-P746 WeakPolarHBondContact O-CD 3.32Å; P746-L750 HydrophobicContact CB-CD2 4.25Å; P746-L751 HydrophobicContact CB-CD2 3.87Å; P746-L751 HydrophobicContact CB-CG 4Å; P746-L751 HydrophobicContact CG-CD2 4.26Å
747	C	97.7	Very high	95.1	Very high	13 Å²	13	52.2 Å²	52.2	9%	0.088	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-67.4	161	172.5	65.2	0	0	0	0	111.7	N683 L687 L749 L750 L751	N683-C747 PolarHBondContact OD1-N 3.31Å; N683-C747 PolarHBondContact OD1-SG 3.46Å; L687-C747 HydrophobicContact CB-CB 4.07Å; L687-C747 HydrophobicContact CD1-CB 3.91Å; L687-C747 HydrophobicContact CG-CB 4.41Å; C747-L749 VanDerWaalsContact C-N 3.34Å; C747-L749 PolarHBondContact O-N 2.87Å; C747-L750 PolarHBondContact O-N 2.93Å; C747-L750 VanDerWaalsContact O-N 3.17Å; C747-L751 WeakPolarHBondContact O-CG 3.29Å; C747-L751 PolarHBondContact O-N 3.35Å
748	Q	98.1	Very high	94.6	Very high	95 Å²	95	54.7 Å²	54.7	44%	0.444	30%	0.303	S	S	.	.	H	α-helix	trans	-60.2	-43.1	-174.7	-172.7	58.4	51.5	0	0	112.3	Q690 L750 L751 D752	Q690-Q748 VanDerWaalsContact OE1-N 3.14Å; Q748-L750 VanDerWaalsContact C-N 3.3Å; Q748-L750 PolarHBondContact O-N 2.87Å; Q748-L751 WeakPolarHBondContact O-CB 3.48Å; Q748-L751 PolarHBondContact O-N 3.47Å; Q748-L751 VanDerWaalsContact O-N 3.15Å; Q748-D752 PolarHBondContact NE2-OD1 3.26Å; Q748-D752 PolarHBondContact O-N 3.43Å
749	L	97.6	Very high	94.3	Very high	39 Å²	39	53 Å²	53	20%	0.204	29%	0.289	C	S	.	.	H	α-helix	trans	-62.7	-37.4	179.4	-177.7	60.1	0	0	0	111.7	V686 L689 Q690 C747 D752 H753 F761	V686-L749 HydrophobicContact CG1-CB 3.9Å; V686-L749 HydrophobicContact CG1-CD2 3.87Å; V686-L749 HydrophobicContact CG1-CG 3.84Å; L689-L749 HydrophobicContact CB-CD2 4.33Å; L689-L749 HydrophobicContact CD2-CD2 4.09Å; L689-L749 HydrophobicContact CG-CD2 4.18Å; Q690-L749 HydrophobicContact CB-CB 3.96Å; Q690-L749 HydrophobicContact CB-CD2 4.03Å; Q690-L749 HydrophobicContact CG-CB 4.05Å; C747-L749 VanDerWaalsContact C-N 3.34Å; C747-L749 PolarHBondContact O-N 2.87Å; L749-D752 PolarHBondContact O-N 3.29Å; L749-H753 PolarHBondContact O-CD2 3.29Å; L749-H753 PolarHBondContact O-N 2.77Å; L749-H753 VanDerWaalsContact O-N 3.16Å; L749-F761 HydrophobicContact CD2-CE1 4.17Å; L749-F761 HydrophobicContact CG-CE1 4.36Å; L749-F761 HydrophobicContact CG-CZ 4.49Å
750	L	97.6	Very high	94.2	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-67.9	-40.5	174.8	-177.1	58.6	0	0	0	111.7	V686 V721 A726 L729 V730 M733 P746 C747 Q748 D752 H753 A754	V686-L750 HydrophobicContact CG1-CB 4.14Å; V721-L750 HydrophobicContact CG1-CD1 4.03Å; V721-L750 HydrophobicContact CG2-CD1 4.3Å; A726-L750 HydrophobicContact CB-CD1 4.29Å; L729-L750 HydrophobicContact CD2-CD1 4.28Å; L729-L750 HydrophobicContact CD2-CD2 4.1Å; L729-L750 HydrophobicContact CG-CD2 4.46Å; V730-L750 HydrophobicContact CG2-CD2 4.24Å; V730-L750 HydrophobicContact CG2-CG 3.85Å; M733-L750 HydrophobicContact CE-CD2 4.47Å; M733-L750 HydrophobicContact SD-CD2 3.7Å; P746-L750 HydrophobicContact CB-CD2 4.25Å; C747-L750 PolarHBondContact O-N 2.93Å; C747-L750 VanDerWaalsContact O-N 3.17Å; Q748-L750 VanDerWaalsContact C-N 3.3Å; Q748-L750 PolarHBondContact O-N 2.87Å; L750-D752 VanDerWaalsContact C-N 3.3Å; L750-D752 PolarHBondContact O-N 3.21Å; L750-H753 PolarHBondContact O-N 3.35Å; L750-A754 WeakPolarHBondContact O-CB 3.48Å; L750-A754 PolarHBondContact O-N 3.29Å
751	L	97.8	Very high	94.3	Very high	32 Å²	32	55.3 Å²	55.3	17%	0.168	30%	0.297	C	S	.	.	H	α-helix	trans	-62.1	-37.9	174	-67.3	171.7	0	0	0	112.1	V730 P746 C747 Q748 H753 A754 K755	V730-L751 HydrophobicContact CG1-CD2 3.89Å; V730-L751 HydrophobicContact CG2-CD2 4.23Å; P746-L751 HydrophobicContact CB-CD2 3.87Å; P746-L751 HydrophobicContact CB-CG 4Å; P746-L751 HydrophobicContact CG-CD2 4.26Å; C747-L751 WeakPolarHBondContact O-CG 3.29Å; C747-L751 PolarHBondContact O-N 3.35Å; Q748-L751 WeakPolarHBondContact O-CB 3.48Å; Q748-L751 PolarHBondContact O-N 3.47Å; Q748-L751 VanDerWaalsContact O-N 3.15Å; L751-H753 VanDerWaalsContact C-N 3.34Å; L751-A754 PolarHBondContact O-N 3.46Å; L751-K755 WeakPolarHBondContact O-CG 3.41Å; L751-K755 PolarHBondContact O-N 3.24Å; L751-K755 VanDerWaalsContact O-N 3.08Å
752	D	96.6	Very high	94.2	Very high	49 Å²	49	55.3 Å²	55.3	26%	0.262	29%	0.288	S	S	.	.	H	α-helix	trans	-67.4	-36	179	-66.8	-18.7	0	0	0	111.9	Q748 L749 L750	Q748-D752 PolarHBondContact NE2-OD1 3.26Å; Q748-D752 PolarHBondContact O-N 3.43Å; L749-D752 PolarHBondContact O-N 3.29Å; L750-D752 VanDerWaalsContact C-N 3.3Å; L750-D752 PolarHBondContact O-N 3.21Å
753	H	96	Very high	93.2	Very high	21 Å²	21	64.5 Å²	64.5	10%	0.097	33%	0.325	C	S	.	.	H	α-helix	trans	-72	-34.6	171.8	-81.2	-114.3	0	0	0	112.5	A726 L749 L750 L751 K755 D756 R759 F761	A726-H753 HydrophobicContact CB-CB 3.87Å; L749-H753 PolarHBondContact O-CD2 3.29Å; L749-H753 PolarHBondContact O-N 2.77Å; L749-H753 VanDerWaalsContact O-N 3.16Å; L750-H753 PolarHBondContact O-N 3.35Å; L751-H753 VanDerWaalsContact C-N 3.34Å; H753-K755 VanDerWaalsContact C-N 3.31Å; H753-K755 PolarHBondContact O-N 3.36Å; H753-D756 CarbonylContact O-C 3.2Å; H753-D756 PolarHBondContact O-N 3.24Å; H753-D756 VanDerWaalsContact O-O 3.08Å; H753-R759 PolarHBondContact ND1-O 2.94Å; H753-F761 AromaticContact CE1-CD1 3.79Å; H753-F761 AromaticContact CE1-CE1 3.66Å; H753-F761 AromaticContact CE1-CE2 3.94Å; H753-F761 AromaticContact CE1-CG 3.98Å; H753-F761 AromaticContact CE1-CZ 3.74Å; H753-F761 AromaticContact ND1-CE2 3.87Å; H753-F761 AromaticContact ND1-CZ 3.98Å; H753-F761 AromaticContact NE2-CE1 3.63Å; H753-F761 AromaticContact NE2-CZ 3.8Å
754	A	96.3	Very high	93.3	Very high	26 Å²	26	66.5 Å²	66.5	22%	0.215	34%	0.335	C	S	.	.	H	α-helix	trans	-67	-31	176.6	0	0	0	0	0	113.1	A726 V730 L750 L751 D756	A726-A754 HydrophobicContact CB-CB 4.25Å; V730-A754 HydrophobicContact CB-CB 4.15Å; V730-A754 HydrophobicContact CG2-CB 3.69Å; L750-A754 WeakPolarHBondContact O-CB 3.48Å; L750-A754 PolarHBondContact O-N 3.29Å; L751-A754 PolarHBondContact O-N 3.46Å; A754-D756 VanDerWaalsContact C-N 3.34Å
755	K	95.3	Very high	93.1	Very high	167 Å²	167	70 Å²	70	73%	0.726	35%	0.353	S	S	*	.	H	α-helix	trans	-73.5	-22.8	177.6	-73.7	173.3	-175.9	174	0	114	L751 H753	L751-K755 WeakPolarHBondContact O-CG 3.41Å; L751-K755 PolarHBondContact O-N 3.24Å; L751-K755 VanDerWaalsContact O-N 3.08Å; H753-K755 VanDerWaalsContact C-N 3.31Å; H753-K755 PolarHBondContact O-N 3.36Å
756	D	91.4	Very high	92.8	Very high	55 Å²	55	71.1 Å²	71.1	29%	0.294	36%	0.356	S	S	.	.			trans	-136.4	97	-173.6	-179.9	-1.6	0	0	0	109.7	H753 A754 S758 R759	H753-D756 CarbonylContact O-C 3.2Å; H753-D756 PolarHBondContact O-N 3.24Å; H753-D756 VanDerWaalsContact O-O 3.08Å; A754-D756 VanDerWaalsContact C-N 3.34Å; D756-S758 PolarHBondContact O-N 3.44Å; D756-S758 VanDerWaalsContact OD1-CB 3.32Å; D756-S758 WeakPolarHBondContact OD1-CB 3.4Å; D756-S758 PolarHBondContact OD1-N 3.12Å; D756-S758 PolarHBondContact OD1-OG 3.47Å; D756-S758 PolarHBondContact OD2-OG 3.45Å; D756-R759 HydrophobicContact CB-CG 4Å; D756-R759 WeakPolarHBondContact O-CB 3.44Å; D756-R759 PolarHBondContact O-N 3.33Å; D756-R759 WeakPolarHBondContact OD2-CG 3.41Å; D756-R759 IonicContact OD2-NE 3.25Å; D756-R759 PolarHBondContact OD2-NE 3.14Å; D756-R759 VanDerWaalsContact OD2-NE 3.13Å
757	S	81.9	Confident	92.6	Very high	116 Å²	116	74.9 Å²	74.9	81%	0.811	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-11	-178	59.8	0	0	0	0	114.2
758	S	86.9	Confident	92.2	Very high	93 Å²	93	78.8 Å²	78.8	65%	0.65	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-17.7	172	79.2	0	0	0	0	113	D756 K760	D756-S758 PolarHBondContact O-N 3.44Å; D756-S758 VanDerWaalsContact OD1-CB 3.32Å; D756-S758 WeakPolarHBondContact OD1-CB 3.4Å; D756-S758 PolarHBondContact OD1-N 3.12Å; D756-S758 PolarHBondContact OD1-OG 3.47Å; D756-S758 PolarHBondContact OD2-OG 3.45Å; S758-K760 PolarHBondContact O-N 3.2Å
759	R	90.8	Very high	91.8	Very high	133 Å²	133	77.7 Å²	77.7	50%	0.502	39%	0.389	S	S	.	.			trans	-81.7	110.4	178.2	-68.9	-179	-175.5	-155.6	-4.4	111.2	H753 D756	H753-R759 PolarHBondContact ND1-O 2.94Å; D756-R759 HydrophobicContact CB-CG 4Å; D756-R759 WeakPolarHBondContact O-CB 3.44Å; D756-R759 PolarHBondContact O-N 3.33Å; D756-R759 WeakPolarHBondContact OD2-CG 3.41Å; D756-R759 IonicContact OD2-NE 3.25Å; D756-R759 PolarHBondContact OD2-NE 3.14Å; D756-R759 VanDerWaalsContact OD2-NE 3.13Å
760	K	92.6	Very high	91.4	Very high	109 Å²	109	80.5 Å²	80.5	47%	0.474	40%	0.402	S	S	.	.			trans	-116.6	148.3	172.8	-62.4	-172.5	178.9	-175.1	0	110.8	D722 S758 H762	D722-K760 HydrophobicContact CB-CB 4.48Å; D722-K760 VanDerWaalsContact OD1-CA 3.27Å; D722-K760 WeakPolarHBondContact OD1-CA 3.39Å; S758-K760 PolarHBondContact O-N 3.2Å; K760-H762 VanDerWaalsContact C-N 3.34Å; K760-H762 WeakPolarHBondContact CB-O 3.41Å
761	F	93.9	Very high	91	Very high	27 Å²	27	86.7 Å²	86.7	12%	0.118	43%	0.433	C	S	.	.	S	Bend	trans	-68.7	-38	171.8	-70.2	-70.4	0	0	0	111.3	V686 L689 P697 F718 V721 D722 L749 H753	V686-F761 HydrophobicContact CG1-CE1 4.48Å; V686-F761 HydrophobicContact CG1-CZ 3.82Å; V686-F761 HydrophobicContact CG2-CE2 4.18Å; V686-F761 HydrophobicContact CG2-CZ 3.95Å; L689-F761 HydrophobicContact CD2-CD1 3.91Å; L689-F761 HydrophobicContact CD2-CE1 3.78Å; P697-F761 HydrophobicContact CB-CB 3.96Å; P697-F761 HydrophobicContact CB-CD1 4.32Å; P697-F761 HydrophobicContact CB-CG 4.44Å; P697-F761 HydrophobicContact CG-CB 4.26Å; F718-F761 HydrophobicContact CB-CB 3.98Å; F718-F761 HydrophobicContact CB-CD2 4.17Å; F718-F761 HydrophobicContact CB-CG 4.07Å; F718-F761 HydrophobicContact CD1-CB 4.32Å; F718-F761 AromaticContact CD1-CD1 3.63Å; F718-F761 HydrophobicContact CD1-CD1 3.63Å; F718-F761 AromaticContact CD1-CD2 3.95Å; F718-F761 HydrophobicContact CD1-CD2 3.95Å; F718-F761 AromaticContact CD1-CE1 3.84Å; F718-F761 HydrophobicContact CD1-CE1 3.84Å; F718-F761 HydrophobicContact CD1-CE2 4.13Å; F718-F761 AromaticContact CD1-CG 3.7Å; F718-F761 HydrophobicContact CD1-CG 3.7Å; F718-F761 HydrophobicContact CD1-CZ 4.08Å; F718-F761 HydrophobicContact CE1-CD1 4.25Å; F718-F761 HydrophobicContact CE1-CE1 4.13Å; F718-F761 HydrophobicContact CE1-CZ 4.46Å; F718-F761 HydrophobicContact CG-CG 4.38Å; V721-F761 HydrophobicContact CB-CD2 4.22Å; V721-F761 HydrophobicContact CB-CE2 4.03Å; V721-F761 HydrophobicContact CG1-CD2 4.27Å; V721-F761 HydrophobicContact CG1-CE2 3.83Å; V721-F761 HydrophobicContact CG2-CE2 4.43Å; D722-F761 PolarHBondContact OD1-N 3.15Å; D722-F761 PolarHBondContact OD2-N 3.29Å; L749-F761 HydrophobicContact CD2-CE1 4.17Å; L749-F761 HydrophobicContact CG-CE1 4.36Å; L749-F761 HydrophobicContact CG-CZ 4.49Å; H753-F761 AromaticContact CE1-CD1 3.79Å; H753-F761 AromaticContact CE1-CE1 3.66Å; H753-F761 AromaticContact CE1-CE2 3.94Å; H753-F761 AromaticContact CE1-CG 3.98Å; H753-F761 AromaticContact CE1-CZ 3.74Å; H753-F761 AromaticContact ND1-CE2 3.87Å; H753-F761 AromaticContact ND1-CZ 3.98Å; H753-F761 AromaticContact NE2-CE1 3.63Å; H753-F761 AromaticContact NE2-CZ 3.8Å
762	H	90.3	Very high	90.4	Very high	29 Å²	29	91.3 Å²	91.3	13%	0.134	46%	0.455	C	S	.	.			trans	-109.4	121.7	174.1	-61.1	-92.2	0	0	0	110.3	D701 R719 D722 K760	D701-H762 IonicContact OD2-CD2 3.09Å; D701-H762 IonicContact OD2-CE1 2.81Å; D701-H762 PolarHBondContact OD2-CE1 2.93Å; D701-H762 IonicContact OD2-NE2 3.84Å; D701-H762 PolarHBondContact OD2-NE2 3.2Å; R719-H762 PolarHBondContact NE-CD2 3.02Å; R719-H762 PolarHBondContact NH2-ND1 2.79Å; R719-H762 VanDerWaalsContact NH2-ND1 3.13Å; D722-H762 IonicContact OD2-CD2 2.84Å; D722-H762 PolarHBondContact OD2-CD2 2.85Å; D722-H762 IonicContact OD2-CG 3.87Å; D722-H762 PolarHBondContact OD2-N 3.43Å; K760-H762 VanDerWaalsContact C-N 3.34Å; K760-H762 WeakPolarHBondContact CB-O 3.41Å
763	K	72.6	Confident	89.8	Confident	270 Å²	270	95.1 Å²	95.1	100%	1.174	47%	0.472	S	S	*	.			trans	-88.4	0	176	-67.9	-174	178.7	-177.6	0	112

Retrieved 763 of 763 residues in 960.3 ms (Link to these results)

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