X2JDA5_DROME Loading...

Glutamine synthetase

AlphaFold DB , UniProt , Accession X2JDA5, Species DROME (Drosophila melanogaster, Fruit fly), Gene Gs2, Length 373 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	38.3	Very low	56	Low	238 Å²	238	127.9 Å²	127.9	100%	1.172	69%	0.689	S	S	*	*				0	73.8	0	-68.5	173.4	-176.6	0	0	107.1
2	H	37.3	Very low	58.5	Low	193 Å²	193	125.6 Å²	125.6	89%	0.894	68%	0.677	S	S	*	*				59.7	98	102.1	-87.3	23.3	0	0	0	113.7
3	S	39.2	Very low	60.9	Low	100 Å²	100	115.9 Å²	115.9	70%	0.699	63%	0.625	S	S	*	*			trans	47.9	100.8	148.9	-170.4	0	0	0	0	116.6	M5	S3-M5 PolarHBondContact O-N 2.76Å
4	A	42.9	Very low	62.9	Low	101 Å²	101	112.8 Å²	112.8	84%	0.835	61%	0.613	S	S	*	*			trans	-52.6	107	150	0	0	0	0	0	107.2	S6	A4-S6 PolarHBondContact O-N 2.65Å
5	M	44.4	Very low	64.7	Low	178 Å²	178	108.4 Å²	108.4	88%	0.877	59%	0.589	S	S	*	*			trans	-64	93.2	171.8	-78.6	-166.8	-93.7	0	0	106.8	S3 A7	S3-M5 PolarHBondContact O-N 2.76Å; M5-A7 PolarHBondContact O-N 2.94Å
6	S	47.4	Very low	66.2	Low	103 Å²	103	104.1 Å²	104.1	72%	0.72	57%	0.573	S	S	*	*			trans	-61.5	96.9	160.6	177.6	0	0	0	0	106	A4 R8	A4-S6 PolarHBondContact O-N 2.65Å; S6-R8 PolarHBondContact O-N 3.08Å
7	A	52.4	Low	67.6	Low	52 Å²	52	108.1 Å²	108.1	43%	0.43	58%	0.577	S	S	.	*	P	Polyproline II helix	trans	-51.2	129.7	170	0	0	0	0	0	108.1	M5 K161	M5-A7 PolarHBondContact O-N 2.94Å; A7-K161 HydrophobicContact CB-CG 4.28Å
8	R	68.6	Low	68.9	Low	200 Å²	200	107.7 Å²	107.7	76%	0.755	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-90.5	138.1	-175	-64.4	-179.2	-177.3	-179.5	1	108.2	S6 L10 E11	S6-R8 PolarHBondContact O-N 3.08Å; R8-L10 PolarHBondContact O-N 3.5Å; R8-E11 WeakPolarHBondContact O-CB 3.46Å; R8-E11 PolarHBondContact O-N 3.01Å
9	I	77.8	Confident	70.1	Confident	102 Å²	102	106.7 Å²	106.7	52%	0.523	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	-55.3	140.3	171.1	-59.8	167.2	0	0	0	108.1	E11 L157	I9-E11 VanDerWaalsContact C-N 3.26Å; I9-E11 PolarHBondContact O-N 3.3Å; I9-L157 HydrophobicContact CG2-CD1 3.66Å
10	L	82.8	Confident	71.1	Confident	45 Å²	45	105.9 Å²	105.9	24%	0.236	56%	0.56	C	S	.	*	T	Hydrogen-bonded Turn	trans	68.2	16.3	179.8	-41.6	177.1	0	0	0	115.1	R8 D12 S13 A16 D151 L157 I244	R8-L10 PolarHBondContact O-N 3.5Å; L10-D12 VanDerWaalsContact C-N 3.25Å; L10-D12 PolarHBondContact O-N 3.16Å; L10-S13 PolarHBondContact O-N 3.21Å; L10-S13 VanDerWaalsContact O-N 3.16Å; L10-A16 HydrophobicContact CB-CB 3.68Å; L10-A16 HydrophobicContact CD1-CB 3.78Å; L10-A16 HydrophobicContact CG-CB 4.28Å; L10-D151 PolarHBondContact N-OD1 3.24Å; L10-D151 PolarHBondContact N-OD2 2.98Å; L10-L157 HydrophobicContact CD2-CD1 4.46Å; L10-I244 HydrophobicContact CD2-CG2 3.3Å
11	E	84.8	Confident	72.2	Confident	95 Å²	95	105.2 Å²	105.2	44%	0.444	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	-56	-43.6	178.8	-176	164.4	-172.3	0	0	111.2	R8 I9 S13 R17	R8-E11 WeakPolarHBondContact O-CB 3.46Å; R8-E11 PolarHBondContact O-N 3.01Å; I9-E11 VanDerWaalsContact C-N 3.26Å; I9-E11 PolarHBondContact O-N 3.3Å; E11-S13 VanDerWaalsContact C-N 3.32Å; E11-S13 PolarHBondContact O-N 2.83Å; E11-R17 PolarHBondContact O-NE 2.87Å; E11-R17 PolarHBondContact O-NH2 3.28Å
12	D	85.8	Confident	74.9	Confident	100 Å²	100	98 Å²	98	54%	0.535	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-0.1	-177.2	-59.2	-46.3	0	0	0	114	L10 P14 F152	L10-D12 VanDerWaalsContact C-N 3.25Å; L10-D12 PolarHBondContact O-N 3.16Å; D12-P14 WeakPolarHBondContact O-CD 3.48Å; D12-F152 HydrophobicContact CB-CB 4.42Å; D12-F152 WeakPolarHBondContact O-CD1 3.36Å
13	S	90.4	Very high	77.5	Confident	0 Å²	0	93.3 Å²	93.3	0%	0	51%	0.506	C	S	.	.			trans	-85.1	110.1	-179.1	-177.3	0	0	0	0	111.4	L10 E11 N15 A16 G243	L10-S13 PolarHBondContact O-N 3.21Å; L10-S13 VanDerWaalsContact O-N 3.16Å; E11-S13 VanDerWaalsContact C-N 3.32Å; E11-S13 PolarHBondContact O-N 2.83Å; S13-N15 VanDerWaalsContact C-N 3.25Å; S13-N15 PolarHBondContact O-N 3.36Å; S13-A16 PolarHBondContact O-N 2.8Å; S13-A16 PolarHBondContact OG-N 3.37Å; S13-G243 WeakPolarHBondContact CB-O 3.39Å; S13-G243 VanDerWaalsContact OG-C 3.31Å; S13-G243 WeakPolarHBondContact OG-CA 3.25Å; S13-G243 PolarHBondContact OG-O 3.36Å
14	P	88.6	Confident	80.1	Confident	72 Å²	72	93 Å²	93	47%	0.468	50%	0.497	S	S	.	.	H	α-helix	trans	-63.5	-36.7	175.8	26	-33.4	0	0	0	111	D12 A16 R17 I18	D12-P14 WeakPolarHBondContact O-CD 3.48Å; P14-A16 PolarHBondContact O-N 2.9Å; P14-R17 PolarHBondContact O-N 3.28Å; P14-I18 WeakPolarHBondContact O-CG1 3.49Å; P14-I18 PolarHBondContact O-N 2.96Å
15	N	89.6	Confident	82.6	Confident	47 Å²	47	96.6 Å²	96.6	25%	0.251	49%	0.489	S	S	.	.	H	α-helix	trans	-66.2	-36.6	-178.3	-72.4	-17.9	0	0	0	112.5	S13 R17 I18 K20 E240	S13-N15 VanDerWaalsContact C-N 3.25Å; S13-N15 PolarHBondContact O-N 3.36Å; N15-R17 PolarHBondContact O-N 3.36Å; N15-I18 PolarHBondContact O-N 3.33Å; N15-K20 WeakPolarHBondContact O-CE 3.5Å; N15-K20 PolarHBondContact O-NZ 3.05Å; N15-E240 WeakPolarHBondContact CB-O 3.4Å; N15-E240 WeakPolarHBondContact ND2-CG 3.41Å; N15-E240 PolarHBondContact ND2-O 3.35Å
16	A	88.8	Confident	85.1	Confident	39 Å²	39	95 Å²	95	32%	0.322	47%	0.474	S	S	.	.	H	α-helix	trans	-66.4	-26	177.3	0	0	0	0	0	112.9	L10 S13 P14	L10-A16 HydrophobicContact CB-CB 3.68Å; L10-A16 HydrophobicContact CD1-CB 3.78Å; L10-A16 HydrophobicContact CG-CB 4.28Å; S13-A16 PolarHBondContact O-N 2.8Å; S13-A16 PolarHBondContact OG-N 3.37Å; P14-A16 PolarHBondContact O-N 2.9Å
17	R	90.1	Very high	87.3	Confident	173 Å²	173	93.7 Å²	93.7	65%	0.653	46%	0.459	S	S	*	.	H	α-helix	trans	-85	-19.1	-178	-64.8	179.3	178.6	-142.7	2.1	113.6	E11 P14 N15	E11-R17 PolarHBondContact O-NE 2.87Å; E11-R17 PolarHBondContact O-NH2 3.28Å; P14-R17 PolarHBondContact O-N 3.28Å; N15-R17 PolarHBondContact O-N 3.36Å
18	I	90.8	Very high	89.3	Confident	100 Å²	100	95.4 Å²	95.4	51%	0.513	47%	0.467	S	S	.	.	S	Bend	trans	-72.9	130	179.5	-65.4	169.5	0	0	0	109.7	P14 N15 K20	P14-I18 WeakPolarHBondContact O-CG1 3.49Å; P14-I18 PolarHBondContact O-N 2.96Å; N15-I18 PolarHBondContact O-N 3.33Å; I18-K20 PolarHBondContact O-N 3.38Å
19	N	92.1	Very high	90.6	Very high	90 Å²	90	90.7 Å²	90.7	48%	0.481	46%	0.457	S	S	.	.			trans	-66.4	105.4	175.4	-177.4	-9.4	0	0	0	110.9	T21 I22	N19-T21 VanDerWaalsContact C-N 3.32Å; N19-T21 PolarHBondContact O-N 2.96Å; N19-T21 PolarHBondContact OD1-N 2.99Å; N19-T21 PolarHBondContact OD1-OG1 3.13Å; N19-I22 HydrophobicContact CB-CD1 3.93Å; N19-I22 HydrophobicContact CB-CG1 4.17Å; N19-I22 PolarHBondContact O-N 2.86Å
20	K	89.5	Confident	91.3	Very high	90 Å²	90	91.8 Å²	91.8	39%	0.391	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-28.3	-176	-55.1	-57.6	-172.8	169.3	0	113.7	N15 I18 I22 L23 E241	N15-K20 WeakPolarHBondContact O-CE 3.5Å; N15-K20 PolarHBondContact O-NZ 3.05Å; I18-K20 PolarHBondContact O-N 3.38Å; K20-I22 PolarHBondContact O-N 3.32Å; K20-L23 PolarHBondContact O-N 3Å; K20-E241 WeakPolarHBondContact CE-O 3.49Å; K20-E241 PolarHBondContact NZ-O 3.16Å; K20-E241 VanDerWaalsContact NZ-O 3.13Å
21	T	94	Very high	91.7	Very high	91 Å²	91	94.6 Å²	94.6	56%	0.558	49%	0.485	S	S	*	.	H	α-helix	trans	-73.2	-14.1	-175.9	75.2	0	0	0	0	113.1	N19 L23	N19-T21 VanDerWaalsContact C-N 3.32Å; N19-T21 PolarHBondContact O-N 2.96Å; N19-T21 PolarHBondContact OD1-N 2.99Å; N19-T21 PolarHBondContact OD1-OG1 3.13Å; T21-L23 VanDerWaalsContact C-N 3.26Å; T21-L23 PolarHBondContact O-N 3.18Å
22	I	94.9	Very high	92.1	Very high	88 Å²	88	96.6 Å²	96.6	45%	0.451	49%	0.494	S	S	.	.	H	α-helix	trans	-65.9	-35.1	175.5	-65.3	177.6	0	0	0	110.2	N19 K20 D24 R25 Y26	N19-I22 HydrophobicContact CB-CD1 3.93Å; N19-I22 HydrophobicContact CB-CG1 4.17Å; N19-I22 PolarHBondContact O-N 2.86Å; K20-I22 PolarHBondContact O-N 3.32Å; I22-D24 VanDerWaalsContact C-N 3.31Å; I22-D24 PolarHBondContact O-N 2.85Å; I22-R25 PolarHBondContact O-N 3.46Å; I22-Y26 HydrophobicContact CG2-CE2 4.24Å; I22-Y26 WeakPolarHBondContact O-CD2 3.09Å
23	L	93.5	Very high	92.3	Very high	94 Å²	94	99.3 Å²	99.3	49%	0.492	50%	0.504	S	S	.	.	H	α-helix	trans	-66.6	-32.6	-178	-176.7	58.5	0	0	0	112.3	K20 T21 R25 Y26 L27	K20-L23 PolarHBondContact O-N 3Å; T21-L23 VanDerWaalsContact C-N 3.26Å; T21-L23 PolarHBondContact O-N 3.18Å; L23-R25 PolarHBondContact O-N 2.84Å; L23-R25 VanDerWaalsContact O-N 3.14Å; L23-Y26 PolarHBondContact O-N 3.24Å; L23-L27 HydrophobicContact CD1-CG 4.2Å; L23-L27 HydrophobicContact CD2-CD1 3.96Å; L23-L27 HydrophobicContact CG-CD1 3.74Å; L23-L27 HydrophobicContact CG-CG 3.9Å; L23-L27 PolarHBondContact O-N 3.41Å
24	D	93.6	Very high	92.4	Very high	93 Å²	93	102.9 Å²	102.9	50%	0.497	52%	0.523	S	S	.	.	H	α-helix	trans	-56.6	-33.3	-179.7	-65.1	-28.7	0	0	0	113	I22 Y26 S28	I22-D24 VanDerWaalsContact C-N 3.31Å; I22-D24 PolarHBondContact O-N 2.85Å; D24-Y26 PolarHBondContact O-N 3.36Å; D24-S28 VanDerWaalsContact O-CB 3.28Å; D24-S28 WeakPolarHBondContact O-CB 3.44Å; D24-S28 PolarHBondContact O-N 3.47Å; D24-S28 PolarHBondContact O-OG 3.12Å
25	R	95.6	Very high	92.8	Very high	177 Å²	177	101.8 Å²	101.8	67%	0.668	51%	0.513	S	S	*	.	H	α-helix	trans	-61.4	-29.9	176.6	-65.9	176.3	58.3	-176.1	-4.1	112.8	I22 L23 S28	I22-R25 PolarHBondContact O-N 3.46Å; L23-R25 PolarHBondContact O-N 2.84Å; L23-R25 VanDerWaalsContact O-N 3.14Å; R25-S28 PolarHBondContact O-OG 3.42Å
26	Y	95.8	Very high	93.2	Very high	144 Å²	144	99.6 Å²	99.6	57%	0.565	50%	0.501	S	S	*	.	H	α-helix	trans	-93.9	-39.7	-179.3	-58.5	-78.7	0	0	0	111.3	I22 L23 D24 S28 L29	I22-Y26 HydrophobicContact CG2-CE2 4.24Å; I22-Y26 WeakPolarHBondContact O-CD2 3.09Å; L23-Y26 PolarHBondContact O-N 3.24Å; D24-Y26 PolarHBondContact O-N 3.36Å; Y26-S28 PolarHBondContact O-N 3.04Å; Y26-L29 HydrophobicContact CD1-CD1 4.46Å; Y26-L29 WeakPolarHBondContact O-CB 3.21Å; Y26-L29 WeakPolarHBondContact O-CG 3.29Å; Y26-L29 PolarHBondContact O-N 2.79Å; Y26-L29 VanDerWaalsContact O-N 3.15Å
27	L	93.6	Very high	93.7	Very high	76 Å²	76	100.7 Å²	100.7	40%	0.398	50%	0.499	S	S	.	.	H	α-helix	trans	-67.2	-18.9	176.4	-68.2	179	0	0	0	113.6	L23	L23-L27 HydrophobicContact CD1-CG 4.2Å; L23-L27 HydrophobicContact CD2-CD1 3.96Å; L23-L27 HydrophobicContact CG-CD1 3.74Å; L23-L27 HydrophobicContact CG-CG 3.9Å; L23-L27 PolarHBondContact O-N 3.41Å
28	S	94.1	Very high	94.1	Very high	87 Å²	87	92.5 Å²	92.5	61%	0.608	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-3.2	175.3	55.4	0	0	0	0	114.1	D24 R25 Y26	D24-S28 VanDerWaalsContact O-CB 3.28Å; D24-S28 WeakPolarHBondContact O-CB 3.44Å; D24-S28 PolarHBondContact O-N 3.47Å; D24-S28 PolarHBondContact O-OG 3.12Å; R25-S28 PolarHBondContact O-OG 3.42Å; Y26-S28 PolarHBondContact O-N 3.04Å
29	L	95.7	Very high	94.5	Very high	102 Å²	102	87.9 Å²	87.9	53%	0.534	45%	0.445	S	S	.	.	S	Bend	trans	-65.5	131.9	175.2	-67.3	172.4	0	0	0	109.9	Y26 L31	Y26-L29 HydrophobicContact CD1-CD1 4.46Å; Y26-L29 WeakPolarHBondContact O-CB 3.21Å; Y26-L29 WeakPolarHBondContact O-CG 3.29Å; Y26-L29 PolarHBondContact O-N 2.79Å; Y26-L29 VanDerWaalsContact O-N 3.15Å; L29-L31 PolarHBondContact O-N 3.1Å
30	P	93.2	Very high	94.8	Very high	125 Å²	125	83.6 Å²	83.6	81%	0.812	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-67.2	127.8	177	27.9	-33.3	0	0	0	109.8
31	L	91.3	Very high	95.3	Very high	103 Å²	103	79.3 Å²	79.3	54%	0.539	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-95.6	157.7	169.8	-59.4	-178.6	0	0	0	109.9	L29	L29-L31 PolarHBondContact O-N 3.1Å
32	Q	93.6	Very high	95.5	Very high	137 Å²	137	75.4 Å²	75.4	64%	0.64	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-63.6	138	169.1	-65.1	176.9	12.3	0	0	109.1	N34 I35	Q32-N34 VanDerWaalsContact C-N 3.25Å; Q32-N34 PolarHBondContact O-N 3.04Å; Q32-I35 HydrophobicContact CB-CB 4.27Å; Q32-I35 HydrophobicContact CB-CG1 3.71Å; Q32-I35 PolarHBondContact O-N 3.02Å
33	E	89.2	Confident	95.7	Very high	158 Å²	158	71.8 Å²	71.8	74%	0.738	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-35.3	-169.8	-175.1	175.2	-173.4	0	0	113.8	N103	E33-N103 PolarHBondContact O-ND2 3.42Å
34	N	93.6	Very high	95.9	Very high	74 Å²	74	67.3 Å²	67.3	40%	0.396	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-6.1	-179.9	68.2	-53.1	0	0	0	113.9	Q32 D58 F59	Q32-N34 VanDerWaalsContact C-N 3.25Å; Q32-N34 PolarHBondContact O-N 3.04Å; N34-D58 PolarHBondContact ND2-O 3.23Å; N34-D58 CarbonylContact O-C 3.58Å; N34-F59 WeakPolarHBondContact O-CA 3.42Å; N34-F59 PolarHBondContact O-N 3.32Å
35	I	97.1	Very high	96.2	Very high	50 Å²	50	64 Å²	64	26%	0.256	32%	0.324	S	S	.	.			trans	-87.6	115.4	177	-61.8	-65.5	0	0	0	108.9	Q32 T56 L57 D58	Q32-I35 HydrophobicContact CB-CB 4.27Å; Q32-I35 HydrophobicContact CB-CG1 3.71Å; Q32-I35 PolarHBondContact O-N 3.02Å; I35-T56 HydrophobicContact CG2-CG2 3.66Å; I35-L57 WeakPolarHBondContact CA-O 3.48Å; I35-D58 HydrophobicContact CD1-CB 4.4Å
36	V	97.9	Very high	96.3	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	130.2	-175.6	169.1	0	0	0	0	109.8	T56 L57 I60 N103 I105	V36-T56 CarbonylContact O-C 3.56Å; V36-T56 WeakPolarHBondContact O-CA 3.48Å; V36-L57 HydrophobicContact CB-CB 4.25Å; V36-L57 HydrophobicContact CG1-CD1 4.37Å; V36-L57 PolarHBondContact N-O 3.06Å; V36-L57 PolarHBondContact O-N 2.95Å; V36-I60 HydrophobicContact CG2-CB 4.45Å; V36-I60 HydrophobicContact CG2-CG1 3.92Å; V36-N103 VanDerWaalsContact CG1-O 3.28Å; V36-N103 WeakPolarHBondContact CG1-O 3.26Å; V36-N103 HydrophobicContact CG2-CB 3.86Å; V36-N103 WeakPolarHBondContact CG2-O 3.39Å; V36-I105 HydrophobicContact CG1-CG1 4.13Å
37	Q	98.6	Very high	96.4	Very high	63 Å²	63	51.6 Å²	51.6	29%	0.294	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	121.4	164.4	-58.8	-179.8	-95.8	0	0	108.4	N104 I105	Q37-N104 WeakPolarHBondContact CB-OD1 3.44Å; Q37-N104 PolarHBondContact N-OD1 2.91Å; Q37-N104 WeakPolarHBondContact O-CA 3.44Å; Q37-I105 PolarHBondContact O-N 3.13Å
38	A	98.8	Very high	96.6	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	113	176.4	0	0	0	0	0	109.9	Y40 D54 R55 L57 I105 V107	A38-Y40 HydrophobicContact CB-CD2 4.33Å; A38-Y40 HydrophobicContact CB-CE2 3.97Å; A38-D54 WeakPolarHBondContact O-CA 3.46Å; A38-R55 HydrophobicContact CB-CG 4.17Å; A38-R55 PolarHBondContact N-O 2.98Å; A38-R55 PolarHBondContact O-N 3.33Å; A38-L57 HydrophobicContact CB-CD1 3.81Å; A38-L57 HydrophobicContact CB-CG 4.18Å; A38-I105 WeakPolarHBondContact CA-O 2.92Å; A38-I105 HydrophobicContact CB-CD1 3.99Å; A38-I105 HydrophobicContact CB-CG1 3.73Å; A38-V107 HydrophobicContact CB-CG2 4.26Å
39	T	98.9	Very high	96.8	Very high	3 Å²	3	50.9 Å²	50.9	2%	0.018	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	110.4	174.1	-55.6	0	0	0	0	109.7	V41 C52 K53 D54 R100 I105 L106 V107 F233	T39-V41 HydrophobicContact CG2-CG2 4.12Å; T39-C52 HydrophobicContact CG2-CB 3.75Å; T39-K53 CarbonylContact C-O 3.59Å; T39-K53 WeakPolarHBondContact CA-O 3.32Å; T39-D54 WeakPolarHBondContact CB-OD1 3.37Å; T39-D54 PolarHBondContact OG1-OD1 2.77Å; T39-R100 PolarHBondContact OG1-NH1 3.35Å; T39-I105 PolarHBondContact N-O 3.01Å; T39-L106 HydrophobicContact CG2-CD2 4.2Å; T39-L106 CarbonylContact O-C 3.59Å; T39-L106 WeakPolarHBondContact O-CA 3.48Å; T39-V107 PolarHBondContact O-N 3.48Å; T39-F233 HydrophobicContact CG2-CZ 4.33Å
40	Y	98.9	Very high	97	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	127.8	174.7	-77.6	-131.5	0	0	0	108.3	A38 C52 K53 R55 P68 W70 L89 P91 V107 C109	A38-Y40 HydrophobicContact CB-CD2 4.33Å; A38-Y40 HydrophobicContact CB-CE2 3.97Å; Y40-C52 CarbonylContact O-C 3.59Å; Y40-C52 WeakPolarHBondContact O-CA 3.26Å; Y40-C52 WeakPolarHBondContact O-CB 3.5Å; Y40-K53 PolarHBondContact N-O 3.16Å; Y40-K53 PolarHBondContact O-N 2.95Å; Y40-R55 HydrophobicContact CD2-CG 4.3Å; Y40-R55 VanDerWaalsContact CE2-CD 3.48Å; Y40-R55 HydrophobicContact CE2-CG 3.86Å; Y40-P68 WeakPolarHBondContact CE1-O 3.48Å; Y40-P68 WeakPolarHBondContact OH-CD 3.41Å; Y40-P68 PolarHBondContact OH-O 3.07Å; Y40-W70 HydrophobicContact CD1-CB 4.29Å; Y40-W70 HydrophobicContact CD1-CE3 4.12Å; Y40-W70 HydrophobicContact CD2-CE3 4.08Å; Y40-W70 HydrophobicContact CD2-CZ3 4.34Å; Y40-W70 HydrophobicContact CE1-CB 4.12Å; Y40-W70 HydrophobicContact CE1-CE3 4.44Å; Y40-W70 HydrophobicContact CE2-CE3 4.43Å; Y40-W70 AromaticContact CG-CE3 3.94Å; Y40-W70 HydrophobicContact CG-CE3 3.94Å; Y40-W70 HydrophobicContact CG-CZ3 4.43Å; Y40-L89 HydrophobicContact CD1-CB 4.22Å; Y40-L89 HydrophobicContact CD1-CD1 4.34Å; Y40-P91 HydrophobicContact CE1-CG 3.71Å; Y40-V107 HydrophobicContact CD2-CB 4.1Å; Y40-V107 HydrophobicContact CD2-CG2 4.15Å; Y40-V107 HydrophobicContact CE2-CB 4.34Å; Y40-V107 HydrophobicContact CE2-CG1 4.49Å; Y40-V107 HydrophobicContact CE2-CG2 4.09Å; Y40-V107 HydrophobicContact CG-CB 4.32Å; Y40-C109 WeakPolarHBondContact CD1-SG 3.46Å
41	V	98.9	Very high	97.2	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	135.3	-177.2	-175.7	0	0	0	0	108.9	T39 L50 R51 C52 V107 C109 M230 F233	T39-V41 HydrophobicContact CG2-CG2 4.12Å; V41-L50 HydrophobicContact CG1-CD2 4.2Å; V41-R51 WeakPolarHBondContact CA-O 3.38Å; V41-C52 HydrophobicContact CG2-CB 3.99Å; V41-V107 PolarHBondContact N-O 3.19Å; V41-C109 WeakPolarHBondContact O-CB 3.39Å; V41-C109 PolarHBondContact O-N 3.3Å; V41-M230 HydrophobicContact CB-SD 4.01Å; V41-M230 HydrophobicContact CG1-SD 4.06Å; V41-M230 HydrophobicContact CG2-CE 4.14Å; V41-M230 HydrophobicContact CG2-SD 4.3Å; V41-F233 HydrophobicContact CG1-CB 4.3Å; V41-F233 HydrophobicContact CG1-CD2 3.68Å; V41-F233 HydrophobicContact CG1-CE2 4.14Å; V41-F233 HydrophobicContact CG1-CG 3.96Å; V41-F233 HydrophobicContact CG2-CD1 4.16Å; V41-F233 HydrophobicContact CG2-CD2 4.14Å; V41-F233 HydrophobicContact CG2-CE1 3.94Å; V41-F233 HydrophobicContact CG2-CE2 3.93Å; V41-F233 HydrophobicContact CG2-CG 4.24Å; V41-F233 HydrophobicContact CG2-CZ 3.82Å
42	W	98.9	Very high	97.6	Very high	10 Å²	10	42.7 Å²	42.7	4%	0.038	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	162.8	179	70.4	98.7	0	0	0	112.4	L50 R51 C52 K53 Y72 L89 C109 T111	W42-L50 CarbonylContact O-C 3.59Å; W42-L50 WeakPolarHBondContact O-CA 3.48Å; W42-R51 HydrophobicContact CD2-CB 3.83Å; W42-R51 HydrophobicContact CE3-CB 4.24Å; W42-R51 HydrophobicContact CG-CB 4.46Å; W42-R51 HydrophobicContact CH2-CB 3.78Å; W42-R51 HydrophobicContact CZ2-CB 3.33Å; W42-R51 HydrophobicContact CZ2-CG 4.16Å; W42-R51 HydrophobicContact CZ3-CB 4.21Å; W42-R51 PolarHBondContact N-O 3.18Å; W42-R51 PolarHBondContact O-N 3.07Å; W42-C52 VanDerWaalsContact CZ3-CA 3.48Å; W42-K53 HydrophobicContact CH2-CD 4.43Å; W42-K53 HydrophobicContact CH2-CG 4.18Å; W42-K53 HydrophobicContact CZ3-CG 3.99Å; W42-Y72 AromaticContact CD1-CZ 3.81Å; W42-Y72 AromaticContact CE2-CD2 3.98Å; W42-Y72 AromaticContact CE2-CE2 3.97Å; W42-Y72 HydrophobicContact CZ2-CD1 4.36Å; W42-Y72 AromaticContact CZ2-CD2 3.79Å; W42-Y72 HydrophobicContact CZ2-CD2 3.79Å; W42-Y72 HydrophobicContact CZ2-CE2 4.23Å; W42-Y72 AromaticContact CZ2-CG 3.85Å; W42-Y72 HydrophobicContact CZ2-CG 3.85Å; W42-Y72 AromaticContact NE1-CD2 3.86Å; W42-Y72 AromaticContact NE1-CE1 3.92Å; W42-Y72 AromaticContact NE1-CE2 3.38Å; W42-Y72 AromaticContact NE1-CZ 3.4Å; W42-L89 HydrophobicContact CB-CD2 3.61Å; W42-L89 HydrophobicContact CD2-CD1 4.36Å; W42-L89 HydrophobicContact CD2-CD2 3.65Å; W42-L89 HydrophobicContact CE3-CD1 3.89Å; W42-L89 HydrophobicContact CE3-CD2 3.89Å; W42-L89 HydrophobicContact CG-CD2 3.55Å; W42-L89 HydrophobicContact CZ3-CD1 4.08Å; W42-C109 HydrophobicContact CB-CB 4.43Å; W42-T111 HydrophobicContact CB-CG2 3.74Å; W42-T111 HydrophobicContact CG-CG2 3.93Å
43	I	98.9	Very high	97.9	Very high	12 Å²	12	38.9 Å²	38.9	6%	0.062	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	131.9	176	-54.3	157.6	0	0	0	108.6	L50 Q79 M108 W229 Y359	I43-L50 HydrophobicContact CG1-CD2 3.87Å; I43-Q79 PolarHBondContact O-NE2 2.92Å; I43-M108 HydrophobicContact CD1-CE 4.03Å; I43-M108 HydrophobicContact CG1-CE 4.16Å; I43-W229 HydrophobicContact CD1-CD2 3.84Å; I43-W229 HydrophobicContact CD1-CG 4.14Å; I43-W229 HydrophobicContact CD1-CH2 4.42Å; I43-W229 HydrophobicContact CD1-CZ2 3.72Å; I43-W229 HydrophobicContact CG1-CD2 4Å; I43-W229 HydrophobicContact CG1-CE3 4.24Å; I43-W229 HydrophobicContact CG1-CH2 4.3Å; I43-W229 HydrophobicContact CG1-CZ2 4.09Å; I43-W229 HydrophobicContact CG1-CZ3 4.38Å; I43-W229 HydrophobicContact CG2-CH2 4.29Å; I43-W229 HydrophobicContact CG2-CZ2 4.41Å; I43-Y359 HydrophobicContact CD1-CE2 4.23Å
44	D	98.5	Very high	98.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.186	C	C	.	.			trans	-82.8	-171.6	179.6	80.1	14.5	0	0	0	113.4	T46 G47 D49 R51 C77 T121	D44-T46 PolarHBondContact O-N 3.37Å; D44-T46 VanDerWaalsContact OD1-CB 3.27Å; D44-T46 WeakPolarHBondContact OD1-CB 3.38Å; D44-T46 WeakPolarHBondContact OD1-CG2 3.36Å; D44-T46 PolarHBondContact OD1-N 3.39Å; D44-T46 PolarHBondContact OD1-OG1 3.31Å; D44-G47 PolarHBondContact O-N 2.96Å; D44-D49 PolarHBondContact N-O 3.17Å; D44-R51 HydrophobicContact CB-CG 3.81Å; D44-R51 IonicContact OD2-CZ 3.6Å; D44-R51 IonicContact OD2-NE 3.59Å; D44-R51 PolarHBondContact OD2-NE 3.29Å; D44-R51 IonicContact OD2-NH2 3.76Å; D44-R51 PolarHBondContact OD2-NH2 3.45Å; D44-C77 HydrophobicContact CB-CB 4.18Å; D44-T121 WeakPolarHBondContact O-CB 3.39Å; D44-T121 WeakPolarHBondContact O-CG2 3.35Å; D44-T121 PolarHBondContact O-OG1 3.47Å
45	G	98.4	Very high	98.5	Very high	24 Å²	24	34.4 Å²	34.4	25%	0.247	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-9.6	-176.7	0	0	0	0	0	115	G47 C77 Q79 T121	G45-G47 VanDerWaalsContact C-N 3.31Å; G45-C77 WeakPolarHBondContact CA-O 3.41Å; G45-C77 PolarHBondContact N-O 2.91Å; G45-Q79 VanDerWaalsContact CA-CG 3.45Å; G45-T121 WeakPolarHBondContact O-CG2 3.37Å
46	T	98.3	Very high	98.6	Very high	51 Å²	51	36.6 Å²	36.6	31%	0.313	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-29.5	169.8	66.8	0	0	0	0	111.4	D44 E48 D49 Y78	D44-T46 PolarHBondContact O-N 3.37Å; D44-T46 VanDerWaalsContact OD1-CB 3.27Å; D44-T46 WeakPolarHBondContact OD1-CB 3.38Å; D44-T46 WeakPolarHBondContact OD1-CG2 3.36Å; D44-T46 PolarHBondContact OD1-N 3.39Å; D44-T46 PolarHBondContact OD1-OG1 3.31Å; T46-E48 PolarHBondContact OG1-N 2.93Å; T46-D49 PolarHBondContact OG1-N 3.48Å; T46-Y78 HydrophobicContact CG2-CD2 3.92Å; T46-Y78 HydrophobicContact CG2-CE2 4.12Å
47	G	98.4	Very high	98.6	Very high	9 Å²	9	37 Å²	37	9%	0.093	20%	0.197	C	C	.	.	S	Bend	trans	77.2	4.2	-169.8	0	0	0	0	0	113.7	D44 G45	D44-G47 PolarHBondContact O-N 2.96Å; G45-G47 VanDerWaalsContact C-N 3.31Å
48	E	98.3	Very high	98.6	Very high	59 Å²	59	39.5 Å²	39.5	28%	0.276	21%	0.212	S	C	.	.	S	Bend	trans	-116.7	-46.1	-177.6	-68.5	-175	-99	0	0	111.1	T46 W229 P300 N355	T46-E48 PolarHBondContact OG1-N 2.93Å; E48-W229 WeakPolarHBondContact O-CZ3 3.23Å; E48-P300 HydrophobicContact CG-CB 4Å; E48-P300 HydrophobicContact CG-CG 3.49Å; E48-P300 VanDerWaalsContact CG-CG 3.49Å; E48-N355 PolarHBondContact OE2-ND2 3.16Å
49	D	97.9	Very high	98.5	Very high	89 Å²	89	42.7 Å²	42.7	48%	0.476	23%	0.226	S	C	.	.			trans	-88.7	146.2	-171.6	-69.6	-35.8	0	0	0	113	D44 T46	D44-D49 PolarHBondContact N-O 3.17Å; T46-D49 PolarHBondContact OG1-N 3.48Å
50	L	98.8	Very high	98.4	Very high	32 Å²	32	45.5 Å²	45.5	17%	0.168	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	142.7	176.6	-67.7	165.3	0	0	0	110.9	V41 W42 I43 W229 R232 F233	V41-L50 HydrophobicContact CG1-CD2 4.2Å; W42-L50 CarbonylContact O-C 3.59Å; W42-L50 WeakPolarHBondContact O-CA 3.48Å; I43-L50 HydrophobicContact CG1-CD2 3.87Å; L50-W229 HydrophobicContact CD1-CE3 4.03Å; L50-W229 HydrophobicContact CD1-CZ3 4.46Å; L50-W229 WeakPolarHBondContact CD1-O 3.45Å; L50-W229 HydrophobicContact CD2-CD2 4.45Å; L50-W229 HydrophobicContact CD2-CE3 3.73Å; L50-W229 HydrophobicContact CD2-CZ3 4.16Å; L50-W229 HydrophobicContact CG-CE3 4Å; L50-W229 HydrophobicContact CG-CZ3 4.15Å; L50-R232 HydrophobicContact CD1-CB 4.25Å; L50-F233 HydrophobicContact CD1-CB 3.8Å
51	R	98.9	Very high	98.3	Very high	72 Å²	72	46 Å²	46	27%	0.272	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	155.1	174.3	-55	-63.6	-174.9	105.3	2.1	109.1	V41 W42 D44 S76	V41-R51 WeakPolarHBondContact CA-O 3.38Å; W42-R51 HydrophobicContact CD2-CB 3.83Å; W42-R51 HydrophobicContact CE3-CB 4.24Å; W42-R51 HydrophobicContact CG-CB 4.46Å; W42-R51 HydrophobicContact CH2-CB 3.78Å; W42-R51 HydrophobicContact CZ2-CB 3.33Å; W42-R51 HydrophobicContact CZ2-CG 4.16Å; W42-R51 HydrophobicContact CZ3-CB 4.21Å; W42-R51 PolarHBondContact N-O 3.18Å; W42-R51 PolarHBondContact O-N 3.07Å; D44-R51 HydrophobicContact CB-CG 3.81Å; D44-R51 IonicContact OD2-CZ 3.6Å; D44-R51 IonicContact OD2-NE 3.59Å; D44-R51 PolarHBondContact OD2-NE 3.29Å; D44-R51 IonicContact OD2-NH2 3.76Å; D44-R51 PolarHBondContact OD2-NH2 3.45Å; R51-S76 PolarHBondContact NH1-O 3.04Å
52	C	98.8	Very high	98.2	Very high	53 Å²	53	53 Å²	53	36%	0.358	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	159.4	175	71.5	0	0	0	0	113.4	T39 Y40 V41 W42 F233	T39-C52 HydrophobicContact CG2-CB 3.75Å; Y40-C52 CarbonylContact O-C 3.59Å; Y40-C52 WeakPolarHBondContact O-CA 3.26Å; Y40-C52 WeakPolarHBondContact O-CB 3.5Å; V41-C52 HydrophobicContact CG2-CB 3.99Å; W42-C52 VanDerWaalsContact CZ3-CA 3.48Å; C52-F233 HydrophobicContact CB-CE2 3.77Å; C52-F233 HydrophobicContact CB-CZ 4.03Å
53	K	98.8	Very high	98.1	Very high	58 Å²	58	54.3 Å²	54.3	25%	0.252	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	161.4	168	65.5	176.7	-176.3	163.2	0	111.8	T39 Y40 W42 W70 N71	T39-K53 CarbonylContact C-O 3.59Å; T39-K53 WeakPolarHBondContact CA-O 3.32Å; Y40-K53 PolarHBondContact N-O 3.16Å; Y40-K53 PolarHBondContact O-N 2.95Å; W42-K53 HydrophobicContact CH2-CD 4.43Å; W42-K53 HydrophobicContact CH2-CG 4.18Å; W42-K53 HydrophobicContact CZ3-CG 3.99Å; K53-W70 HydrophobicContact CD-CE3 4.5Å; K53-W70 HydrophobicContact CD-CH2 3.81Å; K53-W70 HydrophobicContact CD-CZ2 4.12Å; K53-W70 HydrophobicContact CD-CZ3 4.05Å; K53-W70 HydrophobicContact CG-CE3 4.37Å; K53-W70 HydrophobicContact CG-CH2 3.86Å; K53-W70 HydrophobicContact CG-CZ3 3.74Å; K53-W70 VanDerWaalsContact NZ-CE2 3.3Å; K53-N71 WeakPolarHBondContact CE-O 3.19Å; K53-N71 PolarHBondContact NZ-O 2.91Å
54	D	98.6	Very high	98	Very high	72 Å²	72	55.5 Å²	55.5	39%	0.385	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	138.2	-172.2	-53.6	-58.5	0	0	0	113.2	A38 T39 W70 R100	A38-D54 WeakPolarHBondContact O-CA 3.46Å; T39-D54 WeakPolarHBondContact CB-OD1 3.37Å; T39-D54 PolarHBondContact OG1-OD1 2.77Å; D54-W70 VanDerWaalsContact O-CH2 3.23Å; D54-W70 WeakPolarHBondContact O-CH2 3.48Å; D54-R100 IonicContact OD1-CZ 3.85Å; D54-R100 IonicContact OD1-NH1 3.21Å; D54-R100 IonicContact OD1-NH2 3.64Å; D54-R100 PolarHBondContact OD1-NH2 3.44Å; D54-R100 IonicContact OD2-CZ 2.73Å; D54-R100 IonicContact OD2-NH2 2.76Å; D54-R100 PolarHBondContact OD2-NH2 3.03Å
55	R	98.4	Very high	98	Very high	65 Å²	65	65.1 Å²	65.1	25%	0.245	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	157.4	161.7	64.7	-173.1	-56.4	155.6	0.9	111.4	A38 Y40 L57 P68 W70	A38-R55 HydrophobicContact CB-CG 4.17Å; A38-R55 PolarHBondContact N-O 2.98Å; A38-R55 PolarHBondContact O-N 3.33Å; Y40-R55 HydrophobicContact CD2-CG 4.3Å; Y40-R55 VanDerWaalsContact CE2-CD 3.48Å; Y40-R55 HydrophobicContact CE2-CG 3.86Å; R55-L57 HydrophobicContact CG-CD2 4.23Å; R55-P68 VanDerWaalsContact NH1-CG 3.27Å; R55-W70 HydrophobicContact CB-CE3 4.14Å; R55-W70 HydrophobicContact CB-CH2 3.58Å; R55-W70 HydrophobicContact CB-CZ2 4.2Å; R55-W70 HydrophobicContact CB-CZ3 3.51Å; R55-W70 HydrophobicContact CG-CE3 4.14Å; R55-W70 HydrophobicContact CG-CH2 4.41Å; R55-W70 HydrophobicContact CG-CZ3 3.84Å
56	T	98.6	Very high	98	Very high	97 Å²	97	68 Å²	68	60%	0.595	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91	136.3	169.4	-49.2	0	0	0	0	109.9	I35 V36	I35-T56 HydrophobicContact CG2-CG2 3.66Å; V36-T56 CarbonylContact O-C 3.56Å; V36-T56 WeakPolarHBondContact O-CA 3.48Å
57	L	98.4	Very high	98	Very high	9 Å²	9	66 Å²	66	5%	0.047	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	150	169.2	-52.8	175.1	0	0	0	108.7	I35 V36 A38 R55 F59 P61 L67 P68	I35-L57 WeakPolarHBondContact CA-O 3.48Å; V36-L57 HydrophobicContact CB-CB 4.25Å; V36-L57 HydrophobicContact CG1-CD1 4.37Å; V36-L57 PolarHBondContact N-O 3.06Å; V36-L57 PolarHBondContact O-N 2.95Å; A38-L57 HydrophobicContact CB-CD1 3.81Å; A38-L57 HydrophobicContact CB-CG 4.18Å; R55-L57 HydrophobicContact CG-CD2 4.23Å; L57-F59 HydrophobicContact CB-CD1 4.43Å; L57-F59 HydrophobicContact CB-CE1 4.39Å; L57-F59 HydrophobicContact CD2-CE1 4.45Å; L57-P61 HydrophobicContact CD1-CG 4.11Å; L57-L67 HydrophobicContact CD1-CD2 3.46Å; L57-L67 VanDerWaalsContact CD1-CD2 3.46Å; L57-P68 HydrophobicContact CD2-CG 4.13Å
58	D	97.4	Very high	98	Very high	115 Å²	115	67.5 Å²	67.5	62%	0.615	34%	0.34	S	S	*	.	S	Bend	trans	-101.3	12.6	177.4	60.5	-15.6	0	0	0	113.5	N34 I35	N34-D58 PolarHBondContact ND2-O 3.23Å; N34-D58 CarbonylContact O-C 3.58Å; I35-D58 HydrophobicContact CD1-CB 4.4Å
59	F	97.3	Very high	98	Very high	67 Å²	67	68 Å²	68	29%	0.294	35%	0.347	S	S	.	.	S	Bend	trans	-144.2	163.4	175	68	-82.1	0	0	0	111.1	N34 L57 P61 E66	N34-F59 WeakPolarHBondContact O-CA 3.42Å; N34-F59 PolarHBondContact O-N 3.32Å; L57-F59 HydrophobicContact CB-CD1 4.43Å; L57-F59 HydrophobicContact CB-CE1 4.39Å; L57-F59 HydrophobicContact CD2-CE1 4.45Å; F59-P61 HydrophobicContact CD2-CB 4.32Å; F59-P61 HydrophobicContact CE2-CB 3.74Å; F59-P61 WeakPolarHBondContact O-CD 3.46Å; F59-E66 HydrophobicContact CE2-CB 4.08Å
60	I	97.3	Very high	98	Very high	62 Å²	62	66.5 Å²	66.5	32%	0.318	34%	0.335	S	S	.	.			trans	-94.6	105.2	174.2	-54.6	169.1	0	0	0	108.5	V36 Q62 N103	V36-I60 HydrophobicContact CG2-CB 4.45Å; V36-I60 HydrophobicContact CG2-CG1 3.92Å; I60-Q62 PolarHBondContact O-NE2 3.38Å; I60-Q62 VanDerWaalsContact O-NE2 3.13Å; I60-N103 HydrophobicContact CD1-CB 4.25Å; I60-N103 VanDerWaalsContact CD1-ND2 3.26Å; I60-N103 WeakPolarHBondContact CD1-ND2 3.26Å; I60-N103 HydrophobicContact CG1-CB 4.21Å
61	P	97	Very high	98	Very high	9 Å²	9	67.8 Å²	67.8	6%	0.058	34%	0.342	C	S	.	.			trans	-68.1	138.6	-177.3	29.3	-36	0	0	0	111.1	L57 F59 E66 L67 I94 I105	L57-P61 HydrophobicContact CD1-CG 4.11Å; F59-P61 HydrophobicContact CD2-CB 4.32Å; F59-P61 HydrophobicContact CE2-CB 3.74Å; F59-P61 WeakPolarHBondContact O-CD 3.46Å; P61-E66 WeakPolarHBondContact CA-OE2 3.37Å; P61-L67 HydrophobicContact CB-CD2 3.9Å; P61-L67 HydrophobicContact CB-CG 4.19Å; P61-L67 HydrophobicContact CG-CD2 3.87Å; P61-I94 HydrophobicContact CB-CD1 4.21Å; P61-I94 HydrophobicContact CG-CD1 4.38Å; P61-I105 HydrophobicContact CG-CD1 3.42Å; P61-I105 VanDerWaalsContact CG-CD1 3.42Å
62	Q	95.4	Very high	98	Very high	149 Å²	149	65 Å²	65	70%	0.696	33%	0.331	S	S	*	.	S	Bend	trans	-99.1	-20.2	176.7	-58.4	-55.7	-58	0	0	112.6	I60 E66	I60-Q62 PolarHBondContact O-NE2 3.38Å; I60-Q62 VanDerWaalsContact O-NE2 3.13Å; Q62-E66 PolarHBondContact N-OE2 3.17Å
63	S	97.5	Very high	98	Very high	37 Å²	37	65.4 Å²	65.4	26%	0.259	33%	0.33	S	S	.	.	S	Bend	trans	-146.7	154	-178.8	70.4	0	0	0	0	112.2	K65 E66	S63-K65 PolarHBondContact O-N 2.83Å; S63-K65 VanDerWaalsContact O-N 3.07Å; S63-E66 PolarHBondContact N-OE1 3.46Å; S63-E66 PolarHBondContact O-N 3.41Å; S63-E66 VanDerWaalsContact O-N 3.13Å; S63-E66 PolarHBondContact OG-OE1 3.5Å
64	P	97.9	Very high	98	Very high	36 Å²	36	62.7 Å²	62.7	23%	0.234	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-55.6	-26.6	175.6	-24.6	31.6	0	0	0	113.7	E66 L67 P91 I94	P64-E66 VanDerWaalsContact C-N 3.29Å; P64-E66 PolarHBondContact O-N 3.03Å; P64-L67 WeakPolarHBondContact O-CB 3.5Å; P64-L67 PolarHBondContact O-N 3.38Å; P64-L67 VanDerWaalsContact O-N 3.17Å; P64-P91 HydrophobicContact CB-CB 4.26Å; P64-I94 HydrophobicContact CG-CD1 4.37Å; P64-I94 HydrophobicContact CG-CG1 4.09Å
65	K	97.8	Very high	97.9	Very high	202 Å²	202	61.4 Å²	61.4	88%	0.878	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-70.1	-23.1	-178.7	-65	-180	-179.5	176.2	0	113.9	S63 L67	S63-K65 PolarHBondContact O-N 2.83Å; S63-K65 VanDerWaalsContact O-N 3.07Å; K65-L67 VanDerWaalsContact C-N 3.28Å
66	E	98.2	Very high	97.9	Very high	85 Å²	85	62 Å²	62	40%	0.397	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-79.7	-17.7	175.5	-69.1	156	-131.8	0	0	111.8	F59 P61 Q62 S63 P64	F59-E66 HydrophobicContact CE2-CB 4.08Å; P61-E66 WeakPolarHBondContact CA-OE2 3.37Å; Q62-E66 PolarHBondContact N-OE2 3.17Å; S63-E66 PolarHBondContact N-OE1 3.46Å; S63-E66 PolarHBondContact O-N 3.41Å; S63-E66 VanDerWaalsContact O-N 3.13Å; S63-E66 PolarHBondContact OG-OE1 3.5Å; P64-E66 VanDerWaalsContact C-N 3.29Å; P64-E66 PolarHBondContact O-N 3.03Å
67	L	98.6	Very high	97.8	Very high	9 Å²	9	57.7 Å²	57.7	5%	0.047	30%	0.303	C	S	.	.	S	Bend	trans	-76.4	134.1	-178.1	-71.7	174.4	0	0	0	110.7	L57 P61 P64 K65 V69 P91 I94 I105 V107	L57-L67 HydrophobicContact CD1-CD2 3.46Å; L57-L67 VanDerWaalsContact CD1-CD2 3.46Å; P61-L67 HydrophobicContact CB-CD2 3.9Å; P61-L67 HydrophobicContact CB-CG 4.19Å; P61-L67 HydrophobicContact CG-CD2 3.87Å; P64-L67 WeakPolarHBondContact O-CB 3.5Å; P64-L67 PolarHBondContact O-N 3.38Å; P64-L67 VanDerWaalsContact O-N 3.17Å; K65-L67 VanDerWaalsContact C-N 3.28Å; L67-V69 PolarHBondContact O-N 3.13Å; L67-P91 HydrophobicContact CB-CB 3.8Å; L67-P91 HydrophobicContact CB-CG 3.57Å; L67-P91 HydrophobicContact CD1-CB 3.96Å; L67-P91 HydrophobicContact CD1-CG 4.38Å; L67-I94 HydrophobicContact CD1-CD1 3.6Å; L67-I94 HydrophobicContact CD1-CG1 3.64Å; L67-I94 HydrophobicContact CG-CD1 4.15Å; L67-I105 HydrophobicContact CD1-CD1 4.29Å; L67-I105 HydrophobicContact CD2-CD1 4.08Å; L67-V107 HydrophobicContact CD1-CB 4.19Å; L67-V107 HydrophobicContact CD1-CG1 3.51Å; L67-V107 HydrophobicContact CD1-CG2 3.54Å
68	P	98.5	Very high	97.8	Very high	41 Å²	41	65.3 Å²	65.3	27%	0.266	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-65	137.6	177.3	25.4	-34.1	0	0	0	111.1	Y40 R55 L57	Y40-P68 WeakPolarHBondContact CE1-O 3.48Å; Y40-P68 WeakPolarHBondContact OH-CD 3.41Å; Y40-P68 PolarHBondContact OH-O 3.07Å; R55-P68 VanDerWaalsContact NH1-CG 3.27Å; L57-P68 HydrophobicContact CD2-CG 4.13Å
69	V	98.6	Very high	97.8	Very high	70 Å²	70	60.9 Å²	60.9	42%	0.424	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-56.5	141.7	162.2	175.9	0	0	0	0	108.3	L67 Y88 L89 Y90	L67-V69 PolarHBondContact O-N 3.13Å; V69-Y88 HydrophobicContact CG1-CD1 4.24Å; V69-L89 WeakPolarHBondContact CA-O 3.37Å; V69-L89 WeakPolarHBondContact CG1-O 3.39Å; V69-Y90 HydrophobicContact CG1-CD2 4.37Å; V69-Y90 HydrophobicContact CG1-CE1 4.35Å; V69-Y90 HydrophobicContact CG1-CE2 4.15Å; V69-Y90 HydrophobicContact CG2-CD1 3.76Å; V69-Y90 HydrophobicContact CG2-CE1 3.75Å; V69-Y90 HydrophobicContact CG2-CG 4.35Å
70	W	98.5	Very high	97.7	Very high	57 Å²	57	59.2 Å²	59.2	22%	0.216	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	179.8	177.3	-154.4	1.3	0	0	0	110.6	Y40 K53 D54 R55 Y88 L89	Y40-W70 HydrophobicContact CD1-CB 4.29Å; Y40-W70 HydrophobicContact CD1-CE3 4.12Å; Y40-W70 HydrophobicContact CD2-CE3 4.08Å; Y40-W70 HydrophobicContact CD2-CZ3 4.34Å; Y40-W70 HydrophobicContact CE1-CB 4.12Å; Y40-W70 HydrophobicContact CE1-CE3 4.44Å; Y40-W70 HydrophobicContact CE2-CE3 4.43Å; Y40-W70 AromaticContact CG-CE3 3.94Å; Y40-W70 HydrophobicContact CG-CE3 3.94Å; Y40-W70 HydrophobicContact CG-CZ3 4.43Å; K53-W70 HydrophobicContact CD-CE3 4.5Å; K53-W70 HydrophobicContact CD-CH2 3.81Å; K53-W70 HydrophobicContact CD-CZ2 4.12Å; K53-W70 HydrophobicContact CD-CZ3 4.05Å; K53-W70 HydrophobicContact CG-CE3 4.37Å; K53-W70 HydrophobicContact CG-CH2 3.86Å; K53-W70 HydrophobicContact CG-CZ3 3.74Å; K53-W70 VanDerWaalsContact NZ-CE2 3.3Å; D54-W70 VanDerWaalsContact O-CH2 3.23Å; D54-W70 WeakPolarHBondContact O-CH2 3.48Å; R55-W70 HydrophobicContact CB-CE3 4.14Å; R55-W70 HydrophobicContact CB-CH2 3.58Å; R55-W70 HydrophobicContact CB-CZ2 4.2Å; R55-W70 HydrophobicContact CB-CZ3 3.51Å; R55-W70 HydrophobicContact CG-CE3 4.14Å; R55-W70 HydrophobicContact CG-CH2 4.41Å; R55-W70 HydrophobicContact CG-CZ3 3.84Å; W70-Y88 CarbonylContact O-C 3.53Å; W70-Y88 WeakPolarHBondContact O-CA 3.26Å; W70-L89 HydrophobicContact CB-CB 4.41Å; W70-L89 PolarHBondContact N-O 3.42Å; W70-L89 VanDerWaalsContact N-O 3.08Å; W70-L89 PolarHBondContact O-N 3.29Å
71	N	98.4	Very high	97.5	Very high	59 Å²	59	63.4 Å²	63.4	32%	0.316	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	162	-179.9	70.7	-61.9	0	0	0	110.1	K53 D86 T87 Y88	K53-N71 WeakPolarHBondContact CE-O 3.19Å; K53-N71 PolarHBondContact NZ-O 2.91Å; N71-D86 PolarHBondContact ND2-OD1 3.16Å; N71-T87 CarbonylContact C-O 3.1Å; N71-T87 WeakPolarHBondContact CA-O 3.39Å; N71-Y88 HydrophobicContact CB-CD1 4.07Å; N71-Y88 HydrophobicContact CB-CE1 4.26Å
72	Y	98.6	Very high	97.2	Very high	13 Å²	13	65.9 Å²	65.9	5%	0.051	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	169.7	172.2	65	-76.2	0	0	0	109.7	W42 G74 C77 Q79 T87 L89 T111	W42-Y72 AromaticContact CD1-CZ 3.81Å; W42-Y72 AromaticContact CE2-CD2 3.98Å; W42-Y72 AromaticContact CE2-CE2 3.97Å; W42-Y72 HydrophobicContact CZ2-CD1 4.36Å; W42-Y72 AromaticContact CZ2-CD2 3.79Å; W42-Y72 HydrophobicContact CZ2-CD2 3.79Å; W42-Y72 HydrophobicContact CZ2-CE2 4.23Å; W42-Y72 AromaticContact CZ2-CG 3.85Å; W42-Y72 HydrophobicContact CZ2-CG 3.85Å; W42-Y72 AromaticContact NE1-CD2 3.86Å; W42-Y72 AromaticContact NE1-CE1 3.92Å; W42-Y72 AromaticContact NE1-CE2 3.38Å; W42-Y72 AromaticContact NE1-CZ 3.4Å; Y72-G74 PolarHBondContact O-N 2.87Å; Y72-C77 HydrophobicContact CD2-CB 4.37Å; Y72-C77 HydrophobicContact CE2-CB 3.85Å; Y72-Q79 PolarHBondContact OH-OE1 2.94Å; Y72-T87 WeakPolarHBondContact CD1-O 3.46Å; Y72-T87 HydrophobicContact CE1-CG2 3.58Å; Y72-T87 HydrophobicContact CE2-CG2 4.3Å; Y72-T87 VanDerWaalsContact CZ-CG2 3.42Å; Y72-T87 PolarHBondContact N-O 2.84Å; Y72-T87 PolarHBondContact O-N 3.07Å; Y72-T87 WeakPolarHBondContact OH-CG2 3.38Å; Y72-L89 HydrophobicContact CD1-CD1 3.94Å; Y72-L89 HydrophobicContact CD1-CD2 3.81Å; Y72-L89 HydrophobicContact CD1-CG 3.65Å; Y72-L89 HydrophobicContact CE1-CD2 3.59Å; Y72-L89 HydrophobicContact CE1-CG 3.87Å; Y72-T111 HydrophobicContact CE1-CG2 4.13Å; Y72-T111 WeakPolarHBondContact OH-CG2 3.47Å
73	D	98.3	Very high	97.1	Very high	62 Å²	62	64 Å²	64	33%	0.332	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	100.3	173	174.8	24	0	0	0	110.3	S75 S76 S85	D73-S75 PolarHBondContact O-N 3.3Å; D73-S75 WeakPolarHBondContact OD1-CB 3.28Å; D73-S75 PolarHBondContact OD1-N 3.36Å; D73-S75 VanDerWaalsContact OD1-N 3.12Å; D73-S75 PolarHBondContact OD1-OG 3.4Å; D73-S75 PolarHBondContact OD2-OG 3.33Å; D73-S76 PolarHBondContact O-N 3.43Å; D73-S76 WeakPolarHBondContact OD2-CB 3.45Å; D73-S76 PolarHBondContact OD2-OG 3.14Å; D73-S85 WeakPolarHBondContact OD1-CB 3.34Å; D73-S85 PolarHBondContact OD1-OG 3.48Å
74	G	98	Very high	96.9	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-66.7	-21.6	179.1	0	0	0	0	0	113.8	Y72 S76 C77 Y78 Q79 A80 S85 T87	Y72-G74 PolarHBondContact O-N 2.87Å; G74-S76 VanDerWaalsContact C-N 3.27Å; G74-S76 PolarHBondContact O-N 3.02Å; G74-C77 CarbonylContact O-C 3.55Å; G74-C77 PolarHBondContact O-N 3.01Å; G74-C77 VanDerWaalsContact O-N 3.08Å; G74-Y78 PolarHBondContact O-N 3.09Å; G74-Q79 PolarHBondContact O-N 3.25Å; G74-A80 PolarHBondContact O-N 2.86Å; G74-S85 WeakPolarHBondContact CA-O 3.48Å; G74-S85 PolarHBondContact N-O 3.25Å; G74-T87 WeakPolarHBondContact CA-OG1 3.48Å
75	S	97.6	Very high	96.7	Very high	46 Å²	46	65.1 Å²	65.1	32%	0.322	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-69.9	-28.2	177.9	75.5	0	0	0	0	112.4	D73 C77 A80	D73-S75 PolarHBondContact O-N 3.3Å; D73-S75 WeakPolarHBondContact OD1-CB 3.28Å; D73-S75 PolarHBondContact OD1-N 3.36Å; D73-S75 VanDerWaalsContact OD1-N 3.12Å; D73-S75 PolarHBondContact OD1-OG 3.4Å; D73-S75 PolarHBondContact OD2-OG 3.33Å; S75-C77 PolarHBondContact O-N 3.46Å; S75-A80 VanDerWaalsContact CA-O 3.26Å; S75-A80 WeakPolarHBondContact CA-O 3.23Å
76	S	98.1	Very high	96.7	Very high	76 Å²	76	59.1 Å²	59.1	53%	0.531	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-82.1	2.4	172.8	-65	0	0	0	0	113.7	R51 D73 G74	R51-S76 PolarHBondContact NH1-O 3.04Å; D73-S76 PolarHBondContact O-N 3.43Å; D73-S76 WeakPolarHBondContact OD2-CB 3.45Å; D73-S76 PolarHBondContact OD2-OG 3.14Å; G74-S76 VanDerWaalsContact C-N 3.27Å; G74-S76 PolarHBondContact O-N 3.02Å
77	C	97.5	Very high	96.7	Very high	8 Å²	8	55.1 Å²	55.1	5%	0.054	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-133.9	18.2	-175.1	-56.2	0	0	0	0	112.7	D44 G45 Y72 G74 S75 Q79	D44-C77 HydrophobicContact CB-CB 4.18Å; G45-C77 WeakPolarHBondContact CA-O 3.41Å; G45-C77 PolarHBondContact N-O 2.91Å; Y72-C77 HydrophobicContact CD2-CB 4.37Å; Y72-C77 HydrophobicContact CE2-CB 3.85Å; G74-C77 CarbonylContact O-C 3.55Å; G74-C77 PolarHBondContact O-N 3.01Å; G74-C77 VanDerWaalsContact O-N 3.08Å; S75-C77 PolarHBondContact O-N 3.46Å; C77-Q79 WeakPolarHBondContact O-CG 3.37Å; C77-Q79 PolarHBondContact O-N 2.83Å
78	Y	97.5	Very high	96.7	Very high	169 Å²	169	58.7 Å²	58.7	66%	0.663	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	25.8	179.2	-41	-73.8	0	0	0	114.8	T46 G74	T46-Y78 HydrophobicContact CG2-CD2 3.92Å; T46-Y78 HydrophobicContact CG2-CE2 4.12Å; G74-Y78 PolarHBondContact O-N 3.09Å
79	Q	97.4	Very high	96.7	Very high	21 Å²	21	56.8 Å²	56.8	10%	0.098	32%	0.318	C	S	.	.	S	Bend	trans	-118.6	-11.8	-173.1	-76.7	168.8	-49.7	0	0	114.3	I43 G45 Y72 G74 C77 T119 T121	I43-Q79 PolarHBondContact O-NE2 2.92Å; G45-Q79 VanDerWaalsContact CA-CG 3.45Å; Y72-Q79 PolarHBondContact OH-OE1 2.94Å; G74-Q79 PolarHBondContact O-N 3.25Å; C77-Q79 WeakPolarHBondContact O-CG 3.37Å; C77-Q79 PolarHBondContact O-N 2.83Å; Q79-T119 HydrophobicContact CB-CG2 4.48Å; Q79-T121 PolarHBondContact NE2-OG1 2.7Å
80	A	96	Very high	96.7	Very high	33 Å²	33	58 Å²	58	27%	0.273	32%	0.316	S	S	.	.	S	Bend	trans	-151.5	162.5	179.6	0	0	0	0	0	111.9	G74 S75	G74-A80 PolarHBondContact O-N 2.86Å; S75-A80 VanDerWaalsContact CA-O 3.26Å; S75-A80 WeakPolarHBondContact CA-O 3.23Å
81	E	92.8	Very high	96.8	Very high	150 Å²	150	56.3 Å²	56.3	70%	0.701	31%	0.312	S	S	*	.			trans	-82.4	150.2	169.8	-64.5	-173.2	176	0	0	110.6	S83 N84 S85	E81-S83 PolarHBondContact O-N 3.44Å; E81-S83 VanDerWaalsContact O-N 3.16Å; E81-N84 CarbonylContact O-C 3.55Å; E81-N84 VanDerWaalsContact O-C 3.25Å; E81-N84 PolarHBondContact O-N 3.44Å; E81-N84 VanDerWaalsContact O-N 3.12Å; E81-S85 WeakPolarHBondContact O-CA 3.25Å; E81-S85 WeakPolarHBondContact O-CB 3.41Å; E81-S85 PolarHBondContact O-N 2.95Å
82	G	91	Very high	96.8	Very high	61 Å²	61	55 Å²	55	63%	0.629	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-22.8	-176.8	0	0	0	0	0	115	N84	G82-N84 VanDerWaalsContact C-N 3.29Å; G82-N84 PolarHBondContact O-N 3.19Å
83	S	91.9	Very high	96.8	Very high	109 Å²	109	55 Å²	55	76%	0.762	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-18.1	177.8	54.4	0	0	0	0	113.6	E81	E81-S83 PolarHBondContact O-N 3.44Å; E81-S83 VanDerWaalsContact O-N 3.16Å
84	N	93.1	Very high	96.8	Very high	70 Å²	70	54.3 Å²	54.3	37%	0.374	31%	0.305	S	S	.	.	S	Bend	trans	-155.5	71.9	179.2	-171.6	10.6	0	0	0	109.9	E81 G82 F114	E81-N84 CarbonylContact O-C 3.55Å; E81-N84 VanDerWaalsContact O-C 3.25Å; E81-N84 PolarHBondContact O-N 3.44Å; E81-N84 VanDerWaalsContact O-N 3.12Å; G82-N84 VanDerWaalsContact C-N 3.29Å; G82-N84 PolarHBondContact O-N 3.19Å; N84-F114 WeakPolarHBondContact ND2-CD1 3.21Å; N84-F114 VanDerWaalsContact ND2-CD2 3.31Å; N84-F114 WeakPolarHBondContact ND2-CD2 3.42Å; N84-F114 WeakPolarHBondContact ND2-CE1 3.37Å; N84-F114 VanDerWaalsContact ND2-CE2 3.26Å; N84-F114 WeakPolarHBondContact ND2-CE2 3.48Å; N84-F114 VanDerWaalsContact ND2-CG 3.27Å; N84-F114 WeakPolarHBondContact ND2-CG 3.39Å; N84-F114 WeakPolarHBondContact ND2-CZ 3.35Å
85	S	95.1	Very high	96.8	Very high	27 Å²	27	55.1 Å²	55.1	19%	0.189	31%	0.308	C	S	.	.			trans	-99	-9.6	-163.2	72.9	0	0	0	0	115.7	D73 G74 E81 T87	D73-S85 WeakPolarHBondContact OD1-CB 3.34Å; D73-S85 PolarHBondContact OD1-OG 3.48Å; G74-S85 WeakPolarHBondContact CA-O 3.48Å; G74-S85 PolarHBondContact N-O 3.25Å; E81-S85 WeakPolarHBondContact O-CA 3.25Å; E81-S85 WeakPolarHBondContact O-CB 3.41Å; E81-S85 PolarHBondContact O-N 2.95Å; S85-T87 PolarHBondContact O-N 3.18Å; S85-T87 VanDerWaalsContact O-N 3.11Å; S85-T87 PolarHBondContact O-OG1 3.22Å
86	D	96.8	Very high	96.9	Very high	76 Å²	76	58.8 Å²	58.8	41%	0.406	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	118.7	-179.7	-88.1	-30.5	0	0	0	110.7	N71 F114	N71-D86 PolarHBondContact ND2-OD1 3.16Å; D86-F114 PolarHBondContact O-N 3.41Å
87	T	98.4	Very high	96.9	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.006	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	136.3	177.2	-52.5	0	0	0	0	108.6	N71 Y72 G74 S85 Y112 T119	N71-T87 CarbonylContact C-O 3.1Å; N71-T87 WeakPolarHBondContact CA-O 3.39Å; Y72-T87 WeakPolarHBondContact CD1-O 3.46Å; Y72-T87 HydrophobicContact CE1-CG2 3.58Å; Y72-T87 HydrophobicContact CE2-CG2 4.3Å; Y72-T87 VanDerWaalsContact CZ-CG2 3.42Å; Y72-T87 PolarHBondContact N-O 2.84Å; Y72-T87 PolarHBondContact O-N 3.07Å; Y72-T87 WeakPolarHBondContact OH-CG2 3.38Å; G74-T87 WeakPolarHBondContact CA-OG1 3.48Å; S85-T87 PolarHBondContact O-N 3.18Å; S85-T87 VanDerWaalsContact O-N 3.11Å; S85-T87 PolarHBondContact O-OG1 3.22Å; T87-Y112 CarbonylContact C-O 3.35Å; T87-Y112 WeakPolarHBondContact CA-O 3.35Å; T87-Y112 WeakPolarHBondContact CG2-O 3.28Å; T87-T119 HydrophobicContact CG2-CG2 3.7Å
88	Y	98.7	Very high	97	Very high	84 Å²	84	55.9 Å²	55.9	33%	0.329	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	145.3	-170.1	-67.1	-80	0	0	0	112.5	V69 W70 N71 T111 Y112	V69-Y88 HydrophobicContact CG1-CD1 4.24Å; W70-Y88 CarbonylContact O-C 3.53Å; W70-Y88 WeakPolarHBondContact O-CA 3.26Å; N71-Y88 HydrophobicContact CB-CD1 4.07Å; N71-Y88 HydrophobicContact CB-CE1 4.26Å; Y88-T111 VanDerWaalsContact O-CA 3.29Å; Y88-T111 WeakPolarHBondContact O-CA 3.3Å; Y88-Y112 PolarHBondContact N-O 2.66Å; Y88-Y112 PolarHBondContact O-N 3.18Å
89	L	98.9	Very high	97	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	117.4	176.6	-63.1	169.5	0	0	0	109.4	Y40 W42 V69 W70 Y72 C109 D110 T111	Y40-L89 HydrophobicContact CD1-CB 4.22Å; Y40-L89 HydrophobicContact CD1-CD1 4.34Å; W42-L89 HydrophobicContact CB-CD2 3.61Å; W42-L89 HydrophobicContact CD2-CD1 4.36Å; W42-L89 HydrophobicContact CD2-CD2 3.65Å; W42-L89 HydrophobicContact CE3-CD1 3.89Å; W42-L89 HydrophobicContact CE3-CD2 3.89Å; W42-L89 HydrophobicContact CG-CD2 3.55Å; W42-L89 HydrophobicContact CZ3-CD1 4.08Å; V69-L89 WeakPolarHBondContact CA-O 3.37Å; V69-L89 WeakPolarHBondContact CG1-O 3.39Å; W70-L89 HydrophobicContact CB-CB 4.41Å; W70-L89 PolarHBondContact N-O 3.42Å; W70-L89 VanDerWaalsContact N-O 3.08Å; W70-L89 PolarHBondContact O-N 3.29Å; Y72-L89 HydrophobicContact CD1-CD1 3.94Å; Y72-L89 HydrophobicContact CD1-CD2 3.81Å; Y72-L89 HydrophobicContact CD1-CG 3.65Å; Y72-L89 HydrophobicContact CE1-CD2 3.59Å; Y72-L89 HydrophobicContact CE1-CG 3.87Å; L89-C109 HydrophobicContact CB-CB 4.08Å; L89-C109 HydrophobicContact CD2-CB 3.97Å; L89-D110 WeakPolarHBondContact CA-O 3.37Å; L89-T111 HydrophobicContact CD2-CG2 3.88Å
90	Y	98.9	Very high	96.9	Very high	96 Å²	96	51 Å²	51	38%	0.376	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	114.2	176.2	-75.5	-102.4	0	0	0	109.2	V69 V92 C109 D110 Y112	V69-Y90 HydrophobicContact CG1-CD2 4.37Å; V69-Y90 HydrophobicContact CG1-CE1 4.35Å; V69-Y90 HydrophobicContact CG1-CE2 4.15Å; V69-Y90 HydrophobicContact CG2-CD1 3.76Å; V69-Y90 HydrophobicContact CG2-CE1 3.75Å; V69-Y90 HydrophobicContact CG2-CG 4.35Å; Y90-V92 WeakPolarHBondContact O-CG1 3.39Å; Y90-V92 PolarHBondContact O-N 2.82Å; Y90-C109 CarbonylContact O-C 3.52Å; Y90-C109 VanDerWaalsContact O-CA 3.24Å; Y90-C109 WeakPolarHBondContact O-CA 3.49Å; Y90-D110 PolarHBondContact N-O 2.91Å; Y90-D110 PolarHBondContact O-N 3.47Å; Y90-Y112 AromaticContact CD2-CD2 3.28Å; Y90-Y112 HydrophobicContact CD2-CD2 3.28Å; Y90-Y112 AromaticContact CD2-CE2 3.81Å; Y90-Y112 HydrophobicContact CD2-CE2 3.81Å; Y90-Y112 HydrophobicContact CD2-CG 4.02Å; Y90-Y112 AromaticContact CE2-CD2 3.69Å; Y90-Y112 HydrophobicContact CE2-CD2 3.69Å; Y90-Y112 HydrophobicContact CE2-CE2 4.39Å; Y90-Y112 AromaticContact CE2-CG 3.95Å; Y90-Y112 HydrophobicContact CE2-CG 3.95Å; Y90-Y112 HydrophobicContact CG-CD2 4Å; Y90-Y112 HydrophobicContact CG-CE2 4.07Å
91	P	98.9	Very high	96.9	Very high	21 Å²	21	56.2 Å²	56.2	14%	0.136	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	131.1	178	-27.4	37.1	0	0	0	112.8	Y40 P64 L67 V107	Y40-P91 HydrophobicContact CE1-CG 3.71Å; P64-P91 HydrophobicContact CB-CB 4.26Å; L67-P91 HydrophobicContact CB-CB 3.8Å; L67-P91 HydrophobicContact CB-CG 3.57Å; L67-P91 HydrophobicContact CD1-CB 3.96Å; L67-P91 HydrophobicContact CD1-CG 4.38Å; P91-V107 HydrophobicContact CB-CG1 3.69Å; P91-V107 HydrophobicContact CG-CG1 4.19Å
92	V	98.7	Very high	97	Very high	31 Å²	31	51.7 Å²	51.7	19%	0.188	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	-27.1	-178.3	-63.8	0	0	0	0	114.4	Y90 M108 D110 R124	Y90-V92 WeakPolarHBondContact O-CG1 3.39Å; Y90-V92 PolarHBondContact O-N 2.82Å; V92-M108 HydrophobicContact CG2-CB 4.07Å; V92-M108 HydrophobicContact CG2-CG 3.91Å; V92-M108 VanDerWaalsContact CG2-O 3.23Å; V92-M108 WeakPolarHBondContact CG2-O 3.33Å; V92-M108 PolarHBondContact N-O 3.06Å; V92-D110 HydrophobicContact CG1-CB 4.09Å; V92-D110 WeakPolarHBondContact CG1-OD2 3.3Å; V92-R124 VanDerWaalsContact CB-CZ 3.46Å; V92-R124 VanDerWaalsContact CG1-NH1 3.31Å
93	A	98.6	Very high	97.3	Very high	13 Å²	13	52 Å²	52	11%	0.107	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	150.3	175.5	0	0	0	0	0	111	Y95 V107 M108 D226	A93-Y95 HydrophobicContact CB-CE2 3.61Å; A93-V107 WeakPolarHBondContact O-CA 3.29Å; A93-M108 HydrophobicContact CB-CB 4.17Å; A93-M108 PolarHBondContact N-O 3.28Å; A93-M108 PolarHBondContact O-N 2.83Å; A93-D226 HydrophobicContact CB-CB 4.41Å
94	I	98.8	Very high	97.6	Very high	49 Å²	49	47.4 Å²	47.4	25%	0.251	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	136.3	178	-67.9	174.9	0	0	0	108.7	P61 P64 L67 I105 L106	P61-I94 HydrophobicContact CB-CD1 4.21Å; P61-I94 HydrophobicContact CG-CD1 4.38Å; P64-I94 HydrophobicContact CG-CD1 4.37Å; P64-I94 HydrophobicContact CG-CG1 4.09Å; L67-I94 HydrophobicContact CD1-CD1 3.6Å; L67-I94 HydrophobicContact CD1-CG1 3.64Å; L67-I94 HydrophobicContact CG-CD1 4.15Å; I94-I105 HydrophobicContact CD1-CD1 4.49Å; I94-I105 HydrophobicContact CG2-CB 4.06Å; I94-I105 HydrophobicContact CG2-CD1 4.15Å; I94-I105 HydrophobicContact CG2-CG2 3.91Å; I94-L106 WeakPolarHBondContact CA-O 3.19Å
95	Y	98.8	Very high	97.9	Very high	16 Å²	16	44.7 Å²	44.7	6%	0.063	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	153.7	174.5	-58.1	-93.8	0	0	0	109.6	A93 I105 L106 M108 I198 D226 D227 M230	A93-Y95 HydrophobicContact CB-CE2 3.61Å; Y95-I105 CarbonylContact O-C 3.5Å; Y95-I105 VanDerWaalsContact O-CA 3.25Å; Y95-I105 WeakPolarHBondContact O-CA 3.47Å; Y95-I105 WeakPolarHBondContact O-CB 3.5Å; Y95-L106 PolarHBondContact N-O 3.5Å; Y95-L106 PolarHBondContact O-N 3.13Å; Y95-M108 HydrophobicContact CE2-CB 4.32Å; Y95-I198 HydrophobicContact CD1-CG1 3.78Å; Y95-I198 HydrophobicContact CE1-CG1 3.83Å; Y95-D226 VanDerWaalsContact OH-C 3.22Å; Y95-D226 WeakPolarHBondContact OH-CB 3.47Å; Y95-D226 PolarHBondContact OH-O 2.8Å; Y95-D227 WeakPolarHBondContact CE1-OD1 3.15Å; Y95-D227 PolarHBondContact OH-N 2.82Å; Y95-D227 PolarHBondContact OH-OD1 3.34Å; Y95-D227 VanDerWaalsContact OH-OD1 3.14Å; Y95-M230 HydrophobicContact CD2-CB 4.4Å; Y95-M230 HydrophobicContact CD2-CE 4.28Å; Y95-M230 HydrophobicContact CD2-CG 3.81Å; Y95-M230 HydrophobicContact CE2-CB 4.15Å; Y95-M230 HydrophobicContact CE2-CG 3.45Å; Y95-M230 VanDerWaalsContact CE2-CG 3.45Å
96	K	98.8	Very high	98	Very high	124 Å²	124	43.5 Å²	43.5	54%	0.539	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	139.6	171.3	-62.9	177.4	179.1	173.1	0	109.4	P98 Y195 A196	K96-P98 WeakPolarHBondContact O-CD 3.44Å; K96-Y195 HydrophobicContact CB-CD1 4.04Å; K96-Y195 HydrophobicContact CB-CE1 3.71Å; K96-Y195 WeakPolarHBondContact CD-O 3.35Å; K96-A196 PolarHBondContact N-O 3.04Å; K96-A196 VanDerWaalsContact N-O 3.16Å; K96-A196 WeakPolarHBondContact O-CA 3.37Å; K96-A196 WeakPolarHBondContact O-CB 3.35Å
97	D	98.8	Very high	98.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.195	C	C	.	.			trans	-81	109.8	176.7	-176.3	-21.9	0	0	0	110.4	F99 R100 R101 N104 L106 Y195	D97-F99 VanDerWaalsContact C-N 3.27Å; D97-F99 PolarHBondContact O-N 3.09Å; D97-F99 WeakPolarHBondContact OD1-CA 3.45Å; D97-F99 VanDerWaalsContact OD1-CB 3.31Å; D97-F99 WeakPolarHBondContact OD1-CB 3.4Å; D97-F99 WeakPolarHBondContact OD1-CD2 3.25Å; D97-F99 PolarHBondContact OD1-N 3.19Å; D97-R100 HydrophobicContact CB-CB 4.46Å; D97-R100 PolarHBondContact OD1-N 2.94Å; D97-R100 WeakPolarHBondContact OD2-CB 3.36Å; D97-R100 WeakPolarHBondContact OD2-CD 3.15Å; D97-R100 VanDerWaalsContact OD2-CG 3.32Å; D97-R100 WeakPolarHBondContact OD2-CG 3.45Å; D97-R100 IonicContact OD2-CZ 3.67Å; D97-R100 IonicContact OD2-NH1 2.83Å; D97-R100 PolarHBondContact OD2-NH1 2.84Å; D97-R101 VanDerWaalsContact O-CA 3.23Å; D97-R101 WeakPolarHBondContact O-CA 3.42Å; D97-R101 PolarHBondContact O-N 2.82Å; D97-N104 HydrophobicContact CB-CB 4Å; D97-N104 WeakPolarHBondContact CB-O 3.44Å; D97-N104 PolarHBondContact N-O 3.19Å; D97-L106 HydrophobicContact CB-CD2 4.03Å; D97-L106 HydrophobicContact CB-CG 4.12Å; D97-Y195 WeakPolarHBondContact O-CE1 3.27Å
98	P	98.6	Very high	98.2	Very high	23 Å²	23	39.9 Å²	39.9	15%	0.149	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-18.5	180	31.3	-34	0	0	0	113.2	K96 A192 Y195 L234	K96-P98 WeakPolarHBondContact O-CD 3.44Å; P98-A192 HydrophobicContact CB-CB 3.87Å; P98-A192 HydrophobicContact CG-CB 3.91Å; P98-Y195 HydrophobicContact CB-CD1 3.81Å; P98-Y195 HydrophobicContact CB-CG 4.45Å; P98-L234 HydrophobicContact CG-CD1 4.35Å; P98-L234 HydrophobicContact CG-CD2 3.64Å
99	F	97.8	Very high	98.2	Very high	31 Å²	31	36.1 Å²	36.1	14%	0.136	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-48.6	-179.2	-50.3	-76.8	0	0	0	110.7	D97 F233 L234 R237 I238	D97-F99 VanDerWaalsContact C-N 3.27Å; D97-F99 PolarHBondContact O-N 3.09Å; D97-F99 WeakPolarHBondContact OD1-CA 3.45Å; D97-F99 VanDerWaalsContact OD1-CB 3.31Å; D97-F99 WeakPolarHBondContact OD1-CB 3.4Å; D97-F99 WeakPolarHBondContact OD1-CD2 3.25Å; D97-F99 PolarHBondContact OD1-N 3.19Å; F99-F233 HydrophobicContact CE2-CE1 4.44Å; F99-L234 HydrophobicContact CE2-CD2 3.43Å; F99-L234 VanDerWaalsContact CE2-CD2 3.43Å; F99-L234 HydrophobicContact CZ-CD2 3.71Å; F99-R237 HydrophobicContact CE1-CB 3.96Å; F99-R237 HydrophobicContact CE2-CB 3.95Å; F99-R237 HydrophobicContact CE2-CG 4.4Å; F99-R237 HydrophobicContact CZ-CB 3.39Å; F99-R237 HydrophobicContact CZ-CG 4.3Å; F99-I238 HydrophobicContact CE1-CG1 3.76Å; F99-I238 HydrophobicContact CZ-CG1 4.06Å
100	R	96.2	Very high	98.2	Very high	55 Å²	55	36.7 Å²	36.7	21%	0.208	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-24.7	-178.3	-60.7	-174.3	-176.4	88.9	-8.9	113.4	T39 D54 D97 N104	T39-R100 PolarHBondContact OG1-NH1 3.35Å; D54-R100 IonicContact OD1-CZ 3.85Å; D54-R100 IonicContact OD1-NH1 3.21Å; D54-R100 IonicContact OD1-NH2 3.64Å; D54-R100 PolarHBondContact OD1-NH2 3.44Å; D54-R100 IonicContact OD2-CZ 2.73Å; D54-R100 IonicContact OD2-NH2 2.76Å; D54-R100 PolarHBondContact OD2-NH2 3.03Å; D97-R100 HydrophobicContact CB-CB 4.46Å; D97-R100 PolarHBondContact OD1-N 2.94Å; D97-R100 WeakPolarHBondContact OD2-CB 3.36Å; D97-R100 WeakPolarHBondContact OD2-CD 3.15Å; D97-R100 VanDerWaalsContact OD2-CG 3.32Å; D97-R100 WeakPolarHBondContact OD2-CG 3.45Å; D97-R100 IonicContact OD2-CZ 3.67Å; D97-R100 IonicContact OD2-NH1 2.83Å; D97-R100 PolarHBondContact OD2-NH1 2.84Å; R100-N104 HydrophobicContact CB-CB 3.78Å
101	R	95.7	Very high	98.2	Very high	144 Å²	144	32.3 Å²	32.3	54%	0.543	17%	0.167	S	C	.	.			trans	58.1	-172.8	178.7	-54.6	175.6	-69	177.4	-2.8	112.8	D97 N104 Y195	D97-R101 VanDerWaalsContact O-CA 3.23Å; D97-R101 WeakPolarHBondContact O-CA 3.42Å; D97-R101 PolarHBondContact O-N 2.82Å; R101-N104 WeakPolarHBondContact O-CB 3.32Å; R101-N104 PolarHBondContact O-N 3.04Å; R101-N104 PolarHBondContact O-ND2 3.35Å; R101-Y195 WeakPolarHBondContact CA-OH 3.15Å
102	G	95	Very high	98.2	Very high	54 Å²	54	33 Å²	33	56%	0.557	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.1	-137.3	-178.4	0	0	0	0	0	111.9	N104 Y195	G102-N104 VanDerWaalsContact C-N 3.26Å; G102-N104 PolarHBondContact O-N 3.49Å; G102-Y195 PolarHBondContact N-OH 3.08Å
103	N	96.8	Very high	98.1	Very high	67 Å²	67	34.2 Å²	34.2	36%	0.358	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	3	180	-63.2	-25.7	0	0	0	113.5	E33 V36 I60	E33-N103 PolarHBondContact O-ND2 3.42Å; V36-N103 VanDerWaalsContact CG1-O 3.28Å; V36-N103 WeakPolarHBondContact CG1-O 3.26Å; V36-N103 HydrophobicContact CG2-CB 3.86Å; V36-N103 WeakPolarHBondContact CG2-O 3.39Å; I60-N103 HydrophobicContact CD1-CB 4.25Å; I60-N103 VanDerWaalsContact CD1-ND2 3.26Å; I60-N103 WeakPolarHBondContact CD1-ND2 3.26Å; I60-N103 HydrophobicContact CG1-CB 4.21Å
104	N	98.3	Very high	97.9	Very high	13 Å²	13	38.9 Å²	38.9	7%	0.07	19%	0.188	C	C	.	.			trans	-71.8	148.1	178.9	-59	-57.1	0	0	0	111.6	Q37 D97 R100 R101 G102	Q37-N104 WeakPolarHBondContact CB-OD1 3.44Å; Q37-N104 PolarHBondContact N-OD1 2.91Å; Q37-N104 WeakPolarHBondContact O-CA 3.44Å; D97-N104 HydrophobicContact CB-CB 4Å; D97-N104 WeakPolarHBondContact CB-O 3.44Å; D97-N104 PolarHBondContact N-O 3.19Å; R100-N104 HydrophobicContact CB-CB 3.78Å; R101-N104 WeakPolarHBondContact O-CB 3.32Å; R101-N104 PolarHBondContact O-N 3.04Å; R101-N104 PolarHBondContact O-ND2 3.35Å; G102-N104 VanDerWaalsContact C-N 3.26Å; G102-N104 PolarHBondContact O-N 3.49Å
105	I	98.8	Very high	97.8	Very high	13 Å²	13	40.9 Å²	40.9	7%	0.067	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	152.8	-171.1	62.5	171.9	0	0	0	113	V36 Q37 A38 T39 P61 L67 I94 Y95 V107	V36-I105 HydrophobicContact CG1-CG1 4.13Å; Q37-I105 PolarHBondContact O-N 3.13Å; A38-I105 WeakPolarHBondContact CA-O 2.92Å; A38-I105 HydrophobicContact CB-CD1 3.99Å; A38-I105 HydrophobicContact CB-CG1 3.73Å; T39-I105 PolarHBondContact N-O 3.01Å; P61-I105 HydrophobicContact CG-CD1 3.42Å; P61-I105 VanDerWaalsContact CG-CD1 3.42Å; L67-I105 HydrophobicContact CD1-CD1 4.29Å; L67-I105 HydrophobicContact CD2-CD1 4.08Å; I94-I105 HydrophobicContact CD1-CD1 4.49Å; I94-I105 HydrophobicContact CG2-CB 4.06Å; I94-I105 HydrophobicContact CG2-CD1 4.15Å; I94-I105 HydrophobicContact CG2-CG2 3.91Å; Y95-I105 CarbonylContact O-C 3.5Å; Y95-I105 VanDerWaalsContact O-CA 3.25Å; Y95-I105 WeakPolarHBondContact O-CA 3.47Å; Y95-I105 WeakPolarHBondContact O-CB 3.5Å; I105-V107 HydrophobicContact CD1-CG2 3.76Å; I105-V107 HydrophobicContact CG1-CG2 4.06Å
106	L	98.9	Very high	97.7	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.01	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	144.1	161.9	-49.6	177	0	0	0	108.8	T39 I94 Y95 D97 M230 F233 L234	T39-L106 HydrophobicContact CG2-CD2 4.2Å; T39-L106 CarbonylContact O-C 3.59Å; T39-L106 WeakPolarHBondContact O-CA 3.48Å; I94-L106 WeakPolarHBondContact CA-O 3.19Å; Y95-L106 PolarHBondContact N-O 3.5Å; Y95-L106 PolarHBondContact O-N 3.13Å; D97-L106 HydrophobicContact CB-CD2 4.03Å; D97-L106 HydrophobicContact CB-CG 4.12Å; L106-M230 HydrophobicContact CB-CE 3.58Å; L106-M230 HydrophobicContact CD1-CE 3.7Å; L106-M230 HydrophobicContact CG-CE 4.27Å; L106-F233 HydrophobicContact CD1-CD1 4.08Å; L106-F233 HydrophobicContact CD1-CE1 3.98Å; L106-F233 HydrophobicContact CD2-CE1 4.07Å; L106-L234 HydrophobicContact CD1-CD2 3.7Å
107	V	98.9	Very high	97.6	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	107.7	-174.2	-175	0	0	0	0	109.1	A38 T39 Y40 V41 L67 P91 A93 I105	A38-V107 HydrophobicContact CB-CG2 4.26Å; T39-V107 PolarHBondContact O-N 3.48Å; Y40-V107 HydrophobicContact CD2-CB 4.1Å; Y40-V107 HydrophobicContact CD2-CG2 4.15Å; Y40-V107 HydrophobicContact CE2-CB 4.34Å; Y40-V107 HydrophobicContact CE2-CG1 4.49Å; Y40-V107 HydrophobicContact CE2-CG2 4.09Å; Y40-V107 HydrophobicContact CG-CB 4.32Å; V41-V107 PolarHBondContact N-O 3.19Å; L67-V107 HydrophobicContact CD1-CB 4.19Å; L67-V107 HydrophobicContact CD1-CG1 3.51Å; L67-V107 HydrophobicContact CD1-CG2 3.54Å; P91-V107 HydrophobicContact CB-CG1 3.69Å; P91-V107 HydrophobicContact CG-CG1 4.19Å; A93-V107 WeakPolarHBondContact O-CA 3.29Å; I105-V107 HydrophobicContact CD1-CG2 3.76Å; I105-V107 HydrophobicContact CG1-CG2 4.06Å
108	M	98.9	Very high	97.6	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	136.4	169.9	-173.2	60.6	-176.1	0	0	108.8	I43 V92 A93 Y95 W229 M230 Y359	I43-M108 HydrophobicContact CD1-CE 4.03Å; I43-M108 HydrophobicContact CG1-CE 4.16Å; V92-M108 HydrophobicContact CG2-CB 4.07Å; V92-M108 HydrophobicContact CG2-CG 3.91Å; V92-M108 VanDerWaalsContact CG2-O 3.23Å; V92-M108 WeakPolarHBondContact CG2-O 3.33Å; V92-M108 PolarHBondContact N-O 3.06Å; A93-M108 HydrophobicContact CB-CB 4.17Å; A93-M108 PolarHBondContact N-O 3.28Å; A93-M108 PolarHBondContact O-N 2.83Å; Y95-M108 HydrophobicContact CE2-CB 4.32Å; M108-W229 HydrophobicContact CE-CB 3.83Å; M108-W229 HydrophobicContact CE-CG 4.08Å; M108-W229 HydrophobicContact SD-CB 4.34Å; M108-M230 HydrophobicContact CB-CG 4.12Å; M108-M230 HydrophobicContact CB-SD 4.05Å; M108-M230 HydrophobicContact SD-CG 4.36Å; M108-M230 HydrophobicContact SD-SD 3.94Å; M108-Y359 HydrophobicContact CE-CE2 4.49Å
109	C	98.9	Very high	97.6	Very high	4 Å²	4	40.6 Å²	40.6	3%	0.027	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	141.3	-175	-67.1	0	0	0	0	112.8	Y40 V41 W42 L89 Y90	Y40-C109 WeakPolarHBondContact CD1-SG 3.46Å; V41-C109 WeakPolarHBondContact O-CB 3.39Å; V41-C109 PolarHBondContact O-N 3.3Å; W42-C109 HydrophobicContact CB-CB 4.43Å; L89-C109 HydrophobicContact CB-CB 4.08Å; L89-C109 HydrophobicContact CD2-CB 3.97Å; Y90-C109 CarbonylContact O-C 3.52Å; Y90-C109 VanDerWaalsContact O-CA 3.24Å; Y90-C109 WeakPolarHBondContact O-CA 3.49Å
110	D	98.8	Very high	97.6	Very high	13 Å²	13	44.8 Å²	44.8	7%	0.07	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	149.1	160.5	-85.2	-25.9	0	0	0	110.6	L89 Y90 V92 Y112 N122 R124	L89-D110 WeakPolarHBondContact CA-O 3.37Å; Y90-D110 PolarHBondContact N-O 2.91Å; Y90-D110 PolarHBondContact O-N 3.47Å; V92-D110 HydrophobicContact CG1-CB 4.09Å; V92-D110 WeakPolarHBondContact CG1-OD2 3.3Å; D110-Y112 HydrophobicContact CB-CD2 4.27Å; D110-Y112 HydrophobicContact CB-CE2 3.65Å; D110-N122 PolarHBondContact OD1-OD1 3.48Å; D110-R124 VanDerWaalsContact OD1-CB 3.25Å; D110-R124 WeakPolarHBondContact OD1-CB 3.35Å; D110-R124 WeakPolarHBondContact OD1-CD 3.4Å; D110-R124 IonicContact OD2-NH1 3.79Å; D110-R124 PolarHBondContact OD2-NH1 2.7Å
111	T	98.8	Very high	97.7	Very high	4 Å²	4	42.9 Å²	42.9	3%	0.025	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	135.2	-179.8	48.7	0	0	0	0	111.9	W42 Y72 Y88 L89 T119 N122	W42-T111 HydrophobicContact CB-CG2 3.74Å; W42-T111 HydrophobicContact CG-CG2 3.93Å; Y72-T111 HydrophobicContact CE1-CG2 4.13Å; Y72-T111 WeakPolarHBondContact OH-CG2 3.47Å; Y88-T111 VanDerWaalsContact O-CA 3.29Å; Y88-T111 WeakPolarHBondContact O-CA 3.3Å; L89-T111 HydrophobicContact CD2-CG2 3.88Å; T111-T119 WeakPolarHBondContact CB-OG1 3.44Å; T111-T119 PolarHBondContact O-N 2.88Å; T111-T119 VanDerWaalsContact O-N 3.12Å; T111-T119 PolarHBondContact O-OG1 3.37Å; T111-T119 PolarHBondContact OG1-OG1 3.25Å; T111-N122 PolarHBondContact O-ND2 3.22Å
112	Y	98.7	Very high	97.8	Very high	35 Å²	35	36.6 Å²	36.6	14%	0.137	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	140.9	-178.7	-71.7	-98.3	0	0	0	111.4	T87 Y88 Y90 D110 G116 T117 P118	T87-Y112 CarbonylContact C-O 3.35Å; T87-Y112 WeakPolarHBondContact CA-O 3.35Å; T87-Y112 WeakPolarHBondContact CG2-O 3.28Å; Y88-Y112 PolarHBondContact N-O 2.66Å; Y88-Y112 PolarHBondContact O-N 3.18Å; Y90-Y112 AromaticContact CD2-CD2 3.28Å; Y90-Y112 HydrophobicContact CD2-CD2 3.28Å; Y90-Y112 AromaticContact CD2-CE2 3.81Å; Y90-Y112 HydrophobicContact CD2-CE2 3.81Å; Y90-Y112 HydrophobicContact CD2-CG 4.02Å; Y90-Y112 AromaticContact CE2-CD2 3.69Å; Y90-Y112 HydrophobicContact CE2-CD2 3.69Å; Y90-Y112 HydrophobicContact CE2-CE2 4.39Å; Y90-Y112 AromaticContact CE2-CG 3.95Å; Y90-Y112 HydrophobicContact CE2-CG 3.95Å; Y90-Y112 HydrophobicContact CG-CD2 4Å; Y90-Y112 HydrophobicContact CG-CE2 4.07Å; D110-Y112 HydrophobicContact CB-CD2 4.27Å; D110-Y112 HydrophobicContact CB-CE2 3.65Å; Y112-G116 WeakPolarHBondContact CD1-O 3.47Å; Y112-T117 CarbonylContact C-O 3.43Å; Y112-T117 WeakPolarHBondContact CA-O 3.38Å; Y112-P118 HydrophobicContact CD1-CB 4.43Å; Y112-P118 HydrophobicContact CD1-CG 4.27Å; Y112-P118 HydrophobicContact CE1-CB 4.29Å; Y112-P118 HydrophobicContact CE1-CG 3.84Å
113	K	98	Very high	98	Very high	57 Å²	57	38 Å²	38	25%	0.248	21%	0.205	C	C	.	.			trans	-68.4	169.8	176.1	-57.8	-177.2	-170.3	178.1	0	111	D115 G116 T117 T119 D120	K113-D115 PolarHBondContact O-N 2.86Å; K113-D115 VanDerWaalsContact O-N 3.08Å; K113-G116 PolarHBondContact O-N 2.9Å; K113-T117 PolarHBondContact N-O 2.99Å; K113-T119 HydrophobicContact CG-CG2 4.15Å; K113-D120 WeakPolarHBondContact CE-OD1 3.45Å; K113-D120 IonicContact NZ-OD1 2.82Å; K113-D120 PolarHBondContact NZ-OD1 3.11Å
114	F	94.8	Very high	98.1	Very high	110 Å²	110	35.6 Å²	35.6	48%	0.482	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-27.2	-178.7	73.4	-87.1	0	0	0	114.2	N84 D86	N84-F114 WeakPolarHBondContact ND2-CD1 3.21Å; N84-F114 VanDerWaalsContact ND2-CD2 3.31Å; N84-F114 WeakPolarHBondContact ND2-CD2 3.42Å; N84-F114 WeakPolarHBondContact ND2-CE1 3.37Å; N84-F114 VanDerWaalsContact ND2-CE2 3.26Å; N84-F114 WeakPolarHBondContact ND2-CE2 3.48Å; N84-F114 VanDerWaalsContact ND2-CG 3.27Å; N84-F114 WeakPolarHBondContact ND2-CG 3.39Å; N84-F114 WeakPolarHBondContact ND2-CZ 3.35Å; D86-F114 PolarHBondContact O-N 3.41Å
115	D	95.5	Very high	98.1	Very high	91 Å²	91	38.1 Å²	38.1	49%	0.487	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	2.3	-178.9	66.2	0.6	0	0	0	113.8	K113 T117	K113-D115 PolarHBondContact O-N 2.86Å; K113-D115 VanDerWaalsContact O-N 3.08Å; D115-T117 VanDerWaalsContact C-N 3.34Å; D115-T117 WeakPolarHBondContact OD1-CB 3.34Å; D115-T117 WeakPolarHBondContact OD1-CG2 3.48Å; D115-T117 PolarHBondContact OD1-N 3.47Å; D115-T117 PolarHBondContact OD1-OG1 3.03Å
116	G	96.1	Very high	98.1	Very high	44 Å²	44	40.1 Å²	40.1	45%	0.454	22%	0.215	S	C	.	.	S	Bend	trans	82.9	4.8	-178.7	0	0	0	0	0	114.7	Y112 K113	Y112-G116 WeakPolarHBondContact CD1-O 3.47Å; K113-G116 PolarHBondContact O-N 2.9Å
117	T	97.6	Very high	98.1	Very high	58 Å²	58	40 Å²	40	36%	0.356	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-78.3	147.5	170.3	62.9	0	0	0	0	111.1	Y112 K113 D115	Y112-T117 CarbonylContact C-O 3.43Å; Y112-T117 WeakPolarHBondContact CA-O 3.38Å; K113-T117 PolarHBondContact N-O 2.99Å; D115-T117 VanDerWaalsContact C-N 3.34Å; D115-T117 WeakPolarHBondContact OD1-CB 3.34Å; D115-T117 WeakPolarHBondContact OD1-CG2 3.48Å; D115-T117 PolarHBondContact OD1-N 3.47Å; D115-T117 PolarHBondContact OD1-OG1 3.03Å
118	P	98.4	Very high	98.1	Very high	50 Å²	50	42.2 Å²	42.2	33%	0.325	23%	0.226	S	C	.	.	B	Isolated β-bridge	trans	-58.8	146.1	174.1	-21.6	32.5	0	0	0	111.4	Y112 N122 K125	Y112-P118 HydrophobicContact CD1-CB 4.43Å; Y112-P118 HydrophobicContact CD1-CG 4.27Å; Y112-P118 HydrophobicContact CE1-CB 4.29Å; Y112-P118 HydrophobicContact CE1-CG 3.84Å; P118-N122 HydrophobicContact CB-CB 4Å; P118-K125 HydrophobicContact CG-CB 4.43Å; P118-K125 HydrophobicContact CG-CG 4Å
119	T	98.6	Very high	98.1	Very high	5 Å²	5	46.2 Å²	46.2	3%	0.031	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-65.2	159.1	167.7	60.7	0	0	0	0	110.5	Q79 T87 T111 K113 T121 N122	Q79-T119 HydrophobicContact CB-CG2 4.48Å; T87-T119 HydrophobicContact CG2-CG2 3.7Å; T111-T119 WeakPolarHBondContact CB-OG1 3.44Å; T111-T119 PolarHBondContact O-N 2.88Å; T111-T119 VanDerWaalsContact O-N 3.12Å; T111-T119 PolarHBondContact O-OG1 3.37Å; T111-T119 PolarHBondContact OG1-OG1 3.25Å; K113-T119 HydrophobicContact CG-CG2 4.15Å; T119-T121 PolarHBondContact O-N 3.42Å; T119-T121 VanDerWaalsContact O-N 3.13Å; T119-N122 WeakPolarHBondContact O-CB 3.32Å; T119-N122 PolarHBondContact O-N 3Å; T119-N122 PolarHBondContact OG1-N 3.1Å
120	D	97.9	Very high	98.1	Very high	119 Å²	119	46.1 Å²	46.1	64%	0.636	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-26.9	-175.1	-58.6	-8.8	0	0	0	112.5	K113 K123	K113-D120 WeakPolarHBondContact CE-OD1 3.45Å; K113-D120 IonicContact NZ-OD1 2.82Å; K113-D120 PolarHBondContact NZ-OD1 3.11Å; D120-K123 WeakPolarHBondContact O-CE 3.4Å; D120-K123 PolarHBondContact O-NZ 3.34Å
121	T	98.5	Very high	98.1	Very high	16 Å²	16	45.9 Å²	45.9	10%	0.098	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-1.7	175.8	54.7	0	0	0	0	114.2	D44 G45 Q79 T119 K123	D44-T121 WeakPolarHBondContact O-CB 3.39Å; D44-T121 WeakPolarHBondContact O-CG2 3.35Å; D44-T121 PolarHBondContact O-OG1 3.47Å; G45-T121 WeakPolarHBondContact O-CG2 3.37Å; Q79-T121 PolarHBondContact NE2-OG1 2.7Å; T119-T121 PolarHBondContact O-N 3.42Å; T119-T121 VanDerWaalsContact O-N 3.13Å; T121-K123 VanDerWaalsContact C-N 3.25Å; T121-K123 PolarHBondContact O-N 2.94Å
122	N	98.8	Very high	98.1	Very high	12 Å²	12	50.7 Å²	50.7	6%	0.064	27%	0.269	C	S	.	.			trans	-77.2	77.7	171.5	-177.6	-11.1	0	0	0	110.3	D110 T111 P118 T119 R124 K125	D110-N122 PolarHBondContact OD1-OD1 3.48Å; T111-N122 PolarHBondContact O-ND2 3.22Å; P118-N122 HydrophobicContact CB-CB 4Å; T119-N122 WeakPolarHBondContact O-CB 3.32Å; T119-N122 PolarHBondContact O-N 3Å; T119-N122 PolarHBondContact OG1-N 3.1Å; N122-R124 VanDerWaalsContact C-N 3.33Å; N122-K125 PolarHBondContact OD1-N 2.81Å; N122-K125 VanDerWaalsContact OD1-N 3.13Å
123	K	98.8	Very high	98	Very high	82 Å²	82	55.8 Å²	55.8	36%	0.357	29%	0.292	S	S	.	.			trans	-79.3	-18.4	176.3	-53.6	-52.2	-171.6	-165.8	0	112.9	D120 T121 K125 T126 C127 D357	D120-K123 WeakPolarHBondContact O-CE 3.4Å; D120-K123 PolarHBondContact O-NZ 3.34Å; T121-K123 VanDerWaalsContact C-N 3.25Å; T121-K123 PolarHBondContact O-N 2.94Å; K123-K125 VanDerWaalsContact C-N 3.29Å; K123-K125 PolarHBondContact O-N 2.84Å; K123-T126 PolarHBondContact O-OG1 2.87Å; K123-C127 WeakPolarHBondContact O-CB 3.31Å; K123-C127 PolarHBondContact O-N 2.98Å; K123-C127 VanDerWaalsContact O-N 3.14Å; K123-D357 WeakPolarHBondContact CB-OD2 3.07Å; K123-D357 WeakPolarHBondContact CG-OD2 3.18Å
124	R	98.8	Very high	98.1	Very high	18 Å²	18	53.2 Å²	53.2	7%	0.068	28%	0.281	C	S	.	.	H	α-helix	trans	-60.3	-39.6	177.9	-172.7	177.5	-173.9	-79	-2.9	111.8	V92 D110 N122 T126 C127 L128 I222 D226 Y359	V92-R124 VanDerWaalsContact CB-CZ 3.46Å; V92-R124 VanDerWaalsContact CG1-NH1 3.31Å; D110-R124 VanDerWaalsContact OD1-CB 3.25Å; D110-R124 WeakPolarHBondContact OD1-CB 3.35Å; D110-R124 WeakPolarHBondContact OD1-CD 3.4Å; D110-R124 IonicContact OD2-NH1 3.79Å; D110-R124 PolarHBondContact OD2-NH1 2.7Å; N122-R124 VanDerWaalsContact C-N 3.33Å; R124-T126 PolarHBondContact O-N 3.05Å; R124-C127 PolarHBondContact O-N 3.15Å; R124-L128 VanDerWaalsContact O-CB 3.3Å; R124-L128 WeakPolarHBondContact O-CB 3.46Å; R124-L128 PolarHBondContact O-N 3.37Å; R124-I222 HydrophobicContact CG-CD1 3.97Å; R124-I222 HydrophobicContact CG-CG1 4.29Å; R124-D226 IonicContact CZ-OD1 2.66Å; R124-D226 IonicContact CZ-OD2 3.11Å; R124-D226 IonicContact NE-OD1 2.81Å; R124-D226 PolarHBondContact NE-OD1 3.37Å; R124-D226 IonicContact NE-OD2 3.98Å; R124-D226 IonicContact NH2-OD1 3.46Å; R124-D226 PolarHBondContact NH2-OD1 3.04Å; R124-D226 IonicContact NH2-OD2 2.91Å; R124-D226 PolarHBondContact NH2-OD2 3.27Å; R124-Y359 HydrophobicContact CB-CD1 4.11Å; R124-Y359 HydrophobicContact CB-CD2 3.79Å; R124-Y359 HydrophobicContact CB-CE1 4.03Å; R124-Y359 HydrophobicContact CB-CE2 3.69Å; R124-Y359 HydrophobicContact CB-CG 4Å; R124-Y359 WeakPolarHBondContact CD-OH 3.23Å; R124-Y359 HydrophobicContact CG-CD1 4.03Å; R124-Y359 HydrophobicContact CG-CD2 4.44Å; R124-Y359 HydrophobicContact CG-CE1 3.62Å; R124-Y359 HydrophobicContact CG-CE2 4.07Å; R124-Y359 HydrophobicContact CG-CG 4.43Å
125	K	98.5	Very high	98.2	Very high	66 Å²	66	50.3 Å²	50.3	29%	0.287	28%	0.277	S	S	.	.	H	α-helix	trans	-56.4	-51.8	-177.7	179.2	53.9	171.2	134.2	0	112.7	P118 N122 K123 E129	P118-K125 HydrophobicContact CG-CB 4.43Å; P118-K125 HydrophobicContact CG-CG 4Å; N122-K125 PolarHBondContact OD1-N 2.81Å; N122-K125 VanDerWaalsContact OD1-N 3.13Å; K123-K125 VanDerWaalsContact C-N 3.29Å; K123-K125 PolarHBondContact O-N 2.84Å; K125-E129 VanDerWaalsContact CE-OE1 3.32Å; K125-E129 WeakPolarHBondContact CE-OE1 3.43Å; K125-E129 IonicContact NZ-OE1 3.91Å; K125-E129 PolarHBondContact NZ-OE1 3.44Å; K125-E129 WeakPolarHBondContact O-CG 3.46Å; K125-E129 PolarHBondContact O-N 2.87Å
126	T	98.4	Very high	98.3	Very high	55 Å²	55	50.2 Å²	50.2	34%	0.337	29%	0.289	S	S	.	.	H	α-helix	trans	-72.8	-37.9	179.5	51.7	0	0	0	0	111.7	K123 R124 L128 E129 V130 E363	K123-T126 PolarHBondContact O-OG1 2.87Å; R124-T126 PolarHBondContact O-N 3.05Å; T126-L128 VanDerWaalsContact C-N 3.31Å; T126-L128 PolarHBondContact O-N 2.77Å; T126-E129 PolarHBondContact O-N 2.92Å; T126-V130 PolarHBondContact O-N 2.87Å; T126-E363 VanDerWaalsContact CB-OE2 3.27Å; T126-E363 WeakPolarHBondContact CB-OE2 3.18Å; T126-E363 PolarHBondContact OG1-OE2 3.3Å
127	C	98.8	Very high	98.4	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-59.2	-42.6	175.1	-178.4	0	0	0	0	111.7	K123 R124 E129 V130 A131 I222 Y359 E363	K123-C127 WeakPolarHBondContact O-CB 3.31Å; K123-C127 PolarHBondContact O-N 2.98Å; K123-C127 VanDerWaalsContact O-N 3.14Å; R124-C127 PolarHBondContact O-N 3.15Å; C127-E129 VanDerWaalsContact C-N 3.35Å; C127-E129 PolarHBondContact O-N 2.72Å; C127-V130 PolarHBondContact O-N 3Å; C127-A131 VanDerWaalsContact O-CB 3.27Å; C127-A131 WeakPolarHBondContact O-CB 3.23Å; C127-A131 PolarHBondContact O-N 2.81Å; C127-I222 HydrophobicContact CB-CD1 3.96Å; C127-Y359 HydrophobicContact CB-CD1 4.4Å; C127-Y359 PolarHBondContact SG-O 2.82Å; C127-Y359 VanDerWaalsContact SG-O 3.38Å; C127-E363 WeakPolarHBondContact CA-OE2 3.36Å; C127-E363 HydrophobicContact CB-CB 4.06Å; C127-E363 PolarHBondContact N-OE2 3.42Å
128	L	98.7	Very high	98.5	Very high	46 Å²	46	52.2 Å²	52.2	24%	0.241	28%	0.282	C	S	.	.	H	α-helix	trans	-62.9	-41.1	177.4	176.7	61.6	0	0	0	111.7	R124 T126 A131 N132 I222	R124-L128 VanDerWaalsContact O-CB 3.3Å; R124-L128 WeakPolarHBondContact O-CB 3.46Å; R124-L128 PolarHBondContact O-N 3.37Å; T126-L128 VanDerWaalsContact C-N 3.31Å; T126-L128 PolarHBondContact O-N 2.77Å; L128-A131 PolarHBondContact O-N 3.44Å; L128-N132 WeakPolarHBondContact O-CB 3.38Å; L128-N132 PolarHBondContact O-N 3.38Å; L128-N132 PolarHBondContact O-ND2 2.99Å; L128-I222 HydrophobicContact CB-CD1 4.02Å; L128-I222 HydrophobicContact CB-CG1 4.25Å; L128-I222 HydrophobicContact CD1-CB 4.09Å; L128-I222 HydrophobicContact CD1-CG1 4.12Å; L128-I222 HydrophobicContact CD1-CG2 4.02Å
129	E	98.6	Very high	98.5	Very high	86 Å²	86	49.9 Å²	49.9	40%	0.402	27%	0.268	S	S	.	.	H	α-helix	trans	-63.3	-42.7	176.8	-71	171.8	-174.9	0	0	112.1	K125 T126 C127 K133	K125-E129 VanDerWaalsContact CE-OE1 3.32Å; K125-E129 WeakPolarHBondContact CE-OE1 3.43Å; K125-E129 IonicContact NZ-OE1 3.91Å; K125-E129 PolarHBondContact NZ-OE1 3.44Å; K125-E129 WeakPolarHBondContact O-CG 3.46Å; K125-E129 PolarHBondContact O-N 2.87Å; T126-E129 PolarHBondContact O-N 2.92Å; C127-E129 VanDerWaalsContact C-N 3.35Å; C127-E129 PolarHBondContact O-N 2.72Å; E129-K133 WeakPolarHBondContact O-CG 3.25Å; E129-K133 PolarHBondContact O-N 2.88Å
130	V	98.8	Very high	98.5	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.006	28%	0.284	C	S	.	.	H	α-helix	trans	-67.1	-45.6	175.2	171.5	0	0	0	0	111.2	T126 C127 N132 K133 C134 E363 L366 R367 L371	T126-V130 PolarHBondContact O-N 2.87Å; C127-V130 PolarHBondContact O-N 3Å; V130-N132 VanDerWaalsContact C-N 3.28Å; V130-N132 PolarHBondContact O-N 2.9Å; V130-K133 WeakPolarHBondContact O-CB 3.47Å; V130-K133 PolarHBondContact O-N 3.31Å; V130-K133 VanDerWaalsContact O-N 3.09Å; V130-C134 PolarHBondContact O-N 3.17Å; V130-C134 PolarHBondContact O-SG 3.4Å; V130-E363 HydrophobicContact CB-CG 4.16Å; V130-E363 HydrophobicContact CG1-CG 4.39Å; V130-E363 HydrophobicContact CG2-CG 3.88Å; V130-L366 HydrophobicContact CG1-CB 3.65Å; V130-L366 HydrophobicContact CG1-CD1 4.26Å; V130-R367 HydrophobicContact CG1-CG 4.02Å; V130-R367 HydrophobicContact CG2-CG 4.18Å; V130-R367 VanDerWaalsContact CG2-NH2 3.28Å; V130-L371 HydrophobicContact CG1-CD1 4.06Å
131	A	98.4	Very high	98.6	Very high	8 Å²	8	48.7 Å²	48.7	7%	0.066	25%	0.254	C	S	.	.	H	α-helix	trans	-57.7	-42.2	177.5	0	0	0	0	0	111.6	C127 L128 K133 C134 A135 L366	C127-A131 VanDerWaalsContact O-CB 3.27Å; C127-A131 WeakPolarHBondContact O-CB 3.23Å; C127-A131 PolarHBondContact O-N 2.81Å; L128-A131 PolarHBondContact O-N 3.44Å; A131-K133 PolarHBondContact O-N 2.86Å; A131-C134 CarbonylContact O-C 3.46Å; A131-C134 PolarHBondContact O-N 3.37Å; A131-C134 VanDerWaalsContact O-N 3.12Å; A131-A135 PolarHBondContact O-N 3.13Å; A131-L366 HydrophobicContact CB-CD1 4.09Å
132	N	98.5	Very high	98.6	Very high	105 Å²	105	48.6 Å²	48.6	56%	0.561	26%	0.256	S	S	*	.	H	α-helix	trans	-64.1	-38.4	175.8	-72.3	-24.9	0	0	0	112.6	L128 V130 C134 A135	L128-N132 WeakPolarHBondContact O-CB 3.38Å; L128-N132 PolarHBondContact O-N 3.38Å; L128-N132 PolarHBondContact O-ND2 2.99Å; V130-N132 VanDerWaalsContact C-N 3.28Å; V130-N132 PolarHBondContact O-N 2.9Å; N132-C134 PolarHBondContact O-N 3.48Å; N132-A135 WeakPolarHBondContact O-CB 3.5Å; N132-A135 PolarHBondContact O-N 3.48Å
133	K	98.6	Very high	98.6	Very high	142 Å²	142	48.1 Å²	48.1	62%	0.617	25%	0.253	S	S	*	.	H	α-helix	trans	-65.5	-29.4	173.9	-70.7	172.5	-177.6	177.4	0	112.4	E129 V130 A131 L371	E129-K133 WeakPolarHBondContact O-CG 3.25Å; E129-K133 PolarHBondContact O-N 2.88Å; V130-K133 WeakPolarHBondContact O-CB 3.47Å; V130-K133 PolarHBondContact O-N 3.31Å; V130-K133 VanDerWaalsContact O-N 3.09Å; A131-K133 PolarHBondContact O-N 2.86Å; K133-L371 HydrophobicContact CB-CD2 4.37Å
134	C	98.3	Very high	98.6	Very high	3 Å²	3	45.8 Å²	45.8	2%	0.02	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	6.5	-179.5	-53.9	0	0	0	0	113.3	V130 A131 N132 A136 E137 L366 C370	V130-C134 PolarHBondContact O-N 3.17Å; V130-C134 PolarHBondContact O-SG 3.4Å; A131-C134 CarbonylContact O-C 3.46Å; A131-C134 PolarHBondContact O-N 3.37Å; A131-C134 VanDerWaalsContact O-N 3.12Å; N132-C134 PolarHBondContact O-N 3.48Å; C134-A136 PolarHBondContact O-N 3.36Å; C134-A136 VanDerWaalsContact O-N 3.16Å; C134-E137 WeakPolarHBondContact O-CB 3.24Å; C134-E137 PolarHBondContact O-N 2.86Å; C134-L366 HydrophobicContact CB-CD2 4.2Å; C134-C370 HydrophobicContact CB-CB 4.02Å; C134-C370 VanDerWaalsContact SG-CB 3.55Å
135	A	97.9	Very high	98.6	Very high	49 Å²	49	44.9 Å²	44.9	41%	0.405	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-59.4	-32.5	-171.1	0	0	0	0	0	113.4	A131 N132 E137 E138	A131-A135 PolarHBondContact O-N 3.13Å; N132-A135 WeakPolarHBondContact O-CB 3.5Å; N132-A135 PolarHBondContact O-N 3.48Å; A135-E137 PolarHBondContact O-N 3.43Å; A135-E138 PolarHBondContact O-N 3.42Å; A135-E138 VanDerWaalsContact O-N 3.08Å
136	A	98.1	Very high	98.6	Very high	89 Å²	89	42.4 Å²	42.4	74%	0.736	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-64.3	-21.8	177.6	0	0	0	0	0	113.8	C134 E138	C134-A136 PolarHBondContact O-N 3.36Å; C134-A136 VanDerWaalsContact O-N 3.16Å; A136-E138 VanDerWaalsContact C-N 3.26Å; A136-E138 PolarHBondContact O-N 3.22Å
137	E	98.4	Very high	98.6	Very high	79 Å²	79	39.8 Å²	39.8	37%	0.369	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-79.6	-8.9	176.8	-60.1	-61.6	146.2	0	0	112.5	C134 A135 T268 K269 C370	C134-E137 WeakPolarHBondContact O-CB 3.24Å; C134-E137 PolarHBondContact O-N 2.86Å; A135-E137 PolarHBondContact O-N 3.43Å; E137-T268 HydrophobicContact CB-CG2 4.08Å; E137-T268 CarbonylContact O-C 3.53Å; E137-T268 WeakPolarHBondContact O-CA 3.39Å; E137-T268 WeakPolarHBondContact O-CB 3.46Å; E137-K269 PolarHBondContact O-N 3.03Å; E137-C370 HydrophobicContact CG-CB 4.26Å
138	E	98.4	Very high	98.6	Very high	65 Å²	65	39.8 Å²	39.8	30%	0.304	21%	0.214	S	C	.	.			trans	44.2	57.2	-174.2	-55.4	175.7	-138.7	0	0	112.2	A135 A136 W140 K269 R272	A135-E138 PolarHBondContact O-N 3.42Å; A135-E138 VanDerWaalsContact O-N 3.08Å; A136-E138 VanDerWaalsContact C-N 3.26Å; A136-E138 PolarHBondContact O-N 3.22Å; E138-W140 PolarHBondContact O-N 3.42Å; E138-K269 HydrophobicContact CB-CB 4.25Å; E138-K269 WeakPolarHBondContact OE1-CD 3.33Å; E138-K269 WeakPolarHBondContact OE1-CE 3.38Å; E138-K269 IonicContact OE1-NZ 2.76Å; E138-K269 PolarHBondContact OE1-NZ 2.86Å; E138-R272 PolarHBondContact O-NH1 2.82Å; E138-R272 VanDerWaalsContact O-NH1 3.1Å; E138-R272 PolarHBondContact O-NH2 2.93Å
139	P	98.6	Very high	98.6	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.013	20%	0.202	C	C	.	.			trans	-73	126.1	-171.6	30.9	-35.3	0	0	0	111.3	F141 E220 G221 S267 L366	P139-F141 HydrophobicContact CB-CE2 3.93Å; P139-F141 HydrophobicContact CB-CZ 4.41Å; P139-F141 HydrophobicContact CG-CE2 4.44Å; P139-E220 WeakPolarHBondContact O-CA 3.38Å; P139-G221 PolarHBondContact O-N 3.04Å; P139-S267 CarbonylContact C-O 3.57Å; P139-S267 WeakPolarHBondContact CA-O 3.41Å; P139-L366 HydrophobicContact CB-CD2 3.64Å; P139-L366 HydrophobicContact CG-CD2 3.81Å
140	W	98.9	Very high	98.5	Very high	98 Å²	98	34.6 Å²	34.6	37%	0.371	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	139.8	175.6	-68.1	0.2	0	0	0	111.2	E138 P218 C219 V266 S267	E138-W140 PolarHBondContact O-N 3.42Å; W140-P218 HydrophobicContact CB-CB 4.48Å; W140-P218 HydrophobicContact CD2-CB 4.49Å; W140-P218 HydrophobicContact CE3-CB 4.13Å; W140-C219 CarbonylContact C-O 3.55Å; W140-C219 WeakPolarHBondContact CA-O 3.34Å; W140-V266 WeakPolarHBondContact O-CA 3.46Å; W140-S267 PolarHBondContact N-O 3.21Å; W140-S267 PolarHBondContact O-N 3.42Å
141	F	98.9	Very high	98.2	Very high	1 Å²	1	34.8 Å²	34.8	0%	0.004	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	141.9	177.7	-63.1	-88	0	0	0	110.6	P139 P218 C219 I224 T264 N265 V266 V362 I365 L366	P139-F141 HydrophobicContact CB-CE2 3.93Å; P139-F141 HydrophobicContact CB-CZ 4.41Å; P139-F141 HydrophobicContact CG-CE2 4.44Å; F141-P218 CarbonylContact O-C 3.55Å; F141-P218 WeakPolarHBondContact O-CA 3.37Å; F141-C219 PolarHBondContact N-O 2.94Å; F141-C219 PolarHBondContact O-N 3.28Å; F141-I224 HydrophobicContact CB-CB 3.92Å; F141-I224 HydrophobicContact CB-CG1 3.8Å; F141-I224 HydrophobicContact CB-CG2 3.84Å; F141-I224 HydrophobicContact CD2-CG2 4.25Å; F141-I224 HydrophobicContact CG-CG2 4.14Å; F141-T264 HydrophobicContact CD1-CG2 4.04Å; F141-N265 CarbonylContact C-O 3.55Å; F141-N265 VanDerWaalsContact CA-O 3.25Å; F141-N265 WeakPolarHBondContact CA-O 3.41Å; F141-V266 HydrophobicContact CD1-CG1 4.35Å; F141-V266 HydrophobicContact CD1-CG2 3.96Å; F141-V266 HydrophobicContact CE1-CG1 3.9Å; F141-V266 HydrophobicContact CE1-CG2 3.97Å; F141-V266 HydrophobicContact CZ-CG1 4.42Å; F141-V362 HydrophobicContact CD1-CG2 4.1Å; F141-V362 HydrophobicContact CD2-CG1 4.35Å; F141-V362 HydrophobicContact CD2-CG2 4.4Å; F141-V362 HydrophobicContact CE1-CG1 4.36Å; F141-V362 HydrophobicContact CE1-CG2 4.23Å; F141-V362 HydrophobicContact CE2-CG1 3.82Å; F141-V362 HydrophobicContact CG-CG2 4.19Å; F141-V362 HydrophobicContact CZ-CB 4.48Å; F141-V362 HydrophobicContact CZ-CG1 3.83Å; F141-V362 HydrophobicContact CZ-CG2 4.46Å; F141-I365 HydrophobicContact CE1-CB 4.34Å; F141-I365 HydrophobicContact CE1-CD1 4.45Å; F141-I365 HydrophobicContact CE1-CG2 4.03Å; F141-L366 HydrophobicContact CE2-CD1 4.46Å; F141-L366 HydrophobicContact CE2-CD2 4.12Å; F141-L366 HydrophobicContact CE2-CG 4.35Å; F141-L366 HydrophobicContact CZ-CD1 4.39Å; F141-L366 HydrophobicContact CZ-CD2 3.72Å; F141-L366 HydrophobicContact CZ-CG 3.84Å
142	G	98.9	Very high	97.8	Very high	14 Å²	14	39.2 Å²	39.2	14%	0.144	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	132.5	162.8	0	0	0	0	0	109.7	V216 T264 N265	G142-V216 CarbonylContact C-O 3.42Å; G142-V216 WeakPolarHBondContact CA-O 3.18Å; G142-T264 CarbonylContact O-C 3.41Å; G142-N265 PolarHBondContact N-O 2.97Å; G142-N265 WeakPolarHBondContact O-CB 3.46Å; G142-N265 PolarHBondContact O-N 2.79Å; G142-N265 PolarHBondContact O-ND2 3.24Å
143	I	98.9	Very high	97.4	Very high	1 Å²	1	38 Å²	38	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	127.8	-175.7	-57.7	178.8	0	0	0	110.1	Q215 V216 I224 L228 A262 H263 T264 P358	I143-Q215 WeakPolarHBondContact O-CA 3.43Å; I143-V216 PolarHBondContact N-O 3.37Å; I143-V216 PolarHBondContact O-N 2.99Å; I143-I224 HydrophobicContact CD1-CD1 4.37Å; I143-I224 HydrophobicContact CD1-CG1 3.64Å; I143-I224 HydrophobicContact CG1-CD1 4.14Å; I143-I224 HydrophobicContact CG1-CG1 3.82Å; I143-L228 HydrophobicContact CB-CD2 4.19Å; I143-L228 HydrophobicContact CD1-CD2 3.92Å; I143-L228 HydrophobicContact CG2-CD2 3.77Å; I143-A262 HydrophobicContact CG2-CB 4.1Å; I143-H263 CarbonylContact C-O 3.48Å; I143-H263 WeakPolarHBondContact CA-O 3.4Å; I143-T264 HydrophobicContact CG1-CG2 4.12Å; I143-P358 HydrophobicContact CD1-CB 3.98Å
144	E	98.9	Very high	97	Very high	33 Å²	33	33.4 Å²	33.4	15%	0.154	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	93.7	176.2	-68.9	168.2	-155.8	0	0	108.8	E146 E213 Q215 A262 H263 N265	E144-E146 PolarHBondContact O-N 3.38Å; E144-E213 HydrophobicContact CB-CG 4.38Å; E144-E213 WeakPolarHBondContact CB-OE1 3.25Å; E144-E213 WeakPolarHBondContact CG-OE1 3.45Å; E144-Q215 HydrophobicContact CB-CG 4.43Å; E144-Q215 HydrophobicContact CG-CG 3.81Å; E144-A262 CarbonylContact O-C 3.49Å; E144-A262 WeakPolarHBondContact O-CA 3.42Å; E144-H263 HydrophobicContact CB-CB 4.05Å; E144-H263 HydrophobicContact CG-CB 4.43Å; E144-H263 PolarHBondContact N-O 2.75Å; E144-H263 PolarHBondContact O-N 3.06Å; E144-H263 WeakPolarHBondContact OE2-CB 3.33Å; E144-H263 IonicContact OE2-CG 3.21Å; E144-H263 IonicContact OE2-ND1 2.88Å; E144-H263 PolarHBondContact OE2-ND1 3.46Å; E144-N265 PolarHBondContact OE1-ND2 3.31Å
145	Q	98.9	Very high	96.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	105.9	-178.7	178.3	67.3	72.7	0	0	110.7	E213 F214 L228 S354	Q145-E213 VanDerWaalsContact O-CA 3.28Å; Q145-E213 WeakPolarHBondContact O-CA 3.37Å; Q145-F214 HydrophobicContact CB-CD1 4.21Å; Q145-F214 HydrophobicContact CB-CD2 4.14Å; Q145-F214 HydrophobicContact CB-CE1 3.81Å; Q145-F214 HydrophobicContact CB-CE2 3.75Å; Q145-F214 HydrophobicContact CB-CG 4.36Å; Q145-F214 HydrophobicContact CB-CZ 3.58Å; Q145-F214 HydrophobicContact CG-CD1 4.26Å; Q145-F214 HydrophobicContact CG-CE1 3.5Å; Q145-F214 VanDerWaalsContact CG-CE1 3.5Å; Q145-F214 HydrophobicContact CG-CE2 4.16Å; Q145-F214 HydrophobicContact CG-CZ 3.45Å; Q145-F214 VanDerWaalsContact CG-CZ 3.45Å; Q145-F214 PolarHBondContact N-O 2.97Å; Q145-F214 PolarHBondContact O-N 3.16Å; Q145-L228 HydrophobicContact CB-CD1 3.97Å; Q145-L228 HydrophobicContact CG-CD1 4.38Å; Q145-S354 PolarHBondContact NE2-O 3.34Å; Q145-S354 PolarHBondContact OE1-O 3.13Å
146	E	98.9	Very high	96.7	Very high	14 Å²	14	32.8 Å²	32.8	7%	0.065	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	147.8	168.1	-60.8	176.1	-173.6	0	0	110.8	E144 E206 W212 E213 A260 G261 H263 S354	E144-E146 PolarHBondContact O-N 3.38Å; E146-E206 HydrophobicContact CG-CG 4.1Å; E146-W212 CarbonylContact C-O 3.52Å; E146-W212 WeakPolarHBondContact CA-O 3.39Å; E146-E213 HydrophobicContact CG-CB 4.22Å; E146-E213 HydrophobicContact CG-CG 3.94Å; E146-E213 WeakPolarHBondContact CG-OE2 3.18Å; E146-A260 HydrophobicContact CB-CB 4.03Å; E146-A260 WeakPolarHBondContact OE2-CA 3.29Å; E146-G261 WeakPolarHBondContact CB-O 3.44Å; E146-G261 PolarHBondContact N-O 3.17Å; E146-G261 PolarHBondContact OE2-N 2.59Å; E146-H263 IonicContact OE1-CE1 3.16Å; E146-S354 WeakPolarHBondContact O-CB 3.47Å
147	Y	98.9	Very high	96.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	162.8	178.8	62.4	-80.5	0	0	0	110.6	F149 Q211 W212 F214 L235 T247	Y147-F149 HydrophobicContact CD2-CD1 4.43Å; Y147-F149 HydrophobicContact CD2-CE1 4.23Å; Y147-F149 HydrophobicContact CD2-CZ 4.47Å; Y147-F149 HydrophobicContact CE2-CD1 4.17Å; Y147-F149 HydrophobicContact CE2-CD2 4.43Å; Y147-F149 AromaticContact CE2-CE1 3.62Å; Y147-F149 HydrophobicContact CE2-CE1 3.62Å; Y147-F149 AromaticContact CE2-CE2 3.9Å; Y147-F149 HydrophobicContact CE2-CE2 3.9Å; Y147-F149 AromaticContact CE2-CZ 3.48Å; Y147-F149 HydrophobicContact CE2-CZ 3.48Å; Y147-F149 VanDerWaalsContact CE2-CZ 3.48Å; Y147-Q211 WeakPolarHBondContact O-CA 3.47Å; Y147-Q211 VanDerWaalsContact O-CG 3.22Å; Y147-Q211 WeakPolarHBondContact O-CG 3.32Å; Y147-W212 HydrophobicContact CD1-CB 4.49Å; Y147-W212 WeakPolarHBondContact CD1-O 3.36Å; Y147-W212 HydrophobicContact CE1-CB 3.76Å; Y147-W212 HydrophobicContact CE2-CB 3.85Å; Y147-W212 VanDerWaalsContact CZ-CB 3.43Å; Y147-W212 PolarHBondContact N-O 2.82Å; Y147-W212 PolarHBondContact O-N 3.34Å; Y147-W212 WeakPolarHBondContact OH-CB 3.09Å; Y147-F214 HydrophobicContact CD1-CD1 4.02Å; Y147-F214 HydrophobicContact CD1-CE1 4.15Å; Y147-F214 AromaticContact CE1-CD1 3.58Å; Y147-F214 HydrophobicContact CE1-CD1 3.58Å; Y147-F214 HydrophobicContact CE1-CE1 4.11Å; Y147-L235 HydrophobicContact CD1-CD2 4.08Å; Y147-L235 HydrophobicContact CD2-CD1 4.15Å; Y147-L235 HydrophobicContact CD2-CD2 3.71Å; Y147-L235 HydrophobicContact CE1-CD2 4.38Å; Y147-L235 HydrophobicContact CE2-CD1 3.64Å; Y147-L235 HydrophobicContact CE2-CD2 4Å; Y147-L235 HydrophobicContact CE2-CG 4.46Å; Y147-L235 HydrophobicContact CG-CD2 3.74Å; Y147-T247 WeakPolarHBondContact CB-O 3.44Å
148	T	98.8	Very high	96.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	136	178.3	-55.7	0	0	0	0	111.1	L150 M208 T247 P252	T148-L150 HydrophobicContact CG2-CD2 4.1Å; T148-M208 HydrophobicContact CG2-CE 3.88Å; T148-T247 PolarHBondContact N-O 2.7Å; T148-T247 VanDerWaalsContact N-O 3.08Å; T148-T247 WeakPolarHBondContact O-CG2 3.4Å; T148-T247 PolarHBondContact O-N 2.95Å; T148-P252 HydrophobicContact CG2-CG 4.43Å
149	F	98.4	Very high	96	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	130.7	170.7	-67.4	-52.2	0	0	0	111	Y147 L157 A182 I185 V186 A210 W212 L235 I244 V245 S246	Y147-F149 HydrophobicContact CD2-CD1 4.43Å; Y147-F149 HydrophobicContact CD2-CE1 4.23Å; Y147-F149 HydrophobicContact CD2-CZ 4.47Å; Y147-F149 HydrophobicContact CE2-CD1 4.17Å; Y147-F149 HydrophobicContact CE2-CD2 4.43Å; Y147-F149 AromaticContact CE2-CE1 3.62Å; Y147-F149 HydrophobicContact CE2-CE1 3.62Å; Y147-F149 AromaticContact CE2-CE2 3.9Å; Y147-F149 HydrophobicContact CE2-CE2 3.9Å; Y147-F149 AromaticContact CE2-CZ 3.48Å; Y147-F149 HydrophobicContact CE2-CZ 3.48Å; Y147-F149 VanDerWaalsContact CE2-CZ 3.48Å; F149-L157 HydrophobicContact CB-CB 3.96Å; F149-L157 HydrophobicContact CB-CD2 3.99Å; F149-L157 WeakPolarHBondContact O-CB 3.18Å; F149-L157 PolarHBondContact O-N 3.14Å; F149-A182 HydrophobicContact CD2-CB 3.87Å; F149-A182 HydrophobicContact CE2-CB 4.04Å; F149-I185 HydrophobicContact CE1-CB 4.39Å; F149-I185 HydrophobicContact CE1-CG2 3.71Å; F149-I185 HydrophobicContact CE2-CB 4.24Å; F149-I185 HydrophobicContact CE2-CG2 4.39Å; F149-I185 HydrophobicContact CZ-CB 3.72Å; F149-I185 HydrophobicContact CZ-CD1 4.49Å; F149-I185 HydrophobicContact CZ-CG2 3.42Å; F149-I185 VanDerWaalsContact CZ-CG2 3.42Å; F149-V186 HydrophobicContact CE2-CG2 3.96Å; F149-V186 HydrophobicContact CZ-CG2 4.34Å; F149-A210 PolarHBondContact N-O 2.91Å; F149-W212 AromaticContact CD2-CD1 3.45Å; F149-W212 VanDerWaalsContact CD2-CD1 3.45Å; F149-W212 AromaticContact CD2-NE1 3.72Å; F149-W212 AromaticContact CE2-CD1 3.45Å; F149-W212 VanDerWaalsContact CE2-CD1 3.45Å; F149-W212 HydrophobicContact CE2-CG 4.17Å; F149-W212 AromaticContact CE2-NE1 3.75Å; F149-L235 HydrophobicContact CE1-CD1 4.02Å; F149-L235 HydrophobicContact CZ-CD1 4.34Å; F149-I244 HydrophobicContact CB-CD1 3.89Å; F149-I244 HydrophobicContact CD1-CD1 3.18Å; F149-I244 HydrophobicContact CD1-CG1 4.47Å; F149-I244 HydrophobicContact CD2-CD1 4.42Å; F149-I244 HydrophobicContact CE1-CD1 3.65Å; F149-I244 HydrophobicContact CG-CD1 3.6Å; F149-I244 HydrophobicContact CZ-CD1 4.43Å; F149-V245 CarbonylContact C-O 3.54Å; F149-V245 WeakPolarHBondContact CA-O 3.27Å; F149-S246 VanDerWaalsContact CD1-OG 3.27Å; F149-S246 WeakPolarHBondContact CD1-OG 3.16Å; F149-S246 WeakPolarHBondContact CE1-OG 3.4Å
150	L	96.5	Very high	95.6	Very high	22 Å²	22	27.3 Å²	27.3	12%	0.115	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	148.7	174.4	-46.8	178.1	0	0	0	109.4	T148 H155 P156 I244 V245 T247	T148-L150 HydrophobicContact CG2-CD2 4.1Å; L150-H155 CarbonylContact C-O 3.46Å; L150-H155 WeakPolarHBondContact CA-O 3.39Å; L150-P156 HydrophobicContact CD2-CB 4.36Å; L150-P156 HydrophobicContact CD2-CG 4.2Å; L150-I244 WeakPolarHBondContact O-CB 3.3Å; L150-V245 HydrophobicContact CB-CB 4.25Å; L150-V245 PolarHBondContact N-O 2.92Å; L150-V245 PolarHBondContact O-N 3.18Å; L150-T247 HydrophobicContact CD1-CG2 3.75Å; L150-T247 HydrophobicContact CD2-CG2 4.14Å; L150-T247 HydrophobicContact CG-CG2 3.89Å
151	D	92.6	Very high	94.9	Very high	5 Å²	5	25.8 Å²	25.8	3%	0.027	15%	0.151	C	C	.	.			trans	-69.7	168.5	160.6	-160.1	-7.5	0	0	0	109.4	L10 D153 G154 H155 L157 K161	L10-D151 PolarHBondContact N-OD1 3.24Å; L10-D151 PolarHBondContact N-OD2 2.98Å; D151-D153 PolarHBondContact O-N 2.83Å; D151-D153 VanDerWaalsContact O-N 3.16Å; D151-G154 PolarHBondContact O-N 3.4Å; D151-H155 PolarHBondContact N-O 2.89Å; D151-L157 HydrophobicContact CB-CD1 4.26Å; D151-K161 IonicContact OD2-NZ 3.91Å; D151-K161 PolarHBondContact OD2-NZ 2.93Å
152	F	89.9	Confident	94.2	Very high	102 Å²	102	33.9 Å²	33.9	45%	0.447	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-18.2	-173.6	-151.3	-101.7	0	0	0	113.3	D12 G154 V245	D12-F152 HydrophobicContact CB-CB 4.42Å; D12-F152 WeakPolarHBondContact O-CD1 3.36Å; F152-G154 PolarHBondContact O-N 3.38Å; F152-V245 HydrophobicContact CD2-CG2 4.21Å
153	D	89.5	Confident	93.8	Very high	79 Å²	79	34.3 Å²	34.3	42%	0.422	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	1.6	171.8	67.6	-2.6	0	0	0	113.6	D151 H155 K161	D151-D153 PolarHBondContact O-N 2.83Å; D151-D153 VanDerWaalsContact O-N 3.16Å; D153-H155 VanDerWaalsContact C-N 3.3Å; D153-H155 PolarHBondContact O-N 3.39Å; D153-H155 VanDerWaalsContact OD1-CB 3.3Å; D153-H155 WeakPolarHBondContact OD1-CB 3.27Å; D153-H155 PolarHBondContact OD1-N 3.05Å; D153-K161 VanDerWaalsContact CG-NZ 3.3Å; D153-K161 IonicContact OD1-NZ 3.37Å; D153-K161 PolarHBondContact OD1-NZ 3.04Å; D153-K161 IonicContact OD2-NZ 2.68Å; D153-K161 PolarHBondContact OD2-NZ 3.49Å
154	G	90.8	Very high	93.6	Very high	45 Å²	45	40.4 Å²	40.4	46%	0.464	23%	0.225	S	C	.	.	S	Bend	trans	82	0.8	179.9	0	0	0	0	0	114.4	D151 F152	D151-G154 PolarHBondContact O-N 3.4Å; F152-G154 PolarHBondContact O-N 3.38Å
155	H	92.9	Very high	93.4	Very high	39 Å²	39	39.8 Å²	39.8	18%	0.181	22%	0.224	C	C	.	.	S	Bend	trans	-81.7	143	175.3	-162.7	70.7	0	0	0	110.9	L150 D151 D153 L157 W159 P160	L150-H155 CarbonylContact C-O 3.46Å; L150-H155 WeakPolarHBondContact CA-O 3.39Å; D151-H155 PolarHBondContact N-O 2.89Å; D153-H155 VanDerWaalsContact C-N 3.3Å; D153-H155 PolarHBondContact O-N 3.39Å; D153-H155 VanDerWaalsContact OD1-CB 3.3Å; D153-H155 WeakPolarHBondContact OD1-CB 3.27Å; D153-H155 PolarHBondContact OD1-N 3.05Å; H155-L157 PolarHBondContact O-N 2.95Å; H155-W159 VanDerWaalsContact NE2-CB 3.3Å; H155-W159 WeakPolarHBondContact NE2-CB 3.32Å; H155-P160 PolarHBondContact NE2-O 3.45Å
156	P	95.4	Very high	93.2	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.006	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-55.3	136.2	179.1	-26	34.5	0	0	0	112.9	L150 G158 W159 M208 M253	L150-P156 HydrophobicContact CD2-CB 4.36Å; L150-P156 HydrophobicContact CD2-CG 4.2Å; P156-G158 PolarHBondContact O-N 2.87Å; P156-W159 HydrophobicContact CB-CB 4.46Å; P156-W159 HydrophobicContact CB-CD2 3.69Å; P156-W159 HydrophobicContact CB-CE3 4.32Å; P156-W159 HydrophobicContact CB-CG 3.73Å; P156-W159 HydrophobicContact CB-CZ2 4.32Å; P156-W159 HydrophobicContact CG-CD2 4Å; P156-W159 HydrophobicContact CG-CE3 4.13Å; P156-W159 HydrophobicContact CG-CG 4.45Å; P156-W159 HydrophobicContact CG-CZ2 4.41Å; P156-W159 HydrophobicContact CG-CZ3 4.36Å; P156-W159 WeakPolarHBondContact O-CB 3.5Å; P156-W159 PolarHBondContact O-N 3.08Å; P156-W159 VanDerWaalsContact O-N 3.15Å; P156-M208 HydrophobicContact CB-CE 4.03Å; P156-M208 HydrophobicContact CG-CE 3.82Å; P156-M253 HydrophobicContact CG-CG 3.58Å; P156-M253 HydrophobicContact CG-SD 3.51Å; P156-M253 VanDerWaalsContact CG-SD 3.51Å
157	L	94.7	Very high	93.1	Very high	13 Å²	13	46.3 Å²	46.3	7%	0.068	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	130	-169.2	-174.9	69	0	0	0	111.5	I9 L10 F149 D151 H155 W159 Y181 A182 A210 I244	I9-L157 HydrophobicContact CG2-CD1 3.66Å; L10-L157 HydrophobicContact CD2-CD1 4.46Å; F149-L157 HydrophobicContact CB-CB 3.96Å; F149-L157 HydrophobicContact CB-CD2 3.99Å; F149-L157 WeakPolarHBondContact O-CB 3.18Å; F149-L157 PolarHBondContact O-N 3.14Å; D151-L157 HydrophobicContact CB-CD1 4.26Å; H155-L157 PolarHBondContact O-N 2.95Å; L157-W159 PolarHBondContact O-N 2.68Å; L157-Y181 WeakPolarHBondContact O-CD2 3.44Å; L157-A182 HydrophobicContact CD2-CB 3.62Å; L157-A210 HydrophobicContact CB-CB 4.29Å; L157-A210 WeakPolarHBondContact O-CB 3.36Å; L157-I244 HydrophobicContact CD1-CG2 3.86Å; L157-I244 HydrophobicContact CD2-CD1 4.05Å; L157-I244 HydrophobicContact CD2-CG2 4Å
158	G	91.9	Very high	93.1	Very high	31 Å²	31	48.4 Å²	48.4	32%	0.32	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	1.3	179.6	0	0	0	0	0	114.9	P156	P156-G158 PolarHBondContact O-N 2.87Å
159	W	94	Very high	93	Very high	11 Å²	11	51.1 Å²	51.1	4%	0.042	31%	0.313	C	S	.	.	S	Bend	trans	-74.2	155.1	171.5	-74.2	38.9	0	0	0	111.6	H155 P156 L157 K161 F164 P165 M208 P209 M253 W257	H155-W159 VanDerWaalsContact NE2-CB 3.3Å; H155-W159 WeakPolarHBondContact NE2-CB 3.32Å; P156-W159 HydrophobicContact CB-CB 4.46Å; P156-W159 HydrophobicContact CB-CD2 3.69Å; P156-W159 HydrophobicContact CB-CE3 4.32Å; P156-W159 HydrophobicContact CB-CG 3.73Å; P156-W159 HydrophobicContact CB-CZ2 4.32Å; P156-W159 HydrophobicContact CG-CD2 4Å; P156-W159 HydrophobicContact CG-CE3 4.13Å; P156-W159 HydrophobicContact CG-CG 4.45Å; P156-W159 HydrophobicContact CG-CZ2 4.41Å; P156-W159 HydrophobicContact CG-CZ3 4.36Å; P156-W159 WeakPolarHBondContact O-CB 3.5Å; P156-W159 PolarHBondContact O-N 3.08Å; P156-W159 VanDerWaalsContact O-N 3.15Å; L157-W159 PolarHBondContact O-N 2.68Å; W159-K161 PolarHBondContact O-N 2.73Å; W159-F164 HydrophobicContact CE3-CD1 4.16Å; W159-F164 HydrophobicContact CH2-CD1 4.41Å; W159-F164 AromaticContact CZ3-CD1 3.53Å; W159-F164 HydrophobicContact CZ3-CD1 3.53Å; W159-F164 HydrophobicContact CZ3-CE1 4.05Å; W159-P165 HydrophobicContact CD2-CG 3.79Å; W159-P165 VanDerWaalsContact CE3-CD 3.41Å; W159-P165 HydrophobicContact CE3-CG 4.27Å; W159-P165 HydrophobicContact CG-CG 4.14Å; W159-P165 HydrophobicContact CH2-CG 4.46Å; W159-P165 HydrophobicContact CZ2-CG 4Å; W159-M208 HydrophobicContact CH2-CE 3.85Å; W159-M208 HydrophobicContact CZ2-CE 3.43Å; W159-M208 VanDerWaalsContact CZ2-CE 3.43Å; W159-M208 HydrophobicContact CZ2-CG 3.89Å; W159-M208 HydrophobicContact CZ2-SD 4.34Å; W159-P209 HydrophobicContact CZ2-CG 3.79Å; W159-P209 PolarHBondContact NE1-O 3.48Å; W159-M253 HydrophobicContact CH2-CG 4.08Å; W159-M253 HydrophobicContact CZ3-CE 4.13Å; W159-M253 HydrophobicContact CZ3-CG 4.27Å; W159-W257 AromaticContact CH2-CD2 3.52Å; W159-W257 HydrophobicContact CH2-CD2 3.52Å; W159-W257 AromaticContact CH2-CE2 3.51Å; W159-W257 AromaticContact CH2-CE3 3.85Å; W159-W257 HydrophobicContact CH2-CE3 3.85Å; W159-W257 AromaticContact CH2-CG 3.97Å; W159-W257 HydrophobicContact CH2-CG 3.97Å; W159-W257 HydrophobicContact CH2-CH2 4.2Å; W159-W257 AromaticContact CH2-CZ2 3.89Å; W159-W257 HydrophobicContact CH2-CZ2 3.89Å; W159-W257 HydrophobicContact CH2-CZ3 4.17Å; W159-W257 AromaticContact CH2-NE1 3.86Å; W159-W257 HydrophobicContact CZ2-CD2 4.17Å; W159-W257 HydrophobicContact CZ2-CE3 4.03Å; W159-W257 HydrophobicContact CZ2-CH2 4.48Å; W159-W257 HydrophobicContact CZ2-CZ3 4.18Å; W159-W257 HydrophobicContact CZ3-CD2 4.47Å; W159-W257 HydrophobicContact CZ3-CZ2 4.27Å
160	P	91.1	Very high	93	Very high	64 Å²	64	54.1 Å²	54.1	42%	0.416	33%	0.332	S	S	.	.			trans	-62.8	121.3	171.9	-18.2	31.9	0	0	0	110.4	H155 N162 G163	H155-P160 PolarHBondContact NE2-O 3.45Å; P160-N162 PolarHBondContact O-N 2.93Å; P160-G163 CarbonylContact O-C 3.58Å; P160-G163 PolarHBondContact O-N 3.38Å; P160-G163 VanDerWaalsContact O-O 3.06Å
161	K	82.9	Confident	93	Very high	66 Å²	66	53.6 Å²	53.6	29%	0.287	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.7	-33	-173.6	-71.7	-69.4	-177.5	-178.2	0	115.9	A7 D151 D153 W159	A7-K161 HydrophobicContact CB-CG 4.28Å; D151-K161 IonicContact OD2-NZ 3.91Å; D151-K161 PolarHBondContact OD2-NZ 2.93Å; D153-K161 VanDerWaalsContact CG-NZ 3.3Å; D153-K161 IonicContact OD1-NZ 3.37Å; D153-K161 PolarHBondContact OD1-NZ 3.04Å; D153-K161 IonicContact OD2-NZ 2.68Å; D153-K161 PolarHBondContact OD2-NZ 3.49Å; W159-K161 PolarHBondContact O-N 2.73Å
162	N	85.9	Confident	93.3	Very high	172 Å²	172	58.3 Å²	58.3	92%	0.92	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.5	32.6	178.4	-64.7	-42.4	0	0	0	112	P160	P160-N162 PolarHBondContact O-N 2.93Å
163	G	89.3	Confident	93.7	Very high	22 Å²	22	57.1 Å²	57.1	23%	0.227	35%	0.35	C	S	.	.	S	Bend	trans	-165.8	-162.3	-175.3	0	0	0	0	0	113.8	P160	P160-G163 CarbonylContact O-C 3.58Å; P160-G163 PolarHBondContact O-N 3.38Å; P160-G163 VanDerWaalsContact O-O 3.06Å
164	F	94.3	Very high	94.2	Very high	130 Å²	130	53.8 Å²	53.8	57%	0.57	34%	0.335	S	S	*	.			trans	-126.8	148.9	-177.3	-62.9	-85.7	0	0	0	108.9	W159 M253 W257	W159-F164 HydrophobicContact CE3-CD1 4.16Å; W159-F164 HydrophobicContact CH2-CD1 4.41Å; W159-F164 AromaticContact CZ3-CD1 3.53Å; W159-F164 HydrophobicContact CZ3-CD1 3.53Å; W159-F164 HydrophobicContact CZ3-CE1 4.05Å; F164-M253 HydrophobicContact CE1-CE 4.38Å; F164-W257 HydrophobicContact CB-CZ2 4.03Å; F164-W257 AromaticContact CD1-CE2 3.96Å; F164-W257 AromaticContact CD1-CZ2 3.87Å; F164-W257 HydrophobicContact CD1-CZ2 3.87Å; F164-W257 AromaticContact CD1-NE1 3.55Å; F164-W257 AromaticContact CE1-NE1 3.77Å; F164-W257 HydrophobicContact CG-CZ2 4.33Å
165	P	94.9	Very high	94.5	Very high	20 Å²	20	57.2 Å²	57.2	13%	0.13	35%	0.346	C	S	.	.			trans	-67.4	-179.9	166.5	31.3	-33.6	0	0	0	110.1	W159 P209 W257	W159-P165 HydrophobicContact CD2-CG 3.79Å; W159-P165 VanDerWaalsContact CE3-CD 3.41Å; W159-P165 HydrophobicContact CE3-CG 4.27Å; W159-P165 HydrophobicContact CG-CG 4.14Å; W159-P165 HydrophobicContact CH2-CG 4.46Å; W159-P165 HydrophobicContact CZ2-CG 4Å; P165-P209 HydrophobicContact CB-CG 4.26Å; P165-P209 HydrophobicContact CG-CB 4.39Å; P165-P209 HydrophobicContact CG-CG 3.46Å; P165-P209 VanDerWaalsContact CG-CG 3.46Å; P165-W257 HydrophobicContact CG-CH2 3.82Å; P165-W257 HydrophobicContact CG-CZ3 4.29Å
166	G	95.9	Very high	94.8	Very high	40 Å²	40	57 Å²	57	41%	0.412	36%	0.355	S	S	.	.	S	Bend	trans	-59.8	162.4	172.1	0	0	0	0	0	112.2	Y171	G166-Y171 VanDerWaalsContact C-OH 3.29Å; G166-Y171 PolarHBondContact N-OH 2.81Å; G166-Y171 WeakPolarHBondContact O-CE2 3.34Å; G166-Y171 PolarHBondContact O-OH 2.95Å
167	P	97.1	Very high	94.8	Very high	110 Å²	110	61.4 Å²	61.4	71%	0.714	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-55	154.6	179.3	-24.9	34.2	0	0	0	113.7	P170 Y171	P167-P170 WeakPolarHBondContact O-CD 3.44Å; P167-Y171 VanDerWaalsContact O-CE2 3.31Å; P167-Y171 WeakPolarHBondContact O-CE2 3.34Å
168	Q	97.8	Very high	94.7	Very high	45 Å²	45	66.4 Å²	66.4	21%	0.21	42%	0.418	C	S	.	.	S	Bend	trans	-58.4	151.8	175.9	-56.6	-169.2	134	0	0	112.1	V207 W257 N258	Q168-V207 HydrophobicContact CB-CG1 3.93Å; Q168-V207 HydrophobicContact CG-CG1 4.32Å; Q168-W257 HydrophobicContact CG-CE3 3.45Å; Q168-W257 VanDerWaalsContact CG-CE3 3.45Å; Q168-W257 HydrophobicContact CG-CZ3 3.52Å; Q168-N258 PolarHBondContact NE2-OD1 3.03Å
169	G	96.7	Very high	94.9	Very high	57 Å²	57	68.5 Å²	68.5	59%	0.588	42%	0.418	S	S	*	.	S	Bend	trans	139.6	-57.1	-176.2	0	0	0	0	0	113.6	Y171	G169-Y171 VanDerWaalsContact C-N 3.29Å; G169-Y171 PolarHBondContact O-N 3.28Å
170	P	97.9	Very high	95.1	Very high	63 Å²	63	68.9 Å²	68.9	41%	0.409	42%	0.422	S	S	.	.	S	Bend	trans	-79.5	-7.2	-176.7	31.7	-35.5	0	0	0	114.6	P167 K179	P167-P170 WeakPolarHBondContact O-CD 3.44Å; P170-K179 HydrophobicContact CB-CG 4.42Å; P170-K179 WeakPolarHBondContact O-CD 3.31Å
171	Y	98.4	Very high	95.3	Very high	11 Å²	11	68.2 Å²	68.2	4%	0.043	41%	0.411	C	S	.	.			trans	-88.2	-42.1	-169.9	-48.6	-64.5	0	0	0	113.6	G166 P167 G169 C173 G174 K179 V207 P209	G166-Y171 VanDerWaalsContact C-OH 3.29Å; G166-Y171 PolarHBondContact N-OH 2.81Å; G166-Y171 WeakPolarHBondContact O-CE2 3.34Å; G166-Y171 PolarHBondContact O-OH 2.95Å; P167-Y171 VanDerWaalsContact O-CE2 3.31Å; P167-Y171 WeakPolarHBondContact O-CE2 3.34Å; G169-Y171 VanDerWaalsContact C-N 3.29Å; G169-Y171 PolarHBondContact O-N 3.28Å; Y171-C173 PolarHBondContact O-N 3.04Å; Y171-G174 WeakPolarHBondContact O-CA 3.4Å; Y171-G174 PolarHBondContact O-N 3.34Å; Y171-K179 WeakPolarHBondContact CD1-O 3.28Å; Y171-V207 WeakPolarHBondContact CD2-O 3.33Å; Y171-P209 HydrophobicContact CD1-CB 3.81Å; Y171-P209 HydrophobicContact CD1-CG 4.36Å; Y171-P209 HydrophobicContact CD2-CB 4.2Å; Y171-P209 HydrophobicContact CD2-CG 3.97Å; Y171-P209 HydrophobicContact CE1-CB 3.91Å; Y171-P209 HydrophobicContact CE1-CG 4.2Å; Y171-P209 HydrophobicContact CE2-CB 4.27Å; Y171-P209 HydrophobicContact CE2-CG 3.77Å; Y171-P209 HydrophobicContact CG-CB 3.97Å; Y171-P209 HydrophobicContact CG-CG 4.26Å
172	Y	98.6	Very high	95.9	Very high	103 Å²	103	66.3 Å²	66.3	40%	0.404	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	123.6	-179.7	179.1	-104.7	0	0	0	110.9	G174 A205 E206 V207	Y172-G174 PolarHBondContact O-N 3.37Å; Y172-A205 WeakPolarHBondContact CD2-O 3.47Å; Y172-E206 PolarHBondContact N-O 2.89Å; Y172-V207 HydrophobicContact CD2-CG2 4.07Å; Y172-V207 HydrophobicContact CG-CG2 4.37Å
173	C	98.4	Very high	96.5	Very high	78 Å²	78	62.2 Å²	62.2	53%	0.527	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	28.6	-174.2	-68.8	0	0	0	0	114.1	Y171 A205	Y171-C173 PolarHBondContact O-N 3.04Å; C173-A205 PolarHBondContact N-O 2.86Å
174	G	98.3	Very high	96.9	Very high	9 Å²	9	67 Å²	67	9%	0.093	40%	0.4	C	S	.	.			trans	-70.1	163	-175.8	0	0	0	0	0	113.7	Y171 Y172 V180 R183	Y171-G174 WeakPolarHBondContact O-CA 3.4Å; Y171-G174 PolarHBondContact O-N 3.34Å; Y172-G174 PolarHBondContact O-N 3.37Å; G174-V180 WeakPolarHBondContact O-CG2 3.33Å; G174-R183 PolarHBondContact O-NH2 2.89Å
175	V	98.5	Very high	97.1	Very high	117 Å²	117	61 Å²	61	71%	0.709	37%	0.374	S	S	*	.			trans	-139.9	134.3	171.1	63	0	0	0	0	110.1	K179	V175-K179 WeakPolarHBondContact O-CD 3.29Å
176	G	97.8	Very high	97.2	Very high	34 Å²	34	60.1 Å²	60.1	35%	0.351	37%	0.368	S	S	.	.	S	Bend	trans	117.6	149.5	-178.2	0	0	0	0	0	113	N178 K179 V180	G176-N178 PolarHBondContact O-N 2.73Å; G176-N178 VanDerWaalsContact O-N 3.11Å; G176-K179 PolarHBondContact O-N 2.69Å; G176-V180 PolarHBondContact O-N 3.35Å
177	A	95.9	Very high	97.4	Very high	94 Å²	94	61.9 Å²	61.9	78%	0.777	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-20.7	-174.2	0	0	0	0	0	114.2
178	N	93.3	Very high	97.5	Very high	118 Å²	118	58.3 Å²	58.3	63%	0.631	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	2.7	177.1	68.5	-48.3	0	0	0	114.1	G176	G176-N178 PolarHBondContact O-N 2.73Å; G176-N178 VanDerWaalsContact O-N 3.11Å
179	K	96.9	Very high	97.5	Very high	74 Å²	74	56.1 Å²	56.1	32%	0.322	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129	-33.3	-177.9	-63.5	174.2	-175.7	173.4	0	112.5	P170 Y171 V175 G176	P170-K179 HydrophobicContact CB-CG 4.42Å; P170-K179 WeakPolarHBondContact O-CD 3.31Å; Y171-K179 WeakPolarHBondContact CD1-O 3.28Å; V175-K179 WeakPolarHBondContact O-CD 3.29Å; G176-K179 PolarHBondContact O-N 2.69Å
180	V	97.1	Very high	97.6	Very high	20 Å²	20	56.2 Å²	56.2	12%	0.121	32%	0.32	C	S	.	.			trans	-117	123.6	-169.6	-179.6	0	0	0	0	109.7	G174 G176 R183 W212	G174-V180 WeakPolarHBondContact O-CG2 3.33Å; G176-V180 PolarHBondContact O-N 3.35Å; V180-R183 HydrophobicContact CG1-CB 3.88Å; V180-W212 HydrophobicContact CG1-CH2 3.5Å; V180-W212 HydrophobicContact CG1-CZ2 3.52Å
181	Y	94.9	Very high	97.7	Very high	49 Å²	49	62.4 Å²	62.4	19%	0.192	34%	0.336	C	S	.	.			trans	-117	129.4	177.5	-50.6	-34.8	0	0	0	109.8	L157 P209 A210 W212	L157-Y181 WeakPolarHBondContact O-CD2 3.44Å; Y181-P209 HydrophobicContact CD2-CB 4.15Å; Y181-P209 HydrophobicContact CE2-CB 3.76Å; Y181-A210 HydrophobicContact CD2-CB 4.31Å; Y181-W212 VanDerWaalsContact O-CZ2 3.28Å; Y181-W212 WeakPolarHBondContact O-CZ2 3.29Å; Y181-W212 PolarHBondContact O-NE1 2.9Å
182	A	95.3	Very high	97.7	Very high	26 Å²	26	62.4 Å²	62.4	22%	0.215	34%	0.338	C	S	.	.			trans	65.2	34	174.7	0	0	0	0	0	117.5	F149 L157 D184 I185	F149-A182 HydrophobicContact CD2-CB 3.87Å; F149-A182 HydrophobicContact CE2-CB 4.04Å; L157-A182 HydrophobicContact CD2-CB 3.62Å; A182-D184 PolarHBondContact O-N 3.2Å; A182-I185 HydrophobicContact CB-CD1 3.93Å; A182-I185 HydrophobicContact CB-CG1 4.21Å; A182-I185 PolarHBondContact O-N 3.45Å; A182-I185 VanDerWaalsContact O-N 3.13Å
183	R	98.4	Very high	97.7	Very high	87 Å²	87	57.5 Å²	57.5	33%	0.328	32%	0.319	S	S	.	.	H	α-helix	trans	-55.3	-34.7	173.5	-174.1	177.2	-62.3	-73.9	-0.5	113.1	G174 V180 I185 V186 D187 W212	G174-R183 PolarHBondContact O-NH2 2.89Å; V180-R183 HydrophobicContact CG1-CB 3.88Å; R183-I185 PolarHBondContact O-N 3.41Å; R183-I185 VanDerWaalsContact O-N 3.15Å; R183-V186 WeakPolarHBondContact O-CB 3.45Å; R183-V186 PolarHBondContact O-N 2.96Å; R183-D187 PolarHBondContact O-N 2.82Å; R183-W212 HydrophobicContact CB-CH2 3.86Å; R183-W212 HydrophobicContact CB-CZ2 4.19Å; R183-W212 HydrophobicContact CG-CH2 4.05Å
184	D	98	Very high	97.7	Very high	121 Å²	121	58.6 Å²	58.6	65%	0.647	32%	0.319	S	S	*	.	H	α-helix	trans	-55.5	-34.7	179.5	-59	-23.9	0	0	0	112.6	A182 A188 F242	A182-D184 PolarHBondContact O-N 3.2Å; D184-A188 VanDerWaalsContact O-CB 3.25Å; D184-A188 WeakPolarHBondContact O-CB 3.39Å; D184-A188 PolarHBondContact O-N 2.96Å; D184-F242 HydrophobicContact CB-CE1 4.37Å
185	I	98.3	Very high	97.8	Very high	6 Å²	6	62.4 Å²	62.4	3%	0.031	33%	0.331	C	S	.	.	H	α-helix	trans	-73.3	-39.4	179.7	-52.9	-173.9	0	0	0	110.5	F149 A182 R183 A188 H189 I238 F242 I244	F149-I185 HydrophobicContact CE1-CB 4.39Å; F149-I185 HydrophobicContact CE1-CG2 3.71Å; F149-I185 HydrophobicContact CE2-CB 4.24Å; F149-I185 HydrophobicContact CE2-CG2 4.39Å; F149-I185 HydrophobicContact CZ-CB 3.72Å; F149-I185 HydrophobicContact CZ-CD1 4.49Å; F149-I185 HydrophobicContact CZ-CG2 3.42Å; F149-I185 VanDerWaalsContact CZ-CG2 3.42Å; A182-I185 HydrophobicContact CB-CD1 3.93Å; A182-I185 HydrophobicContact CB-CG1 4.21Å; A182-I185 PolarHBondContact O-N 3.45Å; A182-I185 VanDerWaalsContact O-N 3.13Å; R183-I185 PolarHBondContact O-N 3.41Å; R183-I185 VanDerWaalsContact O-N 3.15Å; I185-A188 PolarHBondContact O-N 3.23Å; I185-H189 VanDerWaalsContact O-CB 3.31Å; I185-H189 WeakPolarHBondContact O-CB 3.46Å; I185-H189 PolarHBondContact O-N 3.15Å; I185-I238 HydrophobicContact CG2-CG2 3.93Å; I185-F242 HydrophobicContact CB-CD2 4.5Å; I185-F242 HydrophobicContact CD1-CB 3.68Å; I185-F242 HydrophobicContact CD1-CD1 4.12Å; I185-F242 HydrophobicContact CD1-CD2 4.2Å; I185-F242 HydrophobicContact CD1-CG 3.75Å; I185-F242 HydrophobicContact CG1-CB 4.19Å; I185-F242 HydrophobicContact CG1-CD1 3.85Å; I185-F242 HydrophobicContact CG1-CD2 3.79Å; I185-F242 HydrophobicContact CG1-CE1 4.12Å; I185-F242 HydrophobicContact CG1-CE2 4.08Å; I185-F242 HydrophobicContact CG1-CG 3.67Å; I185-F242 HydrophobicContact CG1-CZ 4.24Å; I185-F242 HydrophobicContact CG2-CD2 4.39Å; I185-I244 HydrophobicContact CD1-CD1 3.17Å; I185-I244 HydrophobicContact CD1-CG1 3.72Å
186	V	98.8	Very high	97.8	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.006	30%	0.299	C	S	.	.	H	α-helix	trans	-65.2	-46.8	176.9	-176.5	0	0	0	0	110.1	F149 R183 A188 H189 Y190 T203 W212	F149-V186 HydrophobicContact CE2-CG2 3.96Å; F149-V186 HydrophobicContact CZ-CG2 4.34Å; R183-V186 WeakPolarHBondContact O-CB 3.45Å; R183-V186 PolarHBondContact O-N 2.96Å; V186-A188 VanDerWaalsContact C-N 3.35Å; V186-A188 PolarHBondContact O-N 2.76Å; V186-H189 PolarHBondContact O-N 3.17Å; V186-Y190 WeakPolarHBondContact O-CB 3.14Å; V186-Y190 PolarHBondContact O-N 2.73Å; V186-T203 HydrophobicContact CG1-CG2 4.03Å; V186-W212 HydrophobicContact CB-CE3 4.23Å; V186-W212 HydrophobicContact CB-CZ3 4.32Å; V186-W212 HydrophobicContact CG1-CE3 3.95Å; V186-W212 HydrophobicContact CG1-CZ3 4.17Å; V186-W212 HydrophobicContact CG2-CB 4.33Å; V186-W212 HydrophobicContact CG2-CD2 3.36Å; V186-W212 HydrophobicContact CG2-CE3 3.48Å; V186-W212 VanDerWaalsContact CG2-CE3 3.48Å; V186-W212 HydrophobicContact CG2-CG 3.74Å; V186-W212 HydrophobicContact CG2-CH2 4.12Å; V186-W212 HydrophobicContact CG2-CZ2 4.04Å; V186-W212 HydrophobicContact CG2-CZ3 3.87Å
187	D	98.8	Very high	97.8	Very high	77 Å²	77	58.1 Å²	58.1	41%	0.412	31%	0.309	S	S	.	.	H	α-helix	trans	-66.5	-38.1	179.2	-71.1	-10.7	0	0	0	111.2	R183 R191	R183-D187 PolarHBondContact O-N 2.82Å; D187-R191 WeakPolarHBondContact O-CG 3.35Å; D187-R191 PolarHBondContact O-N 3.25Å; D187-R191 VanDerWaalsContact O-N 3.13Å
188	A	98.9	Very high	98	Very high	34 Å²	34	53.9 Å²	53.9	28%	0.281	27%	0.274	S	S	.	.	H	α-helix	trans	-63.2	-46.3	172.9	0	0	0	0	0	111.7	D184 I185 V186 R191 A192 I238 F242	D184-A188 VanDerWaalsContact O-CB 3.25Å; D184-A188 WeakPolarHBondContact O-CB 3.39Å; D184-A188 PolarHBondContact O-N 2.96Å; I185-A188 PolarHBondContact O-N 3.23Å; V186-A188 VanDerWaalsContact C-N 3.35Å; V186-A188 PolarHBondContact O-N 2.76Å; A188-R191 PolarHBondContact O-N 2.85Å; A188-A192 WeakPolarHBondContact O-CB 3.37Å; A188-A192 PolarHBondContact O-N 2.77Å; A188-I238 HydrophobicContact CB-CG2 4.08Å; A188-F242 HydrophobicContact CB-CE2 4.38Å
189	H	98.9	Very high	98.2	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-61.3	-46.7	177.1	176	-102.1	0	0	0	112.5	I185 V186 R191 A192 C193 F214 A231 L235 I238	I185-H189 VanDerWaalsContact O-CB 3.31Å; I185-H189 WeakPolarHBondContact O-CB 3.46Å; I185-H189 PolarHBondContact O-N 3.15Å; V186-H189 PolarHBondContact O-N 3.17Å; H189-R191 VanDerWaalsContact C-N 3.34Å; H189-R191 PolarHBondContact O-N 2.85Å; H189-A192 PolarHBondContact O-N 2.92Å; H189-A192 VanDerWaalsContact O-N 3.17Å; H189-C193 VanDerWaalsContact CE1-SG 3.51Å; H189-C193 PolarHBondContact NE2-SG 3.02Å; H189-C193 VanDerWaalsContact NE2-SG 3.42Å; H189-C193 PolarHBondContact O-N 3.11Å; H189-C193 PolarHBondContact O-SG 2.82Å; H189-F214 AromaticContact CE1-CD1 3.58Å; H189-F214 AromaticContact CE1-CE1 3.77Å; H189-F214 AromaticContact CE1-CG 3.76Å; H189-A231 PolarHBondContact NE2-O 2.75Å; H189-L235 PolarHBondContact CD2-N 3.39Å; H189-L235 VanDerWaalsContact CD2-N 3.34Å; H189-I238 VanDerWaalsContact CA-CD1 3.44Å; H189-I238 HydrophobicContact CB-CD1 3.99Å
190	Y	98.9	Very high	98.3	Very high	58 Å²	58	50.7 Å²	50.7	23%	0.227	26%	0.255	C	S	.	.	H	α-helix	trans	-55.1	-51.7	176.4	-158.4	-47.6	0	0	0	110.2	V186 A192 C193 L194 V200 S201 G202 T203	V186-Y190 WeakPolarHBondContact O-CB 3.14Å; V186-Y190 PolarHBondContact O-N 2.73Å; Y190-A192 VanDerWaalsContact C-N 3.32Å; Y190-A192 PolarHBondContact O-N 3.32Å; Y190-C193 PolarHBondContact O-N 3.37Å; Y190-L194 HydrophobicContact CD1-CD1 3.61Å; Y190-L194 HydrophobicContact CD1-CG 3.81Å; Y190-L194 HydrophobicContact CE1-CD1 3.66Å; Y190-L194 HydrophobicContact CE1-CD2 4.12Å; Y190-L194 HydrophobicContact CE1-CG 3.84Å; Y190-L194 WeakPolarHBondContact O-CG 3.45Å; Y190-L194 PolarHBondContact O-N 2.98Å; Y190-V200 HydrophobicContact CD1-CG1 3.95Å; Y190-V200 HydrophobicContact CE1-CG1 3.73Å; Y190-V200 HydrophobicContact CE1-CG2 4.35Å; Y190-S201 PolarHBondContact OH-O 2.53Å; Y190-G202 PolarHBondContact OH-N 2.83Å; Y190-T203 HydrophobicContact CD2-CG2 3.34Å; Y190-T203 WeakPolarHBondContact CD2-OG1 3.11Å; Y190-T203 HydrophobicContact CE2-CG2 3.79Å; Y190-T203 HydrophobicContact CG-CG2 4.29Å
191	R	98.9	Very high	98.4	Very high	194 Å²	194	53 Å²	53	73%	0.732	27%	0.272	S	S	*	.	H	α-helix	trans	-62.9	-38.4	179.7	-71	-173.8	72.8	102	5.3	112.6	D187 A188 H189 L194 Y195	D187-R191 WeakPolarHBondContact O-CG 3.35Å; D187-R191 PolarHBondContact O-N 3.25Å; D187-R191 VanDerWaalsContact O-N 3.13Å; A188-R191 PolarHBondContact O-N 2.85Å; H189-R191 VanDerWaalsContact C-N 3.34Å; H189-R191 PolarHBondContact O-N 2.85Å; R191-L194 PolarHBondContact O-N 3.14Å; R191-Y195 WeakPolarHBondContact O-CB 3.33Å; R191-Y195 PolarHBondContact O-N 2.99Å
192	A	98.9	Very high	98.6	Very high	11 Å²	11	51.1 Å²	51.1	9%	0.091	27%	0.268	C	S	.	.	H	α-helix	trans	-64.7	-44.5	177.6	0	0	0	0	0	111.5	P98 A188 H189 Y190 Y195 A196 L234 I238	P98-A192 HydrophobicContact CB-CB 3.87Å; P98-A192 HydrophobicContact CG-CB 3.91Å; A188-A192 WeakPolarHBondContact O-CB 3.37Å; A188-A192 PolarHBondContact O-N 2.77Å; H189-A192 PolarHBondContact O-N 2.92Å; H189-A192 VanDerWaalsContact O-N 3.17Å; Y190-A192 VanDerWaalsContact C-N 3.32Å; Y190-A192 PolarHBondContact O-N 3.32Å; A192-Y195 PolarHBondContact O-N 3Å; A192-A196 VanDerWaalsContact O-CB 3.25Å; A192-A196 WeakPolarHBondContact O-CB 3.45Å; A192-A196 PolarHBondContact O-N 3.02Å; A192-L234 HydrophobicContact CB-CD1 4.21Å; A192-I238 HydrophobicContact CB-CD1 3.7Å
193	C	98.9	Very high	98.7	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-59.1	-48.5	174.6	-74	0	0	0	0	111.7	H189 Y190 Y195 A196 G197 I198 V200	H189-C193 VanDerWaalsContact CE1-SG 3.51Å; H189-C193 PolarHBondContact NE2-SG 3.02Å; H189-C193 VanDerWaalsContact NE2-SG 3.42Å; H189-C193 PolarHBondContact O-N 3.11Å; H189-C193 PolarHBondContact O-SG 2.82Å; Y190-C193 PolarHBondContact O-N 3.37Å; C193-Y195 VanDerWaalsContact C-N 3.35Å; C193-Y195 PolarHBondContact O-N 3.24Å; C193-A196 PolarHBondContact O-N 3.27Å; C193-G197 PolarHBondContact O-N 2.91Å; C193-G197 VanDerWaalsContact O-N 3.09Å; C193-I198 HydrophobicContact CB-CB 4.13Å; C193-I198 HydrophobicContact CB-CG2 4.37Å; C193-I198 PolarHBondContact O-N 3.45Å; C193-V200 HydrophobicContact CB-CB 3.96Å; C193-V200 HydrophobicContact CB-CG1 3.67Å
194	L	98.9	Very high	98.7	Very high	101 Å²	101	49 Å²	49	53%	0.529	26%	0.262	S	S	.	.	H	α-helix	trans	-59.5	-43.5	176.2	-71.5	175.8	0	0	0	112.3	Y190 R191 G197 V200	Y190-L194 HydrophobicContact CD1-CD1 3.61Å; Y190-L194 HydrophobicContact CD1-CG 3.81Å; Y190-L194 HydrophobicContact CE1-CD1 3.66Å; Y190-L194 HydrophobicContact CE1-CD2 4.12Å; Y190-L194 HydrophobicContact CE1-CG 3.84Å; Y190-L194 WeakPolarHBondContact O-CG 3.45Å; Y190-L194 PolarHBondContact O-N 2.98Å; R191-L194 PolarHBondContact O-N 3.14Å; L194-G197 PolarHBondContact O-N 3.09Å; L194-V200 HydrophobicContact CD2-CG1 3.72Å; L194-V200 HydrophobicContact CG-CG1 3.86Å
195	Y	98.9	Very high	98.8	Very high	89 Å²	89	43.6 Å²	43.6	35%	0.349	23%	0.234	S	C	.	.	H	α-helix	trans	-64.5	-42.5	177.5	179.2	-86.9	0	0	0	111.8	K96 D97 P98 R101 G102 R191 A192 C193 G197	K96-Y195 HydrophobicContact CB-CD1 4.04Å; K96-Y195 HydrophobicContact CB-CE1 3.71Å; K96-Y195 WeakPolarHBondContact CD-O 3.35Å; D97-Y195 WeakPolarHBondContact O-CE1 3.27Å; P98-Y195 HydrophobicContact CB-CD1 3.81Å; P98-Y195 HydrophobicContact CB-CG 4.45Å; R101-Y195 WeakPolarHBondContact CA-OH 3.15Å; G102-Y195 PolarHBondContact N-OH 3.08Å; R191-Y195 WeakPolarHBondContact O-CB 3.33Å; R191-Y195 PolarHBondContact O-N 2.99Å; A192-Y195 PolarHBondContact O-N 3Å; C193-Y195 VanDerWaalsContact C-N 3.35Å; C193-Y195 PolarHBondContact O-N 3.24Å; Y195-G197 PolarHBondContact O-N 3.46Å
196	A	98.8	Very high	98.8	Very high	5 Å²	5	44 Å²	44	4%	0.041	24%	0.235	C	C	.	.	H	α-helix	trans	-65.3	-22.7	179.9	0	0	0	0	0	112.9	K96 A192 C193 I198 L234	K96-A196 PolarHBondContact N-O 3.04Å; K96-A196 VanDerWaalsContact N-O 3.16Å; K96-A196 WeakPolarHBondContact O-CA 3.37Å; K96-A196 WeakPolarHBondContact O-CB 3.35Å; A192-A196 VanDerWaalsContact O-CB 3.25Å; A192-A196 WeakPolarHBondContact O-CB 3.45Å; A192-A196 PolarHBondContact O-N 3.02Å; C193-A196 PolarHBondContact O-N 3.27Å; A196-I198 HydrophobicContact CB-CD1 4.34Å; A196-I198 HydrophobicContact CB-CG1 4.24Å; A196-L234 HydrophobicContact CB-CD1 4.03Å
197	G	98.6	Very high	98.7	Very high	55 Å²	55	45.1 Å²	45.1	57%	0.567	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	92	11.9	-175.9	0	0	0	0	0	113.9	C193 L194 Y195	C193-G197 PolarHBondContact O-N 2.91Å; C193-G197 VanDerWaalsContact O-N 3.09Å; L194-G197 PolarHBondContact O-N 3.09Å; Y195-G197 PolarHBondContact O-N 3.46Å
198	I	98.9	Very high	98.7	Very high	6 Å²	6	41.4 Å²	41.4	3%	0.031	22%	0.222	C	C	.	.			trans	-69	136.9	173.4	-64.7	173.7	0	0	0	108.5	Y95 C193 A196 V200 V216 D227 M230 A231 L234	Y95-I198 HydrophobicContact CD1-CG1 3.78Å; Y95-I198 HydrophobicContact CE1-CG1 3.83Å; C193-I198 HydrophobicContact CB-CB 4.13Å; C193-I198 HydrophobicContact CB-CG2 4.37Å; C193-I198 PolarHBondContact O-N 3.45Å; A196-I198 HydrophobicContact CB-CD1 4.34Å; A196-I198 HydrophobicContact CB-CG1 4.24Å; I198-V200 PolarHBondContact O-N 2.96Å; I198-V216 HydrophobicContact CG2-CG1 4.48Å; I198-D227 HydrophobicContact CG2-CB 4.13Å; I198-M230 HydrophobicContact CD1-CB 3.92Å; I198-A231 HydrophobicContact CD1-CB 4.26Å; I198-A231 HydrophobicContact CG2-CB 4.22Å; I198-L234 HydrophobicContact CD1-CD1 3.69Å; I198-L234 HydrophobicContact CD1-CG 4.44Å
199	K	98.6	Very high	98.7	Very high	111 Å²	111	39.9 Å²	39.9	48%	0.483	21%	0.209	S	C	.	.			trans	-76.3	56.1	178.1	-69.3	178	165.3	-175.1	0	112.7	S201 V216 G217 P218 C219 D227	K199-S201 PolarHBondContact O-N 2.85Å; K199-V216 CarbonylContact O-C 3.5Å; K199-V216 WeakPolarHBondContact O-CA 3.39Å; K199-G217 PolarHBondContact O-N 2.94Å; K199-P218 PolarHBondContact NZ-O 2.79Å; K199-C219 VanDerWaalsContact CD-SG 3.51Å; K199-D227 WeakPolarHBondContact CB-OD2 3.44Å; K199-D227 PolarHBondContact N-OD2 3.14Å
200	V	98.8	Very high	98.6	Very high	13 Å²	13	40 Å²	40	8%	0.079	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	130.9	169	66	0	0	0	0	109.4	Y190 C193 L194 I198 Q215	Y190-V200 HydrophobicContact CD1-CG1 3.95Å; Y190-V200 HydrophobicContact CE1-CG1 3.73Å; Y190-V200 HydrophobicContact CE1-CG2 4.35Å; C193-V200 HydrophobicContact CB-CB 3.96Å; C193-V200 HydrophobicContact CB-CG1 3.67Å; L194-V200 HydrophobicContact CD2-CG1 3.72Å; L194-V200 HydrophobicContact CG-CG1 3.86Å; I198-V200 PolarHBondContact O-N 2.96Å; V200-Q215 CarbonylContact C-O 3.58Å; V200-Q215 VanDerWaalsContact CA-O 3.3Å; V200-Q215 WeakPolarHBondContact CA-O 3.43Å; V200-Q215 WeakPolarHBondContact CG2-O 3.23Å
201	S	98.5	Very high	98.6	Very high	68 Å²	68	37.4 Å²	37.4	48%	0.476	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	-16	-176.3	49.1	0	0	0	0	114.1	Y190 K199 Q215 G217	Y190-S201 PolarHBondContact OH-O 2.53Å; K199-S201 PolarHBondContact O-N 2.85Å; S201-Q215 PolarHBondContact N-O 2.75Å; S201-Q215 WeakPolarHBondContact OG-CB 3.45Å; S201-Q215 PolarHBondContact OG-O 2.78Å; S201-G217 WeakPolarHBondContact CB-O 3.33Å; S201-G217 PolarHBondContact OG-O 3.31Å; S201-G217 VanDerWaalsContact OG-O 3.13Å
202	G	98.7	Very high	98.6	Very high	11 Å²	11	28.3 Å²	28.3	11%	0.113	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.9	175.5	-179.4	0	0	0	0	0	113.3	Y190 F214 Q215	Y190-G202 PolarHBondContact OH-N 2.83Å; G202-F214 WeakPolarHBondContact O-CA 3.35Å; G202-Q215 PolarHBondContact O-N 3.34Å; G202-Q215 PolarHBondContact O-OE1 3.08Å
203	T	98.8	Very high	98.6	Very high	42 Å²	42	28.2 Å²	28.2	26%	0.258	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	152	173.7	54.3	0	0	0	0	110.4	V186 Y190 E213 F214	V186-T203 HydrophobicContact CG1-CG2 4.03Å; Y190-T203 HydrophobicContact CD2-CG2 3.34Å; Y190-T203 WeakPolarHBondContact CD2-OG1 3.11Å; Y190-T203 HydrophobicContact CE2-CG2 3.79Å; Y190-T203 HydrophobicContact CG-CG2 4.29Å; T203-E213 WeakPolarHBondContact CA-O 3.43Å; T203-E213 WeakPolarHBondContact CB-O 3.35Å; T203-F214 HydrophobicContact CG2-CB 3.74Å
204	N	98.8	Very high	98.6	Very high	27 Å²	27	28.2 Å²	28.2	14%	0.144	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	157	169.3	52.1	-82	0	0	0	111.6	E206 E213 Q215	N204-E206 PolarHBondContact ND2-OE1 2.93Å; N204-E213 PolarHBondContact N-O 3.44Å; N204-E213 VanDerWaalsContact N-O 3.08Å; N204-E213 PolarHBondContact O-N 2.77Å; N204-Q215 PolarHBondContact OD1-NE2 3.01Å
205	A	98.8	Very high	98.6	Very high	7 Å²	7	25.1 Å²	25.1	6%	0.058	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	132.1	164.6	0	0	0	0	0	108.4	Y172 C173 W212	Y172-A205 WeakPolarHBondContact CD2-O 3.47Å; C173-A205 PolarHBondContact N-O 2.86Å; A205-W212 VanDerWaalsContact CA-CE3 3.42Å; A205-W212 HydrophobicContact CB-CD2 4.32Å; A205-W212 HydrophobicContact CB-CE3 3.83Å; A205-W212 HydrophobicContact CB-CH2 3.97Å; A205-W212 HydrophobicContact CB-CZ2 4.43Å; A205-W212 HydrophobicContact CB-CZ3 3.64Å
206	E	98.6	Very high	98.6	Very high	14 Å²	14	20.9 Å²	20.9	7%	0.065	13%	0.13	C	C	.	.			trans	-87.9	177.4	-177.6	-100	-51.9	124.5	0	0	112.8	E146 Y172 N204 Q211 E213	E146-E206 HydrophobicContact CG-CG 4.1Å; Y172-E206 PolarHBondContact N-O 2.89Å; N204-E206 PolarHBondContact ND2-OE1 2.93Å; E206-Q211 HydrophobicContact CB-CB 3.8Å; E206-Q211 HydrophobicContact CB-CG 3.61Å; E206-Q211 HydrophobicContact CG-CG 4.3Å; E206-Q211 PolarHBondContact N-O 2.97Å; E206-E213 HydrophobicContact CG-CB 4.07Å
207	V	97.8	Very high	98.6	Very high	24 Å²	24	20.9 Å²	20.9	15%	0.145	13%	0.131	C	C	.	.	S	Bend	trans	-64.6	-40.5	-173.7	179.3	0	0	0	0	112.8	Q168 Y171 Y172 N258	Q168-V207 HydrophobicContact CB-CG1 3.93Å; Q168-V207 HydrophobicContact CG-CG1 4.32Å; Y171-V207 WeakPolarHBondContact CD2-O 3.33Å; Y172-V207 HydrophobicContact CD2-CG2 4.07Å; Y172-V207 HydrophobicContact CG-CG2 4.37Å; V207-N258 HydrophobicContact CB-CB 4.22Å; V207-N258 HydrophobicContact CG1-CB 4.49Å; V207-N258 WeakPolarHBondContact CG1-OD1 3.46Å
208	M	98.2	Very high	98.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	-79.1	133.7	176.6	179.1	-176.1	152.7	0	0	109.8	T148 P156 W159 A210 Q211 P252 M253 W257 N258	T148-M208 HydrophobicContact CG2-CE 3.88Å; P156-M208 HydrophobicContact CB-CE 4.03Å; P156-M208 HydrophobicContact CG-CE 3.82Å; W159-M208 HydrophobicContact CH2-CE 3.85Å; W159-M208 HydrophobicContact CZ2-CE 3.43Å; W159-M208 VanDerWaalsContact CZ2-CE 3.43Å; W159-M208 HydrophobicContact CZ2-CG 3.89Å; W159-M208 HydrophobicContact CZ2-SD 4.34Å; M208-A210 PolarHBondContact O-N 3.28Å; M208-Q211 HydrophobicContact CB-CB 3.83Å; M208-Q211 VanDerWaalsContact CB-OE1 3.29Å; M208-Q211 HydrophobicContact CG-CB 4.49Å; M208-Q211 WeakPolarHBondContact O-CA 3.33Å; M208-Q211 WeakPolarHBondContact O-CB 3.36Å; M208-Q211 PolarHBondContact O-N 3.42Å; M208-P252 HydrophobicContact SD-CG 4.37Å; M208-M253 HydrophobicContact CE-CB 4.08Å; M208-M253 HydrophobicContact CE-CG 3.41Å; M208-M253 VanDerWaalsContact CE-CG 3.41Å; M208-M253 HydrophobicContact SD-CB 4.38Å; M208-M253 HydrophobicContact SD-CG 4.33Å; M208-W257 HydrophobicContact CG-CB 4.46Å; M208-W257 HydrophobicContact CG-CE3 4.17Å; M208-W257 HydrophobicContact SD-CB 4.14Å; M208-N258 HydrophobicContact CB-CB 4.37Å
209	P	97.7	Very high	98.5	Very high	1 Å²	1	22 Å²	22	1%	0.006	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	135.5	176.1	19.3	-25.4	0	0	0	111.1	W159 P165 Y171 Y181 W257	W159-P209 HydrophobicContact CZ2-CG 3.79Å; W159-P209 PolarHBondContact NE1-O 3.48Å; P165-P209 HydrophobicContact CB-CG 4.26Å; P165-P209 HydrophobicContact CG-CB 4.39Å; P165-P209 HydrophobicContact CG-CG 3.46Å; P165-P209 VanDerWaalsContact CG-CG 3.46Å; Y171-P209 HydrophobicContact CD1-CB 3.81Å; Y171-P209 HydrophobicContact CD1-CG 4.36Å; Y171-P209 HydrophobicContact CD2-CB 4.2Å; Y171-P209 HydrophobicContact CD2-CG 3.97Å; Y171-P209 HydrophobicContact CE1-CB 3.91Å; Y171-P209 HydrophobicContact CE1-CG 4.2Å; Y171-P209 HydrophobicContact CE2-CB 4.27Å; Y171-P209 HydrophobicContact CE2-CG 3.77Å; Y171-P209 HydrophobicContact CG-CB 3.97Å; Y171-P209 HydrophobicContact CG-CG 4.26Å; Y181-P209 HydrophobicContact CD2-CB 4.15Å; Y181-P209 HydrophobicContact CE2-CB 3.76Å; P209-W257 HydrophobicContact CG-CZ3 4.03Å
210	A	97.6	Very high	98.5	Very high	4 Å²	4	21.3 Å²	21.3	3%	0.033	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	1	-168.8	0	0	0	0	0	115.9	F149 L157 Y181 M208	F149-A210 PolarHBondContact N-O 2.91Å; L157-A210 HydrophobicContact CB-CB 4.29Å; L157-A210 WeakPolarHBondContact O-CB 3.36Å; Y181-A210 HydrophobicContact CD2-CB 4.31Å; M208-A210 PolarHBondContact O-N 3.28Å
211	Q	98.8	Very high	98.3	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.009	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	143.2	169.4	-164.5	-176.5	24.7	0	0	110.4	Y147 E206 M208 G259	Y147-Q211 WeakPolarHBondContact O-CA 3.47Å; Y147-Q211 VanDerWaalsContact O-CG 3.22Å; Y147-Q211 WeakPolarHBondContact O-CG 3.32Å; E206-Q211 HydrophobicContact CB-CB 3.8Å; E206-Q211 HydrophobicContact CB-CG 3.61Å; E206-Q211 HydrophobicContact CG-CG 4.3Å; E206-Q211 PolarHBondContact N-O 2.97Å; M208-Q211 HydrophobicContact CB-CB 3.83Å; M208-Q211 VanDerWaalsContact CB-OE1 3.29Å; M208-Q211 HydrophobicContact CG-CB 4.49Å; M208-Q211 WeakPolarHBondContact O-CA 3.33Å; M208-Q211 WeakPolarHBondContact O-CB 3.36Å; M208-Q211 PolarHBondContact O-N 3.42Å; Q211-G259 PolarHBondContact NE2-O 3.49Å
212	W	98.9	Very high	98.3	Very high	3 Å²	3	19.2 Å²	19.2	1%	0.011	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	163.8	-177.2	-68.9	91.9	0	0	0	110.6	E146 Y147 F149 V180 Y181 R183 V186 A205	E146-W212 CarbonylContact C-O 3.52Å; E146-W212 WeakPolarHBondContact CA-O 3.39Å; Y147-W212 HydrophobicContact CD1-CB 4.49Å; Y147-W212 WeakPolarHBondContact CD1-O 3.36Å; Y147-W212 HydrophobicContact CE1-CB 3.76Å; Y147-W212 HydrophobicContact CE2-CB 3.85Å; Y147-W212 VanDerWaalsContact CZ-CB 3.43Å; Y147-W212 PolarHBondContact N-O 2.82Å; Y147-W212 PolarHBondContact O-N 3.34Å; Y147-W212 WeakPolarHBondContact OH-CB 3.09Å; F149-W212 AromaticContact CD2-CD1 3.45Å; F149-W212 VanDerWaalsContact CD2-CD1 3.45Å; F149-W212 AromaticContact CD2-NE1 3.72Å; F149-W212 AromaticContact CE2-CD1 3.45Å; F149-W212 VanDerWaalsContact CE2-CD1 3.45Å; F149-W212 HydrophobicContact CE2-CG 4.17Å; F149-W212 AromaticContact CE2-NE1 3.75Å; V180-W212 HydrophobicContact CG1-CH2 3.5Å; V180-W212 HydrophobicContact CG1-CZ2 3.52Å; Y181-W212 VanDerWaalsContact O-CZ2 3.28Å; Y181-W212 WeakPolarHBondContact O-CZ2 3.29Å; Y181-W212 PolarHBondContact O-NE1 2.9Å; R183-W212 HydrophobicContact CB-CH2 3.86Å; R183-W212 HydrophobicContact CB-CZ2 4.19Å; R183-W212 HydrophobicContact CG-CH2 4.05Å; V186-W212 HydrophobicContact CB-CE3 4.23Å; V186-W212 HydrophobicContact CB-CZ3 4.32Å; V186-W212 HydrophobicContact CG1-CE3 3.95Å; V186-W212 HydrophobicContact CG1-CZ3 4.17Å; V186-W212 HydrophobicContact CG2-CB 4.33Å; V186-W212 HydrophobicContact CG2-CD2 3.36Å; V186-W212 HydrophobicContact CG2-CE3 3.48Å; V186-W212 VanDerWaalsContact CG2-CE3 3.48Å; V186-W212 HydrophobicContact CG2-CG 3.74Å; V186-W212 HydrophobicContact CG2-CH2 4.12Å; V186-W212 HydrophobicContact CG2-CZ2 4.04Å; V186-W212 HydrophobicContact CG2-CZ3 3.87Å; A205-W212 VanDerWaalsContact CA-CE3 3.42Å; A205-W212 HydrophobicContact CB-CD2 4.32Å; A205-W212 HydrophobicContact CB-CE3 3.83Å; A205-W212 HydrophobicContact CB-CH2 3.97Å; A205-W212 HydrophobicContact CB-CZ2 4.43Å; A205-W212 HydrophobicContact CB-CZ3 3.64Å
213	E	98.9	Very high	98.2	Very high	10 Å²	10	20.4 Å²	20.4	5%	0.047	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	144.1	175.4	-167.7	-176.1	118.4	0	0	110.6	E144 Q145 E146 T203 N204 E206 Q215	E144-E213 HydrophobicContact CB-CG 4.38Å; E144-E213 WeakPolarHBondContact CB-OE1 3.25Å; E144-E213 WeakPolarHBondContact CG-OE1 3.45Å; Q145-E213 VanDerWaalsContact O-CA 3.28Å; Q145-E213 WeakPolarHBondContact O-CA 3.37Å; E146-E213 HydrophobicContact CG-CB 4.22Å; E146-E213 HydrophobicContact CG-CG 3.94Å; E146-E213 WeakPolarHBondContact CG-OE2 3.18Å; T203-E213 WeakPolarHBondContact CA-O 3.43Å; T203-E213 WeakPolarHBondContact CB-O 3.35Å; N204-E213 PolarHBondContact N-O 3.44Å; N204-E213 VanDerWaalsContact N-O 3.08Å; N204-E213 PolarHBondContact O-N 2.77Å; E206-E213 HydrophobicContact CG-CB 4.07Å; E213-Q215 PolarHBondContact OE1-NE2 3.4Å
214	F	98.9	Very high	98.2	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	146.3	160.6	67.7	-96.2	0	0	0	110.4	Q145 Y147 H189 G202 T203 V216 L228 A231 L235	Q145-F214 HydrophobicContact CB-CD1 4.21Å; Q145-F214 HydrophobicContact CB-CD2 4.14Å; Q145-F214 HydrophobicContact CB-CE1 3.81Å; Q145-F214 HydrophobicContact CB-CE2 3.75Å; Q145-F214 HydrophobicContact CB-CG 4.36Å; Q145-F214 HydrophobicContact CB-CZ 3.58Å; Q145-F214 HydrophobicContact CG-CD1 4.26Å; Q145-F214 HydrophobicContact CG-CE1 3.5Å; Q145-F214 VanDerWaalsContact CG-CE1 3.5Å; Q145-F214 HydrophobicContact CG-CE2 4.16Å; Q145-F214 HydrophobicContact CG-CZ 3.45Å; Q145-F214 VanDerWaalsContact CG-CZ 3.45Å; Q145-F214 PolarHBondContact N-O 2.97Å; Q145-F214 PolarHBondContact O-N 3.16Å; Y147-F214 HydrophobicContact CD1-CD1 4.02Å; Y147-F214 HydrophobicContact CD1-CE1 4.15Å; Y147-F214 AromaticContact CE1-CD1 3.58Å; Y147-F214 HydrophobicContact CE1-CD1 3.58Å; Y147-F214 HydrophobicContact CE1-CE1 4.11Å; H189-F214 AromaticContact CE1-CD1 3.58Å; H189-F214 AromaticContact CE1-CE1 3.77Å; H189-F214 AromaticContact CE1-CG 3.76Å; G202-F214 WeakPolarHBondContact O-CA 3.35Å; T203-F214 HydrophobicContact CG2-CB 3.74Å; F214-V216 HydrophobicContact CD2-CG2 3.81Å; F214-V216 HydrophobicContact CE2-CG2 3.67Å; F214-L228 HydrophobicContact CE2-CD1 3.72Å; F214-L228 HydrophobicContact CZ-CD1 4.03Å; F214-A231 HydrophobicContact CD2-CB 4.44Å; F214-A231 HydrophobicContact CE2-CB 3.53Å; F214-A231 HydrophobicContact CZ-CB 3.87Å; F214-L235 HydrophobicContact CE1-CD2 4.17Å
215	Q	98.9	Very high	98.2	Very high	35 Å²	35	17.2 Å²	17.2	16%	0.164	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	134.3	179	-57.9	88.3	46.1	0	0	110.8	I143 E144 V200 S201 G202 N204 E213	I143-Q215 WeakPolarHBondContact O-CA 3.43Å; E144-Q215 HydrophobicContact CB-CG 4.43Å; E144-Q215 HydrophobicContact CG-CG 3.81Å; V200-Q215 CarbonylContact C-O 3.58Å; V200-Q215 VanDerWaalsContact CA-O 3.3Å; V200-Q215 WeakPolarHBondContact CA-O 3.43Å; V200-Q215 WeakPolarHBondContact CG2-O 3.23Å; S201-Q215 PolarHBondContact N-O 2.75Å; S201-Q215 WeakPolarHBondContact OG-CB 3.45Å; S201-Q215 PolarHBondContact OG-O 2.78Å; G202-Q215 PolarHBondContact O-N 3.34Å; G202-Q215 PolarHBondContact O-OE1 3.08Å; N204-Q215 PolarHBondContact OD1-NE2 3.01Å; E213-Q215 PolarHBondContact OE1-NE2 3.4Å
216	V	98.9	Very high	98.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	132.9	173.2	-178.3	0	0	0	0	109.1	G142 I143 I198 K199 F214 I224 D227 L228 A231	G142-V216 CarbonylContact C-O 3.42Å; G142-V216 WeakPolarHBondContact CA-O 3.18Å; I143-V216 PolarHBondContact N-O 3.37Å; I143-V216 PolarHBondContact O-N 2.99Å; I198-V216 HydrophobicContact CG2-CG1 4.48Å; K199-V216 CarbonylContact O-C 3.5Å; K199-V216 WeakPolarHBondContact O-CA 3.39Å; F214-V216 HydrophobicContact CD2-CG2 3.81Å; F214-V216 HydrophobicContact CE2-CG2 3.67Å; V216-I224 HydrophobicContact CB-CD1 4.14Å; V216-I224 HydrophobicContact CG1-CD1 3.77Å; V216-I224 WeakPolarHBondContact O-CD1 3.25Å; V216-D227 HydrophobicContact CG1-CB 3.64Å; V216-L228 HydrophobicContact CG2-CD1 4Å; V216-A231 HydrophobicContact CG2-CB 4.17Å
217	G	98.2	Very high	98.2	Very high	6 Å²	6	17.3 Å²	17.3	6%	0.062	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	116.9	177.1	176.8	0	0	0	0	0	113.8	K199 S201	K199-G217 PolarHBondContact O-N 2.94Å; S201-G217 WeakPolarHBondContact CB-O 3.33Å; S201-G217 PolarHBondContact OG-O 3.31Å; S201-G217 VanDerWaalsContact OG-O 3.13Å
218	P	98.3	Very high	98.3	Very high	82 Å²	82	16.2 Å²	16.2	53%	0.532	9%	0.093	S	C	.	.	E	Extended strand (participates in β ladder)	cis	-74.2	133.4	10.4	28.4	-34.2	0	0	0	113.7	W140 F141 K199	W140-P218 HydrophobicContact CB-CB 4.48Å; W140-P218 HydrophobicContact CD2-CB 4.49Å; W140-P218 HydrophobicContact CE3-CB 4.13Å; F141-P218 CarbonylContact O-C 3.55Å; F141-P218 WeakPolarHBondContact O-CA 3.37Å; K199-P218 PolarHBondContact NZ-O 2.79Å
219	C	98.2	Very high	98.3	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.007	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	145.7	176.4	-68	0	0	0	0	109.8	W140 F141 K199 S223 I224	W140-C219 CarbonylContact C-O 3.55Å; W140-C219 WeakPolarHBondContact CA-O 3.34Å; F141-C219 PolarHBondContact N-O 2.94Å; F141-C219 PolarHBondContact O-N 3.28Å; K199-C219 VanDerWaalsContact CD-SG 3.51Å; C219-S223 WeakPolarHBondContact CB-OG 3.35Å; C219-I224 HydrophobicContact CB-CB 3.63Å; C219-I224 HydrophobicContact CB-CD1 3.88Å; C219-I224 HydrophobicContact CB-CG1 4.29Å
220	E	97.8	Very high	98.4	Very high	98 Å²	98	16.3 Å²	16.3	46%	0.458	9%	0.093	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	130	-179.6	-171.4	179.8	155.2	0	0	110.7	P139 I222 S223	P139-E220 WeakPolarHBondContact O-CA 3.38Å; E220-I222 PolarHBondContact O-N 2.98Å; E220-S223 PolarHBondContact N-OG 2.9Å; E220-S223 PolarHBondContact O-N 3.49Å; E220-S223 PolarHBondContact O-OG 3.03Å
221	G	95.2	Very high	98.5	Very high	8 Å²	8	16.1 Å²	16.1	8%	0.082	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	-122.5	174.9	0	0	0	0	0	113.5	P139 S223 I224	P139-G221 PolarHBondContact O-N 3.04Å; G221-S223 VanDerWaalsContact C-N 3.26Å; G221-S223 PolarHBondContact O-N 3.12Å; G221-I224 WeakPolarHBondContact O-CG2 3.31Å
222	I	97.6	Very high	98.5	Very high	29 Å²	29	16.1 Å²	16.1	15%	0.149	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-26.9	-172.7	-161.8	62.8	0	0	0	114.2	R124 C127 L128 E220 I224 G225 D226 Y359	R124-I222 HydrophobicContact CG-CD1 3.97Å; R124-I222 HydrophobicContact CG-CG1 4.29Å; C127-I222 HydrophobicContact CB-CD1 3.96Å; L128-I222 HydrophobicContact CB-CD1 4.02Å; L128-I222 HydrophobicContact CB-CG1 4.25Å; L128-I222 HydrophobicContact CD1-CB 4.09Å; L128-I222 HydrophobicContact CD1-CG1 4.12Å; L128-I222 HydrophobicContact CD1-CG2 4.02Å; E220-I222 PolarHBondContact O-N 2.98Å; I222-I224 PolarHBondContact O-N 3.49Å; I222-G225 PolarHBondContact O-N 3.23Å; I222-G225 VanDerWaalsContact O-N 3.07Å; I222-D226 PolarHBondContact O-N 2.94Å; I222-Y359 HydrophobicContact CD1-CD1 3.69Å; I222-Y359 HydrophobicContact CD1-CE1 3.79Å; I222-Y359 HydrophobicContact CG1-CE1 4.26Å
223	S	98.2	Very high	98.5	Very high	35 Å²	35	16.4 Å²	16.4	25%	0.245	9%	0.093	C	C	.	.	H	α-helix	trans	-64.6	-24.8	-171.3	60.5	0	0	0	0	113.6	C219 E220 G221 G225 D226 D227	C219-S223 WeakPolarHBondContact CB-OG 3.35Å; E220-S223 PolarHBondContact N-OG 2.9Å; E220-S223 PolarHBondContact O-N 3.49Å; E220-S223 PolarHBondContact O-OG 3.03Å; G221-S223 VanDerWaalsContact C-N 3.26Å; G221-S223 PolarHBondContact O-N 3.12Å; S223-G225 VanDerWaalsContact C-N 3.3Å; S223-G225 PolarHBondContact O-N 3.15Å; S223-D226 PolarHBondContact O-N 3.13Å; S223-D227 WeakPolarHBondContact O-CB 3.25Å; S223-D227 PolarHBondContact O-N 3.21Å
224	I	98.8	Very high	98.5	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-64.2	-36.7	175.6	-170.8	58.4	0	0	0	112.1	F141 I143 V216 C219 G221 I222 L228 V362	F141-I224 HydrophobicContact CB-CB 3.92Å; F141-I224 HydrophobicContact CB-CG1 3.8Å; F141-I224 HydrophobicContact CB-CG2 3.84Å; F141-I224 HydrophobicContact CD2-CG2 4.25Å; F141-I224 HydrophobicContact CG-CG2 4.14Å; I143-I224 HydrophobicContact CD1-CD1 4.37Å; I143-I224 HydrophobicContact CD1-CG1 3.64Å; I143-I224 HydrophobicContact CG1-CD1 4.14Å; I143-I224 HydrophobicContact CG1-CG1 3.82Å; V216-I224 HydrophobicContact CB-CD1 4.14Å; V216-I224 HydrophobicContact CG1-CD1 3.77Å; V216-I224 WeakPolarHBondContact O-CD1 3.25Å; C219-I224 HydrophobicContact CB-CB 3.63Å; C219-I224 HydrophobicContact CB-CD1 3.88Å; C219-I224 HydrophobicContact CB-CG1 4.29Å; G221-I224 WeakPolarHBondContact O-CG2 3.31Å; I222-I224 PolarHBondContact O-N 3.49Å; I224-L228 VanDerWaalsContact O-CB 3.27Å; I224-L228 WeakPolarHBondContact O-CB 3.28Å; I224-L228 PolarHBondContact O-N 2.91Å; I224-V362 HydrophobicContact CG2-CG2 3.38Å
225	G	98.8	Very high	98.5	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.01	9%	0.091	C	C	.	.	H	α-helix	trans	-73.5	-40.9	179.1	0	0	0	0	0	111.6	I222 S223 W229	I222-G225 PolarHBondContact O-N 3.23Å; I222-G225 VanDerWaalsContact O-N 3.07Å; S223-G225 VanDerWaalsContact C-N 3.3Å; S223-G225 PolarHBondContact O-N 3.15Å; G225-W229 WeakPolarHBondContact O-CB 3.5Å; G225-W229 VanDerWaalsContact O-CD1 3.25Å; G225-W229 PolarHBondContact O-N 2.85Å
226	D	98.8	Very high	98.5	Very high	10 Å²	10	17.3 Å²	17.3	5%	0.053	10%	0.097	C	C	.	.	H	α-helix	trans	-59.4	-50	174.4	-70.7	-43.5	0	0	0	110.4	A93 Y95 R124 I222 S223 M230 Y359	A93-D226 HydrophobicContact CB-CB 4.41Å; Y95-D226 VanDerWaalsContact OH-C 3.22Å; Y95-D226 WeakPolarHBondContact OH-CB 3.47Å; Y95-D226 PolarHBondContact OH-O 2.8Å; R124-D226 IonicContact CZ-OD1 2.66Å; R124-D226 IonicContact CZ-OD2 3.11Å; R124-D226 IonicContact NE-OD1 2.81Å; R124-D226 PolarHBondContact NE-OD1 3.37Å; R124-D226 IonicContact NE-OD2 3.98Å; R124-D226 IonicContact NH2-OD1 3.46Å; R124-D226 PolarHBondContact NH2-OD1 3.04Å; R124-D226 IonicContact NH2-OD2 2.91Å; R124-D226 PolarHBondContact NH2-OD2 3.27Å; I222-D226 PolarHBondContact O-N 2.94Å; S223-D226 PolarHBondContact O-N 3.13Å; D226-M230 WeakPolarHBondContact O-CG 3.33Å; D226-M230 PolarHBondContact O-N 2.89Å; D226-Y359 WeakPolarHBondContact CA-OH 3.43Å; D226-Y359 PolarHBondContact N-OH 2.73Å; D226-Y359 PolarHBondContact OD1-OH 3.16Å
227	D	98.9	Very high	98.5	Very high	14 Å²	14	19.7 Å²	19.7	8%	0.075	11%	0.106	C	C	.	.	H	α-helix	trans	-65.6	-43.4	-179.2	-87.8	19	0	0	0	112.1	Y95 I198 K199 V216 S223 M230 A231	Y95-D227 WeakPolarHBondContact CE1-OD1 3.15Å; Y95-D227 PolarHBondContact OH-N 2.82Å; Y95-D227 PolarHBondContact OH-OD1 3.34Å; Y95-D227 VanDerWaalsContact OH-OD1 3.14Å; I198-D227 HydrophobicContact CG2-CB 4.13Å; K199-D227 WeakPolarHBondContact CB-OD2 3.44Å; K199-D227 PolarHBondContact N-OD2 3.14Å; V216-D227 HydrophobicContact CG1-CB 3.64Å; S223-D227 WeakPolarHBondContact O-CB 3.25Å; S223-D227 PolarHBondContact O-N 3.21Å; D227-M230 PolarHBondContact O-N 2.94Å; D227-A231 WeakPolarHBondContact O-CB 3.28Å; D227-A231 PolarHBondContact O-N 3.43Å
228	L	98.9	Very high	98.5	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-69.2	-42.3	-177.5	-177.8	62.3	0	0	0	112.2	I143 Q145 F214 V216 I224 M230 A231 R232 P358	I143-L228 HydrophobicContact CB-CD2 4.19Å; I143-L228 HydrophobicContact CD1-CD2 3.92Å; I143-L228 HydrophobicContact CG2-CD2 3.77Å; Q145-L228 HydrophobicContact CB-CD1 3.97Å; Q145-L228 HydrophobicContact CG-CD1 4.38Å; F214-L228 HydrophobicContact CE2-CD1 3.72Å; F214-L228 HydrophobicContact CZ-CD1 4.03Å; V216-L228 HydrophobicContact CG2-CD1 4Å; I224-L228 VanDerWaalsContact O-CB 3.27Å; I224-L228 WeakPolarHBondContact O-CB 3.28Å; I224-L228 PolarHBondContact O-N 2.91Å; L228-M230 VanDerWaalsContact C-N 3.29Å; L228-M230 PolarHBondContact O-N 3.05Å; L228-A231 PolarHBondContact O-N 3.24Å; L228-R232 WeakPolarHBondContact O-CG 3.47Å; L228-R232 PolarHBondContact O-N 2.89Å; L228-P358 HydrophobicContact CB-CB 4.46Å; L228-P358 HydrophobicContact CB-CG 4.23Å; L228-P358 HydrophobicContact CD2-CB 3.85Å; L228-P358 HydrophobicContact CD2-CG 3.98Å; L228-P358 HydrophobicContact CG-CG 4.4Å
229	W	98.9	Very high	98.5	Very high	2 Å²	2	15.9 Å²	15.9	1%	0.008	8%	0.08	C	C	.	.	H	α-helix	trans	-61.4	-40	175.6	-85.2	118.2	0	0	0	111.8	I43 E48 L50 M108 G225 R232 F233 D357 P358 Y359	I43-W229 HydrophobicContact CD1-CD2 3.84Å; I43-W229 HydrophobicContact CD1-CG 4.14Å; I43-W229 HydrophobicContact CD1-CH2 4.42Å; I43-W229 HydrophobicContact CD1-CZ2 3.72Å; I43-W229 HydrophobicContact CG1-CD2 4Å; I43-W229 HydrophobicContact CG1-CE3 4.24Å; I43-W229 HydrophobicContact CG1-CH2 4.3Å; I43-W229 HydrophobicContact CG1-CZ2 4.09Å; I43-W229 HydrophobicContact CG1-CZ3 4.38Å; I43-W229 HydrophobicContact CG2-CH2 4.29Å; I43-W229 HydrophobicContact CG2-CZ2 4.41Å; E48-W229 WeakPolarHBondContact O-CZ3 3.23Å; L50-W229 HydrophobicContact CD1-CE3 4.03Å; L50-W229 HydrophobicContact CD1-CZ3 4.46Å; L50-W229 WeakPolarHBondContact CD1-O 3.45Å; L50-W229 HydrophobicContact CD2-CD2 4.45Å; L50-W229 HydrophobicContact CD2-CE3 3.73Å; L50-W229 HydrophobicContact CD2-CZ3 4.16Å; L50-W229 HydrophobicContact CG-CE3 4Å; L50-W229 HydrophobicContact CG-CZ3 4.15Å; M108-W229 HydrophobicContact CE-CB 3.83Å; M108-W229 HydrophobicContact CE-CG 4.08Å; M108-W229 HydrophobicContact SD-CB 4.34Å; G225-W229 WeakPolarHBondContact O-CB 3.5Å; G225-W229 VanDerWaalsContact O-CD1 3.25Å; G225-W229 PolarHBondContact O-N 2.85Å; W229-R232 WeakPolarHBondContact O-CB 3.34Å; W229-R232 PolarHBondContact O-N 2.79Å; W229-F233 PolarHBondContact O-N 2.66Å; W229-D357 HydrophobicContact CZ2-CB 4.08Å; W229-D357 PolarHBondContact NE1-OD1 3.04Å; W229-P358 HydrophobicContact CG-CG 4.31Å; W229-Y359 AromaticContact CD1-CD2 3.85Å; W229-Y359 AromaticContact CD1-CE2 3.29Å; W229-Y359 AromaticContact CD1-CZ 3.85Å; W229-Y359 HydrophobicContact CG-CE2 4.46Å; W229-Y359 AromaticContact NE1-CD2 3.59Å; W229-Y359 AromaticContact NE1-CE2 3.49Å
230	M	98.9	Very high	98.4	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-72.1	-33.1	175.6	-70.2	-57	-54.7	0	0	112.8	V41 Y95 L106 M108 I198 D226 D227 L228 R232 F233 L234	V41-M230 HydrophobicContact CB-SD 4.01Å; V41-M230 HydrophobicContact CG1-SD 4.06Å; V41-M230 HydrophobicContact CG2-CE 4.14Å; V41-M230 HydrophobicContact CG2-SD 4.3Å; Y95-M230 HydrophobicContact CD2-CB 4.4Å; Y95-M230 HydrophobicContact CD2-CE 4.28Å; Y95-M230 HydrophobicContact CD2-CG 3.81Å; Y95-M230 HydrophobicContact CE2-CB 4.15Å; Y95-M230 HydrophobicContact CE2-CG 3.45Å; Y95-M230 VanDerWaalsContact CE2-CG 3.45Å; L106-M230 HydrophobicContact CB-CE 3.58Å; L106-M230 HydrophobicContact CD1-CE 3.7Å; L106-M230 HydrophobicContact CG-CE 4.27Å; M108-M230 HydrophobicContact CB-CG 4.12Å; M108-M230 HydrophobicContact CB-SD 4.05Å; M108-M230 HydrophobicContact SD-CG 4.36Å; M108-M230 HydrophobicContact SD-SD 3.94Å; I198-M230 HydrophobicContact CD1-CB 3.92Å; D226-M230 WeakPolarHBondContact O-CG 3.33Å; D226-M230 PolarHBondContact O-N 2.89Å; D227-M230 PolarHBondContact O-N 2.94Å; L228-M230 VanDerWaalsContact C-N 3.29Å; L228-M230 PolarHBondContact O-N 3.05Å; M230-R232 VanDerWaalsContact C-N 3.33Å; M230-R232 PolarHBondContact O-N 3.08Å; M230-F233 HydrophobicContact CE-CB 4.42Å; M230-F233 HydrophobicContact CE-CD1 3.93Å; M230-F233 HydrophobicContact CE-CG 4.42Å; M230-F233 WeakPolarHBondContact O-CB 3.46Å; M230-F233 PolarHBondContact O-N 3.25Å; M230-L234 WeakPolarHBondContact O-CG 3.21Å; M230-L234 PolarHBondContact O-N 3.24Å
231	A	98.9	Very high	98.3	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-63.5	-40.6	172.1	0	0	0	0	0	111.2	H189 I198 F214 V216 D227 L228 L234 L235	H189-A231 PolarHBondContact NE2-O 2.75Å; I198-A231 HydrophobicContact CD1-CB 4.26Å; I198-A231 HydrophobicContact CG2-CB 4.22Å; F214-A231 HydrophobicContact CD2-CB 4.44Å; F214-A231 HydrophobicContact CE2-CB 3.53Å; F214-A231 HydrophobicContact CZ-CB 3.87Å; V216-A231 HydrophobicContact CG2-CB 4.17Å; D227-A231 WeakPolarHBondContact O-CB 3.28Å; D227-A231 PolarHBondContact O-N 3.43Å; L228-A231 PolarHBondContact O-N 3.24Å; A231-L234 PolarHBondContact O-N 3Å; A231-L235 PolarHBondContact O-N 3.29Å
232	R	98.9	Very high	98.3	Very high	2 Å²	2	23 Å²	23	1%	0.008	11%	0.11	C	C	.	.	H	α-helix	trans	-63.2	-43.5	172.8	-70.1	169.9	176.9	178.3	-3.2	111.6	L50 L228 W229 M230 L234 L235 H236 L248 S354 C356	L50-R232 HydrophobicContact CD1-CB 4.25Å; L228-R232 WeakPolarHBondContact O-CG 3.47Å; L228-R232 PolarHBondContact O-N 2.89Å; W229-R232 WeakPolarHBondContact O-CB 3.34Å; W229-R232 PolarHBondContact O-N 2.79Å; M230-R232 VanDerWaalsContact C-N 3.33Å; M230-R232 PolarHBondContact O-N 3.08Å; R232-L234 VanDerWaalsContact C-N 3.33Å; R232-L234 PolarHBondContact O-N 3Å; R232-L235 WeakPolarHBondContact O-CB 3.4Å; R232-L235 PolarHBondContact O-N 3.23Å; R232-L235 VanDerWaalsContact O-N 3.16Å; R232-H236 PolarHBondContact O-CD2 3.18Å; R232-H236 PolarHBondContact O-N 2.89Å; R232-L248 HydrophobicContact CG-CD1 4.03Å; R232-S354 PolarHBondContact NH2-O 3.03Å; R232-C356 VanDerWaalsContact CZ-O 3.29Å; R232-C356 PolarHBondContact NH1-O 3.14Å; R232-C356 PolarHBondContact NH2-O 2.92Å
233	F	98.9	Very high	98.2	Very high	9 Å²	9	21.7 Å²	21.7	4%	0.039	10%	0.103	C	C	.	.	H	α-helix	trans	-54.4	-49.6	173.7	178.8	-108.2	0	0	0	111.6	T39 V41 L50 C52 F99 L106 W229 M230 L235 H236 R237	T39-F233 HydrophobicContact CG2-CZ 4.33Å; V41-F233 HydrophobicContact CG1-CB 4.3Å; V41-F233 HydrophobicContact CG1-CD2 3.68Å; V41-F233 HydrophobicContact CG1-CE2 4.14Å; V41-F233 HydrophobicContact CG1-CG 3.96Å; V41-F233 HydrophobicContact CG2-CD1 4.16Å; V41-F233 HydrophobicContact CG2-CD2 4.14Å; V41-F233 HydrophobicContact CG2-CE1 3.94Å; V41-F233 HydrophobicContact CG2-CE2 3.93Å; V41-F233 HydrophobicContact CG2-CG 4.24Å; V41-F233 HydrophobicContact CG2-CZ 3.82Å; L50-F233 HydrophobicContact CD1-CB 3.8Å; C52-F233 HydrophobicContact CB-CE2 3.77Å; C52-F233 HydrophobicContact CB-CZ 4.03Å; F99-F233 HydrophobicContact CE2-CE1 4.44Å; L106-F233 HydrophobicContact CD1-CD1 4.08Å; L106-F233 HydrophobicContact CD1-CE1 3.98Å; L106-F233 HydrophobicContact CD2-CE1 4.07Å; W229-F233 PolarHBondContact O-N 2.66Å; M230-F233 HydrophobicContact CE-CB 4.42Å; M230-F233 HydrophobicContact CE-CD1 3.93Å; M230-F233 HydrophobicContact CE-CG 4.42Å; M230-F233 WeakPolarHBondContact O-CB 3.46Å; M230-F233 PolarHBondContact O-N 3.25Å; F233-L235 VanDerWaalsContact C-N 3.33Å; F233-L235 PolarHBondContact O-N 3.24Å; F233-H236 PolarHBondContact O-N 2.86Å; F233-R237 HydrophobicContact CD1-CG 4.2Å; F233-R237 HydrophobicContact CD2-CG 4.09Å; F233-R237 HydrophobicContact CE1-CG 3.79Å; F233-R237 HydrophobicContact CE2-CG 3.66Å; F233-R237 HydrophobicContact CG-CG 4.35Å; F233-R237 HydrophobicContact CZ-CG 3.51Å; F233-R237 WeakPolarHBondContact O-CB 3.21Å; F233-R237 WeakPolarHBondContact O-CG 3.11Å; F233-R237 PolarHBondContact O-N 3.03Å
234	L	98.9	Very high	98.1	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-62	-40.8	178.4	-65.7	-174.8	0	0	0	111.6	P98 F99 L106 A192 A196 I198 M230 A231 R232 H236 R237 I238	P98-L234 HydrophobicContact CG-CD1 4.35Å; P98-L234 HydrophobicContact CG-CD2 3.64Å; F99-L234 HydrophobicContact CE2-CD2 3.43Å; F99-L234 VanDerWaalsContact CE2-CD2 3.43Å; F99-L234 HydrophobicContact CZ-CD2 3.71Å; L106-L234 HydrophobicContact CD1-CD2 3.7Å; A192-L234 HydrophobicContact CB-CD1 4.21Å; A196-L234 HydrophobicContact CB-CD1 4.03Å; I198-L234 HydrophobicContact CD1-CD1 3.69Å; I198-L234 HydrophobicContact CD1-CG 4.44Å; M230-L234 WeakPolarHBondContact O-CG 3.21Å; M230-L234 PolarHBondContact O-N 3.24Å; A231-L234 PolarHBondContact O-N 3Å; R232-L234 VanDerWaalsContact C-N 3.33Å; R232-L234 PolarHBondContact O-N 3Å; L234-H236 PolarHBondContact O-N 2.93Å; L234-R237 PolarHBondContact O-N 2.93Å; L234-I238 WeakPolarHBondContact O-CB 3.27Å; L234-I238 WeakPolarHBondContact O-CD1 3.49Å; L234-I238 WeakPolarHBondContact O-CG1 3.04Å; L234-I238 PolarHBondContact O-N 3.06Å
235	L	98.9	Very high	98	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-58.6	-48.9	176.5	174.8	64.2	0	0	0	111	Y147 F149 H189 F214 A231 R232 F233 S239	Y147-L235 HydrophobicContact CD1-CD2 4.08Å; Y147-L235 HydrophobicContact CD2-CD1 4.15Å; Y147-L235 HydrophobicContact CD2-CD2 3.71Å; Y147-L235 HydrophobicContact CE1-CD2 4.38Å; Y147-L235 HydrophobicContact CE2-CD1 3.64Å; Y147-L235 HydrophobicContact CE2-CD2 4Å; Y147-L235 HydrophobicContact CE2-CG 4.46Å; Y147-L235 HydrophobicContact CG-CD2 3.74Å; F149-L235 HydrophobicContact CE1-CD1 4.02Å; F149-L235 HydrophobicContact CZ-CD1 4.34Å; H189-L235 PolarHBondContact CD2-N 3.39Å; H189-L235 VanDerWaalsContact CD2-N 3.34Å; F214-L235 HydrophobicContact CE1-CD2 4.17Å; A231-L235 PolarHBondContact O-N 3.29Å; R232-L235 WeakPolarHBondContact O-CB 3.4Å; R232-L235 PolarHBondContact O-N 3.23Å; R232-L235 VanDerWaalsContact O-N 3.16Å; F233-L235 VanDerWaalsContact C-N 3.33Å; F233-L235 PolarHBondContact O-N 3.24Å; L235-S239 VanDerWaalsContact O-CB 3.29Å; L235-S239 WeakPolarHBondContact O-CB 3.44Å; L235-S239 PolarHBondContact O-N 3.37Å; L235-S239 PolarHBondContact O-OG 2.66Å
236	H	98.8	Very high	98	Very high	65 Å²	65	23.6 Å²	23.6	30%	0.301	11%	0.113	S	C	.	.	H	α-helix	trans	-65.5	-44	179.6	-67.4	-59.2	0	0	0	112.1	R232 F233 L234 I238 S239 E240 S246	R232-H236 PolarHBondContact O-CD2 3.18Å; R232-H236 PolarHBondContact O-N 2.89Å; F233-H236 PolarHBondContact O-N 2.86Å; L234-H236 PolarHBondContact O-N 2.93Å; H236-I238 PolarHBondContact O-N 2.57Å; H236-S239 WeakPolarHBondContact O-CB 3.43Å; H236-S239 PolarHBondContact O-N 2.82Å; H236-E240 WeakPolarHBondContact O-CB 3.48Å; H236-E240 PolarHBondContact O-N 2.75Å; H236-S246 PolarHBondContact CE1-O 3.04Å
237	R	98.6	Very high	97.9	Very high	50 Å²	50	24.4 Å²	24.4	19%	0.189	12%	0.119	C	C	.	.	H	α-helix	trans	-65.5	-37.8	179.1	-70.3	-70.2	-75.2	119.5	3.7	112.7	F99 F233 L234 E240 E241	F99-R237 HydrophobicContact CE1-CB 3.96Å; F99-R237 HydrophobicContact CE2-CB 3.95Å; F99-R237 HydrophobicContact CE2-CG 4.4Å; F99-R237 HydrophobicContact CZ-CB 3.39Å; F99-R237 HydrophobicContact CZ-CG 4.3Å; F233-R237 HydrophobicContact CD1-CG 4.2Å; F233-R237 HydrophobicContact CD2-CG 4.09Å; F233-R237 HydrophobicContact CE1-CG 3.79Å; F233-R237 HydrophobicContact CE2-CG 3.66Å; F233-R237 HydrophobicContact CG-CG 4.35Å; F233-R237 HydrophobicContact CZ-CG 3.51Å; F233-R237 WeakPolarHBondContact O-CB 3.21Å; F233-R237 WeakPolarHBondContact O-CG 3.11Å; F233-R237 PolarHBondContact O-N 3.03Å; L234-R237 PolarHBondContact O-N 2.93Å; R237-E240 IonicContact CZ-OE2 3.6Å; R237-E240 IonicContact NH1-OE1 2.72Å; R237-E240 PolarHBondContact NH1-OE1 2.88Å; R237-E240 IonicContact NH1-OE2 3.55Å; R237-E240 PolarHBondContact NH1-OE2 3.1Å; R237-E240 WeakPolarHBondContact O-CB 3.35Å; R237-E240 PolarHBondContact O-N 3.41Å; R237-E241 PolarHBondContact O-N 2.91Å
238	I	98.7	Very high	97.9	Very high	6 Å²	6	24.8 Å²	24.8	3%	0.031	12%	0.121	C	C	.	.	H	α-helix	trans	-70.2	-43.5	174.5	-66.2	168.1	0	0	0	109.7	F99 I185 A188 H189 A192 L234 H236 E240 E241 F242	F99-I238 HydrophobicContact CE1-CG1 3.76Å; F99-I238 HydrophobicContact CZ-CG1 4.06Å; I185-I238 HydrophobicContact CG2-CG2 3.93Å; A188-I238 HydrophobicContact CB-CG2 4.08Å; H189-I238 VanDerWaalsContact CA-CD1 3.44Å; H189-I238 HydrophobicContact CB-CD1 3.99Å; A192-I238 HydrophobicContact CB-CD1 3.7Å; L234-I238 WeakPolarHBondContact O-CB 3.27Å; L234-I238 WeakPolarHBondContact O-CD1 3.49Å; L234-I238 WeakPolarHBondContact O-CG1 3.04Å; L234-I238 PolarHBondContact O-N 3.06Å; H236-I238 PolarHBondContact O-N 2.57Å; I238-E240 PolarHBondContact O-N 2.68Å; I238-E241 WeakPolarHBondContact O-CB 3.2Å; I238-E241 PolarHBondContact O-N 3.21Å; I238-F242 HydrophobicContact CG2-CD2 3.84Å; I238-F242 HydrophobicContact CG2-CE2 3.79Å; I238-F242 WeakPolarHBondContact O-CD2 3.36Å; I238-F242 PolarHBondContact O-N 3.42Å; I238-F242 VanDerWaalsContact O-N 3.12Å
239	S	98	Very high	97.9	Very high	2 Å²	2	27 Å²	27	1%	0.014	13%	0.132	C	C	.	.	H	α-helix	trans	-56.2	-40.2	174.9	-59.5	0	0	0	0	112	L235 H236 E241 F242 G243 I244 S246	L235-S239 VanDerWaalsContact O-CB 3.29Å; L235-S239 WeakPolarHBondContact O-CB 3.44Å; L235-S239 PolarHBondContact O-N 3.37Å; L235-S239 PolarHBondContact O-OG 2.66Å; H236-S239 WeakPolarHBondContact O-CB 3.43Å; H236-S239 PolarHBondContact O-N 2.82Å; S239-E241 PolarHBondContact O-N 2.83Å; S239-F242 CarbonylContact O-C 3.43Å; S239-F242 PolarHBondContact O-N 3.19Å; S239-G243 PolarHBondContact O-N 3.06Å; S239-I244 CarbonylContact C-O 3.52Å; S239-I244 PolarHBondContact O-N 3.19Å; S239-S246 PolarHBondContact OG-OG 3.08Å
240	E	96.8	Very high	97.9	Very high	89 Å²	89	26.9 Å²	26.9	42%	0.416	13%	0.132	S	C	.	.	H	α-helix	trans	-58.8	-42.4	174.3	-175.2	-160.9	123.5	0	0	112.1	N15 H236 R237 I238 G243	N15-E240 WeakPolarHBondContact CB-O 3.4Å; N15-E240 WeakPolarHBondContact ND2-CG 3.41Å; N15-E240 PolarHBondContact ND2-O 3.35Å; H236-E240 WeakPolarHBondContact O-CB 3.48Å; H236-E240 PolarHBondContact O-N 2.75Å; R237-E240 IonicContact CZ-OE2 3.6Å; R237-E240 IonicContact NH1-OE1 2.72Å; R237-E240 PolarHBondContact NH1-OE1 2.88Å; R237-E240 IonicContact NH1-OE2 3.55Å; R237-E240 PolarHBondContact NH1-OE2 3.1Å; R237-E240 WeakPolarHBondContact O-CB 3.35Å; R237-E240 PolarHBondContact O-N 3.41Å; I238-E240 PolarHBondContact O-N 2.68Å; E240-G243 PolarHBondContact O-N 3.29Å; E240-G243 VanDerWaalsContact O-N 3.16Å
241	E	95	Very high	97.9	Very high	88 Å²	88	28 Å²	28	41%	0.411	14%	0.137	S	C	.	.	H	α-helix	trans	-65.2	-41.6	177.8	-70.8	-173.3	156.1	0	0	112.3	K20 R237 I238 S239 G243	K20-E241 WeakPolarHBondContact CE-O 3.49Å; K20-E241 PolarHBondContact NZ-O 3.16Å; K20-E241 VanDerWaalsContact NZ-O 3.13Å; R237-E241 PolarHBondContact O-N 2.91Å; I238-E241 WeakPolarHBondContact O-CB 3.2Å; I238-E241 PolarHBondContact O-N 3.21Å; S239-E241 PolarHBondContact O-N 2.83Å; E241-G243 PolarHBondContact O-N 3.3Å
242	F	95	Very high	97.7	Very high	78 Å²	78	29.4 Å²	29.4	34%	0.342	15%	0.146	S	C	.	.	H	α-helix	trans	-76	-10	174.4	-76.3	-88.5	0	0	0	113.3	D184 I185 A188 I238 S239 I244	D184-F242 HydrophobicContact CB-CE1 4.37Å; I185-F242 HydrophobicContact CB-CD2 4.5Å; I185-F242 HydrophobicContact CD1-CB 3.68Å; I185-F242 HydrophobicContact CD1-CD1 4.12Å; I185-F242 HydrophobicContact CD1-CD2 4.2Å; I185-F242 HydrophobicContact CD1-CG 3.75Å; I185-F242 HydrophobicContact CG1-CB 4.19Å; I185-F242 HydrophobicContact CG1-CD1 3.85Å; I185-F242 HydrophobicContact CG1-CD2 3.79Å; I185-F242 HydrophobicContact CG1-CE1 4.12Å; I185-F242 HydrophobicContact CG1-CE2 4.08Å; I185-F242 HydrophobicContact CG1-CG 3.67Å; I185-F242 HydrophobicContact CG1-CZ 4.24Å; I185-F242 HydrophobicContact CG2-CD2 4.39Å; A188-F242 HydrophobicContact CB-CE2 4.38Å; I238-F242 HydrophobicContact CG2-CD2 3.84Å; I238-F242 HydrophobicContact CG2-CE2 3.79Å; I238-F242 WeakPolarHBondContact O-CD2 3.36Å; I238-F242 PolarHBondContact O-N 3.42Å; I238-F242 VanDerWaalsContact O-N 3.12Å; S239-F242 CarbonylContact O-C 3.43Å; S239-F242 PolarHBondContact O-N 3.19Å; F242-I244 HydrophobicContact CB-CG1 4.35Å
243	G	95.5	Very high	97.5	Very high	2 Å²	2	30.7 Å²	30.7	2%	0.021	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	24.9	176.4	0	0	0	0	0	114.5	S13 S239 E240 E241	S13-G243 WeakPolarHBondContact CB-O 3.39Å; S13-G243 VanDerWaalsContact OG-C 3.31Å; S13-G243 WeakPolarHBondContact OG-CA 3.25Å; S13-G243 PolarHBondContact OG-O 3.36Å; S239-G243 PolarHBondContact O-N 3.06Å; E240-G243 PolarHBondContact O-N 3.29Å; E240-G243 VanDerWaalsContact O-N 3.16Å; E241-G243 PolarHBondContact O-N 3.3Å
244	I	96	Very high	97.2	Very high	12 Å²	12	35.1 Å²	35.1	6%	0.062	18%	0.182	C	C	.	.			trans	-113.7	172.3	176.4	61.4	153.6	0	0	0	110.9	L10 F149 L150 L157 I185 S239 F242	L10-I244 HydrophobicContact CD2-CG2 3.3Å; F149-I244 HydrophobicContact CB-CD1 3.89Å; F149-I244 HydrophobicContact CD1-CD1 3.18Å; F149-I244 HydrophobicContact CD1-CG1 4.47Å; F149-I244 HydrophobicContact CD2-CD1 4.42Å; F149-I244 HydrophobicContact CE1-CD1 3.65Å; F149-I244 HydrophobicContact CG-CD1 3.6Å; F149-I244 HydrophobicContact CZ-CD1 4.43Å; L150-I244 WeakPolarHBondContact O-CB 3.3Å; L157-I244 HydrophobicContact CD1-CG2 3.86Å; L157-I244 HydrophobicContact CD2-CD1 4.05Å; L157-I244 HydrophobicContact CD2-CG2 4Å; I185-I244 HydrophobicContact CD1-CD1 3.17Å; I185-I244 HydrophobicContact CD1-CG1 3.72Å; S239-I244 CarbonylContact C-O 3.52Å; S239-I244 PolarHBondContact O-N 3.19Å; F242-I244 HydrophobicContact CB-CG1 4.35Å
245	V	97.3	Very high	96.9	Very high	57 Å²	57	37.6 Å²	37.6	35%	0.345	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	133.2	175.6	179	0	0	0	0	109.3	F149 L150 F152	F149-V245 CarbonylContact C-O 3.54Å; F149-V245 WeakPolarHBondContact CA-O 3.27Å; L150-V245 HydrophobicContact CB-CB 4.25Å; L150-V245 PolarHBondContact N-O 2.92Å; L150-V245 PolarHBondContact O-N 3.18Å; F152-V245 HydrophobicContact CD2-CG2 4.21Å
246	S	98.2	Very high	96.7	Very high	8 Å²	8	43.3 Å²	43.3	6%	0.056	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	122.1	165.9	-75.1	0	0	0	0	109	F149 H236 S239	F149-S246 VanDerWaalsContact CD1-OG 3.27Å; F149-S246 WeakPolarHBondContact CD1-OG 3.16Å; F149-S246 WeakPolarHBondContact CE1-OG 3.4Å; H236-S246 PolarHBondContact CE1-O 3.04Å; S239-S246 PolarHBondContact OG-OG 3.08Å
247	T	98.6	Very high	96.6	Very high	28 Å²	28	41.2 Å²	41.2	17%	0.172	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	138.2	174.3	-174.8	0	0	0	0	111.3	Y147 T148 L150 D249 P252	Y147-T247 WeakPolarHBondContact CB-O 3.44Å; T148-T247 PolarHBondContact N-O 2.7Å; T148-T247 VanDerWaalsContact N-O 3.08Å; T148-T247 WeakPolarHBondContact O-CG2 3.4Å; T148-T247 PolarHBondContact O-N 2.95Å; L150-T247 HydrophobicContact CD1-CG2 3.75Å; L150-T247 HydrophobicContact CD2-CG2 4.14Å; L150-T247 HydrophobicContact CG-CG2 3.89Å; T247-D249 WeakPolarHBondContact OG1-CB 3.41Å; T247-D249 PolarHBondContact OG1-N 2.96Å; T247-D249 VanDerWaalsContact OG1-N 3.09Å; T247-P252 HydrophobicContact CG2-CB 4.02Å
248	L	98.8	Very high	96.5	Very high	22 Å²	22	39.6 Å²	39.6	12%	0.115	22%	0.223	C	C	.	.			trans	-100.6	11.1	170	-53.5	-173.8	0	0	0	111.6	R232 S354 N355	R232-L248 HydrophobicContact CG-CD1 4.03Å; L248-S354 CarbonylContact O-C 3.6Å; L248-S354 WeakPolarHBondContact O-CB 3.31Å; L248-S354 PolarHBondContact O-OG 2.95Å; L248-N355 HydrophobicContact CB-CB 4.19Å; L248-N355 WeakPolarHBondContact O-CB 3.09Å; L248-N355 PolarHBondContact O-N 3.16Å; L248-N355 VanDerWaalsContact O-N 3.11Å
249	D	98.6	Very high	96.5	Very high	45 Å²	45	39.7 Å²	39.7	24%	0.241	23%	0.225	C	C	.	.			trans	-59.1	132.7	176.3	-176.1	-82.2	0	0	0	110.8	T247 K251 P252 R308	T247-D249 WeakPolarHBondContact OG1-CB 3.41Å; T247-D249 PolarHBondContact OG1-N 2.96Å; T247-D249 VanDerWaalsContact OG1-N 3.09Å; D249-K251 PolarHBondContact O-N 3.32Å; D249-K251 WeakPolarHBondContact OD1-CA 3.3Å; D249-K251 PolarHBondContact OD1-N 3.43Å; D249-K251 VanDerWaalsContact OD1-O 3.1Å; D249-P252 WeakPolarHBondContact O-CD 3.48Å; D249-R308 IonicContact OD1-CZ 2.64Å; D249-R308 IonicContact OD1-NH1 2.85Å; D249-R308 PolarHBondContact OD1-NH1 2.87Å; D249-R308 IonicContact OD1-NH2 3.39Å; D249-R308 IonicContact OD2-CZ 2.99Å; D249-R308 IonicContact OD2-NH1 3.42Å; D249-R308 PolarHBondContact OD2-NH1 3.16Å; D249-R308 VanDerWaalsContact OD2-NH1 3.17Å; D249-R308 IonicContact OD2-NH2 3.97Å; D249-R308 PolarHBondContact OD2-NH2 3.1Å
250	P	98.4	Very high	96.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.225	C	C	.	.	S	Bend	trans	-71.2	-12.3	-175.1	25.1	-33.8	0	0	0	115	G259 A260 D305 R309 S353 S354	P250-G259 CarbonylContact O-C 3.25Å; P250-G259 WeakPolarHBondContact O-CA 3.39Å; P250-A260 WeakPolarHBondContact CA-O 3.18Å; P250-A260 PolarHBondContact O-N 3.4Å; P250-D305 HydrophobicContact CG-CB 3.89Å; P250-R309 HydrophobicContact CB-CB 4.04Å; P250-R309 WeakPolarHBondContact O-CD 3.41Å; P250-S353 WeakPolarHBondContact CB-OG 3.44Å; P250-S353 VanDerWaalsContact CG-OG 3.3Å; P250-S353 WeakPolarHBondContact CG-OG 3.39Å; P250-S354 WeakPolarHBondContact CA-OG 3.21Å
251	K	98.1	Very high	96.6	Very high	26 Å²	26	35.4 Å²	35.4	11%	0.113	21%	0.205	C	C	.	.			trans	-147.7	72	177.9	-168.2	67.1	173.5	-176.2	0	109.4	D249 M253 G255 W257 R308	D249-K251 PolarHBondContact O-N 3.32Å; D249-K251 WeakPolarHBondContact OD1-CA 3.3Å; D249-K251 PolarHBondContact OD1-N 3.43Å; D249-K251 VanDerWaalsContact OD1-O 3.1Å; K251-M253 VanDerWaalsContact CE-O 3.27Å; K251-M253 WeakPolarHBondContact CE-O 3.29Å; K251-M253 PolarHBondContact O-N 3.47Å; K251-G255 PolarHBondContact NZ-O 3.22Å; K251-W257 PolarHBondContact NZ-O 3.49Å; K251-R308 HydrophobicContact CB-CB 3.76Å; K251-R308 HydrophobicContact CG-CB 4.2Å; K251-R308 PolarHBondContact O-NH1 3.31Å
252	P	96.1	Very high	96.8	Very high	29 Å²	29	31.2 Å²	31.2	19%	0.188	19%	0.185	C	C	.	.	S	Bend	trans	-67.6	-28.9	-172.5	27.6	-33.3	0	0	0	111.7	T148 M208 T247 D249	T148-P252 HydrophobicContact CG2-CG 4.43Å; M208-P252 HydrophobicContact SD-CG 4.37Å; T247-P252 HydrophobicContact CG2-CB 4.02Å; D249-P252 WeakPolarHBondContact O-CD 3.48Å
253	M	95.2	Very high	96.9	Very high	29 Å²	29	28.1 Å²	28.1	14%	0.143	17%	0.172	C	C	.	.	S	Bend	trans	-121.1	129.6	173.3	-66.3	-54.2	-63.2	0	0	111.6	P156 W159 F164 M208 K251 W257	P156-M253 HydrophobicContact CG-CG 3.58Å; P156-M253 HydrophobicContact CG-SD 3.51Å; P156-M253 VanDerWaalsContact CG-SD 3.51Å; W159-M253 HydrophobicContact CH2-CG 4.08Å; W159-M253 HydrophobicContact CZ3-CE 4.13Å; W159-M253 HydrophobicContact CZ3-CG 4.27Å; F164-M253 HydrophobicContact CE1-CE 4.38Å; M208-M253 HydrophobicContact CE-CB 4.08Å; M208-M253 HydrophobicContact CE-CG 3.41Å; M208-M253 VanDerWaalsContact CE-CG 3.41Å; M208-M253 HydrophobicContact SD-CB 4.38Å; M208-M253 HydrophobicContact SD-CG 4.33Å; K251-M253 VanDerWaalsContact CE-O 3.27Å; K251-M253 WeakPolarHBondContact CE-O 3.29Å; K251-M253 PolarHBondContact O-N 3.47Å; M253-W257 HydrophobicContact CB-CB 4.19Å; M253-W257 HydrophobicContact CB-CG 4.3Å
254	P	92.4	Very high	97.1	Very high	101 Å²	101	28 Å²	28	66%	0.656	17%	0.171	S	C	*	.			trans	-71.4	159.9	173	30.7	-34.8	0	0	0	111.4
255	G	92.3	Very high	97.2	Very high	53 Å²	53	28.6 Å²	28.6	55%	0.546	17%	0.174	S	C	.	.	S	Bend	trans	89.2	-150	177.1	0	0	0	0	0	114	K251 W257	K251-G255 PolarHBondContact NZ-O 3.22Å; G255-W257 PolarHBondContact O-N 2.99Å
256	D	94.4	Very high	97.3	Very high	119 Å²	119	25.9 Å²	25.9	64%	0.636	16%	0.158	S	C	*	.	S	Bend	trans	-81.3	50	-172.6	-167.8	23.3	0	0	0	112.7	H314	D256-H314 IonicContact OD1-CE1 3.34Å; D256-H314 PolarHBondContact OD1-CE1 2.99Å; D256-H314 IonicContact OD1-ND1 2.73Å; D256-H314 IonicContact OD1-NE2 3.76Å
257	W	96.2	Very high	97.3	Very high	22 Å²	22	26 Å²	26	8%	0.083	16%	0.158	C	C	.	.	S	Bend	trans	-125.5	144.4	175.1	-61.4	105.5	0	0	0	108.7	W159 F164 P165 Q168 M208 P209 K251 M253 G255	W159-W257 AromaticContact CH2-CD2 3.52Å; W159-W257 HydrophobicContact CH2-CD2 3.52Å; W159-W257 AromaticContact CH2-CE2 3.51Å; W159-W257 AromaticContact CH2-CE3 3.85Å; W159-W257 HydrophobicContact CH2-CE3 3.85Å; W159-W257 AromaticContact CH2-CG 3.97Å; W159-W257 HydrophobicContact CH2-CG 3.97Å; W159-W257 HydrophobicContact CH2-CH2 4.2Å; W159-W257 AromaticContact CH2-CZ2 3.89Å; W159-W257 HydrophobicContact CH2-CZ2 3.89Å; W159-W257 HydrophobicContact CH2-CZ3 4.17Å; W159-W257 AromaticContact CH2-NE1 3.86Å; W159-W257 HydrophobicContact CZ2-CD2 4.17Å; W159-W257 HydrophobicContact CZ2-CE3 4.03Å; W159-W257 HydrophobicContact CZ2-CH2 4.48Å; W159-W257 HydrophobicContact CZ2-CZ3 4.18Å; W159-W257 HydrophobicContact CZ3-CD2 4.47Å; W159-W257 HydrophobicContact CZ3-CZ2 4.27Å; F164-W257 HydrophobicContact CB-CZ2 4.03Å; F164-W257 AromaticContact CD1-CE2 3.96Å; F164-W257 AromaticContact CD1-CZ2 3.87Å; F164-W257 HydrophobicContact CD1-CZ2 3.87Å; F164-W257 AromaticContact CD1-NE1 3.55Å; F164-W257 AromaticContact CE1-NE1 3.77Å; F164-W257 HydrophobicContact CG-CZ2 4.33Å; P165-W257 HydrophobicContact CG-CH2 3.82Å; P165-W257 HydrophobicContact CG-CZ3 4.29Å; Q168-W257 HydrophobicContact CG-CE3 3.45Å; Q168-W257 VanDerWaalsContact CG-CE3 3.45Å; Q168-W257 HydrophobicContact CG-CZ3 3.52Å; M208-W257 HydrophobicContact CG-CB 4.46Å; M208-W257 HydrophobicContact CG-CE3 4.17Å; M208-W257 HydrophobicContact SD-CB 4.14Å; P209-W257 HydrophobicContact CG-CZ3 4.03Å; K251-W257 PolarHBondContact NZ-O 3.49Å; M253-W257 HydrophobicContact CB-CB 4.19Å; M253-W257 HydrophobicContact CB-CG 4.3Å; G255-W257 PolarHBondContact O-N 2.99Å
258	N	97.1	Very high	97.4	Very high	16 Å²	16	25 Å²	25	9%	0.086	15%	0.152	C	C	.	.			trans	-59.5	149.7	178.5	-87	44.6	0	0	0	111.2	Q168 V207 M208	Q168-N258 PolarHBondContact NE2-OD1 3.03Å; V207-N258 HydrophobicContact CB-CB 4.22Å; V207-N258 HydrophobicContact CG1-CB 4.49Å; V207-N258 WeakPolarHBondContact CG1-OD1 3.46Å; M208-N258 HydrophobicContact CB-CB 4.37Å
259	G	97.6	Very high	97.4	Very high	8 Å²	8	28.1 Å²	28.1	8%	0.082	17%	0.165	C	C	.	.			trans	-87.1	-179.7	165.3	0	0	0	0	0	110.7	Q211 P250	Q211-G259 PolarHBondContact NE2-O 3.49Å; P250-G259 CarbonylContact O-C 3.25Å; P250-G259 WeakPolarHBondContact O-CA 3.39Å
260	A	98.6	Very high	97.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	17%	0.165	C	C	.	.			trans	-113.6	127.1	178	0	0	0	0	0	111.4	E146 P250 R309 S354	E146-A260 HydrophobicContact CB-CB 4.03Å; E146-A260 WeakPolarHBondContact OE2-CA 3.29Å; P250-A260 WeakPolarHBondContact CA-O 3.18Å; P250-A260 PolarHBondContact O-N 3.4Å; A260-R309 WeakPolarHBondContact O-CD 3.39Å; A260-S354 VanDerWaalsContact CB-OG 3.26Å; A260-S354 WeakPolarHBondContact CB-OG 3.43Å; A260-S354 WeakPolarHBondContact O-CB 3.3Å; A260-S354 PolarHBondContact O-N 3.24Å; A260-S354 PolarHBondContact O-OG 3.32Å
261	G	98.6	Very high	97.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-108.6	173.1	178.1	0	0	0	0	0	114.4	E146	E146-G261 WeakPolarHBondContact CB-O 3.44Å; E146-G261 PolarHBondContact N-O 3.17Å; E146-G261 PolarHBondContact OE2-N 2.59Å
262	A	98.8	Very high	97.4	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	61.4	166.3	0	0	0	0	0	110.1	I143 E144 T264 P352 S353	I143-A262 HydrophobicContact CG2-CB 4.1Å; E144-A262 CarbonylContact O-C 3.49Å; E144-A262 WeakPolarHBondContact O-CA 3.42Å; A262-T264 PolarHBondContact O-N 3.04Å; A262-T264 PolarHBondContact O-OG1 3.02Å; A262-T264 VanDerWaalsContact O-OG1 3.08Å; A262-P352 HydrophobicContact CB-CB 4.17Å; A262-P352 PolarHBondContact N-O 3Å; A262-P352 WeakPolarHBondContact O-CB 3.47Å; A262-S353 VanDerWaalsContact CB-O 3.25Å; A262-S353 WeakPolarHBondContact CB-O 3.28Å
263	H	98.8	Very high	97.5	Very high	13 Å²	13	32.6 Å²	32.6	6%	0.06	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	132.4	-172.1	-51.9	142.4	0	0	0	110.5	I143 E144 E146 E348 D349	I143-H263 CarbonylContact C-O 3.48Å; I143-H263 WeakPolarHBondContact CA-O 3.4Å; E144-H263 HydrophobicContact CB-CB 4.05Å; E144-H263 HydrophobicContact CG-CB 4.43Å; E144-H263 PolarHBondContact N-O 2.75Å; E144-H263 PolarHBondContact O-N 3.06Å; E144-H263 WeakPolarHBondContact OE2-CB 3.33Å; E144-H263 IonicContact OE2-CG 3.21Å; E144-H263 IonicContact OE2-ND1 2.88Å; E144-H263 PolarHBondContact OE2-ND1 3.46Å; E146-H263 IonicContact OE1-CE1 3.16Å; H263-E348 HydrophobicContact CB-CG 4.07Å; H263-D349 WeakPolarHBondContact CA-O 3.46Å
264	T	98.9	Very high	97.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	108.5	-171.6	-60.6	0	0	0	0	109.8	F141 G142 I143 A262 V266 D349 V361 I365	F141-T264 HydrophobicContact CD1-CG2 4.04Å; G142-T264 CarbonylContact O-C 3.41Å; I143-T264 HydrophobicContact CG1-CG2 4.12Å; A262-T264 PolarHBondContact O-N 3.04Å; A262-T264 PolarHBondContact O-OG1 3.02Å; A262-T264 VanDerWaalsContact O-OG1 3.08Å; T264-V266 HydrophobicContact CG2-CG2 3.91Å; T264-D349 PolarHBondContact N-O 2.83Å; T264-D349 PolarHBondContact O-N 3.11Å; T264-V361 HydrophobicContact CG2-CG1 4.17Å; T264-I365 HydrophobicContact CG2-CD1 3.92Å
265	N	98.9	Very high	98	Very high	24 Å²	24	34.7 Å²	34.7	13%	0.128	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	129.4	174.2	-62.6	-69.6	0	0	0	109.8	F141 G142 E144 Y346 F347 E348	F141-N265 CarbonylContact C-O 3.55Å; F141-N265 VanDerWaalsContact CA-O 3.25Å; F141-N265 WeakPolarHBondContact CA-O 3.41Å; G142-N265 PolarHBondContact N-O 2.97Å; G142-N265 WeakPolarHBondContact O-CB 3.46Å; G142-N265 PolarHBondContact O-N 2.79Å; G142-N265 PolarHBondContact O-ND2 3.24Å; E144-N265 PolarHBondContact OE1-ND2 3.31Å; N265-Y346 HydrophobicContact CB-CD2 3.85Å; N265-Y346 HydrophobicContact CB-CE2 4.04Å; N265-Y346 WeakPolarHBondContact OD1-CE2 3.27Å; N265-F347 CarbonylContact C-O 3.59Å; N265-F347 WeakPolarHBondContact CA-O 3.49Å; N265-E348 WeakPolarHBondContact OD1-CB 3.12Å
266	V	98.9	Very high	98.3	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	133.8	-171.3	-171.8	0	0	0	0	111.6	W140 F141 T264 Y346 F347 I365 I369	W140-V266 WeakPolarHBondContact O-CA 3.46Å; F141-V266 HydrophobicContact CD1-CG1 4.35Å; F141-V266 HydrophobicContact CD1-CG2 3.96Å; F141-V266 HydrophobicContact CE1-CG1 3.9Å; F141-V266 HydrophobicContact CE1-CG2 3.97Å; F141-V266 HydrophobicContact CZ-CG1 4.42Å; T264-V266 HydrophobicContact CG2-CG2 3.91Å; V266-Y346 VanDerWaalsContact O-CA 3.26Å; V266-Y346 WeakPolarHBondContact O-CA 3.2Å; V266-Y346 VanDerWaalsContact O-CB 3.23Å; V266-Y346 WeakPolarHBondContact O-CB 3.35Å; V266-F347 HydrophobicContact CB-CD1 4.44Å; V266-F347 HydrophobicContact CB-CE1 3.86Å; V266-F347 HydrophobicContact CB-CE2 3.96Å; V266-F347 HydrophobicContact CB-CZ 3.59Å; V266-F347 HydrophobicContact CG1-CE1 4.09Å; V266-F347 HydrophobicContact CG1-CZ 3.92Å; V266-F347 HydrophobicContact CG2-CE2 4.02Å; V266-F347 HydrophobicContact CG2-CZ 4.02Å; V266-F347 PolarHBondContact N-O 3.13Å; V266-F347 PolarHBondContact O-N 3.12Å; V266-I365 HydrophobicContact CG1-CG2 3.91Å; V266-I365 HydrophobicContact CG2-CD1 3.96Å; V266-I365 HydrophobicContact CG2-CG2 4.13Å; V266-I369 HydrophobicContact CG1-CD1 3.79Å
267	S	98.9	Very high	98.5	Very high	9 Å²	9	27.9 Å²	27.9	6%	0.063	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	149.5	166.8	62.3	0	0	0	0	112.2	P139 W140 R272 G345	P139-S267 CarbonylContact C-O 3.57Å; P139-S267 WeakPolarHBondContact CA-O 3.41Å; W140-S267 PolarHBondContact N-O 3.21Å; W140-S267 PolarHBondContact O-N 3.42Å; S267-R272 PolarHBondContact O-NH1 3.08Å; S267-R272 PolarHBondContact OG-NH1 2.79Å; S267-G345 WeakPolarHBondContact CB-O 3.47Å
268	T	98.9	Very high	98.6	Very high	7 Å²	7	35.1 Å²	35.1	4%	0.043	18%	0.178	C	C	.	.			trans	-101.7	171.6	160.6	65.3	0	0	0	0	109.8	E137 A270 M271 R272 I369	E137-T268 HydrophobicContact CB-CG2 4.08Å; E137-T268 CarbonylContact O-C 3.53Å; E137-T268 WeakPolarHBondContact O-CA 3.39Å; E137-T268 WeakPolarHBondContact O-CB 3.46Å; T268-A270 VanDerWaalsContact C-N 3.3Å; T268-A270 PolarHBondContact O-N 2.55Å; T268-M271 HydrophobicContact CG2-CE 4.26Å; T268-M271 PolarHBondContact N-SD 3.44Å; T268-M271 WeakPolarHBondContact O-CB 3.32Å; T268-M271 PolarHBondContact O-N 3.26Å; T268-M271 VanDerWaalsContact O-N 3.13Å; T268-M271 WeakPolarHBondContact OG1-CG 3.47Å; T268-R272 WeakPolarHBondContact O-CG 3.13Å; T268-R272 PolarHBondContact O-N 3.46Å; T268-R272 PolarHBondContact O-NH1 2.64Å; T268-I369 HydrophobicContact CG2-CD1 4.49Å
269	K	98.8	Very high	98.6	Very high	88 Å²	88	36.6 Å²	36.6	38%	0.383	19%	0.186	S	C	.	.	H	α-helix	trans	-50.3	-50.5	173.3	-172.3	-172.9	-165.1	146.4	0	112.3	E137 E138 M271 R272 E273	E137-K269 PolarHBondContact O-N 3.03Å; E138-K269 HydrophobicContact CB-CB 4.25Å; E138-K269 WeakPolarHBondContact OE1-CD 3.33Å; E138-K269 WeakPolarHBondContact OE1-CE 3.38Å; E138-K269 IonicContact OE1-NZ 2.76Å; E138-K269 PolarHBondContact OE1-NZ 2.86Å; K269-M271 VanDerWaalsContact C-N 3.27Å; K269-M271 PolarHBondContact O-N 2.81Å; K269-R272 PolarHBondContact O-N 3.47Å; K269-E273 WeakPolarHBondContact CE-OE1 3.48Å; K269-E273 PolarHBondContact O-N 2.88Å
270	A	98.7	Very high	98.7	Very high	31 Å²	31	36.2 Å²	36.2	26%	0.256	18%	0.182	S	C	.	.	H	α-helix	trans	-59.1	-38	-179.9	0	0	0	0	0	112.4	T268 R272 E273 G276 D279	T268-A270 VanDerWaalsContact C-N 3.3Å; T268-A270 PolarHBondContact O-N 2.55Å; A270-R272 VanDerWaalsContact C-N 3.27Å; A270-R272 PolarHBondContact O-N 3Å; A270-E273 PolarHBondContact O-N 3.27Å; A270-G276 WeakPolarHBondContact O-CA 3.32Å; A270-D279 HydrophobicContact CB-CB 4.4Å
271	M	98.8	Very high	98.7	Very high	6 Å²	6	41.6 Å²	41.6	3%	0.03	21%	0.208	C	C	.	.	H	α-helix	trans	-65.4	-30.5	176.7	-64.1	176.9	-173.7	0	0	112.8	T268 K269 D279 I280 A283 G345 F347 I369	T268-M271 HydrophobicContact CG2-CE 4.26Å; T268-M271 PolarHBondContact N-SD 3.44Å; T268-M271 WeakPolarHBondContact O-CB 3.32Å; T268-M271 PolarHBondContact O-N 3.26Å; T268-M271 VanDerWaalsContact O-N 3.13Å; T268-M271 WeakPolarHBondContact OG1-CG 3.47Å; K269-M271 VanDerWaalsContact C-N 3.27Å; K269-M271 PolarHBondContact O-N 2.81Å; M271-D279 HydrophobicContact CG-CB 3.99Å; M271-I280 HydrophobicContact CB-CD1 4.46Å; M271-I280 HydrophobicContact CB-CG1 3.86Å; M271-I280 HydrophobicContact CG-CG1 3.79Å; M271-I280 HydrophobicContact SD-CG1 4.02Å; M271-A283 HydrophobicContact CE-CB 3.37Å; M271-G345 CarbonylContact C-O 3.55Å; M271-G345 WeakPolarHBondContact CB-O 3.47Å; M271-G345 PolarHBondContact O-N 2.76Å; M271-F347 HydrophobicContact CE-CE1 4.13Å; M271-F347 HydrophobicContact SD-CD1 4.3Å; M271-F347 HydrophobicContact SD-CE1 4.17Å; M271-I369 HydrophobicContact CE-CD1 4.31Å
272	R	98.8	Very high	98.7	Very high	52 Å²	52	47.2 Å²	47.2	20%	0.196	23%	0.232	C	C	.	.	H	α-helix	trans	-84.6	-15.6	-179.2	-62.8	-171.9	-63.4	-91.3	5.1	113.5	E138 S267 T268 K269 A270 K344	E138-R272 PolarHBondContact O-NH1 2.82Å; E138-R272 VanDerWaalsContact O-NH1 3.1Å; E138-R272 PolarHBondContact O-NH2 2.93Å; S267-R272 PolarHBondContact O-NH1 3.08Å; S267-R272 PolarHBondContact OG-NH1 2.79Å; T268-R272 WeakPolarHBondContact O-CG 3.13Å; T268-R272 PolarHBondContact O-N 3.46Å; T268-R272 PolarHBondContact O-NH1 2.64Å; K269-R272 PolarHBondContact O-N 3.47Å; A270-R272 VanDerWaalsContact C-N 3.27Å; A270-R272 PolarHBondContact O-N 3Å; R272-K344 WeakPolarHBondContact O-CD 3.44Å
273	E	98.6	Very high	98.7	Very high	106 Å²	106	47.4 Å²	47.4	50%	0.495	23%	0.234	S	C	.	.	S	Bend	trans	-82.3	165.6	178.4	-72.7	178	177.7	0	0	112.4	K269 A270 G275 G276 K344	K269-E273 WeakPolarHBondContact CE-OE1 3.48Å; K269-E273 PolarHBondContact O-N 2.88Å; A270-E273 PolarHBondContact O-N 3.27Å; E273-G275 PolarHBondContact O-N 2.87Å; E273-G276 WeakPolarHBondContact O-CA 3.19Å; E273-G276 PolarHBondContact O-N 2.69Å; E273-K344 WeakPolarHBondContact O-CB 3.1Å
274	D	98.4	Very high	98.7	Very high	138 Å²	138	47.5 Å²	47.5	74%	0.738	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	125.2	-178.4	-71.1	-17.6	0	0	0	111.7	G276 K344	D274-G276 VanDerWaalsContact C-N 3.31Å; D274-K344 WeakPolarHBondContact OD1-CD 3.32Å; D274-K344 WeakPolarHBondContact OD1-CE 3.4Å; D274-K344 IonicContact OD1-NZ 2.65Å; D274-K344 PolarHBondContact OD1-NZ 3.41Å
275	G	98.1	Very high	98.7	Very high	36 Å²	36	49.9 Å²	49.9	37%	0.371	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.3	4.3	-173.9	0	0	0	0	0	114.5	E273 I277 R278 G343	E273-G275 PolarHBondContact O-N 2.87Å; G275-I277 PolarHBondContact O-N 3.28Å; G275-R278 PolarHBondContact O-N 2.69Å; G275-R278 VanDerWaalsContact O-N 3.16Å; G275-G343 CarbonylContact C-O 3.53Å
276	G	98.7	Very high	98.7	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.01	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-12.3	179.4	0	0	0	0	0	115.2	A270 E273 D274 R278 D279 I280 G343	A270-G276 WeakPolarHBondContact O-CA 3.32Å; E273-G276 WeakPolarHBondContact O-CA 3.19Å; E273-G276 PolarHBondContact O-N 2.69Å; D274-G276 VanDerWaalsContact C-N 3.31Å; G276-R278 PolarHBondContact O-N 3.48Å; G276-R278 VanDerWaalsContact O-N 3.16Å; G276-D279 PolarHBondContact O-N 2.64Å; G276-I280 PolarHBondContact O-N 3.37Å; G276-G343 PolarHBondContact N-O 3.2Å
277	I	98.6	Very high	98.7	Very high	28 Å²	28	51.3 Å²	51.3	14%	0.144	26%	0.26	C	S	.	.	H	α-helix	trans	-53.4	-32.7	169.3	-166.5	64	0	0	0	112.4	G275 D279 I280 E281 I335 V339 G343	G275-I277 PolarHBondContact O-N 3.28Å; I277-D279 VanDerWaalsContact C-N 3.31Å; I277-D279 PolarHBondContact O-N 3.06Å; I277-I280 HydrophobicContact CD1-CB 4.47Å; I277-I280 HydrophobicContact CD1-CD1 4.2Å; I277-I280 WeakPolarHBondContact O-CB 3.33Å; I277-I280 PolarHBondContact O-N 2.93Å; I277-E281 WeakPolarHBondContact O-CG 3.42Å; I277-E281 PolarHBondContact O-N 2.9Å; I277-I335 HydrophobicContact CD1-CG2 4.12Å; I277-V339 HydrophobicContact CD1-CG1 4.29Å; I277-G343 WeakPolarHBondContact CB-O 3.16Å; I277-G343 WeakPolarHBondContact CG2-O 3.27Å; I277-G343 PolarHBondContact N-O 2.86Å
278	R	98.6	Very high	98.6	Very high	174 Å²	174	53.3 Å²	53.3	66%	0.657	27%	0.274	S	S	*	.	H	α-helix	trans	-66	-36	176.3	-61.7	-179.5	-165.8	171.6	6.4	111.9	G275 G276 K282	G275-R278 PolarHBondContact O-N 2.69Å; G275-R278 VanDerWaalsContact O-N 3.16Å; G276-R278 PolarHBondContact O-N 3.48Å; G276-R278 VanDerWaalsContact O-N 3.16Å; R278-K282 VanDerWaalsContact O-CG 3.26Å; R278-K282 WeakPolarHBondContact O-CG 3.29Å; R278-K282 PolarHBondContact O-N 2.94Å
279	D	98.8	Very high	98.6	Very high	47 Å²	47	61.3 Å²	61.3	25%	0.251	31%	0.308	S	S	.	.	H	α-helix	trans	-76.2	-31.6	177.9	-62.5	-61	0	0	0	111.3	A270 M271 G276 I277 K282 A283	A270-D279 HydrophobicContact CB-CB 4.4Å; M271-D279 HydrophobicContact CG-CB 3.99Å; G276-D279 PolarHBondContact O-N 2.64Å; I277-D279 VanDerWaalsContact C-N 3.31Å; I277-D279 PolarHBondContact O-N 3.06Å; D279-K282 PolarHBondContact O-N 3.22Å; D279-K282 IonicContact OD1-NZ 2.77Å; D279-K282 PolarHBondContact OD1-NZ 2.97Å; D279-A283 WeakPolarHBondContact O-CB 3.34Å; D279-A283 PolarHBondContact O-N 3.44Å
280	I	98.8	Very high	98.5	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-59.8	-52.3	167.3	-64.3	173.3	0	0	0	110.2	M271 G276 I277 K282 A283 V284 I335 V339 F347	M271-I280 HydrophobicContact CB-CD1 4.46Å; M271-I280 HydrophobicContact CB-CG1 3.86Å; M271-I280 HydrophobicContact CG-CG1 3.79Å; M271-I280 HydrophobicContact SD-CG1 4.02Å; G276-I280 PolarHBondContact O-N 3.37Å; I277-I280 HydrophobicContact CD1-CB 4.47Å; I277-I280 HydrophobicContact CD1-CD1 4.2Å; I277-I280 WeakPolarHBondContact O-CB 3.33Å; I277-I280 PolarHBondContact O-N 2.93Å; I280-K282 VanDerWaalsContact C-N 3.31Å; I280-K282 PolarHBondContact O-N 3.13Å; I280-A283 WeakPolarHBondContact O-CB 3.45Å; I280-A283 PolarHBondContact O-N 2.77Å; I280-A283 VanDerWaalsContact O-N 3.1Å; I280-V284 HydrophobicContact CG2-CG2 4.35Å; I280-V284 WeakPolarHBondContact O-CG2 3.36Å; I280-V284 PolarHBondContact O-N 2.98Å; I280-I335 HydrophobicContact CG2-CD1 4.02Å; I280-I335 HydrophobicContact CG2-CG1 4.16Å; I280-V339 HydrophobicContact CD1-CG1 3.57Å; I280-F347 HydrophobicContact CG2-CB 3.92Å; I280-F347 HydrophobicContact CG2-CD1 4.19Å; I280-F347 HydrophobicContact CG2-CG 4.48Å
281	E	98.6	Very high	98.5	Very high	113 Å²	113	57.8 Å²	57.8	53%	0.528	29%	0.29	S	S	.	.	H	α-helix	trans	-58.9	-40.7	179.2	-72.3	172.9	163.7	0	0	112.4	I277 V284 A285	I277-E281 WeakPolarHBondContact O-CG 3.42Å; I277-E281 PolarHBondContact O-N 2.9Å; E281-V284 PolarHBondContact O-N 2.9Å; E281-A285 WeakPolarHBondContact O-CB 3.49Å; E281-A285 PolarHBondContact O-N 2.99Å
282	K	98.6	Very high	98.5	Very high	118 Å²	118	63.6 Å²	63.6	51%	0.513	32%	0.317	S	S	.	.	H	α-helix	trans	-61	-46.3	173.3	-72.5	172.1	-157.8	160.6	0	111.6	R278 D279 I280 A285 K286	R278-K282 VanDerWaalsContact O-CG 3.26Å; R278-K282 WeakPolarHBondContact O-CG 3.29Å; R278-K282 PolarHBondContact O-N 2.94Å; D279-K282 PolarHBondContact O-N 3.22Å; D279-K282 IonicContact OD1-NZ 2.77Å; D279-K282 PolarHBondContact OD1-NZ 2.97Å; I280-K282 VanDerWaalsContact C-N 3.31Å; I280-K282 PolarHBondContact O-N 3.13Å; K282-A285 PolarHBondContact O-N 3.11Å; K282-K286 WeakPolarHBondContact O-CG 3.45Å; K282-K286 PolarHBondContact O-N 2.92Å
283	A	98.8	Very high	98.4	Very high	4 Å²	4	65.2 Å²	65.2	3%	0.033	32%	0.323	C	S	.	.	H	α-helix	trans	-62.1	-44.1	178.3	0	0	0	0	0	111.7	M271 D279 I280 A285 K286 L287 F347 I369	M271-A283 HydrophobicContact CE-CB 3.37Å; D279-A283 WeakPolarHBondContact O-CB 3.34Å; D279-A283 PolarHBondContact O-N 3.44Å; I280-A283 WeakPolarHBondContact O-CB 3.45Å; I280-A283 PolarHBondContact O-N 2.77Å; I280-A283 VanDerWaalsContact O-N 3.1Å; A283-A285 VanDerWaalsContact C-N 3.29Å; A283-A285 PolarHBondContact O-N 3.08Å; A283-K286 PolarHBondContact O-N 2.91Å; A283-K286 VanDerWaalsContact O-N 3.11Å; A283-L287 WeakPolarHBondContact O-CG 3.27Å; A283-L287 PolarHBondContact O-N 3.47Å; A283-F347 HydrophobicContact CB-CE1 3.97Å; A283-I369 HydrophobicContact CB-CB 4.08Å; A283-I369 HydrophobicContact CB-CG2 3.9Å
284	V	98.6	Very high	98.5	Very high	15 Å²	15	60.2 Å²	60.2	9%	0.091	30%	0.299	C	S	.	.	H	α-helix	trans	-59.2	-40.7	174.3	176.3	0	0	0	0	111.4	I280 E281 K286 L287 S288 F322 A324 I333	I280-V284 HydrophobicContact CG2-CG2 4.35Å; I280-V284 WeakPolarHBondContact O-CG2 3.36Å; I280-V284 PolarHBondContact O-N 2.98Å; E281-V284 PolarHBondContact O-N 2.9Å; V284-K286 VanDerWaalsContact C-N 3.33Å; V284-K286 PolarHBondContact O-N 2.86Å; V284-L287 PolarHBondContact O-N 2.85Å; V284-S288 PolarHBondContact O-N 3.29Å; V284-F322 HydrophobicContact CG1-CE1 4.25Å; V284-F322 HydrophobicContact CG1-CZ 4.16Å; V284-A324 HydrophobicContact CG1-CB 3.53Å; V284-I333 HydrophobicContact CG2-CG2 3.81Å
285	A	98.5	Very high	98.5	Very high	49 Å²	49	54.3 Å²	54.3	41%	0.405	27%	0.268	S	S	.	.	H	α-helix	trans	-68.7	-26.7	176.7	0	0	0	0	0	113.9	E281 K282 A283 S288	E281-A285 WeakPolarHBondContact O-CB 3.49Å; E281-A285 PolarHBondContact O-N 2.99Å; K282-A285 PolarHBondContact O-N 3.11Å; A283-A285 VanDerWaalsContact C-N 3.29Å; A283-A285 PolarHBondContact O-N 3.08Å; A285-S288 PolarHBondContact O-OG 3.16Å
286	K	98.7	Very high	98.5	Very high	56 Å²	56	58.6 Å²	58.6	24%	0.243	27%	0.273	C	S	.	.	H	α-helix	trans	-73.5	-47.3	169.6	-64.9	179.7	-170.2	-168	0	110.4	K282 A283 V284 S288 K289 T368 I369 D372	K282-K286 WeakPolarHBondContact O-CG 3.45Å; K282-K286 PolarHBondContact O-N 2.92Å; A283-K286 PolarHBondContact O-N 2.91Å; A283-K286 VanDerWaalsContact O-N 3.11Å; V284-K286 VanDerWaalsContact C-N 3.33Å; V284-K286 PolarHBondContact O-N 2.86Å; K286-S288 VanDerWaalsContact C-N 3.26Å; K286-S288 PolarHBondContact O-N 2.98Å; K286-K289 PolarHBondContact O-N 2.92Å; K286-K289 VanDerWaalsContact O-N 3.08Å; K286-T368 HydrophobicContact CB-CG2 3.89Å; K286-T368 WeakPolarHBondContact CD-O 3.17Å; K286-I369 PolarHBondContact NZ-O 3.48Å; K286-D372 VanDerWaalsContact CD-OD1 3.29Å; K286-D372 WeakPolarHBondContact CD-OD1 3.32Å; K286-D372 WeakPolarHBondContact CE-OD1 3.3Å; K286-D372 IonicContact NZ-OD1 3.67Å; K286-D372 PolarHBondContact NZ-OD1 2.91Å; K286-D372 IonicContact NZ-OD2 3.55Å; K286-D372 PolarHBondContact NZ-OD2 3.39Å; K286-D372 VanDerWaalsContact NZ-OD2 3.11Å
287	L	98.6	Very high	98.5	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-58.1	-35.2	179	-69.9	168.9	0	0	0	113.2	A283 V284 K289 C290 H291 H294 F322 I333 F347 T368 I369	A283-L287 WeakPolarHBondContact O-CG 3.27Å; A283-L287 PolarHBondContact O-N 3.47Å; V284-L287 PolarHBondContact O-N 2.85Å; L287-K289 PolarHBondContact O-N 3.02Å; L287-C290 PolarHBondContact O-N 2.8Å; L287-H291 PolarHBondContact O-N 3.15Å; L287-H294 WeakPolarHBondContact CD2-CE1 3.22Å; L287-H294 WeakPolarHBondContact CD2-NE2 3.33Å; L287-F322 HydrophobicContact CB-CE2 4.07Å; L287-F322 HydrophobicContact CB-CZ 4.14Å; L287-I333 HydrophobicContact CD1-CD1 4.12Å; L287-I333 HydrophobicContact CD1-CG1 4.41Å; L287-F347 HydrophobicContact CD1-CD2 4.39Å; L287-F347 HydrophobicContact CD1-CE2 3.53Å; L287-F347 HydrophobicContact CD1-CZ 3.67Å; L287-T368 HydrophobicContact CD2-CG2 3.92Å; L287-T368 HydrophobicContact CG-CG2 4.34Å; L287-I369 HydrophobicContact CD1-CG2 4.36Å; L287-I369 HydrophobicContact CD2-CG2 4.1Å; L287-I369 HydrophobicContact CG-CG2 4.01Å
288	S	98.2	Very high	98.5	Very high	51 Å²	51	58.3 Å²	58.3	36%	0.357	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-63.3	-27.4	178.9	73.2	0	0	0	0	113.5	V284 A285 K286	V284-S288 PolarHBondContact O-N 3.29Å; A285-S288 PolarHBondContact O-OG 3.16Å; K286-S288 VanDerWaalsContact C-N 3.26Å; K286-S288 PolarHBondContact O-N 2.98Å
289	K	98.2	Very high	98.5	Very high	174 Å²	174	50.3 Å²	50.3	76%	0.757	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-84.1	-13.8	180	-60.2	174.4	-173.5	174.8	0	113.1	K286 L287	K286-K289 PolarHBondContact O-N 2.92Å; K286-K289 VanDerWaalsContact O-N 3.08Å; L287-K289 PolarHBondContact O-N 3.02Å
290	C	97.9	Very high	98.5	Very high	25 Å²	25	50.2 Å²	50.2	17%	0.169	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-118.9	17.5	-173.1	-57.5	0	0	0	0	112.5	L287 E292 R293 H294 T368	L287-C290 PolarHBondContact O-N 2.8Å; C290-E292 VanDerWaalsContact C-N 3.33Å; C290-E292 PolarHBondContact O-N 3.44Å; C290-R293 WeakPolarHBondContact O-CB 3.41Å; C290-R293 PolarHBondContact O-N 3Å; C290-H294 PolarHBondContact O-CD2 2.86Å; C290-H294 VanDerWaalsContact O-CD2 3.3Å; C290-H294 PolarHBondContact O-N 2.83Å; C290-H294 VanDerWaalsContact O-N 3.12Å; C290-T368 HydrophobicContact CB-CG2 4.32Å
291	H	98.1	Very high	98.4	Very high	21 Å²	21	54.5 Å²	54.5	10%	0.097	27%	0.265	C	S	.	.	H	α-helix	trans	-50.3	-48.4	-170.5	-179.4	33.2	0	0	0	114	L287 R293 H294 I295 I319 F322 R351	L287-H291 PolarHBondContact O-N 3.15Å; H291-R293 PolarHBondContact O-N 3.07Å; H291-H294 WeakPolarHBondContact O-CB 3.4Å; H291-H294 PolarHBondContact O-N 2.76Å; H291-I295 VanDerWaalsContact CE1-CG1 3.49Å; H291-I295 WeakPolarHBondContact CE1-CG1 3.48Å; H291-I295 PolarHBondContact O-N 3.3Å; H291-I319 PolarHBondContact NE2-O 2.94Å; H291-I319 VanDerWaalsContact NE2-O 3.08Å; H291-F322 HydrophobicContact CB-CB 4.15Å; H291-F322 HydrophobicContact CB-CD2 4.32Å; H291-R351 PolarHBondContact ND1-NH1 2.67Å
292	E	97.9	Very high	98.4	Very high	128 Å²	128	55.1 Å²	55.1	60%	0.598	27%	0.268	S	S	*	.	H	α-helix	trans	-63	-41.4	-178.8	-168.4	-171.7	163	0	0	112.3	C290 H294 I295 R296	C290-E292 VanDerWaalsContact C-N 3.33Å; C290-E292 PolarHBondContact O-N 3.44Å; E292-H294 VanDerWaalsContact C-N 3.28Å; E292-H294 PolarHBondContact O-N 2.91Å; E292-I295 PolarHBondContact O-N 2.93Å; E292-R296 VanDerWaalsContact CD-NH2 3.29Å; E292-R296 WeakPolarHBondContact O-CG 3.39Å; E292-R296 PolarHBondContact O-N 3.28Å; E292-R296 IonicContact OE1-CZ 3.63Å; E292-R296 IonicContact OE1-NE 2.75Å; E292-R296 IonicContact OE1-NH2 3.96Å; E292-R296 PolarHBondContact OE1-NH2 3.06Å; E292-R296 IonicContact OE2-NH2 3.25Å
293	R	98.1	Very high	98.4	Very high	86 Å²	86	49.9 Å²	49.9	33%	0.325	25%	0.248	S	C	.	.	H	α-helix	trans	-60.6	-41.3	175.9	-176.4	176.6	72.1	-164.3	-0.9	111.1	C290 H291 R296 A297 T368 E373	C290-R293 WeakPolarHBondContact O-CB 3.41Å; C290-R293 PolarHBondContact O-N 3Å; H291-R293 PolarHBondContact O-N 3.07Å; R293-R296 PolarHBondContact O-N 3.26Å; R293-A297 PolarHBondContact O-N 3.3Å; R293-T368 PolarHBondContact NH2-OG1 2.91Å; R293-E373 PolarHBondContact NH1-O 3.39Å; R293-E373 VanDerWaalsContact NH1-O 3.08Å; R293-E373 PolarHBondContact NH1-OXT 2.85Å; R293-E373 PolarHBondContact NH2-O 3.08Å
294	H	98.8	Very high	98.3	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-65.9	-46.3	176.5	-80.6	-97.7	0	0	0	111.8	L287 C290 H291 E292 R296 A297 Y298 A364 T368	L287-H294 WeakPolarHBondContact CD2-CE1 3.22Å; L287-H294 WeakPolarHBondContact CD2-NE2 3.33Å; C290-H294 PolarHBondContact O-CD2 2.86Å; C290-H294 VanDerWaalsContact O-CD2 3.3Å; C290-H294 PolarHBondContact O-N 2.83Å; C290-H294 VanDerWaalsContact O-N 3.12Å; H291-H294 WeakPolarHBondContact O-CB 3.4Å; H291-H294 PolarHBondContact O-N 2.76Å; E292-H294 VanDerWaalsContact C-N 3.28Å; E292-H294 PolarHBondContact O-N 2.91Å; H294-R296 PolarHBondContact O-N 3.46Å; H294-A297 CarbonylContact O-C 3.42Å; H294-A297 WeakPolarHBondContact O-CA 3.43Å; H294-A297 PolarHBondContact O-N 2.95Å; H294-Y298 HydrophobicContact CB-CD2 4.37Å; H294-Y298 HydrophobicContact CB-CE1 4.24Å; H294-Y298 HydrophobicContact CB-CE2 3.94Å; H294-Y298 AromaticContact ND1-CE1 3.72Å; H294-Y298 AromaticContact ND1-CZ 3.32Å; H294-Y298 VanDerWaalsContact ND1-CZ 3.32Å; H294-Y298 PolarHBondContact ND1-OH 3.3Å; H294-Y298 VanDerWaalsContact O-CB 3.26Å; H294-Y298 WeakPolarHBondContact O-CB 3.39Å; H294-Y298 WeakPolarHBondContact O-CD1 3.48Å; H294-Y298 PolarHBondContact O-N 3.19Å; H294-A364 PolarHBondContact CE1-O 2.72Å; H294-T368 PolarHBondContact NE2-OG1 2.64Å
295	I	98.6	Very high	98.3	Very high	14 Å²	14	56.4 Å²	56.4	7%	0.072	28%	0.277	C	S	.	.	H	α-helix	trans	-55.7	-41.7	176.7	-69.4	-58.2	0	0	0	111.4	H291 E292 A297 Y298 L310 I319 R351	H291-I295 VanDerWaalsContact CE1-CG1 3.49Å; H291-I295 WeakPolarHBondContact CE1-CG1 3.48Å; H291-I295 PolarHBondContact O-N 3.3Å; E292-I295 PolarHBondContact O-N 2.93Å; I295-A297 VanDerWaalsContact C-N 3.25Å; I295-A297 PolarHBondContact O-N 3.41Å; I295-Y298 PolarHBondContact O-N 3.12Å; I295-Y298 VanDerWaalsContact O-N 3.15Å; I295-L310 HydrophobicContact CD1-CD1 3.91Å; I295-I319 HydrophobicContact CD1-CG1 4.15Å; I295-I319 HydrophobicContact CG1-CG1 4.34Å; I295-I319 HydrophobicContact CG2-CD1 3.94Å; I295-I319 HydrophobicContact CG2-CG1 3.92Å; I295-R351 HydrophobicContact CD1-CB 4.3Å
296	R	98.5	Very high	98.2	Very high	127 Å²	127	54.1 Å²	54.1	48%	0.479	26%	0.258	S	S	.	.	H	α-helix	trans	-65.8	-23.8	176.2	-67.1	-170.5	-128.8	177.8	2.3	114.5	E292 R293 H294 Q302	E292-R296 VanDerWaalsContact CD-NH2 3.29Å; E292-R296 WeakPolarHBondContact O-CG 3.39Å; E292-R296 PolarHBondContact O-N 3.28Å; E292-R296 IonicContact OE1-CZ 3.63Å; E292-R296 IonicContact OE1-NE 2.75Å; E292-R296 IonicContact OE1-NH2 3.96Å; E292-R296 PolarHBondContact OE1-NH2 3.06Å; E292-R296 IonicContact OE2-NH2 3.25Å; R293-R296 PolarHBondContact O-N 3.26Å; H294-R296 PolarHBondContact O-N 3.46Å; R296-Q302 HydrophobicContact CB-CB 4.18Å; R296-Q302 HydrophobicContact CG-CB 4.29Å; R296-Q302 WeakPolarHBondContact O-CA 3.35Å
297	A	98.5	Very high	98.2	Very high	23 Å²	23	53.7 Å²	53.7	19%	0.19	27%	0.265	C	S	.	.	H	α-helix	trans	-90.8	-9.7	176.6	0	0	0	0	0	113.1	R293 H294 I295 A364	R293-A297 PolarHBondContact O-N 3.3Å; H294-A297 CarbonylContact O-C 3.42Å; H294-A297 WeakPolarHBondContact O-CA 3.43Å; H294-A297 PolarHBondContact O-N 2.95Å; I295-A297 VanDerWaalsContact C-N 3.25Å; I295-A297 PolarHBondContact O-N 3.41Å; A297-A364 HydrophobicContact CB-CB 3.86Å
298	Y	98.8	Very high	98.1	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.281	C	S	.	.	S	Bend	trans	-100	2	-165	-80	10.9	0	0	0	114.2	H294 I295 D349 R351 P352 S353 C356 V361 I365	H294-Y298 HydrophobicContact CB-CD2 4.37Å; H294-Y298 HydrophobicContact CB-CE1 4.24Å; H294-Y298 HydrophobicContact CB-CE2 3.94Å; H294-Y298 AromaticContact ND1-CE1 3.72Å; H294-Y298 AromaticContact ND1-CZ 3.32Å; H294-Y298 VanDerWaalsContact ND1-CZ 3.32Å; H294-Y298 PolarHBondContact ND1-OH 3.3Å; H294-Y298 VanDerWaalsContact O-CB 3.26Å; H294-Y298 WeakPolarHBondContact O-CB 3.39Å; H294-Y298 WeakPolarHBondContact O-CD1 3.48Å; H294-Y298 PolarHBondContact O-N 3.19Å; I295-Y298 PolarHBondContact O-N 3.12Å; I295-Y298 VanDerWaalsContact O-N 3.15Å; Y298-D349 VanDerWaalsContact CE2-OD2 3.31Å; Y298-D349 WeakPolarHBondContact CE2-OD2 3.42Å; Y298-D349 PolarHBondContact OH-OD2 2.9Å; Y298-R351 HydrophobicContact CD2-CB 3.58Å; Y298-R351 HydrophobicContact CE2-CB 3.71Å; Y298-P352 HydrophobicContact CD1-CG 4.4Å; Y298-P352 HydrophobicContact CD2-CB 4.31Å; Y298-P352 HydrophobicContact CD2-CG 3.82Å; Y298-P352 HydrophobicContact CE1-CG 4.38Å; Y298-P352 HydrophobicContact CE2-CG 3.75Å; Y298-P352 HydrophobicContact CG-CB 4.28Å; Y298-P352 HydrophobicContact CG-CG 4.13Å; Y298-S353 WeakPolarHBondContact O-CB 3.35Å; Y298-S353 PolarHBondContact O-N 2.79Å; Y298-C356 VanDerWaalsContact O-CB 3.31Å; Y298-C356 WeakPolarHBondContact O-CB 3.31Å; Y298-V361 HydrophobicContact CD1-CB 4.39Å; Y298-V361 HydrophobicContact CD1-CG1 4.37Å; Y298-V361 HydrophobicContact CD1-CG2 3.8Å; Y298-V361 HydrophobicContact CE1-CB 4.2Å; Y298-V361 HydrophobicContact CE1-CG1 3.84Å; Y298-V361 HydrophobicContact CE1-CG2 4.1Å; Y298-I365 WeakPolarHBondContact OH-CG1 3.15Å
299	D	98.6	Very high	98.1	Very high	5 Å²	5	56 Å²	56	3%	0.027	27%	0.266	C	S	.	.	S	Bend	trans	-152.8	157.5	157.9	65.5	81.5	0	0	0	110.3	K301 Q302 G303 D305 N306	D299-K301 PolarHBondContact O-N 3.17Å; D299-K301 VanDerWaalsContact O-N 3.15Å; D299-K301 VanDerWaalsContact OD1-CA 3.27Å; D299-K301 WeakPolarHBondContact OD1-CA 3.09Å; D299-K301 PolarHBondContact OD1-N 3.31Å; D299-Q302 PolarHBondContact O-N 3.45Å; D299-Q302 PolarHBondContact OD1-N 3.27Å; D299-G303 VanDerWaalsContact CG-N 3.25Å; D299-G303 PolarHBondContact OD1-N 2.8Å; D299-G303 VanDerWaalsContact OD2-C 3.29Å; D299-G303 WeakPolarHBondContact OD2-CA 3.39Å; D299-G303 PolarHBondContact OD2-N 3.44Å; D299-D305 HydrophobicContact CB-CB 4.27Å; D299-N306 WeakPolarHBondContact OD2-CB 3.29Å; D299-N306 PolarHBondContact OD2-N 3.36Å
300	P	98.2	Very high	98.1	Very high	46 Å²	46	47.9 Å²	47.9	30%	0.299	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-22.8	-178.4	-24	34.6	0	0	0	114.5	E48 Q302 N355	E48-P300 HydrophobicContact CG-CB 4Å; E48-P300 HydrophobicContact CG-CG 3.49Å; E48-P300 VanDerWaalsContact CG-CG 3.49Å; P300-Q302 VanDerWaalsContact C-N 3.35Å; P300-N355 WeakPolarHBondContact CD-O 3.27Å; P300-N355 WeakPolarHBondContact CG-O 3.35Å
301	K	98.3	Very high	97.9	Very high	89 Å²	89	50 Å²	50	39%	0.387	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	22.6	177.8	-56.3	-163.9	-168.2	91.3	0	112.9	D299 G303 Q304 D305	D299-K301 PolarHBondContact O-N 3.17Å; D299-K301 VanDerWaalsContact O-N 3.15Å; D299-K301 VanDerWaalsContact OD1-CA 3.27Å; D299-K301 WeakPolarHBondContact OD1-CA 3.09Å; D299-K301 PolarHBondContact OD1-N 3.31Å; K301-G303 PolarHBondContact O-N 3.37Å; K301-Q304 HydrophobicContact CB-CB 3.96Å; K301-Q304 WeakPolarHBondContact O-CB 3.47Å; K301-Q304 VanDerWaalsContact O-CG 3.31Å; K301-Q304 WeakPolarHBondContact O-CG 3.26Å; K301-Q304 PolarHBondContact O-N 3.15Å; K301-Q304 PolarHBondContact O-NE2 2.85Å; K301-D305 WeakPolarHBondContact CD-OD2 3.24Å; K301-D305 WeakPolarHBondContact CG-OD2 3.21Å; K301-D305 VanDerWaalsContact NZ-CG 3.34Å; K301-D305 IonicContact NZ-OD1 2.79Å; K301-D305 PolarHBondContact NZ-OD1 3.46Å; K301-D305 VanDerWaalsContact NZ-OD1 3.16Å; K301-D305 IonicContact NZ-OD2 3.9Å; K301-D305 PolarHBondContact NZ-OD2 3.5Å
302	Q	97.9	Very high	97.3	Very high	127 Å²	127	51.3 Å²	51.3	59%	0.593	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	40.8	170.2	-54	179.2	38.1	0	0	114.5	R296 D299 P300	R296-Q302 HydrophobicContact CB-CB 4.18Å; R296-Q302 HydrophobicContact CG-CB 4.29Å; R296-Q302 WeakPolarHBondContact O-CA 3.35Å; D299-Q302 PolarHBondContact O-N 3.45Å; D299-Q302 PolarHBondContact OD1-N 3.27Å; P300-Q302 VanDerWaalsContact C-N 3.35Å
303	G	97.7	Very high	96.6	Very high	8 Å²	8	51.9 Å²	51.9	8%	0.082	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	107	-16.5	177.5	0	0	0	0	0	113.4	D299 K301 N306 A307 I319	D299-G303 VanDerWaalsContact CG-N 3.25Å; D299-G303 PolarHBondContact OD1-N 2.8Å; D299-G303 VanDerWaalsContact OD2-C 3.29Å; D299-G303 WeakPolarHBondContact OD2-CA 3.39Å; D299-G303 PolarHBondContact OD2-N 3.44Å; K301-G303 PolarHBondContact O-N 3.37Å; G303-N306 PolarHBondContact O-N 3.33Å; G303-A307 WeakPolarHBondContact O-CB 3.41Å; G303-A307 PolarHBondContact O-N 3.16Å; G303-I319 WeakPolarHBondContact O-CD1 3.42Å
304	Q	97.9	Very high	95.9	Very high	144 Å²	144	50.3 Å²	50.3	67%	0.673	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-40.2	-173.5	-67.4	177.4	46.9	0	0	112.3	K301	K301-Q304 HydrophobicContact CB-CB 3.96Å; K301-Q304 WeakPolarHBondContact O-CB 3.47Å; K301-Q304 VanDerWaalsContact O-CG 3.31Å; K301-Q304 WeakPolarHBondContact O-CG 3.26Å; K301-Q304 PolarHBondContact O-N 3.15Å; K301-Q304 PolarHBondContact O-NE2 2.85Å
305	D	98.1	Very high	95	Very high	12 Å²	12	55 Å²	55	6%	0.064	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-45	176.8	-77.3	-37.9	0	0	0	110.6	P250 D299 K301 A307 R308 N355	P250-D305 HydrophobicContact CG-CB 3.89Å; D299-D305 HydrophobicContact CB-CB 4.27Å; K301-D305 WeakPolarHBondContact CD-OD2 3.24Å; K301-D305 WeakPolarHBondContact CG-OD2 3.21Å; K301-D305 VanDerWaalsContact NZ-CG 3.34Å; K301-D305 IonicContact NZ-OD1 2.79Å; K301-D305 PolarHBondContact NZ-OD1 3.46Å; K301-D305 VanDerWaalsContact NZ-OD1 3.16Å; K301-D305 IonicContact NZ-OD2 3.9Å; K301-D305 PolarHBondContact NZ-OD2 3.5Å; D305-A307 PolarHBondContact O-N 2.81Å; D305-R308 WeakPolarHBondContact O-CB 2.99Å; D305-R308 PolarHBondContact O-N 3.13Å; D305-R308 VanDerWaalsContact O-N 3.13Å; D305-R308 PolarHBondContact O-NE 3.25Å; D305-R308 IonicContact OD1-CZ 3.5Å; D305-R308 IonicContact OD1-NE 3.42Å; D305-R308 IonicContact OD1-NH2 3.62Å; D305-R308 PolarHBondContact OD1-NH2 3.41Å; D305-N355 PolarHBondContact OD2-ND2 3.31Å
306	N	97.6	Very high	94.1	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-69	-21.9	-176.4	-153.3	13.2	0	0	0	112.8	D299 G303 R308 R309 L310 R351	D299-N306 WeakPolarHBondContact OD2-CB 3.29Å; D299-N306 PolarHBondContact OD2-N 3.36Å; G303-N306 PolarHBondContact O-N 3.33Å; N306-R308 PolarHBondContact O-N 3.35Å; N306-R309 WeakPolarHBondContact O-CA 3.49Å; N306-R309 PolarHBondContact O-N 3.38Å; N306-R309 VanDerWaalsContact OD1-CZ 3.31Å; N306-R309 PolarHBondContact OD1-NE 2.85Å; N306-R309 PolarHBondContact OD1-NH2 3.08Å; N306-L310 WeakPolarHBondContact ND2-CD1 3.13Å; N306-L310 PolarHBondContact O-N 3.49Å; N306-L310 WeakPolarHBondContact OD1-CG 3.31Å; N306-R351 PolarHBondContact ND2-O 3.2Å
307	A	97.4	Very high	93.6	Very high	47 Å²	47	49.2 Å²	49.2	39%	0.388	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-58.7	-26.9	172.6	0	0	0	0	0	113	G303 D305 R309 I319	G303-A307 WeakPolarHBondContact O-CB 3.41Å; G303-A307 PolarHBondContact O-N 3.16Å; D305-A307 PolarHBondContact O-N 2.81Å; A307-R309 VanDerWaalsContact C-N 3.28Å; A307-I319 HydrophobicContact CB-CD1 3.81Å
308	R	97.8	Very high	93.3	Very high	90 Å²	90	49.6 Å²	49.6	34%	0.34	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-73.1	-21.9	174.8	-61.4	-178.6	-74.4	122.6	-7.4	112.7	D249 K251 D305 N306	D249-R308 IonicContact OD1-CZ 2.64Å; D249-R308 IonicContact OD1-NH1 2.85Å; D249-R308 PolarHBondContact OD1-NH1 2.87Å; D249-R308 IonicContact OD1-NH2 3.39Å; D249-R308 IonicContact OD2-CZ 2.99Å; D249-R308 IonicContact OD2-NH1 3.42Å; D249-R308 PolarHBondContact OD2-NH1 3.16Å; D249-R308 VanDerWaalsContact OD2-NH1 3.17Å; D249-R308 IonicContact OD2-NH2 3.97Å; D249-R308 PolarHBondContact OD2-NH2 3.1Å; K251-R308 HydrophobicContact CB-CB 3.76Å; K251-R308 HydrophobicContact CG-CB 4.2Å; K251-R308 PolarHBondContact O-NH1 3.31Å; D305-R308 WeakPolarHBondContact O-CB 2.99Å; D305-R308 PolarHBondContact O-N 3.13Å; D305-R308 VanDerWaalsContact O-N 3.13Å; D305-R308 PolarHBondContact O-NE 3.25Å; D305-R308 IonicContact OD1-CZ 3.5Å; D305-R308 IonicContact OD1-NE 3.42Å; D305-R308 IonicContact OD1-NH2 3.62Å; D305-R308 PolarHBondContact OD1-NH2 3.41Å; N306-R308 PolarHBondContact O-N 3.35Å
309	R	97.8	Very high	93.1	Very high	10 Å²	10	51 Å²	51	4%	0.038	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-53.8	-177	-177.3	-178	73.9	97	1.8	112.6	P250 A260 N306 A307 T311 T316 R350 R351 P352	P250-R309 HydrophobicContact CB-CB 4.04Å; P250-R309 WeakPolarHBondContact O-CD 3.41Å; A260-R309 WeakPolarHBondContact O-CD 3.39Å; N306-R309 WeakPolarHBondContact O-CA 3.49Å; N306-R309 PolarHBondContact O-N 3.38Å; N306-R309 VanDerWaalsContact OD1-CZ 3.31Å; N306-R309 PolarHBondContact OD1-NE 2.85Å; N306-R309 PolarHBondContact OD1-NH2 3.08Å; A307-R309 VanDerWaalsContact C-N 3.28Å; R309-T311 VanDerWaalsContact C-N 3.31Å; R309-T311 PolarHBondContact O-N 3.05Å; R309-T311 PolarHBondContact O-OG1 3.24Å; R309-T316 HydrophobicContact CG-CG2 4.18Å; R309-T316 PolarHBondContact O-OG1 2.85Å; R309-R350 PolarHBondContact NH2-O 3.45Å; R309-R351 PolarHBondContact NH2-O 2.65Å; R309-P352 PolarHBondContact NH2-O 3.12Å; R309-P352 VanDerWaalsContact NH2-O 3.08Å
310	L	96.7	Very high	92.9	Very high	4 Å²	4	57 Å²	57	2%	0.021	30%	0.301	C	S	.	.			trans	-76.4	75.5	-174.5	-68.8	-175.5	0	0	0	112.1	I295 N306 T316 S317 I319 R351	I295-L310 HydrophobicContact CD1-CD1 3.91Å; N306-L310 WeakPolarHBondContact ND2-CD1 3.13Å; N306-L310 PolarHBondContact O-N 3.49Å; N306-L310 WeakPolarHBondContact OD1-CG 3.31Å; L310-T316 HydrophobicContact CD2-CG2 4.43Å; L310-S317 CarbonylContact C-O 3.59Å; L310-S317 VanDerWaalsContact CA-O 3.26Å; L310-S317 WeakPolarHBondContact CA-O 3.48Å; L310-S317 WeakPolarHBondContact CB-O 3.48Å; L310-I319 HydrophobicContact CB-CB 3.82Å; L310-I319 HydrophobicContact CB-CG1 4.44Å; L310-I319 HydrophobicContact CD1-CB 4.43Å; L310-I319 HydrophobicContact CD1-CG1 4.29Å; L310-I319 PolarHBondContact O-N 3.43Å; L310-R351 HydrophobicContact CD1-CB 4.46Å
311	T	94	Very high	92.7	Very high	70 Å²	70	59.6 Å²	59.6	43%	0.429	31%	0.312	S	S	.	.	B	Isolated β-bridge	trans	-109.8	-0.9	-173.3	58.7	0	0	0	0	113.5	R309 K313 T316 S317	R309-T311 VanDerWaalsContact C-N 3.31Å; R309-T311 PolarHBondContact O-N 3.05Å; R309-T311 PolarHBondContact O-OG1 3.24Å; T311-K313 PolarHBondContact O-N 2.9Å; T311-T316 PolarHBondContact N-OG1 3.25Å; T311-S317 PolarHBondContact N-O 3.32Å
312	G	86.6	Confident	92.7	Very high	48 Å²	48	57.7 Å²	57.7	50%	0.495	30%	0.304	S	S	.	.	S	Bend	trans	78.9	-0.5	-169.8	0	0	0	0	0	114.3	T316 S317	G312-T316 CarbonylContact C-O 3.57Å; G312-T316 WeakPolarHBondContact CA-O 3.47Å; G312-S317 PolarHBondContact N-O 2.81Å; G312-S317 VanDerWaalsContact N-O 3.15Å
313	K	82.5	Confident	92.7	Very high	140 Å²	140	53.8 Å²	53.8	61%	0.609	29%	0.291	S	S	*	.			trans	-109.4	167.6	177.2	-61.8	-178.5	-178.6	178.3	0	110.6	T311 E315 T316	T311-K313 PolarHBondContact O-N 2.9Å; K313-E315 VanDerWaalsContact C-N 3.32Å; K313-E315 PolarHBondContact O-N 2.75Å; K313-T316 PolarHBondContact O-N 2.58Å; K313-T316 VanDerWaalsContact O-N 3.17Å; K313-T316 PolarHBondContact O-OG1 2.85Å
314	H	84.6	Confident	92.7	Very high	52 Å²	52	55.8 Å²	55.8	24%	0.241	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	47.7	176.1	-44.4	-60.7	0	0	0	113.2	D256 T316	D256-H314 IonicContact OD1-CE1 3.34Å; D256-H314 PolarHBondContact OD1-CE1 2.99Å; D256-H314 IonicContact OD1-ND1 2.73Å; D256-H314 IonicContact OD1-NE2 3.76Å; H314-T316 VanDerWaalsContact C-N 3.27Å; H314-T316 PolarHBondContact O-N 3.29Å
315	E	79.1	Confident	92.6	Very high	98 Å²	98	49.9 Å²	49.9	46%	0.458	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	30	178	-52	-177.6	-173.6	0	0	114.8	K313 R329	K313-E315 VanDerWaalsContact C-N 3.32Å; K313-E315 PolarHBondContact O-N 2.75Å; E315-R329 HydrophobicContact CB-CB 4.3Å; E315-R329 VanDerWaalsContact OE2-CD 3.29Å; E315-R329 WeakPolarHBondContact OE2-CD 3.5Å; E315-R329 IonicContact OE2-NH1 2.73Å
316	T	80.3	Confident	92.5	Very high	16 Å²	16	52.1 Å²	52.1	10%	0.098	30%	0.298	C	S	.	.			trans	-116.1	156.3	172.9	67.2	0	0	0	0	111.5	R309 L310 T311 G312 K313 H314	R309-T316 HydrophobicContact CG-CG2 4.18Å; R309-T316 PolarHBondContact O-OG1 2.85Å; L310-T316 HydrophobicContact CD2-CG2 4.43Å; T311-T316 PolarHBondContact N-OG1 3.25Å; G312-T316 CarbonylContact C-O 3.57Å; G312-T316 WeakPolarHBondContact CA-O 3.47Å; K313-T316 PolarHBondContact O-N 2.58Å; K313-T316 VanDerWaalsContact O-N 3.17Å; K313-T316 PolarHBondContact O-OG1 2.85Å; H314-T316 VanDerWaalsContact C-N 3.27Å; H314-T316 PolarHBondContact O-N 3.29Å
317	S	86.6	Confident	92.3	Very high	5 Å²	5	53.8 Å²	53.8	4%	0.035	31%	0.312	C	S	.	.			trans	-79.2	167.8	168.6	71.1	0	0	0	0	111.6	L310 T311 G312 S332	L310-S317 CarbonylContact C-O 3.59Å; L310-S317 VanDerWaalsContact CA-O 3.26Å; L310-S317 WeakPolarHBondContact CA-O 3.48Å; L310-S317 WeakPolarHBondContact CB-O 3.48Å; T311-S317 PolarHBondContact N-O 3.32Å; G312-S317 PolarHBondContact N-O 2.81Å; G312-S317 VanDerWaalsContact N-O 3.15Å; S317-S332 PolarHBondContact OG-OG 3.2Å
318	S	92.1	Very high	92.1	Very high	31 Å²	31	55.4 Å²	55.4	22%	0.217	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-62.2	146	161.6	171.5	0	0	0	0	109.5	N320 D321	S318-N320 PolarHBondContact O-N 2.77Å; S318-N320 PolarHBondContact OG-N 2.95Å; S318-D321 VanDerWaalsContact CB-OD2 3.23Å; S318-D321 WeakPolarHBondContact CB-OD2 3.48Å; S318-D321 PolarHBondContact OG-OD2 2.79Å
319	I	95.1	Very high	91.7	Very high	30 Å²	30	56.2 Å²	56.2	15%	0.154	32%	0.317	C	S	.	.	S	Bend	trans	-70.2	-22.2	172.4	-166.4	162.3	0	0	0	112.8	H291 I295 G303 A307 L310	H291-I319 PolarHBondContact NE2-O 2.94Å; H291-I319 VanDerWaalsContact NE2-O 3.08Å; I295-I319 HydrophobicContact CD1-CG1 4.15Å; I295-I319 HydrophobicContact CG1-CG1 4.34Å; I295-I319 HydrophobicContact CG2-CD1 3.94Å; I295-I319 HydrophobicContact CG2-CG1 3.92Å; G303-I319 WeakPolarHBondContact O-CD1 3.42Å; A307-I319 HydrophobicContact CB-CD1 3.81Å; L310-I319 HydrophobicContact CB-CB 3.82Å; L310-I319 HydrophobicContact CB-CG1 4.44Å; L310-I319 HydrophobicContact CD1-CB 4.43Å; L310-I319 HydrophobicContact CD1-CG1 4.29Å; L310-I319 PolarHBondContact O-N 3.43Å
320	N	94.5	Very high	91.3	Very high	129 Å²	129	57.4 Å²	57.4	69%	0.69	33%	0.332	S	S	*	.	S	Bend	trans	-93.3	-25	-174.5	-60.5	-45.9	0	0	0	112.9	S318	S318-N320 PolarHBondContact O-N 2.77Å; S318-N320 PolarHBondContact OG-N 2.95Å
321	D	94.8	Very high	91.2	Very high	101 Å²	101	57.2 Å²	57.2	54%	0.54	33%	0.331	S	S	.	.			trans	-113.5	122.6	-168.7	-51.1	-66.7	0	0	0	110.8	S318 S332	S318-D321 VanDerWaalsContact CB-OD2 3.23Å; S318-D321 WeakPolarHBondContact CB-OD2 3.48Å; S318-D321 PolarHBondContact OG-OD2 2.79Å; D321-S332 PolarHBondContact O-OG 2.58Å
322	F	97.9	Very high	91.4	Very high	50 Å²	50	53.9 Å²	53.9	22%	0.219	31%	0.311	C	S	.	.			trans	-79.5	134.7	170.8	-175.3	-87.1	0	0	0	110.8	V284 L287 H291 A324 I333	V284-F322 HydrophobicContact CG1-CE1 4.25Å; V284-F322 HydrophobicContact CG1-CZ 4.16Å; L287-F322 HydrophobicContact CB-CE2 4.07Å; L287-F322 HydrophobicContact CB-CZ 4.14Å; H291-F322 HydrophobicContact CB-CB 4.15Å; H291-F322 HydrophobicContact CB-CD2 4.32Å; F322-A324 HydrophobicContact CE1-CB 4.31Å; F322-I333 HydrophobicContact CE2-CD1 4.3Å; F322-I333 HydrophobicContact CE2-CG1 3.59Å; F322-I333 HydrophobicContact CZ-CB 4.37Å; F322-I333 HydrophobicContact CZ-CG1 3.47Å; F322-I333 VanDerWaalsContact CZ-CG1 3.47Å
323	S	97.5	Very high	92	Very high	45 Å²	45	51.6 Å²	51.6	32%	0.315	29%	0.287	S	S	.	.			trans	-145.4	152.9	173.4	54.4	0	0	0	0	111.6	C331 S332 I333	S323-C331 VanDerWaalsContact OG-CA 3.28Å; S323-C331 WeakPolarHBondContact OG-CA 3.4Å; S323-C331 WeakPolarHBondContact OG-CB 3.26Å; S323-S332 PolarHBondContact N-OG 3.11Å; S323-S332 VanDerWaalsContact N-OG 3.1Å; S323-S332 WeakPolarHBondContact O-CA 3.47Å; S323-S332 WeakPolarHBondContact O-CB 3.46Å; S323-S332 PolarHBondContact O-N 3.37Å; S323-S332 PolarHBondContact OG-N 3.09Å; S323-S332 VanDerWaalsContact OG-N 3.16Å; S323-I333 PolarHBondContact O-N 2.77Å
324	A	97.5	Very high	92.7	Very high	49 Å²	49	46.9 Å²	46.9	41%	0.405	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	151	174.2	0	0	0	0	0	111.3	V284 F322 I333	V284-A324 HydrophobicContact CG1-CB 3.53Å; F322-A324 HydrophobicContact CE1-CB 4.31Å; A324-I333 WeakPolarHBondContact CA-O 3.26Å; A324-I333 HydrophobicContact CB-CB 4.08Å; A324-I333 WeakPolarHBondContact CB-O 3.49Å
325	G	96.4	Very high	93.4	Very high	20 Å²	20	45.1 Å²	45.1	21%	0.206	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.4	157.2	178.3	0	0	0	0	0	114.7	A327 I333 I335	G325-A327 PolarHBondContact O-N 3.04Å; G325-I333 PolarHBondContact N-O 3.31Å; G325-I333 VanDerWaalsContact N-O 3.14Å; G325-I335 PolarHBondContact O-N 3.21Å
326	V	96.5	Very high	94.3	Very high	60 Å²	60	41.1 Å²	41.1	36%	0.364	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	124.7	175.6	-179.5	0	0	0	0	109.5	N328 I335 N340	V326-N328 PolarHBondContact O-N 3.03Å; V326-I335 CarbonylContact C-O 3.01Å; V326-I335 WeakPolarHBondContact CA-O 3.05Å; V326-I335 HydrophobicContact CG2-CB 4.45Å; V326-N340 HydrophobicContact CG1-CB 3.76Å; V326-N340 HydrophobicContact CG2-CB 4.16Å; V326-N340 WeakPolarHBondContact CG2-OD1 3.17Å
327	A	92.5	Very high	95.2	Very high	35 Å²	35	47.7 Å²	47.7	29%	0.289	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	20	179.2	0	0	0	0	0	115.2	G325 I335 R337	G325-A327 PolarHBondContact O-N 3.04Å; A327-I335 PolarHBondContact N-O 2.8Å; A327-R337 HydrophobicContact CB-CB 4.21Å
328	N	92.4	Very high	95.7	Very high	81 Å²	81	49.4 Å²	49.4	43%	0.433	28%	0.281	S	S	.	.			trans	-91.3	110.8	179.9	-175.4	-5.8	0	0	0	110.1	V326 G330 C331	V326-N328 PolarHBondContact O-N 3.03Å; N328-G330 VanDerWaalsContact C-N 3.33Å; N328-G330 PolarHBondContact OD1-N 2.88Å; N328-C331 HydrophobicContact CB-CB 4.32Å; N328-C331 PolarHBondContact O-SG 3.35Å
329	R	89.4	Confident	96	Very high	107 Å²	107	48.4 Å²	48.4	40%	0.404	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-22.1	178.5	-68	-174.4	175.9	-104.4	-1.4	113.4	E315 C331 R350	E315-R329 HydrophobicContact CB-CB 4.3Å; E315-R329 VanDerWaalsContact OE2-CD 3.29Å; E315-R329 WeakPolarHBondContact OE2-CD 3.5Å; E315-R329 IonicContact OE2-NH1 2.73Å; R329-C331 VanDerWaalsContact C-N 3.34Å; R329-R350 VanDerWaalsContact O-CZ 3.3Å; R329-R350 PolarHBondContact O-NE 2.79Å; R329-R350 PolarHBondContact O-NH2 3.22Å
330	G	90.7	Very high	96.1	Very high	34 Å²	34	50.1 Å²	50.1	35%	0.351	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	5.8	-179.1	0	0	0	0	0	115	N328	N328-G330 VanDerWaalsContact C-N 3.33Å; N328-G330 PolarHBondContact OD1-N 2.88Å
331	C	94.6	Very high	96.2	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.007	28%	0.276	C	S	.	.	S	Bend	trans	-99.6	166.7	179.6	73	0	0	0	0	112.3	S323 N328 R329 I333	S323-C331 VanDerWaalsContact OG-CA 3.28Å; S323-C331 WeakPolarHBondContact OG-CA 3.4Å; S323-C331 WeakPolarHBondContact OG-CB 3.26Å; N328-C331 HydrophobicContact CB-CB 4.32Å; N328-C331 PolarHBondContact O-SG 3.35Å; R329-C331 VanDerWaalsContact C-N 3.34Å; C331-I333 PolarHBondContact SG-O 2.89Å
332	S	97.9	Very high	96.4	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.282	C	S	.	.	S	Bend	trans	-71.1	-45.9	178.6	-47.4	0	0	0	0	112	S317 D321 S323 R350	S317-S332 PolarHBondContact OG-OG 3.2Å; D321-S332 PolarHBondContact O-OG 2.58Å; S323-S332 PolarHBondContact N-OG 3.11Å; S323-S332 VanDerWaalsContact N-OG 3.1Å; S323-S332 WeakPolarHBondContact O-CA 3.47Å; S323-S332 WeakPolarHBondContact O-CB 3.46Å; S323-S332 PolarHBondContact O-N 3.37Å; S323-S332 PolarHBondContact OG-N 3.09Å; S323-S332 VanDerWaalsContact OG-N 3.16Å; S332-R350 PolarHBondContact O-N 2.67Å
333	I	98.6	Very high	96.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	115.9	177.2	-52.7	-60.3	0	0	0	110.6	V284 L287 F322 S323 A324 G325 C331 F347 E348 D349	V284-I333 HydrophobicContact CG2-CG2 3.81Å; L287-I333 HydrophobicContact CD1-CD1 4.12Å; L287-I333 HydrophobicContact CD1-CG1 4.41Å; F322-I333 HydrophobicContact CE2-CD1 4.3Å; F322-I333 HydrophobicContact CE2-CG1 3.59Å; F322-I333 HydrophobicContact CZ-CB 4.37Å; F322-I333 HydrophobicContact CZ-CG1 3.47Å; F322-I333 VanDerWaalsContact CZ-CG1 3.47Å; S323-I333 PolarHBondContact O-N 2.77Å; A324-I333 WeakPolarHBondContact CA-O 3.26Å; A324-I333 HydrophobicContact CB-CB 4.08Å; A324-I333 WeakPolarHBondContact CB-O 3.49Å; G325-I333 PolarHBondContact N-O 3.31Å; G325-I333 VanDerWaalsContact N-O 3.14Å; C331-I333 PolarHBondContact SG-O 2.89Å; I333-F347 HydrophobicContact CG2-CB 3.99Å; I333-F347 HydrophobicContact CG2-CD2 3.59Å; I333-F347 HydrophobicContact CG2-CE2 4.47Å; I333-F347 HydrophobicContact CG2-CG 4.09Å; I333-E348 CarbonylContact C-O 3.58Å; I333-E348 WeakPolarHBondContact CA-O 3.46Å; I333-D349 HydrophobicContact CD1-CB 3.63Å; I333-D349 WeakPolarHBondContact CD1-OD1 3.19Å
334	R	98.5	Very high	96.5	Very high	40 Å²	40	49.7 Å²	49.7	15%	0.151	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	132.7	177.2	-175.3	177.2	80.9	143	3.6	110.3	E348 R350	R334-E348 HydrophobicContact CB-CB 4.29Å; R334-E348 WeakPolarHBondContact CB-OE2 3.44Å; R334-E348 WeakPolarHBondContact CD-OE2 3.37Å; R334-E348 IonicContact CZ-OE1 2.93Å; R334-E348 IonicContact CZ-OE2 2.85Å; R334-E348 PolarHBondContact N-O 2.93Å; R334-E348 IonicContact NE-OE1 3.85Å; R334-E348 PolarHBondContact NE-OE1 2.68Å; R334-E348 IonicContact NE-OE2 2.77Å; R334-E348 PolarHBondContact NE-OE2 3.48Å; R334-E348 IonicContact NH2-OE1 3.55Å; R334-E348 PolarHBondContact NH2-OE1 3.21Å; R334-E348 IonicContact NH2-OE2 2.75Å; R334-E348 PolarHBondContact O-N 2.87Å; R334-R350 HydrophobicContact CB-CG 4.46Å
335	I	98.6	Very high	96.5	Very high	16 Å²	16	48.1 Å²	48.1	8%	0.082	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	116.5	164.7	-59.7	174.4	0	0	0	106.8	I277 I280 G325 V326 A327 V339 N340	I277-I335 HydrophobicContact CD1-CG2 4.12Å; I280-I335 HydrophobicContact CG2-CD1 4.02Å; I280-I335 HydrophobicContact CG2-CG1 4.16Å; G325-I335 PolarHBondContact O-N 3.21Å; V326-I335 CarbonylContact C-O 3.01Å; V326-I335 WeakPolarHBondContact CA-O 3.05Å; V326-I335 HydrophobicContact CG2-CB 4.45Å; A327-I335 PolarHBondContact N-O 2.8Å; I335-V339 HydrophobicContact CG2-CB 4.3Å; I335-V339 HydrophobicContact CG2-CG1 3.97Å; I335-N340 HydrophobicContact CG2-CB 4.29Å
336	P	98.3	Very high	96.6	Very high	13 Å²	13	51.5 Å²	51.5	8%	0.084	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-57.3	147.4	178.5	-23.3	32.2	0	0	0	111.8	G338 V339 N340 Y346	P336-G338 PolarHBondContact O-N 2.6Å; P336-V339 HydrophobicContact CB-CB 4.27Å; P336-V339 HydrophobicContact CB-CG2 3.97Å; P336-V339 HydrophobicContact CG-CB 4.49Å; P336-V339 HydrophobicContact CG-CG2 3.97Å; P336-V339 WeakPolarHBondContact O-CB 3.5Å; P336-V339 PolarHBondContact O-N 2.96Å; P336-N340 PolarHBondContact O-N 3.04Å; P336-N340 VanDerWaalsContact O-N 3.07Å; P336-Y346 WeakPolarHBondContact CD-O 3.13Å; P336-Y346 HydrophobicContact CG-CD2 4.14Å; P336-Y346 HydrophobicContact CG-CE1 4.48Å; P336-Y346 HydrophobicContact CG-CE2 3.49Å; P336-Y346 VanDerWaalsContact CG-CE2 3.49Å
337	R	98.1	Very high	96.7	Very high	155 Å²	155	48.7 Å²	48.7	59%	0.585	26%	0.259	S	S	*	.	H	α-helix	trans	-57.9	-46.6	-179	-176.5	168.3	-68	-85.2	-1.3	112.1	A327 V339 N340 D341	A327-R337 HydrophobicContact CB-CB 4.21Å; R337-V339 VanDerWaalsContact C-N 3.31Å; R337-V339 PolarHBondContact O-N 3.15Å; R337-N340 WeakPolarHBondContact O-CB 3.4Å; R337-N340 PolarHBondContact O-N 3.05Å; R337-D341 WeakPolarHBondContact CG-OD2 3.11Å; R337-D341 WeakPolarHBondContact O-CB 3.26Å; R337-D341 PolarHBondContact O-N 3.27Å
338	G	97.8	Very high	97	Very high	40 Å²	40	47 Å²	47	41%	0.412	25%	0.245	S	C	.	.	H	α-helix	trans	-59.1	-40.3	177.6	0	0	0	0	0	113	P336 N340 D341 D342	P336-G338 PolarHBondContact O-N 2.6Å; G338-N340 PolarHBondContact O-N 3.04Å; G338-D341 PolarHBondContact O-N 2.64Å; G338-D342 VanDerWaalsContact O-CB 3.29Å; G338-D342 WeakPolarHBondContact O-CB 3.31Å; G338-D342 VanDerWaalsContact O-CG 3.27Å; G338-D342 PolarHBondContact O-N 2.6Å
339	V	98.1	Very high	97.3	Very high	10 Å²	10	43.2 Å²	43.2	6%	0.061	23%	0.225	C	C	.	.	H	α-helix	trans	-62.4	-44.1	175.9	170.2	0	0	0	0	111.7	I277 I280 I335 P336 R337 G343 K344 Y346	I277-V339 HydrophobicContact CD1-CG1 4.29Å; I280-V339 HydrophobicContact CD1-CG1 3.57Å; I335-V339 HydrophobicContact CG2-CB 4.3Å; I335-V339 HydrophobicContact CG2-CG1 3.97Å; P336-V339 HydrophobicContact CB-CB 4.27Å; P336-V339 HydrophobicContact CB-CG2 3.97Å; P336-V339 HydrophobicContact CG-CB 4.49Å; P336-V339 HydrophobicContact CG-CG2 3.97Å; P336-V339 WeakPolarHBondContact O-CB 3.5Å; P336-V339 PolarHBondContact O-N 2.96Å; R337-V339 VanDerWaalsContact C-N 3.31Å; R337-V339 PolarHBondContact O-N 3.15Å; V339-G343 PolarHBondContact O-N 3.26Å; V339-K344 WeakPolarHBondContact CG1-O 3.34Å; V339-K344 PolarHBondContact O-N 3.49Å; V339-Y346 WeakPolarHBondContact CG1-O 3.43Å; V339-Y346 HydrophobicContact CG2-CD1 3.88Å; V339-Y346 HydrophobicContact CG2-CE1 3.92Å; V339-Y346 HydrophobicContact CG2-CG 4.39Å
340	N	96.8	Very high	97.8	Very high	66 Å²	66	38.7 Å²	38.7	35%	0.353	21%	0.208	S	C	.	.	H	α-helix	trans	-63.2	-44	176.9	175.5	88.2	0	0	0	111.6	V326 I335 P336 R337 G338 G343	V326-N340 HydrophobicContact CG1-CB 3.76Å; V326-N340 HydrophobicContact CG2-CB 4.16Å; V326-N340 WeakPolarHBondContact CG2-OD1 3.17Å; I335-N340 HydrophobicContact CG2-CB 4.29Å; P336-N340 PolarHBondContact O-N 3.04Å; P336-N340 VanDerWaalsContact O-N 3.07Å; R337-N340 WeakPolarHBondContact O-CB 3.4Å; R337-N340 PolarHBondContact O-N 3.05Å; G338-N340 PolarHBondContact O-N 3.04Å; N340-G343 PolarHBondContact O-N 2.97Å
341	D	97.8	Very high	98.2	Very high	102 Å²	102	37.1 Å²	37.1	55%	0.545	19%	0.191	S	C	.	.	H	α-helix	trans	-70.7	-37.5	-176.7	-62.6	-11.9	0	0	0	111.5	R337 G338 G343	R337-D341 WeakPolarHBondContact CG-OD2 3.11Å; R337-D341 WeakPolarHBondContact O-CB 3.26Å; R337-D341 PolarHBondContact O-N 3.27Å; G338-D341 PolarHBondContact O-N 2.64Å; D341-G343 VanDerWaalsContact C-N 3.33Å
342	D	98.1	Very high	98.4	Very high	123 Å²	123	37 Å²	37	66%	0.658	19%	0.191	S	C	*	.	H	α-helix	trans	-79.5	-14.3	176.6	-68.5	-19.1	0	0	0	113.1	G338 K344	G338-D342 VanDerWaalsContact O-CB 3.29Å; G338-D342 WeakPolarHBondContact O-CB 3.31Å; G338-D342 VanDerWaalsContact O-CG 3.27Å; G338-D342 PolarHBondContact O-N 2.6Å; D342-K344 VanDerWaalsContact C-N 3.27Å; D342-K344 PolarHBondContact O-N 2.93Å
343	G	98.4	Very high	98.4	Very high	18 Å²	18	37 Å²	37	19%	0.186	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	18.2	-179.5	0	0	0	0	0	114.8	G275 G276 I277 V339 N340 D341	G275-G343 CarbonylContact C-O 3.53Å; G276-G343 PolarHBondContact N-O 3.2Å; I277-G343 WeakPolarHBondContact CB-O 3.16Å; I277-G343 WeakPolarHBondContact CG2-O 3.27Å; I277-G343 PolarHBondContact N-O 2.86Å; V339-G343 PolarHBondContact O-N 3.26Å; N340-G343 PolarHBondContact O-N 2.97Å; D341-G343 VanDerWaalsContact C-N 3.33Å
344	K	98.8	Very high	98.4	Very high	74 Å²	74	37 Å²	37	32%	0.322	19%	0.191	S	C	.	.			trans	-164.2	159.8	179.8	66.3	-169.8	-176.4	177.2	0	111.8	R272 E273 D274 V339 D342	R272-K344 WeakPolarHBondContact O-CD 3.44Å; E273-K344 WeakPolarHBondContact O-CB 3.1Å; D274-K344 WeakPolarHBondContact OD1-CD 3.32Å; D274-K344 WeakPolarHBondContact OD1-CE 3.4Å; D274-K344 IonicContact OD1-NZ 2.65Å; D274-K344 PolarHBondContact OD1-NZ 3.41Å; V339-K344 WeakPolarHBondContact CG1-O 3.34Å; V339-K344 PolarHBondContact O-N 3.49Å; D342-K344 VanDerWaalsContact C-N 3.27Å; D342-K344 PolarHBondContact O-N 2.93Å
345	G	98.7	Very high	98.5	Very high	15 Å²	15	35.4 Å²	35.4	16%	0.155	19%	0.185	C	C	.	.	S	Bend	trans	141.4	-114.7	174.9	0	0	0	0	0	113.5	S267 M271	S267-G345 WeakPolarHBondContact CB-O 3.47Å; M271-G345 CarbonylContact C-O 3.55Å; M271-G345 WeakPolarHBondContact CB-O 3.47Å; M271-G345 PolarHBondContact O-N 2.76Å
346	Y	98.8	Very high	98.5	Very high	92 Å²	92	34.7 Å²	34.7	36%	0.361	18%	0.181	S	C	.	.			trans	-144.9	163.3	-171.8	66.4	-88.3	0	0	0	111.9	N265 V266 P336 V339	N265-Y346 HydrophobicContact CB-CD2 3.85Å; N265-Y346 HydrophobicContact CB-CE2 4.04Å; N265-Y346 WeakPolarHBondContact OD1-CE2 3.27Å; V266-Y346 VanDerWaalsContact O-CA 3.26Å; V266-Y346 WeakPolarHBondContact O-CA 3.2Å; V266-Y346 VanDerWaalsContact O-CB 3.23Å; V266-Y346 WeakPolarHBondContact O-CB 3.35Å; P336-Y346 WeakPolarHBondContact CD-O 3.13Å; P336-Y346 HydrophobicContact CG-CD2 4.14Å; P336-Y346 HydrophobicContact CG-CE1 4.48Å; P336-Y346 HydrophobicContact CG-CE2 3.49Å; P336-Y346 VanDerWaalsContact CG-CE2 3.49Å; V339-Y346 WeakPolarHBondContact CG1-O 3.43Å; V339-Y346 HydrophobicContact CG2-CD1 3.88Å; V339-Y346 HydrophobicContact CG2-CE1 3.92Å; V339-Y346 HydrophobicContact CG2-CG 4.39Å
347	F	98.8	Very high	98.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	160.2	165.6	66.4	-90.4	0	0	0	110.9	N265 V266 M271 I280 A283 L287 I333 I369	N265-F347 CarbonylContact C-O 3.59Å; N265-F347 WeakPolarHBondContact CA-O 3.49Å; V266-F347 HydrophobicContact CB-CD1 4.44Å; V266-F347 HydrophobicContact CB-CE1 3.86Å; V266-F347 HydrophobicContact CB-CE2 3.96Å; V266-F347 HydrophobicContact CB-CZ 3.59Å; V266-F347 HydrophobicContact CG1-CE1 4.09Å; V266-F347 HydrophobicContact CG1-CZ 3.92Å; V266-F347 HydrophobicContact CG2-CE2 4.02Å; V266-F347 HydrophobicContact CG2-CZ 4.02Å; V266-F347 PolarHBondContact N-O 3.13Å; V266-F347 PolarHBondContact O-N 3.12Å; M271-F347 HydrophobicContact CE-CE1 4.13Å; M271-F347 HydrophobicContact SD-CD1 4.3Å; M271-F347 HydrophobicContact SD-CE1 4.17Å; I280-F347 HydrophobicContact CG2-CB 3.92Å; I280-F347 HydrophobicContact CG2-CD1 4.19Å; I280-F347 HydrophobicContact CG2-CG 4.48Å; A283-F347 HydrophobicContact CB-CE1 3.97Å; L287-F347 HydrophobicContact CD1-CD2 4.39Å; L287-F347 HydrophobicContact CD1-CE2 3.53Å; L287-F347 HydrophobicContact CD1-CZ 3.67Å; I333-F347 HydrophobicContact CG2-CB 3.99Å; I333-F347 HydrophobicContact CG2-CD2 3.59Å; I333-F347 HydrophobicContact CG2-CE2 4.47Å; I333-F347 HydrophobicContact CG2-CG 4.09Å; F347-I369 HydrophobicContact CE1-CD1 4.45Å; F347-I369 HydrophobicContact CZ-CD1 4.4Å
348	E	98.9	Very high	98.5	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	115.2	179.9	178.3	-165	-85	0	0	109.3	H263 N265 I333 R334 R350	H263-E348 HydrophobicContact CB-CG 4.07Å; N265-E348 WeakPolarHBondContact OD1-CB 3.12Å; I333-E348 CarbonylContact C-O 3.58Å; I333-E348 WeakPolarHBondContact CA-O 3.46Å; R334-E348 HydrophobicContact CB-CB 4.29Å; R334-E348 WeakPolarHBondContact CB-OE2 3.44Å; R334-E348 WeakPolarHBondContact CD-OE2 3.37Å; R334-E348 IonicContact CZ-OE1 2.93Å; R334-E348 IonicContact CZ-OE2 2.85Å; R334-E348 PolarHBondContact N-O 2.93Å; R334-E348 IonicContact NE-OE1 3.85Å; R334-E348 PolarHBondContact NE-OE1 2.68Å; R334-E348 IonicContact NE-OE2 2.77Å; R334-E348 PolarHBondContact NE-OE2 3.48Å; R334-E348 IonicContact NH2-OE1 3.55Å; R334-E348 PolarHBondContact NH2-OE1 3.21Å; R334-E348 IonicContact NH2-OE2 2.75Å; R334-E348 PolarHBondContact O-N 2.87Å; E348-R350 HydrophobicContact CG-CG 3.94Å; E348-R350 IonicContact OE1-NH1 2.67Å; E348-R350 WeakPolarHBondContact OE2-CD 3.44Å; E348-R350 WeakPolarHBondContact OE2-CG 3.47Å; E348-R350 IonicContact OE2-CZ 3.44Å; E348-R350 IonicContact OE2-NE 3.99Å; E348-R350 IonicContact OE2-NH1 3.57Å; E348-R350 PolarHBondContact OE2-NH1 3.46Å
349	D	98.8	Very high	98.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	111.1	169	-166.7	-19	0	0	0	110.1	H263 T264 Y298 I333 R351 P352	H263-D349 WeakPolarHBondContact CA-O 3.46Å; T264-D349 PolarHBondContact N-O 2.83Å; T264-D349 PolarHBondContact O-N 3.11Å; Y298-D349 VanDerWaalsContact CE2-OD2 3.31Å; Y298-D349 WeakPolarHBondContact CE2-OD2 3.42Å; Y298-D349 PolarHBondContact OH-OD2 2.9Å; I333-D349 HydrophobicContact CD1-CB 3.63Å; I333-D349 WeakPolarHBondContact CD1-OD1 3.19Å; D349-R351 VanDerWaalsContact OD1-CB 3.29Å; D349-R351 WeakPolarHBondContact OD1-CB 3.48Å; D349-R351 WeakPolarHBondContact OD1-CG 3.36Å; D349-R351 IonicContact OD1-CZ 2.69Å; D349-R351 PolarHBondContact OD1-N 3.45Å; D349-R351 VanDerWaalsContact OD1-N 3.1Å; D349-R351 IonicContact OD1-NE 2.96Å; D349-R351 PolarHBondContact OD1-NE 3.3Å; D349-R351 IonicContact OD1-NH2 3.35Å; D349-R351 IonicContact OD2-CZ 3.17Å; D349-R351 IonicContact OD2-NE 3.38Å; D349-R351 PolarHBondContact OD2-NE 3.03Å; D349-R351 IonicContact OD2-NH2 2.74Å; D349-R351 PolarHBondContact OD2-NH2 3.08Å; D349-P352 VanDerWaalsContact O-CD 3.27Å; D349-P352 WeakPolarHBondContact O-CD 3.43Å
350	R	98.7	Very high	98.6	Very high	13 Å²	13	26 Å²	26	5%	0.049	14%	0.138	C	C	.	.			trans	-91	-2.3	-174.6	-58.5	177.1	68	92.5	4.8	113.3	R309 R329 S332 R334 E348	R309-R350 PolarHBondContact NH2-O 3.45Å; R329-R350 VanDerWaalsContact O-CZ 3.3Å; R329-R350 PolarHBondContact O-NE 2.79Å; R329-R350 PolarHBondContact O-NH2 3.22Å; S332-R350 PolarHBondContact O-N 2.67Å; R334-R350 HydrophobicContact CB-CG 4.46Å; E348-R350 HydrophobicContact CG-CG 3.94Å; E348-R350 IonicContact OE1-NH1 2.67Å; E348-R350 WeakPolarHBondContact OE2-CD 3.44Å; E348-R350 WeakPolarHBondContact OE2-CG 3.47Å; E348-R350 IonicContact OE2-CZ 3.44Å; E348-R350 IonicContact OE2-NE 3.99Å; E348-R350 IonicContact OE2-NH1 3.57Å; E348-R350 PolarHBondContact OE2-NH1 3.46Å
351	R	98.8	Very high	98.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.121	C	C	.	.			trans	-78.7	-28.3	-175.2	-58.9	173	-74	178	10.9	114.9	H291 I295 Y298 N306 R309 L310 D349 S353	H291-R351 PolarHBondContact ND1-NH1 2.67Å; I295-R351 HydrophobicContact CD1-CB 4.3Å; Y298-R351 HydrophobicContact CD2-CB 3.58Å; Y298-R351 HydrophobicContact CE2-CB 3.71Å; N306-R351 PolarHBondContact ND2-O 3.2Å; R309-R351 PolarHBondContact NH2-O 2.65Å; L310-R351 HydrophobicContact CD1-CB 4.46Å; D349-R351 VanDerWaalsContact OD1-CB 3.29Å; D349-R351 WeakPolarHBondContact OD1-CB 3.48Å; D349-R351 WeakPolarHBondContact OD1-CG 3.36Å; D349-R351 IonicContact OD1-CZ 2.69Å; D349-R351 PolarHBondContact OD1-N 3.45Å; D349-R351 VanDerWaalsContact OD1-N 3.1Å; D349-R351 IonicContact OD1-NE 2.96Å; D349-R351 PolarHBondContact OD1-NE 3.3Å; D349-R351 IonicContact OD1-NH2 3.35Å; D349-R351 IonicContact OD2-CZ 3.17Å; D349-R351 IonicContact OD2-NE 3.38Å; D349-R351 PolarHBondContact OD2-NE 3.03Å; D349-R351 IonicContact OD2-NH2 2.74Å; D349-R351 PolarHBondContact OD2-NH2 3.08Å; R351-S353 PolarHBondContact O-N 3.49Å
352	P	98.8	Very high	98.8	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.095	C	C	.	.			trans	-59.3	137	-179.2	-23.8	33.5	0	0	0	113	A262 Y298 R309 D349 V361	A262-P352 HydrophobicContact CB-CB 4.17Å; A262-P352 PolarHBondContact N-O 3Å; A262-P352 WeakPolarHBondContact O-CB 3.47Å; Y298-P352 HydrophobicContact CD1-CG 4.4Å; Y298-P352 HydrophobicContact CD2-CB 4.31Å; Y298-P352 HydrophobicContact CD2-CG 3.82Å; Y298-P352 HydrophobicContact CE1-CG 4.38Å; Y298-P352 HydrophobicContact CE2-CG 3.75Å; Y298-P352 HydrophobicContact CG-CB 4.28Å; Y298-P352 HydrophobicContact CG-CG 4.13Å; R309-P352 PolarHBondContact NH2-O 3.12Å; R309-P352 VanDerWaalsContact NH2-O 3.08Å; D349-P352 VanDerWaalsContact O-CD 3.27Å; D349-P352 WeakPolarHBondContact O-CD 3.43Å; P352-V361 HydrophobicContact CB-CG2 4.2Å; P352-V361 HydrophobicContact CG-CG1 4.01Å; P352-V361 HydrophobicContact CG-CG2 4.45Å
353	S	98.8	Very high	98.8	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.07	C	C	.	.	B	Isolated β-bridge	trans	-72.8	150.3	173.8	-176.7	0	0	0	0	110.7	P250 A262 Y298 R351 N355 C356	P250-S353 WeakPolarHBondContact CB-OG 3.44Å; P250-S353 VanDerWaalsContact CG-OG 3.3Å; P250-S353 WeakPolarHBondContact CG-OG 3.39Å; A262-S353 VanDerWaalsContact CB-O 3.25Å; A262-S353 WeakPolarHBondContact CB-O 3.28Å; Y298-S353 WeakPolarHBondContact O-CB 3.35Å; Y298-S353 PolarHBondContact O-N 2.79Å; R351-S353 PolarHBondContact O-N 3.49Å; S353-N355 VanDerWaalsContact CB-OD1 3.29Å; S353-N355 WeakPolarHBondContact CB-OD1 3.34Å; S353-N355 PolarHBondContact O-N 3.12Å; S353-N355 VanDerWaalsContact O-N 3.16Å; S353-N355 PolarHBondContact OG-OD1 3.16Å; S353-C356 VanDerWaalsContact O-CB 3.24Å; S353-C356 WeakPolarHBondContact O-CB 3.37Å; S353-C356 PolarHBondContact O-N 3.38Å; S353-C356 PolarHBondContact O-SG 2.7Å
354	S	98.9	Very high	98.8	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-27	175	45.8	0	0	0	0	114.1	Q145 E146 R232 L248 P250 A260	Q145-S354 PolarHBondContact NE2-O 3.34Å; Q145-S354 PolarHBondContact OE1-O 3.13Å; E146-S354 WeakPolarHBondContact O-CB 3.47Å; R232-S354 PolarHBondContact NH2-O 3.03Å; L248-S354 CarbonylContact O-C 3.6Å; L248-S354 WeakPolarHBondContact O-CB 3.31Å; L248-S354 PolarHBondContact O-OG 2.95Å; P250-S354 WeakPolarHBondContact CA-OG 3.21Å; A260-S354 VanDerWaalsContact CB-OG 3.26Å; A260-S354 WeakPolarHBondContact CB-OG 3.43Å; A260-S354 WeakPolarHBondContact O-CB 3.3Å; A260-S354 PolarHBondContact O-N 3.24Å; A260-S354 PolarHBondContact O-OG 3.32Å
355	N	98.8	Very high	98.8	Very high	6 Å²	6	9.5 Å²	9.5	3%	0.032	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	10.3	175.5	72.2	-23.8	0	0	0	114.2	E48 L248 P300 D305 S353	E48-N355 PolarHBondContact OE2-ND2 3.16Å; L248-N355 HydrophobicContact CB-CB 4.19Å; L248-N355 WeakPolarHBondContact O-CB 3.09Å; L248-N355 PolarHBondContact O-N 3.16Å; L248-N355 VanDerWaalsContact O-N 3.11Å; P300-N355 WeakPolarHBondContact CD-O 3.27Å; P300-N355 WeakPolarHBondContact CG-O 3.35Å; D305-N355 PolarHBondContact OD2-ND2 3.31Å; S353-N355 VanDerWaalsContact CB-OD1 3.29Å; S353-N355 WeakPolarHBondContact CB-OD1 3.34Å; S353-N355 PolarHBondContact O-N 3.12Å; S353-N355 VanDerWaalsContact O-N 3.16Å; S353-N355 PolarHBondContact OG-OD1 3.16Å
356	C	98.8	Very high	98.8	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.042	C	C	.	.			trans	-61.9	148.4	-179.9	71.6	0	0	0	0	111.9	R232 Y298 S353 P358 V361	R232-C356 VanDerWaalsContact CZ-O 3.29Å; R232-C356 PolarHBondContact NH1-O 3.14Å; R232-C356 PolarHBondContact NH2-O 2.92Å; Y298-C356 VanDerWaalsContact O-CB 3.31Å; Y298-C356 WeakPolarHBondContact O-CB 3.31Å; S353-C356 VanDerWaalsContact O-CB 3.24Å; S353-C356 WeakPolarHBondContact O-CB 3.37Å; S353-C356 PolarHBondContact O-N 3.38Å; S353-C356 PolarHBondContact O-SG 2.7Å; C356-P358 WeakPolarHBondContact O-CD 3.37Å; C356-V361 HydrophobicContact CB-CG2 3.79Å
357	D	98.9	Very high	98.8	Very high	10 Å²	10	7.3 Å²	7.3	5%	0.053	4%	0.036	C	C	.	.			trans	-76.2	115.4	162.9	-178.5	-11.1	0	0	0	109.1	K123 W229 Y359 S360 V361	K123-D357 WeakPolarHBondContact CB-OD2 3.07Å; K123-D357 WeakPolarHBondContact CG-OD2 3.18Å; W229-D357 HydrophobicContact CZ2-CB 4.08Å; W229-D357 PolarHBondContact NE1-OD1 3.04Å; D357-Y359 PolarHBondContact O-N 3.5Å; D357-Y359 WeakPolarHBondContact OD1-CB 3.5Å; D357-Y359 VanDerWaalsContact OD1-CD2 3.25Å; D357-Y359 WeakPolarHBondContact OD1-CD2 3.45Å; D357-Y359 PolarHBondContact OD1-N 3.49Å; D357-S360 WeakPolarHBondContact O-CB 3.48Å; D357-S360 PolarHBondContact O-N 3.46Å; D357-V361 PolarHBondContact O-N 3.4Å; D357-V361 VanDerWaalsContact O-N 3.14Å
358	P	98.9	Very high	98.8	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-57.2	-30	178.7	23.2	-35.3	0	0	0	113.6	I143 L228 W229 C356 S360 V361 V362	I143-P358 HydrophobicContact CD1-CB 3.98Å; L228-P358 HydrophobicContact CB-CB 4.46Å; L228-P358 HydrophobicContact CB-CG 4.23Å; L228-P358 HydrophobicContact CD2-CB 3.85Å; L228-P358 HydrophobicContact CD2-CG 3.98Å; L228-P358 HydrophobicContact CG-CG 4.4Å; W229-P358 HydrophobicContact CG-CG 4.31Å; C356-P358 WeakPolarHBondContact O-CD 3.37Å; P358-S360 VanDerWaalsContact C-N 3.34Å; P358-V361 PolarHBondContact O-N 3.37Å; P358-V362 WeakPolarHBondContact O-CB 3.41Å; P358-V362 WeakPolarHBondContact O-CG2 3.42Å; P358-V362 PolarHBondContact O-N 3.27Å
359	Y	98.9	Very high	98.8	Very high	2 Å²	2	8 Å²	8	1%	0.008	4%	0.039	C	C	.	.	H	α-helix	trans	-64.7	-41.5	175.8	-60.9	-55.8	0	0	0	111.4	I43 M108 R124 C127 I222 D226 W229 D357 E363	I43-Y359 HydrophobicContact CD1-CE2 4.23Å; M108-Y359 HydrophobicContact CE-CE2 4.49Å; R124-Y359 HydrophobicContact CB-CD1 4.11Å; R124-Y359 HydrophobicContact CB-CD2 3.79Å; R124-Y359 HydrophobicContact CB-CE1 4.03Å; R124-Y359 HydrophobicContact CB-CE2 3.69Å; R124-Y359 HydrophobicContact CB-CG 4Å; R124-Y359 WeakPolarHBondContact CD-OH 3.23Å; R124-Y359 HydrophobicContact CG-CD1 4.03Å; R124-Y359 HydrophobicContact CG-CD2 4.44Å; R124-Y359 HydrophobicContact CG-CE1 3.62Å; R124-Y359 HydrophobicContact CG-CE2 4.07Å; R124-Y359 HydrophobicContact CG-CG 4.43Å; C127-Y359 HydrophobicContact CB-CD1 4.4Å; C127-Y359 PolarHBondContact SG-O 2.82Å; C127-Y359 VanDerWaalsContact SG-O 3.38Å; I222-Y359 HydrophobicContact CD1-CD1 3.69Å; I222-Y359 HydrophobicContact CD1-CE1 3.79Å; I222-Y359 HydrophobicContact CG1-CE1 4.26Å; D226-Y359 WeakPolarHBondContact CA-OH 3.43Å; D226-Y359 PolarHBondContact N-OH 2.73Å; D226-Y359 PolarHBondContact OD1-OH 3.16Å; W229-Y359 AromaticContact CD1-CD2 3.85Å; W229-Y359 AromaticContact CD1-CE2 3.29Å; W229-Y359 AromaticContact CD1-CZ 3.85Å; W229-Y359 HydrophobicContact CG-CE2 4.46Å; W229-Y359 AromaticContact NE1-CD2 3.59Å; W229-Y359 AromaticContact NE1-CE2 3.49Å; D357-Y359 PolarHBondContact O-N 3.5Å; D357-Y359 WeakPolarHBondContact OD1-CB 3.5Å; D357-Y359 VanDerWaalsContact OD1-CD2 3.25Å; D357-Y359 WeakPolarHBondContact OD1-CD2 3.45Å; D357-Y359 PolarHBondContact OD1-N 3.49Å; Y359-E363 WeakPolarHBondContact O-CB 2.92Å; Y359-E363 PolarHBondContact O-N 3.43Å
360	S	98.9	Very high	98.8	Very high	24 Å²	24	9.2 Å²	9.2	17%	0.168	5%	0.047	C	C	.	.	H	α-helix	trans	-65.9	-40.6	177.3	-67.4	0	0	0	0	111.8	D357 P358 A364	D357-S360 WeakPolarHBondContact O-CB 3.48Å; D357-S360 PolarHBondContact O-N 3.46Å; P358-S360 VanDerWaalsContact C-N 3.34Å; S360-A364 VanDerWaalsContact O-CB 3.3Å; S360-A364 WeakPolarHBondContact O-CB 3.44Å; S360-A364 PolarHBondContact O-N 3.35Å
361	V	98.9	Very high	98.7	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-63.9	-51.4	177	175.8	0	0	0	0	111.1	T264 Y298 P352 C356 D357 P358 E363 A364 I365	T264-V361 HydrophobicContact CG2-CG1 4.17Å; Y298-V361 HydrophobicContact CD1-CB 4.39Å; Y298-V361 HydrophobicContact CD1-CG1 4.37Å; Y298-V361 HydrophobicContact CD1-CG2 3.8Å; Y298-V361 HydrophobicContact CE1-CB 4.2Å; Y298-V361 HydrophobicContact CE1-CG1 3.84Å; Y298-V361 HydrophobicContact CE1-CG2 4.1Å; P352-V361 HydrophobicContact CB-CG2 4.2Å; P352-V361 HydrophobicContact CG-CG1 4.01Å; P352-V361 HydrophobicContact CG-CG2 4.45Å; C356-V361 HydrophobicContact CB-CG2 3.79Å; D357-V361 PolarHBondContact O-N 3.4Å; D357-V361 VanDerWaalsContact O-N 3.14Å; P358-V361 PolarHBondContact O-N 3.37Å; V361-E363 PolarHBondContact O-N 3.15Å; V361-A364 PolarHBondContact O-N 3.17Å; V361-I365 HydrophobicContact CG1-CD1 3.79Å; V361-I365 VanDerWaalsContact O-CG1 3.29Å; V361-I365 WeakPolarHBondContact O-CG1 3.09Å; V361-I365 PolarHBondContact O-N 2.92Å
362	V	98.8	Very high	98.5	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.006	9%	0.087	C	C	.	.	H	α-helix	trans	-60	-48.2	179.6	169.2	0	0	0	0	110.9	F141 I224 P358 A364 I365 L366	F141-V362 HydrophobicContact CD1-CG2 4.1Å; F141-V362 HydrophobicContact CD2-CG1 4.35Å; F141-V362 HydrophobicContact CD2-CG2 4.4Å; F141-V362 HydrophobicContact CE1-CG1 4.36Å; F141-V362 HydrophobicContact CE1-CG2 4.23Å; F141-V362 HydrophobicContact CE2-CG1 3.82Å; F141-V362 HydrophobicContact CG-CG2 4.19Å; F141-V362 HydrophobicContact CZ-CB 4.48Å; F141-V362 HydrophobicContact CZ-CG1 3.83Å; F141-V362 HydrophobicContact CZ-CG2 4.46Å; I224-V362 HydrophobicContact CG2-CG2 3.38Å; P358-V362 WeakPolarHBondContact O-CB 3.41Å; P358-V362 WeakPolarHBondContact O-CG2 3.42Å; P358-V362 PolarHBondContact O-N 3.27Å; V362-A364 PolarHBondContact O-N 2.74Å; V362-I365 PolarHBondContact O-N 2.8Å; V362-L366 HydrophobicContact CG1-CD1 3.84Å; V362-L366 HydrophobicContact CG1-CG 4.31Å; V362-L366 WeakPolarHBondContact O-CG 3.26Å; V362-L366 PolarHBondContact O-N 3.26Å
363	E	98.9	Very high	98.1	Very high	27 Å²	27	21.8 Å²	21.8	13%	0.126	11%	0.112	C	C	.	.	H	α-helix	trans	-58.6	-48.8	179.4	-173.3	179.4	157	0	0	111.3	T126 C127 V130 Y359 V361 I365 L366 R367	T126-E363 VanDerWaalsContact CB-OE2 3.27Å; T126-E363 WeakPolarHBondContact CB-OE2 3.18Å; T126-E363 PolarHBondContact OG1-OE2 3.3Å; C127-E363 WeakPolarHBondContact CA-OE2 3.36Å; C127-E363 HydrophobicContact CB-CB 4.06Å; C127-E363 PolarHBondContact N-OE2 3.42Å; V130-E363 HydrophobicContact CB-CG 4.16Å; V130-E363 HydrophobicContact CG1-CG 4.39Å; V130-E363 HydrophobicContact CG2-CG 3.88Å; Y359-E363 WeakPolarHBondContact O-CB 2.92Å; Y359-E363 PolarHBondContact O-N 3.43Å; V361-E363 PolarHBondContact O-N 3.15Å; E363-I365 VanDerWaalsContact C-N 3.3Å; E363-I365 PolarHBondContact O-N 3.36Å; E363-L366 PolarHBondContact O-N 2.76Å; E363-R367 HydrophobicContact CG-CG 4.4Å; E363-R367 WeakPolarHBondContact O-CB 3.37Å; E363-R367 VanDerWaalsContact O-CG 3.31Å; E363-R367 WeakPolarHBondContact O-CG 3.36Å; E363-R367 PolarHBondContact O-N 3.16Å; E363-R367 IonicContact OE1-CZ 3.36Å; E363-R367 IonicContact OE1-NE 2.77Å; E363-R367 PolarHBondContact OE1-NE 2.66Å; E363-R367 IonicContact OE1-NH2 2.75Å; E363-R367 PolarHBondContact OE1-NH2 3.46Å
364	A	98.8	Very high	98.1	Very high	8 Å²	8	22.9 Å²	22.9	7%	0.066	12%	0.117	C	C	.	.	H	α-helix	trans	-60.4	-40.3	179.9	0	0	0	0	0	112.2	H294 A297 S360 V361 V362 T368	H294-A364 PolarHBondContact CE1-O 2.72Å; A297-A364 HydrophobicContact CB-CB 3.86Å; S360-A364 VanDerWaalsContact O-CB 3.3Å; S360-A364 WeakPolarHBondContact O-CB 3.44Å; S360-A364 PolarHBondContact O-N 3.35Å; V361-A364 PolarHBondContact O-N 3.17Å; V362-A364 PolarHBondContact O-N 2.74Å; A364-T368 PolarHBondContact O-N 2.99Å; A364-T368 PolarHBondContact O-OG1 3.49Å
365	I	98.8	Very high	98.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-66.1	-50.3	177.4	-68.3	170.5	0	0	0	110.9	F141 T264 V266 Y298 V361 V362 E363 R367 T368 I369	F141-I365 HydrophobicContact CE1-CB 4.34Å; F141-I365 HydrophobicContact CE1-CD1 4.45Å; F141-I365 HydrophobicContact CE1-CG2 4.03Å; T264-I365 HydrophobicContact CG2-CD1 3.92Å; V266-I365 HydrophobicContact CG1-CG2 3.91Å; V266-I365 HydrophobicContact CG2-CD1 3.96Å; V266-I365 HydrophobicContact CG2-CG2 4.13Å; Y298-I365 WeakPolarHBondContact OH-CG1 3.15Å; V361-I365 HydrophobicContact CG1-CD1 3.79Å; V361-I365 VanDerWaalsContact O-CG1 3.29Å; V361-I365 WeakPolarHBondContact O-CG1 3.09Å; V361-I365 PolarHBondContact O-N 2.92Å; V362-I365 PolarHBondContact O-N 2.8Å; E363-I365 VanDerWaalsContact C-N 3.3Å; E363-I365 PolarHBondContact O-N 3.36Å; I365-R367 PolarHBondContact O-N 3.45Å; I365-T368 PolarHBondContact O-N 3.3Å; I365-I369 HydrophobicContact CG2-CD1 3.77Å; I365-I369 HydrophobicContact CG2-CG1 4.28Å; I365-I369 HydrophobicContact CG2-CG2 4.48Å; I365-I369 WeakPolarHBondContact O-CG1 3.31Å; I365-I369 PolarHBondContact O-N 3.39Å
366	L	98.8	Very high	98	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61.5	-43.5	-179.1	-70.6	178.7	0	0	0	112.3	V130 A131 C134 P139 F141 V362 E363 T368 I369 C370 L371	V130-L366 HydrophobicContact CG1-CB 3.65Å; V130-L366 HydrophobicContact CG1-CD1 4.26Å; A131-L366 HydrophobicContact CB-CD1 4.09Å; C134-L366 HydrophobicContact CB-CD2 4.2Å; P139-L366 HydrophobicContact CB-CD2 3.64Å; P139-L366 HydrophobicContact CG-CD2 3.81Å; F141-L366 HydrophobicContact CE2-CD1 4.46Å; F141-L366 HydrophobicContact CE2-CD2 4.12Å; F141-L366 HydrophobicContact CE2-CG 4.35Å; F141-L366 HydrophobicContact CZ-CD1 4.39Å; F141-L366 HydrophobicContact CZ-CD2 3.72Å; F141-L366 HydrophobicContact CZ-CG 3.84Å; V362-L366 HydrophobicContact CG1-CD1 3.84Å; V362-L366 HydrophobicContact CG1-CG 4.31Å; V362-L366 WeakPolarHBondContact O-CG 3.26Å; V362-L366 PolarHBondContact O-N 3.26Å; E363-L366 PolarHBondContact O-N 2.76Å; L366-T368 VanDerWaalsContact C-N 3.29Å; L366-T368 PolarHBondContact O-N 3.34Å; L366-I369 PolarHBondContact O-N 3.01Å; L366-C370 WeakPolarHBondContact O-CA 3.47Å; L366-C370 VanDerWaalsContact O-CB 3.26Å; L366-C370 WeakPolarHBondContact O-CB 3.27Å; L366-C370 PolarHBondContact O-N 2.94Å; L366-L371 PolarHBondContact O-N 3.32Å
367	R	98.8	Very high	98	Very high	62 Å²	62	26.5 Å²	26.5	23%	0.234	14%	0.136	C	C	.	.	H	α-helix	trans	-55.3	-46.7	174.8	-74.8	-177.8	-178.5	-74.7	0.7	111.5	V130 E363 I365 L371 D372 E373	V130-R367 HydrophobicContact CG1-CG 4.02Å; V130-R367 HydrophobicContact CG2-CG 4.18Å; V130-R367 VanDerWaalsContact CG2-NH2 3.28Å; E363-R367 HydrophobicContact CG-CG 4.4Å; E363-R367 WeakPolarHBondContact O-CB 3.37Å; E363-R367 VanDerWaalsContact O-CG 3.31Å; E363-R367 WeakPolarHBondContact O-CG 3.36Å; E363-R367 PolarHBondContact O-N 3.16Å; E363-R367 IonicContact OE1-CZ 3.36Å; E363-R367 IonicContact OE1-NE 2.77Å; E363-R367 PolarHBondContact OE1-NE 2.66Å; E363-R367 IonicContact OE1-NH2 2.75Å; E363-R367 PolarHBondContact OE1-NH2 3.46Å; I365-R367 PolarHBondContact O-N 3.45Å; R367-L371 HydrophobicContact CG-CD1 4.47Å; R367-L371 CarbonylContact O-C 3.4Å; R367-L371 WeakPolarHBondContact O-CB 3.5Å; R367-L371 PolarHBondContact O-N 2.84Å; R367-D372 PolarHBondContact O-N 2.97Å; R367-E373 HydrophobicContact CB-CB 4.25Å; R367-E373 VanDerWaalsContact CD-OE2 3.28Å; R367-E373 WeakPolarHBondContact CD-OE2 3.33Å; R367-E373 WeakPolarHBondContact CG-OE2 3.3Å; R367-E373 IonicContact CZ-OE2 3.69Å; R367-E373 IonicContact NE-OE2 3.53Å; R367-E373 IonicContact NH1-OE1 2.81Å; R367-E373 PolarHBondContact NH1-OE1 2.96Å; R367-E373 IonicContact NH1-OE2 2.7Å; R367-E373 PolarHBondContact NH1-OE2 3.3Å; R367-E373 PolarHBondContact O-N 3.26Å; R367-E373 VanDerWaalsContact O-N 3.15Å
368	T	98.8	Very high	97.9	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.012	14%	0.141	C	C	.	.	H	α-helix	trans	-69.8	-49.4	-179.2	-56.7	0	0	0	0	112.8	K286 L287 C290 R293 H294 A364 I365 L366	K286-T368 HydrophobicContact CB-CG2 3.89Å; K286-T368 WeakPolarHBondContact CD-O 3.17Å; L287-T368 HydrophobicContact CD2-CG2 3.92Å; L287-T368 HydrophobicContact CG-CG2 4.34Å; C290-T368 HydrophobicContact CB-CG2 4.32Å; R293-T368 PolarHBondContact NH2-OG1 2.91Å; H294-T368 PolarHBondContact NE2-OG1 2.64Å; A364-T368 PolarHBondContact O-N 2.99Å; A364-T368 PolarHBondContact O-OG1 3.49Å; I365-T368 PolarHBondContact O-N 3.3Å; L366-T368 VanDerWaalsContact C-N 3.29Å; L366-T368 PolarHBondContact O-N 3.34Å
369	I	98.4	Very high	97.9	Very high	14 Å²	14	29.4 Å²	29.4	7%	0.072	15%	0.15	C	C	.	.	H	α-helix	trans	-89.8	-31	-167.3	77.1	178.7	0	0	0	113.1	V266 T268 M271 A283 K286 L287 F347 I365 L366	V266-I369 HydrophobicContact CG1-CD1 3.79Å; T268-I369 HydrophobicContact CG2-CD1 4.49Å; M271-I369 HydrophobicContact CE-CD1 4.31Å; A283-I369 HydrophobicContact CB-CB 4.08Å; A283-I369 HydrophobicContact CB-CG2 3.9Å; K286-I369 PolarHBondContact NZ-O 3.48Å; L287-I369 HydrophobicContact CD1-CG2 4.36Å; L287-I369 HydrophobicContact CD2-CG2 4.1Å; L287-I369 HydrophobicContact CG-CG2 4.01Å; F347-I369 HydrophobicContact CE1-CD1 4.45Å; F347-I369 HydrophobicContact CZ-CD1 4.4Å; I365-I369 HydrophobicContact CG2-CD1 3.77Å; I365-I369 HydrophobicContact CG2-CG1 4.28Å; I365-I369 HydrophobicContact CG2-CG2 4.48Å; I365-I369 WeakPolarHBondContact O-CG1 3.31Å; I365-I369 PolarHBondContact O-N 3.39Å; L366-I369 PolarHBondContact O-N 3.01Å
370	C	97.8	Very high	97.8	Very high	25 Å²	25	31.4 Å²	31.4	17%	0.169	16%	0.161	C	C	.	.	H	α-helix	trans	-103.3	-31.5	-176.4	-60.1	0	0	0	0	113.6	C134 E137 L366	C134-C370 HydrophobicContact CB-CB 4.02Å; C134-C370 VanDerWaalsContact SG-CB 3.55Å; E137-C370 HydrophobicContact CG-CB 4.26Å; L366-C370 WeakPolarHBondContact O-CA 3.47Å; L366-C370 VanDerWaalsContact O-CB 3.26Å; L366-C370 WeakPolarHBondContact O-CB 3.27Å; L366-C370 PolarHBondContact O-N 2.94Å
371	L	97.8	Very high	97.7	Very high	52 Å²	52	31.9 Å²	31.9	27%	0.272	16%	0.16	S	C	.	.	S	Bend	trans	-106.8	-5.6	-175.6	-55.6	-178.1	0	0	0	114.6	V130 K133 L366 R367 E373	V130-L371 HydrophobicContact CG1-CD1 4.06Å; K133-L371 HydrophobicContact CB-CD2 4.37Å; L366-L371 PolarHBondContact O-N 3.32Å; R367-L371 HydrophobicContact CG-CD1 4.47Å; R367-L371 CarbonylContact O-C 3.4Å; R367-L371 WeakPolarHBondContact O-CB 3.5Å; R367-L371 PolarHBondContact O-N 2.84Å; L371-E373 HydrophobicContact CB-CG 3.98Å; L371-E373 PolarHBondContact O-N 2.83Å
372	D	93.4	Very high	97.6	Very high	113 Å²	113	34.6 Å²	34.6	60%	0.604	17%	0.173	S	C	*	.			trans	57.1	30.6	-178.7	-71.9	-63.7	0	0	0	113.9	K286 R367	K286-D372 VanDerWaalsContact CD-OD1 3.29Å; K286-D372 WeakPolarHBondContact CD-OD1 3.32Å; K286-D372 WeakPolarHBondContact CE-OD1 3.3Å; K286-D372 IonicContact NZ-OD1 3.67Å; K286-D372 PolarHBondContact NZ-OD1 2.91Å; K286-D372 IonicContact NZ-OD2 3.55Å; K286-D372 PolarHBondContact NZ-OD2 3.39Å; K286-D372 VanDerWaalsContact NZ-OD2 3.11Å; R367-D372 PolarHBondContact O-N 2.97Å
373	E	92.4	Very high	97.5	Very high	111 Å²	111	37.6 Å²	37.6	52%	0.519	19%	0.189	S	C	.	.			trans	-83.7	0	177.4	-67.6	-179	-174.9	0	0	113.5	R293 R367 L371	R293-E373 PolarHBondContact NH1-O 3.39Å; R293-E373 VanDerWaalsContact NH1-O 3.08Å; R293-E373 PolarHBondContact NH1-OXT 2.85Å; R293-E373 PolarHBondContact NH2-O 3.08Å; R367-E373 HydrophobicContact CB-CB 4.25Å; R367-E373 VanDerWaalsContact CD-OE2 3.28Å; R367-E373 WeakPolarHBondContact CD-OE2 3.33Å; R367-E373 WeakPolarHBondContact CG-OE2 3.3Å; R367-E373 IonicContact CZ-OE2 3.69Å; R367-E373 IonicContact NE-OE2 3.53Å; R367-E373 IonicContact NH1-OE1 2.81Å; R367-E373 PolarHBondContact NH1-OE1 2.96Å; R367-E373 IonicContact NH1-OE2 2.7Å; R367-E373 PolarHBondContact NH1-OE2 3.3Å; R367-E373 PolarHBondContact O-N 3.26Å; R367-E373 VanDerWaalsContact O-N 3.15Å; L371-E373 HydrophobicContact CB-CG 3.98Å; L371-E373 PolarHBondContact O-N 2.83Å

Retrieved 373 of 373 residues in 450.8 ms (Link to these results)

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