A0A077Z8W9_TRITR Loading...

Xaa Pro aminopeptidase 3

AlphaFold DB , UniProt , Accession A0A077Z8W9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 644 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	35.6	Very low	30.5	Very low	241 Å²	241	149.6 Å²	149.6	100%	1.187	82%	0.818	S	S	*	*				0	134.2	0	-85.4	-177	-106.3	0	0	106.9
2	H	35.8	Very low	30.3	Very low	186 Å²	186	149.8 Å²	149.8	86%	0.861	82%	0.816	S	S	*	*			trans	-38.5	126.6	-162.1	-64.4	-73.4	0	0	0	117.2	V4	H2-V4 PolarHBondContact O-N 2.61Å
3	D	33.4	Very low	30.2	Very low	168 Å²	168	147.4 Å²	147.4	90%	0.898	81%	0.812	S	S	*	*			trans	-67	114.6	166.7	-75.6	-41.2	0	0	0	109.8	A5	D3-A5 PolarHBondContact O-N 3.46Å
4	V	34.4	Very low	30.1	Very low	128 Å²	128	151 Å²	151	78%	0.776	82%	0.816	S	S	*	*			trans	-79.7	102.8	177.8	176.7	0	0	0	0	108.4	H2 I6	H2-V4 PolarHBondContact O-N 2.61Å; V4-I6 PolarHBondContact O-N 2.51Å
5	A	32.1	Very low	30	Very low	93 Å²	93	151.8 Å²	151.8	77%	0.769	82%	0.82	S	S	*	*			trans	-71.6	110.1	170.9	0	0	0	0	0	110.2	D3 S7	D3-A5 PolarHBondContact O-N 3.46Å; A5-S7 PolarHBondContact O-N 3.46Å
6	I	29.4	Very low	29.7	Very low	147 Å²	147	149.4 Å²	149.4	75%	0.754	82%	0.818	S	S	*	*			trans	-77.6	102.2	173.6	-62	173.8	0	0	0	108.2	V4 I8	V4-I6 PolarHBondContact O-N 2.51Å; I6-I8 HydrophobicContact CG2-CG1 4.18Å
7	S	27.2	Very low	29.8	Very low	105 Å²	105	147.7 Å²	147.7	73%	0.734	82%	0.819	S	S	*	*			trans	-81.7	113.1	167	-89.8	0	0	0	0	110.1	A5 H9	A5-S7 PolarHBondContact O-N 3.46Å; S7-H9 PolarHBondContact O-N 2.97Å
8	I	27.6	Very low	29.8	Very low	142 Å²	142	145.9 Å²	145.9	73%	0.728	82%	0.819	S	S	*	*			trans	-86.4	103.6	170.8	-59.8	176.8	0	0	0	107.6	I6 V10	I6-I8 HydrophobicContact CG2-CG1 4.18Å; I8-V10 HydrophobicContact CG2-CG2 3.99Å; I8-V10 PolarHBondContact O-N 2.99Å
9	H	25.1	Very low	29.7	Very low	169 Å²	169	146.1 Å²	146.1	78%	0.782	82%	0.817	S	S	*	*			trans	-79	103.3	168.2	-88.7	5.9	0	0	0	109.9	S7 N11	S7-H9 PolarHBondContact O-N 2.97Å; H9-N11 PolarHBondContact O-N 2.72Å
10	V	27.2	Very low	29.7	Very low	114 Å²	114	151.4 Å²	151.4	69%	0.691	82%	0.823	S	S	*	*			trans	-88.6	100.8	165.2	-174.9	0	0	0	0	107.8	I8 L12	I8-V10 HydrophobicContact CG2-CG2 3.99Å; I8-V10 PolarHBondContact O-N 2.99Å; V10-L12 PolarHBondContact O-N 3.13Å
11	N	28.1	Very low	29.8	Very low	153 Å²	153	149.3 Å²	149.3	82%	0.818	82%	0.816	S	S	*	*			trans	-68.2	105.7	168.5	-90.9	-37.8	0	0	0	109.1	H9	H9-N11 PolarHBondContact O-N 2.72Å
12	L	27.3	Very low	29.4	Very low	151 Å²	151	144.8 Å²	144.8	79%	0.791	80%	0.796	S	S	*	*			trans	-80	130.9	167.7	-75.4	167.1	0	0	0	109.8	V10 K14	V10-L12 PolarHBondContact O-N 3.13Å; L12-K14 PolarHBondContact O-N 2.85Å
13	P	28.7	Very low	29.3	Very low	119 Å²	119	145.9 Å²	145.9	77%	0.773	80%	0.798	S	S	*	*			trans	-69.5	126.4	-174.7	25.7	-31.4	0	0	0	111.8	N15	P13-N15 PolarHBondContact O-N 2.99Å; P13-N15 VanDerWaalsContact O-N 3.17Å
14	K	29.4	Very low	29.3	Very low	198 Å²	198	147.7 Å²	147.7	86%	0.861	79%	0.794	S	S	*	*	S	Bend	trans	-72.3	95.7	165.3	-67.8	177.4	178.7	177.7	0	108.6	L12	L12-K14 PolarHBondContact O-N 2.85Å
15	N	28	Very low	29.8	Very low	163 Å²	163	145.7 Å²	145.7	87%	0.872	79%	0.786	S	S	*	*			trans	161	87.6	148.4	-86.3	-19.3	0	0	0	110.7	P13	P13-N15 PolarHBondContact O-N 2.99Å; P13-N15 VanDerWaalsContact O-N 3.17Å
16	S	26	Very low	31.5	Very low	114 Å²	114	145.5 Å²	145.5	80%	0.797	78%	0.779	S	S	*	*			trans	-162	93.8	153.6	67.2	0	0	0	0	111.4
17	S	31.1	Very low	34	Very low	120 Å²	120	141.1 Å²	141.1	84%	0.839	76%	0.759	S	S	*	*			trans	-142.4	42.8	152.3	54.7	0	0	0	0	110.3	L19	S17-L19 PolarHBondContact O-N 3.33Å
18	S	30.6	Very low	36.9	Very low	116 Å²	116	139.2 Å²	139.2	81%	0.811	74%	0.74	S	S	*	*			trans	-88.6	59.3	152.8	167.8	0	0	0	0	108.3
19	L	26.8	Very low	39.9	Very low	148 Å²	148	134.7 Å²	134.7	78%	0.775	72%	0.716	S	S	*	*			trans	-140.6	64.4	166.4	-74.7	174.1	0	0	0	106.8	S17 T21	S17-L19 PolarHBondContact O-N 3.33Å; L19-T21 PolarHBondContact O-N 3.45Å
20	R	29.9	Very low	43.1	Very low	252 Å²	252	126.7 Å²	126.7	95%	0.951	68%	0.679	S	S	*	*			trans	-68.2	86.3	152.1	-80	-171.7	177.5	-158.1	-0.4	105.7	L22	R20-L22 PolarHBondContact O-N 3.36Å
21	T	31.1	Very low	46.3	Very low	109 Å²	109	123.8 Å²	123.8	67%	0.669	66%	0.662	S	S	*	*			trans	-48.5	128.5	170.1	-53.1	0	0	0	0	108.8	L19 F23	L19-T21 PolarHBondContact O-N 3.45Å; T21-F23 PolarHBondContact O-N 2.87Å
22	L	27.9	Very low	49.5	Very low	145 Å²	145	116.6 Å²	116.6	76%	0.759	62%	0.624	S	S	*	*			trans	-43.7	106.8	170.4	-71.4	129.6	0	0	0	110.1	R20 Y24	R20-L22 PolarHBondContact O-N 3.36Å; L22-Y24 VanDerWaalsContact C-N 3.29Å; L22-Y24 HydrophobicContact CB-CD2 4.47Å; L22-Y24 PolarHBondContact O-N 3.13Å
23	F	34.3	Very low	52.7	Low	209 Å²	209	112.6 Å²	112.6	92%	0.917	60%	0.601	S	S	*	*			trans	-65.2	96.4	159.1	-80.2	-85	0	0	0	106.6	T21 S25	T21-F23 PolarHBondContact O-N 2.87Å; F23-S25 PolarHBondContact O-N 3.22Å
24	Y	32.7	Very low	55.9	Low	206 Å²	206	107.5 Å²	107.5	81%	0.808	57%	0.567	S	S	*	*			trans	-64.1	96.9	157.7	-92.2	-89.6	0	0	0	106.6	L22 S26	L22-Y24 VanDerWaalsContact C-N 3.29Å; L22-Y24 HydrophobicContact CB-CD2 4.47Å; L22-Y24 PolarHBondContact O-N 3.13Å; Y24-S26 VanDerWaalsContact C-N 3.3Å; Y24-S26 PolarHBondContact O-N 3.44Å
25	S	44.7	Very low	59	Low	87 Å²	87	98.1 Å²	98.1	61%	0.608	53%	0.526	S	S	*	.			trans	-62.6	96.3	160.1	163.8	0	0	0	0	106.6	F23 V27	F23-S25 PolarHBondContact O-N 3.22Å; S25-V27 PolarHBondContact O-N 2.89Å
26	S	68	Low	62.1	Low	89 Å²	89	90.4 Å²	90.4	62%	0.622	48%	0.484	S	S	*	.			trans	-80.1	108.7	171.5	57	0	0	0	0	108	Y24	Y24-S26 VanDerWaalsContact C-N 3.3Å; Y24-S26 PolarHBondContact O-N 3.44Å
27	V	82.3	Confident	65.1	Low	55 Å²	55	88.2 Å²	88.2	33%	0.333	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-67.5	129.3	169.2	-178.8	0	0	0	0	108.8	S25 Q74 E76	S25-V27 PolarHBondContact O-N 2.89Å; V27-Q74 HydrophobicContact CG1-CG 4.07Å; V27-Q74 HydrophobicContact CG2-CB 4.43Å; V27-Q74 HydrophobicContact CG2-CG 4.03Å; V27-E76 HydrophobicContact CG1-CB 3.75Å; V27-E76 HydrophobicContact CG1-CG 3.59Å
28	L	88.6	Confident	67.7	Low	64 Å²	64	88.8 Å²	88.8	34%	0.335	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	154	178	-67.8	-165.9	0	0	0	111.9	Q74 Y75 E76	L28-Q74 PolarHBondContact N-O 3.07Å; L28-Y75 HydrophobicContact CB-CD1 3.71Å; L28-Y75 HydrophobicContact CB-CE1 3.72Å; L28-Y75 HydrophobicContact CD1-CE1 3.89Å; L28-Y75 HydrophobicContact CG-CE1 4.44Å; L28-Y75 CarbonylContact O-C 3.47Å; L28-Y75 VanDerWaalsContact O-CA 3.24Å; L28-Y75 WeakPolarHBondContact O-CA 3.27Å; L28-E76 PolarHBondContact O-N 3.14Å
29	H	89.8	Confident	70.5	Confident	48 Å²	48	87 Å²	87	22%	0.222	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	124.8	171.1	-154.1	-61.8	0	0	0	110.5	E76 W123 W124	H29-E76 CarbonylContact C-O 3.6Å; H29-E76 VanDerWaalsContact CA-O 3.3Å; H29-E76 WeakPolarHBondContact CA-O 3.39Å; H29-W123 HydrophobicContact CB-CH2 4.22Å; H29-W123 HydrophobicContact CB-CZ2 4.02Å; H29-W124 HydrophobicContact CB-CG 4.46Å; H29-W124 AromaticContact CD2-CD1 3.66Å; H29-W124 AromaticContact CD2-CE2 3.87Å; H29-W124 AromaticContact CD2-NE1 3.51Å; H29-W124 AromaticContact CE1-CD1 3.79Å; H29-W124 AromaticContact CE1-CD2 3.05Å; H29-W124 AromaticContact CE1-CE2 3.17Å; H29-W124 AromaticContact CE1-CE3 3.32Å; H29-W124 AromaticContact CE1-CG 3.51Å; H29-W124 AromaticContact CE1-CH2 3.8Å; H29-W124 AromaticContact CE1-CZ2 3.57Å; H29-W124 AromaticContact CE1-CZ3 3.69Å; H29-W124 AromaticContact CE1-NE1 3.6Å; H29-W124 AromaticContact CG-CD1 3.57Å; H29-W124 AromaticContact CG-CG 3.68Å; H29-W124 AromaticContact CG-NE1 3.89Å; H29-W124 AromaticContact ND1-CD1 3.66Å; H29-W124 AromaticContact ND1-CD2 3.37Å; H29-W124 AromaticContact ND1-CE2 3.82Å; H29-W124 AromaticContact ND1-CE3 3.79Å; H29-W124 AromaticContact ND1-CG 3.3Å; H29-W124 VanDerWaalsContact ND1-CG 3.3Å; H29-W124 AromaticContact ND1-NE1 3.94Å; H29-W124 AromaticContact NE2-CD1 3.8Å; H29-W124 AromaticContact NE2-CD2 3.6Å; H29-W124 AromaticContact NE2-CE2 3.18Å; H29-W124 AromaticContact NE2-CG 3.98Å; H29-W124 AromaticContact NE2-CZ2 3.45Å; H29-W124 WeakPolarHBondContact NE2-CZ2 3.39Å; H29-W124 AromaticContact NE2-NE1 3.31Å; H29-W124 PolarHBondContact NE2-NE1 3.16Å
30	A	92.8	Very high	73.6	Confident	0 Å²	0	81.7 Å²	81.7	0%	0	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-67.5	133.3	175.4	0	0	0	0	0	109.8	I45 V47 F64 Y75 E76 A77	A30-I45 HydrophobicContact CB-CG2 3.99Å; A30-V47 HydrophobicContact CB-CG2 3.76Å; A30-F64 HydrophobicContact CB-CD1 3.92Å; A30-F64 HydrophobicContact CB-CE1 3.79Å; A30-Y75 HydrophobicContact CB-CD1 4.41Å; A30-E76 PolarHBondContact N-O 2.78Å; A30-A77 HydrophobicContact CB-CB 3.9Å
31	P	93.4	Very high	76.6	Confident	54 Å²	54	69.7 Å²	69.7	35%	0.351	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-67.6	136.1	170.7	-15	28.7	0	0	0	110.4	C46	P31-C46 HydrophobicContact CB-CB 4.22Å; P31-C46 PolarHBondContact O-N 2.9Å
32	V	95.7	Very high	79.7	Confident	1 Å²	1	66.8 Å²	66.8	1%	0.006	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	131.2	-178.7	178.2	0	0	0	0	109.7	V43 T44 I45 A77 L115 W124 C125 K126	V32-V43 HydrophobicContact CG1-CG1 3.68Å; V32-T44 CarbonylContact C-O 3.55Å; V32-T44 VanDerWaalsContact CA-O 3.31Å; V32-T44 WeakPolarHBondContact CA-O 3.44Å; V32-I45 HydrophobicContact CG2-CG1 4.48Å; V32-A77 HydrophobicContact CG2-CB 4.05Å; V32-L115 HydrophobicContact CG1-CD2 4.36Å; V32-W124 HydrophobicContact CB-CE3 4.19Å; V32-W124 HydrophobicContact CB-CZ3 4.28Å; V32-W124 HydrophobicContact CG2-CE3 4.14Å; V32-W124 HydrophobicContact CG2-CZ3 4.17Å; V32-W124 PolarHBondContact N-O 3.23Å; V32-C125 CarbonylContact O-C 3.55Å; V32-C125 VanDerWaalsContact O-CA 3.28Å; V32-C125 WeakPolarHBondContact O-CA 3.42Å; V32-K126 PolarHBondContact O-N 3.09Å
33	E	95.7	Very high	82.9	Confident	67 Å²	67	59.9 Å²	59.9	31%	0.313	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	143.6	170.1	-60.1	179.3	165.2	0	0	109.8	T44 K126 D128	E33-T44 PolarHBondContact N-O 3.12Å; E33-T44 PolarHBondContact O-N 3.04Å; E33-K126 CarbonylContact C-O 3.49Å; E33-K126 VanDerWaalsContact CA-O 3.23Å; E33-K126 WeakPolarHBondContact CA-O 3.46Å; E33-D128 HydrophobicContact CB-CB 4.01Å
34	W	95.9	Very high	85.8	Confident	13 Å²	13	50 Å²	50	5%	0.049	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	149.8	180	85.5	-70.2	0	0	0	113.7	Q36 Y42 W112 R114 L115 K126 I127 D128	W34-Q36 HydrophobicContact CZ3-CB 4.07Å; W34-Q36 HydrophobicContact CZ3-CG 4.29Å; W34-Y42 WeakPolarHBondContact CA-O 3.03Å; W34-Y42 WeakPolarHBondContact CB-O 3.11Å; W34-W112 HydrophobicContact CH2-CB 4.39Å; W34-R114 VanDerWaalsContact CH2-C 3.42Å; W34-R114 VanDerWaalsContact CZ2-C 3.47Å; W34-R114 VanDerWaalsContact CZ2-CA 3.5Å; W34-L115 HydrophobicContact CB-CB 4.46Å; W34-L115 HydrophobicContact CB-CD1 4.31Å; W34-L115 HydrophobicContact CB-CD2 3.86Å; W34-L115 HydrophobicContact CB-CG 4.44Å; W34-L115 HydrophobicContact CD2-CB 3.56Å; W34-L115 HydrophobicContact CD2-CD1 4.14Å; W34-L115 HydrophobicContact CD2-CG 4.29Å; W34-L115 HydrophobicContact CE3-CB 3.91Å; W34-L115 HydrophobicContact CE3-CD1 3.81Å; W34-L115 HydrophobicContact CE3-CG 4.42Å; W34-L115 HydrophobicContact CG-CB 3.76Å; W34-L115 HydrophobicContact CG-CD1 4.33Å; W34-L115 HydrophobicContact CG-CD2 4.02Å; W34-L115 HydrophobicContact CG-CG 4.25Å; W34-L115 HydrophobicContact CZ2-CB 4.38Å; W34-L115 VanDerWaalsContact CZ2-N 3.28Å; W34-L115 HydrophobicContact CZ3-CB 4.41Å; W34-K126 VanDerWaalsContact CD1-O 3.25Å; W34-K126 PolarHBondContact N-O 3.23Å; W34-I127 CarbonylContact O-C 3.42Å; W34-I127 WeakPolarHBondContact O-CA 3.17Å; W34-D128 PolarHBondContact O-N 3.31Å
35	A	93.5	Very high	88.8	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	172.1	169.6	0	0	0	0	0	108.6	Y42 D128 K131	A35-Y42 HydrophobicContact CB-CD2 4.21Å; A35-Y42 PolarHBondContact N-O 3.05Å; A35-Y42 VanDerWaalsContact N-O 3.09Å; A35-Y42 PolarHBondContact O-N 2.56Å; A35-D128 HydrophobicContact CB-CB 4.21Å; A35-K131 HydrophobicContact CB-CB 3.56Å
36	Q	92.9	Very high	91.1	Very high	1 Å²	1	38 Å²	38	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	162.5	179.4	70.6	-176.7	-50.4	0	0	112.4	W34 L40 I41 F111 W112	W34-Q36 HydrophobicContact CZ3-CB 4.07Å; W34-Q36 HydrophobicContact CZ3-CG 4.29Å; Q36-L40 WeakPolarHBondContact CA-O 3.38Å; Q36-I41 HydrophobicContact CB-CG2 4.11Å; Q36-F111 HydrophobicContact CG-CD1 3.32Å; Q36-F111 HydrophobicContact CG-CE1 3.49Å; Q36-F111 VanDerWaalsContact CG-CE1 3.49Å; Q36-F111 HydrophobicContact CG-CG 4.04Å; Q36-F111 HydrophobicContact CG-CZ 4.34Å; Q36-W112 PolarHBondContact NE2-O 3.06Å
37	R	88.8	Confident	92.2	Very high	68 Å²	68	34 Å²	34	26%	0.257	17%	0.169	S	C	.	.			trans	-122.6	-175.6	160.9	-62.4	-73.1	176.3	-83.5	3	107.7	D39 L40 Y42 K105 K131	R37-D39 VanDerWaalsContact C-N 3.29Å; R37-D39 PolarHBondContact O-N 3.46Å; R37-L40 HydrophobicContact CB-CD1 3.7Å; R37-L40 HydrophobicContact CB-CG 3.9Å; R37-L40 HydrophobicContact CG-CD1 3.61Å; R37-L40 HydrophobicContact CG-CG 4.23Å; R37-L40 PolarHBondContact N-O 3.34Å; R37-Y42 HydrophobicContact CG-CE2 4.01Å; R37-K105 PolarHBondContact O-NZ 3.4Å; R37-K105 VanDerWaalsContact O-NZ 3.09Å; R37-K131 VanDerWaalsContact CZ-O 3.26Å; R37-K131 PolarHBondContact NH1-O 3.29Å; R37-K131 PolarHBondContact NH2-O 2.98Å
38	K	85.2	Confident	92.4	Very high	132 Å²	132	37.3 Å²	37.3	57%	0.574	18%	0.181	S	C	*	.	S	Bend	trans	-49.1	-50.3	175.2	-167.4	178.2	179.3	177.6	0	112.2	K105	K38-K105 PolarHBondContact O-NZ 3.46Å
39	D	89.6	Confident	92.4	Very high	78 Å²	78	36.8 Å²	36.8	42%	0.417	18%	0.179	S	C	.	.	S	Bend	trans	-110.2	-3.9	-170.3	-56.3	-37.2	0	0	0	115.1	R37 K105 S108	R37-D39 VanDerWaalsContact C-N 3.29Å; R37-D39 PolarHBondContact O-N 3.46Å; D39-K105 PolarHBondContact O-N 3.09Å; D39-S108 WeakPolarHBondContact OD1-CB 3.27Å; D39-S108 PolarHBondContact OD1-OG 3.31Å
40	L	92.7	Very high	92.3	Very high	37 Å²	37	35.2 Å²	35.2	19%	0.194	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	158.6	-173.5	57.9	78.5	0	0	0	112.7	Q36 R37 Y42 V102 I103	Q36-L40 WeakPolarHBondContact CA-O 3.38Å; R37-L40 HydrophobicContact CB-CD1 3.7Å; R37-L40 HydrophobicContact CB-CG 3.9Å; R37-L40 HydrophobicContact CG-CD1 3.61Å; R37-L40 HydrophobicContact CG-CG 4.23Å; R37-L40 PolarHBondContact N-O 3.34Å; L40-Y42 HydrophobicContact CD1-CD2 3.78Å; L40-Y42 HydrophobicContact CD1-CE1 4.12Å; L40-Y42 HydrophobicContact CD1-CE2 3.19Å; L40-Y42 HydrophobicContact CD1-CG 4.46Å; L40-V102 HydrophobicContact CB-CG1 4.38Å; L40-V102 HydrophobicContact CD1-CG1 4.38Å; L40-V102 HydrophobicContact CD2-CG1 4.11Å; L40-I103 CarbonylContact C-O 3.52Å; L40-I103 WeakPolarHBondContact CA-O 3.22Å
41	I	93.9	Very high	91.8	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	142	168.2	63.3	176.4	0	0	0	109.2	Q36 V43 F81 V85 I103 K105 W112 L115	Q36-I41 HydrophobicContact CB-CG2 4.11Å; I41-V43 HydrophobicContact CD1-CG2 4.17Å; I41-V43 HydrophobicContact CG1-CG2 4.38Å; I41-F81 HydrophobicContact CD1-CD1 3.91Å; I41-F81 HydrophobicContact CD1-CE1 3.75Å; I41-F81 HydrophobicContact CD1-CZ 4.36Å; I41-V85 HydrophobicContact CD1-CG1 3.89Å; I41-I103 HydrophobicContact CD1-CB 4.22Å; I41-I103 HydrophobicContact CD1-CD1 4.4Å; I41-I103 HydrophobicContact CD1-CG2 4.49Å; I41-I103 HydrophobicContact CG1-CB 3.74Å; I41-I103 HydrophobicContact CG1-CG2 4.39Å; I41-I103 PolarHBondContact N-O 3.03Å; I41-I103 PolarHBondContact O-N 3.18Å; I41-K105 HydrophobicContact CG2-CG 4.3Å; I41-W112 HydrophobicContact CD1-CH2 4.34Å; I41-W112 HydrophobicContact CD1-CZ3 3.97Å; I41-W112 HydrophobicContact CG2-CE3 4.13Å; I41-W112 HydrophobicContact CG2-CH2 4.49Å; I41-W112 HydrophobicContact CG2-CZ3 4.04Å; I41-L115 HydrophobicContact CD1-CD1 4.05Å
42	Y	95.1	Very high	91.4	Very high	48 Å²	48	46.9 Å²	46.9	19%	0.188	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	127	168	-60.5	-82.1	0	0	0	107.8	W34 A35 R37 L40 L101 V102 K131	W34-Y42 WeakPolarHBondContact CA-O 3.03Å; W34-Y42 WeakPolarHBondContact CB-O 3.11Å; A35-Y42 HydrophobicContact CB-CD2 4.21Å; A35-Y42 PolarHBondContact N-O 3.05Å; A35-Y42 VanDerWaalsContact N-O 3.09Å; A35-Y42 PolarHBondContact O-N 2.56Å; R37-Y42 HydrophobicContact CG-CE2 4.01Å; L40-Y42 HydrophobicContact CD1-CD2 3.78Å; L40-Y42 HydrophobicContact CD1-CE1 4.12Å; L40-Y42 HydrophobicContact CD1-CE2 3.19Å; L40-Y42 HydrophobicContact CD1-CG 4.46Å; Y42-L101 CarbonylContact C-O 3.45Å; Y42-L101 WeakPolarHBondContact CA-O 3.42Å; Y42-V102 HydrophobicContact CD1-CB 4.45Å; Y42-V102 HydrophobicContact CD1-CG1 4.17Å; Y42-V102 HydrophobicContact CD1-CG2 3.82Å; Y42-V102 HydrophobicContact CE1-CB 4.48Å; Y42-V102 HydrophobicContact CE1-CG1 3.9Å; Y42-V102 HydrophobicContact CE1-CG2 3.84Å; Y42-K131 HydrophobicContact CD1-CD 3.94Å; Y42-K131 HydrophobicContact CD2-CB 4.45Å; Y42-K131 HydrophobicContact CD2-CD 4.21Å; Y42-K131 HydrophobicContact CE1-CD 4.45Å; Y42-K131 HydrophobicContact CG-CD 3.82Å
43	V	95.5	Very high	91.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	116.4	173	-175.5	0	0	0	0	108.2	V32 I41 L62 F81 L101 I103 L115	V32-V43 HydrophobicContact CG1-CG1 3.68Å; I41-V43 HydrophobicContact CD1-CG2 4.17Å; I41-V43 HydrophobicContact CG1-CG2 4.38Å; V43-L62 HydrophobicContact CB-CD2 4.39Å; V43-L62 HydrophobicContact CG1-CD2 3.71Å; V43-F81 HydrophobicContact CG2-CE1 4.35Å; V43-L101 HydrophobicContact CB-CB 4.4Å; V43-L101 PolarHBondContact N-O 3.13Å; V43-L101 PolarHBondContact O-N 3.02Å; V43-I103 HydrophobicContact CG2-CD1 4.27Å; V43-L115 HydrophobicContact CG2-CD1 4.1Å; V43-L115 HydrophobicContact CG2-CD2 4.43Å
44	T	95.7	Very high	90.9	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.012	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	121.6	178.7	-62.3	0	0	0	0	109.2	V32 E33 K98 I99 Q100	V32-T44 CarbonylContact C-O 3.55Å; V32-T44 VanDerWaalsContact CA-O 3.31Å; V32-T44 WeakPolarHBondContact CA-O 3.44Å; E33-T44 PolarHBondContact N-O 3.12Å; E33-T44 PolarHBondContact O-N 3.04Å; T44-K98 HydrophobicContact CG2-CB 4.03Å; T44-K98 HydrophobicContact CG2-CD 3.77Å; T44-K98 HydrophobicContact CG2-CG 4.35Å; T44-I99 CarbonylContact C-O 3.58Å; T44-I99 WeakPolarHBondContact CA-O 3.28Å; T44-Q100 HydrophobicContact CG2-CG 3.98Å; T44-Q100 PolarHBondContact OG1-NE2 2.7Å
45	I	95.1	Very high	90.7	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	116.4	172.4	-60.6	161.8	0	0	0	107.9	A30 V32 V47 I55 F64 K98 I99	A30-I45 HydrophobicContact CB-CG2 3.99Å; V32-I45 HydrophobicContact CG2-CG1 4.48Å; I45-V47 HydrophobicContact CG2-CG2 3.9Å; I45-V47 PolarHBondContact O-N 2.76Å; I45-I55 HydrophobicContact CD1-CD1 4.44Å; I45-F64 HydrophobicContact CD1-CB 3.69Å; I45-F64 HydrophobicContact CD1-CD2 3.68Å; I45-F64 HydrophobicContact CD1-CE2 4.46Å; I45-F64 HydrophobicContact CD1-CG 3.73Å; I45-F64 HydrophobicContact CG2-CD1 4.01Å; I45-F64 HydrophobicContact CG2-CD2 4.18Å; I45-F64 HydrophobicContact CG2-CE1 3.9Å; I45-F64 HydrophobicContact CG2-CE2 4.05Å; I45-F64 HydrophobicContact CG2-CG 4.16Å; I45-F64 HydrophobicContact CG2-CZ 3.91Å; I45-K98 WeakPolarHBondContact O-CA 3.37Å; I45-I99 HydrophobicContact CB-CB 4.36Å; I45-I99 PolarHBondContact N-O 2.88Å; I45-I99 PolarHBondContact O-N 3.44Å
46	C	92.4	Very high	90.7	Very high	39 Å²	39	56.3 Å²	56.3	26%	0.264	27%	0.272	S	S	.	.			trans	-93.9	65.9	-172.3	-60.5	0	0	0	0	111.2	P31	P31-C46 HydrophobicContact CB-CB 4.22Å; P31-C46 PolarHBondContact O-N 2.9Å
47	V	90.7	Very high	90.6	Very high	5 Å²	5	57.7 Å²	57.7	3%	0.03	28%	0.279	C	S	.	.			trans	-116.1	115.1	172.8	-176.2	0	0	0	0	109	A30 I45 C50 F64 Y75	A30-V47 HydrophobicContact CB-CG2 3.76Å; I45-V47 HydrophobicContact CG2-CG2 3.9Å; I45-V47 PolarHBondContact O-N 2.76Å; V47-C50 HydrophobicContact CB-CB 4.17Å; V47-C50 HydrophobicContact CG1-CB 3.8Å; V47-F64 HydrophobicContact CB-CZ 4.38Å; V47-F64 HydrophobicContact CG2-CE1 4.02Å; V47-F64 HydrophobicContact CG2-CZ 4.02Å; V47-Y75 HydrophobicContact CG1-CD2 3.73Å; V47-Y75 HydrophobicContact CG1-CE2 4.13Å; V47-Y75 HydrophobicContact CG1-CG 4.26Å; V47-Y75 HydrophobicContact CG2-CD1 4.37Å; V47-Y75 HydrophobicContact CG2-CD2 4.29Å; V47-Y75 HydrophobicContact CG2-CG 3.98Å
48	E	88.4	Confident	90.8	Very high	125 Å²	125	56.7 Å²	56.7	58%	0.584	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	145.4	179.8	-63.1	-179.8	171.4	0	0	111.9	C50 G68 G69	E48-C50 PolarHBondContact O-N 3.2Å; E48-G68 CarbonylContact O-C 3.58Å; E48-G68 WeakPolarHBondContact O-CA 3.29Å; E48-G69 PolarHBondContact O-N 3.34Å
49	D	86.6	Confident	91.2	Very high	53 Å²	53	53.3 Å²	53.3	28%	0.283	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.5	40.5	177.5	-167.7	27.6	0	0	0	112.8	K51 K72 D96	D49-K51 PolarHBondContact O-N 3Å; D49-K51 WeakPolarHBondContact OD1-CE 3.41Å; D49-K51 IonicContact OD1-NZ 2.68Å; D49-K72 PolarHBondContact O-NZ 3.48Å; D49-K72 IonicContact OD1-NZ 3.47Å; D49-K72 IonicContact OD2-NZ 2.76Å; D49-K72 PolarHBondContact OD2-NZ 3.32Å; D49-D96 WeakPolarHBondContact CA-O 3.4Å; D49-D96 PolarHBondContact N-O 3.45Å
50	C	88.1	Confident	91.3	Very high	16 Å²	16	55 Å²	55	11%	0.108	27%	0.274	C	S	.	.			trans	-81.8	96.9	178.6	-170.1	0	0	0	0	109.7	V47 E48 V67 I99	V47-C50 HydrophobicContact CB-CB 4.17Å; V47-C50 HydrophobicContact CG1-CB 3.8Å; E48-C50 PolarHBondContact O-N 3.2Å; C50-V67 WeakPolarHBondContact CA-O 3.2Å; C50-I99 HydrophobicContact CB-CD1 4.36Å
51	K	82.7	Confident	91.4	Very high	143 Å²	143	58.1 Å²	58.1	62%	0.622	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	130.8	179.2	-58.4	-171.5	-178.8	-175.5	0	109.5	D49	D49-K51 PolarHBondContact O-N 3Å; D49-K51 WeakPolarHBondContact OD1-CE 3.41Å; D49-K51 IonicContact OD1-NZ 2.68Å
52	D	84.2	Confident	91.4	Very high	156 Å²	156	58.2 Å²	58.2	83%	0.834	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	57	56.6	177.7	-53.2	-51.2	0	0	0	115.5	K54	D52-K54 PolarHBondContact O-N 2.99Å
53	P	90.7	Very high	91.4	Very high	7 Å²	7	57.1 Å²	57.1	5%	0.045	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	133.1	-179.9	29.7	-32.7	0	0	0	111.5	I55 F64 R92 I99	P53-I55 HydrophobicContact CB-CG1 4.47Å; P53-F64 HydrophobicContact CB-CD2 4.11Å; P53-F64 HydrophobicContact CB-CE2 3.49Å; P53-F64 VanDerWaalsContact CB-CE2 3.49Å; P53-F64 HydrophobicContact CB-CZ 4.46Å; P53-R92 VanDerWaalsContact CG-NH2 3.31Å; P53-I99 HydrophobicContact CB-CD1 3.63Å; P53-I99 HydrophobicContact CG-CD1 3.54Å; P53-I99 HydrophobicContact CG-CG1 4.26Å
54	K	91.4	Very high	91.4	Very high	155 Å²	155	57.2 Å²	57.2	67%	0.674	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.1	117.4	172	-177.1	-176.6	-178.6	-173.3	0	108.5	D52 F64 S65	D52-K54 PolarHBondContact O-N 2.99Å; K54-F64 CarbonylContact O-C 3.49Å; K54-F64 WeakPolarHBondContact O-CA 3.47Å; K54-S65 WeakPolarHBondContact CB-OG 3.33Å; K54-S65 PolarHBondContact N-O 3.47Å; K54-S65 PolarHBondContact O-N 3.05Å
55	I	92.3	Very high	91.3	Very high	34 Å²	34	58.9 Å²	58.9	17%	0.174	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	122.1	-178.9	-63.2	176.8	0	0	0	107.9	I45 P53 I57 L62 D63 F64 I99 L101	I45-I55 HydrophobicContact CD1-CD1 4.44Å; P53-I55 HydrophobicContact CB-CG1 4.47Å; I55-I57 HydrophobicContact CG2-CD1 4.04Å; I55-I57 HydrophobicContact CG2-CG1 3.91Å; I55-L62 HydrophobicContact CG2-CD1 3.52Å; I55-D63 CarbonylContact C-O 3.17Å; I55-D63 VanDerWaalsContact CA-O 3.32Å; I55-D63 WeakPolarHBondContact CA-O 3.43Å; I55-F64 HydrophobicContact CD1-CD2 4.21Å; I55-F64 HydrophobicContact CG1-CD2 3.84Å; I55-I99 HydrophobicContact CD1-CG2 3.73Å; I55-L101 HydrophobicContact CD1-CD2 4.49Å; I55-L101 HydrophobicContact CG2-CD1 4.22Å
56	D	92	Very high	91.2	Very high	82 Å²	82	59.2 Å²	59.2	44%	0.439	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	131.2	173.4	-171.4	33.1	0	0	0	109.4	R61 L62 D63	D56-R61 IonicContact OD2-NH2 3.25Å; D56-L62 WeakPolarHBondContact O-CA 3.33Å; D56-D63 PolarHBondContact N-O 3.1Å; D56-D63 PolarHBondContact O-N 2.8Å
57	I	92.3	Very high	91.1	Very high	31 Å²	31	60.7 Å²	60.7	16%	0.159	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	119.5	-177.1	-54.3	175.5	0	0	0	108.4	I55 L62 F81 S87 V90 L101 I103	I55-I57 HydrophobicContact CG2-CD1 4.04Å; I55-I57 HydrophobicContact CG2-CG1 3.91Å; I57-L62 HydrophobicContact CD1-CD1 3.99Å; I57-L62 HydrophobicContact CG1-CD1 3.56Å; I57-F81 HydrophobicContact CG2-CE2 4.42Å; I57-S87 WeakPolarHBondContact O-CB 3.36Å; I57-V90 HydrophobicContact CD1-CB 4.33Å; I57-V90 HydrophobicContact CD1-CG1 3.73Å; I57-V90 HydrophobicContact CD1-CG2 4Å; I57-V90 HydrophobicContact CG2-CG2 4.32Å; I57-L101 HydrophobicContact CD1-CD1 4.03Å; I57-I103 HydrophobicContact CD1-CD1 4.37Å
58	T	92.7	Very high	91.1	Very high	46 Å²	46	60.5 Å²	60.5	28%	0.282	30%	0.303	S	S	.	.			trans	-107.3	176.1	170	67.2	0	0	0	0	109.2	E60 R61 V85	T58-E60 PolarHBondContact O-N 3.05Å; T58-E60 VanDerWaalsContact O-N 3.14Å; T58-E60 PolarHBondContact OG1-N 3.38Å; T58-R61 HydrophobicContact CG2-CG 4.44Å; T58-R61 PolarHBondContact N-O 3.1Å; T58-R61 WeakPolarHBondContact OG1-CG 3.34Å; T58-R61 PolarHBondContact OG1-N 3.14Å; T58-R61 VanDerWaalsContact OG1-N 3.07Å; T58-R61 PolarHBondContact OG1-O 2.85Å; T58-V85 WeakPolarHBondContact O-CG2 3.34Å
59	N	92.4	Very high	90.9	Very high	62 Å²	62	55 Å²	55	33%	0.332	28%	0.281	S	S	.	.	S	Bend	trans	-63.8	-17.3	176.9	-65.6	-12.8	0	0	0	113.3	E84 V85 S87	N59-E84 CarbonylContact O-C 3.52Å; N59-E84 VanDerWaalsContact O-CA 3.29Å; N59-E84 WeakPolarHBondContact O-CA 3.2Å; N59-V85 WeakPolarHBondContact CA-O 3.45Å; N59-V85 WeakPolarHBondContact CB-O 3.32Å; N59-V85 WeakPolarHBondContact O-CG2 3.23Å; N59-V85 PolarHBondContact O-N 3.36Å; N59-V85 PolarHBondContact OD1-O 2.83Å; N59-S87 PolarHBondContact OD1-N 2.76Å; N59-S87 PolarHBondContact OD1-OG 2.94Å; N59-S87 VanDerWaalsContact OD1-OG 3.13Å
60	E	93.5	Very high	90.6	Very high	112 Å²	112	58.4 Å²	58.4	52%	0.523	30%	0.304	S	S	.	.	S	Bend	trans	-118.9	-16.6	-173.9	-64.1	-177.5	-161.6	0	0	113.9	T58 F81 E84	T58-E60 PolarHBondContact O-N 3.05Å; T58-E60 VanDerWaalsContact O-N 3.14Å; T58-E60 PolarHBondContact OG1-N 3.38Å; E60-F81 PolarHBondContact O-N 2.64Å; E60-E84 HydrophobicContact CG-CG 4.5Å
61	R	93.9	Very high	90.3	Very high	103 Å²	103	61 Å²	61	39%	0.389	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	154.1	-175.7	61	173.5	-168.9	125.8	21.5	113.7	D56 T58 D63 V79 E80	D56-R61 IonicContact OD2-NH2 3.25Å; T58-R61 HydrophobicContact CG2-CG 4.44Å; T58-R61 PolarHBondContact N-O 3.1Å; T58-R61 WeakPolarHBondContact OG1-CG 3.34Å; T58-R61 PolarHBondContact OG1-N 3.14Å; T58-R61 VanDerWaalsContact OG1-N 3.07Å; T58-R61 PolarHBondContact OG1-O 2.85Å; R61-D63 IonicContact CZ-OD2 3.94Å; R61-D63 IonicContact NE-OD2 3.32Å; R61-D63 IonicContact NH1-OD1 3.46Å; R61-D63 IonicContact NH1-OD2 2.94Å; R61-D63 PolarHBondContact NH1-OD2 2.77Å; R61-D63 IonicContact NH2-OD2 3.84Å; R61-D63 PolarHBondContact NH2-OD2 3.39Å; R61-V79 CarbonylContact C-O 3.57Å; R61-V79 WeakPolarHBondContact CA-O 3.21Å; R61-V79 WeakPolarHBondContact CB-O 3.45Å; R61-E80 HydrophobicContact CB-CG 4.39Å
62	L	94.7	Very high	90.5	Very high	2 Å²	2	59 Å²	59	1%	0.01	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	126.8	170.2	157.5	74.5	0	0	0	108.9	V43 I55 D56 I57 V79 F81 L101	V43-L62 HydrophobicContact CB-CD2 4.39Å; V43-L62 HydrophobicContact CG1-CD2 3.71Å; I55-L62 HydrophobicContact CG2-CD1 3.52Å; D56-L62 WeakPolarHBondContact O-CA 3.33Å; I57-L62 HydrophobicContact CD1-CD1 3.99Å; I57-L62 HydrophobicContact CG1-CD1 3.56Å; L62-V79 HydrophobicContact CB-CB 4.22Å; L62-V79 HydrophobicContact CD2-CB 4.42Å; L62-V79 HydrophobicContact CD2-CG2 4.41Å; L62-V79 PolarHBondContact N-O 2.83Å; L62-V79 PolarHBondContact O-N 3.46Å; L62-F81 HydrophobicContact CB-CE1 4.2Å; L62-F81 HydrophobicContact CB-CE2 3.95Å; L62-F81 HydrophobicContact CB-CZ 3.44Å; L62-F81 VanDerWaalsContact CB-CZ 3.44Å; L62-F81 HydrophobicContact CD2-CZ 4.39Å; L62-L101 HydrophobicContact CD1-CD1 3.61Å; L62-L101 HydrophobicContact CD2-CD1 3.83Å; L62-L101 HydrophobicContact CG-CD1 4.41Å
63	D	93.9	Very high	90.7	Very high	25 Å²	25	54.6 Å²	54.6	13%	0.134	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	133.1	170.8	-60.8	-62.7	0	0	0	110.1	I55 D56 R61 A77 H78	I55-D63 CarbonylContact C-O 3.17Å; I55-D63 VanDerWaalsContact CA-O 3.32Å; I55-D63 WeakPolarHBondContact CA-O 3.43Å; D56-D63 PolarHBondContact N-O 3.1Å; D56-D63 PolarHBondContact O-N 2.8Å; R61-D63 IonicContact CZ-OD2 3.94Å; R61-D63 IonicContact NE-OD2 3.32Å; R61-D63 IonicContact NH1-OD1 3.46Å; R61-D63 IonicContact NH1-OD2 2.94Å; R61-D63 PolarHBondContact NH1-OD2 2.77Å; R61-D63 IonicContact NH2-OD2 3.84Å; R61-D63 PolarHBondContact NH2-OD2 3.39Å; D63-A77 WeakPolarHBondContact CA-O 3.26Å; D63-H78 IonicContact OD1-CE1 3.25Å; D63-H78 IonicContact OD1-CG 2.96Å; D63-H78 IonicContact OD1-ND1 3.32Å; D63-H78 PolarHBondContact OD1-ND1 3.13Å
64	F	95.6	Very high	90.7	Very high	3 Å²	3	58 Å²	58	1%	0.013	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	138.7	173.4	162.4	-91.4	0	0	0	109.7	A30 I45 V47 P53 K54 I55 E76 A77 I99	A30-F64 HydrophobicContact CB-CD1 3.92Å; A30-F64 HydrophobicContact CB-CE1 3.79Å; I45-F64 HydrophobicContact CD1-CB 3.69Å; I45-F64 HydrophobicContact CD1-CD2 3.68Å; I45-F64 HydrophobicContact CD1-CE2 4.46Å; I45-F64 HydrophobicContact CD1-CG 3.73Å; I45-F64 HydrophobicContact CG2-CD1 4.01Å; I45-F64 HydrophobicContact CG2-CD2 4.18Å; I45-F64 HydrophobicContact CG2-CE1 3.9Å; I45-F64 HydrophobicContact CG2-CE2 4.05Å; I45-F64 HydrophobicContact CG2-CG 4.16Å; I45-F64 HydrophobicContact CG2-CZ 3.91Å; V47-F64 HydrophobicContact CB-CZ 4.38Å; V47-F64 HydrophobicContact CG2-CE1 4.02Å; V47-F64 HydrophobicContact CG2-CZ 4.02Å; P53-F64 HydrophobicContact CB-CD2 4.11Å; P53-F64 HydrophobicContact CB-CE2 3.49Å; P53-F64 VanDerWaalsContact CB-CE2 3.49Å; P53-F64 HydrophobicContact CB-CZ 4.46Å; K54-F64 CarbonylContact O-C 3.49Å; K54-F64 WeakPolarHBondContact O-CA 3.47Å; I55-F64 HydrophobicContact CD1-CD2 4.21Å; I55-F64 HydrophobicContact CG1-CD2 3.84Å; F64-E76 CarbonylContact O-C 3.59Å; F64-E76 WeakPolarHBondContact O-CA 3.47Å; F64-A77 HydrophobicContact CB-CB 4.35Å; F64-A77 HydrophobicContact CD1-CB 4.32Å; F64-A77 PolarHBondContact N-O 3.29Å; F64-A77 PolarHBondContact O-N 2.94Å; F64-I99 HydrophobicContact CD2-CD1 4.26Å; F64-I99 HydrophobicContact CE2-CD1 3.48Å; F64-I99 VanDerWaalsContact CE2-CD1 3.48Å; F64-I99 HydrophobicContact CZ-CD1 4.24Å
65	S	94.1	Very high	90.8	Very high	37 Å²	37	52.5 Å²	52.5	26%	0.259	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	133.8	163.6	68	0	0	0	0	109.8	K54 Y75	K54-S65 WeakPolarHBondContact CB-OG 3.33Å; K54-S65 PolarHBondContact N-O 3.47Å; K54-S65 PolarHBondContact O-N 3.05Å; S65-Y75 CarbonylContact C-O 3.49Å; S65-Y75 WeakPolarHBondContact CA-O 3.5Å
66	G	92.5	Very high	91	Very high	8 Å²	8	53.8 Å²	53.8	8%	0.082	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	163.4	-179.8	0	0	0	0	0	113.1	Y75	G66-Y75 PolarHBondContact N-O 2.83Å; G66-Y75 PolarHBondContact O-N 3.41Å
67	V	90.7	Very high	91	Very high	70 Å²	70	50 Å²	50	42%	0.424	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	119.4	177	-179	0	0	0	0	109.2	C50 K72 Q73 Q74	C50-V67 WeakPolarHBondContact CA-O 3.2Å; V67-K72 HydrophobicContact CG1-CB 3.99Å; V67-K72 HydrophobicContact CG1-CD 4.28Å; V67-Q73 VanDerWaalsContact CA-O 3.32Å; V67-Q73 WeakPolarHBondContact CA-O 3.1Å; V67-Q74 HydrophobicContact CG2-CB 4.47Å
68	G	89.9	Confident	91.1	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	-173.9	-177.4	0	0	0	0	0	112.9	E48 K72 Q73	E48-G68 CarbonylContact O-C 3.58Å; E48-G68 WeakPolarHBondContact O-CA 3.29Å; G68-K72 WeakPolarHBondContact O-CA 3.24Å; G68-Q73 PolarHBondContact N-O 3.14Å; G68-Q73 PolarHBondContact O-N 3.13Å
69	G	84.4	Confident	91.2	Very high	11 Å²	11	51 Å²	51	11%	0.113	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.8	174.8	-175.3	0	0	0	0	0	114	E48 P71 K72	E48-G69 PolarHBondContact O-N 3.34Å; G69-P71 CarbonylContact C-O 3.56Å; G69-P71 CarbonylContact O-C 3.59Å; G69-K72 WeakPolarHBondContact O-CD 3.31Å
70	T	80.4	Confident	91.3	Very high	124 Å²	124	53.6 Å²	53.6	76%	0.761	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.1	103	168.7	-55.5	0	0	0	0	107.6
71	P	81.6	Confident	91.5	Very high	70 Å²	70	48.5 Å²	48.5	46%	0.455	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	cis	-71	159.8	7.7	30.9	-35.6	0	0	0	113.5	G69 Q73	G69-P71 CarbonylContact C-O 3.56Å; G69-P71 CarbonylContact O-C 3.59Å; P71-Q73 PolarHBondContact O-N 2.78Å
72	K	86.4	Confident	91.4	Very high	102 Å²	102	47.1 Å²	47.1	44%	0.443	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	121	175.6	-70.7	-68	177.7	-159.3	0	110.1	D49 V67 G68 G69	D49-K72 PolarHBondContact O-NZ 3.48Å; D49-K72 IonicContact OD1-NZ 3.47Å; D49-K72 IonicContact OD2-NZ 2.76Å; D49-K72 PolarHBondContact OD2-NZ 3.32Å; V67-K72 HydrophobicContact CG1-CB 3.99Å; V67-K72 HydrophobicContact CG1-CD 4.28Å; G68-K72 WeakPolarHBondContact O-CA 3.24Å; G69-K72 WeakPolarHBondContact O-CD 3.31Å
73	Q	88.5	Confident	91.3	Very high	63 Å²	63	48.1 Å²	48.1	29%	0.294	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	152.1	179	-63.1	-174.3	29.3	0	0	110.4	V67 G68 P71 Y75	V67-Q73 VanDerWaalsContact CA-O 3.32Å; V67-Q73 WeakPolarHBondContact CA-O 3.1Å; G68-Q73 PolarHBondContact N-O 3.14Å; G68-Q73 PolarHBondContact O-N 3.13Å; P71-Q73 PolarHBondContact O-N 2.78Å; Q73-Y75 HydrophobicContact CB-CD2 4.47Å; Q73-Y75 HydrophobicContact CB-CE2 3.83Å; Q73-Y75 VanDerWaalsContact O-CD2 3.29Å; Q73-Y75 WeakPolarHBondContact O-CD2 3.09Å
74	Q	92.5	Very high	91.3	Very high	77 Å²	77	51 Å²	51	36%	0.36	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	127.4	175.4	-172.1	172.6	-23.1	0	0	109.4	V27 L28 V67 E76	V27-Q74 HydrophobicContact CG1-CG 4.07Å; V27-Q74 HydrophobicContact CG2-CB 4.43Å; V27-Q74 HydrophobicContact CG2-CG 4.03Å; L28-Q74 PolarHBondContact N-O 3.07Å; V67-Q74 HydrophobicContact CG2-CB 4.47Å; Q74-E76 PolarHBondContact NE2-OE1 2.71Å
75	Y	93.6	Very high	91.2	Very high	41 Å²	41	50.9 Å²	50.9	16%	0.161	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	142	178	-70.4	-88.3	0	0	0	110.5	L28 A30 V47 S65 G66 Q73	L28-Y75 HydrophobicContact CB-CD1 3.71Å; L28-Y75 HydrophobicContact CB-CE1 3.72Å; L28-Y75 HydrophobicContact CD1-CE1 3.89Å; L28-Y75 HydrophobicContact CG-CE1 4.44Å; L28-Y75 CarbonylContact O-C 3.47Å; L28-Y75 VanDerWaalsContact O-CA 3.24Å; L28-Y75 WeakPolarHBondContact O-CA 3.27Å; A30-Y75 HydrophobicContact CB-CD1 4.41Å; V47-Y75 HydrophobicContact CG1-CD2 3.73Å; V47-Y75 HydrophobicContact CG1-CE2 4.13Å; V47-Y75 HydrophobicContact CG1-CG 4.26Å; V47-Y75 HydrophobicContact CG2-CD1 4.37Å; V47-Y75 HydrophobicContact CG2-CD2 4.29Å; V47-Y75 HydrophobicContact CG2-CG 3.98Å; S65-Y75 CarbonylContact C-O 3.49Å; S65-Y75 WeakPolarHBondContact CA-O 3.5Å; G66-Y75 PolarHBondContact N-O 2.83Å; G66-Y75 PolarHBondContact O-N 3.41Å; Q73-Y75 HydrophobicContact CB-CD2 4.47Å; Q73-Y75 HydrophobicContact CB-CE2 3.83Å; Q73-Y75 VanDerWaalsContact O-CD2 3.29Å; Q73-Y75 WeakPolarHBondContact O-CD2 3.09Å
76	E	94.9	Very high	90.9	Very high	60 Å²	60	50.9 Å²	50.9	28%	0.28	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	149	171.3	-78.1	170.4	-163.6	0	0	110.5	V27 L28 H29 A30 F64 Q74 H78	V27-E76 HydrophobicContact CG1-CB 3.75Å; V27-E76 HydrophobicContact CG1-CG 3.59Å; L28-E76 PolarHBondContact O-N 3.14Å; H29-E76 CarbonylContact C-O 3.6Å; H29-E76 VanDerWaalsContact CA-O 3.3Å; H29-E76 WeakPolarHBondContact CA-O 3.39Å; A30-E76 PolarHBondContact N-O 2.78Å; F64-E76 CarbonylContact O-C 3.59Å; F64-E76 WeakPolarHBondContact O-CA 3.47Å; Q74-E76 PolarHBondContact NE2-OE1 2.71Å; E76-H78 IonicContact OE2-NE2 3.34Å
77	A	93.5	Very high	90.6	Very high	2 Å²	2	52.8 Å²	52.8	2%	0.017	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	132.4	169.5	0	0	0	0	0	110	A30 V32 D63 F64	A30-A77 HydrophobicContact CB-CB 3.9Å; V32-A77 HydrophobicContact CG2-CB 4.05Å; D63-A77 WeakPolarHBondContact CA-O 3.26Å; F64-A77 HydrophobicContact CB-CB 4.35Å; F64-A77 HydrophobicContact CD1-CB 4.32Å; F64-A77 PolarHBondContact N-O 3.29Å; F64-A77 PolarHBondContact O-N 2.94Å
78	H	94.3	Very high	90.3	Very high	98 Å²	98	54 Å²	54	45%	0.454	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	112	178.9	-58.9	-70.1	0	0	0	108.6	D63 E76 W124	D63-H78 IonicContact OD1-CE1 3.25Å; D63-H78 IonicContact OD1-CG 2.96Å; D63-H78 IonicContact OD1-ND1 3.32Å; D63-H78 PolarHBondContact OD1-ND1 3.13Å; E76-H78 IonicContact OE2-NE2 3.34Å; H78-W124 WeakPolarHBondContact O-CH2 3.21Å
79	V	94.5	Very high	90.1	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.006	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	102.9	-177.1	178.2	0	0	0	0	108.2	R61 L62 F81 L115 L116 W124	R61-V79 CarbonylContact C-O 3.57Å; R61-V79 WeakPolarHBondContact CA-O 3.21Å; R61-V79 WeakPolarHBondContact CB-O 3.45Å; L62-V79 HydrophobicContact CB-CB 4.22Å; L62-V79 HydrophobicContact CD2-CB 4.42Å; L62-V79 HydrophobicContact CD2-CG2 4.41Å; L62-V79 PolarHBondContact N-O 2.83Å; L62-V79 PolarHBondContact O-N 3.46Å; V79-F81 HydrophobicContact CG1-CD1 3.82Å; V79-F81 HydrophobicContact CG1-CE1 3.74Å; V79-L115 HydrophobicContact CG1-CD2 3.64Å; V79-L115 HydrophobicContact CG1-CG 3.85Å; V79-L116 HydrophobicContact CB-CD2 4.27Å; V79-L116 HydrophobicContact CG1-CD2 3.75Å; V79-W124 HydrophobicContact CG2-CH2 4.24Å; V79-W124 HydrophobicContact CG2-CZ3 4.07Å
80	E	94.8	Very high	90.3	Very high	116 Å²	116	61.2 Å²	61.2	54%	0.542	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	115.8	164.7	-70.1	-172.9	-177.7	0	0	109.2	R61 L116 K117	R61-E80 HydrophobicContact CB-CG 4.39Å; E80-L116 CarbonylContact O-C 3.56Å; E80-L116 VanDerWaalsContact O-CA 3.27Å; E80-L116 WeakPolarHBondContact O-CA 3.48Å; E80-K117 HydrophobicContact CB-CB 4.29Å; E80-K117 PolarHBondContact O-N 3.38Å
81	F	96.1	Very high	90.6	Very high	5 Å²	5	60.8 Å²	60.8	2%	0.022	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-69.3	145.8	-175.2	-62.8	-56.3	0	0	0	112.2	I41 V43 I57 E60 L62 V79 G83 V85 I103 W112 L115	I41-F81 HydrophobicContact CD1-CD1 3.91Å; I41-F81 HydrophobicContact CD1-CE1 3.75Å; I41-F81 HydrophobicContact CD1-CZ 4.36Å; V43-F81 HydrophobicContact CG2-CE1 4.35Å; I57-F81 HydrophobicContact CG2-CE2 4.42Å; E60-F81 PolarHBondContact O-N 2.64Å; L62-F81 HydrophobicContact CB-CE1 4.2Å; L62-F81 HydrophobicContact CB-CE2 3.95Å; L62-F81 HydrophobicContact CB-CZ 3.44Å; L62-F81 VanDerWaalsContact CB-CZ 3.44Å; L62-F81 HydrophobicContact CD2-CZ 4.39Å; V79-F81 HydrophobicContact CG1-CD1 3.82Å; V79-F81 HydrophobicContact CG1-CE1 3.74Å; F81-G83 VanDerWaalsContact C-N 3.27Å; F81-G83 VanDerWaalsContact CB-O 3.26Å; F81-G83 WeakPolarHBondContact CB-O 3.45Å; F81-G83 PolarHBondContact O-N 3.06Å; F81-V85 HydrophobicContact CD2-CB 4.46Å; F81-V85 HydrophobicContact CD2-CG1 3.91Å; F81-V85 HydrophobicContact CD2-CG2 3.66Å; F81-V85 HydrophobicContact CE2-CG1 4.22Å; F81-V85 HydrophobicContact CE2-CG2 3.63Å; F81-V85 HydrophobicContact CG-CG1 4.14Å; F81-I103 HydrophobicContact CE1-CD1 4.34Å; F81-I103 HydrophobicContact CZ-CD1 3.7Å; F81-W112 HydrophobicContact CB-CH2 4.22Å; F81-W112 HydrophobicContact CB-CZ3 4.14Å; F81-L115 CarbonylContact C-O 3.59Å; F81-L115 WeakPolarHBondContact CA-O 3.46Å; F81-L115 HydrophobicContact CD1-CD1 3.98Å; F81-L115 HydrophobicContact CE1-CD1 4.19Å
82	F	93.7	Very high	90.8	Very high	74 Å²	74	62.1 Å²	62.1	33%	0.325	30%	0.302	S	S	.	.	S	Bend	trans	-59.8	-37.7	176.5	174.8	-91.8	0	0	0	112.7	W112 P113 R114 L115	F82-W112 HydrophobicContact CB-CD2 4.15Å; F82-W112 HydrophobicContact CB-CE3 3.88Å; F82-W112 HydrophobicContact CB-CG 4.49Å; F82-W112 HydrophobicContact CB-CZ3 4.39Å; F82-W112 HydrophobicContact CD1-CB 3.85Å; F82-W112 AromaticContact CD1-CD1 3.85Å; F82-W112 AromaticContact CD1-CD2 3.91Å; F82-W112 HydrophobicContact CD1-CD2 3.91Å; F82-W112 HydrophobicContact CD1-CE3 4.5Å; F82-W112 AromaticContact CD1-CG 3.61Å; F82-W112 HydrophobicContact CD1-CG 3.61Å; F82-W112 HydrophobicContact CE1-CB 4.43Å; F82-W112 HydrophobicContact CE1-CG 4.31Å; F82-W112 HydrophobicContact CG-CB 4.37Å; F82-W112 HydrophobicContact CG-CD2 4.49Å; F82-W112 HydrophobicContact CG-CG 4.39Å; F82-P113 HydrophobicContact CD2-CG 4.39Å; F82-P113 HydrophobicContact CE1-CG 4.35Å; F82-P113 HydrophobicContact CE2-CG 3.76Å; F82-P113 HydrophobicContact CZ-CG 3.73Å; F82-R114 VanDerWaalsContact CB-O 3.27Å; F82-R114 WeakPolarHBondContact CB-O 3.4Å; F82-R114 HydrophobicContact CD2-CG 4.05Å; F82-L115 PolarHBondContact N-O 2.69Å
83	G	91.9	Very high	90.8	Very high	24 Å²	24	59.3 Å²	59.3	25%	0.247	29%	0.291	C	S	.	.	S	Bend	trans	-135.9	174.3	173.8	0	0	0	0	0	111.5	F81 W112	F81-G83 VanDerWaalsContact C-N 3.27Å; F81-G83 VanDerWaalsContact CB-O 3.26Å; F81-G83 WeakPolarHBondContact CB-O 3.45Å; F81-G83 PolarHBondContact O-N 3.06Å; G83-W112 WeakPolarHBondContact O-CH2 3.41Å
84	E	93.3	Very high	90.4	Very high	86 Å²	86	61.1 Å²	61.1	40%	0.402	30%	0.3	S	S	.	.			trans	-69.9	139	-179.4	-67.6	-175.2	-158.2	0	0	112.3	N59 E60 K106	N59-E84 CarbonylContact O-C 3.52Å; N59-E84 VanDerWaalsContact O-CA 3.29Å; N59-E84 WeakPolarHBondContact O-CA 3.2Å; E60-E84 HydrophobicContact CG-CG 4.5Å; E84-K106 HydrophobicContact CB-CB 3.99Å; E84-K106 HydrophobicContact CB-CD 3.84Å; E84-K106 WeakPolarHBondContact O-CB 3.4Å; E84-K106 PolarHBondContact O-N 2.92Å; E84-K106 WeakPolarHBondContact OE2-CD 3.18Å; E84-K106 WeakPolarHBondContact OE2-CE 3.39Å; E84-K106 IonicContact OE2-NZ 2.61Å; E84-K106 PolarHBondContact OE2-NZ 2.99Å
85	V	93.7	Very high	89.9	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	159.5	173.1	-61	0	0	0	0	111.1	I41 T58 N59 F81 S87 I103 N104 W112	I41-V85 HydrophobicContact CD1-CG1 3.89Å; T58-V85 WeakPolarHBondContact O-CG2 3.34Å; N59-V85 WeakPolarHBondContact CA-O 3.45Å; N59-V85 WeakPolarHBondContact CB-O 3.32Å; N59-V85 WeakPolarHBondContact O-CG2 3.23Å; N59-V85 PolarHBondContact O-N 3.36Å; N59-V85 PolarHBondContact OD1-O 2.83Å; F81-V85 HydrophobicContact CD2-CB 4.46Å; F81-V85 HydrophobicContact CD2-CG1 3.91Å; F81-V85 HydrophobicContact CD2-CG2 3.66Å; F81-V85 HydrophobicContact CE2-CG1 4.22Å; F81-V85 HydrophobicContact CE2-CG2 3.63Å; F81-V85 HydrophobicContact CG-CG1 4.14Å; V85-S87 PolarHBondContact O-N 2.83Å; V85-I103 HydrophobicContact CB-CG2 3.56Å; V85-I103 HydrophobicContact CG1-CG2 3.83Å; V85-I103 HydrophobicContact CG2-CG2 3.87Å; V85-N104 WeakPolarHBondContact CA-O 3.3Å; V85-N104 WeakPolarHBondContact CB-O 3.31Å; V85-W112 HydrophobicContact CG1-CH2 3.77Å
86	D	88.1	Confident	89.2	Confident	36 Å²	36	64.9 Å²	64.9	19%	0.193	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	95.8	170.2	-175.3	-8	0	0	0	109.3	S88 K89 N104	D86-S88 PolarHBondContact O-N 2.81Å; D86-S88 VanDerWaalsContact O-N 3.13Å; D86-S88 WeakPolarHBondContact OD1-CB 3.34Å; D86-S88 PolarHBondContact OD1-N 3.33Å; D86-S88 PolarHBondContact OD1-OG 2.9Å; D86-K89 HydrophobicContact CB-CB 4.41Å; D86-K89 PolarHBondContact O-N 2.9Å; D86-K89 VanDerWaalsContact OD2-CD 3.23Å; D86-K89 WeakPolarHBondContact OD2-CD 3.34Å; D86-K89 VanDerWaalsContact OD2-CE 3.32Å; D86-K89 WeakPolarHBondContact OD2-CE 3.21Å; D86-K89 WeakPolarHBondContact OD2-CG 3.41Å; D86-K89 IonicContact OD2-NZ 3.53Å; D86-N104 HydrophobicContact CB-CB 4.37Å; D86-N104 PolarHBondContact N-O 2.85Å
87	S	86.7	Confident	88.5	Confident	48 Å²	48	71.4 Å²	71.4	34%	0.336	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	-14.7	-179.3	70.6	0	0	0	0	113.6	I57 N59 V85 K89	I57-S87 WeakPolarHBondContact O-CB 3.36Å; N59-S87 PolarHBondContact OD1-N 2.76Å; N59-S87 PolarHBondContact OD1-OG 2.94Å; N59-S87 VanDerWaalsContact OD1-OG 3.13Å; V85-S87 PolarHBondContact O-N 2.83Å; S87-K89 VanDerWaalsContact C-N 3.29Å
88	S	84.3	Confident	88.3	Confident	95 Å²	95	75 Å²	75	66%	0.664	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.1	-14.3	174.4	78.5	0	0	0	0	113.2	D86	D86-S88 PolarHBondContact O-N 2.81Å; D86-S88 VanDerWaalsContact O-N 3.13Å; D86-S88 WeakPolarHBondContact OD1-CB 3.34Å; D86-S88 PolarHBondContact OD1-N 3.33Å; D86-S88 PolarHBondContact OD1-OG 2.9Å
89	K	84.8	Confident	88.1	Confident	116 Å²	116	70.4 Å²	70.4	50%	0.504	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	69.5	-177.7	-66.6	-177.1	-168.9	160.3	0	111.5	D86 S87 N104	D86-K89 HydrophobicContact CB-CB 4.41Å; D86-K89 PolarHBondContact O-N 2.9Å; D86-K89 VanDerWaalsContact OD2-CD 3.23Å; D86-K89 WeakPolarHBondContact OD2-CD 3.34Å; D86-K89 VanDerWaalsContact OD2-CE 3.32Å; D86-K89 WeakPolarHBondContact OD2-CE 3.21Å; D86-K89 WeakPolarHBondContact OD2-CG 3.41Å; D86-K89 IonicContact OD2-NZ 3.53Å; S87-K89 VanDerWaalsContact C-N 3.29Å; K89-N104 HydrophobicContact CB-CB 4.05Å; K89-N104 PolarHBondContact O-N 3.47Å
90	V	88.5	Confident	88	Confident	48 Å²	48	71.7 Å²	71.7	29%	0.291	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	124.3	174.6	-177.3	0	0	0	0	110.4	I57 L101 V102 I103	I57-V90 HydrophobicContact CD1-CB 4.33Å; I57-V90 HydrophobicContact CD1-CG1 3.73Å; I57-V90 HydrophobicContact CD1-CG2 4Å; I57-V90 HydrophobicContact CG2-CG2 4.32Å; V90-L101 HydrophobicContact CG1-CB 4.49Å; V90-L101 HydrophobicContact CG1-CD2 4.23Å; V90-V102 WeakPolarHBondContact CA-O 3.23Å; V90-I103 HydrophobicContact CG1-CG1 4Å; V90-I103 HydrophobicContact CG2-CB 4.47Å; V90-I103 HydrophobicContact CG2-CG1 4.11Å; V90-I103 HydrophobicContact CG2-CG2 4.13Å
91	R	87.2	Confident	87.9	Confident	114 Å²	114	66.2 Å²	66.2	43%	0.43	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	122.1	168.7	-171.6	179.6	179.3	-166.9	-0.2	109	L101 V102 D145	R91-L101 WeakPolarHBondContact O-CA 3.47Å; R91-V102 HydrophobicContact CB-CB 4.23Å; R91-V102 PolarHBondContact N-O 3.48Å; R91-V102 PolarHBondContact O-N 2.85Å; R91-D145 IonicContact NH1-OD2 2.62Å; R91-D145 PolarHBondContact NH1-OD2 3.5Å
92	R	86.6	Confident	87.8	Confident	98 Å²	98	67.1 Å²	67.1	37%	0.37	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	130.2	178	177.3	170.1	161.3	175.6	-10	110	P53 E94 L101	P53-R92 VanDerWaalsContact CG-NH2 3.31Å; R92-E94 HydrophobicContact CG-CG 4.18Å; R92-E94 IonicContact CZ-OE1 2.95Å; R92-E94 IonicContact CZ-OE2 3.96Å; R92-E94 IonicContact NE-OE1 3.58Å; R92-E94 PolarHBondContact NE-OE1 2.67Å; R92-E94 IonicContact NE-OE2 3.54Å; R92-E94 IonicContact NH2-OE1 3.7Å; R92-E94 PolarHBondContact NH2-OE1 3.32Å; R92-E94 IonicContact NH2-OE2 2.62Å; R92-E94 PolarHBondContact NH2-OE2 2.94Å; R92-L101 HydrophobicContact CB-CD2 3.93Å; R92-L101 HydrophobicContact CG-CD2 3.93Å
93	I	85.5	Confident	87.7	Confident	43 Å²	43	63.6 Å²	63.6	22%	0.221	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	112.4	177.7	-57.9	161.5	0	0	0	107.1	Q100 L147	I93-Q100 HydrophobicContact CB-CB 4.3Å; I93-Q100 PolarHBondContact N-O 3.36Å; I93-Q100 PolarHBondContact O-N 3.29Å; I93-L147 HydrophobicContact CD1-CD2 3.82Å; I93-L147 HydrophobicContact CG1-CD2 4.39Å; I93-L147 HydrophobicContact CG2-CD2 4.21Å
94	E	80.3	Confident	87.7	Confident	101 Å²	101	65.2 Å²	65.2	47%	0.472	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	139.7	179.3	-72.6	169.5	-105.8	0	0	110.7	R92 I99	R92-E94 HydrophobicContact CG-CG 4.18Å; R92-E94 IonicContact CZ-OE1 2.95Å; R92-E94 IonicContact CZ-OE2 3.96Å; R92-E94 IonicContact NE-OE1 3.58Å; R92-E94 PolarHBondContact NE-OE1 2.67Å; R92-E94 IonicContact NE-OE2 3.54Å; R92-E94 IonicContact NH2-OE1 3.7Å; R92-E94 PolarHBondContact NH2-OE1 3.32Å; R92-E94 IonicContact NH2-OE2 2.62Å; R92-E94 PolarHBondContact NH2-OE2 2.94Å; E94-I99 HydrophobicContact CG-CG1 4.33Å; E94-I99 HydrophobicContact CG-CG2 4.02Å
95	S	81.8	Confident	87.6	Confident	61 Å²	61	61.8 Å²	61.8	43%	0.427	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	163	171.7	67.5	0	0	0	0	108.5	R97 K98	S95-R97 PolarHBondContact O-N 3.46Å; S95-R97 PolarHBondContact OG-N 3Å; S95-K98 PolarHBondContact N-O 3.29Å; S95-K98 PolarHBondContact O-N 3.18Å; S95-K98 WeakPolarHBondContact OG-CG 3.46Å; S95-K98 PolarHBondContact OG-N 3.26Å; S95-K98 VanDerWaalsContact OG-N 3.15Å; S95-K98 PolarHBondContact OG-O 2.71Å
96	D	78.9	Confident	87.4	Confident	137 Å²	137	67.1 Å²	67.1	73%	0.733	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-11.1	176	-63.1	-21.8	0	0	0	113.6	D49	D49-D96 WeakPolarHBondContact CA-O 3.4Å; D49-D96 PolarHBondContact N-O 3.45Å
97	R	79.8	Confident	87.2	Confident	196 Å²	196	73 Å²	73	74%	0.74	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	-27.8	-178.2	-63.2	-172.3	-175	177.2	3.1	114.1	S95	S95-R97 PolarHBondContact O-N 3.46Å; S95-R97 PolarHBondContact OG-N 3Å
98	K	89	Confident	87	Confident	77 Å²	77	74.3 Å²	74.3	34%	0.335	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164	157	-171.1	58.8	-177.2	178	179.8	0	112.1	T44 I45 S95 Q100	T44-K98 HydrophobicContact CG2-CB 4.03Å; T44-K98 HydrophobicContact CG2-CD 3.77Å; T44-K98 HydrophobicContact CG2-CG 4.35Å; I45-K98 WeakPolarHBondContact O-CA 3.37Å; S95-K98 PolarHBondContact N-O 3.29Å; S95-K98 PolarHBondContact O-N 3.18Å; S95-K98 WeakPolarHBondContact OG-CG 3.46Å; S95-K98 PolarHBondContact OG-N 3.26Å; S95-K98 VanDerWaalsContact OG-N 3.15Å; S95-K98 PolarHBondContact OG-O 2.71Å; K98-Q100 HydrophobicContact CD-CG 4.22Å; K98-Q100 VanDerWaalsContact CE-NE2 3.34Å; K98-Q100 HydrophobicContact CG-CG 4.29Å; K98-Q100 VanDerWaalsContact NZ-NE2 3.19Å
99	I	91.2	Very high	86.4	Confident	3 Å²	3	71.2 Å²	71.2	2%	0.015	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	120.2	174.2	-54.4	153.1	0	0	0	107.9	T44 I45 C50 P53 I55 F64 E94	T44-I99 CarbonylContact C-O 3.58Å; T44-I99 WeakPolarHBondContact CA-O 3.28Å; I45-I99 HydrophobicContact CB-CB 4.36Å; I45-I99 PolarHBondContact N-O 2.88Å; I45-I99 PolarHBondContact O-N 3.44Å; C50-I99 HydrophobicContact CB-CD1 4.36Å; P53-I99 HydrophobicContact CB-CD1 3.63Å; P53-I99 HydrophobicContact CG-CD1 3.54Å; P53-I99 HydrophobicContact CG-CG1 4.26Å; I55-I99 HydrophobicContact CD1-CG2 3.73Å; F64-I99 HydrophobicContact CD2-CD1 4.26Å; F64-I99 HydrophobicContact CE2-CD1 3.48Å; F64-I99 VanDerWaalsContact CE2-CD1 3.48Å; F64-I99 HydrophobicContact CZ-CD1 4.24Å; E94-I99 HydrophobicContact CG-CG1 4.33Å; E94-I99 HydrophobicContact CG-CG2 4.02Å
100	Q	92.1	Very high	86.2	Confident	27 Å²	27	70.2 Å²	70.2	13%	0.126	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	133.7	-180	-59.3	-165.4	-43.6	0	0	110.7	T44 I93 K98	T44-Q100 HydrophobicContact CG2-CG 3.98Å; T44-Q100 PolarHBondContact OG1-NE2 2.7Å; I93-Q100 HydrophobicContact CB-CB 4.3Å; I93-Q100 PolarHBondContact N-O 3.36Å; I93-Q100 PolarHBondContact O-N 3.29Å; K98-Q100 HydrophobicContact CD-CG 4.22Å; K98-Q100 VanDerWaalsContact CE-NE2 3.34Å; K98-Q100 HydrophobicContact CG-CG 4.29Å; K98-Q100 VanDerWaalsContact NZ-NE2 3.19Å
101	L	93.3	Very high	86.1	Confident	2 Å²	2	69.8 Å²	69.8	1%	0.01	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	127.1	176.4	-57	172.7	0	0	0	108.4	Y42 V43 I55 I57 L62 V90 R91 R92 I103	Y42-L101 CarbonylContact C-O 3.45Å; Y42-L101 WeakPolarHBondContact CA-O 3.42Å; V43-L101 HydrophobicContact CB-CB 4.4Å; V43-L101 PolarHBondContact N-O 3.13Å; V43-L101 PolarHBondContact O-N 3.02Å; I55-L101 HydrophobicContact CD1-CD2 4.49Å; I55-L101 HydrophobicContact CG2-CD1 4.22Å; I57-L101 HydrophobicContact CD1-CD1 4.03Å; L62-L101 HydrophobicContact CD1-CD1 3.61Å; L62-L101 HydrophobicContact CD2-CD1 3.83Å; L62-L101 HydrophobicContact CG-CD1 4.41Å; V90-L101 HydrophobicContact CG1-CB 4.49Å; V90-L101 HydrophobicContact CG1-CD2 4.23Å; R91-L101 WeakPolarHBondContact O-CA 3.47Å; R92-L101 HydrophobicContact CB-CD2 3.93Å; R92-L101 HydrophobicContact CG-CD2 3.93Å; L101-I103 HydrophobicContact CB-CD1 4.22Å; L101-I103 HydrophobicContact CB-CG1 4.1Å
102	V	92.8	Very high	86.3	Confident	24 Å²	24	65.6 Å²	65.6	15%	0.145	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	116	166.6	-167.8	0	0	0	0	106.6	L40 Y42 V90 R91	L40-V102 HydrophobicContact CB-CG1 4.38Å; L40-V102 HydrophobicContact CD1-CG1 4.38Å; L40-V102 HydrophobicContact CD2-CG1 4.11Å; Y42-V102 HydrophobicContact CD1-CB 4.45Å; Y42-V102 HydrophobicContact CD1-CG1 4.17Å; Y42-V102 HydrophobicContact CD1-CG2 3.82Å; Y42-V102 HydrophobicContact CE1-CB 4.48Å; Y42-V102 HydrophobicContact CE1-CG1 3.9Å; Y42-V102 HydrophobicContact CE1-CG2 3.84Å; V90-V102 WeakPolarHBondContact CA-O 3.23Å; R91-V102 HydrophobicContact CB-CB 4.23Å; R91-V102 PolarHBondContact N-O 3.48Å; R91-V102 PolarHBondContact O-N 2.85Å
103	I	92.2	Very high	86.4	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	128.8	-172.5	-53.5	172.5	0	0	0	108	L40 I41 V43 I57 F81 V85 V90 L101	L40-I103 CarbonylContact C-O 3.52Å; L40-I103 WeakPolarHBondContact CA-O 3.22Å; I41-I103 HydrophobicContact CD1-CB 4.22Å; I41-I103 HydrophobicContact CD1-CD1 4.4Å; I41-I103 HydrophobicContact CD1-CG2 4.49Å; I41-I103 HydrophobicContact CG1-CB 3.74Å; I41-I103 HydrophobicContact CG1-CG2 4.39Å; I41-I103 PolarHBondContact N-O 3.03Å; I41-I103 PolarHBondContact O-N 3.18Å; V43-I103 HydrophobicContact CG2-CD1 4.27Å; I57-I103 HydrophobicContact CD1-CD1 4.37Å; F81-I103 HydrophobicContact CE1-CD1 4.34Å; F81-I103 HydrophobicContact CZ-CD1 3.7Å; V85-I103 HydrophobicContact CB-CG2 3.56Å; V85-I103 HydrophobicContact CG1-CG2 3.83Å; V85-I103 HydrophobicContact CG2-CG2 3.87Å; V90-I103 HydrophobicContact CG1-CG1 4Å; V90-I103 HydrophobicContact CG2-CB 4.47Å; V90-I103 HydrophobicContact CG2-CG1 4.11Å; V90-I103 HydrophobicContact CG2-CG2 4.13Å; L101-I103 HydrophobicContact CB-CD1 4.22Å; L101-I103 HydrophobicContact CB-CG1 4.1Å
104	N	90.7	Very high	86.7	Confident	58 Å²	58	66.4 Å²	66.4	31%	0.31	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	138.5	176	-75.3	26.3	0	0	0	111.1	V85 D86 K89	V85-N104 WeakPolarHBondContact CA-O 3.3Å; V85-N104 WeakPolarHBondContact CB-O 3.31Å; D86-N104 HydrophobicContact CB-CB 4.37Å; D86-N104 PolarHBondContact N-O 2.85Å; K89-N104 HydrophobicContact CB-CB 4.05Å; K89-N104 PolarHBondContact O-N 3.47Å
105	K	92.6	Very high	87.3	Confident	13 Å²	13	61.7 Å²	61.7	6%	0.057	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	144.5	166.6	-64.4	177.3	179.6	169.5	0	108.6	R37 K38 D39 I41 E107 W112	R37-K105 PolarHBondContact O-NZ 3.4Å; R37-K105 VanDerWaalsContact O-NZ 3.09Å; K38-K105 PolarHBondContact O-NZ 3.46Å; D39-K105 PolarHBondContact O-N 3.09Å; I41-K105 HydrophobicContact CG2-CG 4.3Å; K105-E107 VanDerWaalsContact C-N 3.34Å; K105-W112 HydrophobicContact CD-CZ2 4.26Å; K105-W112 HydrophobicContact CG-CZ2 3.93Å
106	K	89.3	Confident	87.9	Confident	113 Å²	113	59.8 Å²	59.8	49%	0.491	31%	0.305	S	S	.	.	S	Bend	trans	-67.2	-38.5	177.6	-174.4	177.7	175.8	179.9	0	111.8	E84	E84-K106 HydrophobicContact CB-CB 3.99Å; E84-K106 HydrophobicContact CB-CD 3.84Å; E84-K106 WeakPolarHBondContact O-CB 3.4Å; E84-K106 PolarHBondContact O-N 2.92Å; E84-K106 WeakPolarHBondContact OE2-CD 3.18Å; E84-K106 WeakPolarHBondContact OE2-CE 3.39Å; E84-K106 IonicContact OE2-NZ 2.61Å; E84-K106 PolarHBondContact OE2-NZ 2.99Å
107	E	84.6	Confident	88.5	Confident	159 Å²	159	58.9 Å²	58.9	74%	0.743	30%	0.295	S	S	*	.	S	Bend	trans	-121	132.6	174.4	-65.6	-178.2	178.3	0	0	109.7	K105 G109	K105-E107 VanDerWaalsContact C-N 3.34Å; E107-G109 PolarHBondContact O-N 2.97Å
108	S	80.7	Confident	88.7	Confident	75 Å²	75	54.6 Å²	54.6	52%	0.524	29%	0.287	S	S	.	.			trans	-67	126.2	168.3	-173.5	0	0	0	0	108.4	D39	D39-S108 WeakPolarHBondContact OD1-CB 3.27Å; D39-S108 PolarHBondContact OD1-OG 3.31Å
109	G	72.6	Confident	88.3	Confident	31 Å²	31	59.1 Å²	59.1	32%	0.32	31%	0.306	S	S	.	.			trans	-163.7	-176.8	-171.6	0	0	0	0	0	112.3	E107	E107-G109 PolarHBondContact O-N 2.97Å
110	P	80.6	Confident	87.6	Confident	94 Å²	94	61.4 Å²	61.4	61%	0.61	33%	0.326	S	S	*	.	S	Bend	trans	-58.8	160.4	180	26.7	-34.6	0	0	0	111	W112	P110-W112 PolarHBondContact O-N 3.07Å
111	F	86.9	Confident	86.8	Confident	40 Å²	40	70.3 Å²	70.3	18%	0.175	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-58.6	133.9	176.1	-88	-130.9	0	0	0	109.9	Q36 K133 E135	Q36-F111 HydrophobicContact CG-CD1 3.32Å; Q36-F111 HydrophobicContact CG-CE1 3.49Å; Q36-F111 VanDerWaalsContact CG-CE1 3.49Å; Q36-F111 HydrophobicContact CG-CG 4.04Å; Q36-F111 HydrophobicContact CG-CZ 4.34Å; F111-K133 WeakPolarHBondContact CE1-O 3.1Å; F111-E135 HydrophobicContact CD2-CB 4.18Å; F111-E135 HydrophobicContact CD2-CG 4.02Å; F111-E135 HydrophobicContact CE2-CG 4.47Å; F111-E135 HydrophobicContact CG-CB 4.28Å
112	W	90.9	Very high	86.3	Confident	25 Å²	25	72.1 Å²	72.1	10%	0.095	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-67.2	133.4	175.4	-66	-3.2	0	0	0	108.6	W34 Q36 I41 F81 F82 G83 V85 K105 P110 R114	W34-W112 HydrophobicContact CH2-CB 4.39Å; Q36-W112 PolarHBondContact NE2-O 3.06Å; I41-W112 HydrophobicContact CD1-CH2 4.34Å; I41-W112 HydrophobicContact CD1-CZ3 3.97Å; I41-W112 HydrophobicContact CG2-CE3 4.13Å; I41-W112 HydrophobicContact CG2-CH2 4.49Å; I41-W112 HydrophobicContact CG2-CZ3 4.04Å; F81-W112 HydrophobicContact CB-CH2 4.22Å; F81-W112 HydrophobicContact CB-CZ3 4.14Å; F82-W112 HydrophobicContact CB-CD2 4.15Å; F82-W112 HydrophobicContact CB-CE3 3.88Å; F82-W112 HydrophobicContact CB-CG 4.49Å; F82-W112 HydrophobicContact CB-CZ3 4.39Å; F82-W112 HydrophobicContact CD1-CB 3.85Å; F82-W112 AromaticContact CD1-CD1 3.85Å; F82-W112 AromaticContact CD1-CD2 3.91Å; F82-W112 HydrophobicContact CD1-CD2 3.91Å; F82-W112 HydrophobicContact CD1-CE3 4.5Å; F82-W112 AromaticContact CD1-CG 3.61Å; F82-W112 HydrophobicContact CD1-CG 3.61Å; F82-W112 HydrophobicContact CE1-CB 4.43Å; F82-W112 HydrophobicContact CE1-CG 4.31Å; F82-W112 HydrophobicContact CG-CB 4.37Å; F82-W112 HydrophobicContact CG-CD2 4.49Å; F82-W112 HydrophobicContact CG-CG 4.39Å; G83-W112 WeakPolarHBondContact O-CH2 3.41Å; V85-W112 HydrophobicContact CG1-CH2 3.77Å; K105-W112 HydrophobicContact CD-CZ2 4.26Å; K105-W112 HydrophobicContact CG-CZ2 3.93Å; P110-W112 PolarHBondContact O-N 3.07Å; W112-R114 PolarHBondContact O-N 3.42Å; W112-R114 VanDerWaalsContact O-N 3.13Å
113	P	88	Confident	86	Confident	96 Å²	96	80 Å²	80	62%	0.623	40%	0.402	S	S	*	.	S	Bend	trans	-66.9	-16.2	178.9	26.6	-34.2	0	0	0	112.7	F82	F82-P113 HydrophobicContact CD2-CG 4.39Å; F82-P113 HydrophobicContact CE1-CG 4.35Å; F82-P113 HydrophobicContact CE2-CG 3.76Å; F82-P113 HydrophobicContact CZ-CG 3.73Å
114	R	91.9	Very high	85.9	Confident	63 Å²	63	81.2 Å²	81.2	24%	0.238	41%	0.407	C	S	.	.			trans	-164.2	161.1	-179.6	55.8	-176.1	-173.3	-68.9	-9.1	110.3	W34 F82 W112 L116 K117 D118 K119	W34-R114 VanDerWaalsContact CH2-C 3.42Å; W34-R114 VanDerWaalsContact CZ2-C 3.47Å; W34-R114 VanDerWaalsContact CZ2-CA 3.5Å; F82-R114 VanDerWaalsContact CB-O 3.27Å; F82-R114 WeakPolarHBondContact CB-O 3.4Å; F82-R114 HydrophobicContact CD2-CG 4.05Å; W112-R114 PolarHBondContact O-N 3.42Å; W112-R114 VanDerWaalsContact O-N 3.13Å; R114-L116 WeakPolarHBondContact CD-O 3.42Å; R114-L116 VanDerWaalsContact CG-O 3.32Å; R114-L116 WeakPolarHBondContact CG-O 3.32Å; R114-L116 PolarHBondContact NE-O 3.26Å; R114-K117 PolarHBondContact NH2-O 3.17Å; R114-D118 WeakPolarHBondContact CD-O 3.37Å; R114-D118 PolarHBondContact NE-O 3.34Å; R114-K119 VanDerWaalsContact CZ-CG 3.45Å; R114-K119 VanDerWaalsContact NH2-CG 3.35Å
115	L	93.9	Very high	86	Confident	1 Å²	1	79.6 Å²	79.6	1%	0.005	40%	0.4	C	S	.	.	S	Bend	trans	-69.1	-41.7	174.8	-174.8	63.7	0	0	0	112.4	V32 W34 I41 V43 V79 F81 F82	V32-L115 HydrophobicContact CG1-CD2 4.36Å; W34-L115 HydrophobicContact CB-CB 4.46Å; W34-L115 HydrophobicContact CB-CD1 4.31Å; W34-L115 HydrophobicContact CB-CD2 3.86Å; W34-L115 HydrophobicContact CB-CG 4.44Å; W34-L115 HydrophobicContact CD2-CB 3.56Å; W34-L115 HydrophobicContact CD2-CD1 4.14Å; W34-L115 HydrophobicContact CD2-CG 4.29Å; W34-L115 HydrophobicContact CE3-CB 3.91Å; W34-L115 HydrophobicContact CE3-CD1 3.81Å; W34-L115 HydrophobicContact CE3-CG 4.42Å; W34-L115 HydrophobicContact CG-CB 3.76Å; W34-L115 HydrophobicContact CG-CD1 4.33Å; W34-L115 HydrophobicContact CG-CD2 4.02Å; W34-L115 HydrophobicContact CG-CG 4.25Å; W34-L115 HydrophobicContact CZ2-CB 4.38Å; W34-L115 VanDerWaalsContact CZ2-N 3.28Å; W34-L115 HydrophobicContact CZ3-CB 4.41Å; I41-L115 HydrophobicContact CD1-CD1 4.05Å; V43-L115 HydrophobicContact CG2-CD1 4.1Å; V43-L115 HydrophobicContact CG2-CD2 4.43Å; V79-L115 HydrophobicContact CG1-CD2 3.64Å; V79-L115 HydrophobicContact CG1-CG 3.85Å; F81-L115 CarbonylContact C-O 3.59Å; F81-L115 WeakPolarHBondContact CA-O 3.46Å; F81-L115 HydrophobicContact CD1-CD1 3.98Å; F81-L115 HydrophobicContact CE1-CD1 4.19Å; F82-L115 PolarHBondContact N-O 2.69Å
116	L	94.2	Very high	85.9	Confident	21 Å²	21	85.5 Å²	85.5	11%	0.11	43%	0.425	C	S	.	.	B	Isolated β-bridge	trans	-89.1	143.9	-168.6	-63	171	0	0	0	112.4	V79 E80 R114 D118 V122 W124 C125	V79-L116 HydrophobicContact CB-CD2 4.27Å; V79-L116 HydrophobicContact CG1-CD2 3.75Å; E80-L116 CarbonylContact O-C 3.56Å; E80-L116 VanDerWaalsContact O-CA 3.27Å; E80-L116 WeakPolarHBondContact O-CA 3.48Å; R114-L116 WeakPolarHBondContact CD-O 3.42Å; R114-L116 VanDerWaalsContact CG-O 3.32Å; R114-L116 WeakPolarHBondContact CG-O 3.32Å; R114-L116 PolarHBondContact NE-O 3.26Å; L116-D118 VanDerWaalsContact C-N 3.35Å; L116-V122 HydrophobicContact CD1-CG1 4.28Å; L116-V122 HydrophobicContact CD1-CG2 3.45Å; L116-V122 VanDerWaalsContact CD1-CG2 3.45Å; L116-W124 HydrophobicContact CD1-CH2 3.95Å; L116-W124 HydrophobicContact CD1-CZ2 4.28Å; L116-W124 HydrophobicContact CD2-CH2 4Å; L116-C125 HydrophobicContact CD1-CB 4.41Å
117	K	90.8	Very high	85.9	Confident	118 Å²	118	83 Å²	83	51%	0.513	42%	0.417	S	S	.	.	S	Bend	trans	-58.4	-46.9	172.3	-164.8	172.2	-177.7	173.6	0	111.8	E80 R114	E80-K117 HydrophobicContact CB-CB 4.29Å; E80-K117 PolarHBondContact O-N 3.38Å; R114-K117 PolarHBondContact NH2-O 3.17Å
118	D	84.8	Confident	86.1	Confident	107 Å²	107	75.6 Å²	75.6	57%	0.572	38%	0.383	S	S	*	.	S	Bend	trans	-66.1	143.2	175	-163.5	-12.5	0	0	0	111.1	R114 L116 A120	R114-D118 WeakPolarHBondContact CD-O 3.37Å; R114-D118 PolarHBondContact NE-O 3.34Å; L116-D118 VanDerWaalsContact C-N 3.35Å; D118-A120 VanDerWaalsContact C-N 3.3Å; D118-A120 PolarHBondContact OD1-N 2.82Å
119	K	79.4	Confident	86.2	Confident	171 Å²	171	79.5 Å²	79.5	74%	0.743	39%	0.39	S	S	*	.			trans	-79.8	-13.1	173.5	-70.6	179.3	178.3	-178.9	0	112.3	R114 K121	R114-K119 VanDerWaalsContact CZ-CG 3.45Å; R114-K119 VanDerWaalsContact NH2-CG 3.35Å; K119-K121 PolarHBondContact O-N 3.01Å
120	A	77	Confident	86.6	Confident	52 Å²	52	85.5 Å²	85.5	43%	0.43	42%	0.415	S	S	.	.	S	Bend	trans	-59.6	124.7	178.9	0	0	0	0	0	111.5	D118 V122	D118-A120 VanDerWaalsContact C-N 3.3Å; D118-A120 PolarHBondContact OD1-N 2.82Å; A120-V122 PolarHBondContact O-N 2.92Å
121	K	75.1	Confident	86.6	Confident	213 Å²	213	83.9 Å²	83.9	93%	0.926	40%	0.398	S	S	*	.			trans	-73.1	109	175.6	-172.4	177.2	-177.6	176.3	0	109.1	K119	K119-K121 PolarHBondContact O-N 3.01Å
122	V	83.8	Confident	86.2	Confident	40 Å²	40	86 Å²	86	24%	0.242	41%	0.405	C	S	.	.			trans	-91.2	143.1	175.6	-62.8	0	0	0	0	111	L116 A120 W124 C125	L116-V122 HydrophobicContact CD1-CG1 4.28Å; L116-V122 HydrophobicContact CD1-CG2 3.45Å; L116-V122 VanDerWaalsContact CD1-CG2 3.45Å; A120-V122 PolarHBondContact O-N 2.92Å; V122-W124 VanDerWaalsContact C-N 3.3Å; V122-W124 HydrophobicContact CB-CD2 4.19Å; V122-W124 HydrophobicContact CB-CG 4.39Å; V122-W124 HydrophobicContact CB-CZ2 4.09Å; V122-W124 HydrophobicContact CG1-CZ2 4.11Å; V122-W124 HydrophobicContact CG2-CD2 3.83Å; V122-W124 HydrophobicContact CG2-CE3 4.23Å; V122-W124 HydrophobicContact CG2-CG 4.41Å; V122-W124 HydrophobicContact CG2-CH2 4.16Å; V122-W124 HydrophobicContact CG2-CZ2 3.76Å; V122-W124 HydrophobicContact CG2-CZ3 4.37Å; V122-W124 PolarHBondContact O-N 3.37Å; V122-C125 HydrophobicContact CG2-CB 3.48Å; V122-C125 VanDerWaalsContact CG2-CB 3.48Å
123	W	85.2	Confident	85.3	Confident	190 Å²	190	87.1 Å²	87.1	72%	0.72	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-21.6	-175.3	62.7	-92.5	0	0	0	113.6	H29	H29-W123 HydrophobicContact CB-CH2 4.22Å; H29-W123 HydrophobicContact CB-CZ2 4.02Å
124	W	91.4	Very high	84.4	Confident	25 Å²	25	87.1 Å²	87.1	10%	0.095	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-12.5	-174.5	52.9	-105.5	0	0	0	114	H29 V32 H78 V79 L116 V122	H29-W124 HydrophobicContact CB-CG 4.46Å; H29-W124 AromaticContact CD2-CD1 3.66Å; H29-W124 AromaticContact CD2-CE2 3.87Å; H29-W124 AromaticContact CD2-NE1 3.51Å; H29-W124 AromaticContact CE1-CD1 3.79Å; H29-W124 AromaticContact CE1-CD2 3.05Å; H29-W124 AromaticContact CE1-CE2 3.17Å; H29-W124 AromaticContact CE1-CE3 3.32Å; H29-W124 AromaticContact CE1-CG 3.51Å; H29-W124 AromaticContact CE1-CH2 3.8Å; H29-W124 AromaticContact CE1-CZ2 3.57Å; H29-W124 AromaticContact CE1-CZ3 3.69Å; H29-W124 AromaticContact CE1-NE1 3.6Å; H29-W124 AromaticContact CG-CD1 3.57Å; H29-W124 AromaticContact CG-CG 3.68Å; H29-W124 AromaticContact CG-NE1 3.89Å; H29-W124 AromaticContact ND1-CD1 3.66Å; H29-W124 AromaticContact ND1-CD2 3.37Å; H29-W124 AromaticContact ND1-CE2 3.82Å; H29-W124 AromaticContact ND1-CE3 3.79Å; H29-W124 AromaticContact ND1-CG 3.3Å; H29-W124 VanDerWaalsContact ND1-CG 3.3Å; H29-W124 AromaticContact ND1-NE1 3.94Å; H29-W124 AromaticContact NE2-CD1 3.8Å; H29-W124 AromaticContact NE2-CD2 3.6Å; H29-W124 AromaticContact NE2-CE2 3.18Å; H29-W124 AromaticContact NE2-CG 3.98Å; H29-W124 AromaticContact NE2-CZ2 3.45Å; H29-W124 WeakPolarHBondContact NE2-CZ2 3.39Å; H29-W124 AromaticContact NE2-NE1 3.31Å; H29-W124 PolarHBondContact NE2-NE1 3.16Å; V32-W124 HydrophobicContact CB-CE3 4.19Å; V32-W124 HydrophobicContact CB-CZ3 4.28Å; V32-W124 HydrophobicContact CG2-CE3 4.14Å; V32-W124 HydrophobicContact CG2-CZ3 4.17Å; V32-W124 PolarHBondContact N-O 3.23Å; H78-W124 WeakPolarHBondContact O-CH2 3.21Å; V79-W124 HydrophobicContact CG2-CH2 4.24Å; V79-W124 HydrophobicContact CG2-CZ3 4.07Å; L116-W124 HydrophobicContact CD1-CH2 3.95Å; L116-W124 HydrophobicContact CD1-CZ2 4.28Å; L116-W124 HydrophobicContact CD2-CH2 4Å; V122-W124 VanDerWaalsContact C-N 3.3Å; V122-W124 HydrophobicContact CB-CD2 4.19Å; V122-W124 HydrophobicContact CB-CG 4.39Å; V122-W124 HydrophobicContact CB-CZ2 4.09Å; V122-W124 HydrophobicContact CG1-CZ2 4.11Å; V122-W124 HydrophobicContact CG2-CD2 3.83Å; V122-W124 HydrophobicContact CG2-CE3 4.23Å; V122-W124 HydrophobicContact CG2-CG 4.41Å; V122-W124 HydrophobicContact CG2-CH2 4.16Å; V122-W124 HydrophobicContact CG2-CZ2 3.76Å; V122-W124 HydrophobicContact CG2-CZ3 4.37Å; V122-W124 PolarHBondContact O-N 3.37Å
125	C	91.8	Very high	83.1	Confident	24 Å²	24	89.7 Å²	89.7	16%	0.162	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	123.8	178.8	-169.8	0	0	0	0	110.9	V32 L116 V122	V32-C125 CarbonylContact O-C 3.55Å; V32-C125 VanDerWaalsContact O-CA 3.28Å; V32-C125 WeakPolarHBondContact O-CA 3.42Å; L116-C125 HydrophobicContact CD1-CB 4.41Å; V122-C125 HydrophobicContact CG2-CB 3.48Å; V122-C125 VanDerWaalsContact CG2-CB 3.48Å
126	K	91.7	Very high	81.6	Confident	137 Å²	137	96.7 Å²	96.7	60%	0.596	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134	161.7	-177.9	-65.5	179	-175.7	171.5	0	112.1	V32 E33 W34	V32-K126 PolarHBondContact O-N 3.09Å; E33-K126 CarbonylContact C-O 3.49Å; E33-K126 VanDerWaalsContact CA-O 3.23Å; E33-K126 WeakPolarHBondContact CA-O 3.46Å; W34-K126 VanDerWaalsContact CD1-O 3.25Å; W34-K126 PolarHBondContact N-O 3.23Å
127	I	89.7	Confident	79.5	Confident	60 Å²	60	100.2 Å²	100.2	31%	0.308	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	131.7	174.8	-65.5	172.1	0	0	0	109.3	W34 F129 W132	W34-I127 CarbonylContact O-C 3.42Å; W34-I127 WeakPolarHBondContact O-CA 3.17Å; I127-F129 HydrophobicContact CB-CE2 4.1Å; I127-F129 HydrophobicContact CB-CZ 4.18Å; I127-F129 HydrophobicContact CG2-CD1 4.25Å; I127-F129 HydrophobicContact CG2-CD2 4.35Å; I127-F129 HydrophobicContact CG2-CE1 4.16Å; I127-F129 HydrophobicContact CG2-CE2 4.27Å; I127-F129 HydrophobicContact CG2-CG 4.36Å; I127-F129 HydrophobicContact CG2-CZ 4.17Å; I127-F129 WeakPolarHBondContact O-CD2 3.24Å; I127-F129 PolarHBondContact O-N 3.25Å; I127-W132 HydrophobicContact CD1-CH2 4.25Å; I127-W132 HydrophobicContact CD1-CZ3 4.04Å; I127-W132 HydrophobicContact CG1-CZ3 4.23Å; I127-W132 HydrophobicContact CG2-CB 4.37Å; I127-W132 HydrophobicContact CG2-CD2 3.87Å; I127-W132 HydrophobicContact CG2-CE3 3.29Å; I127-W132 HydrophobicContact CG2-CG 4.34Å; I127-W132 HydrophobicContact CG2-CZ3 3.83Å
128	D	88.7	Confident	77.2	Confident	5 Å²	5	101.3 Å²	101.3	3%	0.027	49%	0.493	C	S	.	.			trans	-81.5	92.8	168.9	-176.7	-7	0	0	0	109.1	E33 W34 A35 N130 K131 W132	E33-D128 HydrophobicContact CB-CB 4.01Å; W34-D128 PolarHBondContact O-N 3.31Å; A35-D128 HydrophobicContact CB-CB 4.21Å; D128-N130 PolarHBondContact O-N 2.86Å; D128-N130 WeakPolarHBondContact OD1-CB 3.43Å; D128-N130 PolarHBondContact OD1-N 3.32Å; D128-K131 CarbonylContact O-C 3.49Å; D128-K131 PolarHBondContact O-N 3.04Å; D128-K131 VanDerWaalsContact O-N 3.09Å; D128-K131 PolarHBondContact OD1-N 3.25Å; D128-W132 PolarHBondContact O-N 3.45Å
129	F	82.9	Confident	75	Confident	157 Å²	157	98 Å²	98	69%	0.689	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-21.7	-179.8	-72	-79.1	0	0	0	113.7	I127 K131 W132	I127-F129 HydrophobicContact CB-CE2 4.1Å; I127-F129 HydrophobicContact CB-CZ 4.18Å; I127-F129 HydrophobicContact CG2-CD1 4.25Å; I127-F129 HydrophobicContact CG2-CD2 4.35Å; I127-F129 HydrophobicContact CG2-CE1 4.16Å; I127-F129 HydrophobicContact CG2-CE2 4.27Å; I127-F129 HydrophobicContact CG2-CG 4.36Å; I127-F129 HydrophobicContact CG2-CZ 4.17Å; I127-F129 WeakPolarHBondContact O-CD2 3.24Å; I127-F129 PolarHBondContact O-N 3.25Å; F129-K131 PolarHBondContact O-N 2.62Å; F129-W132 HydrophobicContact CD1-CB 4.47Å; F129-W132 PolarHBondContact O-N 2.83Å
130	N	79.5	Confident	73	Confident	156 Å²	156	95.6 Å²	95.6	83%	0.834	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-20.9	175.2	-58.7	-58	0	0	0	111.9	D128	D128-N130 PolarHBondContact O-N 2.86Å; D128-N130 WeakPolarHBondContact OD1-CB 3.43Å; D128-N130 PolarHBondContact OD1-N 3.32Å
131	K	81.6	Confident	70.9	Confident	60 Å²	60	100.3 Å²	100.3	26%	0.261	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-3.1	177.5	-67.6	-172.3	-177	-62.8	0	112.7	A35 R37 Y42 D128 F129	A35-K131 HydrophobicContact CB-CB 3.56Å; R37-K131 VanDerWaalsContact CZ-O 3.26Å; R37-K131 PolarHBondContact NH1-O 3.29Å; R37-K131 PolarHBondContact NH2-O 2.98Å; Y42-K131 HydrophobicContact CD1-CD 3.94Å; Y42-K131 HydrophobicContact CD2-CB 4.45Å; Y42-K131 HydrophobicContact CD2-CD 4.21Å; Y42-K131 HydrophobicContact CE1-CD 4.45Å; Y42-K131 HydrophobicContact CG-CD 3.82Å; D128-K131 CarbonylContact O-C 3.49Å; D128-K131 PolarHBondContact O-N 3.04Å; D128-K131 VanDerWaalsContact O-N 3.09Å; D128-K131 PolarHBondContact OD1-N 3.25Å; F129-K131 PolarHBondContact O-N 2.62Å
132	W	78.3	Confident	69.1	Low	85 Å²	85	96.6 Å²	96.6	32%	0.322	50%	0.497	S	S	.	.			trans	-63.2	140.6	179.7	-172.4	-96.9	0	0	0	111	I127 D128 F129 D134	I127-W132 HydrophobicContact CD1-CH2 4.25Å; I127-W132 HydrophobicContact CD1-CZ3 4.04Å; I127-W132 HydrophobicContact CG1-CZ3 4.23Å; I127-W132 HydrophobicContact CG2-CB 4.37Å; I127-W132 HydrophobicContact CG2-CD2 3.87Å; I127-W132 HydrophobicContact CG2-CE3 3.29Å; I127-W132 HydrophobicContact CG2-CG 4.34Å; I127-W132 HydrophobicContact CG2-CZ3 3.83Å; D128-W132 PolarHBondContact O-N 3.45Å; F129-W132 HydrophobicContact CD1-CB 4.47Å; F129-W132 PolarHBondContact O-N 2.83Å; W132-D134 PolarHBondContact NE1-OD1 2.85Å
133	K	71.6	Confident	66.7	Low	49 Å²	49	102.6 Å²	102.6	21%	0.213	53%	0.528	C	S	.	.			trans	-144	132.2	174.2	-170.8	175.8	-178.2	-178.5	0	106.9	F111 D137	F111-K133 WeakPolarHBondContact CE1-O 3.1Å; K133-D137 WeakPolarHBondContact CE-O 3.35Å; K133-D137 HydrophobicContact CG-CB 4.16Å
134	D	69.5	Low	63.9	Low	95 Å²	95	102.2 Å²	102.2	51%	0.508	53%	0.531	S	S	.	.			trans	-76.7	152.8	179.1	-72.1	-30.4	0	0	0	111.2	W132 D136 D137	W132-D134 PolarHBondContact NE1-OD1 2.85Å; D134-D136 PolarHBondContact O-N 2.71Å; D134-D137 WeakPolarHBondContact O-CB 3.16Å; D134-D137 PolarHBondContact O-N 3.5Å
135	E	65.5	Low	61.2	Low	118 Å²	118	104.7 Å²	104.7	55%	0.551	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-28.3	-177.8	-171.9	165.4	-159.5	0	0	112.2	F111 D137	F111-E135 HydrophobicContact CD2-CB 4.18Å; F111-E135 HydrophobicContact CD2-CG 4.02Å; F111-E135 HydrophobicContact CE2-CG 4.47Å; F111-E135 HydrophobicContact CG-CB 4.28Å; E135-D137 VanDerWaalsContact C-N 3.3Å; E135-D137 PolarHBondContact O-N 3.19Å
136	D	60.6	Low	58.6	Low	147 Å²	147	108.2 Å²	108.2	79%	0.786	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	-1.5	-178.2	-60.8	-32.7	0	0	0	113.8	D134 T138	D134-D136 PolarHBondContact O-N 2.71Å; D136-T138 PolarHBondContact O-N 3.47Å
137	D	51.4	Low	55.7	Low	95 Å²	95	105.9 Å²	105.9	51%	0.508	56%	0.563	S	S	.	*			trans	-84.8	78.8	-170.1	-151.9	12.1	0	0	0	111.1	K133 D134 E135 G139	K133-D137 WeakPolarHBondContact CE-O 3.35Å; K133-D137 HydrophobicContact CG-CB 4.16Å; D134-D137 WeakPolarHBondContact O-CB 3.16Å; D134-D137 PolarHBondContact O-N 3.5Å; E135-D137 VanDerWaalsContact C-N 3.3Å; E135-D137 PolarHBondContact O-N 3.19Å; D137-G139 PolarHBondContact O-N 3.2Å
138	T	42.8	Very low	52.7	Low	141 Å²	141	112.4 Å²	112.4	87%	0.865	59%	0.585	S	S	*	*			trans	-75.8	24.7	-178.2	57.5	0	0	0	0	114.6	D136 S140	D136-T138 PolarHBondContact O-N 3.47Å; T138-S140 PolarHBondContact O-N 2.87Å
139	G	38.5	Very low	49.6	Very low	39 Å²	39	119.1 Å²	119.1	40%	0.402	62%	0.621	S	S	.	*			trans	-67.6	126.2	178.4	0	0	0	0	0	113.1	D137 L141	D137-G139 PolarHBondContact O-N 3.2Å; G139-L141 PolarHBondContact O-N 2.85Å
140	S	36.8	Very low	47	Very low	119 Å²	119	118.6 Å²	118.6	83%	0.832	63%	0.63	S	S	*	*	S	Bend	trans	-71.1	39.1	-174	54.6	0	0	0	0	116.2	T138	T138-S140 PolarHBondContact O-N 2.87Å
141	L	33.3	Very low	44.3	Very low	152 Å²	152	114.3 Å²	114.3	80%	0.796	62%	0.622	S	S	*	*			trans	-108.9	45.9	174.5	-66.3	171.9	0	0	0	111.5	G139 N143	G139-L141 PolarHBondContact O-N 2.85Å; L141-N143 VanDerWaalsContact C-N 3.32Å; L141-N143 PolarHBondContact O-N 3.46Å; L141-N143 VanDerWaalsContact O-N 3.12Å
142	D	37.8	Very low	41.4	Very low	135 Å²	135	118.1 Å²	118.1	72%	0.722	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	87	162.1	-74.3	-22.8	0	0	0	107.6
143	N	31.8	Very low	38.8	Very low	165 Å²	165	120.8 Å²	120.8	88%	0.882	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	159.6	29.4	152.5	-79.8	-24.2	0	0	0	114.8	L141	L141-N143 VanDerWaalsContact C-N 3.32Å; L141-N143 PolarHBondContact O-N 3.46Å; L141-N143 VanDerWaalsContact O-N 3.12Å
144	F	26.8	Very low	36.4	Very low	182 Å²	182	121.7 Å²	121.7	80%	0.798	70%	0.699	S	S	*	*			trans	-96.6	93.8	166.3	-142.6	-97.1	0	0	0	109.5	P146	F144-P146 HydrophobicContact CD1-CB 4.09Å; F144-P146 HydrophobicContact CD1-CG 4.38Å; F144-P146 HydrophobicContact CE1-CB 4.12Å; F144-P146 WeakPolarHBondContact O-CD 3.14Å
145	D	34	Very low	34.1	Very low	78 Å²	78	124.7 Å²	124.7	42%	0.417	72%	0.715	S	S	.	*			trans	-91.7	99.8	163.1	-174.5	-2.8	0	0	0	107.5	R91 L147	R91-D145 IonicContact NH1-OD2 2.62Å; R91-D145 PolarHBondContact NH1-OD2 3.5Å; D145-L147 PolarHBondContact O-N 2.85Å; D145-L147 VanDerWaalsContact O-N 3.09Å; D145-L147 PolarHBondContact OD1-N 3.09Å
146	P	37	Very low	32	Very low	98 Å²	98	125.8 Å²	125.8	64%	0.636	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	17.7	-174.6	22.6	-12.8	0	0	0	113.3	F144	F144-P146 HydrophobicContact CD1-CB 4.09Å; F144-P146 HydrophobicContact CD1-CG 4.38Å; F144-P146 HydrophobicContact CE1-CB 4.12Å; F144-P146 WeakPolarHBondContact O-CD 3.14Å
147	L	32.4	Very low	30	Very low	87 Å²	87	127.7 Å²	127.7	46%	0.455	73%	0.732	S	S	.	*	T	Hydrogen-bonded Turn	trans	-104.2	2.6	-177.3	-119.2	93	0	0	0	115.7	I93 D145 D149	I93-L147 HydrophobicContact CD1-CD2 3.82Å; I93-L147 HydrophobicContact CG1-CD2 4.39Å; I93-L147 HydrophobicContact CG2-CD2 4.21Å; D145-L147 PolarHBondContact O-N 2.85Å; D145-L147 VanDerWaalsContact O-N 3.09Å; D145-L147 PolarHBondContact OD1-N 3.09Å; L147-D149 PolarHBondContact O-N 2.78Å
148	Y	25.8	Very low	28.4	Very low	198 Å²	198	129 Å²	129	78%	0.776	74%	0.743	S	S	*	*	S	Bend	trans	-89.3	92.3	161.9	-78.8	-88.8	0	0	0	108.1
149	D	23.5	Very low	27.3	Very low	146 Å²	146	131.6 Å²	131.6	78%	0.781	74%	0.743	S	S	*	*			trans	149.4	82.3	142.5	-160.9	19.8	0	0	0	110.6	L147	L147-D149 PolarHBondContact O-N 2.78Å
150	V	27.7	Very low	26.4	Very low	146 Å²	146	135.6 Å²	135.6	89%	0.885	76%	0.759	S	S	*	*			trans	-137.9	93.9	153.5	-163.6	0	0	0	0	107.7
151	G	24	Very low	25.7	Very low	65 Å²	65	135.5 Å²	135.5	67%	0.67	75%	0.754	S	S	*	*			trans	-60	139.4	174.7	0	0	0	0	0	112.9
152	V	20.5	Very low	25.1	Very low	140 Å²	140	133.6 Å²	133.6	85%	0.848	75%	0.753	S	S	*	*			trans	-72.1	127.5	170.8	174.4	0	0	0	0	110
153	T	23.6	Very low	24.5	Very low	141 Å²	141	136.6 Å²	136.6	87%	0.865	76%	0.76	S	S	*	*			trans	177.6	135.8	142.9	46.4	0	0	0	0	106.5
154	G	20.6	Very low	24	Very low	68 Å²	68	135.7 Å²	135.7	70%	0.701	76%	0.755	S	S	*	*			cis	148.3	123.6	15.6	0	0	0	0	0	106.9
155	N	20.6	Very low	24	Very low	158 Å²	158	132.4 Å²	132.4	85%	0.845	76%	0.755	S	S	*	*			trans	33	120.4	157.5	-62.6	-19.1	0	0	0	120.4
156	V	21.6	Very low	23.7	Very low	142 Å²	142	136.6 Å²	136.6	86%	0.861	78%	0.776	S	S	*	*			trans	-150.1	128.1	130.2	177.5	0	0	0	0	112.1
157	F	19.5	Very low	23.2	Very low	187 Å²	187	135.1 Å²	135.1	82%	0.82	78%	0.779	S	S	*	*			trans	-11.3	139.3	166.6	-73	-93.7	0	0	0	123.9
158	V	18.1	Very low	23	Very low	122 Å²	122	139.9 Å²	139.9	74%	0.739	80%	0.804	S	S	*	*			trans	-72.2	130.6	164.5	-179.9	0	0	0	0	110.9	T160	V158-T160 HydrophobicContact CG1-CG2 4.18Å
159	F	19.8	Very low	22.9	Very low	196 Å²	196	133.3 Å²	133.3	86%	0.86	80%	0.796	S	S	*	*			trans	-115.6	114.5	156.3	-91.5	-83.7	0	0	0	109.4
160	T	18.8	Very low	23	Very low	123 Å²	123	132.9 Å²	132.9	76%	0.755	80%	0.803	S	S	*	*			trans	-84.3	125.1	164.8	44.8	0	0	0	0	109.3	V158	V158-T160 HydrophobicContact CG1-CG2 4.18Å
161	T	22.1	Very low	23.2	Very low	117 Å²	117	136.5 Å²	136.5	72%	0.718	80%	0.801	S	S	*	*			trans	-132.2	124	156.2	47	0	0	0	0	110.1
162	S	21.1	Very low	23.6	Very low	111 Å²	111	139.3 Å²	139.3	78%	0.776	80%	0.8	S	S	*	*			trans	-66.7	130.8	176	59.9	0	0	0	0	110.7
163	F	24.3	Very low	24.3	Very low	199 Å²	199	136.6 Å²	136.6	87%	0.873	79%	0.793	S	S	*	*			trans	-93.6	109.5	166.2	-92.5	-92	0	0	0	109.6
164	N	23.2	Very low	24.5	Very low	145 Å²	145	133.3 Å²	133.3	78%	0.775	78%	0.779	S	S	*	*			trans	-85	147.9	163.7	-102.4	-18	0	0	0	110.2
165	S	25	Very low	25.1	Very low	113 Å²	113	134 Å²	134	79%	0.79	77%	0.771	S	S	*	*			trans	-36.8	137.4	179.2	63.5	0	0	0	0	115.9
166	L	28.1	Very low	26.2	Very low	167 Å²	167	130.9 Å²	130.9	87%	0.874	76%	0.757	S	S	*	*			trans	-125.2	108.7	161.4	-94.5	156.1	0	0	0	109.9
167	G	26.5	Very low	26.9	Very low	67 Å²	67	127.1 Å²	127.1	69%	0.691	74%	0.741	S	S	*	*			trans	-62	147.9	169.7	0	0	0	0	0	112.2	G169	G167-G169 PolarHBondContact O-N 2.79Å
168	L	28.2	Very low	27.8	Very low	187 Å²	187	126 Å²	126	98%	0.979	74%	0.736	S	S	*	*			trans	-68.6	110.6	-179.5	-70.5	96.3	0	0	0	110.8
169	G	24	Very low	29.4	Very low	59 Å²	59	128.2 Å²	128.2	61%	0.608	73%	0.731	S	S	*	*			trans	-109.1	127.9	163.7	0	0	0	0	0	110.3	G167 R171	G167-G169 PolarHBondContact O-N 2.79Å; G169-R171 PolarHBondContact O-N 2.93Å; G169-R171 VanDerWaalsContact O-N 3.13Å
170	C	26.8	Very low	31.3	Very low	137 Å²	137	121.3 Å²	121.3	93%	0.926	71%	0.707	S	S	*	*			trans	-48	111.2	177.4	-57.9	0	0	0	0	111.8
171	R	31.5	Very low	33.5	Very low	223 Å²	223	119 Å²	119	84%	0.842	70%	0.696	S	S	*	*			trans	-98.7	132.5	175.9	-79.1	-174.8	173.6	-177.4	-0.7	111.7	G169	G169-R171 PolarHBondContact O-N 2.93Å; G169-R171 VanDerWaalsContact O-N 3.13Å
172	N	31.7	Very low	36	Very low	124 Å²	124	116.8 Å²	116.8	66%	0.663	69%	0.685	S	S	*	*			trans	-55.7	141.1	-174.1	-69.3	-35.2	0	0	0	115.2	A174 T175	N172-A174 PolarHBondContact O-N 2.86Å; N172-A174 VanDerWaalsContact O-N 3.1Å; N172-T175 PolarHBondContact O-N 3.49Å; N172-T175 PolarHBondContact O-OG1 3.4Å
173	A	36	Very low	38.8	Very low	83 Å²	83	112.2 Å²	112.2	69%	0.686	65%	0.652	S	S	*	*	H	α-helix	trans	-53.7	-30.5	179.9	0	0	0	0	0	115	T175 T176 A177	A173-T175 VanDerWaalsContact C-N 3.32Å; A173-T175 PolarHBondContact O-N 3.24Å; A173-T176 PolarHBondContact O-N 2.92Å; A173-A177 PolarHBondContact O-N 2.86Å
174	A	27.7	Very low	41.2	Very low	71 Å²	71	103.9 Å²	103.9	59%	0.587	62%	0.619	S	S	*	*	H	α-helix	trans	-65.9	-32.8	177.7	0	0	0	0	0	113.1	N172 K178	N172-A174 PolarHBondContact O-N 2.86Å; N172-A174 VanDerWaalsContact O-N 3.1Å; A174-K178 PolarHBondContact O-N 3.44Å
175	T	32.7	Very low	43.8	Very low	84 Å²	84	101.1 Å²	101.1	52%	0.515	62%	0.617	S	S	.	*	H	α-helix	trans	-72.6	-37.8	177.3	-31.9	0	0	0	0	110.5	N172 A173 R179	N172-T175 PolarHBondContact O-N 3.49Å; N172-T175 PolarHBondContact O-OG1 3.4Å; A173-T175 VanDerWaalsContact C-N 3.32Å; A173-T175 PolarHBondContact O-N 3.24Å; T175-R179 WeakPolarHBondContact O-CB 3.42Å; T175-R179 PolarHBondContact O-N 3.02Å
176	T	43.7	Very low	46.7	Very low	91 Å²	91	98.1 Å²	98.1	56%	0.558	59%	0.588	S	S	*	*	H	α-helix	trans	-63.7	-43.2	175.1	-44.1	0	0	0	0	111.5	A173 R179 S180	A173-T176 PolarHBondContact O-N 2.92Å; T176-R179 PolarHBondContact O-N 2.83Å; T176-S180 WeakPolarHBondContact O-CB 3.42Å; T176-S180 PolarHBondContact O-N 3.34Å
177	A	36.9	Very low	49.6	Very low	63 Å²	63	94.3 Å²	94.3	52%	0.521	56%	0.563	S	S	.	*	H	α-helix	trans	-63.4	-47.3	178.3	0	0	0	0	0	112.7	A173 R179 S180 S181	A173-A177 PolarHBondContact O-N 2.86Å; A177-R179 VanDerWaalsContact C-N 3.33Å; A177-R179 PolarHBondContact O-N 3.31Å; A177-S180 PolarHBondContact O-N 2.77Å; A177-S181 PolarHBondContact O-N 3.48Å
178	K	37.2	Very low	52.7	Low	165 Å²	165	91.3 Å²	91.3	72%	0.717	53%	0.531	S	S	*	.	H	α-helix	trans	-62.6	-38.3	175.5	-76.5	-174.1	178.4	-177.8	0	112.6	A174 S181 S182	A174-K178 PolarHBondContact O-N 3.44Å; K178-S181 PolarHBondContact O-OG 3.32Å; K178-S182 PolarHBondContact O-N 3.48Å; K178-S182 VanDerWaalsContact O-N 3.16Å; K178-S182 PolarHBondContact O-OG 2.77Å
179	R	51.5	Low	55.8	Low	167 Å²	167	84.2 Å²	84.2	63%	0.63	50%	0.504	S	S	*	.	H	α-helix	trans	-66.5	-45.2	177.2	-161.5	175.4	-177.1	-172.4	-0.2	110.7	T175 T176 A177 S181 S182 I183	T175-R179 WeakPolarHBondContact O-CB 3.42Å; T175-R179 PolarHBondContact O-N 3.02Å; T176-R179 PolarHBondContact O-N 2.83Å; A177-R179 VanDerWaalsContact C-N 3.33Å; A177-R179 PolarHBondContact O-N 3.31Å; R179-S181 PolarHBondContact O-N 3.09Å; R179-S182 PolarHBondContact O-N 3.42Å; R179-S182 PolarHBondContact O-OG 3.44Å; R179-I183 HydrophobicContact CG-CD1 4.2Å; R179-I183 WeakPolarHBondContact O-CG1 3.24Å; R179-I183 PolarHBondContact O-N 3.25Å
180	S	60.1	Low	59.2	Low	52 Å²	52	81.8 Å²	81.8	36%	0.364	48%	0.476	S	S	.	.	H	α-helix	trans	-60.1	-40.4	176	-172.8	0	0	0	0	113	T176 A177 A184	T176-S180 WeakPolarHBondContact O-CB 3.42Å; T176-S180 PolarHBondContact O-N 3.34Å; A177-S180 PolarHBondContact O-N 2.77Å; S180-A184 WeakPolarHBondContact O-CB 3.41Å; S180-A184 PolarHBondContact O-N 2.97Å
181	S	65.3	Low	62.4	Low	75 Å²	75	76.9 Å²	76.9	52%	0.524	44%	0.443	S	S	.	.	H	α-helix	trans	-68.5	-37.7	178.3	64.7	0	0	0	0	112.2	A177 K178 R179 A184 A185	A177-S181 PolarHBondContact O-N 3.48Å; K178-S181 PolarHBondContact O-OG 3.32Å; R179-S181 PolarHBondContact O-N 3.09Å; S181-A184 PolarHBondContact O-N 2.98Å; S181-A185 PolarHBondContact O-N 2.98Å
182	S	75.7	Confident	65.5	Low	69 Å²	69	66.3 Å²	66.3	48%	0.483	40%	0.403	S	S	.	.	H	α-helix	trans	-66.8	-37.5	176.4	68.3	0	0	0	0	113.4	K178 R179 A185 R186	K178-S182 PolarHBondContact O-N 3.48Å; K178-S182 VanDerWaalsContact O-N 3.16Å; K178-S182 PolarHBondContact O-OG 2.77Å; R179-S182 PolarHBondContact O-N 3.42Å; R179-S182 PolarHBondContact O-OG 3.44Å; S182-A185 PolarHBondContact O-N 2.82Å; S182-R186 PolarHBondContact O-N 3.49Å
183	I	78.4	Confident	68.4	Low	15 Å²	15	61.5 Å²	61.5	8%	0.077	38%	0.379	C	S	.	.	H	α-helix	trans	-68.1	-45.9	175.6	-64.5	162.4	0	0	0	109.6	R179 A185 R186 L188 D306 W310	R179-I183 HydrophobicContact CG-CD1 4.2Å; R179-I183 WeakPolarHBondContact O-CG1 3.24Å; R179-I183 PolarHBondContact O-N 3.25Å; I183-A185 PolarHBondContact O-N 3.22Å; I183-R186 PolarHBondContact O-N 3.42Å; I183-R186 VanDerWaalsContact O-N 3.09Å; I183-L188 HydrophobicContact CG2-CD1 4.37Å; I183-L188 HydrophobicContact CG2-CD2 4.39Å; I183-D306 HydrophobicContact CD1-CB 3.87Å; I183-D306 HydrophobicContact CG1-CB 4.31Å; I183-W310 HydrophobicContact CG2-CB 3.75Å; I183-W310 HydrophobicContact CG2-CD2 4.17Å; I183-W310 HydrophobicContact CG2-CG 3.8Å
184	A	75.1	Confident	71.1	Confident	24 Å²	24	60.3 Å²	60.3	20%	0.198	37%	0.365	C	S	.	.	H	α-helix	trans	-59.7	-33.9	178	0	0	0	0	0	111.9	S180 S181 R186 S194 W310	S180-A184 WeakPolarHBondContact O-CB 3.41Å; S180-A184 PolarHBondContact O-N 2.97Å; S181-A184 PolarHBondContact O-N 2.98Å; A184-R186 VanDerWaalsContact C-N 3.32Å; A184-R186 PolarHBondContact O-N 3.23Å; A184-S194 WeakPolarHBondContact O-CB 3.34Å; A184-S194 PolarHBondContact O-OG 3.33Å; A184-W310 HydrophobicContact CB-CZ2 3.92Å
185	A	77.1	Confident	74.2	Confident	88 Å²	88	58.8 Å²	58.8	73%	0.727	35%	0.35	S	S	*	.	H	α-helix	trans	-74.6	-17.2	178.6	0	0	0	0	0	114.4	S181 S182 I183	S181-A185 PolarHBondContact O-N 2.98Å; S182-A185 PolarHBondContact O-N 2.82Å; I183-A185 PolarHBondContact O-N 3.22Å
186	R	86.8	Confident	77.2	Confident	49 Å²	49	57.1 Å²	57.1	19%	0.185	34%	0.336	C	S	.	.	S	Bend	trans	-88.7	141	-176	-180	168.3	67.2	101.7	-6.2	111.1	S182 I183 A184 L188 R291 M302 A303 D306	S182-R186 PolarHBondContact O-N 3.49Å; I183-R186 PolarHBondContact O-N 3.42Å; I183-R186 VanDerWaalsContact O-N 3.09Å; A184-R186 VanDerWaalsContact C-N 3.32Å; A184-R186 PolarHBondContact O-N 3.23Å; R186-L188 HydrophobicContact CB-CD2 4.29Å; R186-L188 HydrophobicContact CG-CD2 4.22Å; R186-L188 WeakPolarHBondContact O-CG 3.44Å; R186-R291 VanDerWaalsContact CZ-NH1 3.31Å; R186-R291 VanDerWaalsContact NH1-NE 3.12Å; R186-M302 PolarHBondContact NH1-O 2.99Å; R186-A303 PolarHBondContact NH2-O 3.28Å; R186-D306 VanDerWaalsContact NH2-CG 3.27Å; R186-D306 IonicContact NH2-OD1 3.04Å; R186-D306 PolarHBondContact NH2-OD1 3.42Å; R186-D306 IonicContact NH2-OD2 3.74Å; R186-D306 PolarHBondContact NH2-OD2 3.12Å
187	Y	88	Confident	79.6	Confident	88 Å²	88	57.2 Å²	57.2	35%	0.345	34%	0.339	S	S	.	.			trans	-72.5	127.5	167.2	-172.5	-125.9	0	0	0	110.2	Q190 H196 P301	Y187-Q190 VanDerWaalsContact CE2-C 3.41Å; Y187-Q190 WeakPolarHBondContact CE2-O 3.47Å; Y187-H196 AromaticContact CE2-CE1 3.43Å; Y187-H196 VanDerWaalsContact CE2-CE1 3.43Å; Y187-H196 WeakPolarHBondContact CE2-CE1 3.43Å; Y187-H196 AromaticContact CE2-ND1 3.89Å; Y187-P301 HydrophobicContact CD1-CB 4.27Å; Y187-P301 HydrophobicContact CD1-CG 3.89Å; Y187-P301 VanDerWaalsContact O-CB 3.25Å; Y187-P301 WeakPolarHBondContact O-CB 3.44Å
188	L	92.2	Very high	82.4	Confident	3 Å²	3	61.1 Å²	61.1	2%	0.016	35%	0.346	C	S	.	.			trans	-104.7	22.3	-168.3	-58.1	179.9	0	0	0	113	I183 R186 Q190 A303 W310 L311	I183-L188 HydrophobicContact CG2-CD1 4.37Å; I183-L188 HydrophobicContact CG2-CD2 4.39Å; R186-L188 HydrophobicContact CB-CD2 4.29Å; R186-L188 HydrophobicContact CG-CD2 4.22Å; R186-L188 WeakPolarHBondContact O-CG 3.44Å; L188-Q190 PolarHBondContact O-N 2.84Å; L188-A303 HydrophobicContact CB-CB 4.09Å; L188-A303 WeakPolarHBondContact O-CA 3.39Å; L188-A303 WeakPolarHBondContact O-CB 3.3Å; L188-A303 PolarHBondContact O-N 3.45Å; L188-W310 HydrophobicContact CD1-CE3 3.58Å; L188-W310 HydrophobicContact CD1-CZ3 3.9Å; L188-L311 HydrophobicContact CB-CD1 3.94Å; L188-L311 HydrophobicContact CD1-CD1 3.83Å; L188-L311 HydrophobicContact CD1-CD2 4.12Å; L188-L311 HydrophobicContact CD1-CG 3.69Å
189	G	93.1	Very high	85.1	Confident	39 Å²	39	56.6 Å²	56.6	40%	0.402	33%	0.329	S	S	.	.	S	Bend	trans	77.9	2.6	-176.9	0	0	0	0	0	114.8	P301	G189-P301 WeakPolarHBondContact CA-O 3.3Å; G189-P301 PolarHBondContact N-O 2.99Å
190	Q	95.6	Very high	87.2	Confident	7 Å²	7	48.9 Å²	48.9	3%	0.033	30%	0.3	C	S	.	.	S	Bend	trans	-150.5	158.4	171.2	66	-179.3	76	0	0	110.5	Y187 L188 S192 G265 R267 L311	Y187-Q190 VanDerWaalsContact CE2-C 3.41Å; Y187-Q190 WeakPolarHBondContact CE2-O 3.47Å; L188-Q190 PolarHBondContact O-N 2.84Å; Q190-S192 PolarHBondContact O-N 2.93Å; Q190-G265 PolarHBondContact NE2-O 3.33Å; Q190-R267 HydrophobicContact CB-CB 4.22Å; Q190-L311 HydrophobicContact CG-CD1 3.88Å
191	P	95.1	Very high	88.9	Confident	35 Å²	35	48 Å²	48	23%	0.227	30%	0.299	C	S	.	.			trans	-51	137.1	171.3	-29	37.2	0	0	0	112.4	H196 I200	P191-H196 HydrophobicContact CB-CB 3.95Å; P191-I200 HydrophobicContact CB-CD1 3.97Å; P191-I200 HydrophobicContact CB-CG1 3.68Å
192	S	95.1	Very high	90.2	Very high	0 Å²	0	53 Å²	53	0%	0	31%	0.312	C	S	.	.			trans	-139.6	164.2	179.2	71.7	0	0	0	0	109.7	Q190 S194 S195 H196	Q190-S192 PolarHBondContact O-N 2.93Å; S192-S194 PolarHBondContact O-N 3.42Å; S192-S194 VanDerWaalsContact O-N 3.08Å; S192-S194 PolarHBondContact OG-OG 3.37Å; S192-S195 PolarHBondContact N-OG 3.34Å; S192-S195 PolarHBondContact O-N 3.46Å; S192-S195 VanDerWaalsContact O-N 3.17Å; S192-S195 PolarHBondContact O-OG 3Å; S192-S195 WeakPolarHBondContact OG-CB 3.49Å; S192-S195 PolarHBondContact OG-N 2.64Å; S192-S195 PolarHBondContact OG-OG 3.11Å; S192-H196 CarbonylContact O-C 3.51Å; S192-H196 PolarHBondContact O-N 2.81Å
193	P	94.2	Very high	91	Very high	24 Å²	24	55.2 Å²	55.2	16%	0.156	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-29.9	-179.6	-22.9	29.6	0	0	0	114.2	P197 I200 G201 K202 C204	P193-P197 WeakPolarHBondContact O-CA 3.33Å; P193-P197 WeakPolarHBondContact O-CB 3.37Å; P193-I200 HydrophobicContact CG-CG2 3.87Å; P193-G201 VanDerWaalsContact CG-O 3.28Å; P193-G201 WeakPolarHBondContact CG-O 3.45Å; P193-K202 WeakPolarHBondContact CG-O 3.43Å; P193-C204 WeakPolarHBondContact CG-O 3.48Å
194	S	92.1	Very high	91.9	Very high	58 Å²	58	55.6 Å²	55.6	41%	0.406	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-33.8	-179.7	49.3	0	0	0	0	113.8	A184 S192	A184-S194 WeakPolarHBondContact O-CB 3.34Å; A184-S194 PolarHBondContact O-OG 3.33Å; S192-S194 PolarHBondContact O-N 3.42Å; S192-S194 VanDerWaalsContact O-N 3.08Å; S192-S194 PolarHBondContact OG-OG 3.37Å
195	S	93.6	Very high	92.9	Very high	39 Å²	39	54.5 Å²	54.5	27%	0.273	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-34	-178.1	60.2	0	0	0	0	112.7	S192	S192-S195 PolarHBondContact N-OG 3.34Å; S192-S195 PolarHBondContact O-N 3.46Å; S192-S195 VanDerWaalsContact O-N 3.17Å; S192-S195 PolarHBondContact O-OG 3Å; S192-S195 WeakPolarHBondContact OG-CB 3.49Å; S192-S195 PolarHBondContact OG-N 2.64Å; S192-S195 PolarHBondContact OG-OG 3.11Å
196	H	94.7	Very high	93.9	Very high	48 Å²	48	50.6 Å²	50.6	22%	0.222	28%	0.279	C	S	.	.			trans	-136.4	61.5	-175.8	-61.9	74.6	0	0	0	110.5	Y187 P191 S192 H198 L199 I200	Y187-H196 AromaticContact CE2-CE1 3.43Å; Y187-H196 VanDerWaalsContact CE2-CE1 3.43Å; Y187-H196 WeakPolarHBondContact CE2-CE1 3.43Å; Y187-H196 AromaticContact CE2-ND1 3.89Å; P191-H196 HydrophobicContact CB-CB 3.95Å; S192-H196 CarbonylContact O-C 3.51Å; S192-H196 PolarHBondContact O-N 2.81Å; H196-H198 AromaticContact CD2-CE1 3.9Å; H196-H198 PolarHBondContact O-N 3.01Å; H196-L199 HydrophobicContact CB-CB 4.21Å; H196-L199 HydrophobicContact CB-CD1 4.26Å; H196-L199 HydrophobicContact CB-CG 4.4Å; H196-L199 PolarHBondContact O-N 3.17Å; H196-I200 PolarHBondContact O-N 3.14Å
197	P	94.7	Very high	94.4	Very high	93 Å²	93	49 Å²	49	60%	0.604	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-18.6	-177.7	24.6	-35.1	0	0	0	113.9	P193 L199	P193-P197 WeakPolarHBondContact O-CA 3.33Å; P193-P197 WeakPolarHBondContact O-CB 3.37Å; P197-L199 VanDerWaalsContact C-N 3.35Å
198	H	94.2	Very high	94.9	Very high	146 Å²	146	47.2 Å²	47.2	68%	0.676	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-17.2	174.8	61.2	-78	0	0	0	113.3	H196	H196-H198 AromaticContact CD2-CE1 3.9Å; H196-H198 PolarHBondContact O-N 3.01Å
199	L	94.2	Very high	95.2	Very high	69 Å²	69	47.1 Å²	47.1	36%	0.361	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-39.4	177.4	-60.3	178.9	0	0	0	112.3	H196 P197	H196-L199 HydrophobicContact CB-CB 4.21Å; H196-L199 HydrophobicContact CB-CD1 4.26Å; H196-L199 HydrophobicContact CB-CG 4.4Å; H196-L199 PolarHBondContact O-N 3.17Å; P197-L199 VanDerWaalsContact C-N 3.35Å
200	I	96.8	Very high	95.4	Very high	5 Å²	5	46.9 Å²	46.9	3%	0.026	28%	0.276	C	S	.	.	S	Bend	trans	-115.4	119	-170.6	-46.8	-60.4	0	0	0	109.8	P191 P193 H196 C204 P207	P191-I200 HydrophobicContact CB-CD1 3.97Å; P191-I200 HydrophobicContact CB-CG1 3.68Å; P193-I200 HydrophobicContact CG-CG2 3.87Å; H196-I200 PolarHBondContact O-N 3.14Å; I200-C204 HydrophobicContact CG2-CB 3.87Å; I200-C204 WeakPolarHBondContact CG2-O 3.48Å; I200-P207 HydrophobicContact CD1-CG 3.77Å
201	G	95	Very high	95.5	Very high	33 Å²	33	49.8 Å²	49.8	34%	0.34	29%	0.288	S	S	.	.			trans	-65.6	158.2	176.6	0	0	0	0	0	112.9	P193 D203 C204	P193-G201 VanDerWaalsContact CG-O 3.28Å; P193-G201 WeakPolarHBondContact CG-O 3.45Å; G201-D203 PolarHBondContact O-N 3.4Å; G201-C204 WeakPolarHBondContact O-CB 3.4Å; G201-C204 PolarHBondContact O-N 3.4Å
202	K	92.4	Very high	95.6	Very high	182 Å²	182	52.6 Å²	52.6	79%	0.791	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47	-40.2	-170.7	-173.8	176.5	175.8	-175.8	0	115.4	P193	P193-K202 WeakPolarHBondContact CG-O 3.43Å
203	D	92.6	Very high	95.8	Very high	115 Å²	115	54 Å²	54	62%	0.615	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.9	13.5	-176.6	-57.7	-54.6	0	0	0	112.9	G201 S210 K211	G201-D203 PolarHBondContact O-N 3.4Å; D203-S210 WeakPolarHBondContact O-CA 3.24Å; D203-K211 PolarHBondContact O-N 3.27Å
204	C	97	Very high	96	Very high	22 Å²	22	52.9 Å²	52.9	15%	0.149	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	151	-176	-59.9	0	0	0	0	112.6	P193 I200 G201 T206 I209	P193-C204 WeakPolarHBondContact CG-O 3.48Å; I200-C204 HydrophobicContact CG2-CB 3.87Å; I200-C204 WeakPolarHBondContact CG2-O 3.48Å; G201-C204 WeakPolarHBondContact O-CB 3.4Å; G201-C204 PolarHBondContact O-N 3.4Å; C204-T206 VanDerWaalsContact CB-O 3.32Å; C204-T206 WeakPolarHBondContact CB-O 3.42Å; C204-I209 VanDerWaalsContact CA-O 3.24Å; C204-I209 WeakPolarHBondContact CA-O 3.41Å; C204-I209 WeakPolarHBondContact CB-O 3.37Å
205	V	97.3	Very high	96.3	Very high	1 Å²	1	52 Å²	52	1%	0.006	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	-37.4	174.1	-170.5	0	0	0	0	110.5	I209 K211 Y214 L311	V205-I209 PolarHBondContact N-O 3.37Å; V205-K211 HydrophobicContact CG2-CB 3.91Å; V205-K211 HydrophobicContact CG2-CG 4.25Å; V205-Y214 HydrophobicContact CB-CD2 3.84Å; V205-Y214 HydrophobicContact CB-CE2 3.67Å; V205-Y214 HydrophobicContact CG1-CE2 4.44Å; V205-Y214 HydrophobicContact CG2-CD2 3.7Å; V205-Y214 HydrophobicContact CG2-CE2 4.07Å; V205-L311 HydrophobicContact CG1-CB 4.31Å; V205-L311 WeakPolarHBondContact CG2-O 3.4Å
206	T	97.7	Very high	96.5	Very high	6 Å²	6	55.3 Å²	55.3	4%	0.037	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	170.9	174.3	58.7	0	0	0	0	108.2	C204 G208 I209 Y214 F261	C204-T206 VanDerWaalsContact CB-O 3.32Å; C204-T206 WeakPolarHBondContact CB-O 3.42Å; T206-G208 PolarHBondContact O-N 2.89Å; T206-G208 VanDerWaalsContact O-N 3.16Å; T206-I209 PolarHBondContact O-N 3.04Å; T206-Y214 HydrophobicContact CG2-CE2 4.42Å; T206-Y214 VanDerWaalsContact CG2-OH 3.26Å; T206-Y214 WeakPolarHBondContact CG2-OH 3.5Å; T206-Y214 PolarHBondContact OG1-OH 2.71Å; T206-F261 HydrophobicContact CG2-CE1 4.46Å; T206-F261 HydrophobicContact CG2-CE2 3.91Å; T206-F261 HydrophobicContact CG2-CZ 3.57Å
207	P	97.7	Very high	96.7	Very high	17 Å²	17	53.5 Å²	53.5	11%	0.11	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	126.7	178.5	-25.7	35.5	0	0	0	110.8	I200 I209 L390 F472	I200-P207 HydrophobicContact CD1-CG 3.77Å; P207-I209 PolarHBondContact O-N 2.82Å; P207-L390 HydrophobicContact CB-CD2 3.94Å; P207-L390 WeakPolarHBondContact O-CD1 3.41Å; P207-F472 HydrophobicContact CB-CE1 4.15Å; P207-F472 HydrophobicContact CB-CZ 4.38Å
208	G	97.5	Very high	96.9	Very high	50 Å²	50	49.7 Å²	49.7	52%	0.515	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.1	-24.9	178.1	0	0	0	0	0	117.9	T206	T206-G208 PolarHBondContact O-N 2.89Å; T206-G208 VanDerWaalsContact O-N 3.16Å
209	I	98.5	Very high	97	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	120	-172.7	-56.4	168.6	0	0	0	111.3	C204 V205 T206 P207 E213 Y214 A386 E387 L390 Y475	C204-I209 VanDerWaalsContact CA-O 3.24Å; C204-I209 WeakPolarHBondContact CA-O 3.41Å; C204-I209 WeakPolarHBondContact CB-O 3.37Å; V205-I209 PolarHBondContact N-O 3.37Å; T206-I209 PolarHBondContact O-N 3.04Å; P207-I209 PolarHBondContact O-N 2.82Å; I209-E213 HydrophobicContact CG2-CB 4.08Å; I209-E213 HydrophobicContact CG2-CG 4.15Å; I209-Y214 HydrophobicContact CB-CE2 3.83Å; I209-Y214 HydrophobicContact CG2-CD2 3.76Å; I209-Y214 HydrophobicContact CG2-CE1 4.37Å; I209-Y214 HydrophobicContact CG2-CE2 3.31Å; I209-Y214 HydrophobicContact CG2-CG 4.44Å; I209-A386 HydrophobicContact CG1-CB 3.92Å; I209-E387 HydrophobicContact CD1-CG 4.32Å; I209-L390 HydrophobicContact CD1-CD1 3.72Å; I209-L390 HydrophobicContact CG1-CD1 4.02Å; I209-Y475 HydrophobicContact CD1-CE2 3.92Å
210	S	98	Very high	97.1	Very high	35 Å²	35	44.3 Å²	44.3	25%	0.245	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	155.6	-177.1	77.2	0	0	0	0	113.3	D203 V212 E213 Y214	D203-S210 WeakPolarHBondContact O-CA 3.24Å; S210-V212 PolarHBondContact O-N 2.87Å; S210-V212 PolarHBondContact OG-N 3.46Å; S210-E213 PolarHBondContact O-N 3.01Å; S210-E213 WeakPolarHBondContact OG-CB 3.46Å; S210-E213 PolarHBondContact OG-N 3.38Å; S210-Y214 VanDerWaalsContact O-CD2 3.3Å; S210-Y214 WeakPolarHBondContact O-CD2 3.2Å; S210-Y214 PolarHBondContact O-N 3.18Å
211	K	97	Very high	97.1	Very high	67 Å²	67	44.1 Å²	44.1	29%	0.291	26%	0.257	S	S	.	.	H	α-helix	trans	-60.2	-32.8	170.6	-169.4	-178.2	-54.4	-177.5	0	112.7	D203 V205 A215 W310 L311	D203-K211 PolarHBondContact O-N 3.27Å; V205-K211 HydrophobicContact CG2-CB 3.91Å; V205-K211 HydrophobicContact CG2-CG 4.25Å; K211-A215 PolarHBondContact O-N 2.99Å; K211-A215 VanDerWaalsContact O-N 3.12Å; K211-W310 VanDerWaalsContact CE-O 3.26Å; K211-W310 WeakPolarHBondContact CE-O 3.5Å; K211-W310 PolarHBondContact NZ-O 2.99Å; K211-L311 WeakPolarHBondContact CE-O 3.36Å
212	V	98.1	Very high	97.2	Very high	95 Å²	95	43 Å²	43	58%	0.576	24%	0.243	S	C	*	.	H	α-helix	trans	-64.5	-45.4	176.6	176	0	0	0	0	110.2	S210 Y214 A215 E216	S210-V212 PolarHBondContact O-N 2.87Å; S210-V212 PolarHBondContact OG-N 3.46Å; V212-Y214 PolarHBondContact O-N 2.9Å; V212-A215 WeakPolarHBondContact O-CA 3.29Å; V212-A215 WeakPolarHBondContact O-CB 3.41Å; V212-A215 PolarHBondContact O-N 2.99Å; V212-E216 HydrophobicContact CG1-CG 4.47Å; V212-E216 WeakPolarHBondContact O-CG 3.47Å; V212-E216 PolarHBondContact O-N 3.12Å
213	E	98.4	Very high	97.3	Very high	29 Å²	29	41.4 Å²	41.4	14%	0.136	23%	0.232	C	C	.	.	H	α-helix	trans	-61.5	-43.4	178.3	-172.9	177.2	154.4	0	0	111.6	I209 S210 A215 E216 R217 S384	I209-E213 HydrophobicContact CG2-CB 4.08Å; I209-E213 HydrophobicContact CG2-CG 4.15Å; S210-E213 PolarHBondContact O-N 3.01Å; S210-E213 WeakPolarHBondContact OG-CB 3.46Å; S210-E213 PolarHBondContact OG-N 3.38Å; E213-A215 VanDerWaalsContact C-N 3.28Å; E213-A215 PolarHBondContact O-N 3.37Å; E213-E216 WeakPolarHBondContact O-CB 3.39Å; E213-E216 PolarHBondContact O-N 3.41Å; E213-E216 VanDerWaalsContact O-N 3.15Å; E213-R217 VanDerWaalsContact O-CG 3.28Å; E213-R217 WeakPolarHBondContact O-CG 3.42Å; E213-R217 PolarHBondContact O-N 2.9Å; E213-R217 IonicContact OE1-CZ 2.85Å; E213-R217 IonicContact OE1-NE 3.51Å; E213-R217 PolarHBondContact OE1-NE 2.72Å; E213-R217 IonicContact OE1-NH2 3.27Å; E213-R217 PolarHBondContact OE1-NH2 2.83Å; E213-S384 VanDerWaalsContact OE1-CB 3.32Å; E213-S384 WeakPolarHBondContact OE1-CB 3.44Å; E213-S384 PolarHBondContact OE1-OG 2.96Å
214	Y	98.6	Very high	97.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60.2	-37.1	173.2	-77.3	-67.9	0	0	0	112.9	V205 T206 I209 S210 V212 R217 R218 F261 Y262 G265	V205-Y214 HydrophobicContact CB-CD2 3.84Å; V205-Y214 HydrophobicContact CB-CE2 3.67Å; V205-Y214 HydrophobicContact CG1-CE2 4.44Å; V205-Y214 HydrophobicContact CG2-CD2 3.7Å; V205-Y214 HydrophobicContact CG2-CE2 4.07Å; T206-Y214 HydrophobicContact CG2-CE2 4.42Å; T206-Y214 VanDerWaalsContact CG2-OH 3.26Å; T206-Y214 WeakPolarHBondContact CG2-OH 3.5Å; T206-Y214 PolarHBondContact OG1-OH 2.71Å; I209-Y214 HydrophobicContact CB-CE2 3.83Å; I209-Y214 HydrophobicContact CG2-CD2 3.76Å; I209-Y214 HydrophobicContact CG2-CE1 4.37Å; I209-Y214 HydrophobicContact CG2-CE2 3.31Å; I209-Y214 HydrophobicContact CG2-CG 4.44Å; S210-Y214 VanDerWaalsContact O-CD2 3.3Å; S210-Y214 WeakPolarHBondContact O-CD2 3.2Å; S210-Y214 PolarHBondContact O-N 3.18Å; V212-Y214 PolarHBondContact O-N 2.9Å; Y214-R217 PolarHBondContact O-N 2.95Å; Y214-R218 WeakPolarHBondContact O-CG 3.24Å; Y214-R218 PolarHBondContact O-N 2.85Å; Y214-R218 VanDerWaalsContact O-N 3.16Å; Y214-R218 PolarHBondContact O-NH1 3.26Å; Y214-F261 WeakPolarHBondContact CE1-O 3.23Å; Y214-Y262 VanDerWaalsContact CD1-O 3.3Å; Y214-Y262 WeakPolarHBondContact CD1-O 3.25Å; Y214-Y262 VanDerWaalsContact CE1-O 3.31Å; Y214-Y262 WeakPolarHBondContact CE1-O 3.48Å; Y214-G265 VanDerWaalsContact CE1-N 3.3Å
215	A	98.3	Very high	97.2	Very high	40 Å²	40	40.4 Å²	40.4	33%	0.331	22%	0.216	S	C	.	.	H	α-helix	trans	-66.3	-40.6	174.3	0	0	0	0	0	112	K211 V212 E213 R218 A219	K211-A215 PolarHBondContact O-N 2.99Å; K211-A215 VanDerWaalsContact O-N 3.12Å; V212-A215 WeakPolarHBondContact O-CA 3.29Å; V212-A215 WeakPolarHBondContact O-CB 3.41Å; V212-A215 PolarHBondContact O-N 2.99Å; E213-A215 VanDerWaalsContact C-N 3.28Å; E213-A215 PolarHBondContact O-N 3.37Å; A215-R218 PolarHBondContact O-N 2.85Å; A215-A219 WeakPolarHBondContact O-CB 3.46Å; A215-A219 PolarHBondContact O-N 2.79Å
216	E	98.2	Very high	96.9	Very high	109 Å²	109	41.1 Å²	41.1	51%	0.509	22%	0.219	S	C	.	.	H	α-helix	trans	-64	-41.5	175.1	-70.4	174	173.2	0	0	112.1	V212 E213 R218 A219 N220	V212-E216 HydrophobicContact CG1-CG 4.47Å; V212-E216 WeakPolarHBondContact O-CG 3.47Å; V212-E216 PolarHBondContact O-N 3.12Å; E213-E216 WeakPolarHBondContact O-CB 3.39Å; E213-E216 PolarHBondContact O-N 3.41Å; E213-E216 VanDerWaalsContact O-N 3.15Å; E216-R218 PolarHBondContact O-N 2.86Å; E216-A219 PolarHBondContact O-N 3Å; E216-N220 WeakPolarHBondContact O-CB 3.24Å; E216-N220 VanDerWaalsContact O-CG 3.26Å; E216-N220 PolarHBondContact O-N 3.3Å; E216-N220 PolarHBondContact O-ND2 3.47Å
217	R	98.3	Very high	96.5	Very high	9 Å²	9	46 Å²	46	3%	0.034	25%	0.248	C	C	.	.	H	α-helix	trans	-57.5	-47.7	174.2	-68.7	173	-169.9	-147.4	-6.1	111.2	E213 Y214 N220 F221 Y262 L263 E387	E213-R217 VanDerWaalsContact O-CG 3.28Å; E213-R217 WeakPolarHBondContact O-CG 3.42Å; E213-R217 PolarHBondContact O-N 2.9Å; E213-R217 IonicContact OE1-CZ 2.85Å; E213-R217 IonicContact OE1-NE 3.51Å; E213-R217 PolarHBondContact OE1-NE 2.72Å; E213-R217 IonicContact OE1-NH2 3.27Å; E213-R217 PolarHBondContact OE1-NH2 2.83Å; Y214-R217 PolarHBondContact O-N 2.95Å; R217-N220 PolarHBondContact O-N 3.4Å; R217-F221 WeakPolarHBondContact O-CB 3.45Å; R217-F221 PolarHBondContact O-N 2.89Å; R217-Y262 HydrophobicContact CB-CE1 4.05Å; R217-Y262 WeakPolarHBondContact CD-O 3.41Å; R217-Y262 HydrophobicContact CG-CE1 4Å; R217-Y262 VanDerWaalsContact NH1-CE2 3.3Å; R217-Y262 PolarHBondContact NH1-O 3.44Å; R217-L263 HydrophobicContact CB-CD2 4.14Å; R217-E387 IonicContact CZ-OE1 3.46Å; R217-E387 VanDerWaalsContact CZ-OE1 3.24Å; R217-E387 IonicContact NH1-OE1 2.99Å; R217-E387 PolarHBondContact NH1-OE1 3.4Å; R217-E387 VanDerWaalsContact NH1-OE1 3.14Å; R217-E387 IonicContact NH2-OE1 3.03Å; R217-E387 PolarHBondContact NH2-OE1 3.08Å; R217-E387 IonicContact NH2-OE2 2.73Å
218	R	98.2	Very high	95.9	Very high	13 Å²	13	50.7 Å²	50.7	5%	0.049	27%	0.269	C	S	.	.	H	α-helix	trans	-61.3	-44.5	175.1	-68.3	-172	-58.4	-93.6	10.4	112.1	Y214 A215 E216 F221 W222 L263 L275 T312 G313	Y214-R218 WeakPolarHBondContact O-CG 3.24Å; Y214-R218 PolarHBondContact O-N 2.85Å; Y214-R218 VanDerWaalsContact O-N 3.16Å; Y214-R218 PolarHBondContact O-NH1 3.26Å; A215-R218 PolarHBondContact O-N 2.85Å; E216-R218 PolarHBondContact O-N 2.86Å; R218-F221 PolarHBondContact O-N 2.79Å; R218-W222 WeakPolarHBondContact O-CB 3.25Å; R218-W222 PolarHBondContact O-N 2.78Å; R218-L263 HydrophobicContact CG-CB 4.21Å; R218-L263 HydrophobicContact CG-CD2 4.28Å; R218-L263 WeakPolarHBondContact CG-O 3.45Å; R218-L263 PolarHBondContact NH1-O 2.9Å; R218-L275 HydrophobicContact CB-CD1 4.36Å; R218-L275 HydrophobicContact CB-CD2 4.23Å; R218-L275 HydrophobicContact CG-CD2 4.27Å; R218-T312 PolarHBondContact NH1-O 2.89Å; R218-T312 VanDerWaalsContact NH1-O 3.11Å; R218-T312 PolarHBondContact NH2-O 2.97Å; R218-G313 PolarHBondContact NH2-O 2.85Å
219	A	97	Very high	95.1	Very high	39 Å²	39	49.4 Å²	49.4	32%	0.322	25%	0.252	S	S	.	.	H	α-helix	trans	-65	-39.8	179.3	0	0	0	0	0	112.5	A215 E216 R223	A215-A219 WeakPolarHBondContact O-CB 3.46Å; A215-A219 PolarHBondContact O-N 2.79Å; E216-A219 PolarHBondContact O-N 3Å; A219-R223 WeakPolarHBondContact O-CB 3.28Å; A219-R223 PolarHBondContact O-N 3.3Å
220	N	96.9	Very high	94	Very high	64 Å²	64	53.7 Å²	53.7	34%	0.342	29%	0.287	S	S	.	.	H	α-helix	trans	-68.4	-41.9	176.4	-74	-29.5	0	0	0	111.4	E216 R217 R223 R224 L379	E216-N220 WeakPolarHBondContact O-CB 3.24Å; E216-N220 VanDerWaalsContact O-CG 3.26Å; E216-N220 PolarHBondContact O-N 3.3Å; E216-N220 PolarHBondContact O-ND2 3.47Å; R217-N220 PolarHBondContact O-N 3.4Å; N220-R223 PolarHBondContact O-N 3.07Å; N220-R223 PolarHBondContact OD1-NH1 3.29Å; N220-R223 VanDerWaalsContact OD1-NH1 3.15Å; N220-R224 WeakPolarHBondContact O-CB 3.37Å; N220-R224 WeakPolarHBondContact O-CG 3.23Å; N220-R224 PolarHBondContact O-N 2.93Å; N220-L379 HydrophobicContact CB-CD1 4.43Å; N220-L379 HydrophobicContact CB-CD2 4.31Å
221	F	97.3	Very high	93.3	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-63.9	-45.7	176.3	-176.5	-135	0	0	0	112.3	R217 R218 R223 R224 C225 I236 I238 L263 L275 V344 V375 L376 L379	R217-F221 WeakPolarHBondContact O-CB 3.45Å; R217-F221 PolarHBondContact O-N 2.89Å; R218-F221 PolarHBondContact O-N 2.79Å; F221-R223 PolarHBondContact O-N 2.85Å; F221-R224 PolarHBondContact O-N 3.09Å; F221-C225 WeakPolarHBondContact CE2-SG 3.43Å; F221-C225 PolarHBondContact O-N 3.18Å; F221-C225 PolarHBondContact O-SG 2.85Å; F221-C225 VanDerWaalsContact O-SG 3.33Å; F221-I236 HydrophobicContact CD1-CD1 4.42Å; F221-I236 HydrophobicContact CE1-CD1 4.29Å; F221-I236 HydrophobicContact CE1-CG2 3.64Å; F221-I236 HydrophobicContact CZ-CG2 4.02Å; F221-I238 HydrophobicContact CE1-CD1 4.31Å; F221-I238 HydrophobicContact CE1-CG1 4.13Å; F221-L263 HydrophobicContact CB-CD2 4.19Å; F221-L263 HydrophobicContact CD1-CD1 3.71Å; F221-L263 HydrophobicContact CD1-CD2 4.33Å; F221-L263 HydrophobicContact CE1-CD1 4.03Å; F221-L275 HydrophobicContact CD1-CD1 3.98Å; F221-V344 HydrophobicContact CE1-CG1 3.82Å; F221-V344 HydrophobicContact CZ-CG1 3.6Å; F221-V375 HydrophobicContact CD2-CG1 4.02Å; F221-V375 HydrophobicContact CE2-CB 4.1Å; F221-V375 HydrophobicContact CE2-CG1 4.03Å; F221-L376 HydrophobicContact CD1-CD1 4.41Å; F221-L376 HydrophobicContact CD2-CB 4.11Å; F221-L376 HydrophobicContact CD2-CD1 4.03Å; F221-L376 HydrophobicContact CE1-CD2 4.38Å; F221-L376 HydrophobicContact CE2-CB 3.68Å; F221-L376 HydrophobicContact CE2-CD1 4.36Å; F221-L376 HydrophobicContact CE2-CG 4.46Å; F221-L376 HydrophobicContact CG-CD1 4.09Å; F221-L376 HydrophobicContact CZ-CB 4.08Å; F221-L376 HydrophobicContact CZ-CD2 4.33Å; F221-L379 HydrophobicContact CB-CD1 3.68Å; F221-L379 HydrophobicContact CD2-CD1 4.11Å; F221-L379 HydrophobicContact CG-CD1 4.33Å
222	W	96	Very high	92.7	Very high	10 Å²	10	58.1 Å²	58.1	4%	0.038	31%	0.305	C	S	.	.	H	α-helix	trans	-51.6	-56.5	170.9	172.5	-95.5	0	0	0	111.7	R218 R224 C225 W226 Q234 I236 L275 Y276 G277 S278 P282	R218-W222 WeakPolarHBondContact O-CB 3.25Å; R218-W222 PolarHBondContact O-N 2.78Å; W222-R224 VanDerWaalsContact C-N 3.31Å; W222-R224 PolarHBondContact O-N 3.19Å; W222-C225 PolarHBondContact O-N 3.09Å; W222-W226 HydrophobicContact CH2-CE3 4.4Å; W222-W226 HydrophobicContact CH2-CZ3 4.2Å; W222-W226 AromaticContact CZ2-CE3 3.76Å; W222-W226 HydrophobicContact CZ2-CE3 3.76Å; W222-W226 AromaticContact CZ2-CZ3 3.68Å; W222-W226 HydrophobicContact CZ2-CZ3 3.68Å; W222-W226 WeakPolarHBondContact O-CB 3.3Å; W222-W226 PolarHBondContact O-N 2.73Å; W222-Q234 HydrophobicContact CE3-CG 4.31Å; W222-Q234 HydrophobicContact CH2-CB 3.53Å; W222-Q234 HydrophobicContact CH2-CG 4.05Å; W222-Q234 WeakPolarHBondContact CH2-O 3.37Å; W222-Q234 HydrophobicContact CZ2-CB 4.16Å; W222-Q234 HydrophobicContact CZ3-CB 3.79Å; W222-Q234 HydrophobicContact CZ3-CG 3.77Å; W222-Q234 WeakPolarHBondContact CZ3-O 3.41Å; W222-Q234 PolarHBondContact O-OE1 2.8Å; W222-I236 HydrophobicContact CE3-CD1 4.17Å; W222-I236 HydrophobicContact CE3-CG1 4.49Å; W222-L275 HydrophobicContact CE3-CB 3.93Å; W222-L275 HydrophobicContact CZ3-CB 4.35Å; W222-Y276 VanDerWaalsContact CH2-C 3.47Å; W222-G277 WeakPolarHBondContact CH2-O 3.23Å; W222-S278 WeakPolarHBondContact CZ2-O 3.45Å; W222-P282 HydrophobicContact CD2-CB 3.78Å; W222-P282 HydrophobicContact CE3-CB 4.47Å; W222-P282 HydrophobicContact CG-CB 3.87Å; W222-P282 HydrophobicContact CZ2-CB 4.19Å
223	R	94.6	Very high	92.5	Very high	148 Å²	148	55.2 Å²	55.2	56%	0.558	29%	0.286	S	S	*	.	H	α-helix	trans	-59.2	-42	-177	-167.7	-175	-59	125.8	3.2	111.8	A219 N220 F221 W226 T227	A219-R223 WeakPolarHBondContact O-CB 3.28Å; A219-R223 PolarHBondContact O-N 3.3Å; N220-R223 PolarHBondContact O-N 3.07Å; N220-R223 PolarHBondContact OD1-NH1 3.29Å; N220-R223 VanDerWaalsContact OD1-NH1 3.15Å; F221-R223 PolarHBondContact O-N 2.85Å; R223-W226 WeakPolarHBondContact O-CB 3.36Å; R223-W226 PolarHBondContact O-N 2.67Å; R223-T227 PolarHBondContact O-N 3.46Å; R223-T227 PolarHBondContact O-OG1 3.47Å
224	R	94.4	Very high	92.3	Very high	117 Å²	117	53.8 Å²	53.8	44%	0.442	28%	0.28	S	S	.	.	H	α-helix	trans	-66.4	-43.3	180	-70.3	-78.4	-176.4	157.6	-2.1	112.1	N220 F221 W222 W226 T227 H228 V375 L379	N220-R224 WeakPolarHBondContact O-CB 3.37Å; N220-R224 WeakPolarHBondContact O-CG 3.23Å; N220-R224 PolarHBondContact O-N 2.93Å; F221-R224 PolarHBondContact O-N 3.09Å; W222-R224 VanDerWaalsContact C-N 3.31Å; W222-R224 PolarHBondContact O-N 3.19Å; R224-W226 VanDerWaalsContact C-N 3.3Å; R224-W226 PolarHBondContact O-N 2.7Å; R224-T227 PolarHBondContact O-N 2.97Å; R224-H228 PolarHBondContact O-N 2.94Å; R224-H228 PolarHBondContact O-ND1 3.39Å; R224-V375 HydrophobicContact CB-CG1 3.37Å; R224-V375 HydrophobicContact CG-CG1 4.39Å; R224-L379 HydrophobicContact CG-CD2 4.46Å
225	C	94.1	Very high	92.2	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-63.9	-38.7	175	-65.6	0	0	0	0	111.4	F221 W222 H228 S229 Q234 I236 W342	F221-C225 WeakPolarHBondContact CE2-SG 3.43Å; F221-C225 PolarHBondContact O-N 3.18Å; F221-C225 PolarHBondContact O-SG 2.85Å; F221-C225 VanDerWaalsContact O-SG 3.33Å; W222-C225 PolarHBondContact O-N 3.09Å; C225-H228 PolarHBondContact O-N 3.45Å; C225-S229 PolarHBondContact O-N 2.78Å; C225-S229 PolarHBondContact O-OG 3.06Å; C225-S229 VanDerWaalsContact O-OG 3.06Å; C225-Q234 VanDerWaalsContact C-NE2 3.31Å; C225-Q234 PolarHBondContact O-NE2 3.38Å; C225-I236 HydrophobicContact CB-CD1 3.82Å; C225-W342 HydrophobicContact CB-CD2 4.09Å; C225-W342 HydrophobicContact CB-CG 4.38Å; C225-W342 HydrophobicContact CB-CZ2 4.35Å; C225-W342 WeakPolarHBondContact O-CZ2 3.3Å
226	W	90.9	Very high	92.2	Very high	16 Å²	16	51.9 Å²	51.9	6%	0.061	26%	0.264	C	S	.	.	H	α-helix	trans	-59.4	-48.5	176.1	-168.2	-88.9	0	0	0	113.1	W222 R223 R224 H228 S229 A230 V231 K232 Q234 E279	W222-W226 HydrophobicContact CH2-CE3 4.4Å; W222-W226 HydrophobicContact CH2-CZ3 4.2Å; W222-W226 AromaticContact CZ2-CE3 3.76Å; W222-W226 HydrophobicContact CZ2-CE3 3.76Å; W222-W226 AromaticContact CZ2-CZ3 3.68Å; W222-W226 HydrophobicContact CZ2-CZ3 3.68Å; W222-W226 WeakPolarHBondContact O-CB 3.3Å; W222-W226 PolarHBondContact O-N 2.73Å; R223-W226 WeakPolarHBondContact O-CB 3.36Å; R223-W226 PolarHBondContact O-N 2.67Å; R224-W226 VanDerWaalsContact C-N 3.3Å; R224-W226 PolarHBondContact O-N 2.7Å; W226-H228 PolarHBondContact O-N 3.47Å; W226-H228 VanDerWaalsContact O-N 3.17Å; W226-S229 PolarHBondContact O-N 2.8Å; W226-A230 PolarHBondContact O-N 3.12Å; W226-V231 WeakPolarHBondContact CH2-O 3.4Å; W226-V231 WeakPolarHBondContact CZ2-O 3.31Å; W226-K232 VanDerWaalsContact CH2-O 3.23Å; W226-K232 WeakPolarHBondContact CH2-O 3.32Å; W226-Q234 HydrophobicContact CE3-CB 3.59Å; W226-Q234 HydrophobicContact CE3-CG 4.48Å; W226-Q234 HydrophobicContact CZ3-CB 3.56Å; W226-E279 HydrophobicContact CD2-CB 4.33Å; W226-E279 HydrophobicContact CD2-CG 4.37Å; W226-E279 HydrophobicContact CH2-CB 3.94Å; W226-E279 HydrophobicContact CZ2-CB 3.36Å; W226-E279 HydrophobicContact CZ2-CG 4.07Å
227	T	89.3	Confident	92.2	Very high	107 Å²	107	46.7 Å²	46.7	66%	0.656	24%	0.24	S	C	*	.	H	α-helix	trans	-57.8	-30.1	179	-55.4	0	0	0	0	112.8	R223 R224	R223-T227 PolarHBondContact O-N 3.46Å; R223-T227 PolarHBondContact O-OG1 3.47Å; R224-T227 PolarHBondContact O-N 2.97Å
228	H	85.2	Confident	92.2	Very high	117 Å²	117	46.3 Å²	46.3	54%	0.542	24%	0.238	S	C	.	.	H	α-helix	trans	-78.1	-20.9	175.6	-71	83.7	0	0	0	113.7	R224 C225 W226 W342	R224-H228 PolarHBondContact O-N 2.94Å; R224-H228 PolarHBondContact O-ND1 3.39Å; C225-H228 PolarHBondContact O-N 3.45Å; W226-H228 PolarHBondContact O-N 3.47Å; W226-H228 VanDerWaalsContact O-N 3.17Å; H228-W342 HydrophobicContact CB-CH2 3.81Å; H228-W342 HydrophobicContact CB-CZ2 3.96Å
229	S	80.2	Confident	92.2	Very high	22 Å²	22	45.7 Å²	45.7	15%	0.154	24%	0.236	C	C	.	.	H	α-helix	trans	-100.7	-36.6	-174	-52	0	0	0	0	113.9	C225 W226 V231 S340 W342	C225-S229 PolarHBondContact O-N 2.78Å; C225-S229 PolarHBondContact O-OG 3.06Å; C225-S229 VanDerWaalsContact O-OG 3.06Å; W226-S229 PolarHBondContact O-N 2.8Å; S229-V231 PolarHBondContact O-N 3.22Å; S229-S340 VanDerWaalsContact OG-CB 3.28Å; S229-S340 WeakPolarHBondContact OG-CB 3.45Å; S229-S340 PolarHBondContact OG-OG 3.46Å; S229-W342 WeakPolarHBondContact OG-CZ2 3.37Å; S229-W342 PolarHBondContact OG-NE1 2.87Å
230	A	75.5	Confident	92.2	Very high	90 Å²	90	43.9 Å²	43.9	74%	0.744	22%	0.221	S	C	*	.			trans	51.7	32	-175.6	0	0	0	0	0	115.3	W226	W226-A230 PolarHBondContact O-N 3.12Å
231	V	83.1	Confident	92.2	Very high	37 Å²	37	41.6 Å²	41.6	22%	0.224	21%	0.211	C	C	.	.			trans	-100.3	179.1	-179.1	-67.6	0	0	0	0	112.1	W226 S229 N233 S340	W226-V231 WeakPolarHBondContact CH2-O 3.4Å; W226-V231 WeakPolarHBondContact CZ2-O 3.31Å; S229-V231 PolarHBondContact O-N 3.22Å; V231-N233 WeakPolarHBondContact CG2-O 3.43Å; V231-S340 VanDerWaalsContact CG2-OG 3.29Å; V231-S340 WeakPolarHBondContact CG2-OG 3.27Å
232	K	85.2	Confident	92.1	Very high	158 Å²	158	44.8 Å²	44.8	69%	0.687	23%	0.231	S	C	*	.	S	Bend	trans	-88.7	-20.6	-179	-69.1	-173.9	178.3	-178.5	0	114.9	W226 S338	W226-K232 VanDerWaalsContact CH2-O 3.23Å; W226-K232 WeakPolarHBondContact CH2-O 3.32Å; K232-S338 PolarHBondContact N-O 3.35Å; K232-S338 VanDerWaalsContact N-O 3.11Å
233	N	92.2	Very high	92	Very high	34 Å²	34	47.7 Å²	47.7	18%	0.182	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	153.8	-177	-68.8	-50.8	0	0	0	110.1	V231 G277 S338 T339 S340	V231-N233 WeakPolarHBondContact CG2-O 3.43Å; N233-G277 WeakPolarHBondContact CA-O 3.48Å; N233-S338 PolarHBondContact N-O 2.97Å; N233-T339 HydrophobicContact CB-CG2 3.95Å; N233-T339 CarbonylContact O-C 3.56Å; N233-T339 VanDerWaalsContact O-CA 3.31Å; N233-T339 WeakPolarHBondContact O-CA 3.33Å; N233-S340 PolarHBondContact O-N 2.87Å; N233-S340 PolarHBondContact O-OG 3.03Å
234	Q	94.4	Very high	92	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	145.6	177.8	174.4	171.3	101.6	0	0	111.4	W222 C225 W226 I236 Y276 G277 Y330 S340	W222-Q234 HydrophobicContact CE3-CG 4.31Å; W222-Q234 HydrophobicContact CH2-CB 3.53Å; W222-Q234 HydrophobicContact CH2-CG 4.05Å; W222-Q234 WeakPolarHBondContact CH2-O 3.37Å; W222-Q234 HydrophobicContact CZ2-CB 4.16Å; W222-Q234 HydrophobicContact CZ3-CB 3.79Å; W222-Q234 HydrophobicContact CZ3-CG 3.77Å; W222-Q234 WeakPolarHBondContact CZ3-O 3.41Å; W222-Q234 PolarHBondContact O-OE1 2.8Å; C225-Q234 VanDerWaalsContact C-NE2 3.31Å; C225-Q234 PolarHBondContact O-NE2 3.38Å; W226-Q234 HydrophobicContact CE3-CB 3.59Å; W226-Q234 HydrophobicContact CE3-CG 4.48Å; W226-Q234 HydrophobicContact CZ3-CB 3.56Å; Q234-I236 HydrophobicContact CG-CD1 4.44Å; Q234-I236 HydrophobicContact CG-CG1 3.89Å; Q234-Y276 CarbonylContact O-C 3.55Å; Q234-Y276 WeakPolarHBondContact O-CA 3.36Å; Q234-G277 PolarHBondContact N-O 3.28Å; Q234-G277 PolarHBondContact O-N 3.33Å; Q234-Y330 PolarHBondContact N-OH 2.86Å; Q234-Y330 PolarHBondContact O-OH 2.9Å; Q234-S340 CarbonylContact C-O 3.53Å; Q234-S340 VanDerWaalsContact CA-O 3.28Å; Q234-S340 WeakPolarHBondContact CA-O 3.5Å; Q234-S340 WeakPolarHBondContact CB-OG 3.49Å; Q234-S340 WeakPolarHBondContact CG-OG 3.33Å; Q234-S340 PolarHBondContact NE2-OG 2.91Å; Q234-S340 VanDerWaalsContact NE2-OG 3.13Å
235	I	97	Very high	92	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	133.9	167.5	-173.3	166.3	0	0	0	109.4	L237 I274 L275 Y330 S340 A341 W342 L362	I235-L237 HydrophobicContact CD1-CD2 4.3Å; I235-L237 HydrophobicContact CG1-CD2 4.23Å; I235-I274 HydrophobicContact CD1-CG2 3.86Å; I235-I274 HydrophobicContact CG1-CG2 3.64Å; I235-L275 CarbonylContact C-O 3.49Å; I235-L275 VanDerWaalsContact CA-O 3.31Å; I235-L275 WeakPolarHBondContact CA-O 3.41Å; I235-Y330 HydrophobicContact CB-CD1 4.3Å; I235-Y330 HydrophobicContact CB-CE1 3.75Å; I235-Y330 HydrophobicContact CD1-CD1 3.92Å; I235-Y330 HydrophobicContact CD1-CE1 4.25Å; I235-Y330 HydrophobicContact CG2-CE1 4.14Å; I235-S340 PolarHBondContact N-O 3.37Å; I235-A341 HydrophobicContact CG2-CB 3.96Å; I235-A341 CarbonylContact O-C 3.54Å; I235-A341 WeakPolarHBondContact O-CA 3.5Å; I235-W342 PolarHBondContact O-N 3.06Å; I235-L362 HydrophobicContact CD1-CD1 4.43Å; I235-L362 HydrophobicContact CD1-CD2 4.34Å; I235-L362 HydrophobicContact CG2-CD1 3.92Å; I235-L362 HydrophobicContact CG2-CD2 3.83Å
236	I	97.8	Very high	92	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	125.8	179.3	-44.7	-178.8	0	0	0	108.4	F221 W222 C225 Q234 I238 I274 L275 W342	F221-I236 HydrophobicContact CD1-CD1 4.42Å; F221-I236 HydrophobicContact CE1-CD1 4.29Å; F221-I236 HydrophobicContact CE1-CG2 3.64Å; F221-I236 HydrophobicContact CZ-CG2 4.02Å; W222-I236 HydrophobicContact CE3-CD1 4.17Å; W222-I236 HydrophobicContact CE3-CG1 4.49Å; C225-I236 HydrophobicContact CB-CD1 3.82Å; Q234-I236 HydrophobicContact CG-CD1 4.44Å; Q234-I236 HydrophobicContact CG-CG1 3.89Å; I236-I238 HydrophobicContact CB-CD1 4.08Å; I236-I238 HydrophobicContact CG2-CD1 3.67Å; I236-I238 HydrophobicContact CG2-CG1 4.19Å; I236-I238 WeakPolarHBondContact O-CD1 3.35Å; I236-I274 WeakPolarHBondContact O-CA 3.37Å; I236-L275 HydrophobicContact CB-CB 4.15Å; I236-L275 HydrophobicContact CD1-CB 4.34Å; I236-L275 HydrophobicContact CD1-CD1 4.29Å; I236-L275 HydrophobicContact CG1-CB 4.34Å; I236-L275 PolarHBondContact N-O 2.62Å; I236-L275 PolarHBondContact O-N 2.8Å; I236-W342 CarbonylContact C-O 3.56Å; I236-W342 WeakPolarHBondContact CA-O 3.4Å; I236-W342 HydrophobicContact CB-CB 4.17Å; I236-W342 HydrophobicContact CG1-CB 4.03Å; I236-W342 HydrophobicContact CG1-CG 4.41Å; I236-W342 HydrophobicContact CG2-CB 3.83Å
237	L	98.4	Very high	92.2	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	118.6	179.9	-55.3	-178.8	0	0	0	110.9	I235 L272 I274 W342 S343 V344 Y355 V359 L362	I235-L237 HydrophobicContact CD1-CD2 4.3Å; I235-L237 HydrophobicContact CG1-CD2 4.23Å; L237-L272 HydrophobicContact CB-CD1 4.45Å; L237-I274 HydrophobicContact CD2-CD1 3.7Å; L237-I274 HydrophobicContact CD2-CG1 3.78Å; L237-I274 HydrophobicContact CD2-CG2 4.27Å; L237-W342 PolarHBondContact N-O 2.73Å; L237-S343 WeakPolarHBondContact O-CA 3.25Å; L237-S343 PolarHBondContact O-OG 3.27Å; L237-V344 PolarHBondContact O-N 2.97Å; L237-Y355 HydrophobicContact CB-CD2 4.05Å; L237-Y355 HydrophobicContact CB-CE2 3.9Å; L237-Y355 HydrophobicContact CD1-CD2 4.45Å; L237-Y355 HydrophobicContact CD1-CE2 4.35Å; L237-V359 HydrophobicContact CD1-CG2 3.79Å; L237-L362 HydrophobicContact CD1-CD1 3.77Å; L237-L362 HydrophobicContact CG-CD1 4.23Å
238	I	98.2	Very high	92.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	94.2	-179.4	-53.1	94.7	0	0	0	109.1	F221 I236 F260 L263 L273 L275 V344	F221-I238 HydrophobicContact CE1-CD1 4.31Å; F221-I238 HydrophobicContact CE1-CG1 4.13Å; I236-I238 HydrophobicContact CB-CD1 4.08Å; I236-I238 HydrophobicContact CG2-CD1 3.67Å; I236-I238 HydrophobicContact CG2-CG1 4.19Å; I236-I238 WeakPolarHBondContact O-CD1 3.35Å; I238-F260 HydrophobicContact CG2-CB 4.08Å; I238-F260 HydrophobicContact CG2-CD2 4.17Å; I238-F260 WeakPolarHBondContact O-CD2 3.26Å; I238-L263 HydrophobicContact CD1-CD1 4.4Å; I238-L263 HydrophobicContact CG1-CD1 3.9Å; I238-L263 HydrophobicContact CG2-CD1 4.03Å; I238-L273 HydrophobicContact CB-CB 4.11Å; I238-L273 HydrophobicContact CB-CD2 4.25Å; I238-L273 HydrophobicContact CB-CG 4.46Å; I238-L273 HydrophobicContact CD1-CD2 4Å; I238-L273 HydrophobicContact CD1-CG 4.13Å; I238-L273 HydrophobicContact CG1-CD2 4.4Å; I238-L273 PolarHBondContact N-O 2.82Å; I238-L273 PolarHBondContact O-N 2.96Å; I238-L275 HydrophobicContact CD1-CD1 4.28Å; I238-L275 HydrophobicContact CD1-CG 3.97Å; I238-V344 HydrophobicContact CB-CG2 4.3Å; I238-V344 HydrophobicContact CG1-CG1 3.88Å; I238-V344 HydrophobicContact CG1-CG2 4.39Å; I238-V344 HydrophobicContact CG2-CG2 3.96Å
239	P	98	Very high	92.6	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	138.4	-179	30.5	-32.9	0	0	0	112.7	L272 R345 Y355	P239-L272 HydrophobicContact CB-CD1 4.3Å; P239-R345 VanDerWaalsContact CG-CD 3.42Å; P239-R345 HydrophobicContact CG-CG 3.72Å; P239-Y355 HydrophobicContact CB-CD1 4.36Å; P239-Y355 HydrophobicContact CB-CD2 3.78Å; P239-Y355 HydrophobicContact CB-CE2 4.47Å; P239-Y355 HydrophobicContact CB-CG 3.71Å; P239-Y355 HydrophobicContact CG-CD1 4.3Å; P239-Y355 HydrophobicContact CG-CD2 3.67Å; P239-Y355 HydrophobicContact CG-CE1 4.45Å; P239-Y355 HydrophobicContact CG-CE2 3.87Å; P239-Y355 HydrophobicContact CG-CG 3.9Å
240	A	97.9	Very high	93.2	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.008	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-71.5	163.2	166.4	0	0	0	0	0	111.8	F260 S271	A240-F260 HydrophobicContact CB-CD1 3.68Å; A240-F260 HydrophobicContact CB-CD2 3.94Å; A240-F260 HydrophobicContact CB-CE1 3.7Å; A240-F260 HydrophobicContact CB-CE2 3.96Å; A240-F260 HydrophobicContact CB-CG 3.79Å; A240-F260 HydrophobicContact CB-CZ 3.84Å; A240-S271 WeakPolarHBondContact CB-O 3.3Å; A240-S271 PolarHBondContact N-O 2.92Å
241	A	96.3	Very high	94.1	Very high	16 Å²	16	51.6 Å²	51.6	13%	0.132	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-66.9	151.3	168.4	0	0	0	0	0	111.3	F254 R255 D257 A270	A241-F254 HydrophobicContact CB-CE2 4.03Å; A241-F254 HydrophobicContact CB-CZ 4.18Å; A241-R255 WeakPolarHBondContact CB-O 3.41Å; A241-D257 HydrophobicContact CB-CB 4.1Å; A241-A270 PolarHBondContact O-N 3.43Å
242	T	95.6	Very high	94.6	Very high	68 Å²	68	56.8 Å²	56.8	42%	0.417	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-98.7	155.5	170.8	53.2	0	0	0	0	110.2	S244 A270 N352	T242-S244 PolarHBondContact O-N 3.46Å; T242-A270 HydrophobicContact CG2-CB 4.11Å; T242-N352 HydrophobicContact CG2-CB 3.97Å
243	V	94.4	Very high	95	Very high	70 Å²	70	54.8 Å²	54.8	42%	0.424	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-62.4	131.6	172.5	175.6	0	0	0	0	109.6	L245 P251 F254 P269	V243-L245 HydrophobicContact CG1-CD2 4.24Å; V243-P251 HydrophobicContact CG1-CB 3.6Å; V243-F254 HydrophobicContact CG2-CD2 4.14Å; V243-P269 HydrophobicContact CG2-CB 3.86Å; V243-P269 HydrophobicContact CG2-CG 4.05Å
244	S	94.2	Very high	95.1	Very high	73 Å²	73	55.9 Å²	55.9	51%	0.51	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-102.5	140.6	172.3	-60.9	0	0	0	0	109.2	T242 P251 Y252	T242-S244 PolarHBondContact O-N 3.46Å; S244-P251 WeakPolarHBondContact O-CA 3.23Å; S244-Y252 PolarHBondContact O-N 3.13Å
245	L	94.6	Very high	95.1	Very high	101 Å²	101	60.1 Å²	60.1	53%	0.529	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	134.4	-177.3	-59.4	-178.4	0	0	0	110.8	V243 V250 P251 Y252	V243-L245 HydrophobicContact CG1-CD2 4.24Å; L245-V250 CarbonylContact C-O 3.53Å; L245-V250 WeakPolarHBondContact CA-O 3.49Å; L245-P251 HydrophobicContact CD2-CB 4.25Å; L245-Y252 VanDerWaalsContact O-CE2 3.3Å; L245-Y252 WeakPolarHBondContact O-CE2 3.23Å
246	A	93.8	Very high	95.1	Very high	50 Å²	50	60.8 Å²	60.8	41%	0.413	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	-31.6	173	0	0	0	0	0	112.1	V250 Y252	A246-V250 PolarHBondContact N-O 2.97Å; A246-Y252 HydrophobicContact CB-CD1 3.79Å; A246-Y252 HydrophobicContact CB-CD2 3.95Å; A246-Y252 HydrophobicContact CB-CE1 3.58Å; A246-Y252 HydrophobicContact CB-CE2 3.76Å; A246-Y252 HydrophobicContact CB-CG 3.96Å
247	A	94.4	Very high	95.1	Very high	47 Å²	47	61.9 Å²	61.9	39%	0.388	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	170.8	172.7	0	0	0	0	0	108.2	D249 V250	A247-D249 PolarHBondContact O-N 2.93Å; A247-D249 VanDerWaalsContact O-N 3.12Å; A247-V250 HydrophobicContact CB-CB 4.11Å; A247-V250 HydrophobicContact CB-CG2 4.33Å; A247-V250 PolarHBondContact N-O 3.43Å; A247-V250 PolarHBondContact O-N 3.13Å
248	P	94.7	Very high	95	Very high	119 Å²	119	62.3 Å²	62.3	77%	0.773	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.5	124.1	173.8	-27.3	36	0	0	0	111.1	V250	P248-V250 PolarHBondContact O-N 2.83Å
249	D	88.8	Confident	95	Very high	154 Å²	154	62.9 Å²	62.9	82%	0.824	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	7.3	-178.4	-52.9	-44.3	0	0	0	116.9	A247	A247-D249 PolarHBondContact O-N 2.93Å; A247-D249 VanDerWaalsContact O-N 3.12Å
250	V	93.1	Very high	95	Very high	80 Å²	80	62.9 Å²	62.9	49%	0.485	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	110	176.5	-178.3	0	0	0	0	109.6	L245 A246 A247 P248	L245-V250 CarbonylContact C-O 3.53Å; L245-V250 WeakPolarHBondContact CA-O 3.49Å; A246-V250 PolarHBondContact N-O 2.97Å; A247-V250 HydrophobicContact CB-CB 4.11Å; A247-V250 HydrophobicContact CB-CG2 4.33Å; A247-V250 PolarHBondContact N-O 3.43Å; A247-V250 PolarHBondContact O-N 3.13Å; P248-V250 PolarHBondContact O-N 2.83Å
251	P	93.8	Very high	95	Very high	76 Å²	76	63.2 Å²	63.2	49%	0.494	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	147.8	-179.6	32.6	-35.4	0	0	0	112.1	V243 S244 L245	V243-P251 HydrophobicContact CG1-CB 3.6Å; S244-P251 WeakPolarHBondContact O-CA 3.23Å; L245-P251 HydrophobicContact CD2-CB 4.25Å
252	Y	94.5	Very high	95.1	Very high	145 Å²	145	63.1 Å²	63.1	57%	0.569	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-64.5	160.6	154.9	-73.9	-72.2	0	0	0	109.8	S244 L245 A246 F254	S244-Y252 PolarHBondContact O-N 3.13Å; L245-Y252 VanDerWaalsContact O-CE2 3.3Å; L245-Y252 WeakPolarHBondContact O-CE2 3.23Å; A246-Y252 HydrophobicContact CB-CD1 3.79Å; A246-Y252 HydrophobicContact CB-CD2 3.95Å; A246-Y252 HydrophobicContact CB-CE1 3.58Å; A246-Y252 HydrophobicContact CB-CE2 3.76Å; A246-Y252 HydrophobicContact CB-CG 3.96Å; Y252-F254 PolarHBondContact O-N 3.34Å; Y252-F254 VanDerWaalsContact O-N 3.08Å
253	V	93	Very high	95.3	Very high	116 Å²	116	59.9 Å²	59.9	70%	0.703	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-54.5	119.9	169	179.8	0	0	0	0	108.9	R255 K433	V253-R255 PolarHBondContact O-N 3.02Å; V253-K433 HydrophobicContact CG1-CD 4.24Å
254	F	94.6	Very high	95.5	Very high	57 Å²	57	56.6 Å²	56.6	25%	0.25	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-63.7	133.1	-176.9	178.2	-105.6	0	0	0	110.9	A241 V243 Y252 Q256 R267 P269	A241-F254 HydrophobicContact CB-CE2 4.03Å; A241-F254 HydrophobicContact CB-CZ 4.18Å; V243-F254 HydrophobicContact CG2-CD2 4.14Å; Y252-F254 PolarHBondContact O-N 3.34Å; Y252-F254 VanDerWaalsContact O-N 3.08Å; F254-Q256 HydrophobicContact CE1-CB 4.12Å; F254-Q256 HydrophobicContact CZ-CB 4.37Å; F254-R267 WeakPolarHBondContact CE1-O 3.37Å; F254-P269 HydrophobicContact CD2-CB 4.24Å; F254-P269 HydrophobicContact CE2-CB 3.64Å; F254-P269 HydrophobicContact CZ-CB 3.83Å
255	R	94.5	Very high	95.7	Very high	90 Å²	90	53.1 Å²	53.1	34%	0.34	29%	0.294	S	S	.	.			trans	-125.3	131.6	168.9	-171.6	-173.1	178.7	-80.7	10.2	108.5	A241 V253 S258 E471 L567 D568	A241-R255 WeakPolarHBondContact CB-O 3.41Å; V253-R255 PolarHBondContact O-N 3.02Å; R255-S258 PolarHBondContact NH1-OG 3.01Å; R255-S258 VanDerWaalsContact NH1-OG 3.11Å; R255-S258 PolarHBondContact NH2-OG 2.95Å; R255-E471 IonicContact NE-OE2 3.48Å; R255-L567 PolarHBondContact NH2-O 3.22Å; R255-D568 IonicContact CZ-OD1 3.66Å; R255-D568 IonicContact NH1-OD1 2.67Å; R255-D568 IonicContact NH2-OD1 3.7Å; R255-D568 PolarHBondContact NH2-OD1 2.88Å
256	Q	96.7	Very high	95.8	Very high	14 Å²	14	48.3 Å²	48.3	7%	0.065	27%	0.269	C	S	.	.			trans	-74.2	157.5	179.3	-169.5	55.4	-81.7	0	0	111.3	F254 F260 F261 L266 E268	F254-Q256 HydrophobicContact CE1-CB 4.12Å; F254-Q256 HydrophobicContact CZ-CB 4.37Å; Q256-F260 VanDerWaalsContact CD-CD1 3.48Å; Q256-F260 HydrophobicContact CG-CD1 3.81Å; Q256-F261 HydrophobicContact CB-CB 4.22Å; Q256-F261 HydrophobicContact CB-CD2 4.28Å; Q256-F261 HydrophobicContact CG-CB 3.8Å; Q256-F261 HydrophobicContact CG-CD2 4.15Å; Q256-F261 HydrophobicContact CG-CG 4.39Å; Q256-L266 PolarHBondContact NE2-O 3.24Å; Q256-E268 PolarHBondContact NE2-O 3.02Å
257	D	96.8	Very high	96	Very high	23 Å²	23	49.1 Å²	49.1	12%	0.123	26%	0.261	C	S	.	.			trans	-66.8	127.8	165.8	178.4	-77.2	0	0	0	109.7	A241 D259 F260 F261 R345	A241-D257 HydrophobicContact CB-CB 4.1Å; D257-D259 VanDerWaalsContact C-N 3.33Å; D257-D259 PolarHBondContact O-N 3.43Å; D257-D259 WeakPolarHBondContact OD1-CB 3.29Å; D257-D259 PolarHBondContact OD1-N 3.47Å; D257-F260 HydrophobicContact CB-CB 4.06Å; D257-F260 PolarHBondContact O-N 2.89Å; D257-F260 PolarHBondContact OD1-N 3.4Å; D257-F261 VanDerWaalsContact O-CB 3.29Å; D257-F261 WeakPolarHBondContact O-CB 3.34Å; D257-F261 PolarHBondContact O-N 3.48Å; D257-R345 IonicContact OD2-CZ 3.56Å; D257-R345 IonicContact OD2-NE 3.7Å; D257-R345 IonicContact OD2-NH2 3.67Å; D257-R345 PolarHBondContact OD2-NH2 3.31Å
258	S	97.6	Very high	96.1	Very high	9 Å²	9	47.6 Å²	47.6	6%	0.063	25%	0.246	C	C	.	.	H	α-helix	trans	-67.4	-32.4	-170.2	-49.4	0	0	0	0	112.8	R255 Y262 R380 L567 D568	R255-S258 PolarHBondContact NH1-OG 3.01Å; R255-S258 VanDerWaalsContact NH1-OG 3.11Å; R255-S258 PolarHBondContact NH2-OG 2.95Å; S258-Y262 WeakPolarHBondContact O-CB 3.48Å; S258-Y262 PolarHBondContact O-N 2.82Å; S258-R380 VanDerWaalsContact CB-NH2 3.35Å; S258-L567 WeakPolarHBondContact O-CD1 3.24Å; S258-D568 VanDerWaalsContact CB-OD2 3.25Å; S258-D568 WeakPolarHBondContact CB-OD2 3.36Å; S258-D568 PolarHBondContact OG-OD1 3.32Å; S258-D568 PolarHBondContact OG-OD2 3.48Å; S258-D568 VanDerWaalsContact OG-OD2 3.12Å
259	D	97.6	Very high	96.1	Very high	12 Å²	12	43.8 Å²	43.8	6%	0.064	22%	0.221	C	C	.	.	H	α-helix	trans	-71.1	-44	176.1	-79.2	-26.2	0	0	0	111.1	D257 L263 V344 L376 H377 R380	D257-D259 VanDerWaalsContact C-N 3.33Å; D257-D259 PolarHBondContact O-N 3.43Å; D257-D259 WeakPolarHBondContact OD1-CB 3.29Å; D257-D259 PolarHBondContact OD1-N 3.47Å; D259-L263 WeakPolarHBondContact O-CG 3.24Å; D259-L263 PolarHBondContact O-N 3.24Å; D259-V344 HydrophobicContact CB-CB 4.4Å; D259-V344 HydrophobicContact CB-CG2 4.17Å; D259-L376 HydrophobicContact CB-CD2 3.43Å; D259-L376 VanDerWaalsContact CB-CD2 3.43Å; D259-L376 HydrophobicContact CB-CG 4.5Å; D259-L376 VanDerWaalsContact OD1-CD2 3.26Å; D259-L376 WeakPolarHBondContact OD1-CD2 3.31Å; D259-L376 WeakPolarHBondContact OD1-CG 3.33Å; D259-H377 IonicContact OD1-CD2 3.79Å; D259-H377 IonicContact OD1-NE2 2.61Å; D259-H377 IonicContact OD2-NE2 3.54Å; D259-R380 WeakPolarHBondContact OD1-CD 3.33Å; D259-R380 IonicContact OD1-CZ 3.41Å; D259-R380 IonicContact OD1-NE 3.7Å; D259-R380 IonicContact OD1-NH1 3.65Å; D259-R380 PolarHBondContact OD1-NH1 3.28Å
260	F	98.3	Very high	96.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.8	-44.8	173.6	179.4	-93.1	0	0	0	111.9	I238 A240 Q256 D257 L263 T264 L266 L273 I286	I238-F260 HydrophobicContact CG2-CB 4.08Å; I238-F260 HydrophobicContact CG2-CD2 4.17Å; I238-F260 WeakPolarHBondContact O-CD2 3.26Å; A240-F260 HydrophobicContact CB-CD1 3.68Å; A240-F260 HydrophobicContact CB-CD2 3.94Å; A240-F260 HydrophobicContact CB-CE1 3.7Å; A240-F260 HydrophobicContact CB-CE2 3.96Å; A240-F260 HydrophobicContact CB-CG 3.79Å; A240-F260 HydrophobicContact CB-CZ 3.84Å; Q256-F260 VanDerWaalsContact CD-CD1 3.48Å; Q256-F260 HydrophobicContact CG-CD1 3.81Å; D257-F260 HydrophobicContact CB-CB 4.06Å; D257-F260 PolarHBondContact O-N 2.89Å; D257-F260 PolarHBondContact OD1-N 3.4Å; F260-L263 PolarHBondContact O-N 3.01Å; F260-T264 HydrophobicContact CD2-CG2 4.41Å; F260-T264 WeakPolarHBondContact CE1-OG1 3.43Å; F260-T264 HydrophobicContact CE2-CG2 4.12Å; F260-T264 HydrophobicContact CZ-CG2 4.19Å; F260-T264 WeakPolarHBondContact O-CB 3.39Å; F260-T264 WeakPolarHBondContact O-CG2 3.2Å; F260-T264 PolarHBondContact O-N 2.76Å; F260-T264 PolarHBondContact O-OG1 3.27Å; F260-L266 HydrophobicContact CE1-CB 3.95Å; F260-L266 HydrophobicContact CE1-CD2 4.42Å; F260-L266 WeakPolarHBondContact CE1-O 3.49Å; F260-L266 HydrophobicContact CZ-CB 4.29Å; F260-L266 HydrophobicContact CZ-CD2 4.11Å; F260-L273 HydrophobicContact CD2-CB 4.14Å; F260-L273 HydrophobicContact CE2-CB 3.84Å; F260-I286 HydrophobicContact CE2-CD1 4.3Å; F260-I286 HydrophobicContact CZ-CD1 3.97Å
261	F	98.4	Very high	96.7	Very high	8 Å²	8	34 Å²	34	4%	0.035	17%	0.171	C	C	.	.	H	α-helix	trans	-64.1	-44.4	179.5	-170.6	-109.7	0	0	0	111.2	T206 Y214 Q256 D257 L263 T264 G265 R267 L567	T206-F261 HydrophobicContact CG2-CE1 4.46Å; T206-F261 HydrophobicContact CG2-CE2 3.91Å; T206-F261 HydrophobicContact CG2-CZ 3.57Å; Y214-F261 WeakPolarHBondContact CE1-O 3.23Å; Q256-F261 HydrophobicContact CB-CB 4.22Å; Q256-F261 HydrophobicContact CB-CD2 4.28Å; Q256-F261 HydrophobicContact CG-CB 3.8Å; Q256-F261 HydrophobicContact CG-CD2 4.15Å; Q256-F261 HydrophobicContact CG-CG 4.39Å; D257-F261 VanDerWaalsContact O-CB 3.29Å; D257-F261 WeakPolarHBondContact O-CB 3.34Å; D257-F261 PolarHBondContact O-N 3.48Å; F261-L263 PolarHBondContact O-N 3.49Å; F261-L263 VanDerWaalsContact O-N 3.16Å; F261-T264 PolarHBondContact O-N 3.47Å; F261-G265 WeakPolarHBondContact O-CA 3.28Å; F261-G265 PolarHBondContact O-N 3.46Å; F261-R267 HydrophobicContact CE2-CG 4.06Å; F261-L567 HydrophobicContact CD1-CD1 4.49Å; F261-L567 HydrophobicContact CD1-CD2 3.83Å; F261-L567 HydrophobicContact CE1-CD2 4.09Å
262	Y	98.7	Very high	96.9	Very high	14 Å²	14	30.4 Å²	30.4	6%	0.055	15%	0.147	C	C	.	.	H	α-helix	trans	-55.4	-34.4	177.2	178.7	-98.4	0	0	0	113.2	Y214 R217 S258 L376 L379 R380 E387 L567	Y214-Y262 VanDerWaalsContact CD1-O 3.3Å; Y214-Y262 WeakPolarHBondContact CD1-O 3.25Å; Y214-Y262 VanDerWaalsContact CE1-O 3.31Å; Y214-Y262 WeakPolarHBondContact CE1-O 3.48Å; R217-Y262 HydrophobicContact CB-CE1 4.05Å; R217-Y262 WeakPolarHBondContact CD-O 3.41Å; R217-Y262 HydrophobicContact CG-CE1 4Å; R217-Y262 VanDerWaalsContact NH1-CE2 3.3Å; R217-Y262 PolarHBondContact NH1-O 3.44Å; S258-Y262 WeakPolarHBondContact O-CB 3.48Å; S258-Y262 PolarHBondContact O-N 2.82Å; Y262-L376 HydrophobicContact CD1-CD1 3.76Å; Y262-L376 HydrophobicContact CE1-CD1 3.94Å; Y262-L379 HydrophobicContact CE1-CB 4.21Å; Y262-L379 PolarHBondContact OH-O 3.23Å; Y262-R380 HydrophobicContact CD1-CG 3.85Å; Y262-R380 HydrophobicContact CD2-CG 3.53Å; Y262-R380 HydrophobicContact CE1-CG 4Å; Y262-R380 HydrophobicContact CE2-CB 4.38Å; Y262-R380 HydrophobicContact CE2-CG 3.68Å; Y262-R380 HydrophobicContact CG-CG 3.61Å; Y262-E387 VanDerWaalsContact CE2-OE1 3.27Å; Y262-E387 WeakPolarHBondContact CE2-OE1 3.24Å; Y262-L567 HydrophobicContact CD2-CD1 4.17Å; Y262-L567 HydrophobicContact CG-CD1 4.46Å
263	L	98.7	Very high	97.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-91.9	-15.6	-176.6	-67	175.6	0	0	0	114.6	R217 R218 F221 I238 D259 F260 F261 L273 L376	R217-L263 HydrophobicContact CB-CD2 4.14Å; R218-L263 HydrophobicContact CG-CB 4.21Å; R218-L263 HydrophobicContact CG-CD2 4.28Å; R218-L263 WeakPolarHBondContact CG-O 3.45Å; R218-L263 PolarHBondContact NH1-O 2.9Å; F221-L263 HydrophobicContact CB-CD2 4.19Å; F221-L263 HydrophobicContact CD1-CD1 3.71Å; F221-L263 HydrophobicContact CD1-CD2 4.33Å; F221-L263 HydrophobicContact CE1-CD1 4.03Å; I238-L263 HydrophobicContact CD1-CD1 4.4Å; I238-L263 HydrophobicContact CG1-CD1 3.9Å; I238-L263 HydrophobicContact CG2-CD1 4.03Å; D259-L263 WeakPolarHBondContact O-CG 3.24Å; D259-L263 PolarHBondContact O-N 3.24Å; F260-L263 PolarHBondContact O-N 3.01Å; F261-L263 PolarHBondContact O-N 3.49Å; F261-L263 VanDerWaalsContact O-N 3.16Å; L263-L273 HydrophobicContact CB-CD2 3.86Å; L263-L273 HydrophobicContact CD1-CD2 4.18Å; L263-L376 HydrophobicContact CD1-CD1 4.25Å; L263-L376 HydrophobicContact CD1-CD2 4.02Å; L263-L376 HydrophobicContact CD2-CD1 4.02Å; L263-L376 HydrophobicContact CG-CD1 4.22Å
264	T	98.5	Very high	97.4	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-131.4	-31.8	-169.6	66.4	0	0	0	0	115	F260 F261 L266 L273 I286 T312	F260-T264 HydrophobicContact CD2-CG2 4.41Å; F260-T264 WeakPolarHBondContact CE1-OG1 3.43Å; F260-T264 HydrophobicContact CE2-CG2 4.12Å; F260-T264 HydrophobicContact CZ-CG2 4.19Å; F260-T264 WeakPolarHBondContact O-CB 3.39Å; F260-T264 WeakPolarHBondContact O-CG2 3.2Å; F260-T264 PolarHBondContact O-N 2.76Å; F260-T264 PolarHBondContact O-OG1 3.27Å; F261-T264 PolarHBondContact O-N 3.47Å; T264-L266 PolarHBondContact O-N 3.02Å; T264-L266 PolarHBondContact OG1-N 2.92Å; T264-L273 HydrophobicContact CG2-CB 4.21Å; T264-L273 HydrophobicContact CG2-CD1 4.32Å; T264-L273 HydrophobicContact CG2-CD2 3.73Å; T264-L273 HydrophobicContact CG2-CG 4.31Å; T264-I286 HydrophobicContact CG2-CD1 4.21Å; T264-T312 WeakPolarHBondContact O-CG2 3.26Å
265	G	98.1	Very high	97.6	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.076	C	C	.	.			trans	64.4	7.4	-165.7	0	0	0	0	0	114.1	Q190 Y214 F261	Q190-G265 PolarHBondContact NE2-O 3.33Å; Y214-G265 VanDerWaalsContact CE1-N 3.3Å; F261-G265 WeakPolarHBondContact O-CA 3.28Å; F261-G265 PolarHBondContact O-N 3.46Å
266	L	98.1	Very high	97.7	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.067	C	C	.	.			trans	-85.7	133.3	-174.7	-171.2	74.2	0	0	0	111.1	Q256 F260 T264 E268 I286 V288 A308 L311 T312	Q256-L266 PolarHBondContact NE2-O 3.24Å; F260-L266 HydrophobicContact CE1-CB 3.95Å; F260-L266 HydrophobicContact CE1-CD2 4.42Å; F260-L266 WeakPolarHBondContact CE1-O 3.49Å; F260-L266 HydrophobicContact CZ-CB 4.29Å; F260-L266 HydrophobicContact CZ-CD2 4.11Å; T264-L266 PolarHBondContact O-N 3.02Å; T264-L266 PolarHBondContact OG1-N 2.92Å; L266-E268 HydrophobicContact CD1-CB 4.36Å; L266-E268 HydrophobicContact CD2-CB 4Å; L266-E268 HydrophobicContact CG-CB 4.02Å; L266-I286 HydrophobicContact CD2-CD1 3.56Å; L266-I286 HydrophobicContact CD2-CG1 4.47Å; L266-V288 HydrophobicContact CD2-CG1 4.25Å; L266-A308 HydrophobicContact CD1-CB 4.45Å; L266-A308 HydrophobicContact CD2-CB 4.27Å; L266-L311 HydrophobicContact CD1-CD1 4.03Å; L266-T312 HydrophobicContact CB-CG2 3.9Å; L266-T312 HydrophobicContact CD1-CG2 4.28Å; L266-T312 HydrophobicContact CG-CG2 4.46Å
267	R	96.6	Very high	97.6	Very high	67 Å²	67	12.9 Å²	12.9	25%	0.253	7%	0.069	S	C	.	.			trans	-101.8	0.9	177.8	-66.9	-169.3	162.5	-155.7	-1.2	113.9	Q190 F254 F261 P269 E432	Q190-R267 HydrophobicContact CB-CB 4.22Å; F254-R267 WeakPolarHBondContact CE1-O 3.37Å; F261-R267 HydrophobicContact CE2-CG 4.06Å; R267-P269 WeakPolarHBondContact O-CD 3.37Å; R267-E432 IonicContact CZ-OE2 3.73Å; R267-E432 IonicContact NH1-OE2 3.25Å; R267-E432 PolarHBondContact NH1-OE2 3.36Å; R267-E432 IonicContact NH2-OE1 2.74Å; R267-E432 PolarHBondContact NH2-OE1 3.02Å; R267-E432 IonicContact NH2-OE2 3.84Å; R267-E432 PolarHBondContact NH2-OE2 3.3Å
268	E	96.3	Very high	97.3	Very high	16 Å²	16	13.6 Å²	13.6	8%	0.075	8%	0.076	C	C	.	.			trans	-67.2	120.5	177	-167.2	168.2	152	0	0	110.6	Q256 L266 S271 A289 A303 G304	Q256-E268 PolarHBondContact NE2-O 3.02Å; L266-E268 HydrophobicContact CD1-CB 4.36Å; L266-E268 HydrophobicContact CD2-CB 4Å; L266-E268 HydrophobicContact CG-CB 4.02Å; E268-S271 PolarHBondContact O-OG 2.88Å; E268-A289 PolarHBondContact OE1-N 2.87Å; E268-A303 VanDerWaalsContact OE2-CB 3.24Å; E268-A303 WeakPolarHBondContact OE2-CB 3.5Å; E268-A303 PolarHBondContact OE2-N 3.27Å; E268-G304 PolarHBondContact OE2-N 3.31Å
269	P	96.1	Very high	96.6	Very high	38 Å²	38	18.5 Å²	18.5	25%	0.247	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	159.1	-174.7	29.1	-36.4	0	0	0	111.9	V243 F254 R267 S271	V243-P269 HydrophobicContact CG2-CB 3.86Å; V243-P269 HydrophobicContact CG2-CG 4.05Å; F254-P269 HydrophobicContact CD2-CB 4.24Å; F254-P269 HydrophobicContact CE2-CB 3.64Å; F254-P269 HydrophobicContact CZ-CB 3.83Å; R267-P269 WeakPolarHBondContact O-CD 3.37Å; P269-S271 PolarHBondContact O-N 2.7Å
270	A	96.2	Very high	96	Very high	30 Å²	30	24.6 Å²	24.6	25%	0.248	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	8.5	176.1	0	0	0	0	0	115.8	A241 T242 H320 N352	A241-A270 PolarHBondContact O-N 3.43Å; T242-A270 HydrophobicContact CG2-CB 4.11Å; A270-H320 PolarHBondContact O-CE1 3.21Å; A270-H320 PolarHBondContact O-NE2 3.13Å; A270-N352 HydrophobicContact CB-CB 3.92Å; A270-N352 WeakPolarHBondContact O-CB 3.28Å; A270-N352 PolarHBondContact O-ND2 3.36Å
271	S	98	Very high	95.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.154	C	C	.	.			trans	-61.1	160.9	173.3	-55.9	0	0	0	0	112.8	A240 E268 P269 F287 N352	A240-S271 WeakPolarHBondContact CB-O 3.3Å; A240-S271 PolarHBondContact N-O 2.92Å; E268-S271 PolarHBondContact O-OG 2.88Å; P269-S271 PolarHBondContact O-N 2.7Å; S271-F287 CarbonylContact C-O 3.57Å; S271-F287 WeakPolarHBondContact CA-O 3.37Å; S271-N352 PolarHBondContact O-ND2 3.48Å
272	L	98.6	Very high	95.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	117.9	172.6	174.3	63.4	0	0	0	109.8	L237 P239 I274 I286 F287 I323 Y355	L237-L272 HydrophobicContact CB-CD1 4.45Å; P239-L272 HydrophobicContact CB-CD1 4.3Å; L272-I274 HydrophobicContact CD2-CD1 4.01Å; L272-I274 HydrophobicContact CD2-CG1 4.13Å; L272-I274 HydrophobicContact CG-CD1 4.37Å; L272-I274 HydrophobicContact CG-CG1 3.94Å; L272-I286 WeakPolarHBondContact O-CA 3.21Å; L272-F287 HydrophobicContact CB-CB 4.33Å; L272-F287 PolarHBondContact N-O 2.85Å; L272-F287 PolarHBondContact O-N 2.92Å; L272-I323 HydrophobicContact CD2-CD1 3.79Å; L272-I323 HydrophobicContact CD2-CG1 4.38Å; L272-Y355 HydrophobicContact CD1-CD2 4.1Å
273	L	98.7	Very high	95.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	131	168	171.3	75.3	0	0	0	108.4	I238 F260 L263 T264 L275 A284 V314	I238-L273 HydrophobicContact CB-CB 4.11Å; I238-L273 HydrophobicContact CB-CD2 4.25Å; I238-L273 HydrophobicContact CB-CG 4.46Å; I238-L273 HydrophobicContact CD1-CD2 4Å; I238-L273 HydrophobicContact CD1-CG 4.13Å; I238-L273 HydrophobicContact CG1-CD2 4.4Å; I238-L273 PolarHBondContact N-O 2.82Å; I238-L273 PolarHBondContact O-N 2.96Å; F260-L273 HydrophobicContact CD2-CB 4.14Å; F260-L273 HydrophobicContact CE2-CB 3.84Å; L263-L273 HydrophobicContact CB-CD2 3.86Å; L263-L273 HydrophobicContact CD1-CD2 4.18Å; T264-L273 HydrophobicContact CG2-CB 4.21Å; T264-L273 HydrophobicContact CG2-CD1 4.32Å; T264-L273 HydrophobicContact CG2-CD2 3.73Å; T264-L273 HydrophobicContact CG2-CG 4.31Å; L273-L275 HydrophobicContact CD1-CD2 4.11Å; L273-L275 HydrophobicContact CD2-CD2 4.22Å; L273-L275 HydrophobicContact CG-CD2 4.21Å; L273-A284 HydrophobicContact CD1-CB 4.39Å; L273-V314 HydrophobicContact CD1-CG1 4.01Å
274	I	98.6	Very high	95.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	122.5	170.9	-57.1	-170.1	0	0	0	109.1	I235 I236 L237 L272 Y276 A284 A285 F287 I323 F326 V327	I235-I274 HydrophobicContact CD1-CG2 3.86Å; I235-I274 HydrophobicContact CG1-CG2 3.64Å; I236-I274 WeakPolarHBondContact O-CA 3.37Å; L237-I274 HydrophobicContact CD2-CD1 3.7Å; L237-I274 HydrophobicContact CD2-CG1 3.78Å; L237-I274 HydrophobicContact CD2-CG2 4.27Å; L272-I274 HydrophobicContact CD2-CD1 4.01Å; L272-I274 HydrophobicContact CD2-CG1 4.13Å; L272-I274 HydrophobicContact CG-CD1 4.37Å; L272-I274 HydrophobicContact CG-CG1 3.94Å; I274-Y276 HydrophobicContact CG2-CD1 4.21Å; I274-A284 WeakPolarHBondContact O-CA 3.49Å; I274-A285 PolarHBondContact N-O 2.94Å; I274-A285 PolarHBondContact O-N 2.54Å; I274-F287 HydrophobicContact CB-CE2 4.4Å; I274-F287 HydrophobicContact CD1-CD2 4.14Å; I274-F287 HydrophobicContact CD1-CE2 3.68Å; I274-F287 HydrophobicContact CG1-CD2 4.21Å; I274-F287 HydrophobicContact CG1-CE2 3.99Å; I274-I323 HydrophobicContact CD1-CD1 3.81Å; I274-F326 HydrophobicContact CB-CE1 4.49Å; I274-F326 HydrophobicContact CD1-CD1 4.14Å; I274-F326 HydrophobicContact CD1-CE1 3.94Å; I274-F326 HydrophobicContact CG2-CE1 4.16Å; I274-V327 HydrophobicContact CD1-CG2 4.2Å
275	L	98.3	Very high	95.3	Very high	7 Å²	7	34.6 Å²	34.6	4%	0.037	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	127.4	165.2	-51.2	-178.8	0	0	0	107.9	R218 F221 W222 I235 I236 I238 L273 K283 A284	R218-L275 HydrophobicContact CB-CD1 4.36Å; R218-L275 HydrophobicContact CB-CD2 4.23Å; R218-L275 HydrophobicContact CG-CD2 4.27Å; F221-L275 HydrophobicContact CD1-CD1 3.98Å; W222-L275 HydrophobicContact CE3-CB 3.93Å; W222-L275 HydrophobicContact CZ3-CB 4.35Å; I235-L275 CarbonylContact C-O 3.49Å; I235-L275 VanDerWaalsContact CA-O 3.31Å; I235-L275 WeakPolarHBondContact CA-O 3.41Å; I236-L275 HydrophobicContact CB-CB 4.15Å; I236-L275 HydrophobicContact CD1-CB 4.34Å; I236-L275 HydrophobicContact CD1-CD1 4.29Å; I236-L275 HydrophobicContact CG1-CB 4.34Å; I236-L275 PolarHBondContact N-O 2.62Å; I236-L275 PolarHBondContact O-N 2.8Å; I238-L275 HydrophobicContact CD1-CD1 4.28Å; I238-L275 HydrophobicContact CD1-CG 3.97Å; L273-L275 HydrophobicContact CD1-CD2 4.11Å; L273-L275 HydrophobicContact CD2-CD2 4.22Å; L273-L275 HydrophobicContact CG-CD2 4.21Å; L275-K283 CarbonylContact C-O 3.38Å; L275-K283 WeakPolarHBondContact CA-O 3.47Å; L275-A284 HydrophobicContact CD2-CB 3.67Å
276	Y	96.5	Very high	95.3	Very high	36 Å²	36	34.6 Å²	34.6	14%	0.141	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	160.4	-174.8	72.2	-73.9	0	0	0	112.8	W222 Q234 I274 K283 A285 W316 F326 Y330	W222-Y276 VanDerWaalsContact CH2-C 3.47Å; Q234-Y276 CarbonylContact O-C 3.55Å; Q234-Y276 WeakPolarHBondContact O-CA 3.36Å; I274-Y276 HydrophobicContact CG2-CD1 4.21Å; Y276-K283 HydrophobicContact CD1-CB 4.08Å; Y276-K283 HydrophobicContact CE1-CB 3.57Å; Y276-K283 HydrophobicContact CE2-CB 4.22Å; Y276-K283 PolarHBondContact N-O 3.4Å; Y276-K283 PolarHBondContact O-N 3.17Å; Y276-A285 HydrophobicContact CD1-CB 4.44Å; Y276-A285 HydrophobicContact CE1-CB 3.85Å; Y276-W316 HydrophobicContact CE1-CZ2 4.38Å; Y276-W316 AromaticContact CE1-NE1 3.97Å; Y276-W316 AromaticContact CZ-NE1 3.81Å; Y276-W316 PolarHBondContact OH-NE1 3.07Å; Y276-F326 AromaticContact CD1-CZ 3.82Å; Y276-F326 HydrophobicContact CD1-CZ 3.82Å; Y276-F326 HydrophobicContact CD2-CZ 4.01Å; Y276-F326 HydrophobicContact CE1-CE2 4.25Å; Y276-F326 AromaticContact CE1-CZ 3.68Å; Y276-F326 HydrophobicContact CE1-CZ 3.68Å; Y276-F326 HydrophobicContact CE2-CE2 4.07Å; Y276-F326 AromaticContact CE2-CZ 3.86Å; Y276-F326 HydrophobicContact CE2-CZ 3.86Å; Y276-F326 AromaticContact CG-CZ 3.99Å; Y276-F326 HydrophobicContact CG-CZ 3.99Å; Y276-F326 AromaticContact CZ-CE2 3.87Å; Y276-F326 AromaticContact CZ-CZ 3.69Å; Y276-Y330 AromaticContact CD2-CD2 3.67Å; Y276-Y330 HydrophobicContact CD2-CD2 3.67Å; Y276-Y330 AromaticContact CD2-CE2 3.74Å; Y276-Y330 HydrophobicContact CD2-CE2 3.74Å; Y276-Y330 HydrophobicContact CE2-CD2 4.44Å; Y276-Y330 HydrophobicContact CG-CD2 4.49Å; Y276-Y330 HydrophobicContact CG-CE2 4.43Å
277	G	94.6	Very high	95.4	Very high	10 Å²	10	34.6 Å²	34.6	10%	0.103	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	131	-155.9	174.6	0	0	0	0	0	114.1	W222 N233 Q234 Y330	W222-G277 WeakPolarHBondContact CH2-O 3.23Å; N233-G277 WeakPolarHBondContact CA-O 3.48Å; Q234-G277 PolarHBondContact N-O 3.28Å; Q234-G277 PolarHBondContact O-N 3.33Å; G277-Y330 PolarHBondContact O-OH 2.67Å
278	S	90.4	Very high	95.4	Very high	38 Å²	38	31.4 Å²	31.4	27%	0.266	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	167.6	175.8	82.3	0	0	0	0	111	W222 N280 T281	W222-S278 WeakPolarHBondContact CZ2-O 3.45Å; S278-N280 VanDerWaalsContact C-N 3.26Å; S278-N280 PolarHBondContact O-N 2.86Å; S278-N280 VanDerWaalsContact O-N 3.12Å; S278-T281 CarbonylContact O-C 3.59Å; S278-T281 PolarHBondContact O-N 3.38Å; S278-T281 PolarHBondContact OG-OG1 2.94Å
279	E	83.7	Confident	95.4	Very high	112 Å²	112	32 Å²	32	52%	0.523	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.2	-50.3	-175	-167.9	169.2	178.3	0	0	113.2	W226	W226-E279 HydrophobicContact CD2-CB 4.33Å; W226-E279 HydrophobicContact CD2-CG 4.37Å; W226-E279 HydrophobicContact CH2-CB 3.94Å; W226-E279 HydrophobicContact CZ2-CB 3.36Å; W226-E279 HydrophobicContact CZ2-CG 4.07Å
280	N	84.8	Confident	95.3	Very high	140 Å²	140	37.1 Å²	37.1	75%	0.749	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-3.6	-171.6	-63.3	-47.5	0	0	0	112.9	S278 P282	S278-N280 VanDerWaalsContact C-N 3.26Å; S278-N280 PolarHBondContact O-N 2.86Å; S278-N280 VanDerWaalsContact O-N 3.12Å; N280-P282 VanDerWaalsContact C-CD 3.44Å
281	T	90.5	Very high	95.1	Very high	82 Å²	82	40.5 Å²	40.5	50%	0.503	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	54.8	-179.2	68.6	0	0	0	0	111.8	S278	S278-T281 CarbonylContact O-C 3.59Å; S278-T281 PolarHBondContact O-N 3.38Å; S278-T281 PolarHBondContact OG-OG1 2.94Å
282	P	93.9	Very high	94.9	Very high	54 Å²	54	44.3 Å²	44.3	35%	0.351	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	141.4	173.6	25.4	-32.3	0	0	0	110.9	W222 N280	W222-P282 HydrophobicContact CD2-CB 3.78Å; W222-P282 HydrophobicContact CE3-CB 4.47Å; W222-P282 HydrophobicContact CG-CB 3.87Å; W222-P282 HydrophobicContact CZ2-CB 4.19Å; N280-P282 VanDerWaalsContact C-CD 3.44Å
283	K	97	Very high	94.6	Very high	91 Å²	91	52.9 Å²	52.9	40%	0.396	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	145.4	173.3	-66.1	-61.8	-178.6	-168	0	110.4	L275 Y276 D315	L275-K283 CarbonylContact C-O 3.38Å; L275-K283 WeakPolarHBondContact CA-O 3.47Å; Y276-K283 HydrophobicContact CD1-CB 4.08Å; Y276-K283 HydrophobicContact CE1-CB 3.57Å; Y276-K283 HydrophobicContact CE2-CB 4.22Å; Y276-K283 PolarHBondContact N-O 3.4Å; Y276-K283 PolarHBondContact O-N 3.17Å; K283-D315 WeakPolarHBondContact CA-OD2 3.31Å; K283-D315 HydrophobicContact CD-CB 4.09Å; K283-D315 WeakPolarHBondContact CD-OD1 3.48Å; K283-D315 IonicContact NZ-OD1 2.79Å; K283-D315 PolarHBondContact NZ-OD1 3.36Å
284	A	98.4	Very high	94.3	Very high	6 Å²	6	57.3 Å²	57.3	5%	0.05	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	125.2	172.3	0	0	0	0	0	109.7	L273 I274 L275 V314 D315 W316	L273-A284 HydrophobicContact CD1-CB 4.39Å; I274-A284 WeakPolarHBondContact O-CA 3.49Å; L275-A284 HydrophobicContact CD2-CB 3.67Å; A284-V314 HydrophobicContact CB-CB 4.02Å; A284-V314 HydrophobicContact CB-CG1 3.89Å; A284-D315 PolarHBondContact N-OD2 2.77Å; A284-D315 WeakPolarHBondContact O-CB 3.39Å; A284-D315 PolarHBondContact O-N 2.92Å; A284-W316 PolarHBondContact O-N 2.8Å
285	A	98.4	Very high	94	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	141.5	171.8	0	0	0	0	0	109.8	I274 Y276 F287 W316	I274-A285 PolarHBondContact N-O 2.94Å; I274-A285 PolarHBondContact O-N 2.54Å; Y276-A285 HydrophobicContact CD1-CB 4.44Å; Y276-A285 HydrophobicContact CE1-CB 3.85Å; A285-F287 HydrophobicContact CB-CE2 3.95Å; A285-F287 HydrophobicContact CB-CZ 4.48Å; A285-W316 WeakPolarHBondContact CA-O 3.23Å; A285-W316 HydrophobicContact CB-CD2 4.05Å; A285-W316 HydrophobicContact CB-CE3 4.48Å; A285-W316 HydrophobicContact CB-CH2 3.82Å; A285-W316 HydrophobicContact CB-CZ2 3.24Å; A285-W316 HydrophobicContact CB-CZ3 4.39Å
286	I	98.6	Very high	93.8	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	130.8	173	-157.2	161.8	0	0	0	111	F260 T264 L266 L272 V288 A308 T312 V314 W316 A317 A318	F260-I286 HydrophobicContact CE2-CD1 4.3Å; F260-I286 HydrophobicContact CZ-CD1 3.97Å; T264-I286 HydrophobicContact CG2-CD1 4.21Å; L266-I286 HydrophobicContact CD2-CD1 3.56Å; L266-I286 HydrophobicContact CD2-CG1 4.47Å; L272-I286 WeakPolarHBondContact O-CA 3.21Å; I286-V288 HydrophobicContact CG1-CG1 4.34Å; I286-V288 HydrophobicContact CG2-CG1 4.5Å; I286-A308 HydrophobicContact CG2-CB 3.97Å; I286-T312 HydrophobicContact CD1-CG2 4.22Å; I286-V314 HydrophobicContact CB-CG1 4.49Å; I286-V314 HydrophobicContact CB-CG2 4.18Å; I286-V314 HydrophobicContact CG2-CG2 3.68Å; I286-W316 PolarHBondContact N-O 3.17Å; I286-A317 HydrophobicContact CG2-CB 3.54Å; I286-A317 CarbonylContact O-C 3.55Å; I286-A317 WeakPolarHBondContact O-CA 3.25Å; I286-A318 PolarHBondContact O-N 2.79Å
287	F	98.6	Very high	93.6	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	123.6	178.4	-62.4	-96.6	0	0	0	108.9	S271 L272 I274 A285 W316 A318 H320 S322 I323 F326	S271-F287 CarbonylContact C-O 3.57Å; S271-F287 WeakPolarHBondContact CA-O 3.37Å; L272-F287 HydrophobicContact CB-CB 4.33Å; L272-F287 PolarHBondContact N-O 2.85Å; L272-F287 PolarHBondContact O-N 2.92Å; I274-F287 HydrophobicContact CB-CE2 4.4Å; I274-F287 HydrophobicContact CD1-CD2 4.14Å; I274-F287 HydrophobicContact CD1-CE2 3.68Å; I274-F287 HydrophobicContact CG1-CD2 4.21Å; I274-F287 HydrophobicContact CG1-CE2 3.99Å; A285-F287 HydrophobicContact CB-CE2 3.95Å; A285-F287 HydrophobicContact CB-CZ 4.48Å; F287-W316 HydrophobicContact CE1-CH2 4Å; F287-W316 HydrophobicContact CE1-CZ3 4.19Å; F287-W316 HydrophobicContact CE2-CH2 4.26Å; F287-W316 AromaticContact CZ-CH2 3.49Å; F287-W316 HydrophobicContact CZ-CH2 3.49Å; F287-W316 VanDerWaalsContact CZ-CH2 3.49Å; F287-W316 HydrophobicContact CZ-CZ2 4.36Å; F287-W316 HydrophobicContact CZ-CZ3 4.06Å; F287-A318 VanDerWaalsContact CA-O 3.27Å; F287-A318 WeakPolarHBondContact CA-O 3.4Å; F287-A318 HydrophobicContact CD1-CB 4.31Å; F287-A318 HydrophobicContact CE1-CB 4.26Å; F287-H320 PolarHBondContact O-CE1 2.88Å; F287-S322 WeakPolarHBondContact CE1-OG 3.23Å; F287-I323 HydrophobicContact CD1-CB 4.35Å; F287-I323 HydrophobicContact CD1-CD1 3.78Å; F287-I323 HydrophobicContact CD2-CD1 3.7Å; F287-I323 HydrophobicContact CE1-CD1 3.81Å; F287-I323 HydrophobicContact CE2-CD1 3.76Å; F287-I323 HydrophobicContact CG-CD1 3.72Å; F287-I323 HydrophobicContact CZ-CD1 3.8Å; F287-F326 HydrophobicContact CE1-CB 4.06Å; F287-F326 HydrophobicContact CE1-CD1 4.37Å; F287-F326 HydrophobicContact CE1-CG 4.23Å; F287-F326 AromaticContact CE2-CD1 3.92Å; F287-F326 HydrophobicContact CE2-CD1 3.92Å; F287-F326 HydrophobicContact CE2-CE1 4.15Å; F287-F326 HydrophobicContact CE2-CG 4.45Å; F287-F326 HydrophobicContact CZ-CB 3.84Å; F287-F326 AromaticContact CZ-CD1 3.38Å; F287-F326 HydrophobicContact CZ-CD1 3.38Å; F287-F326 HydrophobicContact CZ-CD2 4.23Å; F287-F326 AromaticContact CZ-CE1 3.97Å; F287-F326 HydrophobicContact CZ-CE1 3.97Å; F287-F326 AromaticContact CZ-CG 3.51Å; F287-F326 HydrophobicContact CZ-CG 3.51Å
288	V	98.1	Very high	93.5	Very high	0 Å²	0	77.2 Å²	77.2	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	173.8	-175.8	-61.7	0	0	0	0	110.5	L266 I286 T305 A308 A318 T319 H320	L266-V288 HydrophobicContact CD2-CG1 4.25Å; I286-V288 HydrophobicContact CG1-CG1 4.34Å; I286-V288 HydrophobicContact CG2-CG1 4.5Å; V288-T305 HydrophobicContact CG2-CG2 3.96Å; V288-A308 HydrophobicContact CG1-CB 3.89Å; V288-A318 PolarHBondContact N-O 2.95Å; V288-T319 CarbonylContact O-C 3.57Å; V288-T319 VanDerWaalsContact O-CA 3.24Å; V288-T319 WeakPolarHBondContact O-CA 3.27Å; V288-H320 VanDerWaalsContact C-CD2 3.45Å; V288-H320 PolarHBondContact O-CD2 3.39Å; V288-H320 VanDerWaalsContact O-CD2 3.3Å; V288-H320 PolarHBondContact O-N 3.36Å
289	A	95.3	Very high	93.4	Very high	28 Å²	28	80.8 Å²	80.8	23%	0.231	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-71.2	150.2	175.6	0	0	0	0	0	111	E268 R291 M302 H320	E268-A289 PolarHBondContact OE1-N 2.87Å; A289-R291 PolarHBondContact O-N 3.07Å; A289-M302 HydrophobicContact CB-CE 3.43Å; A289-M302 VanDerWaalsContact CB-CE 3.43Å; A289-H320 PolarHBondContact N-NE2 3.26Å
290	E	93.8	Very high	93.8	Very high	145 Å²	145	76.6 Å²	76.6	68%	0.678	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-66.6	135	169.3	-172.5	173.2	-174.8	0	0	109.2	N292 T319	E290-N292 PolarHBondContact O-N 2.93Å; E290-T319 HydrophobicContact CB-CG2 3.9Å; E290-T319 HydrophobicContact CG-CG2 4.27Å
291	R	92.9	Very high	94.2	Very high	101 Å²	101	72.6 Å²	72.6	38%	0.381	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-63.8	126.5	176.4	-69	-175.1	59.8	-148.6	-9.3	109.5	R186 A289 E296 M302	R186-R291 VanDerWaalsContact CZ-NH1 3.31Å; R186-R291 VanDerWaalsContact NH1-NE 3.12Å; A289-R291 PolarHBondContact O-N 3.07Å; R291-E296 IonicContact CZ-OE1 3.76Å; R291-E296 IonicContact CZ-OE2 3.92Å; R291-E296 IonicContact NE-OE1 3.7Å; R291-E296 PolarHBondContact NE-OE1 2.9Å; R291-E296 IonicContact NE-OE2 3.6Å; R291-E296 IonicContact NH2-OE1 3.68Å; R291-E296 PolarHBondContact NH2-OE1 2.81Å; R291-E296 VanDerWaalsContact NH2-OE1 3.08Å; R291-E296 IonicContact NH2-OE2 2.71Å; R291-E296 PolarHBondContact NH2-OE2 2.82Å; R291-M302 HydrophobicContact CG-CB 4.3Å
292	N	92.6	Very high	94.4	Very high	80 Å²	80	69.4 Å²	69.4	43%	0.428	34%	0.344	S	S	.	.			trans	-126.6	117.6	180	179.5	-48.9	0	0	0	108.8	E290 T294 K295 E296	E290-N292 PolarHBondContact O-N 2.93Å; N292-T294 VanDerWaalsContact C-N 3.26Å; N292-T294 PolarHBondContact O-N 3.32Å; N292-T294 WeakPolarHBondContact OD1-CA 3.37Å; N292-T294 VanDerWaalsContact OD1-CB 3.27Å; N292-T294 WeakPolarHBondContact OD1-CB 3.21Å; N292-T294 PolarHBondContact OD1-N 3.32Å; N292-K295 HydrophobicContact CB-CB 3.92Å; N292-K295 PolarHBondContact O-N 2.94Å; N292-K295 VanDerWaalsContact O-N 3.09Å; N292-K295 PolarHBondContact OD1-N 2.97Å; N292-E296 WeakPolarHBondContact O-CG 3.32Å; N292-E296 PolarHBondContact O-N 2.88Å
293	K	92.5	Very high	94.4	Very high	180 Å²	180	66.9 Å²	66.9	78%	0.783	33%	0.328	S	S	*	.	H	α-helix	trans	-59.3	-35.9	-177.2	-70.3	-175.5	179.1	179.6	0	113.2	L297	K293-L297 WeakPolarHBondContact O-CB 3.42Å; K293-L297 PolarHBondContact O-N 3.15Å
294	T	93.8	Very high	94.2	Very high	94 Å²	94	62.6 Å²	62.6	58%	0.577	31%	0.31	S	S	*	.	H	α-helix	trans	-66.5	-45.9	176.2	-53.3	0	0	0	0	109.8	N292 L297 W298	N292-T294 VanDerWaalsContact C-N 3.26Å; N292-T294 PolarHBondContact O-N 3.32Å; N292-T294 WeakPolarHBondContact OD1-CA 3.37Å; N292-T294 VanDerWaalsContact OD1-CB 3.27Å; N292-T294 WeakPolarHBondContact OD1-CB 3.21Å; N292-T294 PolarHBondContact OD1-N 3.32Å; T294-L297 WeakPolarHBondContact O-CB 3.48Å; T294-L297 PolarHBondContact O-N 3.41Å; T294-W298 PolarHBondContact O-N 2.92Å
295	K	90.9	Very high	94.1	Very high	86 Å²	86	64.6 Å²	64.6	37%	0.374	32%	0.321	S	S	.	.	H	α-helix	trans	-64.4	-41.4	176	-168	176.4	-174.8	-57.2	0	112.2	N292 L297 W298 D299 M302	N292-K295 HydrophobicContact CB-CB 3.92Å; N292-K295 PolarHBondContact O-N 2.94Å; N292-K295 VanDerWaalsContact O-N 3.09Å; N292-K295 PolarHBondContact OD1-N 2.97Å; K295-L297 PolarHBondContact O-N 3.15Å; K295-W298 PolarHBondContact O-N 3.03Å; K295-W298 VanDerWaalsContact O-N 3.1Å; K295-D299 VanDerWaalsContact CE-OD2 3.29Å; K295-D299 WeakPolarHBondContact CE-OD2 3.49Å; K295-D299 WeakPolarHBondContact CG-OD2 3.44Å; K295-D299 IonicContact NZ-OD2 3.52Å; K295-D299 PolarHBondContact NZ-OD2 3.49Å; K295-D299 PolarHBondContact O-N 2.9Å; K295-M302 HydrophobicContact CD-SD 4.08Å; K295-M302 HydrophobicContact CG-SD 4.42Å
296	E	93.6	Very high	94	Very high	32 Å²	32	66.3 Å²	66.3	15%	0.15	33%	0.33	C	S	.	.	H	α-helix	trans	-63	-28.4	176.6	-71.7	-175.9	156.3	0	0	112.7	R291 N292 G300 M302	R291-E296 IonicContact CZ-OE1 3.76Å; R291-E296 IonicContact CZ-OE2 3.92Å; R291-E296 IonicContact NE-OE1 3.7Å; R291-E296 PolarHBondContact NE-OE1 2.9Å; R291-E296 IonicContact NE-OE2 3.6Å; R291-E296 IonicContact NH2-OE1 3.68Å; R291-E296 PolarHBondContact NH2-OE1 2.81Å; R291-E296 VanDerWaalsContact NH2-OE1 3.08Å; R291-E296 IonicContact NH2-OE2 2.71Å; R291-E296 PolarHBondContact NH2-OE2 2.82Å; N292-E296 WeakPolarHBondContact O-CG 3.32Å; N292-E296 PolarHBondContact O-N 2.88Å; E296-G300 VanDerWaalsContact CA-O 3.3Å; E296-G300 WeakPolarHBondContact CA-O 3.32Å; E296-G300 CarbonylContact O-C 3.52Å; E296-G300 WeakPolarHBondContact O-CA 3.46Å; E296-G300 PolarHBondContact O-N 3.45Å; E296-G300 VanDerWaalsContact O-N 3.13Å; E296-M302 HydrophobicContact CG-CB 4.28Å; E296-M302 HydrophobicContact CG-CG 3.93Å; E296-M302 HydrophobicContact CG-SD 4.14Å; E296-M302 PolarHBondContact OE1-N 3.21Å
297	L	93.4	Very high	93.8	Very high	143 Å²	143	66.3 Å²	66.3	75%	0.749	33%	0.33	S	S	*	.	H	α-helix	trans	-68.5	-36.8	173.5	-179.6	66.6	0	0	0	112.2	K293 T294 K295	K293-L297 WeakPolarHBondContact O-CB 3.42Å; K293-L297 PolarHBondContact O-N 3.15Å; T294-L297 WeakPolarHBondContact O-CB 3.48Å; T294-L297 PolarHBondContact O-N 3.41Å; K295-L297 PolarHBondContact O-N 3.15Å
298	W	91.6	Very high	93.7	Very high	210 Å²	210	66.3 Å²	66.3	80%	0.795	33%	0.33	S	S	*	.	H	α-helix	trans	-87.4	-46.8	-177.6	-72.2	105.6	0	0	0	113	T294 K295	T294-W298 PolarHBondContact O-N 2.92Å; K295-W298 PolarHBondContact O-N 3.03Å; K295-W298 VanDerWaalsContact O-N 3.1Å
299	D	90.1	Very high	93.7	Very high	112 Å²	112	70 Å²	70	60%	0.599	35%	0.348	S	S	*	.	H	α-helix	trans	-102.1	-7.8	-169.8	-59.1	-21.4	0	0	0	112.9	K295	K295-D299 VanDerWaalsContact CE-OD2 3.29Å; K295-D299 WeakPolarHBondContact CE-OD2 3.49Å; K295-D299 WeakPolarHBondContact CG-OD2 3.44Å; K295-D299 IonicContact NZ-OD2 3.52Å; K295-D299 PolarHBondContact NZ-OD2 3.49Å; K295-D299 PolarHBondContact O-N 2.9Å
300	G	92	Very high	93.7	Very high	25 Å²	25	71.2 Å²	71.2	26%	0.258	35%	0.346	S	S	.	.			trans	89.3	174	-172.3	0	0	0	0	0	114.2	E296	E296-G300 VanDerWaalsContact CA-O 3.3Å; E296-G300 WeakPolarHBondContact CA-O 3.32Å; E296-G300 CarbonylContact O-C 3.52Å; E296-G300 WeakPolarHBondContact O-CA 3.46Å; E296-G300 PolarHBondContact O-N 3.45Å; E296-G300 VanDerWaalsContact O-N 3.13Å
301	P	93.3	Very high	93.7	Very high	56 Å²	56	64.4 Å²	64.4	36%	0.364	32%	0.315	S	S	.	.			trans	-61.3	145.1	-170.8	-27.7	39	0	0	0	113.6	Y187 G189	Y187-P301 HydrophobicContact CD1-CB 4.27Å; Y187-P301 HydrophobicContact CD1-CG 3.89Å; Y187-P301 VanDerWaalsContact O-CB 3.25Å; Y187-P301 WeakPolarHBondContact O-CB 3.44Å; G189-P301 WeakPolarHBondContact CA-O 3.3Å; G189-P301 PolarHBondContact N-O 2.99Å
302	M	93.6	Very high	93.9	Very high	14 Å²	14	59.6 Å²	59.6	7%	0.069	30%	0.297	C	S	.	.			trans	-105.2	144.1	175	-61.6	170.2	66.8	0	0	109.4	R186 A289 R291 K295 E296 G304	R186-M302 PolarHBondContact NH1-O 2.99Å; A289-M302 HydrophobicContact CB-CE 3.43Å; A289-M302 VanDerWaalsContact CB-CE 3.43Å; R291-M302 HydrophobicContact CG-CB 4.3Å; K295-M302 HydrophobicContact CD-SD 4.08Å; K295-M302 HydrophobicContact CG-SD 4.42Å; E296-M302 HydrophobicContact CG-CB 4.28Å; E296-M302 HydrophobicContact CG-CG 3.93Å; E296-M302 HydrophobicContact CG-SD 4.14Å; E296-M302 PolarHBondContact OE1-N 3.21Å; M302-G304 VanDerWaalsContact C-N 3.28Å; M302-G304 PolarHBondContact O-N 2.9Å
303	A	93.6	Very high	94	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.008	29%	0.294	C	S	.	.			trans	-61.7	-46.3	175.5	0	0	0	0	0	108.9	R186 L188 E268 G307 A308 L311	R186-A303 PolarHBondContact NH2-O 3.28Å; L188-A303 HydrophobicContact CB-CB 4.09Å; L188-A303 WeakPolarHBondContact O-CA 3.39Å; L188-A303 WeakPolarHBondContact O-CB 3.3Å; L188-A303 PolarHBondContact O-N 3.45Å; E268-A303 VanDerWaalsContact OE2-CB 3.24Å; E268-A303 WeakPolarHBondContact OE2-CB 3.5Å; E268-A303 PolarHBondContact OE2-N 3.27Å; A303-G307 WeakPolarHBondContact O-CA 3.39Å; A303-G307 PolarHBondContact O-N 3.42Å; A303-A308 HydrophobicContact CB-CB 4.48Å; A303-L311 HydrophobicContact CB-CD1 4.39Å
304	G	93.8	Very high	94.3	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.01	26%	0.259	C	S	.	.	H	α-helix	trans	65.5	-175.1	-172.3	0	0	0	0	0	111.3	E268 M302 D306 G307 A308	E268-G304 PolarHBondContact OE2-N 3.31Å; M302-G304 VanDerWaalsContact C-N 3.28Å; M302-G304 PolarHBondContact O-N 2.9Å; G304-D306 PolarHBondContact O-N 3.01Å; G304-G307 PolarHBondContact O-N 3.34Å; G304-A308 WeakPolarHBondContact O-CB 3.3Å; G304-A308 PolarHBondContact O-N 3.39Å
305	T	96.9	Very high	94.5	Very high	48 Å²	48	48.1 Å²	48.1	29%	0.294	25%	0.249	S	C	.	.	H	α-helix	trans	-62.2	-44.7	-173.4	55.4	0	0	0	0	112.7	V288 Q309 A317 A318 T319	V288-T305 HydrophobicContact CG2-CG2 3.96Å; T305-Q309 VanDerWaalsContact O-CB 3.3Å; T305-Q309 WeakPolarHBondContact O-CB 3.41Å; T305-Q309 PolarHBondContact O-N 3.07Å; T305-A317 WeakPolarHBondContact O-CB 3.41Å; T305-A318 VanDerWaalsContact CG2-CA 3.48Å; T305-T319 HydrophobicContact CG2-CG2 4.03Å
306	D	94.8	Very high	94.7	Very high	36 Å²	36	47.4 Å²	47.4	19%	0.193	24%	0.244	C	C	.	.	H	α-helix	trans	-65.8	-44	178.6	63.9	-37.5	0	0	0	112.7	I183 R186 G304 W310	I183-D306 HydrophobicContact CD1-CB 3.87Å; I183-D306 HydrophobicContact CG1-CB 4.31Å; R186-D306 VanDerWaalsContact NH2-CG 3.27Å; R186-D306 IonicContact NH2-OD1 3.04Å; R186-D306 PolarHBondContact NH2-OD1 3.42Å; R186-D306 IonicContact NH2-OD2 3.74Å; R186-D306 PolarHBondContact NH2-OD2 3.12Å; G304-D306 PolarHBondContact O-N 3.01Å; D306-W310 VanDerWaalsContact O-CB 3.3Å; D306-W310 WeakPolarHBondContact O-CB 3.3Å; D306-W310 PolarHBondContact O-N 3.35Å
307	G	95.4	Very high	94.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-69	-44.1	177.8	0	0	0	0	0	112.7	A303 G304 W310 L311	A303-G307 WeakPolarHBondContact O-CA 3.39Å; A303-G307 PolarHBondContact O-N 3.42Å; G304-G307 PolarHBondContact O-N 3.34Å; G307-W310 PolarHBondContact O-N 2.61Å; G307-L311 WeakPolarHBondContact O-CB 3.4Å; G307-L311 WeakPolarHBondContact O-CG 3.49Å; G307-L311 PolarHBondContact O-N 2.84Å
308	A	97	Very high	95.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63	-44.3	178.1	0	0	0	0	0	111.2	L266 I286 V288 A303 G304 W310 T312	L266-A308 HydrophobicContact CD1-CB 4.45Å; L266-A308 HydrophobicContact CD2-CB 4.27Å; I286-A308 HydrophobicContact CG2-CB 3.97Å; V288-A308 HydrophobicContact CG1-CB 3.89Å; A303-A308 HydrophobicContact CB-CB 4.48Å; G304-A308 WeakPolarHBondContact O-CB 3.3Å; G304-A308 PolarHBondContact O-N 3.39Å; A308-W310 PolarHBondContact O-N 2.98Å; A308-T312 WeakPolarHBondContact O-CB 3.28Å; A308-T312 WeakPolarHBondContact O-CG2 3.35Å; A308-T312 PolarHBondContact O-N 2.94Å; A308-T312 PolarHBondContact O-OG1 3.15Å
309	Q	96.9	Very high	95.5	Very high	78 Å²	78	32.1 Å²	32.1	36%	0.364	19%	0.186	S	C	.	.	H	α-helix	trans	-61.8	-44.1	174.5	-170.3	178.6	5.9	0	0	111.5	T305 G313 V314 D315 A317	T305-Q309 VanDerWaalsContact O-CB 3.3Å; T305-Q309 WeakPolarHBondContact O-CB 3.41Å; T305-Q309 PolarHBondContact O-N 3.07Å; Q309-G313 PolarHBondContact O-N 2.99Å; Q309-V314 HydrophobicContact CG-CG2 4.36Å; Q309-D315 PolarHBondContact NE2-O 3.12Å; Q309-A317 HydrophobicContact CB-CB 3.98Å
310	W	95	Very high	95.8	Very high	53 Å²	53	28.9 Å²	28.9	20%	0.201	17%	0.167	C	C	.	.	H	α-helix	trans	-64.6	-44.7	179.9	-179.3	86.4	0	0	0	112.6	I183 A184 L188 K211 D306 G307 A308	I183-W310 HydrophobicContact CG2-CB 3.75Å; I183-W310 HydrophobicContact CG2-CD2 4.17Å; I183-W310 HydrophobicContact CG2-CG 3.8Å; A184-W310 HydrophobicContact CB-CZ2 3.92Å; L188-W310 HydrophobicContact CD1-CE3 3.58Å; L188-W310 HydrophobicContact CD1-CZ3 3.9Å; K211-W310 VanDerWaalsContact CE-O 3.26Å; K211-W310 WeakPolarHBondContact CE-O 3.5Å; K211-W310 PolarHBondContact NZ-O 2.99Å; D306-W310 VanDerWaalsContact O-CB 3.3Å; D306-W310 WeakPolarHBondContact O-CB 3.3Å; D306-W310 PolarHBondContact O-N 3.35Å; G307-W310 PolarHBondContact O-N 2.61Å; A308-W310 PolarHBondContact O-N 2.98Å
311	L	95.1	Very high	96.1	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.016	19%	0.187	C	C	.	.	H	α-helix	trans	-65.4	-55.3	179.3	-77.7	168.7	0	0	0	111.4	L188 Q190 V205 K211 L266 A303 G307	L188-L311 HydrophobicContact CB-CD1 3.94Å; L188-L311 HydrophobicContact CD1-CD1 3.83Å; L188-L311 HydrophobicContact CD1-CD2 4.12Å; L188-L311 HydrophobicContact CD1-CG 3.69Å; Q190-L311 HydrophobicContact CG-CD1 3.88Å; V205-L311 HydrophobicContact CG1-CB 4.31Å; V205-L311 WeakPolarHBondContact CG2-O 3.4Å; K211-L311 WeakPolarHBondContact CE-O 3.36Å; L266-L311 HydrophobicContact CD1-CD1 4.03Å; A303-L311 HydrophobicContact CB-CD1 4.39Å; G307-L311 WeakPolarHBondContact O-CB 3.4Å; G307-L311 WeakPolarHBondContact O-CG 3.49Å; G307-L311 PolarHBondContact O-N 2.84Å
312	T	96.3	Very high	96.3	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-83.3	-20.1	-166.6	63.2	0	0	0	0	114	R218 T264 L266 I286 A308 V314	R218-T312 PolarHBondContact NH1-O 2.89Å; R218-T312 VanDerWaalsContact NH1-O 3.11Å; R218-T312 PolarHBondContact NH2-O 2.97Å; T264-T312 WeakPolarHBondContact O-CG2 3.26Å; L266-T312 HydrophobicContact CB-CG2 3.9Å; L266-T312 HydrophobicContact CD1-CG2 4.28Å; L266-T312 HydrophobicContact CG-CG2 4.46Å; I286-T312 HydrophobicContact CD1-CG2 4.22Å; A308-T312 WeakPolarHBondContact O-CB 3.28Å; A308-T312 WeakPolarHBondContact O-CG2 3.35Å; A308-T312 PolarHBondContact O-N 2.94Å; A308-T312 PolarHBondContact O-OG1 3.15Å; T312-V314 VanDerWaalsContact C-N 3.28Å; T312-V314 PolarHBondContact O-N 3.32Å; T312-V314 WeakPolarHBondContact OG1-CG1 3.46Å; T312-V314 WeakPolarHBondContact OG1-CG2 3.24Å; T312-V314 PolarHBondContact OG1-N 3.45Å
313	G	95.6	Very high	96.5	Very high	37 Å²	37	30.5 Å²	30.5	38%	0.381	18%	0.177	S	C	.	.			trans	66.8	25.9	-174.7	0	0	0	0	0	113.9	R218 Q309	R218-G313 PolarHBondContact NH2-O 2.85Å; Q309-G313 PolarHBondContact O-N 2.99Å
314	V	98	Very high	96.7	Very high	6 Å²	6	33 Å²	33	4%	0.036	19%	0.191	C	C	.	.			trans	-68.5	158.2	170.7	-63.9	0	0	0	0	111.2	L273 A284 I286 Q309 T312 W316	L273-V314 HydrophobicContact CD1-CG1 4.01Å; A284-V314 HydrophobicContact CB-CB 4.02Å; A284-V314 HydrophobicContact CB-CG1 3.89Å; I286-V314 HydrophobicContact CB-CG1 4.49Å; I286-V314 HydrophobicContact CB-CG2 4.18Å; I286-V314 HydrophobicContact CG2-CG2 3.68Å; Q309-V314 HydrophobicContact CG-CG2 4.36Å; T312-V314 VanDerWaalsContact C-N 3.28Å; T312-V314 PolarHBondContact O-N 3.32Å; T312-V314 WeakPolarHBondContact OG1-CG1 3.46Å; T312-V314 WeakPolarHBondContact OG1-CG2 3.24Å; T312-V314 PolarHBondContact OG1-N 3.45Å; V314-W316 VanDerWaalsContact C-N 3.3Å; V314-W316 WeakPolarHBondContact CG2-O 3.35Å; V314-W316 PolarHBondContact O-N 3.01Å
315	D	97.6	Very high	96.9	Very high	70 Å²	70	40.2 Å²	40.2	37%	0.374	23%	0.225	S	C	.	.	S	Bend	trans	-61.7	-39.4	-178	-67	-96.6	0	0	0	111.9	K283 A284 Q309	K283-D315 WeakPolarHBondContact CA-OD2 3.31Å; K283-D315 HydrophobicContact CD-CB 4.09Å; K283-D315 WeakPolarHBondContact CD-OD1 3.48Å; K283-D315 IonicContact NZ-OD1 2.79Å; K283-D315 PolarHBondContact NZ-OD1 3.36Å; A284-D315 PolarHBondContact N-OD2 2.77Å; A284-D315 WeakPolarHBondContact O-CB 3.39Å; A284-D315 PolarHBondContact O-N 2.92Å; Q309-D315 PolarHBondContact NE2-O 3.12Å
316	W	95.4	Very high	96.9	Very high	70 Å²	70	39.6 Å²	39.6	27%	0.265	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	163.9	173.4	61.6	-81.6	0	0	0	111.8	Y276 A284 A285 I286 F287 V314 A318 F326	Y276-W316 HydrophobicContact CE1-CZ2 4.38Å; Y276-W316 AromaticContact CE1-NE1 3.97Å; Y276-W316 AromaticContact CZ-NE1 3.81Å; Y276-W316 PolarHBondContact OH-NE1 3.07Å; A284-W316 PolarHBondContact O-N 2.8Å; A285-W316 WeakPolarHBondContact CA-O 3.23Å; A285-W316 HydrophobicContact CB-CD2 4.05Å; A285-W316 HydrophobicContact CB-CE3 4.48Å; A285-W316 HydrophobicContact CB-CH2 3.82Å; A285-W316 HydrophobicContact CB-CZ2 3.24Å; A285-W316 HydrophobicContact CB-CZ3 4.39Å; I286-W316 PolarHBondContact N-O 3.17Å; F287-W316 HydrophobicContact CE1-CH2 4Å; F287-W316 HydrophobicContact CE1-CZ3 4.19Å; F287-W316 HydrophobicContact CE2-CH2 4.26Å; F287-W316 AromaticContact CZ-CH2 3.49Å; F287-W316 HydrophobicContact CZ-CH2 3.49Å; F287-W316 VanDerWaalsContact CZ-CH2 3.49Å; F287-W316 HydrophobicContact CZ-CZ2 4.36Å; F287-W316 HydrophobicContact CZ-CZ3 4.06Å; V314-W316 VanDerWaalsContact C-N 3.3Å; V314-W316 WeakPolarHBondContact CG2-O 3.35Å; V314-W316 PolarHBondContact O-N 3.01Å; W316-A318 HydrophobicContact CE3-CB 3.98Å; W316-A318 HydrophobicContact CZ3-CB 3.48Å; W316-A318 VanDerWaalsContact CZ3-CB 3.48Å; W316-F326 AromaticContact CH2-CD2 3.43Å; W316-F326 HydrophobicContact CH2-CD2 3.43Å; W316-F326 VanDerWaalsContact CH2-CD2 3.43Å; W316-F326 AromaticContact CH2-CE2 3.66Å; W316-F326 HydrophobicContact CH2-CE2 3.66Å; W316-F326 AromaticContact CH2-CG 3.97Å; W316-F326 HydrophobicContact CH2-CG 3.97Å; W316-F326 HydrophobicContact CH2-CZ 4.3Å; W316-F326 AromaticContact CZ2-CD2 3.54Å; W316-F326 HydrophobicContact CZ2-CD2 3.54Å; W316-F326 AromaticContact CZ2-CE2 3.22Å; W316-F326 HydrophobicContact CZ2-CE2 3.22Å; W316-F326 HydrophobicContact CZ2-CG 4.37Å; W316-F326 AromaticContact CZ2-CZ 3.78Å; W316-F326 HydrophobicContact CZ2-CZ 3.78Å
317	A	98.1	Very high	97.1	Very high	17 Å²	17	37.9 Å²	37.9	14%	0.14	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	146.1	177.6	0	0	0	0	0	110.7	I286 T305 Q309	I286-A317 HydrophobicContact CG2-CB 3.54Å; I286-A317 CarbonylContact O-C 3.55Å; I286-A317 WeakPolarHBondContact O-CA 3.25Å; T305-A317 WeakPolarHBondContact O-CB 3.41Å; Q309-A317 HydrophobicContact CB-CB 3.98Å
318	A	98.1	Very high	97.1	Very high	17 Å²	17	43 Å²	43	14%	0.14	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	176.9	174.3	0	0	0	0	0	112.3	I286 F287 V288 T305 W316 S322	I286-A318 PolarHBondContact O-N 2.79Å; F287-A318 VanDerWaalsContact CA-O 3.27Å; F287-A318 WeakPolarHBondContact CA-O 3.4Å; F287-A318 HydrophobicContact CD1-CB 4.31Å; F287-A318 HydrophobicContact CE1-CB 4.26Å; V288-A318 PolarHBondContact N-O 2.95Å; T305-A318 VanDerWaalsContact CG2-CA 3.48Å; W316-A318 HydrophobicContact CE3-CB 3.98Å; W316-A318 HydrophobicContact CZ3-CB 3.48Å; W316-A318 VanDerWaalsContact CZ3-CB 3.48Å; A318-S322 VanDerWaalsContact CB-OG 3.22Å; A318-S322 WeakPolarHBondContact CB-OG 3.42Å
319	T	98.2	Very high	97.1	Very high	31 Å²	31	44.4 Å²	44.4	19%	0.19	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	156	179.7	52.3	0	0	0	0	111.3	V288 E290 T305 S321 S322	V288-T319 CarbonylContact O-C 3.57Å; V288-T319 VanDerWaalsContact O-CA 3.24Å; V288-T319 WeakPolarHBondContact O-CA 3.27Å; E290-T319 HydrophobicContact CB-CG2 3.9Å; E290-T319 HydrophobicContact CG-CG2 4.27Å; T305-T319 HydrophobicContact CG2-CG2 4.03Å; T319-S321 PolarHBondContact O-N 3.49Å; T319-S321 PolarHBondContact OG1-OG 2.96Å; T319-S322 PolarHBondContact O-N 3.17Å; T319-S322 PolarHBondContact O-OG 2.98Å
320	H	97.9	Very high	97	Very high	44 Å²	44	41.5 Å²	41.5	20%	0.204	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-50.9	-30.3	173.6	-68.7	-53.4	0	0	0	114.2	A270 F287 V288 A289 S322 I323 S354	A270-H320 PolarHBondContact O-CE1 3.21Å; A270-H320 PolarHBondContact O-NE2 3.13Å; F287-H320 PolarHBondContact O-CE1 2.88Å; V288-H320 VanDerWaalsContact C-CD2 3.45Å; V288-H320 PolarHBondContact O-CD2 3.39Å; V288-H320 VanDerWaalsContact O-CD2 3.3Å; V288-H320 PolarHBondContact O-N 3.36Å; A289-H320 PolarHBondContact N-NE2 3.26Å; H320-S322 PolarHBondContact O-N 3.3Å; H320-I323 WeakPolarHBondContact O-CB 3.43Å; H320-I323 WeakPolarHBondContact O-CG2 3.24Å; H320-I323 PolarHBondContact O-N 3.19Å; H320-S354 WeakPolarHBondContact CB-OG 3.33Å; H320-S354 PolarHBondContact ND1-OG 3.24Å
321	S	97.1	Very high	96.9	Very high	98 Å²	98	40.1 Å²	40.1	69%	0.685	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-61.2	-25.3	177.1	50.1	0	0	0	0	114.1	T319	T319-S321 PolarHBondContact O-N 3.49Å; T319-S321 PolarHBondContact OG1-OG 2.96Å
322	S	97.7	Very high	96.8	Very high	27 Å²	27	44.6 Å²	44.6	19%	0.189	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-88.1	-2.6	179.3	66.8	0	0	0	0	114.1	F287 A318 T319 H320 V324 F326	F287-S322 WeakPolarHBondContact CE1-OG 3.23Å; A318-S322 VanDerWaalsContact CB-OG 3.22Å; A318-S322 WeakPolarHBondContact CB-OG 3.42Å; T319-S322 PolarHBondContact O-N 3.17Å; T319-S322 PolarHBondContact O-OG 2.98Å; H320-S322 PolarHBondContact O-N 3.3Å; S322-V324 PolarHBondContact O-N 3.44Å; S322-F326 VanDerWaalsContact O-CB 3.3Å; S322-F326 WeakPolarHBondContact O-CB 3.26Å; S322-F326 PolarHBondContact O-N 3Å
323	I	97.7	Very high	96.6	Very high	4 Å²	4	49.6 Å²	49.6	2%	0.021	29%	0.293	C	S	.	.	H	α-helix	trans	-64.1	-42.8	-170.4	-167.5	64	0	0	0	112.8	L272 I274 F287 H320 F326 V327 L357 S358	L272-I323 HydrophobicContact CD2-CD1 3.79Å; L272-I323 HydrophobicContact CD2-CG1 4.38Å; I274-I323 HydrophobicContact CD1-CD1 3.81Å; F287-I323 HydrophobicContact CD1-CB 4.35Å; F287-I323 HydrophobicContact CD1-CD1 3.78Å; F287-I323 HydrophobicContact CD2-CD1 3.7Å; F287-I323 HydrophobicContact CE1-CD1 3.81Å; F287-I323 HydrophobicContact CE2-CD1 3.76Å; F287-I323 HydrophobicContact CG-CD1 3.72Å; F287-I323 HydrophobicContact CZ-CD1 3.8Å; H320-I323 WeakPolarHBondContact O-CB 3.43Å; H320-I323 WeakPolarHBondContact O-CG2 3.24Å; H320-I323 PolarHBondContact O-N 3.19Å; I323-F326 PolarHBondContact O-N 3.05Å; I323-V327 HydrophobicContact CD1-CG2 4.09Å; I323-V327 HydrophobicContact CG1-CG2 4.29Å; I323-V327 WeakPolarHBondContact O-CG2 3.49Å; I323-V327 PolarHBondContact O-N 3.25Å; I323-L357 HydrophobicContact CG2-CD1 4.42Å; I323-S358 WeakPolarHBondContact CG1-OG 3.03Å
324	V	98	Very high	96.2	Very high	52 Å²	52	48.5 Å²	48.5	32%	0.315	28%	0.279	S	S	.	.	H	α-helix	trans	-65.6	-49.8	-176.3	175.2	0	0	0	0	109.8	S322 F326 V327 Q328 L357 I361	S322-V324 PolarHBondContact O-N 3.44Å; V324-F326 VanDerWaalsContact C-N 3.3Å; V324-F326 PolarHBondContact O-N 3.22Å; V324-V327 PolarHBondContact O-N 3.33Å; V324-Q328 HydrophobicContact CG1-CG 4.31Å; V324-Q328 VanDerWaalsContact O-CB 3.25Å; V324-Q328 WeakPolarHBondContact O-CB 3.12Å; V324-Q328 VanDerWaalsContact O-CG 3.24Å; V324-Q328 WeakPolarHBondContact O-CG 3.29Å; V324-Q328 PolarHBondContact O-N 3.08Å; V324-L357 HydrophobicContact CG2-CD1 4.14Å; V324-I361 HydrophobicContact CB-CD1 4.39Å; V324-I361 HydrophobicContact CG1-CD1 4.16Å; V324-I361 HydrophobicContact CG2-CD1 4.39Å
325	E	97.9	Very high	95.7	Very high	154 Å²	154	52.3 Å²	52.3	72%	0.72	30%	0.3	S	S	*	.	H	α-helix	trans	-58.4	-43.2	175.9	-177.2	-178.7	-174.1	0	0	111.2	G329	E325-G329 WeakPolarHBondContact O-CA 3.22Å; E325-G329 PolarHBondContact O-N 3.1Å
326	F	98	Very high	95.1	Very high	35 Å²	35	50.9 Å²	50.9	15%	0.154	29%	0.294	C	S	.	.	H	α-helix	trans	-63	-52.1	179.8	175	-101.7	0	0	0	112.8	I274 Y276 F287 W316 S322 I323 V324 G329 Y330	I274-F326 HydrophobicContact CB-CE1 4.49Å; I274-F326 HydrophobicContact CD1-CD1 4.14Å; I274-F326 HydrophobicContact CD1-CE1 3.94Å; I274-F326 HydrophobicContact CG2-CE1 4.16Å; Y276-F326 AromaticContact CD1-CZ 3.82Å; Y276-F326 HydrophobicContact CD1-CZ 3.82Å; Y276-F326 HydrophobicContact CD2-CZ 4.01Å; Y276-F326 HydrophobicContact CE1-CE2 4.25Å; Y276-F326 AromaticContact CE1-CZ 3.68Å; Y276-F326 HydrophobicContact CE1-CZ 3.68Å; Y276-F326 HydrophobicContact CE2-CE2 4.07Å; Y276-F326 AromaticContact CE2-CZ 3.86Å; Y276-F326 HydrophobicContact CE2-CZ 3.86Å; Y276-F326 AromaticContact CG-CZ 3.99Å; Y276-F326 HydrophobicContact CG-CZ 3.99Å; Y276-F326 AromaticContact CZ-CE2 3.87Å; Y276-F326 AromaticContact CZ-CZ 3.69Å; F287-F326 HydrophobicContact CE1-CB 4.06Å; F287-F326 HydrophobicContact CE1-CD1 4.37Å; F287-F326 HydrophobicContact CE1-CG 4.23Å; F287-F326 AromaticContact CE2-CD1 3.92Å; F287-F326 HydrophobicContact CE2-CD1 3.92Å; F287-F326 HydrophobicContact CE2-CE1 4.15Å; F287-F326 HydrophobicContact CE2-CG 4.45Å; F287-F326 HydrophobicContact CZ-CB 3.84Å; F287-F326 AromaticContact CZ-CD1 3.38Å; F287-F326 HydrophobicContact CZ-CD1 3.38Å; F287-F326 HydrophobicContact CZ-CD2 4.23Å; F287-F326 AromaticContact CZ-CE1 3.97Å; F287-F326 HydrophobicContact CZ-CE1 3.97Å; F287-F326 AromaticContact CZ-CG 3.51Å; F287-F326 HydrophobicContact CZ-CG 3.51Å; W316-F326 AromaticContact CH2-CD2 3.43Å; W316-F326 HydrophobicContact CH2-CD2 3.43Å; W316-F326 VanDerWaalsContact CH2-CD2 3.43Å; W316-F326 AromaticContact CH2-CE2 3.66Å; W316-F326 HydrophobicContact CH2-CE2 3.66Å; W316-F326 AromaticContact CH2-CG 3.97Å; W316-F326 HydrophobicContact CH2-CG 3.97Å; W316-F326 HydrophobicContact CH2-CZ 4.3Å; W316-F326 AromaticContact CZ2-CD2 3.54Å; W316-F326 HydrophobicContact CZ2-CD2 3.54Å; W316-F326 AromaticContact CZ2-CE2 3.22Å; W316-F326 HydrophobicContact CZ2-CE2 3.22Å; W316-F326 HydrophobicContact CZ2-CG 4.37Å; W316-F326 AromaticContact CZ2-CZ 3.78Å; W316-F326 HydrophobicContact CZ2-CZ 3.78Å; S322-F326 VanDerWaalsContact O-CB 3.3Å; S322-F326 WeakPolarHBondContact O-CB 3.26Å; S322-F326 PolarHBondContact O-N 3Å; I323-F326 PolarHBondContact O-N 3.05Å; V324-F326 VanDerWaalsContact C-N 3.3Å; V324-F326 PolarHBondContact O-N 3.22Å; F326-G329 PolarHBondContact O-N 2.51Å; F326-Y330 PolarHBondContact O-N 2.96Å
327	V	97.6	Very high	94.6	Very high	0 Å²	0	56 Å²	56	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-69.8	-41.6	-176.2	-178.2	0	0	0	0	110.6	I274 I323 V324 G329 Y330 V331 I361 L362	I274-V327 HydrophobicContact CD1-CG2 4.2Å; I323-V327 HydrophobicContact CD1-CG2 4.09Å; I323-V327 HydrophobicContact CG1-CG2 4.29Å; I323-V327 WeakPolarHBondContact O-CG2 3.49Å; I323-V327 PolarHBondContact O-N 3.25Å; V324-V327 PolarHBondContact O-N 3.33Å; V327-G329 VanDerWaalsContact C-N 3.33Å; V327-G329 PolarHBondContact O-N 3.36Å; V327-Y330 PolarHBondContact O-N 3.28Å; V327-V331 HydrophobicContact CG1-CG2 4.43Å; V327-V331 WeakPolarHBondContact O-CB 3.32Å; V327-V331 VanDerWaalsContact O-CG2 3.29Å; V327-V331 WeakPolarHBondContact O-CG2 3.42Å; V327-V331 PolarHBondContact O-N 3.19Å; V327-I361 HydrophobicContact CB-CD1 4.19Å; V327-I361 HydrophobicContact CB-CG2 4.26Å; V327-I361 HydrophobicContact CG1-CB 3.97Å; V327-I361 HydrophobicContact CG1-CD1 4.46Å; V327-I361 HydrophobicContact CG1-CG2 3.65Å; V327-L362 HydrophobicContact CG1-CD2 4.09Å; V327-L362 HydrophobicContact CG1-CG 4.14Å
328	Q	97.1	Very high	94.2	Very high	106 Å²	106	56.4 Å²	56.4	50%	0.495	32%	0.323	S	S	.	.	H	α-helix	trans	-62.2	-41.8	173.9	-71.7	176.3	-15.5	0	0	111.5	V324 V331 S332 I361	V324-Q328 HydrophobicContact CG1-CG 4.31Å; V324-Q328 VanDerWaalsContact O-CB 3.25Å; V324-Q328 WeakPolarHBondContact O-CB 3.12Å; V324-Q328 VanDerWaalsContact O-CG 3.24Å; V324-Q328 WeakPolarHBondContact O-CG 3.29Å; V324-Q328 PolarHBondContact O-N 3.08Å; Q328-V331 PolarHBondContact O-N 3.06Å; Q328-S332 WeakPolarHBondContact O-CB 3.35Å; Q328-S332 PolarHBondContact O-N 3.01Å; Q328-I361 HydrophobicContact CG-CD1 4.21Å; Q328-I361 HydrophobicContact CG-CG1 4.43Å; Q328-I361 HydrophobicContact CG-CG2 3.86Å
329	G	96	Very high	93.9	Very high	30 Å²	30	56.1 Å²	56.1	31%	0.309	32%	0.319	S	S	.	.	H	α-helix	trans	-57.3	-51.1	173.6	0	0	0	0	0	111.5	E325 F326 V327 V331 S332 T333	E325-G329 WeakPolarHBondContact O-CA 3.22Å; E325-G329 PolarHBondContact O-N 3.1Å; F326-G329 PolarHBondContact O-N 2.51Å; V327-G329 VanDerWaalsContact C-N 3.33Å; V327-G329 PolarHBondContact O-N 3.36Å; G329-V331 PolarHBondContact O-N 2.62Å; G329-S332 PolarHBondContact O-N 2.77Å; G329-S332 PolarHBondContact O-OG 3.46Å; G329-T333 WeakPolarHBondContact O-CG2 3.27Å; G329-T333 PolarHBondContact O-N 3.09Å
330	Y	94.4	Very high	93.7	Very high	17 Å²	17	54.9 Å²	54.9	7%	0.067	31%	0.312	C	S	.	.	H	α-helix	trans	-59.2	-49.1	176.9	-178.3	-102.4	0	0	0	112.4	Q234 I235 Y276 G277 F326 V327 S332 T333 C334 T339	Q234-Y330 PolarHBondContact N-OH 2.86Å; Q234-Y330 PolarHBondContact O-OH 2.9Å; I235-Y330 HydrophobicContact CB-CD1 4.3Å; I235-Y330 HydrophobicContact CB-CE1 3.75Å; I235-Y330 HydrophobicContact CD1-CD1 3.92Å; I235-Y330 HydrophobicContact CD1-CE1 4.25Å; I235-Y330 HydrophobicContact CG2-CE1 4.14Å; Y276-Y330 AromaticContact CD2-CD2 3.67Å; Y276-Y330 HydrophobicContact CD2-CD2 3.67Å; Y276-Y330 AromaticContact CD2-CE2 3.74Å; Y276-Y330 HydrophobicContact CD2-CE2 3.74Å; Y276-Y330 HydrophobicContact CE2-CD2 4.44Å; Y276-Y330 HydrophobicContact CG-CD2 4.49Å; Y276-Y330 HydrophobicContact CG-CE2 4.43Å; G277-Y330 PolarHBondContact O-OH 2.67Å; F326-Y330 PolarHBondContact O-N 2.96Å; V327-Y330 PolarHBondContact O-N 3.28Å; Y330-S332 VanDerWaalsContact C-N 3.28Å; Y330-S332 PolarHBondContact O-N 2.95Å; Y330-T333 PolarHBondContact O-N 3.31Å; Y330-T333 VanDerWaalsContact O-N 3.11Å; Y330-T333 PolarHBondContact O-OG1 2.59Å; Y330-C334 PolarHBondContact O-N 3.34Å; Y330-C334 PolarHBondContact O-SG 2.91Å; Y330-T339 HydrophobicContact CE1-CG2 4.2Å
331	V	93.7	Very high	93.6	Very high	24 Å²	24	52.8 Å²	52.8	15%	0.145	30%	0.302	C	S	.	.	H	α-helix	trans	-56.4	-42.6	176.9	166.7	0	0	0	0	111.2	V327 Q328 G329 T333 C334 I361 L362 A365 M367	V327-V331 HydrophobicContact CG1-CG2 4.43Å; V327-V331 WeakPolarHBondContact O-CB 3.32Å; V327-V331 VanDerWaalsContact O-CG2 3.29Å; V327-V331 WeakPolarHBondContact O-CG2 3.42Å; V327-V331 PolarHBondContact O-N 3.19Å; Q328-V331 PolarHBondContact O-N 3.06Å; G329-V331 PolarHBondContact O-N 2.62Å; V331-T333 PolarHBondContact O-N 3.41Å; V331-C334 PolarHBondContact O-N 2.85Å; V331-C334 VanDerWaalsContact O-N 3.16Å; V331-I361 HydrophobicContact CG2-CG2 4.37Å; V331-L362 HydrophobicContact CG2-CD2 3.77Å; V331-A365 HydrophobicContact CG1-CB 3.46Å; V331-A365 VanDerWaalsContact CG1-CB 3.46Å; V331-A365 HydrophobicContact CG2-CB 4.28Å; V331-M367 HydrophobicContact CG1-CE 4.39Å; V331-M367 HydrophobicContact CG2-CE 4.07Å
332	S	93.6	Very high	93.6	Very high	98 Å²	98	48.5 Å²	48.5	69%	0.685	27%	0.271	S	S	*	.	H	α-helix	trans	-64.5	-24.3	-179.3	76.2	0	0	0	0	114	Q328 G329 Y330	Q328-S332 WeakPolarHBondContact O-CB 3.35Å; Q328-S332 PolarHBondContact O-N 3.01Å; G329-S332 PolarHBondContact O-N 2.77Å; G329-S332 PolarHBondContact O-OG 3.46Å; Y330-S332 VanDerWaalsContact C-N 3.28Å; Y330-S332 PolarHBondContact O-N 2.95Å
333	T	90.5	Very high	93.5	Very high	105 Å²	105	47.3 Å²	47.3	64%	0.644	26%	0.263	S	S	*	.	H	α-helix	trans	-88.3	-14	178.6	64	0	0	0	0	113.5	G329 Y330 V331	G329-T333 WeakPolarHBondContact O-CG2 3.27Å; G329-T333 PolarHBondContact O-N 3.09Å; Y330-T333 PolarHBondContact O-N 3.31Å; Y330-T333 VanDerWaalsContact O-N 3.11Å; Y330-T333 PolarHBondContact O-OG1 2.59Å; V331-T333 PolarHBondContact O-N 3.41Å
334	C	88.1	Confident	93.3	Very high	13 Å²	13	47.2 Å²	47.2	9%	0.088	26%	0.262	C	S	.	.	S	Bend	trans	-114	146	-172.1	-65	0	0	0	0	111	Y330 V331 P336 T339	Y330-C334 PolarHBondContact O-N 3.34Å; Y330-C334 PolarHBondContact O-SG 2.91Å; V331-C334 PolarHBondContact O-N 2.85Å; V331-C334 VanDerWaalsContact O-N 3.16Å; C334-P336 WeakPolarHBondContact O-CD 3.4Å; C334-T339 HydrophobicContact CB-CG2 4.49Å; C334-T339 WeakPolarHBondContact CB-OG1 3.26Å
335	N	87.2	Confident	92.9	Very high	86 Å²	86	48.1 Å²	48.1	46%	0.46	26%	0.26	S	S	.	.			trans	-79.3	122.9	165.7	-178.7	-20.5	0	0	0	108.8	H337 S338 T339	N335-H337 PolarHBondContact O-N 2.92Å; N335-H337 WeakPolarHBondContact OD1-CB 3.45Å; N335-H337 PolarHBondContact OD1-N 2.81Å; N335-S338 CarbonylContact O-C 3.58Å; N335-S338 PolarHBondContact O-N 2.86Å; N335-S338 PolarHBondContact O-OG 3.39Å; N335-T339 WeakPolarHBondContact O-CB 3.45Å; N335-T339 PolarHBondContact O-N 3.29Å; N335-T339 PolarHBondContact O-OG1 3.17Å
336	P	85	Confident	92.2	Very high	41 Å²	41	47.1 Å²	47.1	27%	0.266	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-52.8	-36.9	177.4	-27.8	35.9	0	0	0	113.9	C334 S338 T339 A365 M367	C334-P336 WeakPolarHBondContact O-CD 3.4Å; P336-S338 PolarHBondContact O-N 2.99Å; P336-T339 PolarHBondContact O-N 3.03Å; P336-A365 WeakPolarHBondContact CB-O 3.38Å; P336-A365 VanDerWaalsContact CG-O 3.3Å; P336-A365 WeakPolarHBondContact CG-O 3.45Å; P336-M367 HydrophobicContact CB-CE 4.23Å; P336-M367 HydrophobicContact CB-CG 4.01Å; P336-M367 HydrophobicContact CG-CE 4.28Å
337	H	85.3	Confident	91.7	Very high	176 Å²	176	48.5 Å²	48.5	82%	0.815	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-71.3	-15.8	179.1	-60.8	-58.7	0	0	0	114.2	N335	N335-H337 PolarHBondContact O-N 2.92Å; N335-H337 WeakPolarHBondContact OD1-CB 3.45Å; N335-H337 PolarHBondContact OD1-N 2.81Å
338	S	88.9	Confident	91.1	Very high	27 Å²	27	53.6 Å²	53.6	19%	0.189	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-115.3	22.6	175.8	74.9	0	0	0	0	112.3	K232 N233 N335 P336	K232-S338 PolarHBondContact N-O 3.35Å; K232-S338 VanDerWaalsContact N-O 3.11Å; N233-S338 PolarHBondContact N-O 2.97Å; N335-S338 CarbonylContact O-C 3.58Å; N335-S338 PolarHBondContact O-N 2.86Å; N335-S338 PolarHBondContact O-OG 3.39Å; P336-S338 PolarHBondContact O-N 2.99Å
339	T	92.4	Very high	90.5	Very high	11 Å²	11	53.5 Å²	53.5	7%	0.067	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	129	-177.7	-53.1	0	0	0	0	109.9	N233 Y330 C334 N335 P336 M367	N233-T339 HydrophobicContact CB-CG2 3.95Å; N233-T339 CarbonylContact O-C 3.56Å; N233-T339 VanDerWaalsContact O-CA 3.31Å; N233-T339 WeakPolarHBondContact O-CA 3.33Å; Y330-T339 HydrophobicContact CE1-CG2 4.2Å; C334-T339 HydrophobicContact CB-CG2 4.49Å; C334-T339 WeakPolarHBondContact CB-OG1 3.26Å; N335-T339 WeakPolarHBondContact O-CB 3.45Å; N335-T339 PolarHBondContact O-N 3.29Å; N335-T339 PolarHBondContact O-OG1 3.17Å; P336-T339 PolarHBondContact O-N 3.03Å; T339-M367 HydrophobicContact CG2-CE 3.79Å; T339-M367 HydrophobicContact CG2-SD 3.87Å
340	S	94.1	Very high	89.9	Confident	4 Å²	4	58.1 Å²	58.1	3%	0.028	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	129.7	174.7	59	0	0	0	0	109.5	S229 V231 N233 Q234 I235 W342	S229-S340 VanDerWaalsContact OG-CB 3.28Å; S229-S340 WeakPolarHBondContact OG-CB 3.45Å; S229-S340 PolarHBondContact OG-OG 3.46Å; V231-S340 VanDerWaalsContact CG2-OG 3.29Å; V231-S340 WeakPolarHBondContact CG2-OG 3.27Å; N233-S340 PolarHBondContact O-N 2.87Å; N233-S340 PolarHBondContact O-OG 3.03Å; Q234-S340 CarbonylContact C-O 3.53Å; Q234-S340 VanDerWaalsContact CA-O 3.28Å; Q234-S340 WeakPolarHBondContact CA-O 3.5Å; Q234-S340 WeakPolarHBondContact CB-OG 3.49Å; Q234-S340 WeakPolarHBondContact CG-OG 3.33Å; Q234-S340 PolarHBondContact NE2-OG 2.91Å; Q234-S340 VanDerWaalsContact NE2-OG 3.13Å; I235-S340 PolarHBondContact N-O 3.37Å; S340-W342 PolarHBondContact OG-NE1 2.85Å
341	A	95.8	Very high	89.5	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.008	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	134.4	173.6	0	0	0	0	0	109.2	I235 L362 M367 V369 Q370	I235-A341 HydrophobicContact CG2-CB 3.96Å; I235-A341 CarbonylContact O-C 3.54Å; I235-A341 WeakPolarHBondContact O-CA 3.5Å; A341-L362 HydrophobicContact CB-CD1 4.11Å; A341-M367 HydrophobicContact CB-CB 4.12Å; A341-V369 HydrophobicContact CB-CB 4.47Å; A341-V369 HydrophobicContact CB-CG2 4Å; A341-V369 CarbonylContact O-C 3.56Å; A341-V369 WeakPolarHBondContact O-CA 3.35Å; A341-Q370 PolarHBondContact O-N 2.61Å
342	W	96.4	Very high	89.4	Confident	8 Å²	8	57.8 Å²	57.8	3%	0.03	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	150.8	-178.3	-66.2	80.5	0	0	0	110.8	C225 H228 S229 I235 I236 L237 S340 Q370 S371	C225-W342 HydrophobicContact CB-CD2 4.09Å; C225-W342 HydrophobicContact CB-CG 4.38Å; C225-W342 HydrophobicContact CB-CZ2 4.35Å; C225-W342 WeakPolarHBondContact O-CZ2 3.3Å; H228-W342 HydrophobicContact CB-CH2 3.81Å; H228-W342 HydrophobicContact CB-CZ2 3.96Å; S229-W342 WeakPolarHBondContact OG-CZ2 3.37Å; S229-W342 PolarHBondContact OG-NE1 2.87Å; I235-W342 PolarHBondContact O-N 3.06Å; I236-W342 CarbonylContact C-O 3.56Å; I236-W342 WeakPolarHBondContact CA-O 3.4Å; I236-W342 HydrophobicContact CB-CB 4.17Å; I236-W342 HydrophobicContact CG1-CB 4.03Å; I236-W342 HydrophobicContact CG1-CG 4.41Å; I236-W342 HydrophobicContact CG2-CB 3.83Å; L237-W342 PolarHBondContact N-O 2.73Å; S340-W342 PolarHBondContact OG-NE1 2.85Å; W342-Q370 CarbonylContact C-O 3.42Å; W342-Q370 VanDerWaalsContact CA-O 3.31Å; W342-Q370 WeakPolarHBondContact CA-O 3.33Å; W342-Q370 HydrophobicContact CD2-CB 4.04Å; W342-Q370 HydrophobicContact CE3-CB 3.84Å; W342-Q370 HydrophobicContact CH2-CB 4.39Å; W342-Q370 HydrophobicContact CZ3-CB 4.04Å; W342-S371 VanDerWaalsContact CZ3-O 3.31Å; W342-S371 WeakPolarHBondContact CZ3-O 3.24Å
343	S	96.3	Very high	89.5	Confident	1 Å²	1	57 Å²	57	1%	0.007	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	140.5	165.6	-176.8	0	0	0	0	111	L237 R345 Y355 Q370 S371 G372	L237-S343 WeakPolarHBondContact O-CA 3.25Å; L237-S343 PolarHBondContact O-OG 3.27Å; S343-R345 VanDerWaalsContact C-N 3.26Å; S343-R345 PolarHBondContact O-N 3.5Å; S343-R345 PolarHBondContact OG-N 3.33Å; S343-Y355 WeakPolarHBondContact OG-CE2 3.47Å; S343-Y355 PolarHBondContact OG-OH 3.49Å; S343-Q370 PolarHBondContact N-O 3.47Å; S343-S371 CarbonylContact O-C 3.6Å; S343-S371 WeakPolarHBondContact O-CA 3.21Å; S343-G372 PolarHBondContact O-N 2.89Å
344	V	94	Very high	89.8	Confident	3 Å²	3	52.2 Å²	52.2	2%	0.018	27%	0.267	C	S	.	.	S	Bend	trans	-74.8	-14.8	175.2	-59.8	0	0	0	0	113.1	F221 L237 I238 D259 S373 L376	F221-V344 HydrophobicContact CE1-CG1 3.82Å; F221-V344 HydrophobicContact CZ-CG1 3.6Å; L237-V344 PolarHBondContact O-N 2.97Å; I238-V344 HydrophobicContact CB-CG2 4.3Å; I238-V344 HydrophobicContact CG1-CG1 3.88Å; I238-V344 HydrophobicContact CG1-CG2 4.39Å; I238-V344 HydrophobicContact CG2-CG2 3.96Å; D259-V344 HydrophobicContact CB-CB 4.4Å; D259-V344 HydrophobicContact CB-CG2 4.17Å; V344-S373 WeakPolarHBondContact O-CB 3.46Å; V344-L376 HydrophobicContact CB-CD2 4.31Å; V344-L376 HydrophobicContact CG1-CD2 3.63Å
345	R	89.7	Confident	90.2	Very high	70 Å²	70	51.6 Å²	51.6	26%	0.264	26%	0.262	S	S	.	.			trans	-91.4	129.7	177.4	-72.3	-166.1	166.9	-103.9	-9.3	111.5	P239 D257 S343 K350	P239-R345 VanDerWaalsContact CG-CD 3.42Å; P239-R345 HydrophobicContact CG-CG 3.72Å; D257-R345 IonicContact OD2-CZ 3.56Å; D257-R345 IonicContact OD2-NE 3.7Å; D257-R345 IonicContact OD2-NH2 3.67Å; D257-R345 PolarHBondContact OD2-NH2 3.31Å; S343-R345 VanDerWaalsContact C-N 3.26Å; S343-R345 PolarHBondContact O-N 3.5Å; S343-R345 PolarHBondContact OG-N 3.33Å; R345-K350 WeakPolarHBondContact CD-O 3.21Å
346	K	83	Confident	90.7	Very high	134 Å²	134	52.9 Å²	52.9	58%	0.583	26%	0.261	S	S	*	.	S	Bend	trans	-67.5	-47.8	173	-66.2	179.8	-178.7	174.6	0	111.7	R348 D574	K346-R348 PolarHBondContact O-N 3.04Å; K346-D574 WeakPolarHBondContact CE-OD1 3.39Å; K346-D574 WeakPolarHBondContact CE-OD2 3.33Å; K346-D574 IonicContact NZ-OD1 2.73Å; K346-D574 PolarHBondContact NZ-OD1 3.33Å; K346-D574 IonicContact NZ-OD2 3.59Å
347	D	86.4	Confident	91.3	Very high	64 Å²	64	53 Å²	53	34%	0.342	26%	0.259	S	S	.	.			trans	-88.7	102.2	175	-174.8	-10.3	0	0	0	109.9	T349 K350	D347-T349 PolarHBondContact O-N 3.4Å; D347-T349 WeakPolarHBondContact OD1-CB 3.37Å; D347-T349 PolarHBondContact OD1-N 2.72Å; D347-T349 PolarHBondContact OD1-OG1 2.74Å; D347-K350 HydrophobicContact CB-CB 4.37Å; D347-K350 HydrophobicContact CB-CD 4.15Å; D347-K350 HydrophobicContact CB-CG 4.31Å; D347-K350 PolarHBondContact O-N 3.07Å; D347-K350 WeakPolarHBondContact OD2-CD 3.24Å; D347-K350 WeakPolarHBondContact OD2-CE 3.45Å; D347-K350 WeakPolarHBondContact OD2-CG 3.28Å; D347-K350 IonicContact OD2-NZ 3.43Å
348	R	86.1	Confident	91.9	Very high	106 Å²	106	44.7 Å²	44.7	40%	0.4	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-11	-177.8	-56.5	-169.6	-63.3	-77.8	5.6	113.3	K346 K350 Y355 V359 E363	K346-R348 PolarHBondContact O-N 3.04Å; R348-K350 VanDerWaalsContact C-N 3.32Å; R348-Y355 WeakPolarHBondContact O-CE1 3.42Å; R348-V359 HydrophobicContact CB-CG1 4.19Å; R348-E363 IonicContact CZ-OE1 3.88Å; R348-E363 VanDerWaalsContact CZ-OE1 3.32Å; R348-E363 IonicContact NE-OE1 2.7Å; R348-E363 PolarHBondContact NE-OE1 2.86Å; R348-E363 IonicContact NH2-OE1 3.87Å; R348-E363 PolarHBondContact NH2-OE1 3.27Å
349	T	83.9	Confident	92.2	Very high	105 Å²	105	43.7 Å²	43.7	64%	0.644	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-17.2	173.5	73.6	0	0	0	0	112.2	D347 R356	D347-T349 PolarHBondContact O-N 3.4Å; D347-T349 WeakPolarHBondContact OD1-CB 3.37Å; D347-T349 PolarHBondContact OD1-N 2.72Å; D347-T349 PolarHBondContact OD1-OG1 2.74Å; T349-R356 WeakPolarHBondContact O-CD 3.33Å
350	K	84.2	Confident	92.4	Very high	127 Å²	127	46.6 Å²	46.6	55%	0.552	23%	0.226	S	C	*	.	S	Bend	trans	-97.4	114.7	178.9	-69.5	-179.5	-177.3	173.1	0	110.3	R345 D347 R348	R345-K350 WeakPolarHBondContact CD-O 3.21Å; D347-K350 HydrophobicContact CB-CB 4.37Å; D347-K350 HydrophobicContact CB-CD 4.15Å; D347-K350 HydrophobicContact CB-CG 4.31Å; D347-K350 PolarHBondContact O-N 3.07Å; D347-K350 WeakPolarHBondContact OD2-CD 3.24Å; D347-K350 WeakPolarHBondContact OD2-CE 3.45Å; D347-K350 WeakPolarHBondContact OD2-CG 3.28Å; D347-K350 IonicContact OD2-NZ 3.43Å; R348-K350 VanDerWaalsContact C-N 3.32Å
351	G	84.7	Confident	92.5	Very high	24 Å²	24	47.5 Å²	47.5	25%	0.247	23%	0.23	C	C	.	.	S	Bend	trans	161.3	175	175.8	0	0	0	0	0	111.3	R356	G351-R356 PolarHBondContact O-NE 3.03Å
352	N	92.3	Very high	92.6	Very high	9 Å²	9	47.5 Å²	47.5	5%	0.048	23%	0.23	C	C	.	.			trans	-64.8	164.6	175.1	65.6	65.5	0	0	0	111.7	T242 A270 S271 S354 Y355 R356	T242-N352 HydrophobicContact CG2-CB 3.97Å; A270-N352 HydrophobicContact CB-CB 3.92Å; A270-N352 WeakPolarHBondContact O-CB 3.28Å; A270-N352 PolarHBondContact O-ND2 3.36Å; S271-N352 PolarHBondContact O-ND2 3.48Å; N352-S354 VanDerWaalsContact C-N 3.32Å; N352-S354 PolarHBondContact O-N 3.04Å; N352-S354 WeakPolarHBondContact OD1-CB 3.4Å; N352-S354 PolarHBondContact OD1-N 2.71Å; N352-S354 VanDerWaalsContact OD1-N 3.15Å; N352-Y355 WeakPolarHBondContact O-CB 3.48Å; N352-Y355 PolarHBondContact O-N 3.38Å; N352-Y355 VanDerWaalsContact O-N 3.17Å; N352-Y355 PolarHBondContact OD1-N 2.91Å; N352-R356 PolarHBondContact O-N 3.45Å
353	T	95.1	Very high	92.5	Very high	81 Å²	81	50.8 Å²	50.8	50%	0.497	25%	0.246	S	C	.	.	H	α-helix	trans	-58.2	-41.4	-177.2	-54.2	0	0	0	0	112.7	Y355 R356 L357	T353-Y355 VanDerWaalsContact C-N 3.3Å; T353-Y355 PolarHBondContact O-N 3.49Å; T353-R356 PolarHBondContact O-N 2.92Å; T353-R356 PolarHBondContact OG1-NH2 3.26Å; T353-R356 VanDerWaalsContact OG1-NH2 3.13Å; T353-L357 HydrophobicContact CG2-CD1 3.99Å; T353-L357 HydrophobicContact CG2-CG 4.35Å; T353-L357 WeakPolarHBondContact O-CG 3.07Å; T353-L357 PolarHBondContact O-N 2.89Å
354	S	96.8	Very high	92.5	Very high	6 Å²	6	56.8 Å²	56.8	4%	0.042	28%	0.278	C	S	.	.	H	α-helix	trans	-62.8	-36.2	178	-68.1	0	0	0	0	113	H320 N352 S358	H320-S354 WeakPolarHBondContact CB-OG 3.33Å; H320-S354 PolarHBondContact ND1-OG 3.24Å; N352-S354 VanDerWaalsContact C-N 3.32Å; N352-S354 PolarHBondContact O-N 3.04Å; N352-S354 WeakPolarHBondContact OD1-CB 3.4Å; N352-S354 PolarHBondContact OD1-N 2.71Å; N352-S354 VanDerWaalsContact OD1-N 3.15Å; S354-S358 WeakPolarHBondContact O-CB 3.39Å; S354-S358 PolarHBondContact O-N 3.03Å; S354-S358 PolarHBondContact O-OG 3.06Å
355	Y	97.6	Very high	92.5	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-64.7	-49.5	174.7	170.1	-104.1	0	0	0	111.6	L237 P239 L272 S343 R348 N352 T353 L357 S358 V359	L237-Y355 HydrophobicContact CB-CD2 4.05Å; L237-Y355 HydrophobicContact CB-CE2 3.9Å; L237-Y355 HydrophobicContact CD1-CD2 4.45Å; L237-Y355 HydrophobicContact CD1-CE2 4.35Å; P239-Y355 HydrophobicContact CB-CD1 4.36Å; P239-Y355 HydrophobicContact CB-CD2 3.78Å; P239-Y355 HydrophobicContact CB-CE2 4.47Å; P239-Y355 HydrophobicContact CB-CG 3.71Å; P239-Y355 HydrophobicContact CG-CD1 4.3Å; P239-Y355 HydrophobicContact CG-CD2 3.67Å; P239-Y355 HydrophobicContact CG-CE1 4.45Å; P239-Y355 HydrophobicContact CG-CE2 3.87Å; P239-Y355 HydrophobicContact CG-CG 3.9Å; L272-Y355 HydrophobicContact CD1-CD2 4.1Å; S343-Y355 WeakPolarHBondContact OG-CE2 3.47Å; S343-Y355 PolarHBondContact OG-OH 3.49Å; R348-Y355 WeakPolarHBondContact O-CE1 3.42Å; N352-Y355 WeakPolarHBondContact O-CB 3.48Å; N352-Y355 PolarHBondContact O-N 3.38Å; N352-Y355 VanDerWaalsContact O-N 3.17Å; N352-Y355 PolarHBondContact OD1-N 2.91Å; T353-Y355 VanDerWaalsContact C-N 3.3Å; T353-Y355 PolarHBondContact O-N 3.49Å; Y355-L357 PolarHBondContact O-N 3.08Å; Y355-S358 WeakPolarHBondContact O-CB 3.47Å; Y355-S358 PolarHBondContact O-N 2.78Å; Y355-S358 VanDerWaalsContact O-N 3.17Å; Y355-V359 HydrophobicContact CD2-CG2 4.36Å; Y355-V359 HydrophobicContact CE1-CG2 4.18Å; Y355-V359 HydrophobicContact CE2-CG2 3.83Å; Y355-V359 WeakPolarHBondContact O-CG2 3.3Å; Y355-V359 PolarHBondContact O-N 3.48Å
356	R	96.7	Very high	92.6	Very high	112 Å²	112	57.6 Å²	57.6	42%	0.423	31%	0.306	S	S	.	.	H	α-helix	trans	-61.4	-44.5	-179.9	-69.6	-178.1	-72.5	124	-4.5	111.9	T349 G351 N352 T353 S358 V359 E360	T349-R356 WeakPolarHBondContact O-CD 3.33Å; G351-R356 PolarHBondContact O-NE 3.03Å; N352-R356 PolarHBondContact O-N 3.45Å; T353-R356 PolarHBondContact O-N 2.92Å; T353-R356 PolarHBondContact OG1-NH2 3.26Å; T353-R356 VanDerWaalsContact OG1-NH2 3.13Å; R356-S358 VanDerWaalsContact C-N 3.34Å; R356-S358 PolarHBondContact O-N 3.43Å; R356-V359 PolarHBondContact O-N 2.94Å; R356-E360 WeakPolarHBondContact O-CB 3.5Å; R356-E360 PolarHBondContact O-N 3.39Å
357	L	97	Very high	93	Very high	45 Å²	45	51.5 Å²	51.5	24%	0.236	28%	0.28	C	S	.	.	H	α-helix	trans	-61.2	-41.7	174.6	-70.6	172.7	0	0	0	111.9	I323 V324 T353 Y355 E360 I361	I323-L357 HydrophobicContact CG2-CD1 4.42Å; V324-L357 HydrophobicContact CG2-CD1 4.14Å; T353-L357 HydrophobicContact CG2-CD1 3.99Å; T353-L357 HydrophobicContact CG2-CG 4.35Å; T353-L357 WeakPolarHBondContact O-CG 3.07Å; T353-L357 PolarHBondContact O-N 2.89Å; Y355-L357 PolarHBondContact O-N 3.08Å; L357-E360 PolarHBondContact O-N 2.93Å; L357-I361 WeakPolarHBondContact O-CD1 3.32Å; L357-I361 WeakPolarHBondContact O-CG1 3.17Å; L357-I361 PolarHBondContact O-N 3.47Å
358	S	97.7	Very high	93.2	Very high	0 Å²	0	53 Å²	53	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-60.9	-44.9	176.2	-59.2	0	0	0	0	112	I323 S354 Y355 R356 I361 L362	I323-S358 WeakPolarHBondContact CG1-OG 3.03Å; S354-S358 WeakPolarHBondContact O-CB 3.39Å; S354-S358 PolarHBondContact O-N 3.03Å; S354-S358 PolarHBondContact O-OG 3.06Å; Y355-S358 WeakPolarHBondContact O-CB 3.47Å; Y355-S358 PolarHBondContact O-N 2.78Å; Y355-S358 VanDerWaalsContact O-N 3.17Å; R356-S358 VanDerWaalsContact C-N 3.34Å; R356-S358 PolarHBondContact O-N 3.43Å; S358-I361 PolarHBondContact O-N 3.22Å; S358-L362 VanDerWaalsContact O-CG 3.25Å; S358-L362 WeakPolarHBondContact O-CG 3.48Å; S358-L362 PolarHBondContact O-N 3.41Å; S358-L362 VanDerWaalsContact O-N 3.13Å
359	V	96.7	Very high	93.6	Very high	7 Å²	7	48.5 Å²	48.5	4%	0.042	28%	0.28	C	S	.	.	H	α-helix	trans	-61.3	-49	176.9	171.4	0	0	0	0	110.6	L237 R348 Y355 R356 I361 L362 E363 V369	L237-V359 HydrophobicContact CD1-CG2 3.79Å; R348-V359 HydrophobicContact CB-CG1 4.19Å; Y355-V359 HydrophobicContact CD2-CG2 4.36Å; Y355-V359 HydrophobicContact CE1-CG2 4.18Å; Y355-V359 HydrophobicContact CE2-CG2 3.83Å; Y355-V359 WeakPolarHBondContact O-CG2 3.3Å; Y355-V359 PolarHBondContact O-N 3.48Å; R356-V359 PolarHBondContact O-N 2.94Å; V359-I361 VanDerWaalsContact C-N 3.35Å; V359-I361 PolarHBondContact O-N 3.47Å; V359-L362 PolarHBondContact O-N 3.48Å; V359-E363 HydrophobicContact CG1-CG 4.2Å; V359-E363 WeakPolarHBondContact O-CG 3.07Å; V359-E363 PolarHBondContact O-N 2.91Å; V359-V369 HydrophobicContact CG1-CG2 4.49Å
360	E	96.1	Very high	94.1	Very high	72 Å²	72	47.3 Å²	47.3	34%	0.336	27%	0.267	S	S	.	.	H	α-helix	trans	-58.1	-45	179.6	-178.9	-177.9	173.1	0	0	111.9	R356 L357 L362 E363 N364	R356-E360 WeakPolarHBondContact O-CB 3.5Å; R356-E360 PolarHBondContact O-N 3.39Å; L357-E360 PolarHBondContact O-N 2.93Å; E360-L362 VanDerWaalsContact C-N 3.35Å; E360-L362 PolarHBondContact O-N 2.98Å; E360-E363 PolarHBondContact O-N 3.42Å; E360-N364 VanDerWaalsContact O-CB 3.23Å; E360-N364 WeakPolarHBondContact O-CB 3.31Å; E360-N364 PolarHBondContact O-N 3.28Å; E360-N364 PolarHBondContact O-ND2 3.03Å
361	I	97	Very high	94.5	Very high	23 Å²	23	44 Å²	44	12%	0.118	26%	0.26	C	S	.	.	H	α-helix	trans	-62.1	-42.5	178.1	-67.3	161.1	0	0	0	111.1	V324 V327 Q328 V331 L357 S358 V359 A365	V324-I361 HydrophobicContact CB-CD1 4.39Å; V324-I361 HydrophobicContact CG1-CD1 4.16Å; V324-I361 HydrophobicContact CG2-CD1 4.39Å; V327-I361 HydrophobicContact CB-CD1 4.19Å; V327-I361 HydrophobicContact CB-CG2 4.26Å; V327-I361 HydrophobicContact CG1-CB 3.97Å; V327-I361 HydrophobicContact CG1-CD1 4.46Å; V327-I361 HydrophobicContact CG1-CG2 3.65Å; Q328-I361 HydrophobicContact CG-CD1 4.21Å; Q328-I361 HydrophobicContact CG-CG1 4.43Å; Q328-I361 HydrophobicContact CG-CG2 3.86Å; V331-I361 HydrophobicContact CG2-CG2 4.37Å; L357-I361 WeakPolarHBondContact O-CD1 3.32Å; L357-I361 WeakPolarHBondContact O-CG1 3.17Å; L357-I361 PolarHBondContact O-N 3.47Å; S358-I361 PolarHBondContact O-N 3.22Å; V359-I361 VanDerWaalsContact C-N 3.35Å; V359-I361 PolarHBondContact O-N 3.47Å; I361-A365 WeakPolarHBondContact O-CB 3.23Å; I361-A365 PolarHBondContact O-N 2.9Å; I361-A365 VanDerWaalsContact O-N 3.09Å
362	L	96.4	Very high	95	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-67.9	-44.3	179.3	-66.6	171.4	0	0	0	112	I235 L237 V327 V331 A341 S358 V359 E360 A365 M367 V369	I235-L362 HydrophobicContact CD1-CD1 4.43Å; I235-L362 HydrophobicContact CD1-CD2 4.34Å; I235-L362 HydrophobicContact CG2-CD1 3.92Å; I235-L362 HydrophobicContact CG2-CD2 3.83Å; L237-L362 HydrophobicContact CD1-CD1 3.77Å; L237-L362 HydrophobicContact CG-CD1 4.23Å; V327-L362 HydrophobicContact CG1-CD2 4.09Å; V327-L362 HydrophobicContact CG1-CG 4.14Å; V331-L362 HydrophobicContact CG2-CD2 3.77Å; A341-L362 HydrophobicContact CB-CD1 4.11Å; S358-L362 VanDerWaalsContact O-CG 3.25Å; S358-L362 WeakPolarHBondContact O-CG 3.48Å; S358-L362 PolarHBondContact O-N 3.41Å; S358-L362 VanDerWaalsContact O-N 3.13Å; V359-L362 PolarHBondContact O-N 3.48Å; E360-L362 VanDerWaalsContact C-N 3.35Å; E360-L362 PolarHBondContact O-N 2.98Å; L362-A365 WeakPolarHBondContact O-CB 3.45Å; L362-A365 PolarHBondContact O-N 3.25Å; L362-M367 HydrophobicContact CB-CB 4.48Å; L362-M367 HydrophobicContact CD2-SD 3.68Å; L362-M367 WeakPolarHBondContact O-CB 3.42Å; L362-M367 PolarHBondContact O-N 3.01Å; L362-V369 HydrophobicContact CB-CG2 4.16Å
363	E	94.9	Very high	95.1	Very high	77 Å²	77	42.8 Å²	42.8	36%	0.36	25%	0.248	S	C	.	.	H	α-helix	trans	-65.3	-41.3	178	-71.2	-178.8	160.7	0	0	111.1	R348 V359 E360 A365 G366 V369	R348-E363 IonicContact CZ-OE1 3.88Å; R348-E363 VanDerWaalsContact CZ-OE1 3.32Å; R348-E363 IonicContact NE-OE1 2.7Å; R348-E363 PolarHBondContact NE-OE1 2.86Å; R348-E363 IonicContact NH2-OE1 3.87Å; R348-E363 PolarHBondContact NH2-OE1 3.27Å; V359-E363 HydrophobicContact CG1-CG 4.2Å; V359-E363 WeakPolarHBondContact O-CG 3.07Å; V359-E363 PolarHBondContact O-N 2.91Å; E360-E363 PolarHBondContact O-N 3.42Å; E363-A365 PolarHBondContact O-N 3.33Å; E363-G366 WeakPolarHBondContact O-CA 3.5Å; E363-G366 PolarHBondContact O-N 3Å; E363-V369 HydrophobicContact CG-CG2 3.99Å
364	N	95.5	Very high	95.1	Very high	127 Å²	127	44.9 Å²	44.9	68%	0.679	25%	0.25	S	S	*	.	H	α-helix	trans	-64.2	-26.3	174.2	-75.5	-22.6	0	0	0	113.3	E360 G366	E360-N364 VanDerWaalsContact O-CB 3.23Å; E360-N364 WeakPolarHBondContact O-CB 3.31Å; E360-N364 PolarHBondContact O-N 3.28Å; E360-N364 PolarHBondContact O-ND2 3.03Å; N364-G366 PolarHBondContact O-N 2.62Å
365	A	94.1	Very high	95	Very high	27 Å²	27	45 Å²	45	22%	0.223	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	2.4	172.3	0	0	0	0	0	113.5	V331 P336 I361 L362 E363 M367	V331-A365 HydrophobicContact CG1-CB 3.46Å; V331-A365 VanDerWaalsContact CG1-CB 3.46Å; V331-A365 HydrophobicContact CG2-CB 4.28Å; P336-A365 WeakPolarHBondContact CB-O 3.38Å; P336-A365 VanDerWaalsContact CG-O 3.3Å; P336-A365 WeakPolarHBondContact CG-O 3.45Å; I361-A365 WeakPolarHBondContact O-CB 3.23Å; I361-A365 PolarHBondContact O-N 2.9Å; I361-A365 VanDerWaalsContact O-N 3.09Å; L362-A365 WeakPolarHBondContact O-CB 3.45Å; L362-A365 PolarHBondContact O-N 3.25Å; E363-A365 PolarHBondContact O-N 3.33Å; A365-M367 VanDerWaalsContact C-N 3.34Å
366	G	92.4	Very high	95.1	Very high	64 Å²	64	45 Å²	45	66%	0.66	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	14	-178	0	0	0	0	0	114.2	E363 N364	E363-G366 WeakPolarHBondContact O-CA 3.5Å; E363-G366 PolarHBondContact O-N 3Å; N364-G366 PolarHBondContact O-N 2.62Å
367	M	92.5	Very high	95.1	Very high	6 Å²	6	40.7 Å²	40.7	3%	0.03	24%	0.236	C	C	.	.			trans	-87.4	126.4	175.4	-57.7	-178.7	-175.6	0	0	110.3	V331 P336 T339 A341 L362 A365 V369	V331-M367 HydrophobicContact CG1-CE 4.39Å; V331-M367 HydrophobicContact CG2-CE 4.07Å; P336-M367 HydrophobicContact CB-CE 4.23Å; P336-M367 HydrophobicContact CB-CG 4.01Å; P336-M367 HydrophobicContact CG-CE 4.28Å; T339-M367 HydrophobicContact CG2-CE 3.79Å; T339-M367 HydrophobicContact CG2-SD 3.87Å; A341-M367 HydrophobicContact CB-CB 4.12Å; L362-M367 HydrophobicContact CB-CB 4.48Å; L362-M367 HydrophobicContact CD2-SD 3.68Å; L362-M367 WeakPolarHBondContact O-CB 3.42Å; L362-M367 PolarHBondContact O-N 3.01Å; A365-M367 VanDerWaalsContact C-N 3.34Å; M367-V369 PolarHBondContact O-N 2.96Å
368	S	90.4	Very high	95.1	Very high	95 Å²	95	40.6 Å²	40.6	66%	0.664	23%	0.234	S	C	*	.			trans	-79.5	116.1	172	-179	0	0	0	0	110.3	Q370	S368-Q370 PolarHBondContact O-N 3.41Å
369	V	93.5	Very high	95.1	Very high	12 Å²	12	41.6 Å²	41.6	7%	0.073	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	110.2	178	-173.8	0	0	0	0	110.5	A341 V359 L362 E363 M367	A341-V369 HydrophobicContact CB-CB 4.47Å; A341-V369 HydrophobicContact CB-CG2 4Å; A341-V369 CarbonylContact O-C 3.56Å; A341-V369 WeakPolarHBondContact O-CA 3.35Å; V359-V369 HydrophobicContact CG1-CG2 4.49Å; L362-V369 HydrophobicContact CB-CG2 4.16Å; E363-V369 HydrophobicContact CG-CG2 3.99Å; M367-V369 PolarHBondContact O-N 2.96Å
370	Q	93.7	Very high	95.2	Very high	79 Å²	79	41.6 Å²	41.6	37%	0.369	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	156.1	-179.1	-57.2	-178.1	39.4	0	0	111.9	A341 W342 S343 S368	A341-Q370 PolarHBondContact O-N 2.61Å; W342-Q370 CarbonylContact C-O 3.42Å; W342-Q370 VanDerWaalsContact CA-O 3.31Å; W342-Q370 WeakPolarHBondContact CA-O 3.33Å; W342-Q370 HydrophobicContact CD2-CB 4.04Å; W342-Q370 HydrophobicContact CE3-CB 3.84Å; W342-Q370 HydrophobicContact CH2-CB 4.39Å; W342-Q370 HydrophobicContact CZ3-CB 4.04Å; S343-Q370 PolarHBondContact N-O 3.47Å; S368-Q370 PolarHBondContact O-N 3.41Å
371	S	93.8	Very high	95.3	Very high	58 Å²	58	38.1 Å²	38.1	41%	0.406	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	119.7	174.3	-179.6	0	0	0	0	111.2	W342 S343 S373	W342-S371 VanDerWaalsContact CZ3-O 3.31Å; W342-S371 WeakPolarHBondContact CZ3-O 3.24Å; S343-S371 CarbonylContact O-C 3.6Å; S343-S371 WeakPolarHBondContact O-CA 3.21Å; S371-S373 PolarHBondContact OG-N 3.25Å
372	G	94.5	Very high	95.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.23	C	C	.	.			trans	-89.6	-1.9	172.3	0	0	0	0	0	114	S343 K374 V375 L376	S343-G372 PolarHBondContact O-N 2.89Å; G372-K374 PolarHBondContact O-N 3.37Å; G372-V375 PolarHBondContact O-N 3.35Å; G372-L376 PolarHBondContact O-N 3.02Å
373	S	94.8	Very high	95.4	Very high	8 Å²	8	41.3 Å²	41.3	6%	0.056	23%	0.233	C	C	.	.	H	α-helix	trans	-58.8	-48.6	-172.7	-169.2	0	0	0	0	112.3	V344 S371 V375 L376 H377 D574	V344-S373 WeakPolarHBondContact O-CB 3.46Å; S371-S373 PolarHBondContact OG-N 3.25Å; S373-V375 VanDerWaalsContact C-N 3.32Å; S373-V375 PolarHBondContact O-N 3.16Å; S373-L376 PolarHBondContact O-N 3.12Å; S373-L376 VanDerWaalsContact O-N 3.14Å; S373-H377 WeakPolarHBondContact O-CB 2.89Å; S373-H377 PolarHBondContact O-CD2 2.6Å; S373-H377 VanDerWaalsContact O-CG 3.31Å; S373-H377 PolarHBondContact O-N 3.28Å; S373-H377 PolarHBondContact OG-CE1 2.71Å; S373-D574 WeakPolarHBondContact CB-OD2 3.31Å; S373-D574 PolarHBondContact OG-OD2 2.88Å; S373-D574 VanDerWaalsContact OG-OD2 3.07Å
374	K	94.9	Very high	95.6	Very high	124 Å²	124	38.8 Å²	38.8	54%	0.539	22%	0.224	S	C	.	.	H	α-helix	trans	-57.5	-44	177.2	-175.7	178.4	178.8	-178.1	0	112.4	G372 L376 H377 E378 D574	G372-K374 PolarHBondContact O-N 3.37Å; K374-L376 VanDerWaalsContact C-N 3.33Å; K374-L376 PolarHBondContact O-N 2.95Å; K374-H377 PolarHBondContact O-N 3.39Å; K374-E378 WeakPolarHBondContact O-CG 3.28Å; K374-E378 PolarHBondContact O-N 3.11Å; K374-D574 HydrophobicContact CB-CB 4.2Å; K374-D574 HydrophobicContact CG-CB 4.38Å; K374-D574 PolarHBondContact N-OD2 3.36Å
375	V	95.9	Very high	95.7	Very high	9 Å²	9	37.7 Å²	37.7	6%	0.055	22%	0.224	C	C	.	.	H	α-helix	trans	-64.4	-40.6	179.8	-179.9	0	0	0	0	110.9	F221 R224 G372 S373	F221-V375 HydrophobicContact CD2-CG1 4.02Å; F221-V375 HydrophobicContact CE2-CB 4.1Å; F221-V375 HydrophobicContact CE2-CG1 4.03Å; R224-V375 HydrophobicContact CB-CG1 3.37Å; R224-V375 HydrophobicContact CG-CG1 4.39Å; G372-V375 PolarHBondContact O-N 3.35Å; S373-V375 VanDerWaalsContact C-N 3.32Å; S373-V375 PolarHBondContact O-N 3.16Å
376	L	97.7	Very high	95.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-72.1	-40.2	178.8	-172	51.4	0	0	0	112.2	F221 D259 Y262 L263 V344 G372 S373 K374 E378 L379 R380	F221-L376 HydrophobicContact CD1-CD1 4.41Å; F221-L376 HydrophobicContact CD2-CB 4.11Å; F221-L376 HydrophobicContact CD2-CD1 4.03Å; F221-L376 HydrophobicContact CE1-CD2 4.38Å; F221-L376 HydrophobicContact CE2-CB 3.68Å; F221-L376 HydrophobicContact CE2-CD1 4.36Å; F221-L376 HydrophobicContact CE2-CG 4.46Å; F221-L376 HydrophobicContact CG-CD1 4.09Å; F221-L376 HydrophobicContact CZ-CB 4.08Å; F221-L376 HydrophobicContact CZ-CD2 4.33Å; D259-L376 HydrophobicContact CB-CD2 3.43Å; D259-L376 VanDerWaalsContact CB-CD2 3.43Å; D259-L376 HydrophobicContact CB-CG 4.5Å; D259-L376 VanDerWaalsContact OD1-CD2 3.26Å; D259-L376 WeakPolarHBondContact OD1-CD2 3.31Å; D259-L376 WeakPolarHBondContact OD1-CG 3.33Å; Y262-L376 HydrophobicContact CD1-CD1 3.76Å; Y262-L376 HydrophobicContact CE1-CD1 3.94Å; L263-L376 HydrophobicContact CD1-CD1 4.25Å; L263-L376 HydrophobicContact CD1-CD2 4.02Å; L263-L376 HydrophobicContact CD2-CD1 4.02Å; L263-L376 HydrophobicContact CG-CD1 4.22Å; V344-L376 HydrophobicContact CB-CD2 4.31Å; V344-L376 HydrophobicContact CG1-CD2 3.63Å; G372-L376 PolarHBondContact O-N 3.02Å; S373-L376 PolarHBondContact O-N 3.12Å; S373-L376 VanDerWaalsContact O-N 3.14Å; K374-L376 VanDerWaalsContact C-N 3.33Å; K374-L376 PolarHBondContact O-N 2.95Å; L376-E378 VanDerWaalsContact C-N 3.28Å; L376-E378 PolarHBondContact O-N 2.87Å; L376-L379 HydrophobicContact CD1-CD1 4.38Å; L376-L379 WeakPolarHBondContact O-CA 3.3Å; L376-L379 WeakPolarHBondContact O-CB 3.47Å; L376-L379 PolarHBondContact O-N 3.43Å; L376-R380 PolarHBondContact O-N 3.04Å
377	H	97.9	Very high	96.2	Very high	22 Å²	22	34.2 Å²	34.2	10%	0.102	19%	0.188	C	C	.	.	H	α-helix	trans	-61.7	-35.6	174.8	-72.7	-172.7	0	0	0	111.6	D259 S373 K374 L379 R380 W381 T572 D574 V575	D259-H377 IonicContact OD1-CD2 3.79Å; D259-H377 IonicContact OD1-NE2 2.61Å; D259-H377 IonicContact OD2-NE2 3.54Å; S373-H377 WeakPolarHBondContact O-CB 2.89Å; S373-H377 PolarHBondContact O-CD2 2.6Å; S373-H377 VanDerWaalsContact O-CG 3.31Å; S373-H377 PolarHBondContact O-N 3.28Å; S373-H377 PolarHBondContact OG-CE1 2.71Å; K374-H377 PolarHBondContact O-N 3.39Å; H377-L379 PolarHBondContact O-N 3.4Å; H377-R380 PolarHBondContact O-N 3.09Å; H377-W381 WeakPolarHBondContact O-CB 3.05Å; H377-W381 PolarHBondContact O-N 2.94Å; H377-T572 HydrophobicContact CB-CG2 4.2Å; H377-T572 WeakPolarHBondContact O-CG2 3.46Å; H377-D574 HydrophobicContact CB-CB 4.31Å; H377-D574 IonicContact CE1-OD2 3.2Å; H377-D574 WeakPolarHBondContact ND1-CB 3.34Å; H377-D574 PolarHBondContact ND1-N 3.12Å; H377-D574 IonicContact ND1-OD2 3.54Å; H377-V575 HydrophobicContact CB-CG2 4.21Å
378	E	96.6	Very high	96.6	Very high	42 Å²	42	35 Å²	35	20%	0.196	19%	0.192	C	C	.	.	H	α-helix	trans	-63	-27.4	172.2	-74.6	-179.5	-175.9	0	0	113.9	K374 L376 R579	K374-E378 WeakPolarHBondContact O-CG 3.28Å; K374-E378 PolarHBondContact O-N 3.11Å; L376-E378 VanDerWaalsContact C-N 3.28Å; L376-E378 PolarHBondContact O-N 2.87Å; E378-R579 IonicContact OE1-NH1 3.43Å
379	L	97.5	Very high	96.9	Very high	22 Å²	22	34.9 Å²	34.9	12%	0.115	18%	0.184	C	C	.	.	H	α-helix	trans	-79.6	-41.2	174.5	-64.3	175.2	0	0	0	111.8	N220 F221 R224 Y262 L376 H377 W381	N220-L379 HydrophobicContact CB-CD1 4.43Å; N220-L379 HydrophobicContact CB-CD2 4.31Å; F221-L379 HydrophobicContact CB-CD1 3.68Å; F221-L379 HydrophobicContact CD2-CD1 4.11Å; F221-L379 HydrophobicContact CG-CD1 4.33Å; R224-L379 HydrophobicContact CG-CD2 4.46Å; Y262-L379 HydrophobicContact CE1-CB 4.21Å; Y262-L379 PolarHBondContact OH-O 3.23Å; L376-L379 HydrophobicContact CD1-CD1 4.38Å; L376-L379 WeakPolarHBondContact O-CA 3.3Å; L376-L379 WeakPolarHBondContact O-CB 3.47Å; L376-L379 PolarHBondContact O-N 3.43Å; H377-L379 PolarHBondContact O-N 3.4Å; L379-W381 VanDerWaalsContact C-N 3.3Å; L379-W381 PolarHBondContact O-N 3.31Å
380	R	98.3	Very high	97.2	Very high	6 Å²	6	34.7 Å²	34.7	2%	0.023	18%	0.183	C	C	.	.	H	α-helix	trans	-70.1	-23.8	176.8	-71.4	171.9	57.5	-179.9	0.5	113.6	S258 D259 Y262 L376 H377 R382 K383 D568 D571 T572	S258-R380 VanDerWaalsContact CB-NH2 3.35Å; D259-R380 WeakPolarHBondContact OD1-CD 3.33Å; D259-R380 IonicContact OD1-CZ 3.41Å; D259-R380 IonicContact OD1-NE 3.7Å; D259-R380 IonicContact OD1-NH1 3.65Å; D259-R380 PolarHBondContact OD1-NH1 3.28Å; Y262-R380 HydrophobicContact CD1-CG 3.85Å; Y262-R380 HydrophobicContact CD2-CG 3.53Å; Y262-R380 HydrophobicContact CE1-CG 4Å; Y262-R380 HydrophobicContact CE2-CB 4.38Å; Y262-R380 HydrophobicContact CE2-CG 3.68Å; Y262-R380 HydrophobicContact CG-CG 3.61Å; L376-R380 PolarHBondContact O-N 3.04Å; H377-R380 PolarHBondContact O-N 3.09Å; R380-R382 PolarHBondContact O-N 2.88Å; R380-K383 PolarHBondContact O-NZ 3.4Å; R380-D568 IonicContact CZ-OD2 2.77Å; R380-D568 IonicContact NH1-OD2 3.74Å; R380-D568 IonicContact NH2-OD2 3.94Å; R380-D568 PolarHBondContact NH2-OD2 2.86Å; R380-D571 IonicContact CZ-OD1 3.24Å; R380-D571 IonicContact NE-OD1 2.71Å; R380-D571 IonicContact NH2-OD1 2.76Å; R380-D571 PolarHBondContact NH2-OD1 3.37Å; R380-T572 HydrophobicContact CB-CG2 3.58Å
381	W	98.5	Very high	97.4	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64.6	-40.9	-171.8	174.9	65.1	0	0	0	112.5	H377 L379 K383 Y564 T572 V575 R579 P580 E582 V585	H377-W381 WeakPolarHBondContact O-CB 3.05Å; H377-W381 PolarHBondContact O-N 2.94Å; L379-W381 VanDerWaalsContact C-N 3.3Å; L379-W381 PolarHBondContact O-N 3.31Å; W381-K383 WeakPolarHBondContact O-CD 3.28Å; W381-K383 PolarHBondContact O-NZ 3.2Å; W381-Y564 AromaticContact CD1-CD1 3.7Å; W381-Y564 AromaticContact CD1-CD2 3.94Å; W381-Y564 AromaticContact CD1-CE1 3.82Å; W381-Y564 AromaticContact CD1-CG 3.78Å; W381-Y564 AromaticContact CD1-CZ 3.97Å; W381-Y564 AromaticContact NE1-CD1 3.34Å; W381-Y564 VanDerWaalsContact NE1-CD1 3.34Å; W381-Y564 AromaticContact NE1-CE1 3.04Å; W381-Y564 AromaticContact NE1-CE2 3.83Å; W381-Y564 AromaticContact NE1-CG 3.88Å; W381-Y564 AromaticContact NE1-CZ 3.3Å; W381-Y564 VanDerWaalsContact NE1-CZ 3.3Å; W381-T572 HydrophobicContact CB-CG2 4.14Å; W381-V575 HydrophobicContact CB-CG2 4.07Å; W381-V575 HydrophobicContact CD2-CG1 4.2Å; W381-V575 HydrophobicContact CG-CG1 4.07Å; W381-V575 HydrophobicContact CG-CG2 4.17Å; W381-R579 HydrophobicContact CH2-CG 3.86Å; W381-R579 VanDerWaalsContact CH2-NE 3.26Å; W381-R579 HydrophobicContact CZ2-CG 3.89Å; W381-P580 VanDerWaalsContact CH2-O 3.27Å; W381-P580 WeakPolarHBondContact CH2-O 3.03Å; W381-E582 HydrophobicContact CH2-CB 3.92Å; W381-E582 HydrophobicContact CH2-CG 3.78Å; W381-E582 HydrophobicContact CZ3-CB 4.1Å; W381-E582 VanDerWaalsContact CZ3-CD 3.47Å; W381-E582 HydrophobicContact CZ3-CG 4Å; W381-E582 WeakPolarHBondContact CZ3-OE1 3.28Å; W381-V585 HydrophobicContact CD2-CG2 3.78Å; W381-V585 VanDerWaalsContact CE2-CG2 3.42Å; W381-V585 HydrophobicContact CE3-CG2 4.08Å; W381-V585 HydrophobicContact CG-CG2 4.45Å; W381-V585 HydrophobicContact CH2-CG2 3.74Å; W381-V585 HydrophobicContact CZ2-CB 4.46Å; W381-V585 HydrophobicContact CZ2-CG1 4.25Å; W381-V585 HydrophobicContact CZ2-CG2 3.44Å; W381-V585 VanDerWaalsContact CZ2-CG2 3.44Å; W381-V585 HydrophobicContact CZ3-CG2 4.04Å
382	R	98.1	Very high	97.7	Very high	76 Å²	76	32.7 Å²	32.7	29%	0.287	16%	0.163	S	C	.	.	B	Isolated β-bridge	trans	-93.5	127.8	169.3	-71.5	-175.2	-62.4	-83.9	-19	110	R380 E582 V585	R380-R382 PolarHBondContact O-N 2.88Å; R382-E582 WeakPolarHBondContact CD-OE2 3.31Å; R382-E582 HydrophobicContact CG-CB 4.5Å; R382-E582 IonicContact CZ-OE2 3.24Å; R382-E582 IonicContact NE-OE2 2.81Å; R382-E582 IonicContact NH1-OE1 3.5Å; R382-E582 IonicContact NH1-OE2 3.74Å; R382-E582 PolarHBondContact NH1-OE2 3.23Å; R382-V585 HydrophobicContact CG-CG2 4.06Å
383	K	98.7	Very high	97.9	Very high	13 Å²	13	39 Å²	39	6%	0.057	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-86.8	134.3	-176.9	-72	46.3	172.2	161	0	108.7	R380 W381 E387 I388 L565 D571 G584 I586	R380-K383 PolarHBondContact O-NZ 3.4Å; W381-K383 WeakPolarHBondContact O-CD 3.28Å; W381-K383 PolarHBondContact O-NZ 3.2Å; K383-E387 WeakPolarHBondContact CA-OE2 3.49Å; K383-E387 HydrophobicContact CB-CB 3.84Å; K383-E387 HydrophobicContact CG-CB 4.19Å; K383-I388 HydrophobicContact CB-CD1 4.49Å; K383-I388 HydrophobicContact CB-CG1 3.73Å; K383-L565 WeakPolarHBondContact CE-O 3.27Å; K383-L565 PolarHBondContact NZ-O 3.41Å; K383-L565 VanDerWaalsContact NZ-O 3.14Å; K383-D571 IonicContact NZ-OD2 2.85Å; K383-D571 PolarHBondContact NZ-OD2 3.15Å; K383-G584 VanDerWaalsContact CB-O 3.31Å; K383-G584 WeakPolarHBondContact CB-O 3.33Å; K383-G584 WeakPolarHBondContact CD-O 3.22Å; K383-G584 PolarHBondContact N-O 3.33Å; K383-I586 HydrophobicContact CG-CD1 3.99Å; K383-I586 HydrophobicContact CG-CG1 4.41Å
384	S	98.4	Very high	98	Very high	25 Å²	25	38.7 Å²	38.7	18%	0.175	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-67.1	163.9	169.8	91.6	0	0	0	0	110.4	E213 A386 E387 I388	E213-S384 VanDerWaalsContact OE1-CB 3.32Å; E213-S384 WeakPolarHBondContact OE1-CB 3.44Å; E213-S384 PolarHBondContact OE1-OG 2.96Å; S384-A386 PolarHBondContact O-N 3.05Å; S384-A386 PolarHBondContact OG-N 3.43Å; S384-E387 PolarHBondContact N-OE2 2.93Å; S384-E387 WeakPolarHBondContact O-CB 3.35Å; S384-E387 PolarHBondContact O-N 3.31Å; S384-E387 WeakPolarHBondContact OG-CG 3.38Å; S384-E387 PolarHBondContact OG-N 2.72Å; S384-I388 WeakPolarHBondContact O-CG1 3.38Å; S384-I388 PolarHBondContact O-N 2.86Å
385	P	98.4	Very high	98.2	Very high	103 Å²	103	32.8 Å²	32.8	67%	0.669	16%	0.159	S	C	*	.	H	α-helix	trans	-53	-40.4	174.6	-28.2	36.4	0	0	0	113.6	I388 D389	P385-I388 PolarHBondContact O-N 3.41Å; P385-D389 PolarHBondContact O-N 2.93Å
386	A	98.4	Very high	98.4	Very high	15 Å²	15	35 Å²	35	12%	0.124	18%	0.175	C	C	.	.	H	α-helix	trans	-67.6	-36.7	177.7	0	0	0	0	0	112.2	I209 S384 D389 L390	I209-A386 HydrophobicContact CG1-CB 3.92Å; S384-A386 PolarHBondContact O-N 3.05Å; S384-A386 PolarHBondContact OG-N 3.43Å; A386-D389 PolarHBondContact O-N 3.26Å; A386-L390 WeakPolarHBondContact O-CG 3.44Å; A386-L390 PolarHBondContact O-N 3.06Å
387	E	98.8	Very high	98.4	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.019	18%	0.177	C	C	.	.	H	α-helix	trans	-67.1	-42.2	174.5	-59.7	179.9	130.2	0	0	111.1	I209 R217 Y262 K383 S384 D389 L390 M391 Y475	I209-E387 HydrophobicContact CD1-CG 4.32Å; R217-E387 IonicContact CZ-OE1 3.46Å; R217-E387 VanDerWaalsContact CZ-OE1 3.24Å; R217-E387 IonicContact NH1-OE1 2.99Å; R217-E387 PolarHBondContact NH1-OE1 3.4Å; R217-E387 VanDerWaalsContact NH1-OE1 3.14Å; R217-E387 IonicContact NH2-OE1 3.03Å; R217-E387 PolarHBondContact NH2-OE1 3.08Å; R217-E387 IonicContact NH2-OE2 2.73Å; Y262-E387 VanDerWaalsContact CE2-OE1 3.27Å; Y262-E387 WeakPolarHBondContact CE2-OE1 3.24Å; K383-E387 WeakPolarHBondContact CA-OE2 3.49Å; K383-E387 HydrophobicContact CB-CB 3.84Å; K383-E387 HydrophobicContact CG-CB 4.19Å; S384-E387 PolarHBondContact N-OE2 2.93Å; S384-E387 WeakPolarHBondContact O-CB 3.35Å; S384-E387 PolarHBondContact O-N 3.31Å; S384-E387 WeakPolarHBondContact OG-CG 3.38Å; S384-E387 PolarHBondContact OG-N 2.72Å; E387-D389 VanDerWaalsContact C-N 3.31Å; E387-D389 PolarHBondContact O-N 2.67Å; E387-L390 WeakPolarHBondContact O-CB 3.49Å; E387-L390 PolarHBondContact O-N 3.26Å; E387-M391 VanDerWaalsContact O-CG 3.23Å; E387-M391 WeakPolarHBondContact O-CG 3.42Å; E387-M391 PolarHBondContact O-N 3.42Å; E387-Y475 HydrophobicContact CB-CE1 3.88Å; E387-Y475 HydrophobicContact CG-CE1 3.98Å; E387-Y475 VanDerWaalsContact CG-OH 3.24Å; E387-Y475 WeakPolarHBondContact CG-OH 3.49Å; E387-Y475 PolarHBondContact OE1-OH 3.27Å
388	I	98.9	Very high	98.5	Very high	22 Å²	22	34.4 Å²	34.4	11%	0.113	17%	0.172	C	C	.	.	H	α-helix	trans	-60.8	-40.7	176.2	-68.1	168.4	0	0	0	111	K383 S384 P385 L390 M391 R392 L618	K383-I388 HydrophobicContact CB-CD1 4.49Å; K383-I388 HydrophobicContact CB-CG1 3.73Å; S384-I388 WeakPolarHBondContact O-CG1 3.38Å; S384-I388 PolarHBondContact O-N 2.86Å; P385-I388 PolarHBondContact O-N 3.41Å; I388-L390 VanDerWaalsContact C-N 3.33Å; I388-L390 PolarHBondContact O-N 3.34Å; I388-M391 WeakPolarHBondContact O-CB 3.36Å; I388-M391 PolarHBondContact O-N 3.28Å; I388-R392 WeakPolarHBondContact O-CG 3.31Å; I388-R392 PolarHBondContact O-N 3.02Å; I388-L618 HydrophobicContact CD1-CD1 4.07Å; I388-L618 HydrophobicContact CD1-CD2 4.4Å; I388-L618 HydrophobicContact CG1-CD1 4.11Å; I388-L618 HydrophobicContact CG1-CD2 4.5Å; I388-L618 HydrophobicContact CG2-CD2 3.62Å
389	D	98.6	Very high	98.6	Very high	93 Å²	93	32.4 Å²	32.4	50%	0.497	16%	0.163	S	C	.	.	H	α-helix	trans	-66.4	-35.1	177.2	-71.7	-19.8	0	0	0	112.4	P385 A386 E387 R392 R393	P385-D389 PolarHBondContact O-N 2.93Å; A386-D389 PolarHBondContact O-N 3.26Å; E387-D389 VanDerWaalsContact C-N 3.31Å; E387-D389 PolarHBondContact O-N 2.67Å; D389-R392 IonicContact OD1-NH1 2.91Å; D389-R392 PolarHBondContact OD1-NH1 3.37Å; D389-R393 WeakPolarHBondContact O-CB 3.39Å; D389-R393 PolarHBondContact O-N 3.5Å; D389-R393 VanDerWaalsContact O-N 3.09Å
390	L	98.7	Very high	98.6	Very high	8 Å²	8	36.5 Å²	36.5	4%	0.042	18%	0.182	C	C	.	.	H	α-helix	trans	-65.5	-41.8	170.9	-68.3	168.2	0	0	0	111.5	P207 I209 A386 E387 I388 R393 V394 F472 Y475	P207-L390 HydrophobicContact CB-CD2 3.94Å; P207-L390 WeakPolarHBondContact O-CD1 3.41Å; I209-L390 HydrophobicContact CD1-CD1 3.72Å; I209-L390 HydrophobicContact CG1-CD1 4.02Å; A386-L390 WeakPolarHBondContact O-CG 3.44Å; A386-L390 PolarHBondContact O-N 3.06Å; E387-L390 WeakPolarHBondContact O-CB 3.49Å; E387-L390 PolarHBondContact O-N 3.26Å; I388-L390 VanDerWaalsContact C-N 3.33Å; I388-L390 PolarHBondContact O-N 3.34Å; L390-R393 PolarHBondContact O-N 2.87Å; L390-V394 PolarHBondContact O-N 2.78Å; L390-F472 HydrophobicContact CD2-CD1 3.89Å; L390-F472 HydrophobicContact CD2-CE1 3.81Å; L390-Y475 HydrophobicContact CB-CD2 3.73Å; L390-Y475 HydrophobicContact CB-CE2 4.39Å; L390-Y475 HydrophobicContact CB-CG 4.01Å; L390-Y475 HydrophobicContact CD1-CD2 3.38Å; L390-Y475 HydrophobicContact CD1-CE2 3.34Å; L390-Y475 HydrophobicContact CD1-CG 4.41Å; L390-Y475 HydrophobicContact CG-CD2 4.15Å; L390-Y475 HydrophobicContact CG-CE2 4.48Å
391	M	98.8	Very high	98.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-62.6	-46.9	177.1	-69.2	-65.9	-53.4	0	0	111.7	E387 I388 R393 V394 C395 Y475 V476 L565 I586 L627	E387-M391 VanDerWaalsContact O-CG 3.23Å; E387-M391 WeakPolarHBondContact O-CG 3.42Å; E387-M391 PolarHBondContact O-N 3.42Å; I388-M391 WeakPolarHBondContact O-CB 3.36Å; I388-M391 PolarHBondContact O-N 3.28Å; M391-R393 VanDerWaalsContact C-N 3.27Å; M391-R393 PolarHBondContact O-N 2.91Å; M391-V394 WeakPolarHBondContact O-CG1 3.42Å; M391-V394 PolarHBondContact O-N 3.32Å; M391-V394 HydrophobicContact SD-CG1 4.44Å; M391-C395 VanDerWaalsContact O-CB 3.26Å; M391-C395 WeakPolarHBondContact O-CB 3.35Å; M391-C395 PolarHBondContact O-N 3.13Å; M391-C395 PolarHBondContact O-SG 2.67Å; M391-Y475 HydrophobicContact CG-CD1 4.08Å; M391-Y475 HydrophobicContact SD-CD1 3.72Å; M391-Y475 HydrophobicContact SD-CG 4.15Å; M391-V476 VanDerWaalsContact CE-O 3.31Å; M391-V476 WeakPolarHBondContact CE-O 3.2Å; M391-L565 HydrophobicContact CE-CB 4.44Å; M391-L565 HydrophobicContact CE-CD2 3.65Å; M391-L565 HydrophobicContact CE-CG 3.78Å; M391-I586 HydrophobicContact CB-CD1 3.58Å; M391-I586 HydrophobicContact CE-CD1 3.88Å; M391-I586 HydrophobicContact CE-CG2 4.07Å; M391-I586 HydrophobicContact CG-CD1 3.44Å; M391-I586 VanDerWaalsContact CG-CD1 3.44Å; M391-I586 HydrophobicContact SD-CD1 4.33Å; M391-L627 HydrophobicContact CB-CD1 4.15Å
392	R	98.8	Very high	98.7	Very high	94 Å²	94	36.2 Å²	36.2	36%	0.355	18%	0.18	S	C	.	.	H	α-helix	trans	-55.5	-43.7	172.4	-75.5	176.5	179.3	129.2	3.8	111.8	I388 D389 S396 E625 L627	I388-R392 WeakPolarHBondContact O-CG 3.31Å; I388-R392 PolarHBondContact O-N 3.02Å; D389-R392 IonicContact OD1-NH1 2.91Å; D389-R392 PolarHBondContact OD1-NH1 3.37Å; R392-S396 WeakPolarHBondContact O-CB 3.46Å; R392-S396 PolarHBondContact O-N 3.1Å; R392-E625 IonicContact CZ-OE1 3.08Å; R392-E625 IonicContact CZ-OE2 2.97Å; R392-E625 IonicContact NE-OE1 2.79Å; R392-E625 PolarHBondContact NE-OE1 3.48Å; R392-E625 IonicContact NE-OE2 3.93Å; R392-E625 PolarHBondContact NE-OE2 3.38Å; R392-E625 IonicContact NH2-OE1 3.38Å; R392-E625 IonicContact NH2-OE2 3.89Å; R392-E625 PolarHBondContact NH2-OE2 2.91Å; R392-L627 HydrophobicContact CG-CD2 3.67Å
393	R	98.5	Very high	98.7	Very high	134 Å²	134	33.5 Å²	33.5	51%	0.506	17%	0.174	S	C	.	.	H	α-helix	trans	-67	-47.5	-179.1	-176.8	156.3	-179.2	169.6	1	112.3	D389 L390 M391 S396 I397 F472	D389-R393 WeakPolarHBondContact O-CB 3.39Å; D389-R393 PolarHBondContact O-N 3.5Å; D389-R393 VanDerWaalsContact O-N 3.09Å; L390-R393 PolarHBondContact O-N 2.87Å; M391-R393 VanDerWaalsContact C-N 3.27Å; M391-R393 PolarHBondContact O-N 2.91Å; R393-S396 PolarHBondContact O-N 3.22Å; R393-I397 HydrophobicContact CG-CD1 4.1Å; R393-I397 WeakPolarHBondContact O-CG1 3.44Å; R393-I397 PolarHBondContact O-N 3.04Å; R393-F472 HydrophobicContact CB-CD1 4.46Å; R393-F472 HydrophobicContact CG-CD1 4.06Å; R393-F472 HydrophobicContact CG-CE1 4.11Å
394	V	98.8	Very high	98.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-68.6	-35.4	-179.3	74.8	0	0	0	0	112.1	L390 M391 I397 G398 C470 F472 S477	L390-V394 PolarHBondContact O-N 2.78Å; M391-V394 WeakPolarHBondContact O-CG1 3.42Å; M391-V394 PolarHBondContact O-N 3.32Å; M391-V394 HydrophobicContact SD-CG1 4.44Å; V394-I397 PolarHBondContact O-N 3.31Å; V394-G398 PolarHBondContact O-N 3.44Å; V394-C470 WeakPolarHBondContact CG2-O 3.26Å; V394-C470 VanDerWaalsContact CG2-SG 3.54Å; V394-C470 PolarHBondContact O-SG 2.67Å; V394-C470 VanDerWaalsContact O-SG 3.4Å; V394-F472 HydrophobicContact CB-CB 4.05Å; V394-F472 HydrophobicContact CG2-CB 3.99Å; V394-S477 PolarHBondContact O-OG 2.96Å
395	C	98.9	Very high	98.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-65.3	-41.5	173.6	-67.9	0	0	0	0	112.1	M391 G398 S399 D616 L627 T628	M391-C395 VanDerWaalsContact O-CB 3.26Å; M391-C395 WeakPolarHBondContact O-CB 3.35Å; M391-C395 PolarHBondContact O-N 3.13Å; M391-C395 PolarHBondContact O-SG 2.67Å; C395-G398 PolarHBondContact O-N 3.28Å; C395-S399 WeakPolarHBondContact O-CB 3.45Å; C395-S399 PolarHBondContact O-N 3.49Å; C395-S399 PolarHBondContact O-OG 2.85Å; C395-D616 PolarHBondContact SG-OD2 3.25Å; C395-L627 HydrophobicContact CB-CB 3.66Å; C395-L627 WeakPolarHBondContact CB-O 3.43Å; C395-L627 VanDerWaalsContact SG-CB 3.57Å; C395-T628 HydrophobicContact CB-CG2 3.68Å
396	S	98.8	Very high	98.7	Very high	56 Å²	56	28.3 Å²	28.3	39%	0.392	14%	0.142	S	C	.	.	H	α-helix	trans	-61.5	-46.2	174.8	-176.6	0	0	0	0	111.8	R392 R393 S399 E400	R392-S396 WeakPolarHBondContact O-CB 3.46Å; R392-S396 PolarHBondContact O-N 3.1Å; R393-S396 PolarHBondContact O-N 3.22Å; S396-S399 PolarHBondContact O-N 3.4Å; S396-E400 PolarHBondContact O-N 3.18Å
397	I	98.8	Very high	98.6	Very high	9 Å²	9	32.2 Å²	32.2	5%	0.046	16%	0.156	C	C	.	.	H	α-helix	trans	-60	-49.5	176.3	-67.7	165.6	0	0	0	111	R393 V394 S399 A401 L429 A431 F472	R393-I397 HydrophobicContact CG-CD1 4.1Å; R393-I397 WeakPolarHBondContact O-CG1 3.44Å; R393-I397 PolarHBondContact O-N 3.04Å; V394-I397 PolarHBondContact O-N 3.31Å; I397-S399 VanDerWaalsContact C-N 3.31Å; I397-S399 PolarHBondContact O-N 2.92Å; I397-A401 VanDerWaalsContact O-CB 3.26Å; I397-A401 WeakPolarHBondContact O-CB 3.47Å; I397-A401 PolarHBondContact O-N 2.85Å; I397-L429 HydrophobicContact CB-CB 4.41Å; I397-L429 HydrophobicContact CG1-CB 4.22Å; I397-L429 HydrophobicContact CG2-CB 3.74Å; I397-L429 HydrophobicContact CG2-CD1 4.42Å; I397-A431 HydrophobicContact CG2-CB 3.91Å; I397-F472 HydrophobicContact CD1-CB 4.42Å; I397-F472 HydrophobicContact CD1-CD2 4.31Å; I397-F472 HydrophobicContact CD1-CG 4.4Å
398	G	98.8	Very high	98.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-60.7	-40.5	178.4	0	0	0	0	0	112.4	V394 C395 A401 M402	V394-G398 PolarHBondContact O-N 3.44Å; C395-G398 PolarHBondContact O-N 3.28Å; G398-A401 PolarHBondContact O-N 3.21Å; G398-M402 VanDerWaalsContact O-CB 3.27Å; G398-M402 WeakPolarHBondContact O-CB 3.41Å; G398-M402 PolarHBondContact O-N 2.88Å
399	S	98.8	Very high	98.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-65.3	-46.3	-178.8	-66.2	0	0	0	0	113	C395 S396 I397 A403 T628 C630	C395-S399 WeakPolarHBondContact O-CB 3.45Å; C395-S399 PolarHBondContact O-N 3.49Å; C395-S399 PolarHBondContact O-OG 2.85Å; S396-S399 PolarHBondContact O-N 3.4Å; I397-S399 VanDerWaalsContact C-N 3.31Å; I397-S399 PolarHBondContact O-N 2.92Å; S399-A403 WeakPolarHBondContact O-CB 3.15Å; S399-A403 PolarHBondContact O-N 2.85Å; S399-T628 WeakPolarHBondContact OG-CA 3.42Å; S399-C630 WeakPolarHBondContact CB-SG 3.45Å
400	E	98.7	Very high	98.3	Very high	109 Å²	109	33.3 Å²	33.3	51%	0.509	16%	0.162	S	C	.	.	H	α-helix	trans	-68.8	-39.7	177.8	-176.6	175.1	-167.5	0	0	111.3	S396 A403 S404 L429	S396-E400 PolarHBondContact O-N 3.18Å; E400-A403 PolarHBondContact O-N 2.95Å; E400-S404 WeakPolarHBondContact O-CB 3.31Å; E400-S404 PolarHBondContact O-N 3.11Å; E400-L429 HydrophobicContact CB-CD1 3.71Å; E400-L429 HydrophobicContact CG-CD1 3.75Å; E400-L429 HydrophobicContact CG-CD2 4.37Å; E400-L429 VanDerWaalsContact OE2-CD2 3.28Å; E400-L429 WeakPolarHBondContact OE2-CD2 3.29Å
401	A	98.8	Very high	98.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.7	-44.2	174.9	0	0	0	0	0	112.5	I397 G398 S404 T405 M422 E425 C426 L429	I397-A401 VanDerWaalsContact O-CB 3.26Å; I397-A401 WeakPolarHBondContact O-CB 3.47Å; I397-A401 PolarHBondContact O-N 2.85Å; G398-A401 PolarHBondContact O-N 3.21Å; A401-S404 PolarHBondContact O-N 2.78Å; A401-T405 WeakPolarHBondContact O-CB 2.85Å; A401-T405 PolarHBondContact O-N 3.43Å; A401-T405 PolarHBondContact O-OG1 3.07Å; A401-M422 VanDerWaalsContact C-SD 3.56Å; A401-M422 HydrophobicContact CB-CE 3.89Å; A401-M422 HydrophobicContact CB-SD 3.67Å; A401-E425 HydrophobicContact CB-CB 3.63Å; A401-C426 HydrophobicContact CB-CB 4.46Å; A401-C426 WeakPolarHBondContact CB-SG 3.48Å; A401-L429 HydrophobicContact CB-CD1 4.26Å
402	M	98.8	Very high	98	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.6	-45.9	175.1	-180	66.9	71.3	0	0	110.7	G398 S404 T405 I406 M422 M466 A468 I479 R481 W483 C631	G398-M402 VanDerWaalsContact O-CB 3.27Å; G398-M402 WeakPolarHBondContact O-CB 3.41Å; G398-M402 PolarHBondContact O-N 2.88Å; M402-S404 VanDerWaalsContact C-N 3.34Å; M402-S404 PolarHBondContact O-N 2.8Å; M402-T405 PolarHBondContact O-N 2.88Å; M402-T405 VanDerWaalsContact O-N 3.15Å; M402-I406 HydrophobicContact CG-CD1 3.91Å; M402-I406 HydrophobicContact CG-CG1 4.4Å; M402-I406 VanDerWaalsContact O-CG1 3.25Å; M402-I406 WeakPolarHBondContact O-CG1 3.47Å; M402-I406 PolarHBondContact O-N 2.66Å; M402-I406 HydrophobicContact SD-CD1 4.41Å; M402-I406 HydrophobicContact SD-CG1 4.42Å; M402-M422 HydrophobicContact CB-CE 4.26Å; M402-M422 HydrophobicContact CB-SD 4.41Å; M402-M422 HydrophobicContact CE-CE 4.39Å; M402-M466 HydrophobicContact CE-CB 4.29Å; M402-M466 HydrophobicContact CE-CG 3.87Å; M402-M466 HydrophobicContact CE-SD 4.29Å; M402-M466 HydrophobicContact SD-CB 4.2Å; M402-M466 HydrophobicContact SD-CG 4.14Å; M402-M466 HydrophobicContact SD-SD 4.08Å; M402-A468 HydrophobicContact CE-CB 3.98Å; M402-I479 VanDerWaalsContact CE-O 3.26Å; M402-I479 WeakPolarHBondContact CE-O 3.37Å; M402-R481 HydrophobicContact CG-CB 4.28Å; M402-R481 HydrophobicContact CG-CG 3.82Å; M402-R481 HydrophobicContact SD-CB 4.21Å; M402-R481 HydrophobicContact SD-CG 4.36Å; M402-W483 HydrophobicContact SD-CH2 4.16Å; M402-W483 HydrophobicContact SD-CZ3 4.04Å; M402-C631 WeakPolarHBondContact CG-SG 3.42Å
403	A	98.4	Very high	98	Very high	19 Å²	19	34.8 Å²	34.8	16%	0.157	20%	0.195	C	C	.	.	H	α-helix	trans	-60.6	-41.2	177.1	0	0	0	0	0	112.8	S399 E400 T405 K407 P632	S399-A403 WeakPolarHBondContact O-CB 3.15Å; S399-A403 PolarHBondContact O-N 2.85Å; E400-A403 PolarHBondContact O-N 2.95Å; A403-T405 VanDerWaalsContact C-N 3.35Å; A403-K407 WeakPolarHBondContact O-CB 3.48Å; A403-K407 PolarHBondContact O-N 2.81Å; A403-P632 HydrophobicContact CB-CG 4.46Å
404	S	98.2	Very high	98	Very high	32 Å²	32	33.2 Å²	33.2	22%	0.224	19%	0.194	C	C	.	.	H	α-helix	trans	-63.1	-40.4	174.4	-174.5	0	0	0	0	111.7	E400 A401 M402 K407 F408 K421 E425	E400-S404 WeakPolarHBondContact O-CB 3.31Å; E400-S404 PolarHBondContact O-N 3.11Å; A401-S404 PolarHBondContact O-N 2.78Å; M402-S404 VanDerWaalsContact C-N 3.34Å; M402-S404 PolarHBondContact O-N 2.8Å; S404-K407 PolarHBondContact O-N 3.17Å; S404-F408 VanDerWaalsContact O-CB 3.3Å; S404-F408 WeakPolarHBondContact O-CB 3.09Å; S404-F408 PolarHBondContact O-N 2.97Å; S404-K421 PolarHBondContact OG-NZ 3.11Å; S404-E425 WeakPolarHBondContact CB-OE2 3.28Å; S404-E425 PolarHBondContact OG-OE2 3.1Å
405	T	98.4	Very high	98	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-68.6	-44.1	177.1	-55.9	0	0	0	0	112	A401 M402 A403 K407 F408 S409 L418 K421 M466	A401-T405 WeakPolarHBondContact O-CB 2.85Å; A401-T405 PolarHBondContact O-N 3.43Å; A401-T405 PolarHBondContact O-OG1 3.07Å; M402-T405 PolarHBondContact O-N 2.88Å; M402-T405 VanDerWaalsContact O-N 3.15Å; A403-T405 VanDerWaalsContact C-N 3.35Å; T405-K407 VanDerWaalsContact C-N 3.32Å; T405-K407 PolarHBondContact O-N 2.95Å; T405-F408 PolarHBondContact O-N 3.44Å; T405-F408 VanDerWaalsContact O-N 3.15Å; T405-S409 PolarHBondContact O-N 3.09Å; T405-L418 HydrophobicContact CG2-CB 4.14Å; T405-L418 HydrophobicContact CG2-CD2 4.43Å; T405-K421 HydrophobicContact CG2-CB 4.28Å; T405-K421 HydrophobicContact CG2-CG 3.98Å; T405-M466 HydrophobicContact CG2-SD 3.93Å
406	I	98.3	Very high	97.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-56	-48.8	173.9	-69.3	166.2	0	0	0	109.9	M402 F408 S409 R481 W483 L638 L641 R642	M402-I406 HydrophobicContact CG-CD1 3.91Å; M402-I406 HydrophobicContact CG-CG1 4.4Å; M402-I406 VanDerWaalsContact O-CG1 3.25Å; M402-I406 WeakPolarHBondContact O-CG1 3.47Å; M402-I406 PolarHBondContact O-N 2.66Å; M402-I406 HydrophobicContact SD-CD1 4.41Å; M402-I406 HydrophobicContact SD-CG1 4.42Å; I406-F408 VanDerWaalsContact C-N 3.33Å; I406-F408 PolarHBondContact O-N 3.36Å; I406-S409 PolarHBondContact O-N 2.81Å; I406-S409 PolarHBondContact O-OG 2.95Å; I406-R481 HydrophobicContact CD1-CB 4.02Å; I406-R481 HydrophobicContact CD1-CG 4.1Å; I406-W483 HydrophobicContact CB-CD2 4.39Å; I406-W483 HydrophobicContact CD1-CD2 4.49Å; I406-W483 HydrophobicContact CD1-CE3 4.1Å; I406-W483 HydrophobicContact CD1-CZ3 4.26Å; I406-W483 HydrophobicContact CG1-CD2 3.71Å; I406-W483 HydrophobicContact CG1-CE3 3.64Å; I406-W483 HydrophobicContact CG1-CG 4.37Å; I406-W483 HydrophobicContact CG1-CH2 3.82Å; I406-W483 HydrophobicContact CG1-CZ2 3.92Å; I406-W483 HydrophobicContact CG1-CZ3 3.7Å; I406-W483 HydrophobicContact CG2-CB 4.43Å; I406-W483 HydrophobicContact CG2-CD2 4.21Å; I406-W483 HydrophobicContact CG2-CG 4Å; I406-L638 HydrophobicContact CD1-CD2 3.98Å; I406-L638 HydrophobicContact CG2-CD2 4.19Å; I406-L641 HydrophobicContact CB-CD1 4.42Å; I406-L641 HydrophobicContact CG2-CB 4.38Å; I406-L641 HydrophobicContact CG2-CD1 4.02Å; I406-R642 PolarHBondContact O-NH1 3.38Å
407	K	97.4	Very high	97.9	Very high	97 Å²	97	37.7 Å²	37.7	42%	0.422	22%	0.215	S	C	.	.	H	α-helix	trans	-61.7	-41	178	-175.7	-177.5	175.9	-168	0	112.1	A403 S404 T405 R642	A403-K407 WeakPolarHBondContact O-CB 3.48Å; A403-K407 PolarHBondContact O-N 2.81Å; S404-K407 PolarHBondContact O-N 3.17Å; T405-K407 VanDerWaalsContact C-N 3.32Å; T405-K407 PolarHBondContact O-N 2.95Å; K407-R642 PolarHBondContact O-NH1 3.46Å
408	F	97.1	Very high	97.9	Very high	90 Å²	90	37.3 Å²	37.3	40%	0.395	21%	0.213	S	C	.	.	H	α-helix	trans	-71.3	-31.2	-177.6	172	-93.6	0	0	0	114	S404 T405 I406 V417 L418 K421	S404-F408 VanDerWaalsContact O-CB 3.3Å; S404-F408 WeakPolarHBondContact O-CB 3.09Å; S404-F408 PolarHBondContact O-N 2.97Å; T405-F408 PolarHBondContact O-N 3.44Å; T405-F408 VanDerWaalsContact O-N 3.15Å; I406-F408 VanDerWaalsContact C-N 3.33Å; I406-F408 PolarHBondContact O-N 3.36Å; F408-V417 HydrophobicContact CE1-CG1 3.84Å; F408-V417 HydrophobicContact CZ-CG1 4.23Å; F408-L418 HydrophobicContact CD1-CD2 4.23Å; F408-L418 HydrophobicContact CE1-CD2 4.49Å; F408-K421 HydrophobicContact CB-CD 4.23Å; F408-K421 HydrophobicContact CB-CG 4.2Å; F408-K421 HydrophobicContact CD1-CB 4.08Å; F408-K421 HydrophobicContact CD1-CD 4.07Å; F408-K421 HydrophobicContact CD1-CG 3.72Å; F408-K421 HydrophobicContact CD2-CD 4.39Å; F408-K421 HydrophobicContact CE1-CB 4.3Å; F408-K421 HydrophobicContact CE1-CG 4.36Å; F408-K421 HydrophobicContact CG-CD 3.96Å; F408-K421 HydrophobicContact CG-CG 4.02Å
409	S	97	Very high	97.9	Very high	4 Å²	4	38.7 Å²	38.7	3%	0.028	22%	0.22	C	C	.	.			trans	-60.2	154.6	-173.8	66.3	0	0	0	0	113.3	T405 I406 Q413 W483 R642	T405-S409 PolarHBondContact O-N 3.09Å; I406-S409 PolarHBondContact O-N 2.81Å; I406-S409 PolarHBondContact O-OG 2.95Å; S409-Q413 VanDerWaalsContact CA-OE1 3.29Å; S409-W483 PolarHBondContact OG-NE1 2.87Å; S409-R642 PolarHBondContact O-NH1 3.25Å; S409-R642 PolarHBondContact O-NH2 3.29Å; S409-R642 PolarHBondContact OG-NH1 2.98Å; S409-R642 VanDerWaalsContact OG-NH1 3.09Å
410	S	95	Very high	97.9	Very high	48 Å²	48	40.8 Å²	40.8	34%	0.336	24%	0.242	S	C	.	.			trans	-160.5	158.9	170.9	58	0	0	0	0	111.7	Q413	S410-Q413 PolarHBondContact O-N 2.87Å
411	A	96.4	Very high	97.9	Very high	34 Å²	34	37.5 Å²	37.5	28%	0.281	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	144.8	167.3	0	0	0	0	0	110.7	Q413 E460	A411-Q413 VanDerWaalsContact C-N 3.35Å; A411-E460 HydrophobicContact CB-CB 4.47Å; A411-E460 HydrophobicContact CB-CG 3.85Å
412	G	96.4	Very high	97.9	Very high	61 Å²	61	37.5 Å²	37.5	63%	0.629	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.1	-10.9	-175.9	0	0	0	0	0	114.9	I458	G412-I458 PolarHBondContact N-O 2.87Å
413	Q	97.3	Very high	97.9	Very high	37 Å²	37	39.6 Å²	39.6	17%	0.173	24%	0.237	C	C	.	.	S	Bend	trans	-79.5	155.6	169.7	-66.5	179.8	-34.6	0	0	111.2	S409 S410 A411 I458	S409-Q413 VanDerWaalsContact CA-OE1 3.29Å; S410-Q413 PolarHBondContact O-N 2.87Å; A411-Q413 VanDerWaalsContact C-N 3.35Å; Q413-I458 HydrophobicContact CB-CD1 4.45Å; Q413-I458 WeakPolarHBondContact O-CB 3.25Å; Q413-I458 WeakPolarHBondContact O-CG1 3.35Å; Q413-I458 PolarHBondContact O-N 3.3Å
414	E	98.3	Very high	97.9	Very high	102 Å²	102	44.2 Å²	44.2	48%	0.477	25%	0.254	S	S	.	.	B	Isolated β-bridge	trans	-78.5	143.9	166	-64.9	173.9	-162.5	0	0	110.2	N416 V417 Q456 L457	E414-N416 PolarHBondContact O-N 2.71Å; E414-V417 HydrophobicContact CB-CG2 4.18Å; E414-V417 WeakPolarHBondContact O-CB 3.44Å; E414-V417 PolarHBondContact O-N 3.47Å; E414-Q456 WeakPolarHBondContact CA-O 3.34Å; E414-L457 HydrophobicContact CG-CD2 3.74Å
415	E	98.6	Very high	97.9	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-52.4	-41.2	176.1	-71.1	164.8	161.5	0	0	111.9	V417 L418 V440 A442 R445 Y451 A454 N455 Q456 I458	E415-V417 PolarHBondContact O-N 3.23Å; E415-L418 WeakPolarHBondContact O-CB 3.31Å; E415-L418 PolarHBondContact O-N 3.33Å; E415-V440 HydrophobicContact CB-CG1 3.97Å; E415-V440 HydrophobicContact CG-CG1 4.37Å; E415-A442 HydrophobicContact CG-CB 4.4Å; E415-A442 PolarHBondContact OE1-N 2.8Å; E415-R445 IonicContact OE1-CZ 2.76Å; E415-R445 VanDerWaalsContact OE1-CZ 3.25Å; E415-R445 IonicContact OE1-NE 3.57Å; E415-R445 PolarHBondContact OE1-NE 3.35Å; E415-R445 IonicContact OE1-NH2 3.72Å; E415-R445 PolarHBondContact OE1-NH2 3.26Å; E415-R445 IonicContact OE2-NE 3.59Å; E415-Y451 VanDerWaalsContact OE2-CE1 3.24Å; E415-Y451 WeakPolarHBondContact OE2-CE1 3.42Å; E415-Y451 PolarHBondContact OE2-OH 3.44Å; E415-A454 HydrophobicContact CB-CB 4.02Å; E415-A454 WeakPolarHBondContact CB-O 3.31Å; E415-N455 PolarHBondContact OE2-N 3.48Å; E415-Q456 WeakPolarHBondContact CG-O 3.2Å; E415-Q456 PolarHBondContact N-O 3.31Å; E415-Q456 PolarHBondContact OE2-N 2.64Å; E415-I458 HydrophobicContact CG-CG1 3.93Å
416	N	98.3	Very high	97.9	Very high	89 Å²	89	43.7 Å²	43.7	48%	0.476	25%	0.248	S	C	.	.	H	α-helix	trans	-60.8	-26.8	179.4	-163.2	29	0	0	0	113.7	E414 L418 I419 G420 A454	E414-N416 PolarHBondContact O-N 2.71Å; N416-L418 PolarHBondContact O-N 3.47Å; N416-I419 WeakPolarHBondContact O-CB 3.22Å; N416-I419 PolarHBondContact O-N 2.8Å; N416-G420 PolarHBondContact O-N 2.9Å; N416-G420 VanDerWaalsContact O-N 3.12Å; N416-A454 WeakPolarHBondContact CA-O 3.34Å; N416-A454 VanDerWaalsContact CB-O 3.24Å; N416-A454 WeakPolarHBondContact CB-O 3.31Å; N416-A454 PolarHBondContact N-O 3.38Å
417	V	98.6	Very high	97.9	Very high	61 Å²	61	49.3 Å²	49.3	37%	0.37	27%	0.269	S	S	.	.	H	α-helix	trans	-63.2	-33.5	175.9	179.2	0	0	0	0	110.2	F408 E414 E415 G420 K421	F408-V417 HydrophobicContact CE1-CG1 3.84Å; F408-V417 HydrophobicContact CZ-CG1 4.23Å; E414-V417 HydrophobicContact CB-CG2 4.18Å; E414-V417 WeakPolarHBondContact O-CB 3.44Å; E414-V417 PolarHBondContact O-N 3.47Å; E415-V417 PolarHBondContact O-N 3.23Å; V417-G420 PolarHBondContact O-N 3.26Å; V417-K421 WeakPolarHBondContact O-CB 3.4Å; V417-K421 PolarHBondContact O-N 3.14Å
418	L	98.6	Very high	98	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-71.2	-33.6	177.4	-53.6	-171.4	0	0	0	111.9	T405 F408 E415 N416 K421 M422 V440 I458 I464 W483	T405-L418 HydrophobicContact CG2-CB 4.14Å; T405-L418 HydrophobicContact CG2-CD2 4.43Å; F408-L418 HydrophobicContact CD1-CD2 4.23Å; F408-L418 HydrophobicContact CE1-CD2 4.49Å; E415-L418 WeakPolarHBondContact O-CB 3.31Å; E415-L418 PolarHBondContact O-N 3.33Å; N416-L418 PolarHBondContact O-N 3.47Å; L418-K421 PolarHBondContact O-N 2.6Å; L418-M422 WeakPolarHBondContact O-CB 3.42Å; L418-M422 PolarHBondContact O-N 2.94Å; L418-V440 HydrophobicContact CB-CG1 4.18Å; L418-V440 HydrophobicContact CD1-CG1 4.11Å; L418-I458 HydrophobicContact CD1-CD1 3.67Å; L418-I458 HydrophobicContact CG-CD1 4.18Å; L418-I464 HydrophobicContact CD1-CD1 4.31Å; L418-I464 HydrophobicContact CD1-CG2 3.82Å; L418-W483 HydrophobicContact CD1-CZ2 4.34Å
419	I	98.6	Very high	98.1	Very high	30 Å²	30	48 Å²	48	15%	0.154	27%	0.27	C	S	.	.	H	α-helix	trans	-59.5	-50.8	170.7	-61.8	-176.5	0	0	0	109.9	N416 K421 M422 D423 P438 V440 A454	N416-I419 WeakPolarHBondContact O-CB 3.22Å; N416-I419 PolarHBondContact O-N 2.8Å; I419-K421 VanDerWaalsContact C-N 3.32Å; I419-K421 PolarHBondContact O-N 3.4Å; I419-M422 PolarHBondContact O-N 3.49Å; I419-D423 PolarHBondContact O-N 2.68Å; I419-P438 HydrophobicContact CG1-CB 4.33Å; I419-P438 HydrophobicContact CG2-CG 4.2Å; I419-V440 HydrophobicContact CD1-CG2 4.32Å; I419-V440 HydrophobicContact CG1-CB 4.29Å; I419-V440 HydrophobicContact CG1-CG2 3.59Å; I419-A454 HydrophobicContact CD1-CB 3.45Å; I419-A454 VanDerWaalsContact CD1-CB 3.45Å; I419-A454 HydrophobicContact CG1-CB 4.35Å
420	G	98.5	Very high	98.1	Very high	43 Å²	43	49.4 Å²	49.4	44%	0.443	29%	0.285	S	S	.	.	H	α-helix	trans	-61.6	-39.5	178.6	0	0	0	0	0	112.9	N416 V417 F424	N416-G420 PolarHBondContact O-N 2.9Å; N416-G420 VanDerWaalsContact O-N 3.12Å; V417-G420 PolarHBondContact O-N 3.26Å; G420-F424 WeakPolarHBondContact O-CB 3.26Å; G420-F424 PolarHBondContact O-N 3.12Å
421	K	98.7	Very high	98.2	Very high	40 Å²	40	47.5 Å²	47.5	17%	0.174	27%	0.272	C	S	.	.	H	α-helix	trans	-62.3	-48.1	174.8	176	61.4	-179.8	179.1	0	111.4	S404 T405 F408 V417 L418 I419 F424 E425	S404-K421 PolarHBondContact OG-NZ 3.11Å; T405-K421 HydrophobicContact CG2-CB 4.28Å; T405-K421 HydrophobicContact CG2-CG 3.98Å; F408-K421 HydrophobicContact CB-CD 4.23Å; F408-K421 HydrophobicContact CB-CG 4.2Å; F408-K421 HydrophobicContact CD1-CB 4.08Å; F408-K421 HydrophobicContact CD1-CD 4.07Å; F408-K421 HydrophobicContact CD1-CG 3.72Å; F408-K421 HydrophobicContact CD2-CD 4.39Å; F408-K421 HydrophobicContact CE1-CB 4.3Å; F408-K421 HydrophobicContact CE1-CG 4.36Å; F408-K421 HydrophobicContact CG-CD 3.96Å; F408-K421 HydrophobicContact CG-CG 4.02Å; V417-K421 WeakPolarHBondContact O-CB 3.4Å; V417-K421 PolarHBondContact O-N 3.14Å; L418-K421 PolarHBondContact O-N 2.6Å; I419-K421 VanDerWaalsContact C-N 3.32Å; I419-K421 PolarHBondContact O-N 3.4Å; K421-F424 PolarHBondContact O-N 2.68Å; K421-E425 HydrophobicContact CD-CG 3.98Å; K421-E425 WeakPolarHBondContact CE-OE1 3.38Å; K421-E425 VanDerWaalsContact NZ-CD 3.3Å; K421-E425 IonicContact NZ-OE1 3.71Å; K421-E425 PolarHBondContact NZ-OE1 2.8Å; K421-E425 VanDerWaalsContact O-CG 3.3Å; K421-E425 WeakPolarHBondContact O-CG 3.37Å; K421-E425 PolarHBondContact O-N 3.23Å
422	M	98.8	Very high	98.2	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62.5	-46.3	179.7	-176.7	64.6	179.2	0	0	112	A401 M402 L418 I419 F424 E425 C426 L434 M466 A468	A401-M422 VanDerWaalsContact C-SD 3.56Å; A401-M422 HydrophobicContact CB-CE 3.89Å; A401-M422 HydrophobicContact CB-SD 3.67Å; M402-M422 HydrophobicContact CB-CE 4.26Å; M402-M422 HydrophobicContact CB-SD 4.41Å; M402-M422 HydrophobicContact CE-CE 4.39Å; L418-M422 WeakPolarHBondContact O-CB 3.42Å; L418-M422 PolarHBondContact O-N 2.94Å; I419-M422 PolarHBondContact O-N 3.49Å; M422-F424 VanDerWaalsContact C-N 3.32Å; M422-F424 PolarHBondContact O-N 3.37Å; M422-E425 PolarHBondContact O-N 3.4Å; M422-C426 VanDerWaalsContact CE-SG 3.55Å; M422-C426 WeakPolarHBondContact O-CB 3.37Å; M422-C426 PolarHBondContact O-N 3.14Å; M422-C426 PolarHBondContact O-SG 3.36Å; M422-C426 VanDerWaalsContact O-SG 3.33Å; M422-L434 HydrophobicContact CG-CD2 4.15Å; M422-M466 HydrophobicContact CB-CE 3.36Å; M422-M466 HydrophobicContact CB-SD 4.42Å; M422-M466 HydrophobicContact CG-CE 3.68Å; M422-A468 HydrophobicContact CE-CB 3.85Å; M422-A468 HydrophobicContact CG-CB 3.95Å
423	D	98.7	Very high	98.2	Very high	44 Å²	44	47.7 Å²	47.7	24%	0.235	25%	0.25	C	S	.	.	H	α-helix	trans	-58.3	-45.5	176.6	-171.6	33.6	0	0	0	111.3	I419 E425 C426 R427 L434	I419-D423 PolarHBondContact O-N 2.68Å; D423-E425 PolarHBondContact O-N 3.17Å; D423-C426 PolarHBondContact O-N 2.91Å; D423-R427 VanDerWaalsContact CG-NE 3.26Å; D423-R427 WeakPolarHBondContact O-CB 3.44Å; D423-R427 VanDerWaalsContact O-CG 3.27Å; D423-R427 WeakPolarHBondContact O-CG 3.33Å; D423-R427 PolarHBondContact O-N 3.06Å; D423-R427 IonicContact OD1-CZ 2.64Å; D423-R427 IonicContact OD1-NE 3.38Å; D423-R427 PolarHBondContact OD1-NE 2.93Å; D423-R427 IonicContact OD1-NH2 3.54Å; D423-R427 PolarHBondContact OD1-NH2 3.32Å; D423-R427 IonicContact OD2-CZ 2.72Å; D423-R427 IonicContact OD2-NE 3.05Å; D423-R427 PolarHBondContact OD2-NE 2.76Å; D423-R427 IonicContact OD2-NH2 3.68Å; D423-L434 HydrophobicContact CB-CD1 3.75Å; D423-L434 HydrophobicContact CB-CD2 4.49Å; D423-L434 HydrophobicContact CB-CG 4.05Å
424	F	98.7	Very high	98.3	Very high	116 Å²	116	47.2 Å²	47.2	51%	0.509	25%	0.249	S	C	.	.	H	α-helix	trans	-59.1	-49.3	178	175.8	-96.5	0	0	0	112.1	G420 K421 M422 R427 L428	G420-F424 WeakPolarHBondContact O-CB 3.26Å; G420-F424 PolarHBondContact O-N 3.12Å; K421-F424 PolarHBondContact O-N 2.68Å; M422-F424 VanDerWaalsContact C-N 3.32Å; M422-F424 PolarHBondContact O-N 3.37Å; F424-R427 PolarHBondContact O-N 3.01Å; F424-L428 HydrophobicContact CE1-CD2 4Å; F424-L428 HydrophobicContact CZ-CD2 4.44Å; F424-L428 VanDerWaalsContact O-CB 3.3Å; F424-L428 WeakPolarHBondContact O-CB 3.33Å; F424-L428 PolarHBondContact O-N 3.13Å
425	E	98.8	Very high	98.3	Very high	21 Å²	21	43.5 Å²	43.5	10%	0.098	24%	0.236	C	C	.	.	H	α-helix	trans	-66.3	-41.4	-178	-64.5	-66.6	137.1	0	0	112.1	A401 S404 K421 M422 D423 R427 L428 L429	A401-E425 HydrophobicContact CB-CB 3.63Å; S404-E425 WeakPolarHBondContact CB-OE2 3.28Å; S404-E425 PolarHBondContact OG-OE2 3.1Å; K421-E425 HydrophobicContact CD-CG 3.98Å; K421-E425 WeakPolarHBondContact CE-OE1 3.38Å; K421-E425 VanDerWaalsContact NZ-CD 3.3Å; K421-E425 IonicContact NZ-OE1 3.71Å; K421-E425 PolarHBondContact NZ-OE1 2.8Å; K421-E425 VanDerWaalsContact O-CG 3.3Å; K421-E425 WeakPolarHBondContact O-CG 3.37Å; K421-E425 PolarHBondContact O-N 3.23Å; M422-E425 PolarHBondContact O-N 3.4Å; D423-E425 PolarHBondContact O-N 3.17Å; E425-R427 VanDerWaalsContact C-N 3.33Å; E425-R427 PolarHBondContact O-N 2.8Å; E425-L428 PolarHBondContact O-N 3.17Å; E425-L429 WeakPolarHBondContact O-CB 3.48Å; E425-L429 VanDerWaalsContact O-CG 3.3Å; E425-L429 WeakPolarHBondContact O-CG 3.08Å; E425-L429 PolarHBondContact O-N 3.35Å
426	C	98.8	Very high	98.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-58	-46.7	174.8	-71.9	0	0	0	0	111.5	A401 M422 D423 L429 G430 A431 L434 C470	A401-C426 HydrophobicContact CB-CB 4.46Å; A401-C426 WeakPolarHBondContact CB-SG 3.48Å; M422-C426 VanDerWaalsContact CE-SG 3.55Å; M422-C426 WeakPolarHBondContact O-CB 3.37Å; M422-C426 PolarHBondContact O-N 3.14Å; M422-C426 PolarHBondContact O-SG 3.36Å; M422-C426 VanDerWaalsContact O-SG 3.33Å; D423-C426 PolarHBondContact O-N 2.91Å; C426-L429 PolarHBondContact O-N 3.42Å; C426-G430 PolarHBondContact O-N 2.88Å; C426-A431 HydrophobicContact CB-CB 4.09Å; C426-A431 VanDerWaalsContact O-CB 3.28Å; C426-A431 WeakPolarHBondContact O-CB 3.21Å; C426-A431 PolarHBondContact O-N 3.05Å; C426-L434 HydrophobicContact CB-CD2 4.46Å; C426-C470 HydrophobicContact CB-CB 3.88Å
427	R	98.5	Very high	98.2	Very high	118 Å²	118	45.3 Å²	45.3	45%	0.445	25%	0.248	S	C	.	.	H	α-helix	trans	-66	-40.8	178.1	-69.5	173.3	-174	-72	-6.2	112.1	D423 F424 E425 L429 G430 E432	D423-R427 VanDerWaalsContact CG-NE 3.26Å; D423-R427 WeakPolarHBondContact O-CB 3.44Å; D423-R427 VanDerWaalsContact O-CG 3.27Å; D423-R427 WeakPolarHBondContact O-CG 3.33Å; D423-R427 PolarHBondContact O-N 3.06Å; D423-R427 IonicContact OD1-CZ 2.64Å; D423-R427 IonicContact OD1-NE 3.38Å; D423-R427 PolarHBondContact OD1-NE 2.93Å; D423-R427 IonicContact OD1-NH2 3.54Å; D423-R427 PolarHBondContact OD1-NH2 3.32Å; D423-R427 IonicContact OD2-CZ 2.72Å; D423-R427 IonicContact OD2-NE 3.05Å; D423-R427 PolarHBondContact OD2-NE 2.76Å; D423-R427 IonicContact OD2-NH2 3.68Å; F424-R427 PolarHBondContact O-N 3.01Å; E425-R427 VanDerWaalsContact C-N 3.33Å; E425-R427 PolarHBondContact O-N 2.8Å; R427-L429 PolarHBondContact O-N 3.07Å; R427-G430 PolarHBondContact O-N 2.73Å; R427-E432 PolarHBondContact NH1-O 2.9Å
428	L	98.5	Very high	98.2	Very high	111 Å²	111	42.6 Å²	42.6	58%	0.581	23%	0.231	S	C	*	.	H	α-helix	trans	-57.9	-38.3	177.7	-176.8	66.9	0	0	0	111.5	F424 E425 G430	F424-L428 HydrophobicContact CE1-CD2 4Å; F424-L428 HydrophobicContact CZ-CD2 4.44Å; F424-L428 VanDerWaalsContact O-CB 3.3Å; F424-L428 WeakPolarHBondContact O-CB 3.33Å; F424-L428 PolarHBondContact O-N 3.13Å; E425-L428 PolarHBondContact O-N 3.17Å; L428-G430 VanDerWaalsContact C-N 3.29Å; L428-G430 PolarHBondContact O-N 3.24Å
429	L	98.3	Very high	98.2	Very high	48 Å²	48	43 Å²	43	25%	0.251	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-0.1	179	-66.1	170.3	0	0	0	113.7	I397 E400 A401 E425 C426 R427	I397-L429 HydrophobicContact CB-CB 4.41Å; I397-L429 HydrophobicContact CG1-CB 4.22Å; I397-L429 HydrophobicContact CG2-CB 3.74Å; I397-L429 HydrophobicContact CG2-CD1 4.42Å; E400-L429 HydrophobicContact CB-CD1 3.71Å; E400-L429 HydrophobicContact CG-CD1 3.75Å; E400-L429 HydrophobicContact CG-CD2 4.37Å; E400-L429 VanDerWaalsContact OE2-CD2 3.28Å; E400-L429 WeakPolarHBondContact OE2-CD2 3.29Å; A401-L429 HydrophobicContact CB-CD1 4.26Å; E425-L429 WeakPolarHBondContact O-CB 3.48Å; E425-L429 VanDerWaalsContact O-CG 3.3Å; E425-L429 WeakPolarHBondContact O-CG 3.08Å; E425-L429 PolarHBondContact O-N 3.35Å; C426-L429 PolarHBondContact O-N 3.42Å; R427-L429 PolarHBondContact O-N 3.07Å
430	G	97.1	Very high	98.2	Very high	35 Å²	35	41.5 Å²	41.5	36%	0.361	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	101.1	8.9	170.4	0	0	0	0	0	115.8	C426 R427 L428 F472	C426-G430 PolarHBondContact O-N 2.88Å; R427-G430 PolarHBondContact O-N 2.73Å; L428-G430 VanDerWaalsContact C-N 3.29Å; L428-G430 PolarHBondContact O-N 3.24Å; G430-F472 VanDerWaalsContact O-CD2 3.28Å; G430-F472 WeakPolarHBondContact O-CD2 3.44Å
431	A	98.2	Very high	98.2	Very high	7 Å²	7	39.5 Å²	39.5	6%	0.058	21%	0.205	C	C	.	.			trans	-66	150.3	166.2	0	0	0	0	0	110.7	I397 C426 C470	I397-A431 HydrophobicContact CG2-CB 3.91Å; C426-A431 HydrophobicContact CB-CB 4.09Å; C426-A431 VanDerWaalsContact O-CB 3.28Å; C426-A431 WeakPolarHBondContact O-CB 3.21Å; C426-A431 PolarHBondContact O-N 3.05Å; A431-C470 HydrophobicContact CB-CB 3.76Å
432	E	96.2	Very high	98.1	Very high	69 Å²	69	37.6 Å²	37.6	32%	0.322	20%	0.197	S	C	.	.	S	Bend	trans	-75.2	-33.9	-179.8	-62.4	178.5	-149.2	0	0	111.5	R267 R427 E471 G473	R267-E432 IonicContact CZ-OE2 3.73Å; R267-E432 IonicContact NH1-OE2 3.25Å; R267-E432 PolarHBondContact NH1-OE2 3.36Å; R267-E432 IonicContact NH2-OE1 2.74Å; R267-E432 PolarHBondContact NH2-OE1 3.02Å; R267-E432 IonicContact NH2-OE2 3.84Å; R267-E432 PolarHBondContact NH2-OE2 3.3Å; R427-E432 PolarHBondContact NH1-O 2.9Å; E432-E471 PolarHBondContact N-O 2.71Å; E432-G473 PolarHBondContact OE1-N 3.1Å; E432-G473 VanDerWaalsContact OE1-N 3.07Å
433	K	96.9	Very high	98.1	Very high	30 Å²	30	38.1 Å²	38.1	13%	0.13	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.5	174.1	-175.8	54.7	-178	-178	-174.8	0	109.7	V253 E471	V253-K433 HydrophobicContact CG1-CD 4.24Å; K433-E471 WeakPolarHBondContact CE-OE1 3.4Å; K433-E471 WeakPolarHBondContact CE-OE2 3.43Å; K433-E471 HydrophobicContact CG-CB 4.18Å; K433-E471 IonicContact NZ-OE1 3.92Å; K433-E471 IonicContact NZ-OE2 3.74Å; K433-E471 PolarHBondContact NZ-OE2 2.94Å; K433-E471 PolarHBondContact O-N 3.25Å
434	L	98.3	Very high	98	Very high	28 Å²	28	38.7 Å²	38.7	15%	0.147	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	146.7	162.8	-63.7	173.6	0	0	0	111.5	M422 D423 C426 P438 G469	M422-L434 HydrophobicContact CG-CD2 4.15Å; D423-L434 HydrophobicContact CB-CD1 3.75Å; D423-L434 HydrophobicContact CB-CD2 4.49Å; D423-L434 HydrophobicContact CB-CG 4.05Å; C426-L434 HydrophobicContact CB-CD2 4.46Å; L434-P438 HydrophobicContact CD1-CG 3.62Å; L434-G469 WeakPolarHBondContact CA-O 3.39Å
435	A	97.9	Very high	98	Very high	24 Å²	24	35.8 Å²	35.8	20%	0.198	19%	0.191	C	C	.	.	S	Bend	trans	-72.7	-35.2	179.8	0	0	0	0	0	112.4	G469 V476	A435-G469 PolarHBondContact N-O 3.32Å; A435-V476 HydrophobicContact CB-CB 3.68Å; A435-V476 HydrophobicContact CB-CG1 3.67Å
436	Y	97.7	Very high	98	Very high	38 Å²	38	35 Å²	35	15%	0.149	19%	0.188	C	C	.	.	S	Bend	trans	-154.5	165.6	178.8	53.6	-94.9	0	0	0	109.2	P438 D467 A468 G469 D478 V569	Y436-P438 WeakPolarHBondContact O-CD 3.27Å; Y436-D467 PolarHBondContact OH-OD1 3.37Å; Y436-A468 WeakPolarHBondContact OH-CA 3.47Å; Y436-A468 PolarHBondContact OH-N 3.24Å; Y436-G469 PolarHBondContact OH-N 3.45Å; Y436-D478 WeakPolarHBondContact CE1-OD1 3.47Å; Y436-D478 PolarHBondContact OH-OD1 2.97Å; Y436-V569 HydrophobicContact CD1-CB 4.1Å; Y436-V569 HydrophobicContact CD1-CG1 4.49Å; Y436-V569 HydrophobicContact CD1-CG2 3.81Å; Y436-V569 HydrophobicContact CE1-CB 4.44Å; Y436-V569 HydrophobicContact CE1-CG2 3.7Å
437	P	97.4	Very high	97.9	Very high	89 Å²	89	35.5 Å²	35.5	58%	0.578	19%	0.191	S	C	*	.	P	Polyproline II helix	trans	-62.2	119.3	173.6	-20.9	33.7	0	0	0	110.6	L452	P437-L452 HydrophobicContact CB-CD2 4.11Å; P437-L452 WeakPolarHBondContact O-CD2 3.36Å
438	P	98.3	Very high	97.9	Very high	4 Å²	4	33.6 Å²	33.6	3%	0.026	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-60.7	142.5	-176.7	-26.4	36.8	0	0	0	112.5	I419 L434 Y436 V440 M466 D467 A468	I419-P438 HydrophobicContact CG1-CB 4.33Å; I419-P438 HydrophobicContact CG2-CG 4.2Å; L434-P438 HydrophobicContact CD1-CG 3.62Å; Y436-P438 WeakPolarHBondContact O-CD 3.27Å; P438-V440 HydrophobicContact CB-CG2 4.3Å; P438-M466 HydrophobicContact CB-CE 3.92Å; P438-M466 HydrophobicContact CG-CE 4.44Å; P438-D467 CarbonylContact C-O 3.54Å; P438-D467 VanDerWaalsContact CA-O 3.23Å; P438-D467 WeakPolarHBondContact CA-O 3.23Å; P438-D467 WeakPolarHBondContact CB-O 3.23Å; P438-A468 HydrophobicContact CB-CB 4.02Å; P438-A468 HydrophobicContact CG-CB 4.2Å
439	V	98.6	Very high	97.6	Very high	7 Å²	7	30.1 Å²	30.1	4%	0.042	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	120.2	166.8	-179.5	0	0	0	0	106.9	Y451 L452 L465 M466 D467	V439-Y451 WeakPolarHBondContact CG1-O 3.3Å; V439-L452 HydrophobicContact CG2-CD2 4.12Å; V439-L465 HydrophobicContact CG1-CD2 4.45Å; V439-M466 CarbonylContact O-C 3.51Å; V439-M466 VanDerWaalsContact O-CA 3.23Å; V439-M466 WeakPolarHBondContact O-CA 3.41Å; V439-D467 HydrophobicContact CB-CB 3.83Å; V439-D467 HydrophobicContact CG2-CB 4.22Å; V439-D467 PolarHBondContact N-O 2.69Å; V439-D467 PolarHBondContact O-N 3.03Å
440	V	98.6	Very high	97.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	101.5	176	-178.1	0	0	0	0	108.6	E415 L418 I419 P438 Y451 A454 I464 L465 M466	E415-V440 HydrophobicContact CB-CG1 3.97Å; E415-V440 HydrophobicContact CG-CG1 4.37Å; L418-V440 HydrophobicContact CB-CG1 4.18Å; L418-V440 HydrophobicContact CD1-CG1 4.11Å; I419-V440 HydrophobicContact CD1-CG2 4.32Å; I419-V440 HydrophobicContact CG1-CB 4.29Å; I419-V440 HydrophobicContact CG1-CG2 3.59Å; P438-V440 HydrophobicContact CB-CG2 4.3Å; V440-Y451 WeakPolarHBondContact O-CD1 3.27Å; V440-Y451 WeakPolarHBondContact O-CE1 3.43Å; V440-A454 HydrophobicContact CB-CB 4.29Å; V440-I464 HydrophobicContact CG1-CG2 4.42Å; V440-L465 WeakPolarHBondContact CA-O 3.35Å; V440-M466 HydrophobicContact CG2-CB 4.48Å; V440-M466 HydrophobicContact CG2-CE 3.7Å; V440-M466 HydrophobicContact CG2-CG 3.91Å; V440-M466 HydrophobicContact CG2-SD 4.12Å
441	G	98.4	Very high	97.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	124.5	179.1	0	0	0	0	0	111.4	L465	G441-L465 PolarHBondContact N-O 3.3Å; G441-L465 PolarHBondContact O-N 2.93Å
442	A	98.3	Very high	97.3	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	148.1	169.4	0	0	0	0	0	112.1	E415 D444 R445 I458 L463 I464	E415-A442 HydrophobicContact CG-CB 4.4Å; E415-A442 PolarHBondContact OE1-N 2.8Å; A442-D444 PolarHBondContact O-N 2.98Å; A442-R445 WeakPolarHBondContact O-CB 3.45Å; A442-R445 PolarHBondContact O-N 3.46Å; A442-R445 PolarHBondContact O-NE 2.83Å; A442-R445 PolarHBondContact O-NH1 3.09Å; A442-R445 PolarHBondContact O-NH2 3.13Å; A442-I458 HydrophobicContact CB-CB 4.32Å; A442-I458 HydrophobicContact CB-CG1 4Å; A442-I458 HydrophobicContact CB-CG2 4.07Å; A442-L463 CarbonylContact C-O 3.48Å; A442-L463 WeakPolarHBondContact CA-O 3.28Å; A442-I464 HydrophobicContact CB-CG1 4.25Å
443	G	97.5	Very high	97.4	Very high	11 Å²	11	40.1 Å²	40.1	11%	0.113	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	58.3	-134.6	-179.8	0	0	0	0	0	112.8	R445 A446 L463 G608	G443-R445 PolarHBondContact O-N 3Å; G443-R445 VanDerWaalsContact O-N 3.16Å; G443-A446 WeakPolarHBondContact O-CB 3.18Å; G443-A446 PolarHBondContact O-N 3.43Å; G443-L463 PolarHBondContact N-O 3.32Å; G443-G608 CarbonylContact C-O 3.52Å
444	D	97.5	Very high	97.4	Very high	56 Å²	56	38.7 Å²	38.7	30%	0.299	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-65.1	-17.6	-178.1	-164.8	33.3	0	0	0	113	A442 A446 N447 S597 G608	A442-D444 PolarHBondContact O-N 2.98Å; D444-A446 VanDerWaalsContact C-N 3.25Å; D444-A446 PolarHBondContact O-N 2.78Å; D444-N447 VanDerWaalsContact O-CB 3.22Å; D444-N447 WeakPolarHBondContact O-CB 3.1Å; D444-N447 PolarHBondContact O-N 2.8Å; D444-N447 PolarHBondContact O-ND2 2.77Å; D444-N447 PolarHBondContact OD1-ND2 3.17Å; D444-S597 PolarHBondContact OD1-N 3.02Å; D444-S597 VanDerWaalsContact OD1-N 3.1Å; D444-S597 VanDerWaalsContact OD2-CB 3.24Å; D444-S597 WeakPolarHBondContact OD2-CB 3.46Å; D444-S597 PolarHBondContact OD2-OG 3.02Å; D444-G608 VanDerWaalsContact CA-O 3.3Å; D444-G608 WeakPolarHBondContact CA-O 3.3Å; D444-G608 PolarHBondContact N-O 3.11Å; D444-G608 VanDerWaalsContact OD1-CA 3.31Å; D444-G608 WeakPolarHBondContact OD1-CA 3.16Å
445	R	98.2	Very high	97.3	Very high	55 Å²	55	41.7 Å²	41.7	21%	0.208	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-70.1	-24.8	179.1	-62	172.3	-62.3	-75.2	1.7	112.2	E415 A442 G443 N447 T448 Y451 L457 E462	E415-R445 IonicContact OE1-CZ 2.76Å; E415-R445 VanDerWaalsContact OE1-CZ 3.25Å; E415-R445 IonicContact OE1-NE 3.57Å; E415-R445 PolarHBondContact OE1-NE 3.35Å; E415-R445 IonicContact OE1-NH2 3.72Å; E415-R445 PolarHBondContact OE1-NH2 3.26Å; E415-R445 IonicContact OE2-NE 3.59Å; A442-R445 WeakPolarHBondContact O-CB 3.45Å; A442-R445 PolarHBondContact O-N 3.46Å; A442-R445 PolarHBondContact O-NE 2.83Å; A442-R445 PolarHBondContact O-NH1 3.09Å; A442-R445 PolarHBondContact O-NH2 3.13Å; G443-R445 PolarHBondContact O-N 3Å; G443-R445 VanDerWaalsContact O-N 3.16Å; R445-N447 PolarHBondContact O-N 3.42Å; R445-N447 VanDerWaalsContact O-N 3.07Å; R445-T448 PolarHBondContact O-N 3.44Å; R445-Y451 HydrophobicContact CB-CD1 4.35Å; R445-Y451 HydrophobicContact CB-CD2 4.45Å; R445-Y451 HydrophobicContact CB-CE1 4.16Å; R445-Y451 HydrophobicContact CB-CE2 4.3Å; R445-Y451 HydrophobicContact CB-CG 4.48Å; R445-Y451 HydrophobicContact CG-CE2 4.43Å; R445-L457 PolarHBondContact NH2-O 2.9Å; R445-E462 IonicContact NH1-OE1 3.63Å; R445-E462 IonicContact NH2-OE1 3.69Å; R445-E462 IonicContact NH2-OE2 2.71Å; R445-E462 PolarHBondContact NH2-OE2 3.39Å
446	A	98	Very high	97.3	Very high	4 Å²	4	45 Å²	45	3%	0.033	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-60.3	-14.8	170.2	0	0	0	0	0	113.2	G443 D444 T448 L465 Y594	G443-A446 WeakPolarHBondContact O-CB 3.18Å; G443-A446 PolarHBondContact O-N 3.43Å; D444-A446 VanDerWaalsContact C-N 3.25Å; D444-A446 PolarHBondContact O-N 2.78Å; A446-T448 VanDerWaalsContact C-N 3.28Å; A446-L465 HydrophobicContact CB-CB 3.75Å; A446-L465 HydrophobicContact CB-CD1 4.24Å; A446-Y594 WeakPolarHBondContact O-CD1 3.3Å
447	N	98	Very high	97.4	Very high	11 Å²	11	48 Å²	48	6%	0.059	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-77.2	-10.8	173	-71.5	-56.5	0	0	0	114.6	D444 R445 Y594 F595 N596 I609 G610	D444-N447 VanDerWaalsContact O-CB 3.22Å; D444-N447 WeakPolarHBondContact O-CB 3.1Å; D444-N447 PolarHBondContact O-N 2.8Å; D444-N447 PolarHBondContact O-ND2 2.77Å; D444-N447 PolarHBondContact OD1-ND2 3.17Å; R445-N447 PolarHBondContact O-N 3.42Å; R445-N447 VanDerWaalsContact O-N 3.07Å; N447-Y594 VanDerWaalsContact OD1-C 3.31Å; N447-Y594 WeakPolarHBondContact OD1-CA 3.4Å; N447-F595 PolarHBondContact ND2-O 3.26Å; N447-F595 PolarHBondContact OD1-N 2.87Å; N447-N596 HydrophobicContact CB-CB 4.43Å; N447-N596 VanDerWaalsContact CB-OD1 3.23Å; N447-N596 WeakPolarHBondContact CB-OD1 3.44Å; N447-I609 PolarHBondContact OD1-O 3.03Å; N447-G610 VanDerWaalsContact OD1-CA 3.31Å; N447-G610 WeakPolarHBondContact OD1-CA 3.36Å; N447-G610 PolarHBondContact OD1-N 3.16Å
448	T	97.5	Very high	97.4	Very high	78 Å²	78	43.8 Å²	43.8	48%	0.479	23%	0.226	S	C	.	.	S	Bend	trans	-94.9	103.2	171.9	-62.2	0	0	0	0	109.1	R445 A446 H450 Y451	R445-T448 PolarHBondContact O-N 3.44Å; A446-T448 VanDerWaalsContact C-N 3.28Å; T448-H450 PolarHBondContact O-N 2.82Å; T448-H450 VanDerWaalsContact O-N 3.12Å; T448-Y451 VanDerWaalsContact O-CB 3.24Å; T448-Y451 WeakPolarHBondContact O-CB 3.42Å; T448-Y451 PolarHBondContact O-N 3.03Å
449	I	93.1	Very high	97.4	Very high	38 Å²	38	46.8 Å²	46.8	20%	0.195	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-31.5	-168.5	-64.4	176.5	0	0	0	113.8	P558 Y594	I449-P558 HydrophobicContact CD1-CG 3.5Å; I449-P558 VanDerWaalsContact CD1-CG 3.5Å; I449-Y594 HydrophobicContact CD1-CD2 4.36Å; I449-Y594 HydrophobicContact CD1-CE1 4.42Å; I449-Y594 HydrophobicContact CD1-CE2 4.07Å; I449-Y594 HydrophobicContact CG1-CD1 4.18Å; I449-Y594 HydrophobicContact CG1-CE1 3.74Å; I449-Y594 HydrophobicContact CG1-CE2 4.27Å
450	H	93.3	Very high	97.3	Very high	144 Å²	144	53.5 Å²	53.5	67%	0.667	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115	46.2	174.4	-58.6	155.4	0	0	0	111.2	T448 L452	T448-H450 PolarHBondContact O-N 2.82Å; T448-H450 VanDerWaalsContact O-N 3.12Å; H450-L452 PolarHBondContact O-N 3.48Å
451	Y	97	Very high	97.1	Very high	19 Å²	19	57.7 Å²	57.7	8%	0.075	30%	0.3	C	S	.	.			trans	-70.1	95	175.7	178.6	-106.3	0	0	0	110.9	E415 V439 V440 R445 T448 D453 N455	E415-Y451 VanDerWaalsContact OE2-CE1 3.24Å; E415-Y451 WeakPolarHBondContact OE2-CE1 3.42Å; E415-Y451 PolarHBondContact OE2-OH 3.44Å; V439-Y451 WeakPolarHBondContact CG1-O 3.3Å; V440-Y451 WeakPolarHBondContact O-CD1 3.27Å; V440-Y451 WeakPolarHBondContact O-CE1 3.43Å; R445-Y451 HydrophobicContact CB-CD1 4.35Å; R445-Y451 HydrophobicContact CB-CD2 4.45Å; R445-Y451 HydrophobicContact CB-CE1 4.16Å; R445-Y451 HydrophobicContact CB-CE2 4.3Å; R445-Y451 HydrophobicContact CB-CG 4.48Å; R445-Y451 HydrophobicContact CG-CE2 4.43Å; T448-Y451 VanDerWaalsContact O-CB 3.24Å; T448-Y451 WeakPolarHBondContact O-CB 3.42Å; T448-Y451 PolarHBondContact O-N 3.03Å; Y451-D453 HydrophobicContact CD2-CB 4.4Å; Y451-D453 HydrophobicContact CE2-CB 3.79Å; Y451-N455 PolarHBondContact OH-N 3.14Å
452	L	96.7	Very high	97	Very high	92 Å²	92	59.4 Å²	59.4	48%	0.482	31%	0.307	S	S	.	.			trans	-95.7	-11.4	-178.4	-63.5	-176.8	0	0	0	113.7	P437 V439 H450 A454	P437-L452 HydrophobicContact CB-CD2 4.11Å; P437-L452 WeakPolarHBondContact O-CD2 3.36Å; V439-L452 HydrophobicContact CG2-CD2 4.12Å; H450-L452 PolarHBondContact O-N 3.48Å; L452-A454 PolarHBondContact O-N 3.45Å
453	D	97.4	Very high	97	Very high	114 Å²	114	59.7 Å²	59.7	61%	0.61	31%	0.309	S	S	*	.			trans	-64.9	-42	-175.3	-71.5	-12	0	0	0	111.6	Y451 N455	Y451-D453 HydrophobicContact CD2-CB 4.4Å; Y451-D453 HydrophobicContact CE2-CB 3.79Å; D453-N455 WeakPolarHBondContact O-CB 3.41Å; D453-N455 PolarHBondContact O-N 3.31Å
454	A	97.1	Very high	97.1	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.303	C	S	.	.			trans	42.4	37.7	176.7	0	0	0	0	0	113.8	E415 N416 I419 V440 L452	E415-A454 HydrophobicContact CB-CB 4.02Å; E415-A454 WeakPolarHBondContact CB-O 3.31Å; N416-A454 WeakPolarHBondContact CA-O 3.34Å; N416-A454 VanDerWaalsContact CB-O 3.24Å; N416-A454 WeakPolarHBondContact CB-O 3.31Å; N416-A454 PolarHBondContact N-O 3.38Å; I419-A454 HydrophobicContact CD1-CB 3.45Å; I419-A454 VanDerWaalsContact CD1-CB 3.45Å; I419-A454 HydrophobicContact CG1-CB 4.35Å; V440-A454 HydrophobicContact CB-CB 4.29Å; L452-A454 PolarHBondContact O-N 3.45Å
455	N	97.5	Very high	97.2	Very high	92 Å²	92	56.7 Å²	56.7	49%	0.492	29%	0.29	S	S	.	.			trans	-111.6	11.8	-167.3	66.1	18.4	0	0	0	113.6	E415 Y451 D453	E415-N455 PolarHBondContact OE2-N 3.48Å; Y451-N455 PolarHBondContact OH-N 3.14Å; D453-N455 WeakPolarHBondContact O-CB 3.41Å; D453-N455 PolarHBondContact O-N 3.31Å
456	Q	98.2	Very high	97.2	Very high	94 Å²	94	54.1 Å²	54.1	44%	0.439	28%	0.281	S	S	.	.	S	Bend	trans	-105.9	161.8	-179.6	-66	-59.2	-50.9	0	0	112.3	E414 E415	E414-Q456 WeakPolarHBondContact CA-O 3.34Å; E415-Q456 WeakPolarHBondContact CG-O 3.2Å; E415-Q456 PolarHBondContact N-O 3.31Å; E415-Q456 PolarHBondContact OE2-N 2.64Å
457	L	98.2	Very high	97.2	Very high	99 Å²	99	54.7 Å²	54.7	52%	0.518	28%	0.283	S	S	.	.	B	Isolated β-bridge	trans	-74.9	140.2	170.4	-68.1	172.3	0	0	0	110.6	E414 R445	E414-L457 HydrophobicContact CG-CD2 3.74Å; R445-L457 PolarHBondContact NH2-O 2.9Å
458	I	98.4	Very high	97.3	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.01	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-80.4	118.5	170.5	-57.5	172.7	0	0	0	107.9	G412 Q413 E415 L418 A442 I464 S485	G412-I458 PolarHBondContact N-O 2.87Å; Q413-I458 HydrophobicContact CB-CD1 4.45Å; Q413-I458 WeakPolarHBondContact O-CB 3.25Å; Q413-I458 WeakPolarHBondContact O-CG1 3.35Å; Q413-I458 PolarHBondContact O-N 3.3Å; E415-I458 HydrophobicContact CG-CG1 3.93Å; L418-I458 HydrophobicContact CD1-CD1 3.67Å; L418-I458 HydrophobicContact CG-CD1 4.18Å; A442-I458 HydrophobicContact CB-CB 4.32Å; A442-I458 HydrophobicContact CB-CG1 4Å; A442-I458 HydrophobicContact CB-CG2 4.07Å; I458-I464 HydrophobicContact CD1-CD1 4Å; I458-I464 HydrophobicContact CD1-CG1 4.32Å; I458-I464 HydrophobicContact CG2-CD1 3.91Å; I458-I464 HydrophobicContact CG2-CG1 3.89Å; I458-S485 VanDerWaalsContact CG2-CB 3.49Å
459	C	97.6	Very high	97.3	Very high	66 Å²	66	50.5 Å²	50.5	45%	0.446	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-88.5	161.6	178.8	-62.7	0	0	0	0	112.3	E462 S485	C459-E462 HydrophobicContact CB-CG 3.91Å; C459-E462 PolarHBondContact N-OE2 2.89Å; C459-E462 PolarHBondContact O-N 3.06Å; C459-S485 WeakPolarHBondContact O-CB 3.2Å; C459-S485 PolarHBondContact O-OG 2.92Å
460	E	96.2	Very high	97.6	Very high	149 Å²	149	48.7 Å²	48.7	70%	0.696	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	144.2	172.1	-70.6	-170.2	171.7	0	0	111.3	A411 E462	A411-E460 HydrophobicContact CB-CB 4.47Å; A411-E460 HydrophobicContact CB-CG 3.85Å; E460-E462 PolarHBondContact O-N 2.89Å; E460-E462 VanDerWaalsContact O-N 3.13Å
461	N	94.8	Very high	97.8	Very high	88 Å²	88	42.3 Å²	42.3	47%	0.471	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	61	14.2	178.5	-52	-47.1	0	0	0	115.1	S485 S486 T490 Q493	N461-S485 PolarHBondContact N-OG 3.49Å; N461-S486 PolarHBondContact N-OG 2.89Å; N461-S486 PolarHBondContact OD1-OG 2.85Å; N461-T490 HydrophobicContact CB-CG2 4.15Å; N461-Q493 PolarHBondContact O-NE2 2.85Å
462	E	97.2	Very high	97.9	Very high	35 Å²	35	41.9 Å²	41.9	16%	0.164	22%	0.218	C	C	.	.			trans	-78.8	156.8	165.1	-69.9	-170.7	142	0	0	111	R445 C459 E460 S485	R445-E462 IonicContact NH1-OE1 3.63Å; R445-E462 IonicContact NH2-OE1 3.69Å; R445-E462 IonicContact NH2-OE2 2.71Å; R445-E462 PolarHBondContact NH2-OE2 3.39Å; C459-E462 HydrophobicContact CB-CG 3.91Å; C459-E462 PolarHBondContact N-OE2 2.89Å; C459-E462 PolarHBondContact O-N 3.06Å; E460-E462 PolarHBondContact O-N 2.89Å; E460-E462 VanDerWaalsContact O-N 3.13Å; E462-S485 PolarHBondContact N-OG 2.85Å; E462-S485 PolarHBondContact O-N 3.02Å; E462-S485 PolarHBondContact O-OG 2.93Å
463	L	98.4	Very high	97.9	Very high	6 Å²	6	37.5 Å²	37.5	3%	0.031	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	147.4	159.1	-66.3	-177.7	0	0	0	108.9	A442 G443 T482 W483 P484 F489 Q493 I609 M611	A442-L463 CarbonylContact C-O 3.48Å; A442-L463 WeakPolarHBondContact CA-O 3.28Å; G443-L463 PolarHBondContact N-O 3.32Å; L463-T482 HydrophobicContact CB-CG2 3.87Å; L463-T482 HydrophobicContact CD1-CG2 3.87Å; L463-T482 HydrophobicContact CG-CG2 4.32Å; L463-W483 CarbonylContact C-O 3.59Å; L463-W483 WeakPolarHBondContact CA-O 3.44Å; L463-P484 HydrophobicContact CD2-CB 4.3Å; L463-F489 HydrophobicContact CD2-CD1 3.75Å; L463-F489 HydrophobicContact CD2-CE1 3.81Å; L463-Q493 HydrophobicContact CD1-CB 4.14Å; L463-Q493 HydrophobicContact CD1-CG 3.9Å; L463-Q493 HydrophobicContact CD2-CB 4.16Å; L463-Q493 HydrophobicContact CD2-CG 4.07Å; L463-Q493 HydrophobicContact CG-CB 4.33Å; L463-Q493 HydrophobicContact CG-CG 3.83Å; L463-I609 HydrophobicContact CD1-CG2 3.9Å; L463-M611 HydrophobicContact CD1-CE 3.75Å
464	I	98.6	Very high	97.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	120	168.6	-56.5	162.1	0	0	0	106	L418 V440 A442 I458 T482 W483	L418-I464 HydrophobicContact CD1-CD1 4.31Å; L418-I464 HydrophobicContact CD1-CG2 3.82Å; V440-I464 HydrophobicContact CG1-CG2 4.42Å; A442-I464 HydrophobicContact CB-CG1 4.25Å; I458-I464 HydrophobicContact CD1-CD1 4Å; I458-I464 HydrophobicContact CD1-CG1 4.32Å; I458-I464 HydrophobicContact CG2-CD1 3.91Å; I458-I464 HydrophobicContact CG2-CG1 3.89Å; I464-T482 CarbonylContact O-C 3.53Å; I464-T482 VanDerWaalsContact O-CA 3.24Å; I464-T482 WeakPolarHBondContact O-CA 3.23Å; I464-W483 HydrophobicContact CB-CD2 4.26Å; I464-W483 HydrophobicContact CB-CZ2 4.13Å; I464-W483 HydrophobicContact CG2-CH2 4.07Å; I464-W483 HydrophobicContact CG2-CZ2 3.66Å; I464-W483 PolarHBondContact N-O 3.38Å; I464-W483 PolarHBondContact O-N 3.03Å
465	L	98.8	Very high	97.9	Very high	5 Å²	5	32.5 Å²	32.5	3%	0.026	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	125.1	166.6	-176.8	160.4	0	0	0	107.6	V439 V440 G441 A446 T480 T482 Y594 R612	V439-L465 HydrophobicContact CG1-CD2 4.45Å; V440-L465 WeakPolarHBondContact CA-O 3.35Å; G441-L465 PolarHBondContact N-O 3.3Å; G441-L465 PolarHBondContact O-N 2.93Å; A446-L465 HydrophobicContact CB-CB 3.75Å; A446-L465 HydrophobicContact CB-CD1 4.24Å; L465-T480 HydrophobicContact CD2-CG2 3.95Å; L465-T480 HydrophobicContact CG-CG2 4.05Å; L465-T482 HydrophobicContact CB-CG2 4.47Å; L465-Y594 HydrophobicContact CD1-CE1 4.48Å; L465-R612 HydrophobicContact CD1-CB 4.03Å
466	M	98.8	Very high	98	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	124.2	170.8	-176.6	166.6	-159.1	0	0	110.7	M402 T405 M422 P438 V439 V440 A468 T480 R481 W483	M402-M466 HydrophobicContact CE-CB 4.29Å; M402-M466 HydrophobicContact CE-CG 3.87Å; M402-M466 HydrophobicContact CE-SD 4.29Å; M402-M466 HydrophobicContact SD-CB 4.2Å; M402-M466 HydrophobicContact SD-CG 4.14Å; M402-M466 HydrophobicContact SD-SD 4.08Å; T405-M466 HydrophobicContact CG2-SD 3.93Å; M422-M466 HydrophobicContact CB-CE 3.36Å; M422-M466 HydrophobicContact CB-SD 4.42Å; M422-M466 HydrophobicContact CG-CE 3.68Å; P438-M466 HydrophobicContact CB-CE 3.92Å; P438-M466 HydrophobicContact CG-CE 4.44Å; V439-M466 CarbonylContact O-C 3.51Å; V439-M466 VanDerWaalsContact O-CA 3.23Å; V439-M466 WeakPolarHBondContact O-CA 3.41Å; V440-M466 HydrophobicContact CG2-CB 4.48Å; V440-M466 HydrophobicContact CG2-CE 3.7Å; V440-M466 HydrophobicContact CG2-CG 3.91Å; V440-M466 HydrophobicContact CG2-SD 4.12Å; M466-A468 HydrophobicContact CE-CB 4.01Å; M466-A468 HydrophobicContact CG-CB 4.28Å; M466-T480 CarbonylContact O-C 3.55Å; M466-T480 VanDerWaalsContact O-CA 3.27Å; M466-T480 WeakPolarHBondContact O-CA 3.44Å; M466-T480 WeakPolarHBondContact O-CG2 3.19Å; M466-R481 PolarHBondContact N-O 3.46Å; M466-R481 PolarHBondContact O-N 2.97Å; M466-W483 HydrophobicContact CB-CH2 3.37Å; M466-W483 HydrophobicContact CB-CZ3 3.6Å; M466-W483 HydrophobicContact CG-CH2 4.33Å; M466-W483 HydrophobicContact SD-CH2 4.13Å
467	D	98.8	Very high	98	Very high	17 Å²	17	23.8 Å²	23.8	9%	0.091	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	118.2	168.5	-171	22	0	0	0	109	Y436 P438 V439 T480 R612	Y436-D467 PolarHBondContact OH-OD1 3.37Å; P438-D467 CarbonylContact C-O 3.54Å; P438-D467 VanDerWaalsContact CA-O 3.23Å; P438-D467 WeakPolarHBondContact CA-O 3.23Å; P438-D467 WeakPolarHBondContact CB-O 3.23Å; V439-D467 HydrophobicContact CB-CB 3.83Å; V439-D467 HydrophobicContact CG2-CB 4.22Å; V439-D467 PolarHBondContact N-O 2.69Å; V439-D467 PolarHBondContact O-N 3.03Å; D467-T480 HydrophobicContact CB-CG2 4.4Å; D467-T480 VanDerWaalsContact CG-OG1 3.29Å; D467-T480 PolarHBondContact OD1-OG1 3.31Å; D467-R612 IonicContact OD1-NH2 2.77Å; D467-R612 IonicContact OD2-CZ 2.77Å; D467-R612 IonicContact OD2-NH2 3.65Å; D467-R612 PolarHBondContact OD2-NH2 3.01Å
468	A	98.7	Very high	98	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	148.6	-178.7	0	0	0	0	0	112.8	M402 M422 Y436 P438 M466 I479	M402-A468 HydrophobicContact CE-CB 3.98Å; M422-A468 HydrophobicContact CE-CB 3.85Å; M422-A468 HydrophobicContact CG-CB 3.95Å; Y436-A468 WeakPolarHBondContact OH-CA 3.47Å; Y436-A468 PolarHBondContact OH-N 3.24Å; P438-A468 HydrophobicContact CB-CB 4.02Å; P438-A468 HydrophobicContact CG-CB 4.2Å; M466-A468 HydrophobicContact CE-CB 4.01Å; M466-A468 HydrophobicContact CG-CB 4.28Å; A468-I479 PolarHBondContact N-O 3.28Å; A468-I479 PolarHBondContact O-N 3.19Å
469	G	98.5	Very high	98.1	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.101	C	C	.	.			trans	-138.8	160.1	176.2	0	0	0	0	0	111.6	L434 A435 Y436 S477	L434-G469 WeakPolarHBondContact CA-O 3.39Å; A435-G469 PolarHBondContact N-O 3.32Å; Y436-G469 PolarHBondContact OH-N 3.45Å; G469-S477 WeakPolarHBondContact CA-O 3.17Å
470	C	98.7	Very high	98.1	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	163	174.2	67.3	0	0	0	0	111.9	V394 C426 A431 V476 S477	V394-C470 WeakPolarHBondContact CG2-O 3.26Å; V394-C470 VanDerWaalsContact CG2-SG 3.54Å; V394-C470 PolarHBondContact O-SG 2.67Å; V394-C470 VanDerWaalsContact O-SG 3.4Å; C426-C470 HydrophobicContact CB-CB 3.88Å; A431-C470 HydrophobicContact CB-CB 3.76Å; C470-V476 WeakPolarHBondContact O-CA 3.37Å; C470-S477 PolarHBondContact N-OG 3.48Å; C470-S477 VanDerWaalsContact N-OG 3.09Å; C470-S477 PolarHBondContact O-N 3.4Å; C470-S477 VanDerWaalsContact O-N 3.11Å; C470-S477 PolarHBondContact SG-OG 3.45Å; C470-S477 VanDerWaalsContact SG-OG 3.4Å
471	E	98.6	Very high	98.2	Very high	10 Å²	10	9 Å²	9	5%	0.047	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	128.3	179.6	-169.8	-179	129.1	0	0	110.7	R255 E432 K433 Y475 V476	R255-E471 IonicContact NE-OE2 3.48Å; E432-E471 PolarHBondContact N-O 2.71Å; K433-E471 WeakPolarHBondContact CE-OE1 3.4Å; K433-E471 WeakPolarHBondContact CE-OE2 3.43Å; K433-E471 HydrophobicContact CG-CB 4.18Å; K433-E471 IonicContact NZ-OE1 3.92Å; K433-E471 IonicContact NZ-OE2 3.74Å; K433-E471 PolarHBondContact NZ-OE2 2.94Å; K433-E471 PolarHBondContact O-N 3.25Å; E471-Y475 CarbonylContact C-O 3.52Å; E471-Y475 VanDerWaalsContact CA-O 3.31Å; E471-Y475 WeakPolarHBondContact CA-O 3.48Å; E471-V476 HydrophobicContact CB-CG1 4.08Å; E471-V476 HydrophobicContact CG-CG1 4Å
472	F	98.1	Very high	98.4	Very high	11 Å²	11	4.8 Å²	4.8	5%	0.048	3%	0.025	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	123.4	172.2	-179.4	-95.5	0	0	0	110.6	P207 L390 R393 V394 I397 G430 G474 Y475	P207-F472 HydrophobicContact CB-CE1 4.15Å; P207-F472 HydrophobicContact CB-CZ 4.38Å; L390-F472 HydrophobicContact CD2-CD1 3.89Å; L390-F472 HydrophobicContact CD2-CE1 3.81Å; R393-F472 HydrophobicContact CB-CD1 4.46Å; R393-F472 HydrophobicContact CG-CD1 4.06Å; R393-F472 HydrophobicContact CG-CE1 4.11Å; V394-F472 HydrophobicContact CB-CB 4.05Å; V394-F472 HydrophobicContact CG2-CB 3.99Å; I397-F472 HydrophobicContact CD1-CB 4.42Å; I397-F472 HydrophobicContact CD1-CD2 4.31Å; I397-F472 HydrophobicContact CD1-CG 4.4Å; G430-F472 VanDerWaalsContact O-CD2 3.28Å; G430-F472 WeakPolarHBondContact O-CD2 3.44Å; F472-G474 PolarHBondContact O-N 2.74Å; F472-G474 VanDerWaalsContact O-N 3.14Å; F472-Y475 PolarHBondContact N-O 2.85Å; F472-Y475 PolarHBondContact O-N 3.41Å; F472-Y475 VanDerWaalsContact O-N 3.1Å
473	G	96.7	Very high	98.5	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.017	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	18.6	-179.4	0	0	0	0	0	113.7	E432	E432-G473 PolarHBondContact OE1-N 3.1Å; E432-G473 VanDerWaalsContact OE1-N 3.07Å
474	G	97.1	Very high	98.5	Very high	5 Å²	5	2.8 Å²	2.8	5%	0.052	2%	0.015	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.5	-5.6	-175.2	0	0	0	0	0	115.6	F472 L567	F472-G474 PolarHBondContact O-N 2.74Å; F472-G474 VanDerWaalsContact O-N 3.14Å; G474-L567 WeakPolarHBondContact O-CA 3.32Å; G474-L567 WeakPolarHBondContact O-CD2 3.14Å
475	Y	98.7	Very high	98.4	Very high	3 Å²	3	3 Å²	3	1%	0.012	2%	0.017	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	150.6	175.8	-68.3	-94.9	0	0	0	110.4	I209 E387 L390 M391 E471 F472 G566 L567	I209-Y475 HydrophobicContact CD1-CE2 3.92Å; E387-Y475 HydrophobicContact CB-CE1 3.88Å; E387-Y475 HydrophobicContact CG-CE1 3.98Å; E387-Y475 VanDerWaalsContact CG-OH 3.24Å; E387-Y475 WeakPolarHBondContact CG-OH 3.49Å; E387-Y475 PolarHBondContact OE1-OH 3.27Å; L390-Y475 HydrophobicContact CB-CD2 3.73Å; L390-Y475 HydrophobicContact CB-CE2 4.39Å; L390-Y475 HydrophobicContact CB-CG 4.01Å; L390-Y475 HydrophobicContact CD1-CD2 3.38Å; L390-Y475 HydrophobicContact CD1-CE2 3.34Å; L390-Y475 HydrophobicContact CD1-CG 4.41Å; L390-Y475 HydrophobicContact CG-CD2 4.15Å; L390-Y475 HydrophobicContact CG-CE2 4.48Å; M391-Y475 HydrophobicContact CG-CD1 4.08Å; M391-Y475 HydrophobicContact SD-CD1 3.72Å; M391-Y475 HydrophobicContact SD-CG 4.15Å; E471-Y475 CarbonylContact C-O 3.52Å; E471-Y475 VanDerWaalsContact CA-O 3.31Å; E471-Y475 WeakPolarHBondContact CA-O 3.48Å; F472-Y475 PolarHBondContact N-O 2.85Å; F472-Y475 PolarHBondContact O-N 3.41Å; F472-Y475 VanDerWaalsContact O-N 3.1Å; Y475-G566 WeakPolarHBondContact CA-O 3.49Å; Y475-L567 HydrophobicContact CD1-CD2 4.22Å; Y475-L567 HydrophobicContact CD1-CG 4.47Å; Y475-L567 HydrophobicContact CD2-CD2 4.04Å; Y475-L567 HydrophobicContact CE1-CD2 3.89Å; Y475-L567 HydrophobicContact CE1-CG 3.98Å; Y475-L567 HydrophobicContact CE2-CD2 3.68Å; Y475-L567 HydrophobicContact CG-CD2 4.26Å
476	V	98.8	Very high	98.1	Very high	3 Å²	3	4.1 Å²	4.1	2%	0.018	3%	0.025	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	149.5	-173.2	-55.1	0	0	0	0	113.1	M391 A435 C470 E471 L565 G566 V569	M391-V476 VanDerWaalsContact CE-O 3.31Å; M391-V476 WeakPolarHBondContact CE-O 3.2Å; A435-V476 HydrophobicContact CB-CB 3.68Å; A435-V476 HydrophobicContact CB-CG1 3.67Å; C470-V476 WeakPolarHBondContact O-CA 3.37Å; E471-V476 HydrophobicContact CB-CG1 4.08Å; E471-V476 HydrophobicContact CG-CG1 4Å; V476-L565 HydrophobicContact CG2-CD1 3.8Å; V476-G566 WeakPolarHBondContact CG2-O 3.5Å; V476-G566 PolarHBondContact N-O 2.9Å; V476-V569 HydrophobicContact CG2-CB 4.42Å
477	S	98.8	Very high	97.8	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.049	C	C	.	.			trans	-98	162.5	164.4	50	0	0	0	0	111	V394 G469 C470 D616	V394-S477 PolarHBondContact O-OG 2.96Å; G469-S477 WeakPolarHBondContact CA-O 3.17Å; C470-S477 PolarHBondContact N-OG 3.48Å; C470-S477 VanDerWaalsContact N-OG 3.09Å; C470-S477 PolarHBondContact O-N 3.4Å; C470-S477 VanDerWaalsContact O-N 3.11Å; C470-S477 PolarHBondContact SG-OG 3.45Å; C470-S477 VanDerWaalsContact SG-OG 3.4Å; S477-D616 WeakPolarHBondContact CA-OD2 3.41Å
478	D	98.8	Very high	97.7	Very high	5 Å²	5	9.4 Å²	9.4	3%	0.027	6%	0.06	C	C	.	.			trans	-144.8	107.1	176.6	-157.6	5.7	0	0	0	110.4	Y436 H563 L565 V569 T588 D616	Y436-D478 WeakPolarHBondContact CE1-OD1 3.47Å; Y436-D478 PolarHBondContact OH-OD1 2.97Å; D478-H563 IonicContact OD2-CE1 3.79Å; D478-H563 PolarHBondContact OD2-CE1 3.4Å; D478-H563 IonicContact OD2-NE2 2.8Å; D478-H563 PolarHBondContact OD2-NE2 3.41Å; D478-L565 HydrophobicContact CB-CD1 4.01Å; D478-L565 HydrophobicContact CB-CD2 4.28Å; D478-V569 HydrophobicContact CB-CG2 4.32Å; D478-V569 WeakPolarHBondContact OD2-CG2 3.34Å; D478-T588 HydrophobicContact CB-CG2 3.84Å; D478-D616 PolarHBondContact N-OD2 3.39Å
479	I	98.8	Very high	97.7	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	115.5	-169.2	-48.9	176	0	0	0	110	M402 A468 R481 T628	M402-I479 VanDerWaalsContact CE-O 3.26Å; M402-I479 WeakPolarHBondContact CE-O 3.37Å; A468-I479 PolarHBondContact N-O 3.28Å; A468-I479 PolarHBondContact O-N 3.19Å; I479-R481 HydrophobicContact CG2-CG 4.38Å; I479-T628 HydrophobicContact CD1-CG2 3.5Å; I479-T628 HydrophobicContact CG1-CG2 3.66Å
480	T	98.9	Very high	97.6	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	132.2	164.7	-52.4	0	0	0	0	112.7	L465 M466 D467 R612 E614	L465-T480 HydrophobicContact CD2-CG2 3.95Å; L465-T480 HydrophobicContact CG-CG2 4.05Å; M466-T480 CarbonylContact O-C 3.55Å; M466-T480 VanDerWaalsContact O-CA 3.27Å; M466-T480 WeakPolarHBondContact O-CA 3.44Å; M466-T480 WeakPolarHBondContact O-CG2 3.19Å; D467-T480 HydrophobicContact CB-CG2 4.4Å; D467-T480 VanDerWaalsContact CG-OG1 3.29Å; D467-T480 PolarHBondContact OD1-OG1 3.31Å; T480-R612 HydrophobicContact CG2-CB 3.7Å; T480-R612 HydrophobicContact CG2-CG 3.89Å; T480-R612 PolarHBondContact OG1-NE 3.35Å; T480-R612 PolarHBondContact OG1-NH2 2.81Å; T480-E614 WeakPolarHBondContact CB-OE2 3.33Å; T480-E614 PolarHBondContact N-OE2 2.71Å; T480-E614 PolarHBondContact O-N 3.25Å; T480-E614 PolarHBondContact OG1-OE2 3.23Å
481	R	98.8	Very high	97.5	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	148.7	166.5	-67.4	-67	-179.7	-90.4	9	110.4	M402 I406 M466 I479 W483 E614 D615 C631 P632	M402-R481 HydrophobicContact CG-CB 4.28Å; M402-R481 HydrophobicContact CG-CG 3.82Å; M402-R481 HydrophobicContact SD-CB 4.21Å; M402-R481 HydrophobicContact SD-CG 4.36Å; I406-R481 HydrophobicContact CD1-CB 4.02Å; I406-R481 HydrophobicContact CD1-CG 4.1Å; M466-R481 PolarHBondContact N-O 3.46Å; M466-R481 PolarHBondContact O-N 2.97Å; I479-R481 HydrophobicContact CG2-CG 4.38Å; R481-W483 HydrophobicContact CB-CE3 3.89Å; R481-W483 HydrophobicContact CB-CZ3 3.84Å; R481-W483 WeakPolarHBondContact O-CZ3 3.2Å; R481-E614 PolarHBondContact NH1-O 2.68Å; R481-D615 IonicContact CZ-OD1 3.26Å; R481-D615 IonicContact NH1-OD1 3.4Å; R481-D615 IonicContact NH2-OD1 3.68Å; R481-D615 PolarHBondContact NH2-OD1 3.31Å; R481-D615 IonicContact NH2-OD2 2.71Å; R481-C631 PolarHBondContact NE-O 3.17Å; R481-C631 PolarHBondContact NE-SG 3.46Å; R481-C631 PolarHBondContact NH2-O 3.37Å; R481-P632 VanDerWaalsContact CD-O 3.23Å; R481-P632 WeakPolarHBondContact CD-O 3.24Å; R481-P632 PolarHBondContact NE-O 2.99Å; R481-P632 VanDerWaalsContact NE-O 3.09Å
482	T	98.8	Very high	97.5	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	130.2	170.4	-52.5	0	0	0	0	109.8	L463 I464 L465 Y497 M611 R612 L638	L463-T482 HydrophobicContact CB-CG2 3.87Å; L463-T482 HydrophobicContact CD1-CG2 3.87Å; L463-T482 HydrophobicContact CG-CG2 4.32Å; I464-T482 CarbonylContact O-C 3.53Å; I464-T482 VanDerWaalsContact O-CA 3.24Å; I464-T482 WeakPolarHBondContact O-CA 3.23Å; L465-T482 HydrophobicContact CB-CG2 4.47Å; T482-Y497 VanDerWaalsContact O-CE2 3.28Å; T482-Y497 WeakPolarHBondContact O-CE2 3.42Å; T482-M611 HydrophobicContact CG2-CB 3.8Å; T482-R612 PolarHBondContact OG1-N 3.42Å; T482-R612 PolarHBondContact OG1-O 3.46Å; T482-L638 WeakPolarHBondContact O-CD1 3.45Å
483	W	98.6	Very high	97.5	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	159.2	-177.8	65.2	94	0	0	0	112.1	M402 I406 S409 L418 L463 I464 M466 R481 L638	M402-W483 HydrophobicContact SD-CH2 4.16Å; M402-W483 HydrophobicContact SD-CZ3 4.04Å; I406-W483 HydrophobicContact CB-CD2 4.39Å; I406-W483 HydrophobicContact CD1-CD2 4.49Å; I406-W483 HydrophobicContact CD1-CE3 4.1Å; I406-W483 HydrophobicContact CD1-CZ3 4.26Å; I406-W483 HydrophobicContact CG1-CD2 3.71Å; I406-W483 HydrophobicContact CG1-CE3 3.64Å; I406-W483 HydrophobicContact CG1-CG 4.37Å; I406-W483 HydrophobicContact CG1-CH2 3.82Å; I406-W483 HydrophobicContact CG1-CZ2 3.92Å; I406-W483 HydrophobicContact CG1-CZ3 3.7Å; I406-W483 HydrophobicContact CG2-CB 4.43Å; I406-W483 HydrophobicContact CG2-CD2 4.21Å; I406-W483 HydrophobicContact CG2-CG 4Å; S409-W483 PolarHBondContact OG-NE1 2.87Å; L418-W483 HydrophobicContact CD1-CZ2 4.34Å; L463-W483 CarbonylContact C-O 3.59Å; L463-W483 WeakPolarHBondContact CA-O 3.44Å; I464-W483 HydrophobicContact CB-CD2 4.26Å; I464-W483 HydrophobicContact CB-CZ2 4.13Å; I464-W483 HydrophobicContact CG2-CH2 4.07Å; I464-W483 HydrophobicContact CG2-CZ2 3.66Å; I464-W483 PolarHBondContact N-O 3.38Å; I464-W483 PolarHBondContact O-N 3.03Å; M466-W483 HydrophobicContact CB-CH2 3.37Å; M466-W483 HydrophobicContact CB-CZ3 3.6Å; M466-W483 HydrophobicContact CG-CH2 4.33Å; M466-W483 HydrophobicContact SD-CH2 4.13Å; R481-W483 HydrophobicContact CB-CE3 3.89Å; R481-W483 HydrophobicContact CB-CZ3 3.84Å; R481-W483 WeakPolarHBondContact O-CZ3 3.2Å; W483-L638 HydrophobicContact CB-CD1 4.32Å; W483-L638 HydrophobicContact CB-CD2 4.19Å
484	P	97.9	Very high	97.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	139.9	177.8	29.4	-35.5	0	0	0	111.6	L463 S486 S488 F489 R642	L463-P484 HydrophobicContact CD2-CB 4.3Å; P484-S486 CarbonylContact C-O 3.57Å; P484-S486 PolarHBondContact O-N 3.18Å; P484-S488 WeakPolarHBondContact CB-O 3.46Å; P484-F489 VanDerWaalsContact CD-CE2 3.49Å; P484-F489 VanDerWaalsContact CD-CZ 3.49Å; P484-F489 HydrophobicContact CG-CD2 3.96Å; P484-F489 HydrophobicContact CG-CE2 4.08Å; P484-F489 HydrophobicContact CG-CG 4.24Å; P484-F489 HydrophobicContact CG-CZ 4.47Å; P484-R642 HydrophobicContact CG-CG 4.43Å; P484-R642 PolarHBondContact O-NE 2.74Å
485	S	96.9	Very high	97.6	Very high	4 Å²	4	20.6 Å²	20.6	3%	0.028	14%	0.137	C	C	.	.	S	Bend	trans	-63.8	-33.3	169	67.7	0	0	0	0	111.3	I458 C459 N461 E462 R642	I458-S485 VanDerWaalsContact CG2-CB 3.49Å; C459-S485 WeakPolarHBondContact O-CB 3.2Å; C459-S485 PolarHBondContact O-OG 2.92Å; N461-S485 PolarHBondContact N-OG 3.49Å; E462-S485 PolarHBondContact N-OG 2.85Å; E462-S485 PolarHBondContact O-N 3.02Å; E462-S485 PolarHBondContact O-OG 2.93Å; S485-R642 PolarHBondContact O-NH2 3.41Å
486	S	93.2	Very high	97.6	Very high	28 Å²	28	20.4 Å²	20.4	20%	0.196	14%	0.136	C	C	.	.	S	Bend	trans	-77.6	-177.8	169.2	-58.4	0	0	0	0	112.4	N461 P484 S488	N461-S486 PolarHBondContact N-OG 2.89Å; N461-S486 PolarHBondContact OD1-OG 2.85Å; P484-S486 CarbonylContact C-O 3.57Å; P484-S486 PolarHBondContact O-N 3.18Å; S486-S488 VanDerWaalsContact C-N 3.35Å; S486-S488 PolarHBondContact O-N 3.2Å
487	T	92.6	Very high	97.6	Very high	82 Å²	82	20.3 Å²	20.3	50%	0.503	14%	0.135	S	C	.	.	S	Bend	trans	-74.9	-19.4	179.8	51.5	0	0	0	0	114.7
488	S	96.1	Very high	97.5	Very high	46 Å²	46	23 Å²	23	32%	0.322	15%	0.15	S	C	.	.	S	Bend	trans	-143.3	153.9	-176.8	-73.8	0	0	0	0	112	P484 S486	P484-S488 WeakPolarHBondContact CB-O 3.46Å; S486-S488 VanDerWaalsContact C-N 3.35Å; S486-S488 PolarHBondContact O-N 3.2Å
489	F	98.1	Very high	97.5	Very high	18 Å²	18	23.5 Å²	23.5	8%	0.079	15%	0.153	C	C	.	.			trans	-68.5	141.1	172.2	-68.9	-99.8	0	0	0	110.3	L463 P484 Q493 A494 Y497 R635 L638 E639	L463-F489 HydrophobicContact CD2-CD1 3.75Å; L463-F489 HydrophobicContact CD2-CE1 3.81Å; P484-F489 VanDerWaalsContact CD-CE2 3.49Å; P484-F489 VanDerWaalsContact CD-CZ 3.49Å; P484-F489 HydrophobicContact CG-CD2 3.96Å; P484-F489 HydrophobicContact CG-CE2 4.08Å; P484-F489 HydrophobicContact CG-CG 4.24Å; P484-F489 HydrophobicContact CG-CZ 4.47Å; F489-Q493 HydrophobicContact CB-CB 4.32Å; F489-Q493 HydrophobicContact CD1-CB 4.09Å; F489-A494 HydrophobicContact CB-CB 3.88Å; F489-Y497 HydrophobicContact CD1-CD2 4.49Å; F489-Y497 AromaticContact CE1-CD2 3.5Å; F489-Y497 HydrophobicContact CE1-CD2 3.5Å; F489-Y497 HydrophobicContact CE1-CE2 4.02Å; F489-Y497 AromaticContact CE1-CG 3.83Å; F489-Y497 HydrophobicContact CE1-CG 3.83Å; F489-Y497 HydrophobicContact CZ-CD1 4.45Å; F489-Y497 AromaticContact CZ-CD2 3.82Å; F489-Y497 HydrophobicContact CZ-CD2 3.82Å; F489-Y497 AromaticContact CZ-CE2 3.91Å; F489-Y497 HydrophobicContact CZ-CE2 3.91Å; F489-Y497 HydrophobicContact CZ-CG 4.09Å; F489-R635 HydrophobicContact CD2-CB 4.22Å; F489-R635 HydrophobicContact CD2-CG 3.97Å; F489-R635 HydrophobicContact CE2-CB 4.01Å; F489-R635 HydrophobicContact CE2-CG 3.73Å; F489-R635 HydrophobicContact CZ-CG 4.13Å; F489-L638 HydrophobicContact CE2-CB 4.28Å; F489-L638 HydrophobicContact CE2-CD1 4.28Å; F489-L638 HydrophobicContact CZ-CD1 3.87Å; F489-E639 HydrophobicContact CD2-CG 4.02Å; F489-E639 HydrophobicContact CE2-CG 4.31Å; F489-E639 PolarHBondContact N-OE1 3.48Å
490	T	97.2	Very high	97.5	Very high	46 Å²	46	23.5 Å²	23.5	28%	0.282	15%	0.153	S	C	.	.			trans	-70.2	163.2	166.5	67.9	0	0	0	0	110.7	N461 Q493 A494	N461-T490 HydrophobicContact CB-CG2 4.15Å; T490-Q493 PolarHBondContact O-N 2.96Å; T490-Q493 VanDerWaalsContact O-N 3.17Å; T490-Q493 WeakPolarHBondContact OG1-CG 3.35Å; T490-Q493 PolarHBondContact OG1-OE1 2.98Å; T490-A494 WeakPolarHBondContact O-CB 3.48Å; T490-A494 PolarHBondContact O-N 3.01Å
491	G	97	Very high	97.5	Very high	57 Å²	57	26 Å²	26	59%	0.588	16%	0.162	S	C	*	.	H	α-helix	trans	-51.6	-53.9	-178.8	0	0	0	0	0	114.3	Q493 A494 L495	G491-Q493 PolarHBondContact O-N 3.29Å; G491-A494 PolarHBondContact O-N 3.38Å; G491-L495 PolarHBondContact O-N 2.9Å; G491-L495 VanDerWaalsContact O-N 3.09Å
492	P	97.1	Very high	97.5	Very high	42 Å²	42	29.7 Å²	29.7	27%	0.273	18%	0.182	S	C	.	.	H	α-helix	trans	-61.6	-39.5	177	-25.2	35.4	0	0	0	113.7	L495 L496 P605 F606 I609	P492-L495 PolarHBondContact O-N 2.7Å; P492-L496 PolarHBondContact O-N 3.15Å; P492-P605 HydrophobicContact CB-CB 4.21Å; P492-P605 WeakPolarHBondContact CB-O 3.24Å; P492-P605 HydrophobicContact CG-CB 3.8Å; P492-F606 HydrophobicContact CB-CD1 3.92Å; P492-F606 HydrophobicContact CB-CE1 3.91Å; P492-I609 HydrophobicContact CB-CD1 4.38Å
493	Q	98.2	Very high	97.5	Very high	13 Å²	13	29.7 Å²	29.7	6%	0.061	18%	0.182	C	C	.	.	H	α-helix	trans	-64.7	-46.3	177.5	-67.9	165	-11.4	0	0	111.4	N461 L463 F489 T490 G491 L495 L496 Y497 I609	N461-Q493 PolarHBondContact O-NE2 2.85Å; L463-Q493 HydrophobicContact CD1-CB 4.14Å; L463-Q493 HydrophobicContact CD1-CG 3.9Å; L463-Q493 HydrophobicContact CD2-CB 4.16Å; L463-Q493 HydrophobicContact CD2-CG 4.07Å; L463-Q493 HydrophobicContact CG-CB 4.33Å; L463-Q493 HydrophobicContact CG-CG 3.83Å; F489-Q493 HydrophobicContact CB-CB 4.32Å; F489-Q493 HydrophobicContact CD1-CB 4.09Å; T490-Q493 PolarHBondContact O-N 2.96Å; T490-Q493 VanDerWaalsContact O-N 3.17Å; T490-Q493 WeakPolarHBondContact OG1-CG 3.35Å; T490-Q493 PolarHBondContact OG1-OE1 2.98Å; G491-Q493 PolarHBondContact O-N 3.29Å; Q493-L495 VanDerWaalsContact C-N 3.31Å; Q493-L495 PolarHBondContact O-N 2.87Å; Q493-L496 PolarHBondContact O-N 2.81Å; Q493-Y497 VanDerWaalsContact O-CB 3.24Å; Q493-Y497 WeakPolarHBondContact O-CB 3.2Å; Q493-Y497 PolarHBondContact O-N 2.84Å; Q493-I609 HydrophobicContact CG-CD1 3.96Å
494	A	98.3	Very high	97.5	Very high	14 Å²	14	29.7 Å²	29.7	12%	0.116	18%	0.182	C	C	.	.	H	α-helix	trans	-60.5	-41.7	179	0	0	0	0	0	111.5	F489 T490 G491 Y497 D498	F489-A494 HydrophobicContact CB-CB 3.88Å; T490-A494 WeakPolarHBondContact O-CB 3.48Å; T490-A494 PolarHBondContact O-N 3.01Å; G491-A494 PolarHBondContact O-N 3.38Å; A494-Y497 PolarHBondContact O-N 3.33Å; A494-D498 PolarHBondContact O-N 2.9Å
495	L	98	Very high	97.6	Very high	71 Å²	71	33 Å²	33	37%	0.372	20%	0.2	S	C	.	.	H	α-helix	trans	-63.9	-45.1	179.8	-171.4	66	0	0	0	112.4	G491 P492 Q493 I499 V537 F606	G491-L495 PolarHBondContact O-N 2.9Å; G491-L495 VanDerWaalsContact O-N 3.09Å; P492-L495 PolarHBondContact O-N 2.7Å; Q493-L495 VanDerWaalsContact C-N 3.31Å; Q493-L495 PolarHBondContact O-N 2.87Å; L495-I499 PolarHBondContact O-N 2.92Å; L495-V537 HydrophobicContact CD1-CG1 3.65Å; L495-V537 HydrophobicContact CD2-CB 3.84Å; L495-V537 HydrophobicContact CD2-CG1 3.71Å; L495-V537 HydrophobicContact CG-CB 4.33Å; L495-V537 HydrophobicContact CG-CG1 3.71Å; L495-F606 HydrophobicContact CD2-CE1 4.04Å; L495-F606 HydrophobicContact CD2-CZ 3.92Å
496	L	98.3	Very high	97.6	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-68.4	-39.5	176.1	-70.9	-179.4	0	0	0	111.9	P492 Q493 D498 I499 L500 L534 I539 L593 F595 F606 I609 M611	P492-L496 PolarHBondContact O-N 3.15Å; Q493-L496 PolarHBondContact O-N 2.81Å; L496-D498 VanDerWaalsContact C-N 3.33Å; L496-D498 PolarHBondContact O-N 3.21Å; L496-I499 WeakPolarHBondContact O-CB 3.41Å; L496-I499 PolarHBondContact O-N 3.09Å; L496-L500 PolarHBondContact O-N 3.17Å; L496-L534 HydrophobicContact CD2-CD2 4.07Å; L496-I539 HydrophobicContact CD2-CD1 3.51Å; L496-L593 HydrophobicContact CB-CD1 4.44Å; L496-L593 HydrophobicContact CD2-CD1 4.33Å; L496-F595 HydrophobicContact CD1-CD2 3.7Å; L496-F595 HydrophobicContact CD1-CE2 3.57Å; L496-F595 HydrophobicContact CD2-CE2 3.64Å; L496-F595 HydrophobicContact CD2-CZ 4.21Å; L496-F595 HydrophobicContact CG-CE2 4.22Å; L496-F606 HydrophobicContact CD1-CB 4.19Å; L496-F606 HydrophobicContact CD1-CD1 3.68Å; L496-F606 HydrophobicContact CD1-CG 4.35Å; L496-F606 HydrophobicContact CD2-CD1 4Å; L496-F606 HydrophobicContact CD2-CE1 4.35Å; L496-F606 HydrophobicContact CG-CD1 3.68Å; L496-F606 HydrophobicContact CG-CE1 4.12Å; L496-I609 HydrophobicContact CD1-CB 4.14Å; L496-I609 HydrophobicContact CD1-CD1 4.04Å; L496-I609 HydrophobicContact CD1-CG2 3.89Å; L496-M611 VanDerWaalsContact C-SD 3.59Å; L496-M611 HydrophobicContact CB-CE 3.35Å; L496-M611 HydrophobicContact CB-SD 3.74Å; L496-M611 HydrophobicContact CD1-CE 4.09Å; L496-M611 HydrophobicContact CG-CE 4.39Å
497	Y	98.8	Very high	97.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62.1	-41.8	178.7	-166.5	-83.1	0	0	0	111.5	T482 F489 Q493 A494 I499 L500 Y501 I613 K633 R635 L638	T482-Y497 VanDerWaalsContact O-CE2 3.28Å; T482-Y497 WeakPolarHBondContact O-CE2 3.42Å; F489-Y497 HydrophobicContact CD1-CD2 4.49Å; F489-Y497 AromaticContact CE1-CD2 3.5Å; F489-Y497 HydrophobicContact CE1-CD2 3.5Å; F489-Y497 HydrophobicContact CE1-CE2 4.02Å; F489-Y497 AromaticContact CE1-CG 3.83Å; F489-Y497 HydrophobicContact CE1-CG 3.83Å; F489-Y497 HydrophobicContact CZ-CD1 4.45Å; F489-Y497 AromaticContact CZ-CD2 3.82Å; F489-Y497 HydrophobicContact CZ-CD2 3.82Å; F489-Y497 AromaticContact CZ-CE2 3.91Å; F489-Y497 HydrophobicContact CZ-CE2 3.91Å; F489-Y497 HydrophobicContact CZ-CG 4.09Å; Q493-Y497 VanDerWaalsContact O-CB 3.24Å; Q493-Y497 WeakPolarHBondContact O-CB 3.2Å; Q493-Y497 PolarHBondContact O-N 2.84Å; A494-Y497 PolarHBondContact O-N 3.33Å; Y497-I499 PolarHBondContact O-N 2.83Å; Y497-L500 PolarHBondContact O-N 3.47Å; Y497-Y501 VanDerWaalsContact O-CB 3.23Å; Y497-Y501 WeakPolarHBondContact O-CB 3.39Å; Y497-Y501 PolarHBondContact O-N 3.45Å; Y497-I613 HydrophobicContact CE1-CD1 3.92Å; Y497-I613 HydrophobicContact CE2-CD1 3.85Å; Y497-I613 HydrophobicContact CE2-CG1 4.15Å; Y497-I613 WeakPolarHBondContact OH-CD1 3.41Å; Y497-K633 VanDerWaalsContact CE1-O 3.25Å; Y497-K633 WeakPolarHBondContact CE1-O 3.37Å; Y497-K633 VanDerWaalsContact CZ-O 3.29Å; Y497-K633 PolarHBondContact OH-O 3.48Å; Y497-R635 HydrophobicContact CD1-CG 3.3Å; Y497-R635 HydrophobicContact CE1-CG 3.72Å; Y497-R635 HydrophobicContact CG-CG 4.04Å; Y497-L638 HydrophobicContact CE1-CD1 4.43Å; Y497-L638 HydrophobicContact CE2-CD1 4.17Å; Y497-L638 WeakPolarHBondContact OH-CD1 3.47Å
498	D	98.5	Very high	98.2	Very high	56 Å²	56	30 Å²	30	30%	0.299	18%	0.176	S	C	.	.	H	α-helix	trans	-62.9	-41.2	176.8	-74.3	-16.8	0	0	0	111.7	A494 L496 L500 Y501 D502 R635	A494-D498 PolarHBondContact O-N 2.9Å; L496-D498 VanDerWaalsContact C-N 3.33Å; L496-D498 PolarHBondContact O-N 3.21Å; D498-L500 VanDerWaalsContact C-N 3.32Å; D498-L500 PolarHBondContact O-N 2.97Å; D498-Y501 PolarHBondContact O-N 3.22Å; D498-D502 VanDerWaalsContact O-CB 3.26Å; D498-D502 WeakPolarHBondContact O-CB 3.45Å; D498-D502 PolarHBondContact O-N 3.02Å; D498-R635 IonicContact OD1-CZ 3.49Å; D498-R635 IonicContact OD1-NE 3.44Å; D498-R635 PolarHBondContact OD1-NE 3.03Å; D498-R635 IonicContact OD1-NH2 2.71Å; D498-R635 PolarHBondContact OD1-NH2 3.12Å; D498-R635 IonicContact OD2-CZ 3.98Å; D498-R635 IonicContact OD2-NE 2.87Å; D498-R635 PolarHBondContact OD2-NE 3.45Å; D498-R635 IonicContact OD2-NH2 2.66Å; D498-R635 PolarHBondContact OD2-NH2 2.86Å
499	I	98.6	Very high	98.3	Very high	17 Å²	17	30.2 Å²	30.2	9%	0.087	17%	0.174	C	C	.	.	H	α-helix	trans	-59.3	-45.9	173.9	-69.4	165.3	0	0	0	110.9	L495 L496 Y497 C503 L530 G533 L534 V537 L593	L495-I499 PolarHBondContact O-N 2.92Å; L496-I499 WeakPolarHBondContact O-CB 3.41Å; L496-I499 PolarHBondContact O-N 3.09Å; Y497-I499 PolarHBondContact O-N 2.83Å; I499-C503 WeakPolarHBondContact O-CB 3.29Å; I499-C503 PolarHBondContact O-N 2.94Å; I499-L530 HydrophobicContact CG2-CD2 4.39Å; I499-G533 WeakPolarHBondContact CD1-O 3.39Å; I499-L534 HydrophobicContact CD1-CD2 4.3Å; I499-V537 HydrophobicContact CD1-CG1 3.95Å; I499-V537 HydrophobicContact CD1-CG2 3.72Å; I499-L593 HydrophobicContact CG2-CD1 4.5Å
500	L	98.7	Very high	98.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-66.4	-46	-177.9	-171.8	60.9	0	0	0	111.9	L496 Y497 D498 C503 Q504 L530 P591 L593 M611 I613	L496-L500 PolarHBondContact O-N 3.17Å; Y497-L500 PolarHBondContact O-N 3.47Å; D498-L500 VanDerWaalsContact C-N 3.32Å; D498-L500 PolarHBondContact O-N 2.97Å; L500-C503 WeakPolarHBondContact O-CB 3.45Å; L500-C503 PolarHBondContact O-N 3.3Å; L500-Q504 PolarHBondContact O-N 2.97Å; L500-L530 HydrophobicContact CD1-CD2 4.04Å; L500-P591 HydrophobicContact CD1-CB 3.77Å; L500-P591 HydrophobicContact CD1-CG 4.05Å; L500-P591 WeakPolarHBondContact CD1-O 3.46Å; L500-L593 HydrophobicContact CB-CD1 4.32Å; L500-L593 HydrophobicContact CD1-CG 4.24Å; L500-M611 HydrophobicContact CB-SD 4.26Å; L500-M611 HydrophobicContact CD2-CB 4.01Å; L500-M611 HydrophobicContact CD2-CG 3.7Å; L500-M611 HydrophobicContact CD2-SD 3.9Å; L500-I613 HydrophobicContact CB-CD1 4.39Å; L500-I613 HydrophobicContact CD2-CD1 4.13Å; L500-I613 HydrophobicContact CD2-CG1 3.82Å; L500-I613 HydrophobicContact CG-CD1 4.05Å; L500-I613 HydrophobicContact CG-CG1 4.15Å
501	Y	98.7	Very high	98.4	Very high	52 Å²	52	27.5 Å²	27.5	20%	0.204	16%	0.158	C	C	.	.	H	α-helix	trans	-63.2	-47.2	178.9	-177.9	-118	0	0	0	111.7	Y497 D498 C503 Q504 L505 I613 K633	Y497-Y501 VanDerWaalsContact O-CB 3.23Å; Y497-Y501 WeakPolarHBondContact O-CB 3.39Å; Y497-Y501 PolarHBondContact O-N 3.45Å; D498-Y501 PolarHBondContact O-N 3.22Å; Y501-C503 PolarHBondContact O-N 3.22Å; Y501-Q504 PolarHBondContact O-N 3.08Å; Y501-L505 HydrophobicContact CD1-CD1 4.14Å; Y501-L505 HydrophobicContact CE1-CD1 3.6Å; Y501-L505 HydrophobicContact CE1-CG 4.37Å; Y501-L505 HydrophobicContact CE2-CD1 4.23Å; Y501-L505 HydrophobicContact CE2-CD2 4.29Å; Y501-L505 HydrophobicContact CE2-CG 4.18Å; Y501-L505 WeakPolarHBondContact O-CG 3.45Å; Y501-L505 PolarHBondContact O-N 3.18Å; Y501-I613 HydrophobicContact CD2-CD1 4.21Å; Y501-K633 HydrophobicContact CE2-CD 4.01Å; Y501-K633 HydrophobicContact CE2-CG 3.9Å
502	D	98.7	Very high	98.4	Very high	78 Å²	78	30.2 Å²	30.2	42%	0.417	15%	0.151	S	C	.	.	H	α-helix	trans	-60.9	-35.2	174.5	-80.5	-5.1	0	0	0	112	D498 H506	D498-D502 VanDerWaalsContact O-CB 3.26Å; D498-D502 WeakPolarHBondContact O-CB 3.45Å; D498-D502 PolarHBondContact O-N 3.02Å; D502-H506 VanDerWaalsContact O-CB 3.28Å; D502-H506 WeakPolarHBondContact O-CB 3Å; D502-H506 PolarHBondContact O-N 3.28Å; D502-H506 VanDerWaalsContact O-N 3.08Å
503	C	98.8	Very high	98.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.8	-50.4	174.1	-175.9	0	0	0	0	111.3	I499 L500 Y501 L505 H506 L507 R529 L530	I499-C503 WeakPolarHBondContact O-CB 3.29Å; I499-C503 PolarHBondContact O-N 2.94Å; L500-C503 WeakPolarHBondContact O-CB 3.45Å; L500-C503 PolarHBondContact O-N 3.3Å; Y501-C503 PolarHBondContact O-N 3.22Å; C503-L505 PolarHBondContact O-N 3.37Å; C503-H506 PolarHBondContact O-N 3.23Å; C503-L507 VanDerWaalsContact O-CG 3.26Å; C503-L507 WeakPolarHBondContact O-CG 3.18Å; C503-L507 PolarHBondContact O-N 3.35Å; C503-R529 HydrophobicContact CB-CG 3.85Å; C503-L530 HydrophobicContact CB-CD2 3.79Å; C503-L530 HydrophobicContact CB-CG 4.45Å
504	Q	98.8	Very high	98.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.3	-45.8	-179.8	-161.6	-157.5	42.5	0	0	111.8	L500 Y501 H506 L507 I508 V589 P591 I613 D615	L500-Q504 PolarHBondContact O-N 2.97Å; Y501-Q504 PolarHBondContact O-N 3.08Å; Q504-H506 VanDerWaalsContact C-N 3.33Å; Q504-H506 PolarHBondContact O-N 2.79Å; Q504-L507 PolarHBondContact O-N 3.09Å; Q504-I508 HydrophobicContact CG-CD1 4.09Å; Q504-I508 WeakPolarHBondContact O-CG1 3.48Å; Q504-I508 PolarHBondContact O-N 3.4Å; Q504-V589 HydrophobicContact CG-CG1 4.11Å; Q504-V589 PolarHBondContact NE2-O 3.28Å; Q504-V589 VanDerWaalsContact NE2-O 3.1Å; Q504-P591 HydrophobicContact CB-CG 3.68Å; Q504-P591 HydrophobicContact CG-CG 3.98Å; Q504-I613 PolarHBondContact NE2-O 3.15Å; Q504-D615 PolarHBondContact NE2-OD2 2.71Å; Q504-D615 PolarHBondContact OE1-OD2 3.1Å
505	L	98.6	Very high	98.2	Very high	70 Å²	70	44 Å²	44	37%	0.366	20%	0.198	S	C	.	.	H	α-helix	trans	-60.2	-42	177.6	-69.5	-176.3	0	0	0	112.1	Y501 C503 L507 I508 D509	Y501-L505 HydrophobicContact CD1-CD1 4.14Å; Y501-L505 HydrophobicContact CE1-CD1 3.6Å; Y501-L505 HydrophobicContact CE1-CG 4.37Å; Y501-L505 HydrophobicContact CE2-CD1 4.23Å; Y501-L505 HydrophobicContact CE2-CD2 4.29Å; Y501-L505 HydrophobicContact CE2-CG 4.18Å; Y501-L505 WeakPolarHBondContact O-CG 3.45Å; Y501-L505 PolarHBondContact O-N 3.18Å; C503-L505 PolarHBondContact O-N 3.37Å; L505-L507 VanDerWaalsContact C-N 3.34Å; L505-L507 PolarHBondContact O-N 3.4Å; L505-I508 PolarHBondContact O-N 3.04Å; L505-D509 WeakPolarHBondContact O-CB 3.24Å; L505-D509 PolarHBondContact O-N 3.32Å
506	H	98.8	Very high	98.1	Very high	44 Å²	44	41.2 Å²	41.2	20%	0.204	18%	0.184	C	C	.	.	H	α-helix	trans	-62.4	-39.3	177	175.7	84	0	0	0	112.6	D502 C503 Q504 G510 E525 R529	D502-H506 VanDerWaalsContact O-CB 3.28Å; D502-H506 WeakPolarHBondContact O-CB 3Å; D502-H506 PolarHBondContact O-N 3.28Å; D502-H506 VanDerWaalsContact O-N 3.08Å; C503-H506 PolarHBondContact O-N 3.23Å; Q504-H506 VanDerWaalsContact C-N 3.33Å; Q504-H506 PolarHBondContact O-N 2.79Å; H506-G510 PolarHBondContact O-N 2.73Å; H506-E525 IonicContact CD2-OE1 3.49Å; H506-E525 IonicContact CE1-OE1 2.68Å; H506-E525 IonicContact NE2-OE1 2.71Å; H506-E525 PolarHBondContact NE2-OE1 2.75Å; H506-R529 HydrophobicContact CB-CG 4.47Å
507	L	98.9	Very high	98	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-68.6	-47.5	177.7	-64.6	167.9	0	0	0	111.5	C503 Q504 L505 D509 G510 L511 L516 T522 E525 M526 V561 V589	C503-L507 VanDerWaalsContact O-CG 3.26Å; C503-L507 WeakPolarHBondContact O-CG 3.18Å; C503-L507 PolarHBondContact O-N 3.35Å; Q504-L507 PolarHBondContact O-N 3.09Å; L505-L507 VanDerWaalsContact C-N 3.34Å; L505-L507 PolarHBondContact O-N 3.4Å; L507-D509 VanDerWaalsContact C-N 3.31Å; L507-D509 PolarHBondContact O-N 2.82Å; L507-G510 PolarHBondContact O-N 3.33Å; L507-G510 VanDerWaalsContact O-N 3.11Å; L507-L511 WeakPolarHBondContact O-CG 3.25Å; L507-L511 PolarHBondContact O-N 3.41Å; L507-L516 HydrophobicContact CD2-CD1 3.97Å; L507-T522 HydrophobicContact CB-CG2 4.46Å; L507-T522 HydrophobicContact CD2-CG2 4.04Å; L507-E525 HydrophobicContact CD2-CB 3.97Å; L507-E525 HydrophobicContact CD2-CG 3.96Å; L507-M526 HydrophobicContact CD1-CB 3.77Å; L507-M526 HydrophobicContact CD1-CG 3.93Å; L507-M526 HydrophobicContact CD2-CB 4.08Å; L507-V561 HydrophobicContact CD1-CG2 3.79Å; L507-V589 HydrophobicContact CB-CG1 4Å; L507-V589 HydrophobicContact CD1-CG1 4.26Å
508	I	98.7	Very high	98	Very high	6 Å²	6	44.3 Å²	44.3	3%	0.031	21%	0.208	C	C	.	.	H	α-helix	trans	-60.9	-42	177	-66.9	173	0	0	0	110.5	Q504 L505 L511 R512 V589 V617 V624 V626	Q504-I508 HydrophobicContact CG-CD1 4.09Å; Q504-I508 WeakPolarHBondContact O-CG1 3.48Å; Q504-I508 PolarHBondContact O-N 3.4Å; L505-I508 PolarHBondContact O-N 3.04Å; I508-L511 PolarHBondContact O-N 2.86Å; I508-R512 WeakPolarHBondContact O-CB 3.42Å; I508-R512 PolarHBondContact O-N 3.37Å; I508-V589 HydrophobicContact CG1-CB 4.33Å; I508-V589 HydrophobicContact CG1-CG1 4.09Å; I508-V589 HydrophobicContact CG1-CG2 4.41Å; I508-V617 HydrophobicContact CD1-CG2 4.48Å; I508-V617 HydrophobicContact CG1-CG2 4.35Å; I508-V624 HydrophobicContact CG2-CG2 3.96Å; I508-V626 HydrophobicContact CD1-CG2 4.28Å; I508-V626 HydrophobicContact CG2-CG2 3.86Å
509	D	98.5	Very high	98	Very high	50 Å²	50	41.6 Å²	41.6	27%	0.267	19%	0.194	S	C	.	.	H	α-helix	trans	-63.7	-40.6	173.5	178.3	71.4	0	0	0	112.1	L505 L507 L511 R512 Q513 R515	L505-D509 WeakPolarHBondContact O-CB 3.24Å; L505-D509 PolarHBondContact O-N 3.32Å; L507-D509 VanDerWaalsContact C-N 3.31Å; L507-D509 PolarHBondContact O-N 2.82Å; D509-L511 VanDerWaalsContact C-N 3.34Å; D509-L511 PolarHBondContact O-N 3.39Å; D509-R512 WeakPolarHBondContact O-CB 3.1Å; D509-R512 PolarHBondContact O-N 2.99Å; D509-Q513 WeakPolarHBondContact O-CB 3.43Å; D509-Q513 VanDerWaalsContact O-CG 3.31Å; D509-Q513 WeakPolarHBondContact O-CG 3.41Å; D509-Q513 PolarHBondContact O-N 3.21Å; D509-Q513 PolarHBondContact OD1-NE2 3.2Å; D509-Q513 VanDerWaalsContact OD2-CD 3.23Å; D509-Q513 PolarHBondContact OD2-NE2 3.44Å; D509-R515 IonicContact OD2-CZ 3.33Å; D509-R515 IonicContact OD2-NH2 3.24Å; D509-R515 PolarHBondContact OD2-NH2 3.2Å
510	G	98.3	Very high	98	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.2	-40.1	175.6	0	0	0	0	0	113.4	H506 L507 R514 R515 L516	H506-G510 PolarHBondContact O-N 2.73Å; L507-G510 PolarHBondContact O-N 3.33Å; L507-G510 VanDerWaalsContact O-N 3.11Å; G510-R514 PolarHBondContact O-N 3Å; G510-R515 VanDerWaalsContact CA-CZ 3.49Å; G510-R515 VanDerWaalsContact CA-NH2 3.29Å; G510-R515 PolarHBondContact O-N 3.45Å; G510-L516 PolarHBondContact O-N 2.84Å; G510-L516 VanDerWaalsContact O-N 3.1Å
511	L	98.5	Very high	97.9	Very high	7 Å²	7	49.2 Å²	49.2	4%	0.037	23%	0.227	C	C	.	.	H	α-helix	trans	-66.3	-46.4	171.9	-67.8	165	0	0	0	110.9	L507 I508 D509 Q513 R514 L516 L581 I587 V589 V624	L507-L511 WeakPolarHBondContact O-CG 3.25Å; L507-L511 PolarHBondContact O-N 3.41Å; I508-L511 PolarHBondContact O-N 2.86Å; D509-L511 VanDerWaalsContact C-N 3.34Å; D509-L511 PolarHBondContact O-N 3.39Å; L511-Q513 VanDerWaalsContact C-N 3.31Å; L511-Q513 PolarHBondContact O-N 3.09Å; L511-R514 PolarHBondContact O-N 2.9Å; L511-L516 HydrophobicContact CD2-CB 4.07Å; L511-L516 HydrophobicContact CG-CB 4.38Å; L511-L581 HydrophobicContact CD2-CD1 3.66Å; L511-I587 HydrophobicContact CD1-CD1 3.97Å; L511-I587 HydrophobicContact CD2-CD1 4.3Å; L511-V589 HydrophobicContact CD1-CG2 3.75Å; L511-V624 HydrophobicContact CB-CG1 3.8Å
512	R	97.9	Very high	97.9	Very high	115 Å²	115	46.8 Å²	46.8	43%	0.434	22%	0.218	S	C	.	.	H	α-helix	trans	-56.7	-44.1	178.2	-170	173.3	-74.3	147.7	-2.5	112.3	I508 D509 R514 G623 V624	I508-R512 WeakPolarHBondContact O-CB 3.42Å; I508-R512 PolarHBondContact O-N 3.37Å; D509-R512 WeakPolarHBondContact O-CB 3.1Å; D509-R512 PolarHBondContact O-N 2.99Å; R512-R514 PolarHBondContact O-N 2.84Å; R512-G623 WeakPolarHBondContact O-CA 3.4Å; R512-V624 HydrophobicContact CB-CG2 3.75Å; R512-V624 HydrophobicContact CG-CG2 4.19Å
513	Q	97	Very high	97.9	Very high	108 Å²	108	45.6 Å²	45.6	51%	0.505	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	1.6	179.7	-63.9	180	8.2	0	0	113.1	D509 L511 R515	D509-Q513 WeakPolarHBondContact O-CB 3.43Å; D509-Q513 VanDerWaalsContact O-CG 3.31Å; D509-Q513 WeakPolarHBondContact O-CG 3.41Å; D509-Q513 PolarHBondContact O-N 3.21Å; D509-Q513 PolarHBondContact OD1-NE2 3.2Å; D509-Q513 VanDerWaalsContact OD2-CD 3.23Å; D509-Q513 PolarHBondContact OD2-NE2 3.44Å; L511-Q513 VanDerWaalsContact C-N 3.31Å; L511-Q513 PolarHBondContact O-N 3.09Å; Q513-R515 HydrophobicContact CB-CG 4.16Å; Q513-R515 PolarHBondContact O-N 3.01Å; Q513-R515 VanDerWaalsContact O-N 3.17Å
514	R	94.5	Very high	97.9	Very high	134 Å²	134	49.9 Å²	49.9	51%	0.506	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	25	-176.7	-55.2	-178.5	175.8	-98.7	0.9	114	G510 L511 R512 L516 T620 D621	G510-R514 PolarHBondContact O-N 3Å; L511-R514 PolarHBondContact O-N 2.9Å; R512-R514 PolarHBondContact O-N 2.84Å; R514-L516 VanDerWaalsContact C-N 3.34Å; R514-T620 PolarHBondContact NH2-O 2.9Å; R514-T620 VanDerWaalsContact NH2-O 3.1Å; R514-D621 VanDerWaalsContact NH2-C 3.29Å; R514-D621 PolarHBondContact NH2-O 2.83Å
515	R	96.2	Very high	97.9	Very high	115 Å²	115	52.7 Å²	52.7	43%	0.434	24%	0.242	S	C	.	.	S	Bend	trans	-72.9	-32.5	169	-66.8	-174.2	-72.7	101.7	-5.4	111.1	D509 G510 Q513	D509-R515 IonicContact OD2-CZ 3.33Å; D509-R515 IonicContact OD2-NH2 3.24Å; D509-R515 PolarHBondContact OD2-NH2 3.2Å; G510-R515 VanDerWaalsContact CA-CZ 3.49Å; G510-R515 VanDerWaalsContact CA-NH2 3.29Å; G510-R515 PolarHBondContact O-N 3.45Å; Q513-R515 HydrophobicContact CB-CG 4.16Å; Q513-R515 PolarHBondContact O-N 3.01Å; Q513-R515 VanDerWaalsContact O-N 3.17Å
516	L	97.3	Very high	97.9	Very high	14 Å²	14	49.3 Å²	49.3	7%	0.073	23%	0.225	C	C	.	.			trans	-106.7	115.4	175	-57.1	175.8	0	0	0	108.1	L507 G510 L511 R514 T522 E525	L507-L516 HydrophobicContact CD2-CD1 3.97Å; G510-L516 PolarHBondContact O-N 2.84Å; G510-L516 VanDerWaalsContact O-N 3.1Å; L511-L516 HydrophobicContact CD2-CB 4.07Å; L511-L516 HydrophobicContact CG-CB 4.38Å; R514-L516 VanDerWaalsContact C-N 3.34Å; L516-T522 HydrophobicContact CD1-CG2 4.09Å; L516-E525 HydrophobicContact CD1-CB 4.25Å; L516-E525 HydrophobicContact CD1-CG 4.17Å; L516-E525 HydrophobicContact CD2-CB 3.76Å; L516-E525 HydrophobicContact CD2-CG 3.99Å
517	G	95.8	Very high	97.9	Very high	34 Å²	34	47.6 Å²	47.6	35%	0.351	22%	0.217	S	C	.	.			trans	-100.9	-14.6	-168.9	0	0	0	0	0	114.7	S521 P580 L581	G517-S521 PolarHBondContact N-OG 3.46Å; G517-P580 CarbonylContact O-C 3.5Å; G517-P580 WeakPolarHBondContact O-CA 3.44Å; G517-L581 PolarHBondContact O-N 2.73Å
518	D	98.2	Very high	97.8	Very high	30 Å²	30	50 Å²	50	16%	0.16	23%	0.231	C	C	.	.	S	Bend	trans	-156.1	167.5	-173.3	64.3	83.6	0	0	0	111	R520 S521 T522 R579	D518-R520 VanDerWaalsContact C-N 3.32Å; D518-R520 PolarHBondContact O-N 2.87Å; D518-R520 WeakPolarHBondContact OD1-CA 3.33Å; D518-R520 VanDerWaalsContact OD1-CB 3.25Å; D518-R520 WeakPolarHBondContact OD1-CB 3.35Å; D518-R520 PolarHBondContact OD1-N 3.16Å; D518-S521 PolarHBondContact N-OG 2.87Å; D518-S521 PolarHBondContact O-OG 3.35Å; D518-S521 VanDerWaalsContact O-OG 3.13Å; D518-S521 PolarHBondContact OD1-N 2.81Å; D518-S521 PolarHBondContact OD1-OG 3.05Å; D518-S521 WeakPolarHBondContact OD2-CB 3.15Å; D518-S521 PolarHBondContact OD2-OG 3.33Å; D518-T522 WeakPolarHBondContact O-CB 3.49Å; D518-T522 PolarHBondContact O-N 3.24Å; D518-T522 VanDerWaalsContact O-N 3.08Å; D518-T522 PolarHBondContact O-OG1 3.13Å; D518-R579 WeakPolarHBondContact CB-O 3.37Å
519	L	98.4	Very high	97.8	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64.8	-35.4	-178.5	-82.6	173.7	0	0	0	111.8	Y523 H560 V561 Y564 K577 I587	L519-Y523 WeakPolarHBondContact O-CB 3.16Å; L519-Y523 PolarHBondContact O-N 3.03Å; L519-H560 PolarHBondContact O-CE1 3.02Å; L519-H560 VanDerWaalsContact O-CE1 3.26Å; L519-V561 HydrophobicContact CD2-CG1 4.38Å; L519-Y564 HydrophobicContact CD1-CD1 4.05Å; L519-Y564 HydrophobicContact CD1-CE1 3.65Å; L519-Y564 HydrophobicContact CD1-CE2 4.33Å; L519-Y564 HydrophobicContact CG-CE1 4.37Å; L519-K577 WeakPolarHBondContact CA-O 3.44Å; L519-K577 HydrophobicContact CB-CB 3.97Å; L519-K577 HydrophobicContact CB-CG 4.45Å; L519-K577 WeakPolarHBondContact CB-O 3.41Å; L519-K577 HydrophobicContact CD1-CD 4.44Å; L519-K577 HydrophobicContact CD1-CG 4.23Å; L519-K577 PolarHBondContact N-O 3.04Å; L519-I587 HydrophobicContact CD1-CG2 4.18Å; L519-I587 HydrophobicContact CD2-CB 4.14Å; L519-I587 HydrophobicContact CD2-CD1 3.95Å; L519-I587 HydrophobicContact CD2-CG2 4Å; L519-I587 HydrophobicContact CG-CG2 4.15Å
520	R	98.1	Very high	97.8	Very high	138 Å²	138	51.5 Å²	51.5	52%	0.521	23%	0.233	S	C	.	.	H	α-helix	trans	-68.4	-47.1	-180	-178.2	-168.4	-63.6	-102.2	7.4	111.4	D518 T522 Y523 M524 K577 D578	D518-R520 VanDerWaalsContact C-N 3.32Å; D518-R520 PolarHBondContact O-N 2.87Å; D518-R520 WeakPolarHBondContact OD1-CA 3.33Å; D518-R520 VanDerWaalsContact OD1-CB 3.25Å; D518-R520 WeakPolarHBondContact OD1-CB 3.35Å; D518-R520 PolarHBondContact OD1-N 3.16Å; R520-T522 VanDerWaalsContact C-N 3.31Å; R520-T522 PolarHBondContact O-N 3.03Å; R520-Y523 WeakPolarHBondContact O-CB 3.36Å; R520-Y523 PolarHBondContact O-N 3.47Å; R520-M524 WeakPolarHBondContact O-CG 3.3Å; R520-M524 PolarHBondContact O-N 3.4Å; R520-K577 PolarHBondContact N-O 3.33Å; R520-D578 HydrophobicContact CB-CB 4.3Å; R520-D578 IonicContact CZ-OD2 2.8Å; R520-D578 IonicContact NE-OD2 2.62Å; R520-D578 PolarHBondContact NE-OD2 3.18Å; R520-D578 IonicContact NH2-OD2 3.5Å; R520-D578 PolarHBondContact NH2-OD2 3.05Å
521	S	97.8	Very high	97.8	Very high	38 Å²	38	51.5 Å²	51.5	27%	0.266	23%	0.233	S	C	.	.	H	α-helix	trans	-63.9	-38.5	176.5	53.4	0	0	0	0	111.6	G517 D518 Y523 M524 E525	G517-S521 PolarHBondContact N-OG 3.46Å; D518-S521 PolarHBondContact N-OG 2.87Å; D518-S521 PolarHBondContact O-OG 3.35Å; D518-S521 VanDerWaalsContact O-OG 3.13Å; D518-S521 PolarHBondContact OD1-N 2.81Å; D518-S521 PolarHBondContact OD1-OG 3.05Å; D518-S521 WeakPolarHBondContact OD2-CB 3.15Å; D518-S521 PolarHBondContact OD2-OG 3.33Å; S521-Y523 VanDerWaalsContact C-N 3.35Å; S521-Y523 PolarHBondContact O-N 3.14Å; S521-M524 PolarHBondContact O-N 2.73Å; S521-E525 PolarHBondContact O-N 3.33Å
522	T	98.6	Very high	97.8	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.006	25%	0.253	C	S	.	.	H	α-helix	trans	-61.8	-40.6	173.3	-52.3	0	0	0	0	112	L507 L516 D518 R520 E525 M526 V561	L507-T522 HydrophobicContact CB-CG2 4.46Å; L507-T522 HydrophobicContact CD2-CG2 4.04Å; L516-T522 HydrophobicContact CD1-CG2 4.09Å; D518-T522 WeakPolarHBondContact O-CB 3.49Å; D518-T522 PolarHBondContact O-N 3.24Å; D518-T522 VanDerWaalsContact O-N 3.08Å; D518-T522 PolarHBondContact O-OG1 3.13Å; R520-T522 VanDerWaalsContact C-N 3.31Å; R520-T522 PolarHBondContact O-N 3.03Å; T522-E525 PolarHBondContact O-N 2.81Å; T522-M526 PolarHBondContact O-N 3.07Å; T522-V561 HydrophobicContact CG2-CG1 3.9Å; T522-V561 HydrophobicContact CG2-CG2 3.9Å
523	Y	98.6	Very high	97.8	Very high	53 Å²	53	50.5 Å²	50.5	21%	0.208	24%	0.24	C	C	.	.	H	α-helix	trans	-63.8	-44.4	176.2	173.5	-113.3	0	0	0	112.7	L519 R520 S521 E525 M526 L527 H559 H560 V561	L519-Y523 WeakPolarHBondContact O-CB 3.16Å; L519-Y523 PolarHBondContact O-N 3.03Å; R520-Y523 WeakPolarHBondContact O-CB 3.36Å; R520-Y523 PolarHBondContact O-N 3.47Å; S521-Y523 VanDerWaalsContact C-N 3.35Å; S521-Y523 PolarHBondContact O-N 3.14Å; Y523-E525 VanDerWaalsContact C-N 3.31Å; Y523-E525 PolarHBondContact O-N 2.81Å; Y523-M526 HydrophobicContact CD2-CE 3.52Å; Y523-M526 HydrophobicContact CE2-CE 3.63Å; Y523-M526 WeakPolarHBondContact O-CB 3.34Å; Y523-M526 PolarHBondContact O-N 2.96Å; Y523-L527 HydrophobicContact CD1-CD1 4.49Å; Y523-L527 HydrophobicContact CD2-CG 4.48Å; Y523-L527 HydrophobicContact CE1-CD1 3.81Å; Y523-L527 HydrophobicContact CE1-CG 4.44Å; Y523-L527 HydrophobicContact CE2-CD1 4.16Å; Y523-L527 HydrophobicContact CE2-CD2 4.01Å; Y523-L527 HydrophobicContact CE2-CG 4.04Å; Y523-L527 PolarHBondContact O-N 3.45Å; Y523-L527 VanDerWaalsContact O-N 3.13Å; Y523-H559 VanDerWaalsContact CE2-O 3.3Å; Y523-H559 WeakPolarHBondContact CE2-O 3.38Å; Y523-H560 AromaticContact CG-CD2 3.96Å; Y523-H560 AromaticContact CG-NE2 3.92Å; Y523-V561 HydrophobicContact CD2-CB 4.34Å
524	M	98.1	Very high	97.8	Very high	90 Å²	90	45.4 Å²	45.4	44%	0.443	22%	0.216	S	C	.	.	H	α-helix	trans	-62.6	-41.6	177.2	-64	-64.2	-71.5	0	0	111.2	R520 S521 L527 V528 L550	R520-M524 WeakPolarHBondContact O-CG 3.3Å; R520-M524 PolarHBondContact O-N 3.4Å; S521-M524 PolarHBondContact O-N 2.73Å; M524-L527 PolarHBondContact O-N 2.95Å; M524-V528 WeakPolarHBondContact O-CG2 3.44Å; M524-V528 PolarHBondContact O-N 2.8Å; M524-V528 VanDerWaalsContact O-N 3.17Å; M524-L550 HydrophobicContact CE-CD1 4.45Å; M524-L550 HydrophobicContact CE-CD2 3.66Å
525	E	98.4	Very high	98	Very high	59 Å²	59	40.1 Å²	40.1	28%	0.276	20%	0.197	S	C	.	.	H	α-helix	trans	-63.2	-40.4	176.1	-172.1	64.8	-165.8	0	0	112	H506 L507 L516 S521 T522 Y523 L527 V528 R529	H506-E525 IonicContact CD2-OE1 3.49Å; H506-E525 IonicContact CE1-OE1 2.68Å; H506-E525 IonicContact NE2-OE1 2.71Å; H506-E525 PolarHBondContact NE2-OE1 2.75Å; L507-E525 HydrophobicContact CD2-CB 3.97Å; L507-E525 HydrophobicContact CD2-CG 3.96Å; L516-E525 HydrophobicContact CD1-CB 4.25Å; L516-E525 HydrophobicContact CD1-CG 4.17Å; L516-E525 HydrophobicContact CD2-CB 3.76Å; L516-E525 HydrophobicContact CD2-CG 3.99Å; S521-E525 PolarHBondContact O-N 3.33Å; T522-E525 PolarHBondContact O-N 2.81Å; Y523-E525 VanDerWaalsContact C-N 3.31Å; Y523-E525 PolarHBondContact O-N 2.81Å; E525-L527 PolarHBondContact O-N 3.18Å; E525-V528 PolarHBondContact O-N 2.75Å; E525-R529 WeakPolarHBondContact O-CB 3.42Å; E525-R529 PolarHBondContact O-N 3.33Å
526	M	98.7	Very high	98	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-57.7	-50.2	175.8	178.8	-173.1	77	0	0	111.2	L507 T522 Y523 V528 R529 L530 C557 V561 P591	L507-M526 HydrophobicContact CD1-CB 3.77Å; L507-M526 HydrophobicContact CD1-CG 3.93Å; L507-M526 HydrophobicContact CD2-CB 4.08Å; T522-M526 PolarHBondContact O-N 3.07Å; Y523-M526 HydrophobicContact CD2-CE 3.52Å; Y523-M526 HydrophobicContact CE2-CE 3.63Å; Y523-M526 WeakPolarHBondContact O-CB 3.34Å; Y523-M526 PolarHBondContact O-N 2.96Å; M526-V528 VanDerWaalsContact C-N 3.29Å; M526-V528 PolarHBondContact O-N 2.95Å; M526-R529 PolarHBondContact O-N 3.41Å; M526-L530 HydrophobicContact CG-CD1 3.94Å; M526-L530 HydrophobicContact CG-CG 4.32Å; M526-L530 WeakPolarHBondContact O-CB 3.35Å; M526-L530 WeakPolarHBondContact O-CG 3.37Å; M526-L530 PolarHBondContact O-N 3.17Å; M526-C557 VanDerWaalsContact CE-SG 3.5Å; M526-V561 HydrophobicContact CB-CB 4.4Å; M526-V561 HydrophobicContact CB-CG2 4.01Å; M526-V561 HydrophobicContact CE-CB 4.16Å; M526-V561 HydrophobicContact CG-CG2 4.24Å; M526-V561 HydrophobicContact SD-CB 3.66Å; M526-V561 HydrophobicContact SD-CG2 3.53Å; M526-V561 VanDerWaalsContact SD-CG2 3.53Å; M526-P591 HydrophobicContact CG-CB 3.96Å; M526-P591 HydrophobicContact SD-CB 3.75Å
527	L	98.6	Very high	97.9	Very high	7 Å²	7	39.8 Å²	39.8	4%	0.037	21%	0.212	C	C	.	.	H	α-helix	trans	-62.7	-37.5	-179.2	-64.3	-174.4	0	0	0	112.3	Y523 M524 E525 G531 L550 S553 C557	Y523-L527 HydrophobicContact CD1-CD1 4.49Å; Y523-L527 HydrophobicContact CD2-CG 4.48Å; Y523-L527 HydrophobicContact CE1-CD1 3.81Å; Y523-L527 HydrophobicContact CE1-CG 4.44Å; Y523-L527 HydrophobicContact CE2-CD1 4.16Å; Y523-L527 HydrophobicContact CE2-CD2 4.01Å; Y523-L527 HydrophobicContact CE2-CG 4.04Å; Y523-L527 PolarHBondContact O-N 3.45Å; Y523-L527 VanDerWaalsContact O-N 3.13Å; M524-L527 PolarHBondContact O-N 2.95Å; E525-L527 PolarHBondContact O-N 3.18Å; L527-G531 PolarHBondContact O-N 3.2Å; L527-L550 HydrophobicContact CB-CD1 3.42Å; L527-L550 VanDerWaalsContact CB-CD1 3.42Å; L527-L550 HydrophobicContact CD1-CD1 3.71Å; L527-L550 HydrophobicContact CD1-CG 4.24Å; L527-L550 HydrophobicContact CG-CD1 4.24Å; L527-S553 VanDerWaalsContact O-CB 3.23Å; L527-S553 WeakPolarHBondContact O-CB 3.44Å; L527-S553 PolarHBondContact O-OG 3.49Å; L527-C557 HydrophobicContact CD2-CB 4.38Å
528	V	98.1	Very high	97.8	Very high	50 Å²	50	40.7 Å²	40.7	30%	0.303	22%	0.22	S	C	.	.	H	α-helix	trans	-64.5	-48.4	174.6	171	0	0	0	0	110.5	M524 E525 M526 G531 L532 M549 L550	M524-V528 WeakPolarHBondContact O-CG2 3.44Å; M524-V528 PolarHBondContact O-N 2.8Å; M524-V528 VanDerWaalsContact O-N 3.17Å; E525-V528 PolarHBondContact O-N 2.75Å; M526-V528 VanDerWaalsContact C-N 3.29Å; M526-V528 PolarHBondContact O-N 2.95Å; V528-G531 PolarHBondContact O-N 3.24Å; V528-L532 HydrophobicContact CG1-CD1 4.03Å; V528-L532 HydrophobicContact CG1-CG 4.47Å; V528-L532 WeakPolarHBondContact O-CG 3.42Å; V528-L532 PolarHBondContact O-N 3.22Å; V528-M549 HydrophobicContact CG1-CE 4.32Å; V528-L550 HydrophobicContact CG2-CD1 4.37Å
529	R	98.3	Very high	97.7	Very high	87 Å²	87	39.7 Å²	39.7	33%	0.328	22%	0.215	S	C	.	.	H	α-helix	trans	-65	-44.3	-177.2	-175.9	60.4	-179.6	-174.7	4.6	112.4	C503 H506 E525 M526 L532 G533	C503-R529 HydrophobicContact CB-CG 3.85Å; H506-R529 HydrophobicContact CB-CG 4.47Å; E525-R529 WeakPolarHBondContact O-CB 3.42Å; E525-R529 PolarHBondContact O-N 3.33Å; M526-R529 PolarHBondContact O-N 3.41Å; R529-L532 PolarHBondContact O-N 2.94Å; R529-G533 PolarHBondContact O-N 2.97Å
530	L	98.6	Very high	97.6	Very high	1 Å²	1	40 Å²	40	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-60.4	-45.5	172.6	-67.7	177.1	0	0	0	110.9	I499 L500 C503 M526 L532 G533 L534 C557 L593	I499-L530 HydrophobicContact CG2-CD2 4.39Å; L500-L530 HydrophobicContact CD1-CD2 4.04Å; C503-L530 HydrophobicContact CB-CD2 3.79Å; C503-L530 HydrophobicContact CB-CG 4.45Å; M526-L530 HydrophobicContact CG-CD1 3.94Å; M526-L530 HydrophobicContact CG-CG 4.32Å; M526-L530 WeakPolarHBondContact O-CB 3.35Å; M526-L530 WeakPolarHBondContact O-CG 3.37Å; M526-L530 PolarHBondContact O-N 3.17Å; L530-L532 PolarHBondContact O-N 3.16Å; L530-G533 PolarHBondContact O-N 2.77Å; L530-L534 WeakPolarHBondContact O-CB 3.5Å; L530-L534 VanDerWaalsContact O-CG 3.24Å; L530-L534 WeakPolarHBondContact O-CG 3.34Å; L530-L534 PolarHBondContact O-N 3.05Å; L530-C557 HydrophobicContact CD1-CB 3.99Å; L530-L593 HydrophobicContact CD1-CD2 4.37Å; L530-L593 HydrophobicContact CD2-CD2 4.09Å; L530-L593 HydrophobicContact CD2-CG 4.34Å
531	G	98.1	Very high	97.5	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-58	-47.2	178.9	0	0	0	0	0	113	L527 V528 L534 Q535 S553	L527-G531 PolarHBondContact O-N 3.2Å; V528-G531 PolarHBondContact O-N 3.24Å; G531-L534 PolarHBondContact O-N 2.96Å; G531-Q535 WeakPolarHBondContact O-CG 3.38Å; G531-Q535 PolarHBondContact O-N 2.97Å; G531-S553 VanDerWaalsContact CA-OG 3.23Å; G531-S553 WeakPolarHBondContact CA-OG 3.45Å; G531-S553 PolarHBondContact N-OG 3.44Å
532	L	97.9	Very high	97.3	Very high	87 Å²	87	42 Å²	42	46%	0.455	23%	0.23	S	C	.	.	H	α-helix	trans	-63.3	-42.1	176	-69.7	173.4	0	0	0	112.3	V528 R529 L530 Q535 S536 M549	V528-L532 HydrophobicContact CG1-CD1 4.03Å; V528-L532 HydrophobicContact CG1-CG 4.47Å; V528-L532 WeakPolarHBondContact O-CG 3.42Å; V528-L532 PolarHBondContact O-N 3.22Å; R529-L532 PolarHBondContact O-N 2.94Å; L530-L532 PolarHBondContact O-N 3.16Å; L532-Q535 PolarHBondContact O-N 3.48Å; L532-S536 PolarHBondContact O-N 2.82Å; L532-M549 HydrophobicContact CD2-SD 4.3Å; L532-M549 HydrophobicContact CG-SD 4.44Å
533	G	98.1	Very high	97.1	Very high	15 Å²	15	48.6 Å²	48.6	16%	0.155	27%	0.265	C	S	.	.	H	α-helix	trans	-58.9	-48.7	175	0	0	0	0	0	111.5	I499 R529 L530 Q535 S536 V537	I499-G533 WeakPolarHBondContact CD1-O 3.39Å; R529-G533 PolarHBondContact O-N 2.97Å; L530-G533 PolarHBondContact O-N 2.77Å; G533-Q535 VanDerWaalsContact C-N 3.34Å; G533-Q535 PolarHBondContact O-N 3.41Å; G533-S536 WeakPolarHBondContact O-CB 3.25Å; G533-S536 PolarHBondContact O-N 3.39Å; G533-S536 VanDerWaalsContact O-N 3.11Å; G533-S536 PolarHBondContact O-OG 2.97Å; G533-V537 PolarHBondContact O-N 3.44Å
534	L	98.1	Very high	96.9	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-67.1	-31.6	178.9	-64	172.5	0	0	0	113.2	L496 I499 L530 G531 V537 G538 I539 L540 I556 L593 F595	L496-L534 HydrophobicContact CD2-CD2 4.07Å; I499-L534 HydrophobicContact CD1-CD2 4.3Å; L530-L534 WeakPolarHBondContact O-CB 3.5Å; L530-L534 VanDerWaalsContact O-CG 3.24Å; L530-L534 WeakPolarHBondContact O-CG 3.34Å; L530-L534 PolarHBondContact O-N 3.05Å; G531-L534 PolarHBondContact O-N 2.96Å; L534-V537 WeakPolarHBondContact O-CG2 3.31Å; L534-G538 PolarHBondContact O-N 2.9Å; L534-I539 HydrophobicContact CB-CB 4.32Å; L534-I539 HydrophobicContact CD2-CB 4.32Å; L534-I539 HydrophobicContact CD2-CD1 3.82Å; L534-I539 HydrophobicContact CD2-CG2 4.29Å; L534-I539 PolarHBondContact O-N 3.26Å; L534-L540 HydrophobicContact CB-CB 4.27Å; L534-L540 HydrophobicContact CB-CD1 3.94Å; L534-L540 HydrophobicContact CB-CG 3.79Å; L534-L540 HydrophobicContact CD1-CD1 4.06Å; L534-L540 HydrophobicContact CD1-CG 4.3Å; L534-L540 PolarHBondContact O-N 2.79Å; L534-I556 HydrophobicContact CD1-CD1 3.8Å; L534-I556 HydrophobicContact CD1-CG2 4.37Å; L534-L593 HydrophobicContact CD1-CD2 4.09Å; L534-L593 HydrophobicContact CD2-CD2 4.36Å; L534-F595 HydrophobicContact CD1-CZ 4.38Å; L534-F595 HydrophobicContact CD2-CZ 3.79Å
535	Q	97.1	Very high	96.7	Very high	23 Å²	23	52.8 Å²	52.8	11%	0.107	28%	0.278	C	S	.	.	H	α-helix	trans	-67.8	-34.8	170.8	-77.3	-176	-29.3	0	0	112.8	G531 L532 G533 V537 G538 L540 P541	G531-Q535 WeakPolarHBondContact O-CG 3.38Å; G531-Q535 PolarHBondContact O-N 2.97Å; L532-Q535 PolarHBondContact O-N 3.48Å; G533-Q535 VanDerWaalsContact C-N 3.34Å; G533-Q535 PolarHBondContact O-N 3.41Å; Q535-V537 PolarHBondContact O-N 2.9Å; Q535-G538 PolarHBondContact O-N 3.46Å; Q535-L540 WeakPolarHBondContact CA-O 3.38Å; Q535-L540 HydrophobicContact CG-CB 3.8Å; Q535-P541 PolarHBondContact NE2-O 2.99Å
536	S	96.4	Very high	96.4	Very high	82 Å²	82	53.7 Å²	53.7	57%	0.573	30%	0.295	S	S	*	.	H	α-helix	trans	-64.5	-29.9	-178.9	80	0	0	0	0	112.6	L532 G533	L532-S536 PolarHBondContact O-N 2.82Å; G533-S536 WeakPolarHBondContact O-CB 3.25Å; G533-S536 PolarHBondContact O-N 3.39Å; G533-S536 VanDerWaalsContact O-N 3.11Å; G533-S536 PolarHBondContact O-OG 2.97Å
537	V	95.5	Very high	96.3	Very high	41 Å²	41	56.7 Å²	56.7	25%	0.248	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101	3.4	179.2	-59.2	0	0	0	0	113.9	L495 I499 G533 L534 Q535 I539	L495-V537 HydrophobicContact CD1-CG1 3.65Å; L495-V537 HydrophobicContact CD2-CB 3.84Å; L495-V537 HydrophobicContact CD2-CG1 3.71Å; L495-V537 HydrophobicContact CG-CB 4.33Å; L495-V537 HydrophobicContact CG-CG1 3.71Å; I499-V537 HydrophobicContact CD1-CG1 3.95Å; I499-V537 HydrophobicContact CD1-CG2 3.72Å; G533-V537 PolarHBondContact O-N 3.44Å; L534-V537 WeakPolarHBondContact O-CG2 3.31Å; Q535-V537 PolarHBondContact O-N 2.9Å; V537-I539 VanDerWaalsContact C-N 3.34Å; V537-I539 HydrophobicContact CG2-CB 4.36Å; V537-I539 HydrophobicContact CG2-CD1 3.78Å; V537-I539 HydrophobicContact CG2-CG1 3.91Å; V537-I539 PolarHBondContact O-N 2.86Å
538	G	94.6	Very high	96.2	Very high	52 Å²	52	58.3 Å²	58.3	54%	0.536	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	13.6	175.5	0	0	0	0	0	115.6	L534 Q535	L534-G538 PolarHBondContact O-N 2.9Å; Q535-G538 PolarHBondContact O-N 3.46Å
539	I	96.3	Very high	96.1	Very high	10 Å²	10	56.6 Å²	56.6	5%	0.051	32%	0.317	C	S	.	.	S	Bend	trans	-72.2	-43.6	170.8	-67.9	169.8	0	0	0	109.7	L496 L534 V537 I602 P603 F606	L496-I539 HydrophobicContact CD2-CD1 3.51Å; L534-I539 HydrophobicContact CB-CB 4.32Å; L534-I539 HydrophobicContact CD2-CB 4.32Å; L534-I539 HydrophobicContact CD2-CD1 3.82Å; L534-I539 HydrophobicContact CD2-CG2 4.29Å; L534-I539 PolarHBondContact O-N 3.26Å; V537-I539 VanDerWaalsContact C-N 3.34Å; V537-I539 HydrophobicContact CG2-CB 4.36Å; V537-I539 HydrophobicContact CG2-CD1 3.78Å; V537-I539 HydrophobicContact CG2-CG1 3.91Å; V537-I539 PolarHBondContact O-N 2.86Å; I539-I602 HydrophobicContact CG2-CD1 3.93Å; I539-P603 HydrophobicContact CG1-CG 4.4Å; I539-F606 HydrophobicContact CD1-CB 4.46Å; I539-F606 HydrophobicContact CD1-CD1 3.98Å; I539-F606 HydrophobicContact CD1-CD2 3.65Å; I539-F606 HydrophobicContact CD1-CE1 4.07Å; I539-F606 HydrophobicContact CD1-CE2 3.76Å; I539-F606 HydrophobicContact CD1-CG 3.76Å; I539-F606 HydrophobicContact CD1-CZ 3.97Å; I539-F606 HydrophobicContact CG1-CD2 3.65Å; I539-F606 HydrophobicContact CG1-CE2 3.62Å; I539-F606 HydrophobicContact CG1-CG 4.28Å; I539-F606 HydrophobicContact CG1-CZ 4.21Å
540	L	96.1	Very high	96	Very high	6 Å²	6	54.9 Å²	54.9	3%	0.031	31%	0.314	C	S	.	.	S	Bend	trans	-101.8	142.2	171.1	-65.5	-175	0	0	0	111	L534 Q535 K542 F544 M552 I556	L534-L540 HydrophobicContact CB-CB 4.27Å; L534-L540 HydrophobicContact CB-CD1 3.94Å; L534-L540 HydrophobicContact CB-CG 3.79Å; L534-L540 HydrophobicContact CD1-CD1 4.06Å; L534-L540 HydrophobicContact CD1-CG 4.3Å; L534-L540 PolarHBondContact O-N 2.79Å; Q535-L540 WeakPolarHBondContact CA-O 3.38Å; Q535-L540 HydrophobicContact CG-CB 3.8Å; L540-K542 PolarHBondContact O-N 2.91Å; L540-F544 HydrophobicContact CD2-CE2 4.15Å; L540-M552 HydrophobicContact CD1-CB 4.46Å; L540-M552 HydrophobicContact CD2-CB 4.17Å; L540-I556 HydrophobicContact CD2-CD1 4.14Å
541	P	95	Very high	95.9	Very high	54 Å²	54	60.4 Å²	60.4	35%	0.351	34%	0.34	S	S	.	.			trans	-63	132.5	175.5	-23.6	34.7	0	0	0	112.8	Q535 N543 F544	Q535-P541 PolarHBondContact NE2-O 2.99Å; P541-N543 WeakPolarHBondContact CB-OD1 3.33Å; P541-N543 PolarHBondContact O-N 2.84Å; P541-F544 HydrophobicContact CB-CD1 3.77Å; P541-F544 HydrophobicContact CB-CE1 3.86Å; P541-F544 HydrophobicContact CB-CG 4.35Å; P541-F544 HydrophobicContact CB-CZ 4.47Å; P541-F544 VanDerWaalsContact CD-CZ 3.44Å; P541-F544 HydrophobicContact CG-CD1 3.92Å; P541-F544 HydrophobicContact CG-CE1 3.46Å; P541-F544 VanDerWaalsContact CG-CE1 3.46Å; P541-F544 HydrophobicContact CG-CE2 4.38Å; P541-F544 HydrophobicContact CG-CZ 3.74Å; P541-F544 PolarHBondContact O-N 2.74Å
542	K	94.8	Very high	95.8	Very high	163 Å²	163	61.9 Å²	61.9	71%	0.709	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-21.8	178.2	-67.1	-174.9	178.1	-178.8	0	114.1	L540	L540-K542 PolarHBondContact O-N 2.91Å
543	N	94.1	Very high	95.8	Very high	140 Å²	140	57.8 Å²	57.8	75%	0.749	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	4.6	-178.6	67.6	-33.1	0	0	0	113.6	P541 R545	P541-N543 WeakPolarHBondContact CB-OD1 3.33Å; P541-N543 PolarHBondContact O-N 2.84Å; N543-R545 PolarHBondContact O-N 3.38Å
544	F	93.5	Very high	95.7	Very high	63 Å²	63	58 Å²	58	28%	0.276	33%	0.329	S	S	.	.			trans	-55.5	137.4	171.4	-84.9	2.9	0	0	0	111.2	L540 P541 D548 M549 M552	L540-F544 HydrophobicContact CD2-CE2 4.15Å; P541-F544 HydrophobicContact CB-CD1 3.77Å; P541-F544 HydrophobicContact CB-CE1 3.86Å; P541-F544 HydrophobicContact CB-CG 4.35Å; P541-F544 HydrophobicContact CB-CZ 4.47Å; P541-F544 VanDerWaalsContact CD-CZ 3.44Å; P541-F544 HydrophobicContact CG-CD1 3.92Å; P541-F544 HydrophobicContact CG-CE1 3.46Å; P541-F544 VanDerWaalsContact CG-CE1 3.46Å; P541-F544 HydrophobicContact CG-CE2 4.38Å; P541-F544 HydrophobicContact CG-CZ 3.74Å; P541-F544 PolarHBondContact O-N 2.74Å; F544-D548 HydrophobicContact CB-CB 4.35Å; F544-D548 HydrophobicContact CD2-CB 4.43Å; F544-D548 HydrophobicContact CG-CB 4.24Å; F544-M549 HydrophobicContact CB-CB 4.24Å; F544-M549 HydrophobicContact CD2-CB 4.41Å; F544-M552 HydrophobicContact CE2-CB 4.18Å; F544-M552 HydrophobicContact CE2-CG 3.72Å; F544-M552 HydrophobicContact CZ-CG 4.28Å
545	R	94.3	Very high	95.6	Very high	169 Å²	169	63.7 Å²	63.7	64%	0.638	35%	0.353	S	S	*	.			trans	-67.6	155.6	166	-53.5	175.6	-61	156.7	6.7	108.1	N543 A547 D548 M549	N543-R545 PolarHBondContact O-N 3.38Å; R545-A547 PolarHBondContact O-N 3.24Å; R545-A547 VanDerWaalsContact O-N 3.13Å; R545-D548 WeakPolarHBondContact CB-OD2 3.31Å; R545-D548 WeakPolarHBondContact CG-OD2 3.3Å; R545-D548 IonicContact CZ-OD1 3.98Å; R545-D548 IonicContact CZ-OD2 3.2Å; R545-D548 PolarHBondContact N-OD2 3.37Å; R545-D548 IonicContact NE-OD1 3.9Å; R545-D548 IonicContact NE-OD2 3.94Å; R545-D548 PolarHBondContact NE-OD2 2.77Å; R545-D548 IonicContact NH2-OD1 2.87Å; R545-D548 PolarHBondContact NH2-OD1 2.91Å; R545-D548 IonicContact NH2-OD2 2.67Å; R545-D548 PolarHBondContact NH2-OD2 3.17Å; R545-D548 PolarHBondContact O-N 3.08Å; R545-M549 PolarHBondContact O-N 3.31Å
546	A	92.9	Very high	95.6	Very high	78 Å²	78	62.6 Å²	62.6	65%	0.645	35%	0.348	S	S	*	.	H	α-helix	trans	-52.5	-39.7	-179.9	0	0	0	0	0	113.1	L550	A546-L550 WeakPolarHBondContact O-CB 3.45Å; A546-L550 PolarHBondContact O-N 3.49Å
547	A	95.6	Very high	95.7	Very high	62 Å²	62	58.7 Å²	58.7	51%	0.512	32%	0.321	S	S	.	.	H	α-helix	trans	-66.1	-40.3	177.4	0	0	0	0	0	113.2	R545 L550 Q551	R545-A547 PolarHBondContact O-N 3.24Å; R545-A547 VanDerWaalsContact O-N 3.13Å; A547-L550 PolarHBondContact O-N 3.17Å; A547-Q551 WeakPolarHBondContact O-CB 3.5Å; A547-Q551 PolarHBondContact O-N 3.03Å
548	D	96.6	Very high	95.7	Very high	41 Å²	41	60.6 Å²	60.6	22%	0.219	33%	0.334	C	S	.	.	H	α-helix	trans	-69.8	-41.2	179.7	-53.5	-40.4	0	0	0	110.3	F544 R545 Q551 M552	F544-D548 HydrophobicContact CB-CB 4.35Å; F544-D548 HydrophobicContact CD2-CB 4.43Å; F544-D548 HydrophobicContact CG-CB 4.24Å; R545-D548 WeakPolarHBondContact CB-OD2 3.31Å; R545-D548 WeakPolarHBondContact CG-OD2 3.3Å; R545-D548 IonicContact CZ-OD1 3.98Å; R545-D548 IonicContact CZ-OD2 3.2Å; R545-D548 PolarHBondContact N-OD2 3.37Å; R545-D548 IonicContact NE-OD1 3.9Å; R545-D548 IonicContact NE-OD2 3.94Å; R545-D548 PolarHBondContact NE-OD2 2.77Å; R545-D548 IonicContact NH2-OD1 2.87Å; R545-D548 PolarHBondContact NH2-OD1 2.91Å; R545-D548 IonicContact NH2-OD2 2.67Å; R545-D548 PolarHBondContact NH2-OD2 3.17Å; R545-D548 PolarHBondContact O-N 3.08Å; D548-Q551 PolarHBondContact O-N 3.05Å; D548-M552 WeakPolarHBondContact O-CB 3.27Å; D548-M552 WeakPolarHBondContact O-CG 3.04Å; D548-M552 PolarHBondContact O-N 3.18Å
549	M	96.6	Very high	95.8	Very high	15 Å²	15	59.4 Å²	59.4	7%	0.074	32%	0.315	C	S	.	.	H	α-helix	trans	-59.4	-49.4	173.4	-176.4	-174.8	72.6	0	0	110.9	V528 L532 F544 R545 Q551 M552 S553	V528-M549 HydrophobicContact CG1-CE 4.32Å; L532-M549 HydrophobicContact CD2-SD 4.3Å; L532-M549 HydrophobicContact CG-SD 4.44Å; F544-M549 HydrophobicContact CB-CB 4.24Å; F544-M549 HydrophobicContact CD2-CB 4.41Å; R545-M549 PolarHBondContact O-N 3.31Å; M549-Q551 VanDerWaalsContact C-N 3.34Å; M549-Q551 PolarHBondContact O-N 2.93Å; M549-M552 PolarHBondContact O-N 2.92Å; M549-S553 WeakPolarHBondContact O-CB 3.38Å; M549-S553 PolarHBondContact O-N 3.13Å; M549-S553 PolarHBondContact O-OG 3.06Å; M549-S553 VanDerWaalsContact O-OG 3.13Å
550	L	96.1	Very high	95.9	Very high	50 Å²	50	61 Å²	61	26%	0.262	32%	0.322	S	S	.	.	H	α-helix	trans	-61.3	-43.1	179.9	-171.8	73.7	0	0	0	111.9	M524 L527 V528 A546 A547 M552 S553 G554	M524-L550 HydrophobicContact CE-CD1 4.45Å; M524-L550 HydrophobicContact CE-CD2 3.66Å; L527-L550 HydrophobicContact CB-CD1 3.42Å; L527-L550 VanDerWaalsContact CB-CD1 3.42Å; L527-L550 HydrophobicContact CD1-CD1 3.71Å; L527-L550 HydrophobicContact CD1-CG 4.24Å; L527-L550 HydrophobicContact CG-CD1 4.24Å; V528-L550 HydrophobicContact CG2-CD1 4.37Å; A546-L550 WeakPolarHBondContact O-CB 3.45Å; A546-L550 PolarHBondContact O-N 3.49Å; A547-L550 PolarHBondContact O-N 3.17Å; L550-M552 VanDerWaalsContact C-N 3.35Å; L550-M552 PolarHBondContact O-N 3.41Å; L550-S553 PolarHBondContact O-N 3.25Å; L550-G554 PolarHBondContact O-N 3.19Å
551	Q	96.7	Very high	96	Very high	117 Å²	117	60.8 Å²	60.8	55%	0.547	32%	0.32	S	S	.	.	H	α-helix	trans	-61.3	-43.5	176.7	-173.9	-177.3	18.7	0	0	111.5	A547 D548 M549 G554 K555	A547-Q551 WeakPolarHBondContact O-CB 3.5Å; A547-Q551 PolarHBondContact O-N 3.03Å; D548-Q551 PolarHBondContact O-N 3.05Å; M549-Q551 VanDerWaalsContact C-N 3.34Å; M549-Q551 PolarHBondContact O-N 2.93Å; Q551-G554 PolarHBondContact O-N 3.29Å; Q551-K555 WeakPolarHBondContact O-CG 3.47Å; Q551-K555 PolarHBondContact O-N 3.27Å; Q551-K555 VanDerWaalsContact O-N 3.12Å
552	M	96.5	Very high	96.1	Very high	31 Å²	31	58.2 Å²	58.2	15%	0.153	30%	0.304	C	S	.	.	H	α-helix	trans	-70.2	-41.3	178.8	-71.8	-59	-63.5	0	0	112.3	L540 F544 D548 M549 L550 G554 K555 I556 D601	L540-M552 HydrophobicContact CD1-CB 4.46Å; L540-M552 HydrophobicContact CD2-CB 4.17Å; F544-M552 HydrophobicContact CE2-CB 4.18Å; F544-M552 HydrophobicContact CE2-CG 3.72Å; F544-M552 HydrophobicContact CZ-CG 4.28Å; D548-M552 WeakPolarHBondContact O-CB 3.27Å; D548-M552 WeakPolarHBondContact O-CG 3.04Å; D548-M552 PolarHBondContact O-N 3.18Å; M549-M552 PolarHBondContact O-N 2.92Å; L550-M552 VanDerWaalsContact C-N 3.35Å; L550-M552 PolarHBondContact O-N 3.41Å; M552-G554 VanDerWaalsContact C-N 3.29Å; M552-G554 PolarHBondContact O-N 3.05Å; M552-K555 PolarHBondContact O-N 3.48Å; M552-K555 VanDerWaalsContact O-N 3.14Å; M552-K555 HydrophobicContact SD-CD 4.03Å; M552-I556 WeakPolarHBondContact O-CG1 3.24Å; M552-I556 PolarHBondContact O-N 2.94Å; M552-D601 WeakPolarHBondContact CE-OD2 3.25Å
553	S	96.8	Very high	96.3	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.007	27%	0.274	C	S	.	.	H	α-helix	trans	-57	-43.3	171.4	-64.6	0	0	0	0	111.6	L527 G531 M549 L550 K555 I556 C557	L527-S553 VanDerWaalsContact O-CB 3.23Å; L527-S553 WeakPolarHBondContact O-CB 3.44Å; L527-S553 PolarHBondContact O-OG 3.49Å; G531-S553 VanDerWaalsContact CA-OG 3.23Å; G531-S553 WeakPolarHBondContact CA-OG 3.45Å; G531-S553 PolarHBondContact N-OG 3.44Å; M549-S553 WeakPolarHBondContact O-CB 3.38Å; M549-S553 PolarHBondContact O-N 3.13Å; M549-S553 PolarHBondContact O-OG 3.06Å; M549-S553 VanDerWaalsContact O-OG 3.13Å; L550-S553 PolarHBondContact O-N 3.25Å; S553-K555 VanDerWaalsContact C-N 3.3Å; S553-K555 PolarHBondContact O-N 3.34Å; S553-I556 PolarHBondContact O-N 3.26Å; S553-I556 VanDerWaalsContact O-N 3.17Å; S553-C557 PolarHBondContact O-N 3.46Å
554	G	96	Very high	96.5	Very high	21 Å²	21	44.9 Å²	44.9	22%	0.216	24%	0.239	C	C	.	.	H	α-helix	trans	-67.8	-25.4	177.7	0	0	0	0	0	114.1	L550 Q551 M552 C557 P558	L550-G554 PolarHBondContact O-N 3.19Å; Q551-G554 PolarHBondContact O-N 3.29Å; M552-G554 VanDerWaalsContact C-N 3.29Å; M552-G554 PolarHBondContact O-N 3.05Å; G554-C557 CarbonylContact O-C 3.51Å; G554-C557 VanDerWaalsContact O-O 3.13Å; G554-P558 WeakPolarHBondContact O-CA 3.48Å
555	K	96.3	Very high	96.7	Very high	118 Å²	118	41.9 Å²	41.9	51%	0.513	23%	0.226	S	C	.	.	H	α-helix	trans	-76.4	-32.7	170.4	-71.8	178.7	-177.9	178.3	0	112.6	Q551 M552 S553	Q551-K555 WeakPolarHBondContact O-CG 3.47Å; Q551-K555 PolarHBondContact O-N 3.27Å; Q551-K555 VanDerWaalsContact O-N 3.12Å; M552-K555 PolarHBondContact O-N 3.48Å; M552-K555 VanDerWaalsContact O-N 3.14Å; M552-K555 HydrophobicContact SD-CD 4.03Å; S553-K555 VanDerWaalsContact C-N 3.3Å; S553-K555 PolarHBondContact O-N 3.34Å
556	I	97.3	Very high	96.9	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-79.3	-35.1	179.5	-69.2	163.6	0	0	0	111.2	L534 L540 M552 S553 P558 L593 Y594 F595 I602	L534-I556 HydrophobicContact CD1-CD1 3.8Å; L534-I556 HydrophobicContact CD1-CG2 4.37Å; L540-I556 HydrophobicContact CD2-CD1 4.14Å; M552-I556 WeakPolarHBondContact O-CG1 3.24Å; M552-I556 PolarHBondContact O-N 2.94Å; S553-I556 PolarHBondContact O-N 3.26Å; S553-I556 VanDerWaalsContact O-N 3.17Å; I556-P558 WeakPolarHBondContact O-CD 3.43Å; I556-L593 HydrophobicContact CG2-CD2 3.59Å; I556-Y594 WeakPolarHBondContact O-CD2 3.46Å; I556-Y594 PolarHBondContact O-N 3.03Å; I556-F595 HydrophobicContact CB-CE1 4.35Å; I556-F595 HydrophobicContact CD1-CE1 3.95Å; I556-F595 HydrophobicContact CG1-CE1 3.97Å; I556-F595 HydrophobicContact CG2-CD1 4.18Å; I556-F595 HydrophobicContact CG2-CE1 3.44Å; I556-F595 VanDerWaalsContact CG2-CE1 3.44Å; I556-F595 HydrophobicContact CG2-CZ 3.75Å; I556-I602 HydrophobicContact CD1-CD1 4.33Å
557	C	97.7	Very high	97.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	-116.4	84.5	173.4	-175.8	0	0	0	0	108.7	M526 L527 L530 S553 G554 H559 G592	M526-C557 VanDerWaalsContact CE-SG 3.5Å; L527-C557 HydrophobicContact CD2-CB 4.38Å; L530-C557 HydrophobicContact CD1-CB 3.99Å; S553-C557 PolarHBondContact O-N 3.46Å; G554-C557 CarbonylContact O-C 3.51Å; G554-C557 VanDerWaalsContact O-O 3.13Å; C557-H559 PolarHBondContact O-N 3.36Å; C557-G592 VanDerWaalsContact CB-O 3.29Å; C557-G592 WeakPolarHBondContact CB-O 3.49Å; C557-G592 PolarHBondContact SG-O 2.98Å; C557-G592 VanDerWaalsContact SG-O 3.4Å
558	P	96.3	Very high	97.3	Very high	80 Å²	80	29.2 Å²	29.2	52%	0.519	15%	0.152	S	C	.	.			trans	-83.9	6.5	-169.6	36.6	-37.9	0	0	0	113.6	I449 G554 I556 Y594	I449-P558 HydrophobicContact CD1-CG 3.5Å; I449-P558 VanDerWaalsContact CD1-CG 3.5Å; G554-P558 WeakPolarHBondContact O-CA 3.48Å; I556-P558 WeakPolarHBondContact O-CD 3.43Å; P558-Y594 HydrophobicContact CG-CD2 4.47Å
559	H	97.1	Very high	97.4	Very high	28 Å²	28	29.2 Å²	29.2	13%	0.13	15%	0.153	C	C	.	.	S	Bend	trans	-111.8	170.2	172.7	67.4	103	0	0	0	111.6	Y523 C557 E590 Y594	Y523-H559 VanDerWaalsContact CE2-O 3.3Å; Y523-H559 WeakPolarHBondContact CE2-O 3.38Å; C557-H559 PolarHBondContact O-N 3.36Å; H559-E590 PolarHBondContact CE1-O 2.89Å; H559-E590 IonicContact CE1-OE2 3.68Å; H559-E590 PolarHBondContact CE1-OE2 2.76Å; H559-E590 IonicContact ND1-OE2 3.49Å; H559-E590 PolarHBondContact ND1-OE2 3.3Å; H559-Y594 AromaticContact CD2-CE2 3.41Å; H559-Y594 VanDerWaalsContact CD2-CE2 3.41Å; H559-Y594 WeakPolarHBondContact CD2-CE2 3.45Å; H559-Y594 AromaticContact CD2-CZ 3.85Å; H559-Y594 PolarHBondContact CD2-OH 2.91Å; H559-Y594 AromaticContact NE2-CE2 3.29Å; H559-Y594 VanDerWaalsContact NE2-CE2 3.29Å; H559-Y594 WeakPolarHBondContact NE2-CE2 3.47Å; H559-Y594 AromaticContact NE2-CZ 3.56Å; H559-Y594 PolarHBondContact NE2-OH 3.01Å
560	H	97.1	Very high	97.4	Very high	43 Å²	43	34.4 Å²	34.4	20%	0.199	18%	0.177	C	C	.	.			trans	-75.1	166.1	177.9	-160.4	-85.9	0	0	0	110.7	L519 Y523 G562 K577	L519-H560 PolarHBondContact O-CE1 3.02Å; L519-H560 VanDerWaalsContact O-CE1 3.26Å; Y523-H560 AromaticContact CG-CD2 3.96Å; Y523-H560 AromaticContact CG-NE2 3.92Å; H560-G562 PolarHBondContact ND1-N 3.28Å; H560-G562 PolarHBondContact ND1-O 3.5Å; H560-G562 PolarHBondContact O-N 3.04Å; H560-K577 VanDerWaalsContact CG-NZ 3.31Å; H560-K577 PolarHBondContact ND1-NZ 3.19Å
561	V	98	Very high	97.5	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.006	17%	0.166	C	C	.	.	S	Bend	trans	-70.1	-6.8	176.2	70.7	0	0	0	0	114.4	L507 L519 T522 Y523 M526 V589 E590	L507-V561 HydrophobicContact CD1-CG2 3.79Å; L519-V561 HydrophobicContact CD2-CG1 4.38Å; T522-V561 HydrophobicContact CG2-CG1 3.9Å; T522-V561 HydrophobicContact CG2-CG2 3.9Å; Y523-V561 HydrophobicContact CD2-CB 4.34Å; M526-V561 HydrophobicContact CB-CB 4.4Å; M526-V561 HydrophobicContact CB-CG2 4.01Å; M526-V561 HydrophobicContact CE-CB 4.16Å; M526-V561 HydrophobicContact CG-CG2 4.24Å; M526-V561 HydrophobicContact SD-CB 3.66Å; M526-V561 HydrophobicContact SD-CG2 3.53Å; M526-V561 VanDerWaalsContact SD-CG2 3.53Å; V561-V589 WeakPolarHBondContact O-CA 3.5Å; V561-E590 VanDerWaalsContact C-CG 3.45Å; V561-E590 VanDerWaalsContact O-CG 3.24Å; V561-E590 WeakPolarHBondContact O-CG 3.26Å; V561-E590 PolarHBondContact O-N 2.9Å
562	G	97.4	Very high	97.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.14	C	C	.	.			trans	156.1	175	-168	0	0	0	0	0	115.2	H560 K577 T588 E590	H560-G562 PolarHBondContact ND1-N 3.28Å; H560-G562 PolarHBondContact ND1-O 3.5Å; H560-G562 PolarHBondContact O-N 3.04Å; G562-K577 PolarHBondContact O-NZ 2.95Å; G562-T588 WeakPolarHBondContact CA-O 3.13Å; G562-T588 WeakPolarHBondContact CA-OG1 3.28Å; G562-E590 VanDerWaalsContact CA-OE1 3.24Å; G562-E590 WeakPolarHBondContact CA-OE1 3.43Å; G562-E590 PolarHBondContact N-OE1 2.91Å
563	H	98.4	Very high	97.3	Very high	17 Å²	17	28.5 Å²	28.5	8%	0.079	17%	0.166	C	C	.	.			trans	-146.3	173.3	176.5	51.3	80.5	0	0	0	110.5	D478 V569 H570 I587 T588 E590	D478-H563 IonicContact OD2-CE1 3.79Å; D478-H563 PolarHBondContact OD2-CE1 3.4Å; D478-H563 IonicContact OD2-NE2 2.8Å; D478-H563 PolarHBondContact OD2-NE2 3.41Å; H563-V569 PolarHBondContact CE1-O 3.47Å; H563-V569 PolarHBondContact ND1-O 2.87Å; H563-H570 AromaticContact CD2-CD2 3.42Å; H563-H570 PolarHBondContact CD2-CD2 2.92Å; H563-H570 VanDerWaalsContact CD2-CD2 3.42Å; H563-H570 AromaticContact CD2-NE2 3.68Å; H563-H570 AromaticContact CE1-CD2 3.58Å; H563-H570 AromaticContact CG-CD2 3.49Å; H563-H570 VanDerWaalsContact CG-CD2 3.49Å; H563-H570 AromaticContact ND1-CD2 3.59Å; H563-H570 AromaticContact NE2-CD2 3.47Å; H563-H570 PolarHBondContact NE2-CD2 3.16Å; H563-H570 AromaticContact NE2-NE2 3.71Å; H563-I587 CarbonylContact O-C 3.59Å; H563-I587 WeakPolarHBondContact O-CA 3.29Å; H563-I587 WeakPolarHBondContact O-CB 3.45Å; H563-T588 PolarHBondContact CD2-OG1 3.4Å; H563-T588 VanDerWaalsContact CE1-CG2 3.5Å; H563-T588 WeakPolarHBondContact CE1-CG2 3.4Å; H563-T588 PolarHBondContact N-OG1 2.65Å; H563-T588 PolarHBondContact NE2-OG1 3.44Å; H563-T588 PolarHBondContact O-N 3.44Å; H563-E590 IonicContact CD2-OE1 3.84Å; H563-E590 IonicContact NE2-OE1 3.92Å
564	Y	98.7	Very high	97.2	Very high	6 Å²	6	30.4 Å²	30.4	2%	0.024	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-75.3	148.3	171.1	-51.6	-60.1	0	0	0	110	W381 L519 V569 D571 T572 V575 A576 L581 V585 I586 I587	W381-Y564 AromaticContact CD1-CD1 3.7Å; W381-Y564 AromaticContact CD1-CD2 3.94Å; W381-Y564 AromaticContact CD1-CE1 3.82Å; W381-Y564 AromaticContact CD1-CG 3.78Å; W381-Y564 AromaticContact CD1-CZ 3.97Å; W381-Y564 AromaticContact NE1-CD1 3.34Å; W381-Y564 VanDerWaalsContact NE1-CD1 3.34Å; W381-Y564 AromaticContact NE1-CE1 3.04Å; W381-Y564 AromaticContact NE1-CE2 3.83Å; W381-Y564 AromaticContact NE1-CG 3.88Å; W381-Y564 AromaticContact NE1-CZ 3.3Å; W381-Y564 VanDerWaalsContact NE1-CZ 3.3Å; L519-Y564 HydrophobicContact CD1-CD1 4.05Å; L519-Y564 HydrophobicContact CD1-CE1 3.65Å; L519-Y564 HydrophobicContact CD1-CE2 4.33Å; L519-Y564 HydrophobicContact CG-CE1 4.37Å; Y564-V569 VanDerWaalsContact O-O 3.05Å; Y564-D571 WeakPolarHBondContact CB-O 3.5Å; Y564-D571 PolarHBondContact O-N 3.5Å; Y564-T572 WeakPolarHBondContact CB-OG1 3.45Å; Y564-T572 WeakPolarHBondContact CD2-OG1 3.46Å; Y564-V575 HydrophobicContact CD2-CB 4.33Å; Y564-V575 HydrophobicContact CE2-CB 3.8Å; Y564-V575 HydrophobicContact CE2-CG1 3.75Å; Y564-A576 PolarHBondContact OH-O 2.85Å; Y564-L581 HydrophobicContact CE1-CD2 4.11Å; Y564-V585 HydrophobicContact CD1-CG1 3.9Å; Y564-V585 HydrophobicContact CE1-CG1 4.09Å; Y564-I586 WeakPolarHBondContact CA-O 3.41Å; Y564-I587 HydrophobicContact CD1-CG2 3.59Å; Y564-I587 HydrophobicContact CE1-CG2 3.98Å
565	L	98.8	Very high	97.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.169	C	C	.	.			trans	-129.4	146.7	-176.4	-171.9	68.4	0	0	0	110.8	K383 M391 V476 D478 V569 I586 T588 D616	K383-L565 WeakPolarHBondContact CE-O 3.27Å; K383-L565 PolarHBondContact NZ-O 3.41Å; K383-L565 VanDerWaalsContact NZ-O 3.14Å; M391-L565 HydrophobicContact CE-CB 4.44Å; M391-L565 HydrophobicContact CE-CD2 3.65Å; M391-L565 HydrophobicContact CE-CG 3.78Å; V476-L565 HydrophobicContact CG2-CD1 3.8Å; D478-L565 HydrophobicContact CB-CD1 4.01Å; D478-L565 HydrophobicContact CB-CD2 4.28Å; L565-V569 VanDerWaalsContact CD1-O 3.3Å; L565-V569 WeakPolarHBondContact CD1-O 3.44Å; L565-I586 HydrophobicContact CB-CG2 4.19Å; L565-I586 HydrophobicContact CD2-CG2 4.38Å; L565-I586 PolarHBondContact N-O 2.97Å; L565-I586 VanDerWaalsContact N-O 3.09Å; L565-T588 HydrophobicContact CD2-CG2 4.45Å; L565-D616 HydrophobicContact CD2-CB 4.04Å; L565-D616 WeakPolarHBondContact CD2-OD1 3.46Å; L565-D616 WeakPolarHBondContact CD2-OD2 3.33Å
566	G	98.7	Very high	97.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	176.1	-113.5	179.6	0	0	0	0	0	113	Y475 V476 D568 D571	Y475-G566 WeakPolarHBondContact CA-O 3.49Å; V476-G566 WeakPolarHBondContact CG2-O 3.5Å; V476-G566 PolarHBondContact N-O 2.9Å; G566-D568 VanDerWaalsContact C-N 3.3Å; G566-D568 PolarHBondContact N-O 3.49Å; G566-D571 WeakPolarHBondContact CA-OD2 3.45Å
567	L	98.4	Very high	97.3	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.021	18%	0.181	C	C	.	.	S	Bend	trans	-71.3	-27.8	175.3	-71.8	174.2	0	0	0	112.6	R255 S258 F261 Y262 G474 Y475	R255-L567 PolarHBondContact NH2-O 3.22Å; S258-L567 WeakPolarHBondContact O-CD1 3.24Å; F261-L567 HydrophobicContact CD1-CD1 4.49Å; F261-L567 HydrophobicContact CD1-CD2 3.83Å; F261-L567 HydrophobicContact CE1-CD2 4.09Å; Y262-L567 HydrophobicContact CD2-CD1 4.17Å; Y262-L567 HydrophobicContact CG-CD1 4.46Å; G474-L567 WeakPolarHBondContact O-CA 3.32Å; G474-L567 WeakPolarHBondContact O-CD2 3.14Å; Y475-L567 HydrophobicContact CD1-CD2 4.22Å; Y475-L567 HydrophobicContact CD1-CG 4.47Å; Y475-L567 HydrophobicContact CD2-CD2 4.04Å; Y475-L567 HydrophobicContact CE1-CD2 3.89Å; Y475-L567 HydrophobicContact CE1-CG 3.98Å; Y475-L567 HydrophobicContact CE2-CD2 3.68Å; Y475-L567 HydrophobicContact CG-CD2 4.26Å
568	D	98.3	Very high	97.3	Very high	40 Å²	40	34 Å²	34	21%	0.214	20%	0.2	C	C	.	.	S	Bend	trans	-115.1	154	174.1	-60.6	-55.2	0	0	0	109	R255 S258 R380 G566 D571	R255-D568 IonicContact CZ-OD1 3.66Å; R255-D568 IonicContact NH1-OD1 2.67Å; R255-D568 IonicContact NH2-OD1 3.7Å; R255-D568 PolarHBondContact NH2-OD1 2.88Å; S258-D568 VanDerWaalsContact CB-OD2 3.25Å; S258-D568 WeakPolarHBondContact CB-OD2 3.36Å; S258-D568 PolarHBondContact OG-OD1 3.32Å; S258-D568 PolarHBondContact OG-OD2 3.48Å; S258-D568 VanDerWaalsContact OG-OD2 3.12Å; R380-D568 IonicContact CZ-OD2 2.77Å; R380-D568 IonicContact NH1-OD2 3.74Å; R380-D568 IonicContact NH2-OD2 3.94Å; R380-D568 PolarHBondContact NH2-OD2 2.86Å; G566-D568 VanDerWaalsContact C-N 3.3Å; G566-D568 PolarHBondContact N-O 3.49Å; D568-D571 HydrophobicContact CB-CB 4.46Å; D568-D571 WeakPolarHBondContact O-CB 3.36Å; D568-D571 PolarHBondContact O-N 2.86Å
569	V	98.3	Very high	97.3	Very high	40 Å²	40	33.1 Å²	33.1	24%	0.242	19%	0.186	C	C	.	.	S	Bend	trans	-59.9	-52.1	173	63.8	0	0	0	0	109.9	Y436 V476 D478 H563 Y564 L565 D571	Y436-V569 HydrophobicContact CD1-CB 4.1Å; Y436-V569 HydrophobicContact CD1-CG1 4.49Å; Y436-V569 HydrophobicContact CD1-CG2 3.81Å; Y436-V569 HydrophobicContact CE1-CB 4.44Å; Y436-V569 HydrophobicContact CE1-CG2 3.7Å; V476-V569 HydrophobicContact CG2-CB 4.42Å; D478-V569 HydrophobicContact CB-CG2 4.32Å; D478-V569 WeakPolarHBondContact OD2-CG2 3.34Å; H563-V569 PolarHBondContact CE1-O 3.47Å; H563-V569 PolarHBondContact ND1-O 2.87Å; Y564-V569 VanDerWaalsContact O-O 3.05Å; L565-V569 VanDerWaalsContact CD1-O 3.3Å; L565-V569 WeakPolarHBondContact CD1-O 3.44Å; V569-D571 PolarHBondContact O-N 3.37Å
570	H	97.5	Very high	97.4	Very high	125 Å²	125	36.1 Å²	36.1	58%	0.579	21%	0.208	S	C	*	.	S	Bend	trans	-94.5	73.7	168.2	-62.2	161.1	0	0	0	110.5	H563	H563-H570 AromaticContact CD2-CD2 3.42Å; H563-H570 PolarHBondContact CD2-CD2 2.92Å; H563-H570 VanDerWaalsContact CD2-CD2 3.42Å; H563-H570 AromaticContact CD2-NE2 3.68Å; H563-H570 AromaticContact CE1-CD2 3.58Å; H563-H570 AromaticContact CG-CD2 3.49Å; H563-H570 VanDerWaalsContact CG-CD2 3.49Å; H563-H570 AromaticContact ND1-CD2 3.59Å; H563-H570 AromaticContact NE2-CD2 3.47Å; H563-H570 PolarHBondContact NE2-CD2 3.16Å; H563-H570 AromaticContact NE2-NE2 3.71Å
571	D	97.7	Very high	97.4	Very high	5 Å²	5	35 Å²	35	3%	0.027	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	150.8	-175.7	-160.5	14.6	0	0	0	112.9	R380 K383 Y564 G566 D568 V569 G573	R380-D571 IonicContact CZ-OD1 3.24Å; R380-D571 IonicContact NE-OD1 2.71Å; R380-D571 IonicContact NH2-OD1 2.76Å; R380-D571 PolarHBondContact NH2-OD1 3.37Å; K383-D571 IonicContact NZ-OD2 2.85Å; K383-D571 PolarHBondContact NZ-OD2 3.15Å; Y564-D571 WeakPolarHBondContact CB-O 3.5Å; Y564-D571 PolarHBondContact O-N 3.5Å; G566-D571 WeakPolarHBondContact CA-OD2 3.45Å; D568-D571 HydrophobicContact CB-CB 4.46Å; D568-D571 WeakPolarHBondContact O-CB 3.36Å; D568-D571 PolarHBondContact O-N 2.86Å; V569-D571 PolarHBondContact O-N 3.37Å; D571-G573 VanDerWaalsContact C-N 3.33Å; D571-G573 PolarHBondContact O-N 3.34Å
572	T	96.9	Very high	97.4	Very high	1 Å²	1	38 Å²	38	1%	0.006	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	40	168.7	61.6	0	0	0	0	116.1	H377 R380 W381 Y564 D574 V575	H377-T572 HydrophobicContact CB-CG2 4.2Å; H377-T572 WeakPolarHBondContact O-CG2 3.46Å; R380-T572 HydrophobicContact CB-CG2 3.58Å; W381-T572 HydrophobicContact CB-CG2 4.14Å; Y564-T572 WeakPolarHBondContact CB-OG1 3.45Å; Y564-T572 WeakPolarHBondContact CD2-OG1 3.46Å; T572-D574 PolarHBondContact O-N 2.65Å; T572-V575 WeakPolarHBondContact O-CB 3.29Å; T572-V575 PolarHBondContact O-N 2.82Å
573	G	92.1	Very high	97.5	Very high	67 Å²	67	40.1 Å²	40.1	69%	0.691	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-3.7	-174.8	0	0	0	0	0	117.7	D571	D571-G573 VanDerWaalsContact C-N 3.33Å; D571-G573 PolarHBondContact O-N 3.34Å
574	D	94.8	Very high	97.5	Very high	41 Å²	41	39.7 Å²	39.7	22%	0.219	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-7.7	170.9	-75.3	-22.4	0	0	0	113.3	K346 S373 K374 H377 T572	K346-D574 WeakPolarHBondContact CE-OD1 3.39Å; K346-D574 WeakPolarHBondContact CE-OD2 3.33Å; K346-D574 IonicContact NZ-OD1 2.73Å; K346-D574 PolarHBondContact NZ-OD1 3.33Å; K346-D574 IonicContact NZ-OD2 3.59Å; S373-D574 WeakPolarHBondContact CB-OD2 3.31Å; S373-D574 PolarHBondContact OG-OD2 2.88Å; S373-D574 VanDerWaalsContact OG-OD2 3.07Å; K374-D574 HydrophobicContact CB-CB 4.2Å; K374-D574 HydrophobicContact CG-CB 4.38Å; K374-D574 PolarHBondContact N-OD2 3.36Å; H377-D574 HydrophobicContact CB-CB 4.31Å; H377-D574 IonicContact CE1-OD2 3.2Å; H377-D574 WeakPolarHBondContact ND1-CB 3.34Å; H377-D574 PolarHBondContact ND1-N 3.12Å; H377-D574 IonicContact ND1-OD2 3.54Å; T572-D574 PolarHBondContact O-N 2.65Å
575	V	97.3	Very high	97.5	Very high	11 Å²	11	39.4 Å²	39.4	7%	0.067	23%	0.231	C	C	.	.	S	Bend	trans	-84.4	127.8	173.4	-178.5	0	0	0	0	108.8	H377 W381 Y564 T572 R579	H377-V575 HydrophobicContact CB-CG2 4.21Å; W381-V575 HydrophobicContact CB-CG2 4.07Å; W381-V575 HydrophobicContact CD2-CG1 4.2Å; W381-V575 HydrophobicContact CG-CG1 4.07Å; W381-V575 HydrophobicContact CG-CG2 4.17Å; Y564-V575 HydrophobicContact CD2-CB 4.33Å; Y564-V575 HydrophobicContact CE2-CB 3.8Å; Y564-V575 HydrophobicContact CE2-CG1 3.75Å; T572-V575 WeakPolarHBondContact O-CB 3.29Å; T572-V575 PolarHBondContact O-N 2.82Å; V575-R579 HydrophobicContact CG1-CB 4.26Å; V575-R579 VanDerWaalsContact CG1-CD 3.41Å; V575-R579 HydrophobicContact CG1-CG 4.46Å
576	A	97	Very high	97.5	Very high	53 Å²	53	39.4 Å²	39.4	44%	0.438	23%	0.231	S	C	.	.			trans	-70.6	139.7	-175.6	0	0	0	0	0	112	Y564 D578 R579	Y564-A576 PolarHBondContact OH-O 2.85Å; A576-D578 VanDerWaalsContact CB-OD1 3.22Å; A576-D578 WeakPolarHBondContact CB-OD1 3.28Å; A576-D578 PolarHBondContact O-N 3.11Å; A576-R579 WeakPolarHBondContact O-CB 3.2Å; A576-R579 PolarHBondContact O-N 3.12Å
577	K	97.3	Very high	97.5	Very high	77 Å²	77	39.5 Å²	39.5	34%	0.335	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-12.2	-178.9	-65.7	-162.6	177.9	-160.3	0	114.7	L519 R520 H560 G562	L519-K577 WeakPolarHBondContact CA-O 3.44Å; L519-K577 HydrophobicContact CB-CB 3.97Å; L519-K577 HydrophobicContact CB-CG 4.45Å; L519-K577 WeakPolarHBondContact CB-O 3.41Å; L519-K577 HydrophobicContact CD1-CD 4.44Å; L519-K577 HydrophobicContact CD1-CG 4.23Å; L519-K577 PolarHBondContact N-O 3.04Å; R520-K577 PolarHBondContact N-O 3.33Å; H560-K577 VanDerWaalsContact CG-NZ 3.31Å; H560-K577 PolarHBondContact ND1-NZ 3.19Å; G562-K577 PolarHBondContact O-NZ 2.95Å
578	D	97.1	Very high	97.5	Very high	76 Å²	76	39.3 Å²	39.3	41%	0.406	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	6.9	170.8	45	25.3	0	0	0	113	R520 A576 P580	R520-D578 HydrophobicContact CB-CB 4.3Å; R520-D578 IonicContact CZ-OD2 2.8Å; R520-D578 IonicContact NE-OD2 2.62Å; R520-D578 PolarHBondContact NE-OD2 3.18Å; R520-D578 IonicContact NH2-OD2 3.5Å; R520-D578 PolarHBondContact NH2-OD2 3.05Å; A576-D578 VanDerWaalsContact CB-OD1 3.22Å; A576-D578 WeakPolarHBondContact CB-OD1 3.28Å; A576-D578 PolarHBondContact O-N 3.11Å; D578-P580 WeakPolarHBondContact O-CD 3.41Å
579	R	97.5	Very high	97.5	Very high	60 Å²	60	37.4 Å²	37.4	23%	0.226	22%	0.22	C	C	.	.	S	Bend	trans	-65.9	127	170.5	-176.2	172.6	-176.5	136.2	4.3	109.4	E378 W381 D518 V575 A576 L581 E582	E378-R579 IonicContact OE1-NH1 3.43Å; W381-R579 HydrophobicContact CH2-CG 3.86Å; W381-R579 VanDerWaalsContact CH2-NE 3.26Å; W381-R579 HydrophobicContact CZ2-CG 3.89Å; D518-R579 WeakPolarHBondContact CB-O 3.37Å; V575-R579 HydrophobicContact CG1-CB 4.26Å; V575-R579 VanDerWaalsContact CG1-CD 3.41Å; V575-R579 HydrophobicContact CG1-CG 4.46Å; A576-R579 WeakPolarHBondContact O-CB 3.2Å; A576-R579 PolarHBondContact O-N 3.12Å; R579-L581 PolarHBondContact O-N 3.43Å; R579-E582 IonicContact NH2-OE1 3.14Å
580	P	98	Very high	97.5	Very high	91 Å²	91	36.3 Å²	36.3	59%	0.591	21%	0.212	S	C	*	.	P	Polyproline II helix	trans	-54.3	130.1	173.6	-26.8	35.3	0	0	0	111.3	W381 G517 D578	W381-P580 VanDerWaalsContact CH2-O 3.27Å; W381-P580 WeakPolarHBondContact CH2-O 3.03Å; G517-P580 CarbonylContact O-C 3.5Å; G517-P580 WeakPolarHBondContact O-CA 3.44Å; D578-P580 WeakPolarHBondContact O-CD 3.41Å
581	L	98.2	Very high	97.6	Very high	19 Å²	19	30.4 Å²	30.4	10%	0.099	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-68.2	133.9	178.9	-65.8	169.8	0	0	0	110.3	L511 G517 Y564 R579 V585 I587 I619	L511-L581 HydrophobicContact CD2-CD1 3.66Å; G517-L581 PolarHBondContact O-N 2.73Å; Y564-L581 HydrophobicContact CE1-CD2 4.11Å; R579-L581 PolarHBondContact O-N 3.43Å; L581-V585 HydrophobicContact CD2-CG1 3.77Å; L581-I587 HydrophobicContact CD1-CD1 3.95Å; L581-I587 HydrophobicContact CD2-CG2 4.07Å; L581-I619 HydrophobicContact CB-CG1 4.15Å; L581-I619 HydrophobicContact CB-CG2 4.44Å; L581-I619 HydrophobicContact CD1-CD1 4.09Å; L581-I619 HydrophobicContact CD1-CG1 4.32Å
582	E	97.3	Very high	97.6	Very high	64 Å²	64	30.1 Å²	30.1	30%	0.299	18%	0.183	S	C	.	.			trans	-115.3	154.5	-179.2	-69.6	173.1	-142.1	0	0	109.9	W381 R382 R579 G584 V585	W381-E582 HydrophobicContact CH2-CB 3.92Å; W381-E582 HydrophobicContact CH2-CG 3.78Å; W381-E582 HydrophobicContact CZ3-CB 4.1Å; W381-E582 VanDerWaalsContact CZ3-CD 3.47Å; W381-E582 HydrophobicContact CZ3-CG 4Å; W381-E582 WeakPolarHBondContact CZ3-OE1 3.28Å; R382-E582 WeakPolarHBondContact CD-OE2 3.31Å; R382-E582 HydrophobicContact CG-CB 4.5Å; R382-E582 IonicContact CZ-OE2 3.24Å; R382-E582 IonicContact NE-OE2 2.81Å; R382-E582 IonicContact NH1-OE1 3.5Å; R382-E582 IonicContact NH1-OE2 3.74Å; R382-E582 PolarHBondContact NH1-OE2 3.23Å; R579-E582 IonicContact NH2-OE1 3.14Å; E582-G584 PolarHBondContact O-N 3.22Å; E582-V585 HydrophobicContact CB-CG2 4.27Å; E582-V585 VanDerWaalsContact O-CB 3.28Å; E582-V585 WeakPolarHBondContact O-CB 3.2Å; E582-V585 WeakPolarHBondContact O-CG2 3.32Å; E582-V585 PolarHBondContact O-N 2.95Å
583	P	98.4	Very high	97.7	Very high	46 Å²	46	30.1 Å²	30.1	30%	0.299	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	136.4	169.9	-26.8	35.4	0	0	0	112.1	I619 D621	P583-I619 CarbonylContact C-O 3.47Å; P583-I619 WeakPolarHBondContact CA-O 3.4Å; P583-D621 WeakPolarHBondContact CB-OD1 3.23Å; P583-D621 WeakPolarHBondContact CG-OD1 3.49Å
584	G	98.4	Very high	98	Very high	8 Å²	8	27.2 Å²	27.2	8%	0.082	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.7	-5.2	-174.9	0	0	0	0	0	114.5	K383 E582 I619	K383-G584 VanDerWaalsContact CB-O 3.31Å; K383-G584 WeakPolarHBondContact CB-O 3.33Å; K383-G584 WeakPolarHBondContact CD-O 3.22Å; K383-G584 PolarHBondContact N-O 3.33Å; E582-G584 PolarHBondContact O-N 3.22Å; G584-I619 PolarHBondContact N-O 2.95Å
585	V	98.7	Very high	98.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-78.5	137.7	170.6	177.9	0	0	0	0	109.3	W381 R382 Y564 L581 E582 I587 I619	W381-V585 HydrophobicContact CD2-CG2 3.78Å; W381-V585 VanDerWaalsContact CE2-CG2 3.42Å; W381-V585 HydrophobicContact CE3-CG2 4.08Å; W381-V585 HydrophobicContact CG-CG2 4.45Å; W381-V585 HydrophobicContact CH2-CG2 3.74Å; W381-V585 HydrophobicContact CZ2-CB 4.46Å; W381-V585 HydrophobicContact CZ2-CG1 4.25Å; W381-V585 HydrophobicContact CZ2-CG2 3.44Å; W381-V585 VanDerWaalsContact CZ2-CG2 3.44Å; W381-V585 HydrophobicContact CZ3-CG2 4.04Å; R382-V585 HydrophobicContact CG-CG2 4.06Å; Y564-V585 HydrophobicContact CD1-CG1 3.9Å; Y564-V585 HydrophobicContact CE1-CG1 4.09Å; L581-V585 HydrophobicContact CD2-CG1 3.77Å; E582-V585 HydrophobicContact CB-CG2 4.27Å; E582-V585 VanDerWaalsContact O-CB 3.28Å; E582-V585 WeakPolarHBondContact O-CB 3.2Å; E582-V585 WeakPolarHBondContact O-CG2 3.32Å; E582-V585 PolarHBondContact O-N 2.95Å; V585-I587 HydrophobicContact CG1-CG2 4.15Å; V585-I619 HydrophobicContact CB-CG1 4.36Å; V585-I619 WeakPolarHBondContact O-CG1 3.36Å; V585-I619 PolarHBondContact O-N 2.72Å
586	I	98.9	Very high	98	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	132.6	174.1	-56.7	172.6	0	0	0	108.4	K383 M391 Y564 L565 V617 L618 L627	K383-I586 HydrophobicContact CG-CD1 3.99Å; K383-I586 HydrophobicContact CG-CG1 4.41Å; M391-I586 HydrophobicContact CB-CD1 3.58Å; M391-I586 HydrophobicContact CE-CD1 3.88Å; M391-I586 HydrophobicContact CE-CG2 4.07Å; M391-I586 HydrophobicContact CG-CD1 3.44Å; M391-I586 VanDerWaalsContact CG-CD1 3.44Å; M391-I586 HydrophobicContact SD-CD1 4.33Å; Y564-I586 WeakPolarHBondContact CA-O 3.41Å; L565-I586 HydrophobicContact CB-CG2 4.19Å; L565-I586 HydrophobicContact CD2-CG2 4.38Å; L565-I586 PolarHBondContact N-O 2.97Å; L565-I586 VanDerWaalsContact N-O 3.09Å; I586-V617 VanDerWaalsContact CA-O 3.31Å; I586-V617 WeakPolarHBondContact CA-O 3.06Å; I586-L618 HydrophobicContact CD1-CD1 4.22Å; I586-L618 HydrophobicContact CG1-CB 4.15Å; I586-L618 HydrophobicContact CG1-CD1 3.61Å; I586-L618 HydrophobicContact CG1-CG 4.49Å; I586-L627 HydrophobicContact CD1-CD1 4.02Å; I586-L627 HydrophobicContact CG1-CD1 4.48Å; I586-L627 HydrophobicContact CG2-CD1 4.04Å
587	I	98.8	Very high	97.9	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	154.9	177.8	56.6	170.2	0	0	0	111.1	L511 L519 H563 Y564 L581 V585 V589 V617	L511-I587 HydrophobicContact CD1-CD1 3.97Å; L511-I587 HydrophobicContact CD2-CD1 4.3Å; L519-I587 HydrophobicContact CD1-CG2 4.18Å; L519-I587 HydrophobicContact CD2-CB 4.14Å; L519-I587 HydrophobicContact CD2-CD1 3.95Å; L519-I587 HydrophobicContact CD2-CG2 4Å; L519-I587 HydrophobicContact CG-CG2 4.15Å; H563-I587 CarbonylContact O-C 3.59Å; H563-I587 WeakPolarHBondContact O-CA 3.29Å; H563-I587 WeakPolarHBondContact O-CB 3.45Å; Y564-I587 HydrophobicContact CD1-CG2 3.59Å; Y564-I587 HydrophobicContact CE1-CG2 3.98Å; L581-I587 HydrophobicContact CD1-CD1 3.95Å; L581-I587 HydrophobicContact CD2-CG2 4.07Å; V585-I587 HydrophobicContact CG1-CG2 4.15Å; I587-V589 HydrophobicContact CD1-CG2 4.37Å; I587-V617 HydrophobicContact CG1-CB 4.42Å; I587-V617 PolarHBondContact N-O 3.18Å; I587-V617 PolarHBondContact O-N 3.06Å
588	T	98.8	Very high	97.8	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	147.7	162.8	52.3	0	0	0	0	110.5	D478 G562 H563 L565 E614 D615 D616	D478-T588 HydrophobicContact CB-CG2 3.84Å; G562-T588 WeakPolarHBondContact CA-O 3.13Å; G562-T588 WeakPolarHBondContact CA-OG1 3.28Å; H563-T588 PolarHBondContact CD2-OG1 3.4Å; H563-T588 VanDerWaalsContact CE1-CG2 3.5Å; H563-T588 WeakPolarHBondContact CE1-CG2 3.4Å; H563-T588 PolarHBondContact N-OG1 2.65Å; H563-T588 PolarHBondContact NE2-OG1 3.44Å; H563-T588 PolarHBondContact O-N 3.44Å; L565-T588 HydrophobicContact CD2-CG2 4.45Å; T588-E614 VanDerWaalsContact CB-OE1 3.28Å; T588-E614 WeakPolarHBondContact CB-OE1 3.37Å; T588-E614 HydrophobicContact CG2-CG 4.5Å; T588-E614 VanDerWaalsContact CG2-OE1 3.31Å; T588-E614 WeakPolarHBondContact CG2-OE1 3.28Å; T588-D615 CarbonylContact C-O 3.56Å; T588-D615 WeakPolarHBondContact CA-O 3.38Å; T588-D616 WeakPolarHBondContact CG2-OD1 3.45Å
589	V	98.8	Very high	97.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	95.9	169.5	-177.6	0	0	0	0	108.9	Q504 L507 I508 L511 V561 I587 P591 E614 D615 V617	Q504-V589 HydrophobicContact CG-CG1 4.11Å; Q504-V589 PolarHBondContact NE2-O 3.28Å; Q504-V589 VanDerWaalsContact NE2-O 3.1Å; L507-V589 HydrophobicContact CB-CG1 4Å; L507-V589 HydrophobicContact CD1-CG1 4.26Å; I508-V589 HydrophobicContact CG1-CB 4.33Å; I508-V589 HydrophobicContact CG1-CG1 4.09Å; I508-V589 HydrophobicContact CG1-CG2 4.41Å; L511-V589 HydrophobicContact CD1-CG2 3.75Å; V561-V589 WeakPolarHBondContact O-CA 3.5Å; I587-V589 HydrophobicContact CD1-CG2 4.37Å; V589-P591 WeakPolarHBondContact O-CD 3.3Å; V589-E614 WeakPolarHBondContact O-CA 3.47Å; V589-D615 PolarHBondContact N-O 3.11Å; V589-D615 PolarHBondContact O-N 3.03Å; V589-V617 HydrophobicContact CB-CG2 4.35Å; V589-V617 HydrophobicContact CG2-CB 4.29Å; V589-V617 HydrophobicContact CG2-CG2 3.75Å
590	E	98.7	Very high	97.4	Very high	18 Å²	18	33.4 Å²	33.4	8%	0.084	18%	0.182	C	C	.	.			trans	-128.4	60.6	-160.3	51.4	156.8	159.1	0	0	113.4	H559 V561 G562 H563 R612 I613 E614	H559-E590 PolarHBondContact CE1-O 2.89Å; H559-E590 IonicContact CE1-OE2 3.68Å; H559-E590 PolarHBondContact CE1-OE2 2.76Å; H559-E590 IonicContact ND1-OE2 3.49Å; H559-E590 PolarHBondContact ND1-OE2 3.3Å; V561-E590 VanDerWaalsContact C-CG 3.45Å; V561-E590 VanDerWaalsContact O-CG 3.24Å; V561-E590 WeakPolarHBondContact O-CG 3.26Å; V561-E590 PolarHBondContact O-N 2.9Å; G562-E590 VanDerWaalsContact CA-OE1 3.24Å; G562-E590 WeakPolarHBondContact CA-OE1 3.43Å; G562-E590 PolarHBondContact N-OE1 2.91Å; H563-E590 IonicContact CD2-OE1 3.84Å; H563-E590 IonicContact NE2-OE1 3.92Å; E590-R612 HydrophobicContact CB-CG 4.48Å; E590-I613 WeakPolarHBondContact CA-O 3.33Å; E590-E614 HydrophobicContact CB-CB 3.61Å; E590-E614 HydrophobicContact CB-CG 3.7Å; E590-E614 WeakPolarHBondContact CB-OE1 3.32Å
591	P	98.7	Very high	97.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.174	C	C	.	.			trans	-62.5	142.9	173.4	30.6	-37.9	0	0	0	111.5	L500 Q504 M526 V589 R612 I613	L500-P591 HydrophobicContact CD1-CB 3.77Å; L500-P591 HydrophobicContact CD1-CG 4.05Å; L500-P591 WeakPolarHBondContact CD1-O 3.46Å; Q504-P591 HydrophobicContact CB-CG 3.68Å; Q504-P591 HydrophobicContact CG-CG 3.98Å; M526-P591 HydrophobicContact CG-CB 3.96Å; M526-P591 HydrophobicContact SD-CB 3.75Å; V589-P591 WeakPolarHBondContact O-CD 3.3Å; P591-R612 WeakPolarHBondContact O-CG 3.45Å; P591-I613 VanDerWaalsContact CD-O 3.28Å; P591-I613 WeakPolarHBondContact CD-O 3.36Å; P591-I613 PolarHBondContact O-N 2.92Å
592	G	98.5	Very high	97	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	158.4	176.5	0	0	0	0	0	113.8	C557 M611	C557-G592 VanDerWaalsContact CB-O 3.29Å; C557-G592 WeakPolarHBondContact CB-O 3.49Å; C557-G592 PolarHBondContact SG-O 2.98Å; C557-G592 VanDerWaalsContact SG-O 3.4Å; G592-M611 CarbonylContact C-O 3.36Å; G592-M611 VanDerWaalsContact CA-O 3.24Å; G592-M611 WeakPolarHBondContact CA-O 3.49Å
593	L	98.5	Very high	97	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	122.1	172.4	-69.7	172.3	0	0	0	108.6	L496 I499 L500 L530 L534 I556 F595 G610 M611	L496-L593 HydrophobicContact CB-CD1 4.44Å; L496-L593 HydrophobicContact CD2-CD1 4.33Å; I499-L593 HydrophobicContact CG2-CD1 4.5Å; L500-L593 HydrophobicContact CB-CD1 4.32Å; L500-L593 HydrophobicContact CD1-CG 4.24Å; L530-L593 HydrophobicContact CD1-CD2 4.37Å; L530-L593 HydrophobicContact CD2-CD2 4.09Å; L530-L593 HydrophobicContact CD2-CG 4.34Å; L534-L593 HydrophobicContact CD1-CD2 4.09Å; L534-L593 HydrophobicContact CD2-CD2 4.36Å; I556-L593 HydrophobicContact CG2-CD2 3.59Å; L593-F595 HydrophobicContact CB-CD2 4.5Å; L593-F595 HydrophobicContact CB-CE2 3.83Å; L593-F595 HydrophobicContact CB-CZ 4.23Å; L593-F595 HydrophobicContact CD1-CE2 4.28Å; L593-F595 HydrophobicContact CD2-CE2 4.43Å; L593-F595 HydrophobicContact CD2-CZ 4.05Å; L593-F595 HydrophobicContact CG-CE2 4.41Å; L593-G610 WeakPolarHBondContact O-CA 3.3Å; L593-M611 HydrophobicContact CB-CG 3.95Å; L593-M611 HydrophobicContact CD1-SD 4.34Å; L593-M611 PolarHBondContact N-O 2.98Å; L593-M611 PolarHBondContact O-N 3.36Å
594	Y	98.3	Very high	96.8	Very high	6 Å²	6	36.7 Å²	36.7	2%	0.024	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	110.9	-178.7	-51.8	-87.8	0	0	0	110.3	A446 N447 I449 L465 I556 P558 H559 R612	A446-Y594 WeakPolarHBondContact O-CD1 3.3Å; N447-Y594 VanDerWaalsContact OD1-C 3.31Å; N447-Y594 WeakPolarHBondContact OD1-CA 3.4Å; I449-Y594 HydrophobicContact CD1-CD2 4.36Å; I449-Y594 HydrophobicContact CD1-CE1 4.42Å; I449-Y594 HydrophobicContact CD1-CE2 4.07Å; I449-Y594 HydrophobicContact CG1-CD1 4.18Å; I449-Y594 HydrophobicContact CG1-CE1 3.74Å; I449-Y594 HydrophobicContact CG1-CE2 4.27Å; L465-Y594 HydrophobicContact CD1-CE1 4.48Å; I556-Y594 WeakPolarHBondContact O-CD2 3.46Å; I556-Y594 PolarHBondContact O-N 3.03Å; P558-Y594 HydrophobicContact CG-CD2 4.47Å; H559-Y594 AromaticContact CD2-CE2 3.41Å; H559-Y594 VanDerWaalsContact CD2-CE2 3.41Å; H559-Y594 WeakPolarHBondContact CD2-CE2 3.45Å; H559-Y594 AromaticContact CD2-CZ 3.85Å; H559-Y594 PolarHBondContact CD2-OH 2.91Å; H559-Y594 AromaticContact NE2-CE2 3.29Å; H559-Y594 VanDerWaalsContact NE2-CE2 3.29Å; H559-Y594 WeakPolarHBondContact NE2-CE2 3.47Å; H559-Y594 AromaticContact NE2-CZ 3.56Å; H559-Y594 PolarHBondContact NE2-OH 3.01Å; Y594-R612 PolarHBondContact OH-NH1 2.95Å
595	F	97.5	Very high	96.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	74.1	-179.3	-56.8	-60.3	0	0	0	109.8	N447 L496 L534 I556 L593 I602 F606 R607 G608 I609	N447-F595 PolarHBondContact ND2-O 3.26Å; N447-F595 PolarHBondContact OD1-N 2.87Å; L496-F595 HydrophobicContact CD1-CD2 3.7Å; L496-F595 HydrophobicContact CD1-CE2 3.57Å; L496-F595 HydrophobicContact CD2-CE2 3.64Å; L496-F595 HydrophobicContact CD2-CZ 4.21Å; L496-F595 HydrophobicContact CG-CE2 4.22Å; L534-F595 HydrophobicContact CD1-CZ 4.38Å; L534-F595 HydrophobicContact CD2-CZ 3.79Å; I556-F595 HydrophobicContact CB-CE1 4.35Å; I556-F595 HydrophobicContact CD1-CE1 3.95Å; I556-F595 HydrophobicContact CG1-CE1 3.97Å; I556-F595 HydrophobicContact CG2-CD1 4.18Å; I556-F595 HydrophobicContact CG2-CE1 3.44Å; I556-F595 VanDerWaalsContact CG2-CE1 3.44Å; I556-F595 HydrophobicContact CG2-CZ 3.75Å; L593-F595 HydrophobicContact CB-CD2 4.5Å; L593-F595 HydrophobicContact CB-CE2 3.83Å; L593-F595 HydrophobicContact CB-CZ 4.23Å; L593-F595 HydrophobicContact CD1-CE2 4.28Å; L593-F595 HydrophobicContact CD2-CE2 4.43Å; L593-F595 HydrophobicContact CD2-CZ 4.05Å; L593-F595 HydrophobicContact CG-CE2 4.41Å; F595-I602 HydrophobicContact CB-CG2 4.29Å; F595-I602 HydrophobicContact CD1-CB 4.47Å; F595-I602 HydrophobicContact CD1-CD1 3.62Å; F595-I602 HydrophobicContact CD1-CG1 3.74Å; F595-I602 HydrophobicContact CD1-CG2 3.94Å; F595-I602 HydrophobicContact CE1-CD1 3.69Å; F595-I602 HydrophobicContact CE1-CG1 4.33Å; F595-I602 HydrophobicContact CG-CG2 4.18Å; F595-F606 VanDerWaalsContact CB-O 3.28Å; F595-F606 WeakPolarHBondContact CB-O 3.22Å; F595-R607 CarbonylContact O-C 3.56Å; F595-G608 WeakPolarHBondContact O-CA 3.36Å; F595-G608 PolarHBondContact O-N 3.03Å; F595-I609 WeakPolarHBondContact CB-O 3.19Å; F595-I609 PolarHBondContact N-O 3.5Å; F595-I609 PolarHBondContact O-N 2.69Å
596	N	94.5	Very high	96.6	Very high	57 Å²	57	41.3 Å²	41.3	31%	0.305	22%	0.218	S	C	.	.			trans	-49.8	148.4	175.6	-57.4	33.8	0	0	0	111.5	N447 D598 R599	N447-N596 HydrophobicContact CB-CB 4.43Å; N447-N596 VanDerWaalsContact CB-OD1 3.23Å; N447-N596 WeakPolarHBondContact CB-OD1 3.44Å; N596-D598 WeakPolarHBondContact CB-OD1 3.39Å; N596-D598 PolarHBondContact O-N 3.44Å; N596-D598 VanDerWaalsContact O-N 3.1Å; N596-R599 HydrophobicContact CB-CG 4.14Å; N596-R599 WeakPolarHBondContact O-CB 3.14Å; N596-R599 WeakPolarHBondContact O-CG 3.37Å; N596-R599 PolarHBondContact O-N 3.09Å
597	S	96.1	Very high	96.5	Very high	68 Å²	68	45.4 Å²	45.4	48%	0.476	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-26	-177.9	54.1	0	0	0	0	114.9	D444	D444-S597 PolarHBondContact OD1-N 3.02Å; D444-S597 VanDerWaalsContact OD1-N 3.1Å; D444-S597 VanDerWaalsContact OD2-CB 3.24Å; D444-S597 WeakPolarHBondContact OD2-CB 3.46Å; D444-S597 PolarHBondContact OD2-OG 3.02Å
598	D	95	Very high	96.4	Very high	117 Å²	117	46.1 Å²	46.1	63%	0.626	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-2.6	179.8	68.5	-19.3	0	0	0	114.6	N596 E600	N596-D598 WeakPolarHBondContact CB-OD1 3.39Å; N596-D598 PolarHBondContact O-N 3.44Å; N596-D598 VanDerWaalsContact O-N 3.1Å; D598-E600 PolarHBondContact O-N 3.27Å
599	R	92.4	Very high	96.4	Very high	42 Å²	42	46.9 Å²	46.9	16%	0.158	25%	0.245	C	C	.	.			trans	-74.6	83.8	179.5	-69.6	-71.1	-60.7	-79	-4.4	112	N596 D601 I602 R607	N596-R599 HydrophobicContact CB-CG 4.14Å; N596-R599 WeakPolarHBondContact O-CB 3.14Å; N596-R599 WeakPolarHBondContact O-CG 3.37Å; N596-R599 PolarHBondContact O-N 3.09Å; R599-D601 IonicContact CZ-OD1 3.46Å; R599-D601 IonicContact CZ-OD2 3.25Å; R599-D601 IonicContact NE-OD1 2.71Å; R599-D601 PolarHBondContact NE-OD1 3.07Å; R599-D601 IonicContact NE-OD2 3.9Å; R599-D601 PolarHBondContact NE-OD2 3.44Å; R599-D601 IonicContact NH2-OD1 3.27Å; R599-D601 IonicContact NH2-OD2 3.16Å; R599-D601 PolarHBondContact NH2-OD2 3.49Å; R599-D601 PolarHBondContact O-N 2.53Å; R599-I602 HydrophobicContact CB-CB 4.18Å; R599-I602 HydrophobicContact CB-CG1 3.74Å; R599-I602 WeakPolarHBondContact O-CB 3.34Å; R599-I602 PolarHBondContact O-N 3.46Å; R599-R607 PolarHBondContact O-NE 2.96Å; R599-R607 VanDerWaalsContact O-NE 3.13Å
600	E	93.1	Very high	96.3	Very high	164 Å²	164	47 Å²	47	77%	0.766	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-25	178.5	-66.8	-169.2	166.4	0	0	113.8	D598 I602 R607	D598-E600 PolarHBondContact O-N 3.27Å; E600-I602 PolarHBondContact O-N 3.04Å; E600-R607 PolarHBondContact O-NH2 3.28Å
601	D	92.8	Very high	96.3	Very high	79 Å²	79	46.1 Å²	46.1	42%	0.422	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-10.9	174.9	64.7	-52.5	0	0	0	113.8	M552 R599	M552-D601 WeakPolarHBondContact CE-OD2 3.25Å; R599-D601 IonicContact CZ-OD1 3.46Å; R599-D601 IonicContact CZ-OD2 3.25Å; R599-D601 IonicContact NE-OD1 2.71Å; R599-D601 PolarHBondContact NE-OD1 3.07Å; R599-D601 IonicContact NE-OD2 3.9Å; R599-D601 PolarHBondContact NE-OD2 3.44Å; R599-D601 IonicContact NH2-OD1 3.27Å; R599-D601 IonicContact NH2-OD2 3.16Å; R599-D601 PolarHBondContact NH2-OD2 3.49Å; R599-D601 PolarHBondContact O-N 2.53Å
602	I	95.6	Very high	96.3	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.01	24%	0.242	C	C	.	.	S	Bend	trans	-101.1	139.1	177.6	-57.7	-62.5	0	0	0	109.6	I539 I556 F595 R599 E600 F606 R607	I539-I602 HydrophobicContact CG2-CD1 3.93Å; I556-I602 HydrophobicContact CD1-CD1 4.33Å; F595-I602 HydrophobicContact CB-CG2 4.29Å; F595-I602 HydrophobicContact CD1-CB 4.47Å; F595-I602 HydrophobicContact CD1-CD1 3.62Å; F595-I602 HydrophobicContact CD1-CG1 3.74Å; F595-I602 HydrophobicContact CD1-CG2 3.94Å; F595-I602 HydrophobicContact CE1-CD1 3.69Å; F595-I602 HydrophobicContact CE1-CG1 4.33Å; F595-I602 HydrophobicContact CG-CG2 4.18Å; R599-I602 HydrophobicContact CB-CB 4.18Å; R599-I602 HydrophobicContact CB-CG1 3.74Å; R599-I602 WeakPolarHBondContact O-CB 3.34Å; R599-I602 PolarHBondContact O-N 3.46Å; E600-I602 PolarHBondContact O-N 3.04Å; I602-F606 HydrophobicContact CG2-CB 3.8Å; I602-R607 HydrophobicContact CB-CG 4.25Å; I602-R607 HydrophobicContact CG2-CG 4.27Å; I602-R607 VanDerWaalsContact O-CZ 3.27Å; I602-R607 PolarHBondContact O-NE 2.7Å; I602-R607 PolarHBondContact O-NH2 3.05Å
603	P	95.8	Very high	96.3	Very high	48 Å²	48	46.4 Å²	46.4	31%	0.312	24%	0.242	S	C	.	.			trans	-62.5	143.1	176.7	-20.8	31.4	0	0	0	112.7	I539 P605 F606	I539-P603 HydrophobicContact CG1-CG 4.4Å; P603-P605 VanDerWaalsContact O-N 3.13Å; P603-F606 HydrophobicContact CB-CD2 3.93Å; P603-F606 HydrophobicContact CB-CE2 4.28Å; P603-F606 HydrophobicContact CG-CD2 4.21Å; P603-F606 HydrophobicContact CG-CE2 4.47Å; P603-F606 PolarHBondContact O-N 2.98Å
604	Q	95	Very high	96.4	Very high	161 Å²	161	46.5 Å²	46.5	75%	0.752	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-49.6	-40.5	-170.8	-168.3	177.8	13.7	0	0	115.6	F606 R607	Q604-F606 PolarHBondContact O-N 3.02Å; Q604-F606 VanDerWaalsContact O-N 3.14Å; Q604-R607 PolarHBondContact O-N 3.31Å
605	P	95.3	Very high	96.4	Very high	82 Å²	82	46.2 Å²	46.2	53%	0.532	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-66.1	-13.6	-179.8	-21.8	34.6	0	0	0	115.2	P492 P603	P492-P605 HydrophobicContact CB-CB 4.21Å; P492-P605 WeakPolarHBondContact CB-O 3.24Å; P492-P605 HydrophobicContact CG-CB 3.8Å; P603-P605 VanDerWaalsContact O-N 3.13Å
606	F	97.2	Very high	96.4	Very high	22 Å²	22	46.2 Å²	46.2	10%	0.096	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-106.8	-11.6	-177.6	-55.1	-69.2	0	0	0	113.6	P492 L495 L496 I539 F595 I602 P603 Q604 I609	P492-F606 HydrophobicContact CB-CD1 3.92Å; P492-F606 HydrophobicContact CB-CE1 3.91Å; L495-F606 HydrophobicContact CD2-CE1 4.04Å; L495-F606 HydrophobicContact CD2-CZ 3.92Å; L496-F606 HydrophobicContact CD1-CB 4.19Å; L496-F606 HydrophobicContact CD1-CD1 3.68Å; L496-F606 HydrophobicContact CD1-CG 4.35Å; L496-F606 HydrophobicContact CD2-CD1 4Å; L496-F606 HydrophobicContact CD2-CE1 4.35Å; L496-F606 HydrophobicContact CG-CD1 3.68Å; L496-F606 HydrophobicContact CG-CE1 4.12Å; I539-F606 HydrophobicContact CD1-CB 4.46Å; I539-F606 HydrophobicContact CD1-CD1 3.98Å; I539-F606 HydrophobicContact CD1-CD2 3.65Å; I539-F606 HydrophobicContact CD1-CE1 4.07Å; I539-F606 HydrophobicContact CD1-CE2 3.76Å; I539-F606 HydrophobicContact CD1-CG 3.76Å; I539-F606 HydrophobicContact CD1-CZ 3.97Å; I539-F606 HydrophobicContact CG1-CD2 3.65Å; I539-F606 HydrophobicContact CG1-CE2 3.62Å; I539-F606 HydrophobicContact CG1-CG 4.28Å; I539-F606 HydrophobicContact CG1-CZ 4.21Å; F595-F606 VanDerWaalsContact CB-O 3.28Å; F595-F606 WeakPolarHBondContact CB-O 3.22Å; I602-F606 HydrophobicContact CG2-CB 3.8Å; P603-F606 HydrophobicContact CB-CD2 3.93Å; P603-F606 HydrophobicContact CB-CE2 4.28Å; P603-F606 HydrophobicContact CG-CD2 4.21Å; P603-F606 HydrophobicContact CG-CE2 4.47Å; P603-F606 PolarHBondContact O-N 2.98Å; Q604-F606 PolarHBondContact O-N 3.02Å; Q604-F606 VanDerWaalsContact O-N 3.14Å; F606-I609 WeakPolarHBondContact O-CB 3.35Å; F606-I609 PolarHBondContact O-N 3.17Å
607	R	97	Very high	96.7	Very high	87 Å²	87	43.5 Å²	43.5	33%	0.328	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	143.7	177.4	-62.2	-177	-166.6	169.2	1.5	109.8	F595 R599 E600 I602 Q604	F595-R607 CarbonylContact O-C 3.56Å; R599-R607 PolarHBondContact O-NE 2.96Å; R599-R607 VanDerWaalsContact O-NE 3.13Å; E600-R607 PolarHBondContact O-NH2 3.28Å; I602-R607 HydrophobicContact CB-CG 4.25Å; I602-R607 HydrophobicContact CG2-CG 4.27Å; I602-R607 VanDerWaalsContact O-CZ 3.27Å; I602-R607 PolarHBondContact O-NE 2.7Å; I602-R607 PolarHBondContact O-NH2 3.05Å; Q604-R607 PolarHBondContact O-N 3.31Å
608	G	97	Very high	96.8	Very high	16 Å²	16	40.4 Å²	40.4	17%	0.165	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.8	3.8	-174.6	0	0	0	0	0	114.9	G443 D444 F595	G443-G608 CarbonylContact C-O 3.52Å; D444-G608 VanDerWaalsContact CA-O 3.3Å; D444-G608 WeakPolarHBondContact CA-O 3.3Å; D444-G608 PolarHBondContact N-O 3.11Å; D444-G608 VanDerWaalsContact OD1-CA 3.31Å; D444-G608 WeakPolarHBondContact OD1-CA 3.16Å; F595-G608 WeakPolarHBondContact O-CA 3.36Å; F595-G608 PolarHBondContact O-N 3.03Å
609	I	98	Very high	97	Very high	16 Å²	16	35.3 Å²	35.3	8%	0.082	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	113.4	-175.8	-57.9	-179.2	0	0	0	110	N447 L463 P492 Q493 L496 F595 F606 M611	N447-I609 PolarHBondContact OD1-O 3.03Å; L463-I609 HydrophobicContact CD1-CG2 3.9Å; P492-I609 HydrophobicContact CB-CD1 4.38Å; Q493-I609 HydrophobicContact CG-CD1 3.96Å; L496-I609 HydrophobicContact CD1-CB 4.14Å; L496-I609 HydrophobicContact CD1-CD1 4.04Å; L496-I609 HydrophobicContact CD1-CG2 3.89Å; F595-I609 WeakPolarHBondContact CB-O 3.19Å; F595-I609 PolarHBondContact N-O 3.5Å; F595-I609 PolarHBondContact O-N 2.69Å; F606-I609 WeakPolarHBondContact O-CB 3.35Å; F606-I609 PolarHBondContact O-N 3.17Å; I609-M611 HydrophobicContact CG2-CE 3.43Å; I609-M611 VanDerWaalsContact CG2-CE 3.43Å
610	G	98.2	Very high	97.2	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.01	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	135	165.2	0	0	0	0	0	110.5	N447 L593	N447-G610 VanDerWaalsContact OD1-CA 3.31Å; N447-G610 WeakPolarHBondContact OD1-CA 3.36Å; N447-G610 PolarHBondContact OD1-N 3.16Å; L593-G610 WeakPolarHBondContact O-CA 3.3Å
611	M	98.4	Very high	97.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	144.7	176.8	54.6	174	76.6	0	0	111.9	L463 T482 L496 L500 G592 L593 I609	L463-M611 HydrophobicContact CD1-CE 3.75Å; T482-M611 HydrophobicContact CG2-CB 3.8Å; L496-M611 VanDerWaalsContact C-SD 3.59Å; L496-M611 HydrophobicContact CB-CE 3.35Å; L496-M611 HydrophobicContact CB-SD 3.74Å; L496-M611 HydrophobicContact CD1-CE 4.09Å; L496-M611 HydrophobicContact CG-CE 4.39Å; L500-M611 HydrophobicContact CB-SD 4.26Å; L500-M611 HydrophobicContact CD2-CB 4.01Å; L500-M611 HydrophobicContact CD2-CG 3.7Å; L500-M611 HydrophobicContact CD2-SD 3.9Å; G592-M611 CarbonylContact C-O 3.36Å; G592-M611 VanDerWaalsContact CA-O 3.24Å; G592-M611 WeakPolarHBondContact CA-O 3.49Å; L593-M611 HydrophobicContact CB-CG 3.95Å; L593-M611 HydrophobicContact CD1-SD 4.34Å; L593-M611 PolarHBondContact N-O 2.98Å; L593-M611 PolarHBondContact O-N 3.36Å; I609-M611 HydrophobicContact CG2-CE 3.43Å; I609-M611 VanDerWaalsContact CG2-CE 3.43Å
612	R	98.8	Very high	97.3	Very high	7 Å²	7	35.8 Å²	35.8	3%	0.026	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	147.1	172.3	-179	169.5	72	-149.9	6.4	109.6	L465 D467 T480 T482 E590 P591 Y594	L465-R612 HydrophobicContact CD1-CB 4.03Å; D467-R612 IonicContact OD1-NH2 2.77Å; D467-R612 IonicContact OD2-CZ 2.77Å; D467-R612 IonicContact OD2-NH2 3.65Å; D467-R612 PolarHBondContact OD2-NH2 3.01Å; T480-R612 HydrophobicContact CG2-CB 3.7Å; T480-R612 HydrophobicContact CG2-CG 3.89Å; T480-R612 PolarHBondContact OG1-NE 3.35Å; T480-R612 PolarHBondContact OG1-NH2 2.81Å; T482-R612 PolarHBondContact OG1-N 3.42Å; T482-R612 PolarHBondContact OG1-O 3.46Å; E590-R612 HydrophobicContact CB-CG 4.48Å; P591-R612 WeakPolarHBondContact O-CG 3.45Å; Y594-R612 PolarHBondContact OH-NH1 2.95Å
613	I	98.7	Very high	97.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.196	C	C	.	.			trans	-130	127.5	171.8	-55	171.8	0	0	0	106.1	Y497 L500 Y501 Q504 E590 P591 K633	Y497-I613 HydrophobicContact CE1-CD1 3.92Å; Y497-I613 HydrophobicContact CE2-CD1 3.85Å; Y497-I613 HydrophobicContact CE2-CG1 4.15Å; Y497-I613 WeakPolarHBondContact OH-CD1 3.41Å; L500-I613 HydrophobicContact CB-CD1 4.39Å; L500-I613 HydrophobicContact CD2-CD1 4.13Å; L500-I613 HydrophobicContact CD2-CG1 3.82Å; L500-I613 HydrophobicContact CG-CD1 4.05Å; L500-I613 HydrophobicContact CG-CG1 4.15Å; Y501-I613 HydrophobicContact CD2-CD1 4.21Å; Q504-I613 PolarHBondContact NE2-O 3.15Å; E590-I613 WeakPolarHBondContact CA-O 3.33Å; P591-I613 VanDerWaalsContact CD-O 3.28Å; P591-I613 WeakPolarHBondContact CD-O 3.36Å; P591-I613 PolarHBondContact O-N 2.92Å; I613-K633 HydrophobicContact CG2-CB 4.12Å; I613-K633 HydrophobicContact CG2-CD 4.02Å
614	E	98.8	Very high	97.4	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	19%	0.186	C	C	.	.			trans	-136.2	139.1	-174.5	166.6	170.9	-132.1	0	0	112.1	T480 R481 T588 V589 E590	T480-E614 WeakPolarHBondContact CB-OE2 3.33Å; T480-E614 PolarHBondContact N-OE2 2.71Å; T480-E614 PolarHBondContact O-N 3.25Å; T480-E614 PolarHBondContact OG1-OE2 3.23Å; R481-E614 PolarHBondContact NH1-O 2.68Å; T588-E614 VanDerWaalsContact CB-OE1 3.28Å; T588-E614 WeakPolarHBondContact CB-OE1 3.37Å; T588-E614 HydrophobicContact CG2-CG 4.5Å; T588-E614 VanDerWaalsContact CG2-OE1 3.31Å; T588-E614 WeakPolarHBondContact CG2-OE1 3.28Å; V589-E614 WeakPolarHBondContact O-CA 3.47Å; E590-E614 HydrophobicContact CB-CB 3.61Å; E590-E614 HydrophobicContact CB-CG 3.7Å; E590-E614 WeakPolarHBondContact CB-OE1 3.32Å
615	D	98.9	Very high	97.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	149.9	170	-74.9	-67.8	0	0	0	111.7	R481 Q504 T588 V589 V626 T628 K633	R481-D615 IonicContact CZ-OD1 3.26Å; R481-D615 IonicContact NH1-OD1 3.4Å; R481-D615 IonicContact NH2-OD1 3.68Å; R481-D615 PolarHBondContact NH2-OD1 3.31Å; R481-D615 IonicContact NH2-OD2 2.71Å; Q504-D615 PolarHBondContact NE2-OD2 2.71Å; Q504-D615 PolarHBondContact OE1-OD2 3.1Å; T588-D615 CarbonylContact C-O 3.56Å; T588-D615 WeakPolarHBondContact CA-O 3.38Å; V589-D615 PolarHBondContact N-O 3.11Å; V589-D615 PolarHBondContact O-N 3.03Å; D615-V626 HydrophobicContact CB-CG1 3.8Å; D615-T628 VanDerWaalsContact CA-OG1 3.31Å; D615-T628 WeakPolarHBondContact CA-OG1 2.96Å; D615-T628 VanDerWaalsContact CB-OG1 3.23Å; D615-T628 WeakPolarHBondContact CB-OG1 3.39Å; D615-T628 VanDerWaalsContact CG-OG1 3.3Å; D615-T628 WeakPolarHBondContact OD1-CB 3.4Å; D615-T628 PolarHBondContact OD1-OG1 3.28Å; D615-K633 WeakPolarHBondContact OD2-CD 3.33Å; D615-K633 WeakPolarHBondContact OD2-CE 3.45Å; D615-K633 IonicContact OD2-NZ 3.7Å; D615-K633 PolarHBondContact OD2-NZ 2.95Å
616	D	98.9	Very high	97.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	122.8	171.4	-64.5	-27.5	0	0	0	109.4	C395 S477 D478 L565 T588 L627 T628	C395-D616 PolarHBondContact SG-OD2 3.25Å; S477-D616 WeakPolarHBondContact CA-OD2 3.41Å; D478-D616 PolarHBondContact N-OD2 3.39Å; L565-D616 HydrophobicContact CD2-CB 4.04Å; L565-D616 WeakPolarHBondContact CD2-OD1 3.46Å; L565-D616 WeakPolarHBondContact CD2-OD2 3.33Å; T588-D616 WeakPolarHBondContact CG2-OD1 3.45Å; D616-L627 HydrophobicContact CB-CB 4.22Å; D616-L627 HydrophobicContact CB-CD1 4.42Å; D616-L627 PolarHBondContact O-N 3.33Å; D616-T628 HydrophobicContact CB-CG2 3.87Å; D616-T628 PolarHBondContact N-OG1 3.33Å; D616-T628 VanDerWaalsContact N-OG1 3.12Å
617	V	98.8	Very high	97.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	120.3	-172.8	-178.1	0	0	0	0	110.7	I508 I586 I587 V589 V624 E625 V626	I508-V617 HydrophobicContact CD1-CG2 4.48Å; I508-V617 HydrophobicContact CG1-CG2 4.35Å; I586-V617 VanDerWaalsContact CA-O 3.31Å; I586-V617 WeakPolarHBondContact CA-O 3.06Å; I587-V617 HydrophobicContact CG1-CB 4.42Å; I587-V617 PolarHBondContact N-O 3.18Å; I587-V617 PolarHBondContact O-N 3.06Å; V589-V617 HydrophobicContact CB-CG2 4.35Å; V589-V617 HydrophobicContact CG2-CB 4.29Å; V589-V617 HydrophobicContact CG2-CG2 3.75Å; V617-V624 HydrophobicContact CG1-CB 3.58Å; V617-V624 HydrophobicContact CG1-CG1 3.9Å; V617-V624 HydrophobicContact CG1-CG2 4.1Å; V617-E625 WeakPolarHBondContact CA-O 3.49Å; V617-V626 HydrophobicContact CG2-CG2 4.47Å
618	L	98.8	Very high	97.9	Very high	4 Å²	4	22.3 Å²	22.3	2%	0.021	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	125.6	170.5	170.9	68.4	0	0	0	110.3	I388 I586 T620 V624 E625 L627	I388-L618 HydrophobicContact CD1-CD1 4.07Å; I388-L618 HydrophobicContact CD1-CD2 4.4Å; I388-L618 HydrophobicContact CG1-CD1 4.11Å; I388-L618 HydrophobicContact CG1-CD2 4.5Å; I388-L618 HydrophobicContact CG2-CD2 3.62Å; I586-L618 HydrophobicContact CD1-CD1 4.22Å; I586-L618 HydrophobicContact CG1-CB 4.15Å; I586-L618 HydrophobicContact CG1-CD1 3.61Å; I586-L618 HydrophobicContact CG1-CG 4.49Å; L618-T620 HydrophobicContact CD2-CG2 4.15Å; L618-T620 HydrophobicContact CG-CG2 4.08Å; L618-V624 CarbonylContact O-C 3.5Å; L618-V624 VanDerWaalsContact O-CA 3.23Å; L618-V624 WeakPolarHBondContact O-CA 2.78Å; L618-E625 HydrophobicContact CB-CB 4.27Å; L618-E625 HydrophobicContact CD2-CB 4.46Å; L618-E625 PolarHBondContact N-O 2.81Å; L618-E625 PolarHBondContact O-N 3.23Å; L618-L627 HydrophobicContact CB-CD1 4.22Å; L618-L627 HydrophobicContact CB-CD2 4.07Å; L618-L627 HydrophobicContact CB-CG 4.17Å
619	I	98.7	Very high	97.9	Very high	10 Å²	10	27 Å²	27	5%	0.051	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	127.7	169.9	-51.3	-56.8	0	0	0	108.9	L581 P583 G584 V585 V624	L581-I619 HydrophobicContact CB-CG1 4.15Å; L581-I619 HydrophobicContact CB-CG2 4.44Å; L581-I619 HydrophobicContact CD1-CD1 4.09Å; L581-I619 HydrophobicContact CD1-CG1 4.32Å; P583-I619 CarbonylContact C-O 3.47Å; P583-I619 WeakPolarHBondContact CA-O 3.4Å; G584-I619 PolarHBondContact N-O 2.95Å; V585-I619 HydrophobicContact CB-CG1 4.36Å; V585-I619 WeakPolarHBondContact O-CG1 3.36Å; V585-I619 PolarHBondContact O-N 2.72Å; I619-V624 HydrophobicContact CD1-CG1 3.68Å
620	T	98.1	Very high	97.9	Very high	31 Å²	31	30 Å²	30	19%	0.19	17%	0.171	C	C	.	.			trans	-118.4	173.3	-179.5	72.7	0	0	0	0	111.1	R514 L618 T622 G623 E625	R514-T620 PolarHBondContact NH2-O 2.9Å; R514-T620 VanDerWaalsContact NH2-O 3.1Å; L618-T620 HydrophobicContact CD2-CG2 4.15Å; L618-T620 HydrophobicContact CG-CG2 4.08Å; T620-T622 PolarHBondContact O-N 2.84Å; T620-T622 PolarHBondContact OG1-N 2.82Å; T620-G623 PolarHBondContact N-O 2.97Å; T620-G623 VanDerWaalsContact OG1-C 3.31Å; T620-G623 PolarHBondContact OG1-N 3.48Å; T620-G623 VanDerWaalsContact OG1-N 3.09Å; T620-G623 PolarHBondContact OG1-O 3.02Å; T620-E625 HydrophobicContact CG2-CB 4.25Å
621	D	95.3	Very high	97.9	Very high	128 Å²	128	30 Å²	30	68%	0.684	17%	0.171	S	C	*	.	S	Bend	trans	-62	-29.6	174.7	-65.1	-55.6	0	0	0	112.7	R514 P583	R514-D621 VanDerWaalsContact NH2-C 3.29Å; R514-D621 PolarHBondContact NH2-O 2.83Å; P583-D621 WeakPolarHBondContact CB-OD1 3.23Å; P583-D621 WeakPolarHBondContact CG-OD1 3.49Å
622	T	92.6	Very high	97.8	Very high	135 Å²	135	31.2 Å²	31.2	83%	0.828	18%	0.179	S	C	*	.	S	Bend	trans	-108.4	-2	-174	54.9	0	0	0	0	114.2	T620	T620-T622 PolarHBondContact O-N 2.84Å; T620-T622 PolarHBondContact OG1-N 2.82Å
623	G	95.2	Very high	97.8	Very high	4 Å²	4	31.6 Å²	31.6	4%	0.041	18%	0.181	C	C	.	.	S	Bend	trans	155.3	-121.2	178.9	0	0	0	0	0	111.7	R512 T620	R512-G623 WeakPolarHBondContact O-CA 3.4Å; T620-G623 PolarHBondContact N-O 2.97Å; T620-G623 VanDerWaalsContact OG1-C 3.31Å; T620-G623 PolarHBondContact OG1-N 3.48Å; T620-G623 VanDerWaalsContact OG1-N 3.09Å; T620-G623 PolarHBondContact OG1-O 3.02Å
624	V	98.1	Very high	97.8	Very high	15 Å²	15	32.5 Å²	32.5	9%	0.091	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	146.4	179.3	-57	0	0	0	0	112.2	I508 L511 R512 V617 L618 I619	I508-V624 HydrophobicContact CG2-CG2 3.96Å; L511-V624 HydrophobicContact CB-CG1 3.8Å; R512-V624 HydrophobicContact CB-CG2 3.75Å; R512-V624 HydrophobicContact CG-CG2 4.19Å; V617-V624 HydrophobicContact CG1-CB 3.58Å; V617-V624 HydrophobicContact CG1-CG1 3.9Å; V617-V624 HydrophobicContact CG1-CG2 4.1Å; L618-V624 CarbonylContact O-C 3.5Å; L618-V624 VanDerWaalsContact O-CA 3.23Å; L618-V624 WeakPolarHBondContact O-CA 2.78Å; I619-V624 HydrophobicContact CD1-CG1 3.68Å
625	E	98.6	Very high	97.7	Very high	65 Å²	65	35.9 Å²	35.9	30%	0.304	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	125.3	168.5	178.8	-176.8	166.9	0	0	108.3	R392 V617 L618 T620 L627	R392-E625 IonicContact CZ-OE1 3.08Å; R392-E625 IonicContact CZ-OE2 2.97Å; R392-E625 IonicContact NE-OE1 2.79Å; R392-E625 PolarHBondContact NE-OE1 3.48Å; R392-E625 IonicContact NE-OE2 3.93Å; R392-E625 PolarHBondContact NE-OE2 3.38Å; R392-E625 IonicContact NH2-OE1 3.38Å; R392-E625 IonicContact NH2-OE2 3.89Å; R392-E625 PolarHBondContact NH2-OE2 2.91Å; V617-E625 WeakPolarHBondContact CA-O 3.49Å; L618-E625 HydrophobicContact CB-CB 4.27Å; L618-E625 HydrophobicContact CD2-CB 4.46Å; L618-E625 PolarHBondContact N-O 2.81Å; L618-E625 PolarHBondContact O-N 3.23Å; T620-E625 HydrophobicContact CG2-CB 4.25Å; E625-L627 HydrophobicContact CG-CD2 4.06Å; E625-L627 PolarHBondContact O-N 2.9Å
626	V	98.7	Very high	97.6	Very high	22 Å²	22	40.7 Å²	40.7	13%	0.133	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	107.6	173.7	-177.8	0	0	0	0	106.9	I508 D615 V617 T628 D629	I508-V626 HydrophobicContact CD1-CG2 4.28Å; I508-V626 HydrophobicContact CG2-CG2 3.86Å; D615-V626 HydrophobicContact CB-CG1 3.8Å; V617-V626 HydrophobicContact CG2-CG2 4.47Å; V626-T628 PolarHBondContact O-N 3.35Å; V626-D629 HydrophobicContact CB-CB 4.08Å; V626-D629 HydrophobicContact CG1-CB 4Å; V626-D629 WeakPolarHBondContact O-CB 3.46Å
627	L	98.8	Very high	97.5	Very high	13 Å²	13	44.6 Å²	44.6	7%	0.068	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-22.2	-172.6	-59.5	176.7	0	0	0	112.4	M391 R392 C395 I586 D616 L618 E625	M391-L627 HydrophobicContact CB-CD1 4.15Å; R392-L627 HydrophobicContact CG-CD2 3.67Å; C395-L627 HydrophobicContact CB-CB 3.66Å; C395-L627 WeakPolarHBondContact CB-O 3.43Å; C395-L627 VanDerWaalsContact SG-CB 3.57Å; I586-L627 HydrophobicContact CD1-CD1 4.02Å; I586-L627 HydrophobicContact CG1-CD1 4.48Å; I586-L627 HydrophobicContact CG2-CD1 4.04Å; D616-L627 HydrophobicContact CB-CB 4.22Å; D616-L627 HydrophobicContact CB-CD1 4.42Å; D616-L627 PolarHBondContact O-N 3.33Å; L618-L627 HydrophobicContact CB-CD1 4.22Å; L618-L627 HydrophobicContact CB-CD2 4.07Å; L618-L627 HydrophobicContact CB-CG 4.17Å; E625-L627 HydrophobicContact CG-CD2 4.06Å; E625-L627 PolarHBondContact O-N 2.9Å
628	T	98.7	Very high	97.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	18.3	-176.9	51	0	0	0	0	112.8	C395 S399 I479 D615 D616 V626 C630 C631	C395-T628 HydrophobicContact CB-CG2 3.68Å; S399-T628 WeakPolarHBondContact OG-CA 3.42Å; I479-T628 HydrophobicContact CD1-CG2 3.5Å; I479-T628 HydrophobicContact CG1-CG2 3.66Å; D615-T628 VanDerWaalsContact CA-OG1 3.31Å; D615-T628 WeakPolarHBondContact CA-OG1 2.96Å; D615-T628 VanDerWaalsContact CB-OG1 3.23Å; D615-T628 WeakPolarHBondContact CB-OG1 3.39Å; D615-T628 VanDerWaalsContact CG-OG1 3.3Å; D615-T628 WeakPolarHBondContact OD1-CB 3.4Å; D615-T628 PolarHBondContact OD1-OG1 3.28Å; D616-T628 HydrophobicContact CB-CG2 3.87Å; D616-T628 PolarHBondContact N-OG1 3.33Å; D616-T628 VanDerWaalsContact N-OG1 3.12Å; V626-T628 PolarHBondContact O-N 3.35Å; T628-C630 PolarHBondContact O-N 2.73Å; T628-C630 VanDerWaalsContact O-N 3.12Å; T628-C631 WeakPolarHBondContact O-CB 3.38Å; T628-C631 PolarHBondContact O-N 3.46Å
629	D	97.5	Very high	97.4	Very high	115 Å²	115	45.8 Å²	45.8	62%	0.615	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-25.5	-176.2	-168.1	52	0	0	0	113.3	V626 C631	V626-D629 HydrophobicContact CB-CB 4.08Å; V626-D629 HydrophobicContact CG1-CB 4Å; V626-D629 WeakPolarHBondContact O-CB 3.46Å; D629-C631 PolarHBondContact O-N 3.42Å
630	C	96.1	Very high	97.3	Very high	78 Å²	78	47.1 Å²	47.1	53%	0.527	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-7.6	176.2	60.3	0	0	0	0	114	S399 T628 P632	S399-C630 WeakPolarHBondContact CB-SG 3.45Å; T628-C630 PolarHBondContact O-N 2.73Å; T628-C630 VanDerWaalsContact O-N 3.12Å; C630-P632 WeakPolarHBondContact O-CD 3.42Å
631	C	98.4	Very high	97.1	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.007	27%	0.267	C	S	.	.	S	Bend	trans	-86.4	113.5	174	-168.2	0	0	0	0	110.8	M402 R481 T628 D629 K633	M402-C631 WeakPolarHBondContact CG-SG 3.42Å; R481-C631 PolarHBondContact NE-O 3.17Å; R481-C631 PolarHBondContact NE-SG 3.46Å; R481-C631 PolarHBondContact NH2-O 3.37Å; T628-C631 WeakPolarHBondContact O-CB 3.38Å; T628-C631 PolarHBondContact O-N 3.46Å; D629-C631 PolarHBondContact O-N 3.42Å; C631-K633 PolarHBondContact O-N 3.16Å
632	P	97.9	Very high	97	Very high	26 Å²	26	42.1 Å²	42.1	17%	0.169	24%	0.239	C	C	.	.			trans	-57.4	133.7	-174.1	-32.7	43.8	0	0	0	113.7	A403 R481 C630 D637 L638 L641	A403-P632 HydrophobicContact CB-CG 4.46Å; R481-P632 VanDerWaalsContact CD-O 3.23Å; R481-P632 WeakPolarHBondContact CD-O 3.24Å; R481-P632 PolarHBondContact NE-O 2.99Å; R481-P632 VanDerWaalsContact NE-O 3.09Å; C630-P632 WeakPolarHBondContact O-CD 3.42Å; P632-D637 HydrophobicContact CB-CB 3.86Å; P632-L638 HydrophobicContact CB-CD2 4.37Å; P632-L638 WeakPolarHBondContact O-CD2 3.26Å; P632-L641 HydrophobicContact CB-CD1 3.84Å; P632-L641 HydrophobicContact CG-CD1 3.69Å; P632-L641 HydrophobicContact CG-CG 4.5Å
633	K	97.9	Very high	96.8	Very high	16 Å²	16	42.4 Å²	42.4	7%	0.07	23%	0.225	C	C	.	.			trans	-143	-10.1	179.5	59.2	173.7	-179.7	-177.9	0	115	Y497 Y501 I613 D615 C631	Y497-K633 VanDerWaalsContact CE1-O 3.25Å; Y497-K633 WeakPolarHBondContact CE1-O 3.37Å; Y497-K633 VanDerWaalsContact CZ-O 3.29Å; Y497-K633 PolarHBondContact OH-O 3.48Å; Y501-K633 HydrophobicContact CE2-CD 4.01Å; Y501-K633 HydrophobicContact CE2-CG 3.9Å; I613-K633 HydrophobicContact CG2-CB 4.12Å; I613-K633 HydrophobicContact CG2-CD 4.02Å; D615-K633 WeakPolarHBondContact OD2-CD 3.33Å; D615-K633 WeakPolarHBondContact OD2-CE 3.45Å; D615-K633 IonicContact OD2-NZ 3.7Å; D615-K633 PolarHBondContact OD2-NZ 2.95Å; C631-K633 PolarHBondContact O-N 3.16Å
634	S	97.9	Very high	95.6	Very high	19 Å²	19	52.9 Å²	52.9	13%	0.133	26%	0.263	C	S	.	.	S	Bend	trans	-73	149.3	169.1	84.9	0	0	0	0	109	T636 D637 L638	S634-T636 PolarHBondContact O-N 2.79Å; S634-D637 WeakPolarHBondContact CB-OD2 3.44Å; S634-D637 PolarHBondContact O-N 3.05Å; S634-D637 VanDerWaalsContact O-N 3.17Å; S634-D637 PolarHBondContact OG-N 3.36Å; S634-D637 VanDerWaalsContact OG-N 3.07Å; S634-D637 PolarHBondContact OG-OD2 3.45Å; S634-L638 WeakPolarHBondContact O-CB 3.38Å; S634-L638 WeakPolarHBondContact O-CG 3.37Å; S634-L638 PolarHBondContact O-N 3Å
635	R	97.7	Very high	95.5	Very high	72 Å²	72	54.8 Å²	54.8	27%	0.272	27%	0.272	S	S	.	.	H	α-helix	trans	-56.6	-40.9	175.3	-69	-165.9	-68	114.9	-5.3	111.5	F489 Y497 D498 D637 L638 E639	F489-R635 HydrophobicContact CD2-CB 4.22Å; F489-R635 HydrophobicContact CD2-CG 3.97Å; F489-R635 HydrophobicContact CE2-CB 4.01Å; F489-R635 HydrophobicContact CE2-CG 3.73Å; F489-R635 HydrophobicContact CZ-CG 4.13Å; Y497-R635 HydrophobicContact CD1-CG 3.3Å; Y497-R635 HydrophobicContact CE1-CG 3.72Å; Y497-R635 HydrophobicContact CG-CG 4.04Å; D498-R635 IonicContact OD1-CZ 3.49Å; D498-R635 IonicContact OD1-NE 3.44Å; D498-R635 PolarHBondContact OD1-NE 3.03Å; D498-R635 IonicContact OD1-NH2 2.71Å; D498-R635 PolarHBondContact OD1-NH2 3.12Å; D498-R635 IonicContact OD2-CZ 3.98Å; D498-R635 IonicContact OD2-NE 2.87Å; D498-R635 PolarHBondContact OD2-NE 3.45Å; D498-R635 IonicContact OD2-NH2 2.66Å; D498-R635 PolarHBondContact OD2-NH2 2.86Å; R635-D637 VanDerWaalsContact C-N 3.33Å; R635-D637 PolarHBondContact O-N 3.04Å; R635-L638 PolarHBondContact O-N 3.4Å; R635-E639 WeakPolarHBondContact O-CB 3.46Å; R635-E639 VanDerWaalsContact O-CG 3.25Å; R635-E639 WeakPolarHBondContact O-CG 3.37Å; R635-E639 PolarHBondContact O-N 2.78Å
636	T	97.3	Very high	95.3	Very high	101 Å²	101	54.3 Å²	54.3	62%	0.62	27%	0.27	S	S	*	.	H	α-helix	trans	-56.8	-46.9	178.1	-55.7	0	0	0	0	111.6	S634 A640	S634-T636 PolarHBondContact O-N 2.79Å; T636-A640 WeakPolarHBondContact O-CB 3.18Å; T636-A640 PolarHBondContact O-N 3.44Å
637	D	97.2	Very high	95.1	Very high	81 Å²	81	56.1 Å²	56.1	43%	0.433	28%	0.278	S	S	.	.	H	α-helix	trans	-72.3	-40.8	-178.4	-57	-40.8	0	0	0	111.7	P632 S634 R635 A640 L641	P632-D637 HydrophobicContact CB-CB 3.86Å; S634-D637 WeakPolarHBondContact CB-OD2 3.44Å; S634-D637 PolarHBondContact O-N 3.05Å; S634-D637 VanDerWaalsContact O-N 3.17Å; S634-D637 PolarHBondContact OG-N 3.36Å; S634-D637 VanDerWaalsContact OG-N 3.07Å; S634-D637 PolarHBondContact OG-OD2 3.45Å; R635-D637 VanDerWaalsContact C-N 3.33Å; R635-D637 PolarHBondContact O-N 3.04Å; D637-A640 PolarHBondContact O-N 3.32Å; D637-L641 PolarHBondContact O-N 3.01Å
638	L	98	Very high	94.9	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-60.4	-53	175.8	-70.9	175.5	0	0	0	110.6	I406 T482 W483 F489 Y497 P632 S634 R635 A640 L641 R642	I406-L638 HydrophobicContact CD1-CD2 3.98Å; I406-L638 HydrophobicContact CG2-CD2 4.19Å; T482-L638 WeakPolarHBondContact O-CD1 3.45Å; W483-L638 HydrophobicContact CB-CD1 4.32Å; W483-L638 HydrophobicContact CB-CD2 4.19Å; F489-L638 HydrophobicContact CE2-CB 4.28Å; F489-L638 HydrophobicContact CE2-CD1 4.28Å; F489-L638 HydrophobicContact CZ-CD1 3.87Å; Y497-L638 HydrophobicContact CE1-CD1 4.43Å; Y497-L638 HydrophobicContact CE2-CD1 4.17Å; Y497-L638 WeakPolarHBondContact OH-CD1 3.47Å; P632-L638 HydrophobicContact CB-CD2 4.37Å; P632-L638 WeakPolarHBondContact O-CD2 3.26Å; S634-L638 WeakPolarHBondContact O-CB 3.38Å; S634-L638 WeakPolarHBondContact O-CG 3.37Å; S634-L638 PolarHBondContact O-N 3Å; R635-L638 PolarHBondContact O-N 3.4Å; L638-A640 VanDerWaalsContact C-N 3.28Å; L638-A640 PolarHBondContact O-N 3.28Å; L638-L641 WeakPolarHBondContact O-CB 3.43Å; L638-L641 PolarHBondContact O-N 3.1Å; L638-L641 VanDerWaalsContact O-N 3.07Å; L638-R642 VanDerWaalsContact O-CG 3.3Å; L638-R642 WeakPolarHBondContact O-CG 3.42Å; L638-R642 PolarHBondContact O-N 3.23Å
639	E	97.1	Very high	94.7	Very high	29 Å²	29	62.3 Å²	62.3	14%	0.136	31%	0.308	C	S	.	.	H	α-helix	trans	-63.1	-33.6	177.9	-66.4	-173.7	171.4	0	0	112.8	F489 R635 L641 R642 R643	F489-E639 HydrophobicContact CD2-CG 4.02Å; F489-E639 HydrophobicContact CE2-CG 4.31Å; F489-E639 PolarHBondContact N-OE1 3.48Å; R635-E639 WeakPolarHBondContact O-CB 3.46Å; R635-E639 VanDerWaalsContact O-CG 3.25Å; R635-E639 WeakPolarHBondContact O-CG 3.37Å; R635-E639 PolarHBondContact O-N 2.78Å; E639-L641 VanDerWaalsContact C-N 3.34Å; E639-R642 PolarHBondContact O-N 3.21Å; E639-R643 WeakPolarHBondContact O-CG 3.36Å; E639-R643 PolarHBondContact O-N 3.48Å; E639-R643 VanDerWaalsContact O-N 3.07Å; E639-R643 PolarHBondContact O-NE 3.25Å; E639-R643 IonicContact OE2-NH1 2.78Å; E639-R643 PolarHBondContact OE2-NH1 3.13Å
640	A	95.8	Very high	94.5	Very high	39 Å²	39	58.7 Å²	58.7	32%	0.322	29%	0.287	S	S	.	.	H	α-helix	trans	-65.5	-36.9	173.6	0	0	0	0	0	112.3	T636 D637 L638	T636-A640 WeakPolarHBondContact O-CB 3.18Å; T636-A640 PolarHBondContact O-N 3.44Å; D637-A640 PolarHBondContact O-N 3.32Å; L638-A640 VanDerWaalsContact C-N 3.28Å; L638-A640 PolarHBondContact O-N 3.28Å
641	L	94.1	Very high	94.4	Very high	30 Å²	30	57.4 Å²	57.4	16%	0.157	27%	0.27	C	S	.	.	H	α-helix	trans	-65.9	-41.8	170.7	-76.9	179.5	0	0	0	111.8	I406 P632 D637 L638 E639 R643 R644	I406-L641 HydrophobicContact CB-CD1 4.42Å; I406-L641 HydrophobicContact CG2-CB 4.38Å; I406-L641 HydrophobicContact CG2-CD1 4.02Å; P632-L641 HydrophobicContact CB-CD1 3.84Å; P632-L641 HydrophobicContact CG-CD1 3.69Å; P632-L641 HydrophobicContact CG-CG 4.5Å; D637-L641 PolarHBondContact O-N 3.01Å; L638-L641 WeakPolarHBondContact O-CB 3.43Å; L638-L641 PolarHBondContact O-N 3.1Å; L638-L641 VanDerWaalsContact O-N 3.07Å; E639-L641 VanDerWaalsContact C-N 3.34Å; L641-R643 VanDerWaalsContact C-N 3.3Å; L641-R643 PolarHBondContact O-N 3.3Å; L641-R644 PolarHBondContact O-N 3.33Å
642	R	92.3	Very high	94.1	Very high	23 Å²	23	61.7 Å²	61.7	9%	0.087	29%	0.291	C	S	.	.	H	α-helix	trans	-69.4	-22.2	-178.6	-59.1	-54.3	-68.9	131.3	8	114.1	I406 K407 S409 P484 S485 L638 E639	I406-R642 PolarHBondContact O-NH1 3.38Å; K407-R642 PolarHBondContact O-NH1 3.46Å; S409-R642 PolarHBondContact O-NH1 3.25Å; S409-R642 PolarHBondContact O-NH2 3.29Å; S409-R642 PolarHBondContact OG-NH1 2.98Å; S409-R642 VanDerWaalsContact OG-NH1 3.09Å; P484-R642 HydrophobicContact CG-CG 4.43Å; P484-R642 PolarHBondContact O-NE 2.74Å; S485-R642 PolarHBondContact O-NH2 3.41Å; L638-R642 VanDerWaalsContact O-CG 3.3Å; L638-R642 WeakPolarHBondContact O-CG 3.42Å; L638-R642 PolarHBondContact O-N 3.23Å; E639-R642 PolarHBondContact O-N 3.21Å
643	R	89.1	Confident	93.7	Very high	141 Å²	141	64.7 Å²	64.7	53%	0.532	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-8.6	-180	-78.1	-174.8	-72.5	-106	-0.5	114.7	E639 L641	E639-R643 WeakPolarHBondContact O-CG 3.36Å; E639-R643 PolarHBondContact O-N 3.48Å; E639-R643 VanDerWaalsContact O-N 3.07Å; E639-R643 PolarHBondContact O-NE 3.25Å; E639-R643 IonicContact OE2-NH1 2.78Å; E639-R643 PolarHBondContact OE2-NH1 3.13Å; L641-R643 VanDerWaalsContact C-N 3.3Å; L641-R643 PolarHBondContact O-N 3.3Å
644	R	70.7	Confident	93.4	Very high	225 Å²	225	69.1 Å²	69.1	85%	0.849	32%	0.322	S	S	*	.			trans	-101.1	0	-178.5	-69.1	-178.8	178.9	-171.3	0.9	111	L641	L641-R644 PolarHBondContact O-N 3.33Å

Retrieved 644 of 644 residues in 121 ms (Link to these results)

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