A0A077YZ90_TRITR Loading...

S-adenosylmethionine synthase

Catalyzes the formation of S-adenosylmethionine from methionine and ATP.

AlphaFold DB , UniProt , Accession A0A077YZ90, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 418 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	36.1	Very low	50.3	Low	242 Å²	242	116.8 Å²	116.8	100%	1.192	62%	0.62	S	S	*	*				0	100.6	0	-95.3	175.8	170.3	0	0	107.2
2	V	34.8	Very low	51.2	Low	125 Å²	125	108 Å²	108	76%	0.758	57%	0.573	S	S	*	*			trans	-79.2	119.2	168.2	-177.6	0	0	0	0	105.4
3	L	36.3	Very low	51.9	Low	132 Å²	132	106.6 Å²	106.6	69%	0.691	57%	0.566	S	S	*	*			trans	-61.1	141.4	175.3	-75.2	165.8	0	0	0	108.7	N5 S6	L3-N5 PolarHBondContact O-N 3.25Å; L3-S6 PolarHBondContact O-N 3.17Å; L3-S6 VanDerWaalsContact O-N 3.07Å
4	P	44.4	Very low	52.3	Low	126 Å²	126	110.9 Å²	110.9	82%	0.818	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.6	-8	-168.7	-21.6	32	0	0	0	116.2
5	N	50.2	Low	52.6	Low	147 Å²	147	110.3 Å²	110.3	79%	0.786	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.8	13.3	-179.2	-70.1	-14.3	0	0	0	113.8	L3 H7	L3-N5 PolarHBondContact O-N 3.25Å; N5-H7 PolarHBondContact O-N 3.08Å
6	S	52.5	Low	52.8	Low	44 Å²	44	105.7 Å²	105.7	31%	0.308	55%	0.549	S	S	.	.			trans	-81.7	104.3	176.2	173.6	0	0	0	0	110	L3 Y8	L3-S6 PolarHBondContact O-N 3.17Å; L3-S6 VanDerWaalsContact O-N 3.07Å; S6-Y8 PolarHBondContact O-N 2.84Å; S6-Y8 PolarHBondContact OG-O 3.02Å
7	H	60.8	Low	52.8	Low	143 Å²	143	104.4 Å²	104.4	66%	0.662	56%	0.557	S	S	*	*			trans	-70.9	-10.2	170.1	-58.9	-66	0	0	0	112.9	N5	N5-H7 PolarHBondContact O-N 3.08Å
8	Y	52	Low	52.8	Low	54 Å²	54	109.3 Å²	109.3	21%	0.212	58%	0.576	C	S	.	*			trans	-79.3	119.7	179.5	-178.5	-125.4	0	0	0	111.5	S6 A10 P336 L339	S6-Y8 PolarHBondContact O-N 2.84Å; S6-Y8 PolarHBondContact OG-O 3.02Å; Y8-A10 HydrophobicContact CD1-CB 4.49Å; Y8-A10 HydrophobicContact CE1-CB 3.75Å; Y8-A10 HydrophobicContact CE2-CB 4.24Å; Y8-P336 HydrophobicContact CD2-CB 4.24Å; Y8-P336 WeakPolarHBondContact CD2-O 3.28Å; Y8-P336 HydrophobicContact CE2-CB 3.99Å; Y8-P336 HydrophobicContact CE2-CG 4.5Å; Y8-L339 HydrophobicContact CE2-CB 4.04Å; Y8-L339 WeakPolarHBondContact OH-CB 3.42Å; Y8-L339 WeakPolarHBondContact OH-CD2 3.46Å
9	V	61.8	Low	52.9	Low	100 Å²	100	104.8 Å²	104.8	61%	0.606	56%	0.555	S	S	*	*	B	Isolated β-bridge	trans	-117.2	105.9	170.9	-176.7	0	0	0	0	108.2	V337 S338	V9-V337 PolarHBondContact N-O 3.32Å; V9-S338 WeakPolarHBondContact O-CA 3.33Å
10	A	61.1	Low	53.2	Low	25 Å²	25	101.7 Å²	101.7	21%	0.207	55%	0.549	C	S	.	.			trans	-105.2	115.2	169.4	0	0	0	0	0	108.5	Y8 L355	Y8-A10 HydrophobicContact CD1-CB 4.49Å; Y8-A10 HydrophobicContact CE1-CB 3.75Å; Y8-A10 HydrophobicContact CE2-CB 4.24Å; A10-L355 HydrophobicContact CB-CD2 4.08Å
11	Y	63.3	Low	53.9	Low	147 Å²	147	99.8 Å²	99.8	58%	0.576	54%	0.537	S	S	*	.			trans	-142.9	124.1	-175.3	-170	-103.7	0	0	0	109.7	D13	Y11-D13 HydrophobicContact CE1-CB 3.9Å; Y11-D13 HydrophobicContact CE2-CB 4.35Å; Y11-D13 WeakPolarHBondContact CE2-OD2 3.46Å; Y11-D13 WeakPolarHBondContact OH-CB 3.43Å; Y11-D13 PolarHBondContact OH-OD2 3.1Å
12	N	61.3	Low	55.4	Low	11 Å²	11	91.6 Å²	91.6	6%	0.059	50%	0.498	C	S	.	.			trans	-142.8	71.7	179.9	-90.3	-4.4	0	0	0	108.8	T340 I341 E351 L355	N12-T340 WeakPolarHBondContact OD1-CA 3.45Å; N12-T340 WeakPolarHBondContact OD1-CG2 3.36Å; N12-I341 WeakPolarHBondContact ND2-CB 3.48Å; N12-I341 PolarHBondContact ND2-N 3.06Å; N12-I341 VanDerWaalsContact ND2-N 3.12Å; N12-I341 PolarHBondContact ND2-O 2.96Å; N12-I341 PolarHBondContact OD1-N 3.39Å; N12-E351 HydrophobicContact CB-CB 3.83Å; N12-E351 PolarHBondContact ND2-O 3.17Å; N12-E351 VanDerWaalsContact ND2-O 3.13Å; N12-L355 HydrophobicContact CB-CD2 4.14Å
13	D	60.2	Low	57.2	Low	90 Å²	90	93.4 Å²	93.4	48%	0.481	50%	0.503	S	S	.	.			trans	-94	123.7	173.1	-87.9	-13.2	0	0	0	111.3	Y11 Y15	Y11-D13 HydrophobicContact CE1-CB 3.9Å; Y11-D13 HydrophobicContact CE2-CB 4.35Å; Y11-D13 WeakPolarHBondContact CE2-OD2 3.46Å; Y11-D13 WeakPolarHBondContact OH-CB 3.43Å; Y11-D13 PolarHBondContact OH-OD2 3.1Å; D13-Y15 PolarHBondContact O-N 3.13Å
14	H	57.8	Low	58.9	Low	166 Å²	166	91 Å²	91	77%	0.769	49%	0.49	S	S	*	.	S	Bend	trans	49.8	43.6	161.3	-70.4	-60.1	0	0	0	119
15	Y	56.5	Low	60.9	Low	103 Å²	103	87.5 Å²	87.5	40%	0.404	48%	0.476	S	S	.	.			trans	-70.9	-37.2	174.6	-173.6	-98.1	0	0	0	113.9	D13 S19 F342	D13-Y15 PolarHBondContact O-N 3.13Å; Y15-S19 PolarHBondContact O-OG 2.71Å; Y15-F342 HydrophobicContact CD1-CD1 4.02Å; Y15-F342 AromaticContact CD2-CD1 3.95Å; Y15-F342 HydrophobicContact CD2-CD1 3.95Å; Y15-F342 HydrophobicContact CD2-CE1 4.05Å; Y15-F342 AromaticContact CE1-CD1 3.95Å; Y15-F342 HydrophobicContact CE1-CD1 3.95Å; Y15-F342 AromaticContact CE2-CD1 3.88Å; Y15-F342 HydrophobicContact CE2-CD1 3.88Å; Y15-F342 AromaticContact CE2-CE1 3.99Å; Y15-F342 HydrophobicContact CE2-CE1 3.99Å; Y15-F342 HydrophobicContact CG-CD1 4.02Å; Y15-F342 AromaticContact CZ-CD1 3.88Å
16	S	56	Low	63	Low	36 Å²	36	85.1 Å²	85.1	25%	0.252	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-23.2	-168.3	38.3	0	0	0	0	116.1	E18 S19 E351	S16-E18 VanDerWaalsContact C-N 3.26Å; S16-E18 PolarHBondContact O-N 3.15Å; S16-S19 WeakPolarHBondContact CA-OG 3.3Å; S16-E351 WeakPolarHBondContact CB-OE1 3.46Å; S16-E351 WeakPolarHBondContact CB-OE2 3.4Å; S16-E351 PolarHBondContact N-OE2 2.66Å; S16-E351 PolarHBondContact OG-OE1 2.8Å; S16-E351 PolarHBondContact OG-OE2 2.95Å
17	A	52.9	Low	65	Low	84 Å²	84	85 Å²	85	69%	0.694	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-22.3	-171.8	0	0	0	0	0	114.1
18	E	51.5	Low	66.8	Low	192 Å²	192	82.9 Å²	82.9	90%	0.897	45%	0.451	S	S	*	.	S	Bend	trans	-122.2	0.5	-175.5	-62.3	-174	175	0	0	113.7	S16	S16-E18 VanDerWaalsContact C-N 3.26Å; S16-E18 PolarHBondContact O-N 3.15Å
19	S	55.7	Low	69	Low	24 Å²	24	82.6 Å²	82.6	17%	0.168	45%	0.451	C	S	.	.			trans	-102.1	23.5	-172.6	48.2	0	0	0	0	114.1	Y15 S16 Q21	Y15-S19 PolarHBondContact O-OG 2.71Å; S16-S19 WeakPolarHBondContact CA-OG 3.3Å; S19-Q21 WeakPolarHBondContact O-CG 3.46Å; S19-Q21 PolarHBondContact O-N 3.08Å
20	G	59.2	Low	70.7	Confident	43 Å²	43	80.7 Å²	80.7	44%	0.443	44%	0.44	S	S	.	.			trans	-61.6	96	167.2	0	0	0	0	0	109.7	D22	G20-D22 PolarHBondContact O-N 3.48Å
21	Q	67	Low	72.5	Confident	62 Å²	62	79.7 Å²	79.7	29%	0.29	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-72.9	15.2	177.5	-55.7	-169.4	-66.4	0	0	112.3	S19 D23 I24 F199	S19-Q21 WeakPolarHBondContact O-CG 3.46Å; S19-Q21 PolarHBondContact O-N 3.08Å; Q21-D23 VanDerWaalsContact C-N 3.26Å; Q21-D23 PolarHBondContact O-N 2.69Å; Q21-I24 HydrophobicContact CB-CD1 4.2Å; Q21-I24 WeakPolarHBondContact O-CB 3.32Å; Q21-I24 PolarHBondContact O-N 3.32Å; Q21-I24 VanDerWaalsContact O-N 3.16Å; Q21-F199 HydrophobicContact CB-CB 4.1Å; Q21-F199 HydrophobicContact CB-CD2 3.33Å; Q21-F199 HydrophobicContact CB-CE2 3.82Å; Q21-F199 HydrophobicContact CB-CG 3.75Å; Q21-F199 HydrophobicContact CG-CD2 4.37Å; Q21-F199 HydrophobicContact CG-CE2 4.44Å; Q21-F199 WeakPolarHBondContact O-CD2 3.46Å; Q21-F199 VanDerWaalsContact OE1-CZ 3.31Å
22	D	68.8	Low	74.2	Confident	70 Å²	70	77.4 Å²	77.4	37%	0.374	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-73.4	-18.6	-171.6	-63.6	-14.9	0	0	0	112.5	G20 I24 C201 G202	G20-D22 PolarHBondContact O-N 3.48Å; D22-I24 PolarHBondContact O-N 3.36Å; D22-C201 VanDerWaalsContact CG-N 3.29Å; D22-C201 VanDerWaalsContact OD1-CA 3.3Å; D22-C201 WeakPolarHBondContact OD1-CA 3.46Å; D22-C201 PolarHBondContact OD1-N 3.36Å; D22-C201 VanDerWaalsContact OD2-CA 3.24Å; D22-C201 WeakPolarHBondContact OD2-CA 3.32Å; D22-C201 PolarHBondContact OD2-N 3.47Å; D22-C201 VanDerWaalsContact OD2-N 3.13Å; D22-G202 PolarHBondContact OD1-N 3.38Å
23	D	72.4	Confident	76	Confident	163 Å²	163	77 Å²	77	87%	0.872	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-73.1	-14.7	173.3	-65.5	-19.5	0	0	0	112.5	Q21 G25	Q21-D23 VanDerWaalsContact C-N 3.26Å; Q21-D23 PolarHBondContact O-N 2.69Å; D23-G25 PolarHBondContact O-N 3.04Å
24	I	72.3	Confident	77.8	Confident	82 Å²	82	73 Å²	73	42%	0.421	40%	0.403	S	S	.	.	S	Bend	trans	-78.5	116.8	174	-54.2	178.6	0	0	0	107.2	Q21 D22 F27 F199	Q21-I24 HydrophobicContact CB-CD1 4.2Å; Q21-I24 WeakPolarHBondContact O-CB 3.32Å; Q21-I24 PolarHBondContact O-N 3.32Å; Q21-I24 VanDerWaalsContact O-N 3.16Å; D22-I24 PolarHBondContact O-N 3.36Å; I24-F27 HydrophobicContact CG2-CD1 4.06Å; I24-F199 HydrophobicContact CB-CD2 4.26Å; I24-F199 HydrophobicContact CD1-CD2 4.27Å; I24-F199 HydrophobicContact CD1-CE2 4.02Å
25	G	85.9	Confident	79.7	Confident	51 Å²	51	65.3 Å²	65.3	53%	0.526	37%	0.368	S	S	.	.			trans	-60.8	-163.6	169.5	0	0	0	0	0	112.3	D23 F27	D23-G25 PolarHBondContact O-N 3.04Å; G25-F27 PolarHBondContact O-N 3.1Å
26	N	93.2	Very high	81.7	Confident	97 Å²	97	60.6 Å²	60.6	52%	0.519	35%	0.35	S	S	.	.	S	Bend	trans	-63.6	142.1	177.1	-61.7	-6.3	0	0	0	110.9	E196 Y197	N26-E196 HydrophobicContact CB-CG 4.02Å; N26-E196 WeakPolarHBondContact CB-OE1 3.47Å; N26-E196 PolarHBondContact ND2-OE1 3.42Å; N26-Y197 CarbonylContact C-O 3.5Å; N26-Y197 VanDerWaalsContact CA-O 3.24Å; N26-Y197 WeakPolarHBondContact CA-O 3.45Å
27	F	95.3	Very high	83.7	Confident	43 Å²	43	58.9 Å²	58.9	19%	0.189	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	160.5	178.4	64.8	-87.5	0	0	0	111	I24 G25 F29 E196 Y197 F199 W283	I24-F27 HydrophobicContact CG2-CD1 4.06Å; G25-F27 PolarHBondContact O-N 3.1Å; F27-F29 HydrophobicContact CE2-CB 4.29Å; F27-E196 CarbonylContact O-C 3.56Å; F27-E196 WeakPolarHBondContact O-CA 3.41Å; F27-Y197 WeakPolarHBondContact CD1-O 3.43Å; F27-Y197 HydrophobicContact CE2-CG 4.31Å; F27-Y197 HydrophobicContact CZ-CG 4.27Å; F27-Y197 PolarHBondContact N-O 2.66Å; F27-Y197 PolarHBondContact O-N 2.85Å; F27-F199 HydrophobicContact CD1-CD2 4.39Å; F27-F199 HydrophobicContact CD1-CE2 4.12Å; F27-F199 HydrophobicContact CE1-CD1 4.21Å; F27-F199 AromaticContact CE1-CD2 3.58Å; F27-F199 HydrophobicContact CE1-CD2 3.58Å; F27-F199 AromaticContact CE1-CE1 3.97Å; F27-F199 HydrophobicContact CE1-CE1 3.97Å; F27-F199 AromaticContact CE1-CE2 3.32Å; F27-F199 HydrophobicContact CE1-CE2 3.32Å; F27-F199 HydrophobicContact CE1-CG 4.04Å; F27-F199 AromaticContact CE1-CZ 3.54Å; F27-F199 HydrophobicContact CE1-CZ 3.54Å; F27-F199 HydrophobicContact CE2-CZ 4.14Å; F27-F199 HydrophobicContact CZ-CD1 4.23Å; F27-F199 HydrophobicContact CZ-CD2 4.19Å; F27-F199 AromaticContact CZ-CE1 3.6Å; F27-F199 HydrophobicContact CZ-CE1 3.6Å; F27-F199 AromaticContact CZ-CE2 3.58Å; F27-F199 HydrophobicContact CZ-CE2 3.58Å; F27-F199 HydrophobicContact CZ-CG 4.5Å; F27-F199 AromaticContact CZ-CZ 3.25Å; F27-F199 HydrophobicContact CZ-CZ 3.25Å; F27-W283 HydrophobicContact CE2-CH2 4.1Å; F27-W283 HydrophobicContact CZ-CH2 4.3Å
28	L	97.6	Very high	85.8	Confident	98 Å²	98	55.5 Å²	55.5	51%	0.513	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	133.2	177.1	-60.9	-179.5	0	0	0	110.1	T194 M195 E196 Q210	L28-T194 HydrophobicContact CB-CG2 3.96Å; L28-T194 HydrophobicContact CD1-CG2 4.47Å; L28-T194 HydrophobicContact CD2-CG2 4.43Å; L28-M195 WeakPolarHBondContact CA-O 3.2Å; L28-E196 HydrophobicContact CD2-CB 3.93Å; L28-E196 HydrophobicContact CD2-CG 4.34Å; L28-Q210 HydrophobicContact CD1-CG 4.08Å; L28-Q210 HydrophobicContact CD2-CB 3.89Å; L28-Q210 HydrophobicContact CD2-CG 3.99Å
29	F	98.5	Very high	88.1	Confident	47 Å²	47	46.6 Å²	46.6	21%	0.206	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	137.2	172.1	-160.7	-80.2	0	0	0	110.5	F27 T194 M195 Y197 W283	F27-F29 HydrophobicContact CE2-CB 4.29Å; F29-T194 WeakPolarHBondContact O-CA 3.3Å; F29-M195 PolarHBondContact N-O 2.71Å; F29-M195 PolarHBondContact O-N 3.12Å; F29-Y197 HydrophobicContact CB-CD2 3.89Å; F29-Y197 HydrophobicContact CB-CE2 4.02Å; F29-W283 HydrophobicContact CB-CH2 4.21Å; F29-W283 HydrophobicContact CB-CZ2 3.67Å; F29-W283 AromaticContact CD1-CD1 3.94Å; F29-W283 HydrophobicContact CD1-CD2 4.22Å; F29-W283 AromaticContact CD1-CE2 3.38Å; F29-W283 AromaticContact CD1-CZ2 3.6Å; F29-W283 HydrophobicContact CD1-CZ2 3.6Å; F29-W283 AromaticContact CD1-NE1 3.22Å; F29-W283 HydrophobicContact CD2-CD2 4.43Å; F29-W283 AromaticContact CD2-CH2 3.93Å; F29-W283 HydrophobicContact CD2-CH2 3.93Å; F29-W283 AromaticContact CD2-CZ2 3.78Å; F29-W283 HydrophobicContact CD2-CZ2 3.78Å; F29-W283 HydrophobicContact CD2-CZ3 4.31Å; F29-W283 AromaticContact CE1-CD1 3.45Å; F29-W283 VanDerWaalsContact CE1-CD1 3.45Å; F29-W283 AromaticContact CE1-CD2 3.96Å; F29-W283 HydrophobicContact CE1-CD2 3.96Å; F29-W283 AromaticContact CE1-CE2 3.55Å; F29-W283 AromaticContact CE1-CG 3.93Å; F29-W283 HydrophobicContact CE1-CG 3.93Å; F29-W283 HydrophobicContact CE1-CZ2 4.19Å; F29-W283 AromaticContact CE1-NE1 3.23Å; F29-W283 HydrophobicContact CE2-CD2 4.16Å; F29-W283 HydrophobicContact CE2-CE3 4.32Å; F29-W283 HydrophobicContact CE2-CH2 4.48Å; F29-W283 HydrophobicContact CE2-CZ2 4.33Å; F29-W283 HydrophobicContact CE2-CZ3 4.46Å; F29-W283 HydrophobicContact CG-CD2 4.46Å; F29-W283 AromaticContact CG-CE2 3.64Å; F29-W283 AromaticContact CG-CH2 3.96Å; F29-W283 HydrophobicContact CG-CH2 3.96Å; F29-W283 AromaticContact CG-CZ2 3.37Å; F29-W283 HydrophobicContact CG-CZ2 3.37Å; F29-W283 AromaticContact CG-NE1 3.97Å; F29-W283 AromaticContact CZ-CD1 3.99Å; F29-W283 AromaticContact CZ-CD2 3.92Å; F29-W283 HydrophobicContact CZ-CD2 3.92Å; F29-W283 AromaticContact CZ-CE2 3.93Å; F29-W283 HydrophobicContact CZ-CE3 4.48Å; F29-W283 HydrophobicContact CZ-CG 4.01Å; F29-W283 AromaticContact CZ-NE1 3.98Å
30	T	98.8	Very high	90.1	Very high	61 Å²	61	46.4 Å²	46.4	37%	0.374	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	133.6	-176.7	-55.7	0	0	0	0	110.7	Q192 I193 T194	T30-Q192 HydrophobicContact CG2-CG 3.42Å; T30-Q192 VanDerWaalsContact CG2-CG 3.42Å; T30-I193 VanDerWaalsContact CA-O 3.29Å; T30-I193 WeakPolarHBondContact CA-O 3.19Å; T30-I193 WeakPolarHBondContact CG2-O 3.32Å; T30-T194 WeakPolarHBondContact CG2-OG1 3.36Å; T30-T194 WeakPolarHBondContact OG1-CB 3.23Å; T30-T194 WeakPolarHBondContact OG1-CG2 3.44Å; T30-T194 PolarHBondContact OG1-OG1 3.01Å
31	S	98.8	Very high	92	Very high	4 Å²	4	44.5 Å²	44.5	3%	0.028	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	158	166.2	-56.4	0	0	0	0	109.7	T162 I193 G281	S31-T162 VanDerWaalsContact OG-CB 3.31Å; S31-T162 WeakPolarHBondContact OG-CB 3.47Å; S31-T162 PolarHBondContact OG-OG1 3.08Å; S31-I193 PolarHBondContact N-O 2.86Å; S31-I193 PolarHBondContact O-N 2.98Å; S31-G281 VanDerWaalsContact CB-O 3.32Å; S31-G281 WeakPolarHBondContact CB-O 3.25Å; S31-G281 PolarHBondContact OG-O 3.4Å
32	E	98.7	Very high	93.5	Very high	99 Å²	99	41.6 Å²	41.6	46%	0.463	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	162.3	174.4	64.3	170.8	-154.5	0	0	111.9	L163 C191 Q192 V277	E32-L163 WeakPolarHBondContact O-CD1 3.35Å; E32-C191 CarbonylContact C-O 3.58Å; E32-C191 WeakPolarHBondContact CA-O 3.45Å; E32-C191 WeakPolarHBondContact CB-O 3.24Å; E32-Q192 HydrophobicContact CB-CB 4.31Å; E32-Q192 HydrophobicContact CB-CG 4.39Å; E32-V277 HydrophobicContact CG-CG2 4.44Å
33	S	98.7	Very high	94.9	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.007	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	158.1	171.6	-176.1	0	0	0	0	110	H167 N170 K190 C191	S33-H167 PolarHBondContact OG-CE1 2.95Å; S33-H167 PolarHBondContact OG-ND1 2.95Å; S33-N170 WeakPolarHBondContact CB-ND2 3.41Å; S33-N170 PolarHBondContact O-ND2 3.31Å; S33-N170 VanDerWaalsContact O-ND2 3.11Å; S33-N170 PolarHBondContact OG-ND2 2.94Å; S33-K190 WeakPolarHBondContact O-CA 3.06Å; S33-C191 PolarHBondContact N-O 2.89Å; S33-C191 PolarHBondContact O-N 3.29Å
34	V	98.6	Very high	96.2	Very high	8 Å²	8	30.5 Å²	30.5	5%	0.048	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	149	173.6	-57.6	0	0	0	0	110.2	N38 K41 N170 S189 K190 K274	V34-N38 HydrophobicContact CB-CB 3.71Å; V34-N38 HydrophobicContact CG2-CB 3.71Å; V34-K41 HydrophobicContact CG2-CB 4.37Å; V34-K41 HydrophobicContact CG2-CG 3.47Å; V34-K41 VanDerWaalsContact CG2-CG 3.47Å; V34-N170 VanDerWaalsContact C-ND2 3.29Å; V34-N170 WeakPolarHBondContact CA-ND2 3.05Å; V34-N170 PolarHBondContact N-ND2 2.94Å; V34-S189 CarbonylContact C-O 3.57Å; V34-S189 WeakPolarHBondContact CA-O 3.29Å; V34-K190 HydrophobicContact CG1-CG 4.12Å; V34-K274 HydrophobicContact CG1-CD 4.3Å; V34-K274 HydrophobicContact CG2-CD 3.86Å; V34-K274 HydrophobicContact CG2-CG 4.22Å
35	G	97.9	Very high	97.4	Very high	3 Å²	3	26.6 Å²	26.6	3%	0.031	15%	0.151	C	C	.	.			trans	-74.3	167.8	175.5	0	0	0	0	0	112.6	G37 N38 S189	G35-G37 PolarHBondContact O-N 3.48Å; G35-G37 VanDerWaalsContact O-N 3.1Å; G35-N38 VanDerWaalsContact O-CB 3.27Å; G35-N38 WeakPolarHBondContact O-CB 3.31Å; G35-N38 PolarHBondContact O-N 3.1Å; G35-S189 WeakPolarHBondContact CA-OG 3.33Å; G35-S189 PolarHBondContact N-O 3.21Å
36	V	98	Very high	98.1	Very high	5 Å²	5	24.2 Å²	24.2	3%	0.03	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-19.8	-177.4	-62.4	0	0	0	0	114.3	Q45 V99 R174 E385	V36-Q45 PolarHBondContact O-NE2 2.97Å; V36-V99 WeakPolarHBondContact O-CG1 3.34Å; V36-R174 HydrophobicContact CG2-CG 4.41Å; V36-E385 HydrophobicContact CG1-CB 4.1Å; V36-E385 HydrophobicContact CG1-CG 4.01Å
37	G	97.7	Very high	98.3	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-3.9	175.3	0	0	0	0	0	115.2	G35 V99 F101 P187	G35-G37 PolarHBondContact O-N 3.48Å; G35-G37 VanDerWaalsContact O-N 3.1Å; G37-V99 VanDerWaalsContact CA-CG1 3.5Å; G37-F101 WeakPolarHBondContact O-CZ 3.35Å; G37-P187 VanDerWaalsContact CA-O 3.3Å; G37-P187 WeakPolarHBondContact CA-O 3.32Å; G37-P187 PolarHBondContact N-O 3.37Å
38	N	98.2	Very high	98.5	Very high	13 Å²	13	17.5 Å²	17.5	7%	0.07	9%	0.092	C	C	.	.	S	Bend	trans	-62	138.9	171.8	179.6	-95.6	0	0	0	110.2	V34 G35 D40 K41 L42 D188	V34-N38 HydrophobicContact CB-CB 3.71Å; V34-N38 HydrophobicContact CG2-CB 3.71Å; G35-N38 VanDerWaalsContact O-CB 3.27Å; G35-N38 WeakPolarHBondContact O-CB 3.31Å; G35-N38 PolarHBondContact O-N 3.1Å; N38-D40 VanDerWaalsContact C-N 3.33Å; N38-D40 PolarHBondContact O-N 2.93Å; N38-D40 PolarHBondContact OD1-N 2.96Å; N38-K41 HydrophobicContact CB-CB 4.26Å; N38-K41 CarbonylContact O-C 3.49Å; N38-K41 PolarHBondContact O-N 2.8Å; N38-L42 PolarHBondContact O-N 3.49Å; N38-D188 WeakPolarHBondContact CA-OD1 3.2Å
39	A	98.2	Very high	98.6	Very high	5 Å²	5	13 Å²	13	4%	0.041	7%	0.069	C	C	.	.	H	α-helix	trans	-59.3	-40.9	-172.5	0	0	0	0	0	113.2	L42 C43 P264 G269	A39-L42 PolarHBondContact O-N 2.73Å; A39-C43 PolarHBondContact O-N 2.9Å; A39-C43 PolarHBondContact O-SG 3.06Å; A39-P264 HydrophobicContact CB-CG 4.37Å; A39-G269 VanDerWaalsContact C-CA 3.43Å; A39-G269 WeakPolarHBondContact O-CA 3.37Å
40	D	98.6	Very high	98.6	Very high	19 Å²	19	10.7 Å²	10.7	10%	0.102	6%	0.059	C	C	.	.	H	α-helix	trans	-65.9	-42.1	176	-64.4	-45.6	0	0	0	110.7	N38 L42 C43 D44 G269 L270 R273 K274	N38-D40 VanDerWaalsContact C-N 3.33Å; N38-D40 PolarHBondContact O-N 2.93Å; N38-D40 PolarHBondContact OD1-N 2.96Å; D40-L42 VanDerWaalsContact C-N 3.35Å; D40-L42 PolarHBondContact O-N 2.91Å; D40-C43 WeakPolarHBondContact O-CB 3.16Å; D40-C43 PolarHBondContact O-N 3.43Å; D40-C43 VanDerWaalsContact O-N 3.07Å; D40-D44 PolarHBondContact O-N 2.88Å; D40-G269 VanDerWaalsContact OD1-CA 3.31Å; D40-G269 WeakPolarHBondContact OD1-CA 3.37Å; D40-L270 PolarHBondContact OD1-N 2.8Å; D40-R273 HydrophobicContact CB-CB 4.15Å; D40-K274 HydrophobicContact CB-CG 3.73Å; D40-K274 WeakPolarHBondContact OD2-CE 3.13Å; D40-K274 IonicContact OD2-NZ 3.8Å; D40-K274 PolarHBondContact OD2-NZ 2.57Å
41	K	98.5	Very high	98.6	Very high	3 Å²	3	7.8 Å²	7.8	1%	0.013	4%	0.041	C	C	.	.	H	α-helix	trans	-68.1	-30.3	176.4	-81.8	-45.1	-164.1	-175.5	0	114.6	V34 N38 C43 D44 Q45 K274 D278	V34-K41 HydrophobicContact CG2-CB 4.37Å; V34-K41 HydrophobicContact CG2-CG 3.47Å; V34-K41 VanDerWaalsContact CG2-CG 3.47Å; N38-K41 HydrophobicContact CB-CB 4.26Å; N38-K41 CarbonylContact O-C 3.49Å; N38-K41 PolarHBondContact O-N 2.8Å; K41-C43 VanDerWaalsContact C-N 3.29Å; K41-D44 HydrophobicContact CD-CB 4.18Å; K41-D44 VanDerWaalsContact CD-OD2 3.3Å; K41-D44 WeakPolarHBondContact CD-OD2 3.35Å; K41-D44 IonicContact NZ-OD2 3.02Å; K41-D44 PolarHBondContact NZ-OD2 3.24Å; K41-Q45 WeakPolarHBondContact O-CB 3.2Å; K41-Q45 WeakPolarHBondContact O-CG 3.33Å; K41-Q45 PolarHBondContact O-N 2.97Å; K41-Q45 PolarHBondContact O-NE2 3.32Å; K41-K274 HydrophobicContact CD-CB 4.32Å; K41-K274 HydrophobicContact CD-CG 4.47Å; K41-K274 HydrophobicContact CG-CG 4.46Å; K41-D278 WeakPolarHBondContact CE-OD1 3.39Å; K41-D278 IonicContact NZ-OD1 2.73Å; K41-D278 PolarHBondContact NZ-OD1 3.36Å; K41-D278 IonicContact NZ-OD2 2.93Å; K41-D278 PolarHBondContact NZ-OD2 3.17Å
42	L	98.5	Very high	98.6	Very high	1 Å²	1	8.6 Å²	8.6	1%	0.005	5%	0.045	C	C	.	.	H	α-helix	trans	-61.4	-42.4	168.8	175.5	64.9	0	0	0	110.4	N38 A39 D40 Q45 V46 A69 V95 V96 V99 F101 F108 P264	N38-L42 PolarHBondContact O-N 3.49Å; A39-L42 PolarHBondContact O-N 2.73Å; D40-L42 VanDerWaalsContact C-N 3.35Å; D40-L42 PolarHBondContact O-N 2.91Å; L42-Q45 PolarHBondContact O-N 3.43Å; L42-V46 HydrophobicContact CD1-CG2 4.33Å; L42-V46 WeakPolarHBondContact O-CG2 3.41Å; L42-V46 PolarHBondContact O-N 3.48Å; L42-A69 HydrophobicContact CD2-CB 4.41Å; L42-V95 HydrophobicContact CD1-CG1 4.28Å; L42-V96 HydrophobicContact CD1-CG2 4.14Å; L42-V96 HydrophobicContact CD2-CG2 4.46Å; L42-V99 HydrophobicContact CD1-CB 4.34Å; L42-V99 HydrophobicContact CD1-CG2 3.91Å; L42-F101 HydrophobicContact CD2-CD2 4.37Å; L42-F101 HydrophobicContact CD2-CE2 4.38Å; L42-F108 HydrophobicContact CD2-CD1 4.41Å; L42-F108 HydrophobicContact CD2-CE1 4.26Å; L42-P264 HydrophobicContact CD2-CG 3.57Å
43	C	98.8	Very high	98.6	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-64.6	-45	178.7	-63	0	0	0	0	111.8	A39 D40 K41 Q45 V46 S47 T67 A69 G269 T271	A39-C43 PolarHBondContact O-N 2.9Å; A39-C43 PolarHBondContact O-SG 3.06Å; D40-C43 WeakPolarHBondContact O-CB 3.16Å; D40-C43 PolarHBondContact O-N 3.43Å; D40-C43 VanDerWaalsContact O-N 3.07Å; K41-C43 VanDerWaalsContact C-N 3.29Å; C43-Q45 VanDerWaalsContact C-N 3.35Å; C43-Q45 PolarHBondContact O-N 3.03Å; C43-V46 PolarHBondContact O-N 3.49Å; C43-S47 PolarHBondContact O-N 2.89Å; C43-S47 PolarHBondContact O-OG 2.94Å; C43-S47 VanDerWaalsContact O-OG 3.09Å; C43-T67 HydrophobicContact CB-CG2 4.05Å; C43-T67 WeakPolarHBondContact CB-O 3.45Å; C43-A69 VanDerWaalsContact SG-CB 3.53Å; C43-A69 PolarHBondContact SG-N 3.32Å; C43-A69 VanDerWaalsContact SG-N 3.44Å; C43-G269 PolarHBondContact SG-O 3.14Å; C43-G269 VanDerWaalsContact SG-O 3.32Å; C43-T271 PolarHBondContact O-OG1 2.88Å
44	D	98.9	Very high	98.6	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-56.1	-47.7	174	-74.7	-32.8	0	0	0	112	D40 K41 V46 S47 D48 G272 S292 A384	D40-D44 PolarHBondContact O-N 2.88Å; K41-D44 HydrophobicContact CD-CB 4.18Å; K41-D44 VanDerWaalsContact CD-OD2 3.3Å; K41-D44 WeakPolarHBondContact CD-OD2 3.35Å; K41-D44 IonicContact NZ-OD2 3.02Å; K41-D44 PolarHBondContact NZ-OD2 3.24Å; D44-V46 PolarHBondContact O-N 2.99Å; D44-S47 PolarHBondContact O-N 3.24Å; D44-D48 PolarHBondContact O-N 3.05Å; D44-G272 PolarHBondContact OD1-N 3.14Å; D44-S292 VanDerWaalsContact CB-OG 3.24Å; D44-S292 WeakPolarHBondContact CB-OG 3.45Å; D44-S292 VanDerWaalsContact CG-OG 3.25Å; D44-S292 WeakPolarHBondContact OD1-CB 3.43Å; D44-S292 PolarHBondContact OD1-OG 2.9Å; D44-A384 HydrophobicContact CB-CB 3.97Å
45	Q	98.9	Very high	98.6	Very high	1 Å²	1	4.9 Å²	4.9	1%	0.005	3%	0.031	C	C	.	.	H	α-helix	trans	-62.8	-39.2	178.4	-74.7	166.6	91.5	0	0	112.5	V36 K41 L42 C43 A49 V95 V99 A384 E385	V36-Q45 PolarHBondContact O-NE2 2.97Å; K41-Q45 WeakPolarHBondContact O-CB 3.2Å; K41-Q45 WeakPolarHBondContact O-CG 3.33Å; K41-Q45 PolarHBondContact O-N 2.97Å; K41-Q45 PolarHBondContact O-NE2 3.32Å; L42-Q45 PolarHBondContact O-N 3.43Å; C43-Q45 VanDerWaalsContact C-N 3.35Å; C43-Q45 PolarHBondContact O-N 3.03Å; Q45-A49 WeakPolarHBondContact O-CB 3.31Å; Q45-A49 PolarHBondContact O-N 3.22Å; Q45-V95 HydrophobicContact CB-CG1 3.8Å; Q45-V99 VanDerWaalsContact OE1-CG2 3.3Å; Q45-A384 HydrophobicContact CB-CB 4.27Å; Q45-A384 HydrophobicContact CG-CB 3.66Å; Q45-E385 HydrophobicContact CG-CG 4.36Å
46	V	98.9	Very high	98.6	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-66.1	-46	176.2	169.7	0	0	0	0	110.9	L42 C43 D44 D48 A49 I50 T67 V76 V92 V95	L42-V46 HydrophobicContact CD1-CG2 4.33Å; L42-V46 WeakPolarHBondContact O-CG2 3.41Å; L42-V46 PolarHBondContact O-N 3.48Å; C43-V46 PolarHBondContact O-N 3.49Å; D44-V46 PolarHBondContact O-N 2.99Å; V46-D48 PolarHBondContact O-N 3.27Å; V46-A49 WeakPolarHBondContact O-CB 3.42Å; V46-A49 PolarHBondContact O-N 3.31Å; V46-I50 HydrophobicContact CG1-CD1 4.15Å; V46-I50 WeakPolarHBondContact O-CG1 3.22Å; V46-I50 PolarHBondContact O-N 2.86Å; V46-T67 HydrophobicContact CB-CG2 3.97Å; V46-T67 HydrophobicContact CG1-CG2 3.81Å; V46-T67 WeakPolarHBondContact CG1-OG1 3.38Å; V46-V76 HydrophobicContact CG1-CG1 3.87Å; V46-V92 HydrophobicContact CG1-CG2 3.81Å; V46-V95 HydrophobicContact CG2-CB 4.01Å; V46-V95 HydrophobicContact CG2-CG1 3.74Å
47	S	98.9	Very high	98.6	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-62.1	-42.5	-180	-62.5	0	0	0	0	111.8	C43 D44 I50 L51 I65 T67 T271	C43-S47 PolarHBondContact O-N 2.89Å; C43-S47 PolarHBondContact O-OG 2.94Å; C43-S47 VanDerWaalsContact O-OG 3.09Å; D44-S47 PolarHBondContact O-N 3.24Å; S47-I50 PolarHBondContact O-N 3.22Å; S47-L51 PolarHBondContact O-N 2.74Å; S47-L51 VanDerWaalsContact O-N 3.07Å; S47-I65 PolarHBondContact OG-O 3.28Å; S47-T67 WeakPolarHBondContact OG-CB 3.4Å; S47-T67 PolarHBondContact OG-N 3.04Å; S47-T67 PolarHBondContact OG-OG1 2.91Å; S47-T271 PolarHBondContact OG-OG1 2.84Å
48	D	98.9	Very high	98.7	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-74.8	-30.8	176.3	-85.2	-20.2	0	0	0	114.1	D44 V46 I50 L51 D52 S292 G293 R301 T383	D44-D48 PolarHBondContact O-N 3.05Å; V46-D48 PolarHBondContact O-N 3.27Å; D48-I50 VanDerWaalsContact C-N 3.27Å; D48-I50 PolarHBondContact O-N 3.42Å; D48-L51 PolarHBondContact O-N 3.26Å; D48-D52 WeakPolarHBondContact O-CB 3.38Å; D48-D52 PolarHBondContact O-N 2.88Å; D48-S292 WeakPolarHBondContact OD1-CA 3.26Å; D48-G293 PolarHBondContact OD1-N 3.34Å; D48-R301 IonicContact OD1-CZ 3.22Å; D48-R301 VanDerWaalsContact OD1-CZ 3.24Å; D48-R301 IonicContact OD1-NH1 3.56Å; D48-R301 PolarHBondContact OD1-NH1 3.38Å; D48-R301 IonicContact OD1-NH2 2.83Å; D48-R301 PolarHBondContact OD1-NH2 3.04Å; D48-R301 IonicContact OD2-CZ 2.69Å; D48-R301 IonicContact OD2-NH2 2.65Å; D48-R301 PolarHBondContact OD2-NH2 2.76Å; D48-T383 PolarHBondContact OD2-OG1 3.02Å
49	A	98.9	Very high	98.6	Very high	2 Å²	2	19.4 Å²	19.4	2%	0.017	10%	0.103	C	C	.	.	H	α-helix	trans	-61.3	-38.3	169.9	0	0	0	0	0	111.9	Q45 V46 A53 L91 R94 V95 E381	Q45-A49 WeakPolarHBondContact O-CB 3.31Å; Q45-A49 PolarHBondContact O-N 3.22Å; V46-A49 WeakPolarHBondContact O-CB 3.42Å; V46-A49 PolarHBondContact O-N 3.31Å; A49-A53 WeakPolarHBondContact O-CB 3.42Å; A49-A53 PolarHBondContact O-N 2.91Å; A49-L91 HydrophobicContact CB-CD2 3.67Å; A49-L91 HydrophobicContact CB-CG 4.46Å; A49-R94 VanDerWaalsContact CB-NH2 3.3Å; A49-V95 HydrophobicContact CB-CG2 3.45Å; A49-V95 VanDerWaalsContact CB-CG2 3.45Å; A49-E381 HydrophobicContact CB-CG 4.14Å; A49-E381 WeakPolarHBondContact CB-OE2 3.38Å
50	I	98.9	Very high	98.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-65.1	-48.4	174.1	-71.4	169.7	0	0	0	110	V46 S47 D48 D52 A53 H54 I65 V76 I80 Y88 L91	V46-I50 HydrophobicContact CG1-CD1 4.15Å; V46-I50 WeakPolarHBondContact O-CG1 3.22Å; V46-I50 PolarHBondContact O-N 2.86Å; S47-I50 PolarHBondContact O-N 3.22Å; D48-I50 VanDerWaalsContact C-N 3.27Å; D48-I50 PolarHBondContact O-N 3.42Å; I50-D52 VanDerWaalsContact C-N 3.33Å; I50-D52 PolarHBondContact O-N 2.95Å; I50-A53 PolarHBondContact O-N 2.82Å; I50-H54 PolarHBondContact O-CD2 3.31Å; I50-H54 VanDerWaalsContact O-CD2 3.29Å; I50-H54 PolarHBondContact O-N 2.83Å; I50-H54 VanDerWaalsContact O-N 3.12Å; I50-I65 HydrophobicContact CD1-CG2 3.97Å; I50-I65 HydrophobicContact CG2-CG1 4.01Å; I50-V76 HydrophobicContact CD1-CB 4.05Å; I50-V76 HydrophobicContact CD1-CG1 3.75Å; I50-V76 HydrophobicContact CD1-CG2 4.39Å; I50-I80 HydrophobicContact CG2-CD1 3.97Å; I50-Y88 HydrophobicContact CD1-CD1 4.21Å; I50-Y88 HydrophobicContact CG1-CD1 4.14Å; I50-Y88 HydrophobicContact CG1-CE1 4.45Å; I50-Y88 HydrophobicContact CG2-CD1 4.4Å; I50-Y88 HydrophobicContact CG2-CE1 3.87Å; I50-L91 HydrophobicContact CG1-CD1 4.37Å; I50-L91 HydrophobicContact CG1-CD2 3.7Å
51	L	98.8	Very high	98.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-54.5	-49.2	175.7	172.7	65.3	0	0	0	112	S47 D48 A53 H54 L55 V63 K294 D295 Y380	S47-L51 PolarHBondContact O-N 2.74Å; S47-L51 VanDerWaalsContact O-N 3.07Å; D48-L51 PolarHBondContact O-N 3.26Å; L51-A53 VanDerWaalsContact C-N 3.34Å; L51-A53 PolarHBondContact O-N 2.77Å; L51-H54 PolarHBondContact O-N 3.43Å; L51-L55 HydrophobicContact CD1-CD1 3.7Å; L51-L55 HydrophobicContact CD1-CG 3.86Å; L51-L55 HydrophobicContact CD2-CD1 4.45Å; L51-L55 HydrophobicContact CG-CD1 3.86Å; L51-L55 HydrophobicContact CG-CG 4.32Å; L51-L55 WeakPolarHBondContact O-CG 3.25Å; L51-L55 PolarHBondContact O-N 3.31Å; L51-V63 HydrophobicContact CB-CG1 4.33Å; L51-V63 HydrophobicContact CD1-CB 3.71Å; L51-V63 HydrophobicContact CD1-CG1 4.13Å; L51-V63 HydrophobicContact CD1-CG2 3.77Å; L51-K294 VanDerWaalsContact CD2-O 3.24Å; L51-K294 WeakPolarHBondContact CD2-O 3.47Å; L51-D295 HydrophobicContact CD1-CB 3.9Å; L51-Y380 HydrophobicContact CD2-CD1 4.26Å; L51-Y380 HydrophobicContact CD2-CD2 3.48Å; L51-Y380 VanDerWaalsContact CD2-CD2 3.48Å; L51-Y380 HydrophobicContact CD2-CE2 4.1Å; L51-Y380 HydrophobicContact CD2-CG 3.6Å; L51-Y380 HydrophobicContact CG-CD2 3.96Å; L51-Y380 HydrophobicContact CG-CG 4.46Å
52	D	98.9	Very high	98.4	Very high	20 Å²	20	23 Å²	23	11%	0.107	12%	0.121	C	C	.	.	H	α-helix	trans	-59.8	-44.3	179.4	-80.8	-8.5	0	0	0	111.2	D48 I50 H54 L55 E56 P378 I379 Y380 E381	D48-D52 WeakPolarHBondContact O-CB 3.38Å; D48-D52 PolarHBondContact O-N 2.88Å; I50-D52 VanDerWaalsContact C-N 3.33Å; I50-D52 PolarHBondContact O-N 2.95Å; D52-H54 VanDerWaalsContact C-N 3.25Å; D52-H54 PolarHBondContact O-N 3.04Å; D52-L55 PolarHBondContact O-N 3.05Å; D52-E56 WeakPolarHBondContact O-CB 3.42Å; D52-E56 PolarHBondContact O-N 3.04Å; D52-P378 HydrophobicContact CB-CB 3.76Å; D52-P378 WeakPolarHBondContact O-CB 3.39Å; D52-P378 VanDerWaalsContact OD1-C 3.22Å; D52-P378 WeakPolarHBondContact OD1-CA 3.47Å; D52-I379 PolarHBondContact OD1-N 2.68Å; D52-Y380 WeakPolarHBondContact OD1-CB 3.45Å; D52-Y380 VanDerWaalsContact OD1-CD2 3.29Å; D52-Y380 WeakPolarHBondContact OD1-CD2 3.45Å; D52-Y380 PolarHBondContact OD1-N 2.87Å; D52-Y380 PolarHBondContact OD2-N 3.39Å; D52-Y380 VanDerWaalsContact OD2-N 3.15Å; D52-E381 VanDerWaalsContact OD2-CB 3.32Å; D52-E381 WeakPolarHBondContact OD2-CB 3.28Å; D52-E381 PolarHBondContact OD2-N 3.41Å
53	A	98.8	Very high	98.4	Very high	24 Å²	24	22.9 Å²	22.9	20%	0.198	12%	0.121	C	C	.	.	H	α-helix	trans	-61.5	-32.8	178.4	0	0	0	0	0	113.5	A49 I50 L51 V86 L91	A49-A53 WeakPolarHBondContact O-CB 3.42Å; A49-A53 PolarHBondContact O-N 2.91Å; I50-A53 PolarHBondContact O-N 2.82Å; L51-A53 VanDerWaalsContact C-N 3.34Å; L51-A53 PolarHBondContact O-N 2.77Å; A53-V86 HydrophobicContact CB-CG1 3.88Å; A53-V86 HydrophobicContact CB-CG2 3.98Å; A53-L91 HydrophobicContact CB-CD1 3.41Å; A53-L91 VanDerWaalsContact CB-CD1 3.41Å
54	H	98.8	Very high	98.3	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.019	13%	0.129	C	C	.	.	H	α-helix	trans	-73.9	-46.7	173	-83	-82.7	0	0	0	112.2	I50 L51 D52 E56 Q57 D58 A61 V63 S82 A84 Y88	I50-H54 PolarHBondContact O-CD2 3.31Å; I50-H54 VanDerWaalsContact O-CD2 3.29Å; I50-H54 PolarHBondContact O-N 2.83Å; I50-H54 VanDerWaalsContact O-N 3.12Å; L51-H54 PolarHBondContact O-N 3.43Å; D52-H54 VanDerWaalsContact C-N 3.25Å; D52-H54 PolarHBondContact O-N 3.04Å; H54-E56 VanDerWaalsContact C-N 3.29Å; H54-E56 PolarHBondContact O-N 3.49Å; H54-Q57 PolarHBondContact O-N 2.9Å; H54-D58 CarbonylContact O-C 3.25Å; H54-D58 PolarHBondContact O-N 3.23Å; H54-A61 HydrophobicContact CB-CB 3.91Å; H54-V63 HydrophobicContact CB-CG2 4.05Å; H54-S82 WeakPolarHBondContact ND1-CB 3.27Å; H54-S82 PolarHBondContact ND1-OG 2.99Å; H54-A84 HydrophobicContact CB-CB 4.5Å; H54-Y88 PolarHBondContact CE1-OH 3.3Å; H54-Y88 AromaticContact NE2-CE1 3.71Å; H54-Y88 AromaticContact NE2-CZ 3.71Å; H54-Y88 PolarHBondContact NE2-OH 3.2Å
55	L	98.6	Very high	98.3	Very high	3 Å²	3	23.9 Å²	23.9	2%	0.016	13%	0.129	C	C	.	.	H	α-helix	trans	-67.8	-26.7	-178.2	-70.9	179.6	0	0	0	113.7	L51 D52 Q57 A61 Y380	L51-L55 HydrophobicContact CD1-CD1 3.7Å; L51-L55 HydrophobicContact CD1-CG 3.86Å; L51-L55 HydrophobicContact CD2-CD1 4.45Å; L51-L55 HydrophobicContact CG-CD1 3.86Å; L51-L55 HydrophobicContact CG-CG 4.32Å; L51-L55 WeakPolarHBondContact O-CG 3.25Å; L51-L55 PolarHBondContact O-N 3.31Å; D52-L55 PolarHBondContact O-N 3.05Å; L55-Q57 VanDerWaalsContact C-N 3.31Å; L55-A61 HydrophobicContact CD2-CB 4.28Å; L55-Y380 HydrophobicContact CD1-CD2 3.79Å; L55-Y380 HydrophobicContact CD1-CE2 3.38Å
56	E	98.5	Very high	98.3	Very high	139 Å²	139	27 Å²	27	65%	0.65	14%	0.143	S	C	*	.	H	α-helix	trans	-61.5	-39	172.9	-176.6	70.4	-128.7	0	0	111.7	D52 H54 P378	D52-E56 WeakPolarHBondContact O-CB 3.42Å; D52-E56 PolarHBondContact O-N 3.04Å; H54-E56 VanDerWaalsContact C-N 3.29Å; H54-E56 PolarHBondContact O-N 3.49Å; E56-P378 HydrophobicContact CB-CB 4.32Å; E56-P378 HydrophobicContact CB-CG 4.08Å; E56-P378 WeakPolarHBondContact OE2-CG 3.37Å
57	Q	98.5	Very high	98.3	Very high	107 Å²	107	27 Å²	27	50%	0.5	14%	0.144	S	C	.	.	H	α-helix	trans	-97.2	-30.9	-177.5	-64.1	177.8	54.9	0	0	113.1	H54 L55 A84 T85	H54-Q57 PolarHBondContact O-N 2.9Å; L55-Q57 VanDerWaalsContact C-N 3.31Å; Q57-A84 HydrophobicContact CB-CB 3.63Å; Q57-A84 HydrophobicContact CG-CB 4.27Å; Q57-T85 PolarHBondContact NE2-O 3.03Å; Q57-T85 PolarHBondContact OE1-O 3.28Å
58	D	98.3	Very high	98.3	Very high	19 Å²	19	28.5 Å²	28.5	10%	0.102	15%	0.152	C	C	.	.			trans	-138.9	92.6	-177.9	179.6	9.8	0	0	0	109.9	H54 N60 A61 S82 K83	H54-D58 CarbonylContact O-C 3.25Å; H54-D58 PolarHBondContact O-N 3.23Å; D58-N60 PolarHBondContact O-N 3.07Å; D58-N60 PolarHBondContact OD1-N 3.09Å; D58-N60 VanDerWaalsContact OD1-N 3.1Å; D58-A61 HydrophobicContact CB-CB 4.29Å; D58-A61 VanDerWaalsContact O-CB 3.23Å; D58-A61 WeakPolarHBondContact O-CB 3.48Å; D58-A61 PolarHBondContact O-N 2.99Å; D58-A61 PolarHBondContact OD1-N 3.03Å; D58-S82 VanDerWaalsContact OD2-CA 3.32Å; D58-S82 WeakPolarHBondContact OD2-CA 3.39Å; D58-S82 PolarHBondContact OD2-OG 3.24Å; D58-K83 HydrophobicContact CB-CB 4.42Å; D58-K83 PolarHBondContact OD2-N 3.04Å
59	P	97.7	Very high	98.3	Very high	60 Å²	60	28.5 Å²	28.5	39%	0.39	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-15.2	178.9	-27.1	35.8	0	0	0	114.3	R376	P59-R376 HydrophobicContact CB-CB 4.05Å; P59-R376 VanDerWaalsContact O-CB 3.31Å; P59-R376 WeakPolarHBondContact O-CB 3.4Å; P59-R376 VanDerWaalsContact O-CD 3.29Å; P59-R376 WeakPolarHBondContact O-CD 3.37Å; P59-R376 WeakPolarHBondContact O-CG 3.48Å
60	N	95.2	Very high	98.3	Very high	86 Å²	86	31.7 Å²	31.7	46%	0.46	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	8.6	178.1	-65.6	-52.4	0	0	0	113.2	D58 K62 R376	D58-N60 PolarHBondContact O-N 3.07Å; D58-N60 PolarHBondContact OD1-N 3.09Å; D58-N60 VanDerWaalsContact OD1-N 3.1Å; N60-K62 PolarHBondContact O-N 2.95Å; N60-K62 PolarHBondContact O-NZ 3.46Å; N60-R376 PolarHBondContact OD1-NE 3.45Å
61	A	97.4	Very high	98.1	Very high	2 Å²	2	35.4 Å²	35.4	2%	0.017	19%	0.189	C	C	.	.			trans	-51.3	139.8	176	0	0	0	0	0	111.4	H54 L55 D58 V63	H54-A61 HydrophobicContact CB-CB 3.91Å; L55-A61 HydrophobicContact CD2-CB 4.28Å; D58-A61 HydrophobicContact CB-CB 4.29Å; D58-A61 VanDerWaalsContact O-CB 3.23Å; D58-A61 WeakPolarHBondContact O-CB 3.48Å; D58-A61 PolarHBondContact O-N 2.99Å; D58-A61 PolarHBondContact OD1-N 3.03Å; A61-V63 HydrophobicContact CB-CG2 4.1Å
62	K	97.3	Very high	98	Very high	14 Å²	14	36.8 Å²	36.8	6%	0.061	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	121	170.2	-58.4	-69.1	170.2	-80.5	0	107.3	N60 I80 T81 H131 D295 T297	N60-K62 PolarHBondContact O-N 2.95Å; N60-K62 PolarHBondContact O-NZ 3.46Å; K62-I80 CarbonylContact O-C 3.59Å; K62-I80 WeakPolarHBondContact O-CA 3.37Å; K62-T81 PolarHBondContact N-O 3.48Å; K62-T81 PolarHBondContact O-N 3.08Å; K62-H131 WeakPolarHBondContact CE-CD2 3.49Å; K62-H131 WeakPolarHBondContact CE-ND1 3.32Å; K62-D295 VanDerWaalsContact CA-OD2 3.3Å; K62-D295 WeakPolarHBondContact CA-OD2 3.36Å; K62-T297 HydrophobicContact CD-CG2 4.2Å
63	V	98.2	Very high	97.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	127.6	-172	-174.8	0	0	0	0	108	L51 H54 A61 I65 I80 G293 K294 D295	L51-V63 HydrophobicContact CB-CG1 4.33Å; L51-V63 HydrophobicContact CD1-CB 3.71Å; L51-V63 HydrophobicContact CD1-CG1 4.13Å; L51-V63 HydrophobicContact CD1-CG2 3.77Å; H54-V63 HydrophobicContact CB-CG2 4.05Å; A61-V63 HydrophobicContact CB-CG2 4.1Å; V63-I65 HydrophobicContact CG1-CB 4.31Å; V63-I65 HydrophobicContact CG1-CG1 3.81Å; V63-I80 HydrophobicContact CG1-CD1 4.35Å; V63-I80 HydrophobicContact CG1-CG1 4.09Å; V63-I80 HydrophobicContact CG2-CG1 4.49Å; V63-G293 CarbonylContact C-O 3.33Å; V63-G293 WeakPolarHBondContact CG1-O 3.38Å; V63-K294 WeakPolarHBondContact O-CA 3.16Å; V63-D295 HydrophobicContact CB-CB 4.26Å; V63-D295 PolarHBondContact N-OD2 3.36Å; V63-D295 PolarHBondContact O-N 3.13Å
64	A	98.3	Very high	97.9	Very high	20 Å²	20	37.3 Å²	37.3	17%	0.165	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	83	167.8	0	0	0	0	0	106.9	G78 E79 G293	A64-G78 WeakPolarHBondContact O-CA 3.25Å; A64-E79 PolarHBondContact N-O 3.35Å; A64-E79 PolarHBondContact O-N 3.48Å; A64-G293 WeakPolarHBondContact CA-O 3.36Å
65	I	98.5	Very high	97.9	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	131.7	-177.8	-70.5	-59.1	0	0	0	111.3	S47 I50 V63 I80 I119 G293	S47-I65 PolarHBondContact OG-O 3.28Å; I50-I65 HydrophobicContact CD1-CG2 3.97Å; I50-I65 HydrophobicContact CG2-CG1 4.01Å; V63-I65 HydrophobicContact CG1-CB 4.31Å; V63-I65 HydrophobicContact CG1-CG1 3.81Å; I65-I80 HydrophobicContact CD1-CD1 3.68Å; I65-I80 HydrophobicContact CD1-CG1 3.71Å; I65-I80 HydrophobicContact CG1-CD1 3.6Å; I65-I80 HydrophobicContact CG1-CG1 3.77Å; I65-I119 HydrophobicContact CD1-CD1 3.78Å; I65-I119 HydrophobicContact CD1-CG1 3.81Å; I65-I119 HydrophobicContact CD1-CG2 4.13Å; I65-G293 PolarHBondContact N-O 2.99Å
66	E	98.8	Very high	97.9	Very high	66 Å²	66	39.2 Å²	39.2	31%	0.308	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	135.9	171.1	-55.9	-63	171.2	0	0	109.2	V76 M77 T271	E66-V76 WeakPolarHBondContact O-CA 3.19Å; E66-M77 HydrophobicContact CB-CE 4.08Å; E66-M77 HydrophobicContact CB-CG 4.08Å; E66-M77 PolarHBondContact N-O 3.44Å; E66-M77 PolarHBondContact O-N 2.99Å; E66-M77 VanDerWaalsContact O-O 3.12Å; E66-T271 VanDerWaalsContact OE2-CB 3.26Å; E66-T271 WeakPolarHBondContact OE2-CB 3.19Å; E66-T271 WeakPolarHBondContact OE2-CG2 3.32Å
67	T	98.9	Very high	97.9	Very high	1 Å²	1	36 Å²	36	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	136.1	173.4	-56.9	0	0	0	0	110	C43 V46 S47 V74 M75 V76 L270 T271	C43-T67 HydrophobicContact CB-CG2 4.05Å; C43-T67 WeakPolarHBondContact CB-O 3.45Å; V46-T67 HydrophobicContact CB-CG2 3.97Å; V46-T67 HydrophobicContact CG1-CG2 3.81Å; V46-T67 WeakPolarHBondContact CG1-OG1 3.38Å; S47-T67 WeakPolarHBondContact OG-CB 3.4Å; S47-T67 PolarHBondContact OG-N 3.04Å; S47-T67 PolarHBondContact OG-OG1 2.91Å; T67-V74 HydrophobicContact CG2-CG1 3.53Å; T67-M75 CarbonylContact C-O 3.49Å; T67-M75 WeakPolarHBondContact CA-O 3.21Å; T67-V76 HydrophobicContact CG2-CG1 4.18Å; T67-L270 WeakPolarHBondContact O-CA 3.47Å; T67-T271 WeakPolarHBondContact CA-OG1 3.41Å; T67-T271 WeakPolarHBondContact CB-OG1 3.44Å; T67-T271 PolarHBondContact N-OG1 2.91Å; T67-T271 PolarHBondContact O-N 3.43Å; T67-T271 PolarHBondContact O-OG1 2.79Å
68	V	98.7	Very high	97.9	Very high	30 Å²	30	31.5 Å²	31.5	18%	0.182	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	134.2	168.5	179.5	0	0	0	0	109	V74 M75 M77 V268 G269 L270	V68-V74 CarbonylContact O-C 3.47Å; V68-V74 WeakPolarHBondContact O-CA 3.46Å; V68-M75 PolarHBondContact N-O 3.16Å; V68-M75 PolarHBondContact O-N 2.95Å; V68-M77 HydrophobicContact CG2-CE 4.44Å; V68-V268 HydrophobicContact CG1-CG2 4.12Å; V68-G269 CarbonylContact C-O 3.59Å; V68-G269 WeakPolarHBondContact CA-O 3.45Å; V68-L270 HydrophobicContact CG2-CD2 4.23Å; V68-L270 HydrophobicContact CG2-CG 4.21Å
69	A	98.6	Very high	97.9	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.008	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	132.6	175.8	0	0	0	0	0	111.3	L42 C43 M73 P264 V268 G269	L42-A69 HydrophobicContact CD2-CB 4.41Å; C43-A69 VanDerWaalsContact SG-CB 3.53Å; C43-A69 PolarHBondContact SG-N 3.32Å; C43-A69 VanDerWaalsContact SG-N 3.44Å; A69-M73 WeakPolarHBondContact CA-O 3.37Å; A69-P264 HydrophobicContact CB-CB 4.09Å; A69-P264 HydrophobicContact CB-CG 3.93Å; A69-V268 WeakPolarHBondContact O-CA 3.44Å; A69-G269 PolarHBondContact N-O 2.93Å; A69-G269 PolarHBondContact O-N 3.28Å
70	K	97.8	Very high	97.9	Very high	68 Å²	68	32.8 Å²	32.8	30%	0.296	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	176.7	172.2	-169	57	-156.5	157.3	0	109.9	G72 M73 F108 P264 Y265 V268	K70-G72 PolarHBondContact O-N 3Å; K70-M73 PolarHBondContact N-O 2.88Å; K70-M73 PolarHBondContact O-N 3.49Å; K70-F108 WeakPolarHBondContact O-CE2 3.3Å; K70-P264 CarbonylContact C-O 3.59Å; K70-P264 WeakPolarHBondContact CD-O 3.32Å; K70-P264 PolarHBondContact NZ-O 3.2Å; K70-Y265 PolarHBondContact NZ-O 2.88Å; K70-V268 HydrophobicContact CD-CB 4.02Å
71	T	95.6	Very high	98	Very high	78 Å²	78	31.2 Å²	31.2	48%	0.479	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-38.6	110.9	179.1	-49.8	0	0	0	0	113	M73 P264 Y265	T71-M73 VanDerWaalsContact C-N 3.31Å; T71-M73 PolarHBondContact O-N 2.86Å; T71-P264 PolarHBondContact N-O 3.07Å; T71-P264 VanDerWaalsContact N-O 3.16Å; T71-Y265 HydrophobicContact CG2-CD2 4.03Å; T71-Y265 HydrophobicContact CG2-CE2 4.43Å
72	G	95.8	Very high	98	Very high	29 Å²	29	32.8 Å²	32.8	30%	0.299	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	71	12	177.1	0	0	0	0	0	116.4	K70 N114	K70-G72 PolarHBondContact O-N 3Å; G72-N114 PolarHBondContact O-N 2.94Å; G72-N114 PolarHBondContact O-ND2 3.28Å; G72-N114 VanDerWaalsContact O-ND2 3.16Å
73	M	97.9	Very high	98	Very high	55 Å²	55	41.2 Å²	41.2	27%	0.271	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	140.4	-176.1	-173.1	179.6	73.8	0	0	113.8	A69 K70 T71 M75 N114 M116	A69-M73 WeakPolarHBondContact CA-O 3.37Å; K70-M73 PolarHBondContact N-O 2.88Å; K70-M73 PolarHBondContact O-N 3.49Å; T71-M73 VanDerWaalsContact C-N 3.31Å; T71-M73 PolarHBondContact O-N 2.86Å; M73-M75 HydrophobicContact CE-CE 4.49Å; M73-N114 CarbonylContact C-O 3.52Å; M73-N114 WeakPolarHBondContact CA-O 3.5Å; M73-N114 HydrophobicContact CG-CB 4.39Å; M73-M116 HydrophobicContact CG-SD 4.46Å; M73-M116 HydrophobicContact SD-CG 4.32Å; M73-M116 HydrophobicContact SD-SD 3.52Å
74	V	98.7	Very high	98	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.006	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	127.6	159.3	-175.2	0	0	0	0	107.9	T67 V68 V76 V92 V96 F108 N114 V115 M116	T67-V74 HydrophobicContact CG2-CG1 3.53Å; V68-V74 CarbonylContact O-C 3.47Å; V68-V74 WeakPolarHBondContact O-CA 3.46Å; V74-V76 HydrophobicContact CG1-CG1 4.38Å; V74-V92 HydrophobicContact CB-CG1 3.83Å; V74-V92 HydrophobicContact CG1-CG1 3.71Å; V74-V92 HydrophobicContact CG2-CG1 4.01Å; V74-V96 HydrophobicContact CG2-CG2 4.3Å; V74-F108 HydrophobicContact CG2-CE1 3.92Å; V74-F108 HydrophobicContact CG2-CZ 3.72Å; V74-N114 PolarHBondContact N-O 3.43Å; V74-V115 CarbonylContact O-C 3.46Å; V74-V115 VanDerWaalsContact O-CA 3.29Å; V74-V115 WeakPolarHBondContact O-CA 3.23Å; V74-M116 PolarHBondContact O-N 2.93Å
75	M	98.7	Very high	98	Very high	46 Å²	46	46.8 Å²	46.8	23%	0.227	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	127.1	172.5	178.3	-179.5	-71.6	0	0	108.5	T67 V68 M73 M77 M116	T67-M75 CarbonylContact C-O 3.49Å; T67-M75 WeakPolarHBondContact CA-O 3.21Å; V68-M75 PolarHBondContact N-O 3.16Å; V68-M75 PolarHBondContact O-N 2.95Å; M73-M75 HydrophobicContact CE-CE 4.49Å; M75-M77 HydrophobicContact SD-SD 4.49Å; M75-M116 CarbonylContact C-O 3.45Å; M75-M116 WeakPolarHBondContact CA-O 3.4Å; M75-M116 HydrophobicContact CB-CB 4.24Å; M75-M116 HydrophobicContact CE-CB 4.31Å; M75-M116 HydrophobicContact CE-CE 3.72Å; M75-M116 HydrophobicContact CE-SD 3.73Å; M75-M116 HydrophobicContact CG-CB 4.18Å
76	V	98.7	Very high	98	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	129.6	172.2	-59.2	0	0	0	0	108.4	V46 I50 E66 T67 V74 V92 M116 V117 V118 I119	V46-V76 HydrophobicContact CG1-CG1 3.87Å; I50-V76 HydrophobicContact CD1-CB 4.05Å; I50-V76 HydrophobicContact CD1-CG1 3.75Å; I50-V76 HydrophobicContact CD1-CG2 4.39Å; E66-V76 WeakPolarHBondContact O-CA 3.19Å; T67-V76 HydrophobicContact CG2-CG1 4.18Å; V74-V76 HydrophobicContact CG1-CG1 4.38Å; V76-V92 HydrophobicContact CG1-CG2 4Å; V76-M116 PolarHBondContact N-O 3.29Å; V76-V117 HydrophobicContact CG2-CB 4.14Å; V76-V117 HydrophobicContact CG2-CG1 4.08Å; V76-V117 HydrophobicContact CG2-CG2 3.83Å; V76-V118 PolarHBondContact O-N 3.1Å; V76-I119 HydrophobicContact CG2-CD1 4.25Å
77	M	98.7	Very high	97.9	Very high	73 Å²	73	48.8 Å²	48.8	36%	0.36	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	161.8	-175.3	68.4	-175.7	-169.4	0	0	111.5	E66 V68 M75 V118	E66-M77 HydrophobicContact CB-CE 4.08Å; E66-M77 HydrophobicContact CB-CG 4.08Å; E66-M77 PolarHBondContact N-O 3.44Å; E66-M77 PolarHBondContact O-N 2.99Å; E66-M77 VanDerWaalsContact O-O 3.12Å; V68-M77 HydrophobicContact CG2-CE 4.44Å; M75-M77 HydrophobicContact SD-SD 4.49Å; M77-V118 WeakPolarHBondContact CA-O 3.33Å; M77-V118 HydrophobicContact CB-CB 4.11Å; M77-V118 WeakPolarHBondContact CB-O 3.26Å
78	G	98	Very high	97.9	Very high	12 Å²	12	50.8 Å²	50.8	12%	0.124	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	128.1	-149.2	177.3	0	0	0	0	0	111.9	A64 V118 I119 G120	A64-G78 WeakPolarHBondContact O-CA 3.25Å; G78-V118 PolarHBondContact N-O 2.99Å; G78-I119 WeakPolarHBondContact O-CA 3.37Å; G78-G120 PolarHBondContact O-N 3.48Å
79	E	98.2	Very high	97.9	Very high	90 Å²	90	53 Å²	53	42%	0.421	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	128.4	-169.6	-55	75.9	-143.6	0	0	112.3	A64 G120	A64-E79 PolarHBondContact N-O 3.35Å; A64-E79 PolarHBondContact O-N 3.48Å; E79-G120 CarbonylContact C-O 3.59Å; E79-G120 WeakPolarHBondContact CA-O 3.32Å
80	I	98	Very high	97.9	Very high	15 Å²	15	57.9 Å²	57.9	8%	0.077	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	130.7	172.9	-67.4	177.6	0	0	0	110.4	I50 K62 V63 I65 Y88 I119 G120	I50-I80 HydrophobicContact CG2-CD1 3.97Å; K62-I80 CarbonylContact O-C 3.59Å; K62-I80 WeakPolarHBondContact O-CA 3.37Å; V63-I80 HydrophobicContact CG1-CD1 4.35Å; V63-I80 HydrophobicContact CG1-CG1 4.09Å; V63-I80 HydrophobicContact CG2-CG1 4.49Å; I65-I80 HydrophobicContact CD1-CD1 3.68Å; I65-I80 HydrophobicContact CD1-CG1 3.71Å; I65-I80 HydrophobicContact CG1-CD1 3.6Å; I65-I80 HydrophobicContact CG1-CG1 3.77Å; I80-Y88 HydrophobicContact CD1-CE1 4.35Å; I80-Y88 WeakPolarHBondContact CD1-OH 3.48Å; I80-I119 HydrophobicContact CB-CG2 3.98Å; I80-I119 HydrophobicContact CD1-CD1 4.16Å; I80-I119 HydrophobicContact CD1-CG2 4.15Å; I80-I119 HydrophobicContact CG1-CG2 4.02Å; I80-G120 PolarHBondContact N-O 3.43Å
81	T	97.6	Very high	97.9	Very high	53 Å²	53	55.3 Å²	55.3	33%	0.325	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	106.8	164.5	-58.2	0	0	0	0	108	K62 Q122	K62-T81 PolarHBondContact N-O 3.48Å; K62-T81 PolarHBondContact O-N 3.08Å; T81-Q122 WeakPolarHBondContact OG1-CB 3.35Å; T81-Q122 PolarHBondContact OG1-N 3.01Å
82	S	97.1	Very high	98	Very high	36 Å²	36	51.6 Å²	51.6	25%	0.252	28%	0.277	S	S	.	.			trans	-157.4	152.9	-173.1	-179.7	0	0	0	0	111.1	H54 D58 A84	H54-S82 WeakPolarHBondContact ND1-CB 3.27Å; H54-S82 PolarHBondContact ND1-OG 2.99Å; D58-S82 VanDerWaalsContact OD2-CA 3.32Å; D58-S82 WeakPolarHBondContact OD2-CA 3.39Å; D58-S82 PolarHBondContact OD2-OG 3.24Å; S82-A84 VanDerWaalsContact C-N 3.33Å; S82-A84 WeakPolarHBondContact OG-CB 3.45Å; S82-A84 PolarHBondContact OG-N 3.25Å; S82-A84 VanDerWaalsContact OG-N 3.1Å
83	K	97.3	Very high	98.2	Very high	190 Å²	190	52.8 Å²	52.8	83%	0.826	27%	0.273	S	S	*	.	S	Bend	trans	-85	-5.7	170.7	-60.4	177.5	-175.5	175.6	0	113.5	D58	D58-K83 HydrophobicContact CB-CB 4.42Å; D58-K83 PolarHBondContact OD2-N 3.04Å
84	A	98.1	Very high	98.2	Very high	15 Å²	15	55.2 Å²	55.2	12%	0.124	28%	0.279	C	S	.	.			trans	-70.3	145.8	-177	0	0	0	0	0	111.8	H54 Q57 S82 V86	H54-A84 HydrophobicContact CB-CB 4.5Å; Q57-A84 HydrophobicContact CB-CB 3.63Å; Q57-A84 HydrophobicContact CG-CB 4.27Å; S82-A84 VanDerWaalsContact C-N 3.33Å; S82-A84 WeakPolarHBondContact OG-CB 3.45Å; S82-A84 PolarHBondContact OG-N 3.25Å; S82-A84 VanDerWaalsContact OG-N 3.1Å; A84-V86 HydrophobicContact CB-CG2 4.11Å
85	T	97.9	Very high	98.2	Very high	123 Å²	123	55.1 Å²	55.1	76%	0.755	28%	0.278	S	S	*	.			trans	-104.6	114.9	166.6	-59	0	0	0	0	108.2	Q57	Q57-T85 PolarHBondContact NE2-O 3.03Å; Q57-T85 PolarHBondContact OE1-O 3.28Å
86	V	98.2	Very high	98.2	Very high	24 Å²	24	53 Å²	53	15%	0.145	27%	0.267	C	S	.	.			trans	-123.2	128.3	-175.2	-179.8	0	0	0	0	110.2	A53 A84 Y88 L91	A53-V86 HydrophobicContact CB-CG1 3.88Å; A53-V86 HydrophobicContact CB-CG2 3.98Å; A84-V86 HydrophobicContact CB-CG2 4.11Å; V86-Y88 HydrophobicContact CB-CD1 4.44Å; V86-Y88 HydrophobicContact CB-CE1 4.05Å; V86-Y88 HydrophobicContact CG1-CD1 3.88Å; V86-Y88 HydrophobicContact CG1-CE1 3.88Å; V86-Y88 PolarHBondContact O-N 2.9Å; V86-L91 HydrophobicContact CG1-CD1 3.7Å
87	D	98.2	Very high	98.2	Very high	85 Å²	85	60 Å²	60	46%	0.455	29%	0.294	S	S	.	.			trans	-84.4	91	170.3	-177.1	-14.7	0	0	0	110	Q89 N90 L91	D87-Q89 VanDerWaalsContact C-N 3.25Å; D87-Q89 PolarHBondContact O-N 3.38Å; D87-Q89 WeakPolarHBondContact OD1-CB 3.44Å; D87-Q89 PolarHBondContact OD1-N 3.19Å; D87-Q89 VanDerWaalsContact OD1-N 3.08Å; D87-N90 HydrophobicContact CB-CB 4.46Å; D87-N90 PolarHBondContact O-N 3.27Å; D87-N90 PolarHBondContact OD1-N 3.22Å; D87-N90 VanDerWaalsContact OD1-N 3.08Å; D87-N90 PolarHBondContact OD2-ND2 3.05Å; D87-L91 VanDerWaalsContact O-CB 3.26Å; D87-L91 WeakPolarHBondContact O-CB 3.15Å; D87-L91 PolarHBondContact O-N 3.12Å
88	Y	98.4	Very high	98.2	Very high	43 Å²	43	60.1 Å²	60.1	17%	0.169	29%	0.292	C	S	.	.	H	α-helix	trans	-61.9	-31.4	-179.7	-58.7	-63.7	0	0	0	113.1	I50 H54 I80 V86 V92 V117 I119	I50-Y88 HydrophobicContact CD1-CD1 4.21Å; I50-Y88 HydrophobicContact CG1-CD1 4.14Å; I50-Y88 HydrophobicContact CG1-CE1 4.45Å; I50-Y88 HydrophobicContact CG2-CD1 4.4Å; I50-Y88 HydrophobicContact CG2-CE1 3.87Å; H54-Y88 PolarHBondContact CE1-OH 3.3Å; H54-Y88 AromaticContact NE2-CE1 3.71Å; H54-Y88 AromaticContact NE2-CZ 3.71Å; H54-Y88 PolarHBondContact NE2-OH 3.2Å; I80-Y88 HydrophobicContact CD1-CE1 4.35Å; I80-Y88 WeakPolarHBondContact CD1-OH 3.48Å; V86-Y88 HydrophobicContact CB-CD1 4.44Å; V86-Y88 HydrophobicContact CB-CE1 4.05Å; V86-Y88 HydrophobicContact CG1-CD1 3.88Å; V86-Y88 HydrophobicContact CG1-CE1 3.88Å; V86-Y88 PolarHBondContact O-N 2.9Å; Y88-V92 WeakPolarHBondContact O-CB 3.14Å; Y88-V92 WeakPolarHBondContact O-CG2 3.03Å; Y88-V92 PolarHBondContact O-N 3.44Å; Y88-V117 HydrophobicContact CD2-CG1 3.91Å; Y88-V117 HydrophobicContact CD2-CG2 4.41Å; Y88-V117 HydrophobicContact CE2-CG1 4.34Å; Y88-V117 HydrophobicContact CG-CG1 4.49Å; Y88-V117 HydrophobicContact CG-CG2 4.47Å; Y88-I119 HydrophobicContact CD1-CD1 4.47Å; Y88-I119 HydrophobicContact CD2-CD1 4.4Å; Y88-I119 HydrophobicContact CE1-CD1 4.04Å; Y88-I119 HydrophobicContact CE2-CD1 3.95Å
89	Q	98	Very high	98.2	Very high	75 Å²	75	59.5 Å²	59.5	35%	0.35	29%	0.287	S	S	.	.	H	α-helix	trans	-63.1	-53.2	179.8	-70.4	-71.7	-35.4	0	0	110	D87 R93 V115	D87-Q89 VanDerWaalsContact C-N 3.25Å; D87-Q89 PolarHBondContact O-N 3.38Å; D87-Q89 WeakPolarHBondContact OD1-CB 3.44Å; D87-Q89 PolarHBondContact OD1-N 3.19Å; D87-Q89 VanDerWaalsContact OD1-N 3.08Å; Q89-R93 WeakPolarHBondContact O-CB 3.44Å; Q89-R93 VanDerWaalsContact O-CG 3.22Å; Q89-R93 WeakPolarHBondContact O-CG 3.28Å; Q89-R93 PolarHBondContact O-N 2.92Å; Q89-V115 PolarHBondContact NE2-O 3.49Å
90	N	98.3	Very high	98.1	Very high	104 Å²	104	55.4 Å²	55.4	56%	0.556	27%	0.268	S	S	*	.	H	α-helix	trans	-70.6	-35.9	-179.1	-78.7	-36.3	0	0	0	112.3	D87 R93 R94	D87-N90 HydrophobicContact CB-CB 4.46Å; D87-N90 PolarHBondContact O-N 3.27Å; D87-N90 PolarHBondContact OD1-N 3.22Å; D87-N90 VanDerWaalsContact OD1-N 3.08Å; D87-N90 PolarHBondContact OD2-ND2 3.05Å; N90-R93 PolarHBondContact O-N 3.41Å; N90-R94 WeakPolarHBondContact O-CB 3.35Å; N90-R94 PolarHBondContact O-N 3.39Å
91	L	98.7	Very high	98.1	Very high	15 Å²	15	54.7 Å²	54.7	8%	0.079	26%	0.264	C	S	.	.	H	α-helix	trans	-63.2	-50.4	178	-175.5	159.7	0	0	0	111.9	A49 I50 A53 V86 D87 R93 R94 V95	A49-L91 HydrophobicContact CB-CD2 3.67Å; A49-L91 HydrophobicContact CB-CG 4.46Å; I50-L91 HydrophobicContact CG1-CD1 4.37Å; I50-L91 HydrophobicContact CG1-CD2 3.7Å; A53-L91 HydrophobicContact CB-CD1 3.41Å; A53-L91 VanDerWaalsContact CB-CD1 3.41Å; V86-L91 HydrophobicContact CG1-CD1 3.7Å; D87-L91 VanDerWaalsContact O-CB 3.26Å; D87-L91 WeakPolarHBondContact O-CB 3.15Å; D87-L91 PolarHBondContact O-N 3.12Å; L91-R93 VanDerWaalsContact C-N 3.32Å; L91-R93 PolarHBondContact O-N 2.57Å; L91-R94 WeakPolarHBondContact O-CB 2.97Å; L91-R94 PolarHBondContact O-N 2.76Å; L91-V95 HydrophobicContact CD2-CG2 4.38Å; L91-V95 WeakPolarHBondContact O-CG2 3.44Å; L91-V95 PolarHBondContact O-N 2.98Å; L91-V95 VanDerWaalsContact O-N 3.13Å
92	V	98.8	Very high	98.1	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59.3	-46.6	178.4	171.2	0	0	0	0	110	V46 V74 V76 Y88 R94 V95 V96 V115	V46-V92 HydrophobicContact CG1-CG2 3.81Å; V74-V92 HydrophobicContact CB-CG1 3.83Å; V74-V92 HydrophobicContact CG1-CG1 3.71Å; V74-V92 HydrophobicContact CG2-CG1 4.01Å; V76-V92 HydrophobicContact CG1-CG2 4Å; Y88-V92 WeakPolarHBondContact O-CB 3.14Å; Y88-V92 WeakPolarHBondContact O-CG2 3.03Å; Y88-V92 PolarHBondContact O-N 3.44Å; V92-R94 VanDerWaalsContact C-N 3.33Å; V92-R94 PolarHBondContact O-N 2.93Å; V92-V95 PolarHBondContact O-N 2.57Å; V92-V95 VanDerWaalsContact O-N 3.17Å; V92-V96 HydrophobicContact CG1-CG2 4.32Å; V92-V96 VanDerWaalsContact O-CG2 3.32Å; V92-V96 WeakPolarHBondContact O-CG2 3.46Å; V92-V96 PolarHBondContact O-N 3.3Å; V92-V115 HydrophobicContact CB-CG1 3.97Å; V92-V115 HydrophobicContact CB-CG2 4.09Å; V92-V115 HydrophobicContact CG1-CG1 4.1Å; V92-V115 HydrophobicContact CG1-CG2 3.74Å; V92-V115 HydrophobicContact CG2-CG1 3.89Å
93	R	98.7	Very high	98.1	Very high	54 Å²	54	57.8 Å²	57.8	20%	0.204	28%	0.276	C	S	.	.	H	α-helix	trans	-62.3	-38	178.8	-69.5	-177.6	-170.5	-68.3	-5	112.6	Q89 N90 L91 V95 V96 R97 Y110 C113 V115	Q89-R93 WeakPolarHBondContact O-CB 3.44Å; Q89-R93 VanDerWaalsContact O-CG 3.22Å; Q89-R93 WeakPolarHBondContact O-CG 3.28Å; Q89-R93 PolarHBondContact O-N 2.92Å; N90-R93 PolarHBondContact O-N 3.41Å; L91-R93 VanDerWaalsContact C-N 3.32Å; L91-R93 PolarHBondContact O-N 2.57Å; R93-V95 PolarHBondContact O-N 3.43Å; R93-V96 PolarHBondContact O-N 2.9Å; R93-R97 WeakPolarHBondContact O-CB 3.37Å; R93-R97 PolarHBondContact O-N 3.35Å; R93-Y110 HydrophobicContact CB-CD2 4.33Å; R93-Y110 WeakPolarHBondContact CD-O 3.32Å; R93-Y110 VanDerWaalsContact CG-O 3.3Å; R93-Y110 WeakPolarHBondContact CG-O 3.25Å; R93-Y110 PolarHBondContact NH1-O 3.22Å; R93-Y110 WeakPolarHBondContact O-CB 3.28Å; R93-C113 VanDerWaalsContact CZ-O 3.23Å; R93-C113 PolarHBondContact NH1-O 3.06Å; R93-C113 PolarHBondContact NH2-O 3Å; R93-V115 HydrophobicContact CG-CG2 4.34Å
94	R	98.5	Very high	98	Very high	105 Å²	105	51.9 Å²	51.9	40%	0.396	26%	0.259	S	S	.	.	H	α-helix	trans	-57.7	-48	173.3	175.3	-164	62.8	83.7	-9.1	111	A49 N90 L91 V92 R97 K98 E381	A49-R94 VanDerWaalsContact CB-NH2 3.3Å; N90-R94 WeakPolarHBondContact O-CB 3.35Å; N90-R94 PolarHBondContact O-N 3.39Å; L91-R94 WeakPolarHBondContact O-CB 2.97Å; L91-R94 PolarHBondContact O-N 2.76Å; V92-R94 VanDerWaalsContact C-N 3.33Å; V92-R94 PolarHBondContact O-N 2.93Å; R94-R97 PolarHBondContact O-N 3.37Å; R94-K98 WeakPolarHBondContact O-CB 3.41Å; R94-K98 PolarHBondContact O-N 3.17Å; R94-E381 IonicContact CZ-OE1 3.95Å; R94-E381 IonicContact CZ-OE2 2.75Å; R94-E381 IonicContact NH1-OE1 3.08Å; R94-E381 PolarHBondContact NH1-OE1 3.18Å; R94-E381 IonicContact NH1-OE2 2.71Å; R94-E381 PolarHBondContact NH1-OE2 2.93Å; R94-E381 IonicContact NH2-OE1 3.36Å; R94-E381 IonicContact NH2-OE2 3.24Å; R94-E381 PolarHBondContact NH2-OE2 3.07Å
95	V	98.7	Very high	97.8	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-64.3	-47	-179.4	178.5	0	0	0	0	110.7	L42 Q45 V46 A49 L91 V92 R93 R97 K98 V99	L42-V95 HydrophobicContact CD1-CG1 4.28Å; Q45-V95 HydrophobicContact CB-CG1 3.8Å; V46-V95 HydrophobicContact CG2-CB 4.01Å; V46-V95 HydrophobicContact CG2-CG1 3.74Å; A49-V95 HydrophobicContact CB-CG2 3.45Å; A49-V95 VanDerWaalsContact CB-CG2 3.45Å; L91-V95 HydrophobicContact CD2-CG2 4.38Å; L91-V95 WeakPolarHBondContact O-CG2 3.44Å; L91-V95 PolarHBondContact O-N 2.98Å; L91-V95 VanDerWaalsContact O-N 3.13Å; V92-V95 PolarHBondContact O-N 2.57Å; V92-V95 VanDerWaalsContact O-N 3.17Å; R93-V95 PolarHBondContact O-N 3.43Å; V95-R97 VanDerWaalsContact C-N 3.28Å; V95-R97 PolarHBondContact O-N 2.74Å; V95-K98 WeakPolarHBondContact O-CB 3.38Å; V95-K98 PolarHBondContact O-N 3.34Å; V95-K98 VanDerWaalsContact O-N 3.16Å; V95-V99 WeakPolarHBondContact O-CG2 2.92Å; V95-V99 PolarHBondContact O-N 3.35Å
96	V	98.6	Very high	97.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-57.7	-42.5	177.4	177.9	0	0	0	0	111.1	L42 V74 V92 R93 G100 F101 F108	L42-V96 HydrophobicContact CD1-CG2 4.14Å; L42-V96 HydrophobicContact CD2-CG2 4.46Å; V74-V96 HydrophobicContact CG2-CG2 4.3Å; V92-V96 HydrophobicContact CG1-CG2 4.32Å; V92-V96 VanDerWaalsContact O-CG2 3.32Å; V92-V96 WeakPolarHBondContact O-CG2 3.46Å; V92-V96 PolarHBondContact O-N 3.3Å; R93-V96 PolarHBondContact O-N 2.9Å; V96-G100 PolarHBondContact O-N 3.17Å; V96-F101 HydrophobicContact CG1-CB 3.68Å; V96-F101 PolarHBondContact O-N 3.07Å; V96-F108 HydrophobicContact CG1-CD1 3.75Å; V96-F108 HydrophobicContact CG1-CE1 3.85Å; V96-F108 HydrophobicContact CG2-CE1 4.18Å
97	R	98.4	Very high	97.4	Very high	147 Å²	147	49.9 Å²	49.9	56%	0.555	25%	0.248	S	C	*	.	H	α-helix	trans	-64.9	-46.5	175.7	-171.6	-178.1	176.7	-176.9	-1.3	112	R93 R94 V95 V99 G100 Y110	R93-R97 WeakPolarHBondContact O-CB 3.37Å; R93-R97 PolarHBondContact O-N 3.35Å; R94-R97 PolarHBondContact O-N 3.37Å; V95-R97 VanDerWaalsContact C-N 3.28Å; V95-R97 PolarHBondContact O-N 2.74Å; R97-V99 VanDerWaalsContact C-N 3.28Å; R97-V99 PolarHBondContact O-N 3.37Å; R97-G100 WeakPolarHBondContact O-CA 3.42Å; R97-G100 PolarHBondContact O-N 2.97Å; R97-Y110 HydrophobicContact CB-CD1 4.14Å; R97-Y110 HydrophobicContact CB-CD2 3.86Å; R97-Y110 HydrophobicContact CB-CE2 4.41Å; R97-Y110 HydrophobicContact CB-CG 3.69Å; R97-Y110 HydrophobicContact CG-CD1 4.15Å; R97-Y110 HydrophobicContact CG-CD2 4.24Å; R97-Y110 HydrophobicContact CG-CE1 4.22Å; R97-Y110 HydrophobicContact CG-CE2 4.33Å; R97-Y110 HydrophobicContact CG-CG 4.14Å
98	K	98.1	Very high	97.4	Very high	76 Å²	76	46.1 Å²	46.1	33%	0.33	23%	0.228	S	C	.	.	H	α-helix	trans	-56.4	-41.7	179	179.7	-162.8	179.2	-167.7	0	111.7	R94 V95 G100 E381 E385	R94-K98 WeakPolarHBondContact O-CB 3.41Å; R94-K98 PolarHBondContact O-N 3.17Å; V95-K98 WeakPolarHBondContact O-CB 3.38Å; V95-K98 PolarHBondContact O-N 3.34Å; V95-K98 VanDerWaalsContact O-N 3.16Å; K98-G100 PolarHBondContact O-N 2.65Å; K98-E381 WeakPolarHBondContact CD-OE1 3.45Å; K98-E381 IonicContact NZ-OE1 3.46Å; K98-E381 PolarHBondContact NZ-OE1 2.96Å; K98-E385 VanDerWaalsContact CE-OE1 3.27Å; K98-E385 WeakPolarHBondContact CE-OE1 3.46Å; K98-E385 IonicContact NZ-OE1 3.37Å; K98-E385 PolarHBondContact NZ-OE1 2.82Å
99	V	98	Very high	97.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63.6	-24.3	176.9	167.3	0	0	0	0	112.4	V36 G37 L42 Q45 V95 R97 F101 R177 P187	V36-V99 WeakPolarHBondContact O-CG1 3.34Å; G37-V99 VanDerWaalsContact CA-CG1 3.5Å; L42-V99 HydrophobicContact CD1-CB 4.34Å; L42-V99 HydrophobicContact CD1-CG2 3.91Å; Q45-V99 VanDerWaalsContact OE1-CG2 3.3Å; V95-V99 WeakPolarHBondContact O-CG2 2.92Å; V95-V99 PolarHBondContact O-N 3.35Å; R97-V99 VanDerWaalsContact C-N 3.28Å; R97-V99 PolarHBondContact O-N 3.37Å; V99-F101 HydrophobicContact CB-CD2 4.37Å; V99-F101 HydrophobicContact CG1-CD2 3.67Å; V99-F101 HydrophobicContact CG1-CE2 3.66Å; V99-R177 PolarHBondContact O-NH2 3.17Å; V99-P187 HydrophobicContact CG1-CB 4.16Å; V99-P187 WeakPolarHBondContact O-CB 3.39Å
100	G	97.9	Very high	97.4	Very high	3 Å²	3	44.1 Å²	44.1	3%	0.031	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	107.1	11	176.9	0	0	0	0	0	114.5	V96 R97 K98 D102 K106 P187	V96-G100 PolarHBondContact O-N 3.17Å; R97-G100 WeakPolarHBondContact O-CA 3.42Å; R97-G100 PolarHBondContact O-N 2.97Å; K98-G100 PolarHBondContact O-N 2.65Å; G100-D102 PolarHBondContact O-N 3.03Å; G100-D102 VanDerWaalsContact O-N 3.09Å; G100-K106 WeakPolarHBondContact O-CD 3.4Å; G100-K106 PolarHBondContact O-NZ 3.18Å; G100-P187 WeakPolarHBondContact O-CG 3.47Å
101	F	97.9	Very high	97.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.214	C	C	.	.			trans	-82.1	69.1	168.7	-68.6	-60.5	0	0	0	109.8	G37 L42 V96 V99 K106 F108 D109 Y110 P187	G37-F101 WeakPolarHBondContact O-CZ 3.35Å; L42-F101 HydrophobicContact CD2-CD2 4.37Å; L42-F101 HydrophobicContact CD2-CE2 4.38Å; V96-F101 HydrophobicContact CG1-CB 3.68Å; V96-F101 PolarHBondContact O-N 3.07Å; V99-F101 HydrophobicContact CB-CD2 4.37Å; V99-F101 HydrophobicContact CG1-CD2 3.67Å; V99-F101 HydrophobicContact CG1-CE2 3.66Å; F101-K106 HydrophobicContact CD1-CB 4.28Å; F101-F108 HydrophobicContact CB-CB 4.27Å; F101-F108 HydrophobicContact CB-CD1 4.3Å; F101-F108 WeakPolarHBondContact CB-O 3.32Å; F101-F108 HydrophobicContact CD1-CB 3.72Å; F101-F108 HydrophobicContact CD2-CD1 4.45Å; F101-F108 HydrophobicContact CE1-CB 4.2Å; F101-F108 HydrophobicContact CG-CB 3.94Å; F101-F108 HydrophobicContact CG-CD1 4.33Å; F101-D109 WeakPolarHBondContact O-CA 3.45Å; F101-Y110 PolarHBondContact O-N 3.12Å; F101-P187 HydrophobicContact CD1-CG 4.12Å; F101-P187 HydrophobicContact CE1-CB 4.12Å; F101-P187 HydrophobicContact CE1-CG 4.04Å; F101-P187 HydrophobicContact CE2-CB 4.19Å; F101-P187 HydrophobicContact CG-CG 4.45Å; F101-P187 HydrophobicContact CZ-CB 3.89Å; F101-P187 HydrophobicContact CZ-CG 4.29Å
102	D	96.8	Very high	97.2	Very high	74 Å²	74	46 Å²	46	40%	0.396	24%	0.237	S	C	.	.	B	Isolated β-bridge	trans	-106.3	1.5	-173.9	60.4	12.6	0	0	0	113.9	G100 K106 Y110	G100-D102 PolarHBondContact O-N 3.03Å; G100-D102 VanDerWaalsContact O-N 3.09Å; D102-K106 VanDerWaalsContact CG-NZ 3.27Å; D102-K106 VanDerWaalsContact OD1-CE 3.32Å; D102-K106 WeakPolarHBondContact OD1-CE 3.3Å; D102-K106 IonicContact OD1-NZ 3.86Å; D102-K106 PolarHBondContact OD1-NZ 2.76Å; D102-K106 IonicContact OD2-NZ 3.06Å; D102-K106 PolarHBondContact OD2-NZ 2.65Å; D102-Y110 HydrophobicContact CB-CD1 4.46Å; D102-Y110 HydrophobicContact CB-CE1 4.41Å
103	N	95.8	Very high	97.2	Very high	80 Å²	80	46 Å²	46	43%	0.428	24%	0.237	S	C	.	.	S	Bend	trans	-155.8	131	-177.4	-172.1	-72.2	0	0	0	110.1	S105 K106	N103-S105 PolarHBondContact O-N 3.4Å; N103-S105 WeakPolarHBondContact OD1-CB 3.28Å; N103-S105 PolarHBondContact OD1-N 3.3Å; N103-S105 PolarHBondContact OD1-OG 3.21Å; N103-K106 WeakPolarHBondContact O-CB 3.22Å; N103-K106 PolarHBondContact O-N 3.29Å
104	S	95.8	Very high	97.2	Very high	66 Å²	66	48.6 Å²	48.6	46%	0.462	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-54.6	-24.6	-179.6	-64.3	0	0	0	0	114.8	K106 G107 D109	S104-K106 PolarHBondContact O-N 2.74Å; S104-K106 VanDerWaalsContact O-N 3.13Å; S104-G107 PolarHBondContact O-N 2.9Å; S104-D109 PolarHBondContact N-OD2 3.01Å; S104-D109 WeakPolarHBondContact OG-CB 3.43Å; S104-D109 PolarHBondContact OG-OD2 3.46Å
105	S	94.2	Very high	97.2	Very high	68 Å²	68	44.2 Å²	44.2	48%	0.476	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-61.9	-18.8	174	66.8	0	0	0	0	114	N103 G107 R186	N103-S105 PolarHBondContact O-N 3.4Å; N103-S105 WeakPolarHBondContact OD1-CB 3.28Å; N103-S105 PolarHBondContact OD1-N 3.3Å; N103-S105 PolarHBondContact OD1-OG 3.21Å; S105-G107 VanDerWaalsContact C-N 3.27Å; S105-R186 PolarHBondContact O-NH1 3.44Å; S105-R186 PolarHBondContact O-NH2 2.88Å; S105-R186 VanDerWaalsContact O-NH2 3.13Å
106	K	95.6	Very high	97.2	Very high	36 Å²	36	48.3 Å²	48.3	16%	0.157	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-84.1	0	176	-61.1	174.5	173.7	176.2	0	112.8	G100 F101 D102 N103 S104 F108 R186 Q217	G100-K106 WeakPolarHBondContact O-CD 3.4Å; G100-K106 PolarHBondContact O-NZ 3.18Å; F101-K106 HydrophobicContact CD1-CB 4.28Å; D102-K106 VanDerWaalsContact CG-NZ 3.27Å; D102-K106 VanDerWaalsContact OD1-CE 3.32Å; D102-K106 WeakPolarHBondContact OD1-CE 3.3Å; D102-K106 IonicContact OD1-NZ 3.86Å; D102-K106 PolarHBondContact OD1-NZ 2.76Å; D102-K106 IonicContact OD2-NZ 3.06Å; D102-K106 PolarHBondContact OD2-NZ 2.65Å; N103-K106 WeakPolarHBondContact O-CB 3.22Å; N103-K106 PolarHBondContact O-N 3.29Å; S104-K106 PolarHBondContact O-N 2.74Å; S104-K106 VanDerWaalsContact O-N 3.13Å; K106-F108 VanDerWaalsContact C-N 3.33Å; K106-R186 HydrophobicContact CG-CG 4.37Å; K106-Q217 PolarHBondContact O-NE2 3.43Å
107	G	92.6	Very high	97.1	Very high	17 Å²	17	51.3 Å²	51.3	18%	0.175	28%	0.278	C	S	.	.	S	Bend	trans	92.6	-22.2	-179.4	0	0	0	0	0	113.9	S104 S105 Y265	S104-G107 PolarHBondContact O-N 2.9Å; S105-G107 VanDerWaalsContact C-N 3.27Å; G107-Y265 WeakPolarHBondContact O-CB 3.37Å
108	F	97	Very high	97.1	Very high	5 Å²	5	48.3 Å²	48.3	2%	0.022	28%	0.276	C	S	.	.			trans	-143.8	150.8	178.2	-155.1	-110.7	0	0	0	110.2	L42 K70 V74 V96 F101 K106 C113 P264	L42-F108 HydrophobicContact CD2-CD1 4.41Å; L42-F108 HydrophobicContact CD2-CE1 4.26Å; K70-F108 WeakPolarHBondContact O-CE2 3.3Å; V74-F108 HydrophobicContact CG2-CE1 3.92Å; V74-F108 HydrophobicContact CG2-CZ 3.72Å; V96-F108 HydrophobicContact CG1-CD1 3.75Å; V96-F108 HydrophobicContact CG1-CE1 3.85Å; V96-F108 HydrophobicContact CG2-CE1 4.18Å; F101-F108 HydrophobicContact CB-CB 4.27Å; F101-F108 HydrophobicContact CB-CD1 4.3Å; F101-F108 WeakPolarHBondContact CB-O 3.32Å; F101-F108 HydrophobicContact CD1-CB 3.72Å; F101-F108 HydrophobicContact CD2-CD1 4.45Å; F101-F108 HydrophobicContact CE1-CB 4.2Å; F101-F108 HydrophobicContact CG-CB 3.94Å; F101-F108 HydrophobicContact CG-CD1 4.33Å; K106-F108 VanDerWaalsContact C-N 3.33Å; F108-C113 HydrophobicContact CE1-CB 4.08Å; F108-C113 HydrophobicContact CE2-CB 4.12Å; F108-C113 HydrophobicContact CZ-CB 3.66Å; F108-P264 HydrophobicContact CB-CG 4.43Å; F108-P264 HydrophobicContact CD1-CB 4.46Å; F108-P264 HydrophobicContact CD1-CG 3.93Å; F108-P264 HydrophobicContact CD2-CB 3.69Å; F108-P264 HydrophobicContact CD2-CG 4.06Å; F108-P264 HydrophobicContact CE1-CG 4.13Å; F108-P264 HydrophobicContact CE2-CB 3.82Å; F108-P264 HydrophobicContact CE2-CG 4.25Å; F108-P264 HydrophobicContact CG-CB 4.03Å; F108-P264 HydrophobicContact CG-CG 3.89Å; F108-P264 HydrophobicContact CZ-CB 4.26Å; F108-P264 HydrophobicContact CZ-CG 4.28Å
109	D	97.7	Very high	97.1	Very high	11 Å²	11	47 Å²	47	6%	0.059	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-150.8	123.5	-169.6	-171.3	-24.1	0	0	0	111.3	F101 S104 S111 T112 C113	F101-D109 WeakPolarHBondContact O-CA 3.45Å; S104-D109 PolarHBondContact N-OD2 3.01Å; S104-D109 WeakPolarHBondContact OG-CB 3.43Å; S104-D109 PolarHBondContact OG-OD2 3.46Å; D109-S111 VanDerWaalsContact CG-OG 3.25Å; D109-S111 PolarHBondContact O-N 2.93Å; D109-S111 WeakPolarHBondContact OD1-CB 3.25Å; D109-S111 PolarHBondContact OD1-N 3.46Å; D109-S111 PolarHBondContact OD1-OG 3.32Å; D109-S111 PolarHBondContact OD2-OG 3Å; D109-T112 WeakPolarHBondContact CB-OG1 3.47Å; D109-T112 PolarHBondContact O-N 3.19Å; D109-C113 WeakPolarHBondContact O-CB 3.39Å; D109-C113 PolarHBondContact O-N 3.1Å; D109-C113 PolarHBondContact O-SG 2.74Å
110	Y	98.4	Very high	97	Very high	65 Å²	65	49 Å²	49	26%	0.255	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-23.9	178.5	84.6	-70.8	0	0	0	113.8	R93 R97 F101 D102	R93-Y110 HydrophobicContact CB-CD2 4.33Å; R93-Y110 WeakPolarHBondContact CD-O 3.32Å; R93-Y110 VanDerWaalsContact CG-O 3.3Å; R93-Y110 WeakPolarHBondContact CG-O 3.25Å; R93-Y110 PolarHBondContact NH1-O 3.22Å; R93-Y110 WeakPolarHBondContact O-CB 3.28Å; R97-Y110 HydrophobicContact CB-CD1 4.14Å; R97-Y110 HydrophobicContact CB-CD2 3.86Å; R97-Y110 HydrophobicContact CB-CE2 4.41Å; R97-Y110 HydrophobicContact CB-CG 3.69Å; R97-Y110 HydrophobicContact CG-CD1 4.15Å; R97-Y110 HydrophobicContact CG-CD2 4.24Å; R97-Y110 HydrophobicContact CG-CE1 4.22Å; R97-Y110 HydrophobicContact CG-CE2 4.33Å; R97-Y110 HydrophobicContact CG-CG 4.14Å; F101-Y110 PolarHBondContact O-N 3.12Å; D102-Y110 HydrophobicContact CB-CD1 4.46Å; D102-Y110 HydrophobicContact CB-CE1 4.41Å
111	S	97.5	Very high	96.8	Very high	67 Å²	67	56.5 Å²	56.5	47%	0.469	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-25.6	-175.2	67.2	0	0	0	0	112.9	D109	D109-S111 VanDerWaalsContact CG-OG 3.25Å; D109-S111 PolarHBondContact O-N 2.93Å; D109-S111 WeakPolarHBondContact OD1-CB 3.25Å; D109-S111 PolarHBondContact OD1-N 3.46Å; D109-S111 PolarHBondContact OD1-OG 3.32Å; D109-S111 PolarHBondContact OD2-OG 3Å
112	T	97.3	Very high	96.4	Very high	91 Å²	91	57.6 Å²	57.6	56%	0.558	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115	-14.2	-174.6	64.8	0	0	0	0	114	D109	D109-T112 WeakPolarHBondContact CB-OG1 3.47Å; D109-T112 PolarHBondContact O-N 3.19Å
113	C	97.6	Very high	96.3	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.014	33%	0.328	C	S	.	.			trans	-64.5	145.6	177.5	69.5	0	0	0	0	111.8	R93 F108 D109	R93-C113 VanDerWaalsContact CZ-O 3.23Å; R93-C113 PolarHBondContact NH1-O 3.06Å; R93-C113 PolarHBondContact NH2-O 3Å; F108-C113 HydrophobicContact CE1-CB 4.08Å; F108-C113 HydrophobicContact CE2-CB 4.12Å; F108-C113 HydrophobicContact CZ-CB 3.66Å; D109-C113 WeakPolarHBondContact O-CB 3.39Å; D109-C113 PolarHBondContact O-N 3.1Å; D109-C113 PolarHBondContact O-SG 2.74Å
114	N	98.3	Very high	96.1	Very high	107 Å²	107	55.8 Å²	55.8	57%	0.572	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	140.4	167.6	-66	-72.4	0	0	0	109.4	G72 M73 V74	G72-N114 PolarHBondContact O-N 2.94Å; G72-N114 PolarHBondContact O-ND2 3.28Å; G72-N114 VanDerWaalsContact O-ND2 3.16Å; M73-N114 CarbonylContact C-O 3.52Å; M73-N114 WeakPolarHBondContact CA-O 3.5Å; M73-N114 HydrophobicContact CG-CB 4.39Å; V74-N114 PolarHBondContact N-O 3.43Å
115	V	98.6	Very high	96	Very high	14 Å²	14	59.6 Å²	59.6	9%	0.085	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	114.1	170.7	180	0	0	0	0	107.8	V74 Q89 V92 R93 V117	V74-V115 CarbonylContact O-C 3.46Å; V74-V115 VanDerWaalsContact O-CA 3.29Å; V74-V115 WeakPolarHBondContact O-CA 3.23Å; Q89-V115 PolarHBondContact NE2-O 3.49Å; V92-V115 HydrophobicContact CB-CG1 3.97Å; V92-V115 HydrophobicContact CB-CG2 4.09Å; V92-V115 HydrophobicContact CG1-CG1 4.1Å; V92-V115 HydrophobicContact CG1-CG2 3.74Å; V92-V115 HydrophobicContact CG2-CG1 3.89Å; R93-V115 HydrophobicContact CG-CG2 4.34Å; V115-V117 HydrophobicContact CG1-CG2 4.49Å
116	M	98.4	Very high	95.8	Very high	86 Å²	86	59.5 Å²	59.5	42%	0.424	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	133.9	176.9	-67.9	-174.9	66.1	0	0	109.8	M73 V74 M75 V76	M73-M116 HydrophobicContact CG-SD 4.46Å; M73-M116 HydrophobicContact SD-CG 4.32Å; M73-M116 HydrophobicContact SD-SD 3.52Å; V74-M116 PolarHBondContact O-N 2.93Å; M75-M116 CarbonylContact C-O 3.45Å; M75-M116 WeakPolarHBondContact CA-O 3.4Å; M75-M116 HydrophobicContact CB-CB 4.24Å; M75-M116 HydrophobicContact CE-CB 4.31Å; M75-M116 HydrophobicContact CE-CE 3.72Å; M75-M116 HydrophobicContact CE-SD 3.73Å; M75-M116 HydrophobicContact CG-CB 4.18Å; V76-M116 PolarHBondContact N-O 3.29Å
117	V	98.3	Very high	95.6	Very high	63 Å²	63	58.5 Å²	58.5	38%	0.382	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	118.8	-179.1	-176.2	0	0	0	0	108.5	V76 Y88 V115 I119	V76-V117 HydrophobicContact CG2-CB 4.14Å; V76-V117 HydrophobicContact CG2-CG1 4.08Å; V76-V117 HydrophobicContact CG2-CG2 3.83Å; Y88-V117 HydrophobicContact CD2-CG1 3.91Å; Y88-V117 HydrophobicContact CD2-CG2 4.41Å; Y88-V117 HydrophobicContact CE2-CG1 4.34Å; Y88-V117 HydrophobicContact CG-CG1 4.49Å; Y88-V117 HydrophobicContact CG-CG2 4.47Å; V115-V117 HydrophobicContact CG1-CG2 4.49Å; V117-I119 HydrophobicContact CG1-CB 4.39Å; V117-I119 HydrophobicContact CG1-CD1 3.67Å; V117-I119 HydrophobicContact CG1-CG1 3.82Å
118	V	97.8	Very high	95.5	Very high	83 Å²	83	60.3 Å²	60.3	50%	0.503	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	66.7	-178.6	-168.8	0	0	0	0	108.8	V76 M77 G78	V76-V118 PolarHBondContact O-N 3.1Å; M77-V118 WeakPolarHBondContact CA-O 3.33Å; M77-V118 HydrophobicContact CB-CB 4.11Å; M77-V118 WeakPolarHBondContact CB-O 3.26Å; G78-V118 PolarHBondContact N-O 2.99Å
119	I	97.7	Very high	95.2	Very high	49 Å²	49	61.3 Å²	61.3	25%	0.251	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	129.8	-172.8	-59.7	174.7	0	0	0	109.7	I65 V76 G78 I80 Y88 V117	I65-I119 HydrophobicContact CD1-CD1 3.78Å; I65-I119 HydrophobicContact CD1-CG1 3.81Å; I65-I119 HydrophobicContact CD1-CG2 4.13Å; V76-I119 HydrophobicContact CG2-CD1 4.25Å; G78-I119 WeakPolarHBondContact O-CA 3.37Å; I80-I119 HydrophobicContact CB-CG2 3.98Å; I80-I119 HydrophobicContact CD1-CD1 4.16Å; I80-I119 HydrophobicContact CD1-CG2 4.15Å; I80-I119 HydrophobicContact CG1-CG2 4.02Å; Y88-I119 HydrophobicContact CD1-CD1 4.47Å; Y88-I119 HydrophobicContact CD2-CD1 4.4Å; Y88-I119 HydrophobicContact CE1-CD1 4.04Å; Y88-I119 HydrophobicContact CE2-CD1 3.95Å; V117-I119 HydrophobicContact CG1-CB 4.39Å; V117-I119 HydrophobicContact CG1-CD1 3.67Å; V117-I119 HydrophobicContact CG1-CG1 3.82Å
120	G	95.9	Very high	94.8	Very high	41 Å²	41	60.9 Å²	60.9	42%	0.423	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	-178.1	170.6	0	0	0	0	0	112.5	G78 E79 I80	G78-G120 PolarHBondContact O-N 3.48Å; E79-G120 CarbonylContact C-O 3.59Å; E79-G120 WeakPolarHBondContact CA-O 3.32Å; I80-G120 PolarHBondContact N-O 3.43Å
121	E	93.1	Very high	94.5	Very high	162 Å²	162	59.5 Å²	59.5	76%	0.757	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-87	156.1	170.5	-65.3	-172.1	164.3	0	0	111.2
122	Q	90.8	Very high	94.1	Very high	23 Å²	23	60.8 Å²	60.8	11%	0.107	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-60.5	139.5	172.7	-173.4	174.8	51.6	0	0	110.4	T81 A124 I126 S127 H131	T81-Q122 WeakPolarHBondContact OG1-CB 3.35Å; T81-Q122 PolarHBondContact OG1-N 3.01Å; Q122-A124 PolarHBondContact O-N 3.38Å; Q122-I126 HydrophobicContact CG-CB 4.37Å; Q122-I126 HydrophobicContact CG-CG2 4.27Å; Q122-S127 PolarHBondContact OE1-OG 3.2Å; Q122-H131 PolarHBondContact OE1-NE2 3.43Å
123	S	93.4	Very high	93.7	Very high	44 Å²	44	64.2 Å²	64.2	31%	0.308	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-52.5	138.1	173.3	146.1	0	0	0	0	111.6	E125 I126 S127	S123-E125 VanDerWaalsContact C-N 3.29Å; S123-E125 PolarHBondContact O-N 3.05Å; S123-E125 PolarHBondContact OG-N 2.69Å; S123-E125 PolarHBondContact OG-OE2 3.41Å; S123-I126 PolarHBondContact O-N 3.29Å; S123-I126 PolarHBondContact OG-N 3.5Å; S123-S127 PolarHBondContact O-N 3.08Å; S123-S127 PolarHBondContact O-OG 2.7Å
124	A	92.8	Very high	93.2	Very high	71 Å²	71	68.7 Å²	68.7	59%	0.587	39%	0.388	S	S	*	.	H	α-helix	trans	-64.2	-36.1	178.8	0	0	0	0	0	111.7	Q122 S127 A128	Q122-A124 PolarHBondContact O-N 3.38Å; A124-S127 PolarHBondContact O-N 3.21Å; A124-A128 WeakPolarHBondContact O-CB 3.47Å; A124-A128 PolarHBondContact O-N 3.12Å
125	E	92.2	Very high	92.9	Very high	147 Å²	147	67.9 Å²	67.9	69%	0.687	38%	0.384	S	S	*	.	H	α-helix	trans	-64.2	-44.6	176.6	-61.4	80	-175.7	0	0	111.5	S123 S127 A128 G129	S123-E125 VanDerWaalsContact C-N 3.29Å; S123-E125 PolarHBondContact O-N 3.05Å; S123-E125 PolarHBondContact OG-N 2.69Å; S123-E125 PolarHBondContact OG-OE2 3.41Å; E125-S127 VanDerWaalsContact C-N 3.33Å; E125-A128 PolarHBondContact O-N 3.25Å; E125-G129 PolarHBondContact O-N 3.31Å
126	I	90	Very high	92.5	Very high	66 Å²	66	69.6 Å²	69.6	34%	0.338	39%	0.393	S	S	.	.	H	α-helix	trans	-62.8	-44.8	174.7	-62.8	177.4	0	0	0	109.7	Q122 S123 A128 G129 V130	Q122-I126 HydrophobicContact CG-CB 4.37Å; Q122-I126 HydrophobicContact CG-CG2 4.27Å; S123-I126 PolarHBondContact O-N 3.29Å; S123-I126 PolarHBondContact OG-N 3.5Å; I126-A128 PolarHBondContact O-N 3.45Å; I126-G129 PolarHBondContact O-N 2.68Å; I126-V130 HydrophobicContact CG2-CG2 4.1Å; I126-V130 WeakPolarHBondContact O-CB 3.44Å; I126-V130 WeakPolarHBondContact O-CG2 3.46Å; I126-V130 PolarHBondContact O-N 3.08Å
127	S	91.8	Very high	92.2	Very high	15 Å²	15	69.3 Å²	69.3	11%	0.105	39%	0.39	C	S	.	.	H	α-helix	trans	-59.6	-47	-180	-61.7	0	0	0	0	112.2	Q122 S123 A124 E125 G129 V130 H131 L132	Q122-S127 PolarHBondContact OE1-OG 3.2Å; S123-S127 PolarHBondContact O-N 3.08Å; S123-S127 PolarHBondContact O-OG 2.7Å; A124-S127 PolarHBondContact O-N 3.21Å; E125-S127 VanDerWaalsContact C-N 3.33Å; S127-G129 VanDerWaalsContact C-N 3.34Å; S127-G129 PolarHBondContact O-N 3.26Å; S127-V130 PolarHBondContact O-N 2.89Å; S127-H131 PolarHBondContact O-N 3.43Å; S127-H131 VanDerWaalsContact O-N 3.08Å; S127-L132 WeakPolarHBondContact O-CB 3.39Å; S127-L132 PolarHBondContact O-N 3.32Å
128	A	91.6	Very high	92	Very high	55 Å²	55	71.3 Å²	71.3	46%	0.455	40%	0.395	S	S	.	.	H	α-helix	trans	-63.1	-37.4	177.4	0	0	0	0	0	113	A124 E125 I126	A124-A128 WeakPolarHBondContact O-CB 3.47Å; A124-A128 PolarHBondContact O-N 3.12Å; E125-A128 PolarHBondContact O-N 3.25Å; I126-A128 PolarHBondContact O-N 3.45Å
129	G	89.7	Confident	91.8	Very high	26 Å²	26	67.7 Å²	67.7	27%	0.268	37%	0.373	S	S	.	.	H	α-helix	trans	-71.8	-28.5	178	0	0	0	0	0	114.2	E125 I126 S127 R134 G332	E125-G129 PolarHBondContact O-N 3.31Å; I126-G129 PolarHBondContact O-N 2.68Å; S127-G129 VanDerWaalsContact C-N 3.34Å; S127-G129 PolarHBondContact O-N 3.26Å; G129-R134 PolarHBondContact O-NH1 3.35Å; G129-R134 PolarHBondContact O-NH2 3.44Å; G129-G332 WeakPolarHBondContact O-CA 3.48Å
130	V	90.6	Very high	91.6	Very high	1 Å²	1	65.3 Å²	65.3	1%	0.006	36%	0.361	C	S	.	.	H	α-helix	trans	-106.9	-53.8	-165.7	174.6	0	0	0	0	112.8	I126 S127 I139 G140	I126-V130 HydrophobicContact CG2-CG2 4.1Å; I126-V130 WeakPolarHBondContact O-CB 3.44Å; I126-V130 WeakPolarHBondContact O-CG2 3.46Å; I126-V130 PolarHBondContact O-N 3.08Å; S127-V130 PolarHBondContact O-N 2.89Å; V130-I139 WeakPolarHBondContact O-CA 3.43Å; V130-G140 WeakPolarHBondContact CG1-O 3.4Å; V130-G140 PolarHBondContact O-N 2.98Å
131	H	91	Very high	91.5	Very high	36 Å²	36	63.4 Å²	63.4	17%	0.167	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-139.1	-23.6	-163.9	65.6	88.6	0	0	0	115.4	K62 Q122 S127 N133 R134	K62-H131 WeakPolarHBondContact CE-CD2 3.49Å; K62-H131 WeakPolarHBondContact CE-ND1 3.32Å; Q122-H131 PolarHBondContact OE1-NE2 3.43Å; S127-H131 PolarHBondContact O-N 3.43Å; S127-H131 VanDerWaalsContact O-N 3.08Å; H131-N133 PolarHBondContact O-N 3.29Å; H131-R134 PolarHBondContact O-N 2.89Å; H131-R134 VanDerWaalsContact O-N 3.17Å
132	L	88.2	Confident	91.3	Very high	94 Å²	94	56.1 Å²	56.1	49%	0.492	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	125.3	-175.4	-170.2	68.1	0	0	0	110.5	S127 R134	S127-L132 WeakPolarHBondContact O-CB 3.39Å; S127-L132 PolarHBondContact O-N 3.32Å; L132-R134 PolarHBondContact O-N 2.97Å
133	N	89.1	Confident	91.4	Very high	164 Å²	164	58.8 Å²	58.8	88%	0.877	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	29.1	-177.5	-54.4	-42.8	0	0	0	114.5	H131	H131-N133 PolarHBondContact O-N 3.29Å
134	R	88.7	Confident	91.4	Very high	95 Å²	95	63.2 Å²	63.2	36%	0.358	34%	0.34	S	S	.	.			trans	-112.6	142.8	174.1	-54.2	-160.1	-178	-167.7	-0.1	110.7	G129 H131 L132 H138 G332	G129-R134 PolarHBondContact O-NH1 3.35Å; G129-R134 PolarHBondContact O-NH2 3.44Å; H131-R134 PolarHBondContact O-N 2.89Å; H131-R134 VanDerWaalsContact O-N 3.17Å; L132-R134 PolarHBondContact O-N 2.97Å; R134-H138 HydrophobicContact CB-CB 4.39Å; R134-H138 WeakPolarHBondContact CD-O 3.29Å; R134-H138 PolarHBondContact NH1-O 3.39Å; R134-H138 VanDerWaalsContact NH1-O 3.14Å; R134-G332 PolarHBondContact NH1-O 3.01Å
135	D	91.8	Very high	91.5	Very high	90 Å²	90	60.7 Å²	60.7	48%	0.481	32%	0.321	S	S	.	.			trans	-76.8	171.2	166.5	65.5	34.6	0	0	0	110.6	E137 H138 I139	D135-E137 PolarHBondContact O-N 2.65Å; D135-E137 WeakPolarHBondContact OD1-CA 3.24Å; D135-E137 WeakPolarHBondContact OD1-CB 3.47Å; D135-E137 PolarHBondContact OD1-N 2.93Å; D135-H138 VanDerWaalsContact CG-ND1 3.27Å; D135-H138 PolarHBondContact O-N 2.73Å; D135-H138 VanDerWaalsContact O-N 3.1Å; D135-H138 IonicContact OD1-CE1 3.54Å; D135-H138 IonicContact OD1-CG 3.65Å; D135-H138 PolarHBondContact OD1-N 3.06Å; D135-H138 IonicContact OD1-ND1 2.71Å; D135-H138 PolarHBondContact OD1-ND1 3.07Å; D135-H138 IonicContact OD2-CE1 3.37Å; D135-H138 IonicContact OD2-ND1 2.78Å; D135-H138 PolarHBondContact OD2-ND1 3.29Å; D135-H138 VanDerWaalsContact OD2-ND1 3.13Å; D135-I139 WeakPolarHBondContact O-CG1 3.47Å; D135-I139 PolarHBondContact O-N 3.38Å; D135-I139 VanDerWaalsContact O-N 3.15Å
136	D	89.2	Confident	91.7	Very high	51 Å²	51	57.2 Å²	57.2	27%	0.273	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-26.3	-178.2	-73.4	-25	0	0	0	113.3	H138 G367 R376	D136-H138 VanDerWaalsContact C-N 3.33Å; D136-G367 CarbonylContact O-C 3.49Å; D136-G367 WeakPolarHBondContact O-CA 3.49Å; D136-R376 IonicContact OD1-CZ 3.52Å; D136-R376 IonicContact OD1-NH1 3.08Å; D136-R376 PolarHBondContact OD1-NH1 2.97Å; D136-R376 VanDerWaalsContact OD1-NH1 3.08Å; D136-R376 IonicContact OD1-NH2 2.58Å; D136-R376 PolarHBondContact OD1-NH2 2.89Å; D136-R376 IonicContact OD2-NH1 3.81Å
137	E	93.1	Very high	92.1	Very high	79 Å²	79	54.4 Å²	54.4	37%	0.369	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-22.9	179.6	-72.1	-160.7	-163.4	0	0	113.2	D135 R365 M368	D135-E137 PolarHBondContact O-N 2.65Å; D135-E137 WeakPolarHBondContact OD1-CA 3.24Å; D135-E137 WeakPolarHBondContact OD1-CB 3.47Å; D135-E137 PolarHBondContact OD1-N 2.93Å; E137-R365 PolarHBondContact O-NH1 3.27Å; E137-R365 IonicContact OE2-CZ 2.84Å; E137-R365 IonicContact OE2-NH1 3.13Å; E137-R365 PolarHBondContact OE2-NH1 2.82Å; E137-R365 VanDerWaalsContact OE2-NH1 3.08Å; E137-R365 IonicContact OE2-NH2 2.84Å; E137-M368 HydrophobicContact CG-CE 4.33Å; E137-M368 HydrophobicContact CG-SD 3.72Å
138	H	93.8	Very high	92.5	Very high	106 Å²	106	54.9 Å²	54.9	49%	0.491	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	3.3	-176	-59.8	94.5	0	0	0	113.7	R134 D135 D136 G140	R134-H138 HydrophobicContact CB-CB 4.39Å; R134-H138 WeakPolarHBondContact CD-O 3.29Å; R134-H138 PolarHBondContact NH1-O 3.39Å; R134-H138 VanDerWaalsContact NH1-O 3.14Å; D135-H138 VanDerWaalsContact CG-ND1 3.27Å; D135-H138 PolarHBondContact O-N 2.73Å; D135-H138 VanDerWaalsContact O-N 3.1Å; D135-H138 IonicContact OD1-CE1 3.54Å; D135-H138 IonicContact OD1-CG 3.65Å; D135-H138 PolarHBondContact OD1-N 3.06Å; D135-H138 IonicContact OD1-ND1 2.71Å; D135-H138 PolarHBondContact OD1-ND1 3.07Å; D135-H138 IonicContact OD2-CE1 3.37Å; D135-H138 IonicContact OD2-ND1 2.78Å; D135-H138 PolarHBondContact OD2-ND1 3.29Å; D135-H138 VanDerWaalsContact OD2-ND1 3.13Å; D136-H138 VanDerWaalsContact C-N 3.33Å; H138-G140 PolarHBondContact O-N 2.95Å
139	I	92.8	Very high	92.8	Very high	6 Å²	6	52.3 Å²	52.3	3%	0.031	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-55.1	116.9	169.6	-67.6	177.7	0	0	0	108.5	V130 D135 T297 A334 P366	V130-I139 WeakPolarHBondContact O-CA 3.43Å; D135-I139 WeakPolarHBondContact O-CG1 3.47Å; D135-I139 PolarHBondContact O-N 3.38Å; D135-I139 VanDerWaalsContact O-N 3.15Å; I139-T297 HydrophobicContact CG2-CG2 4.4Å; I139-A334 WeakPolarHBondContact O-CB 3.35Å; I139-P366 HydrophobicContact CG2-CB 4.18Å
140	G	93.4	Very high	93.3	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-74.9	160.3	176	0	0	0	0	0	111.5	V130 H138 G142	V130-G140 WeakPolarHBondContact CG1-O 3.4Å; V130-G140 PolarHBondContact O-N 2.98Å; H138-G140 PolarHBondContact O-N 2.95Å; G140-G142 PolarHBondContact O-N 2.8Å
141	A	93.6	Very high	93.7	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-59.7	132.5	170.9	0	0	0	0	0	110.5	D143 V299 Y329 G332 V333 P366	A141-D143 WeakPolarHBondContact CB-O 3.37Å; A141-D143 PolarHBondContact O-N 3.04Å; A141-V299 HydrophobicContact CB-CB 4.45Å; A141-V299 HydrophobicContact CB-CG1 3.64Å; A141-V299 HydrophobicContact CB-CG2 3.95Å; A141-Y329 HydrophobicContact CB-CD1 4.03Å; A141-Y329 HydrophobicContact CB-CG 3.94Å; A141-G332 PolarHBondContact O-N 2.87Å; A141-V333 PolarHBondContact N-O 3.15Å; A141-P366 HydrophobicContact CB-CG 4.35Å
142	G	89.5	Confident	94	Very high	9 Å²	9	49.3 Å²	49.3	9%	0.093	25%	0.25	C	S	.	.	S	Bend	trans	-63.1	-20.9	-178.8	0	0	0	0	0	114.8	G140 T297	G140-G142 PolarHBondContact O-N 2.8Å; G142-T297 WeakPolarHBondContact CA-O 3.48Å; G142-T297 PolarHBondContact N-O 3.48Å
143	D	92.8	Very high	94.5	Very high	80 Å²	80	47.7 Å²	47.7	43%	0.428	24%	0.242	S	C	.	.	S	Bend	trans	-154.7	169.3	172.8	-159.1	-5.1	0	0	0	108.7	A141	A141-D143 WeakPolarHBondContact CB-O 3.37Å; A141-D143 PolarHBondContact O-N 3.04Å
144	Q	93.7	Very high	94.9	Very high	136 Å²	136	41 Å²	41	64%	0.636	21%	0.206	S	C	*	.			trans	-70	155.6	161.9	67.8	176.9	12.8	0	0	110.1	Y329	Q144-Y329 WeakPolarHBondContact CA-O 3.41Å
145	G	95.5	Very high	95.4	Very high	19 Å²	19	37.3 Å²	37.3	20%	0.196	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.3	175.8	169.1	0	0	0	0	0	113.1	A328 Y329	G145-A328 CarbonylContact O-C 3.55Å; G145-A328 WeakPolarHBondContact O-CA 3.48Å; G145-A328 WeakPolarHBondContact O-CB 3.35Å; G145-Y329 PolarHBondContact N-O 3.48Å; G145-Y329 VanDerWaalsContact N-O 3.08Å; G145-Y329 PolarHBondContact O-N 3.41Å
146	L	96.6	Very high	95.6	Very high	74 Å²	74	40.5 Å²	40.5	39%	0.387	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	142.7	172.4	54	134.5	0	0	0	109.1	F148 G287 V327 A328	L146-F148 HydrophobicContact CD1-CE2 3.61Å; L146-F148 HydrophobicContact CD1-CZ 4.1Å; L146-G287 VanDerWaalsContact O-CA 3.3Å; L146-G287 WeakPolarHBondContact O-CA 3.44Å; L146-V327 CarbonylContact C-O 3.57Å; L146-V327 WeakPolarHBondContact CA-O 3.28Å; L146-A328 HydrophobicContact CB-CB 4.22Å
147	M	98.6	Very high	96	Very high	6 Å²	6	41 Å²	41	3%	0.03	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	146.6	-177.5	-57.9	81.6	-147.4	0	0	109	V299 D300 A303 A304 Q326 V327 Y329	M147-V299 HydrophobicContact CE-CB 4.33Å; M147-V299 HydrophobicContact CE-CG2 3.8Å; M147-V299 HydrophobicContact SD-CB 4.37Å; M147-V299 HydrophobicContact SD-CG2 4.35Å; M147-D300 WeakPolarHBondContact CE-OD1 3.33Å; M147-A303 HydrophobicContact CB-CB 4.35Å; M147-A303 HydrophobicContact CG-CB 4.04Å; M147-A303 HydrophobicContact SD-CB 3.95Å; M147-A304 HydrophobicContact CB-CB 4.2Å; M147-A304 HydrophobicContact CG-CB 4.4Å; M147-Q326 WeakPolarHBondContact O-CA 3.14Å; M147-V327 HydrophobicContact CB-CG1 3.91Å; M147-V327 PolarHBondContact N-O 2.87Å; M147-V327 PolarHBondContact O-N 3.48Å; M147-V327 HydrophobicContact SD-CG1 4.32Å; M147-Y329 HydrophobicContact SD-CD2 3.97Å; M147-Y329 HydrophobicContact SD-CE2 4.22Å
148	F	98.8	Very high	96.3	Very high	26 Å²	26	37.4 Å²	37.4	11%	0.114	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	143.5	177	-65.6	-87.6	0	0	0	110.8	L146 A285 H286 M324 V325 Q326	L146-F148 HydrophobicContact CD1-CE2 3.61Å; L146-F148 HydrophobicContact CD1-CZ 4.1Å; F148-A285 HydrophobicContact CB-CB 4.36Å; F148-A285 WeakPolarHBondContact CB-O 3.48Å; F148-A285 HydrophobicContact CD1-CB 3.65Å; F148-A285 HydrophobicContact CD2-CB 3.73Å; F148-A285 HydrophobicContact CE1-CB 3.68Å; F148-A285 HydrophobicContact CE2-CB 3.74Å; F148-A285 HydrophobicContact CG-CB 3.66Å; F148-A285 HydrophobicContact CZ-CB 3.72Å; F148-H286 VanDerWaalsContact CD2-C 3.48Å; F148-M324 HydrophobicContact CD1-CG 4.1Å; F148-M324 HydrophobicContact CD1-SD 3.9Å; F148-M324 HydrophobicContact CE1-CE 4.44Å; F148-M324 HydrophobicContact CE1-SD 4.29Å; F148-V325 CarbonylContact C-O 3.54Å; F148-V325 WeakPolarHBondContact CA-O 3.23Å; F148-Q326 HydrophobicContact CD1-CB 3.78Å; F148-Q326 HydrophobicContact CD1-CG 3.91Å; F148-Q326 HydrophobicContact CE1-CB 3.64Å; F148-Q326 HydrophobicContact CE1-CG 3.48Å; F148-Q326 VanDerWaalsContact CE1-CG 3.48Å; F148-Q326 HydrophobicContact CZ-CG 3.92Å
149	G	98.9	Very high	96.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	144.4	167.4	0	0	0	0	0	109.5	Y280 C307 M324 V325	G149-Y280 VanDerWaalsContact CA-OH 3.32Å; G149-Y280 WeakPolarHBondContact CA-OH 3.43Å; G149-C307 VanDerWaalsContact CA-CB 3.43Å; G149-M324 CarbonylContact O-C 3.59Å; G149-M324 VanDerWaalsContact O-CA 3.25Å; G149-M324 WeakPolarHBondContact O-CA 3.3Å; G149-V325 PolarHBondContact N-O 2.82Å; G149-V325 PolarHBondContact O-N 3.39Å
150	Y	98.9	Very high	96.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	144.4	176.8	-177.3	-99.4	0	0	0	111.4	T152 P160 Y280 W283 R308 R322 C323 M324 Y344	Y150-T152 HydrophobicContact CE1-CG2 3.69Å; Y150-P160 HydrophobicContact CD1-CG 4.05Å; Y150-P160 HydrophobicContact CE1-CG 3.81Å; Y150-Y280 HydrophobicContact CD1-CD1 4.27Å; Y150-Y280 HydrophobicContact CD1-CG 4.33Å; Y150-Y280 HydrophobicContact CG-CG 4.42Å; Y150-Y280 PolarHBondContact N-OH 2.77Å; Y150-Y280 VanDerWaalsContact N-OH 3.11Å; Y150-Y280 WeakPolarHBondContact O-CE1 3.35Å; Y150-W283 HydrophobicContact CD1-CB 4.4Å; Y150-W283 HydrophobicContact CE1-CB 4.03Å; Y150-R308 WeakPolarHBondContact O-CD 3.31Å; Y150-R308 PolarHBondContact O-NH1 3.19Å; Y150-R322 HydrophobicContact CE2-CG 3.8Å; Y150-R322 WeakPolarHBondContact OH-CD 3.32Å; Y150-R322 WeakPolarHBondContact OH-CG 3.43Å; Y150-R322 PolarHBondContact OH-NE 2.85Å; Y150-C323 CarbonylContact C-O 3.59Å; Y150-C323 VanDerWaalsContact CA-O 3.31Å; Y150-C323 WeakPolarHBondContact CA-O 3.42Å; Y150-C323 VanDerWaalsContact CD2-O 3.32Å; Y150-C323 WeakPolarHBondContact CD2-O 3.13Å; Y150-M324 HydrophobicContact CD2-CB 4.17Å; Y150-Y344 HydrophobicContact CE2-CE2 4.05Å
151	A	98.9	Very high	97.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	150.5	170.2	0	0	0	0	0	110.4	C158 A311 K312 V315 R322 C323	A151-C158 WeakPolarHBondContact CA-O 3.24Å; A151-C158 HydrophobicContact CB-CB 4.2Å; A151-A311 HydrophobicContact CB-CB 3.8Å; A151-A311 WeakPolarHBondContact CB-O 3.41Å; A151-K312 HydrophobicContact CB-CB 4.48Å; A151-V315 HydrophobicContact CB-CB 4.14Å; A151-V315 HydrophobicContact CB-CG2 3.68Å; A151-R322 CarbonylContact O-C 3.59Å; A151-R322 WeakPolarHBondContact O-CA 3.4Å; A151-C323 PolarHBondContact N-O 3.05Å; A151-C323 PolarHBondContact O-N 3.1Å
152	T	98.7	Very high	97.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	150	-177.9	178.1	0	0	0	0	108.6	Y150 E154 C158 M159 P160 R321	Y150-T152 HydrophobicContact CE1-CG2 3.69Å; T152-E154 HydrophobicContact CG2-CB 4.09Å; T152-E154 HydrophobicContact CG2-CG 4.19Å; T152-E154 VanDerWaalsContact CG2-OE1 3.25Å; T152-E154 WeakPolarHBondContact CG2-OE1 3.45Å; T152-E154 PolarHBondContact O-N 2.8Å; T152-E154 WeakPolarHBondContact OG1-CG 3.49Å; T152-E154 PolarHBondContact OG1-OE1 3.11Å; T152-C158 PolarHBondContact N-O 2.99Å; T152-C158 CarbonylContact O-C 3.53Å; T152-C158 VanDerWaalsContact O-C 3.25Å; T152-C158 WeakPolarHBondContact O-CA 3.23Å; T152-M159 WeakPolarHBondContact CG2-O 3.49Å; T152-P160 HydrophobicContact CG2-CG 4.48Å; T152-R321 CarbonylContact C-O 3.58Å; T152-R321 WeakPolarHBondContact CA-O 3.45Å
153	D	98.2	Very high	97.8	Very high	61 Å²	61	32.1 Å²	32.1	33%	0.326	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	7.8	179.4	73.8	-16.7	0	0	0	114	T155 V315 R321	D153-T155 PolarHBondContact O-N 2.66Å; D153-V315 HydrophobicContact CB-CG1 4.25Å; D153-R321 PolarHBondContact N-O 2.99Å; D153-R321 IonicContact OD1-NE 3.22Å; D153-R321 IonicContact OD1-NH2 3.4Å; D153-R321 PolarHBondContact OD1-NH2 3.21Å; D153-R321 IonicContact OD2-CZ 2.79Å; D153-R321 IonicContact OD2-NE 2.57Å; D153-R321 PolarHBondContact OD2-NE 2.85Å; D153-R321 IonicContact OD2-NH2 2.91Å; D153-R321 PolarHBondContact OD2-NH2 3.44Å
154	E	98.1	Very high	98	Very high	23 Å²	23	28.9 Å²	28.9	11%	0.107	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-29.7	176.9	-73.4	171.6	-104.6	0	0	114.1	T152 L161 Y197 C204	T152-E154 HydrophobicContact CG2-CB 4.09Å; T152-E154 HydrophobicContact CG2-CG 4.19Å; T152-E154 VanDerWaalsContact CG2-OE1 3.25Å; T152-E154 WeakPolarHBondContact CG2-OE1 3.45Å; T152-E154 PolarHBondContact O-N 2.8Å; T152-E154 WeakPolarHBondContact OG1-CG 3.49Å; T152-E154 PolarHBondContact OG1-OE1 3.11Å; E154-L161 HydrophobicContact CB-CB 4.39Å; E154-L161 PolarHBondContact OE2-N 3.04Å; E154-Y197 WeakPolarHBondContact OE2-CE1 3.44Å; E154-Y197 PolarHBondContact OE2-OH 2.83Å; E154-C204 HydrophobicContact CG-CB 4.01Å; E154-C204 VanDerWaalsContact CG-O 3.26Å; E154-C204 WeakPolarHBondContact CG-O 3.27Å; E154-C204 WeakPolarHBondContact OE1-CB 3.4Å
155	T	98.1	Very high	98.3	Very high	17 Å²	17	22.4 Å²	22.4	10%	0.104	12%	0.117	C	C	.	.	S	Bend	trans	-136.6	159.2	-178.2	62.8	0	0	0	0	110.9	D153 E157 C158 M159 L161	D153-T155 PolarHBondContact O-N 2.66Å; T155-E157 WeakPolarHBondContact CB-OE2 3.22Å; T155-E157 PolarHBondContact O-N 3.48Å; T155-C158 PolarHBondContact O-N 3.28Å; T155-M159 WeakPolarHBondContact CG2-O 3.5Å; T155-M159 WeakPolarHBondContact OG1-CA 3.46Å; T155-M159 PolarHBondContact OG1-N 3.36Å; T155-M159 PolarHBondContact OG1-O 3.48Å; T155-L161 HydrophobicContact CG2-CB 4.08Å; T155-L161 HydrophobicContact CG2-CD1 3.75Å
156	E	97	Very high	98.4	Very high	158 Å²	158	21.5 Å²	21.5	74%	0.738	11%	0.107	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-34.1	179.1	-176.4	174.7	-177.6	0	0	111.7	C158 K316	E156-C158 PolarHBondContact O-N 2.78Å; E156-K316 VanDerWaalsContact O-CE 3.25Å; E156-K316 WeakPolarHBondContact O-CE 3.32Å; E156-K316 PolarHBondContact O-NZ 2.91Å
157	E	97.9	Very high	98.5	Very high	62 Å²	62	18.6 Å²	18.6	29%	0.29	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-0.5	178.5	-55	88.1	161.4	0	0	112.5	T155 M159 R308	T155-E157 WeakPolarHBondContact CB-OE2 3.22Å; T155-E157 PolarHBondContact O-N 3.48Å; E157-M159 VanDerWaalsContact C-N 3.3Å; E157-M159 HydrophobicContact CB-CG 4.32Å; E157-M159 PolarHBondContact O-N 3.44Å; E157-R308 PolarHBondContact O-NH2 2.91Å
158	C	98.6	Very high	98.5	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.02	11%	0.107	C	C	.	.	S	Bend	trans	58.8	34.9	-172.6	-63.6	0	0	0	0	114.3	A151 T152 T155 E156 R308 K312 K316	A151-C158 WeakPolarHBondContact CA-O 3.24Å; A151-C158 HydrophobicContact CB-CB 4.2Å; T152-C158 PolarHBondContact N-O 2.99Å; T152-C158 CarbonylContact O-C 3.53Å; T152-C158 VanDerWaalsContact O-C 3.25Å; T152-C158 WeakPolarHBondContact O-CA 3.23Å; T155-C158 PolarHBondContact O-N 3.28Å; E156-C158 PolarHBondContact O-N 2.78Å; C158-R308 PolarHBondContact O-NH1 3.28Å; C158-K312 HydrophobicContact CB-CG 4.11Å; C158-K316 WeakPolarHBondContact SG-CE 3.36Å
159	M	98.7	Very high	98.5	Very high	3 Å²	3	21.5 Å²	21.5	2%	0.015	10%	0.101	C	C	.	.	S	Bend	trans	-109.7	154	179.7	-73.8	-65	-75.7	0	0	111.8	T152 T155 E157 L161 L163 S164 T279 Y280 R308 F389	T152-M159 WeakPolarHBondContact CG2-O 3.49Å; T155-M159 WeakPolarHBondContact CG2-O 3.5Å; T155-M159 WeakPolarHBondContact OG1-CA 3.46Å; T155-M159 PolarHBondContact OG1-N 3.36Å; T155-M159 PolarHBondContact OG1-O 3.48Å; E157-M159 VanDerWaalsContact C-N 3.3Å; E157-M159 HydrophobicContact CB-CG 4.32Å; E157-M159 PolarHBondContact O-N 3.44Å; M159-L161 PolarHBondContact O-N 3.16Å; M159-L163 HydrophobicContact CE-CD2 3.92Å; M159-S164 WeakPolarHBondContact CB-OG 3.44Å; M159-T279 WeakPolarHBondContact CE-O 3.41Å; M159-Y280 HydrophobicContact CE-CD1 4.33Å; M159-Y280 HydrophobicContact SD-CD1 4.33Å; M159-Y280 HydrophobicContact SD-CE1 4.43Å; M159-R308 VanDerWaalsContact SD-CZ 3.59Å; M159-F389 HydrophobicContact CE-CB 3.83Å; M159-F389 HydrophobicContact SD-CB 3.66Å
160	P	98.8	Very high	98.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.102	C	C	.	.			trans	-58.9	135.5	170.4	-9.7	18.1	0	0	0	111	Y150 T152 T162 S164 W283	Y150-P160 HydrophobicContact CD1-CG 4.05Å; Y150-P160 HydrophobicContact CE1-CG 3.81Å; T152-P160 HydrophobicContact CG2-CG 4.48Å; P160-T162 VanDerWaalsContact C-N 3.34Å; P160-T162 PolarHBondContact O-N 3.12Å; P160-S164 WeakPolarHBondContact O-CB 3.31Å; P160-S164 PolarHBondContact O-N 2.79Å; P160-S164 VanDerWaalsContact O-N 3.11Å; P160-S164 PolarHBondContact O-OG 3.25Å; P160-W283 HydrophobicContact CB-CB 4.18Å; P160-W283 HydrophobicContact CB-CD2 4.37Å; P160-W283 HydrophobicContact CB-CG 3.68Å; P160-W283 HydrophobicContact CG-CB 3.73Å; P160-W283 HydrophobicContact CG-CG 3.81Å
161	L	98.7	Very high	98.4	Very high	6 Å²	6	22.9 Å²	22.9	3%	0.031	11%	0.113	C	C	.	.	H	α-helix	trans	-63.7	-40	-173.4	179.2	68.3	0	0	0	112	E154 T155 M159 S164 L165 M195 P206 Y244	E154-L161 HydrophobicContact CB-CB 4.39Å; E154-L161 PolarHBondContact OE2-N 3.04Å; T155-L161 HydrophobicContact CG2-CB 4.08Å; T155-L161 HydrophobicContact CG2-CD1 3.75Å; M159-L161 PolarHBondContact O-N 3.16Å; L161-S164 PolarHBondContact O-N 2.58Å; L161-L165 HydrophobicContact CD1-CD1 3.93Å; L161-L165 HydrophobicContact CD1-CD2 4.48Å; L161-L165 HydrophobicContact CD1-CG 3.96Å; L161-L165 HydrophobicContact CD2-CD1 4.26Å; L161-L165 HydrophobicContact CG-CD1 3.75Å; L161-L165 HydrophobicContact CG-CG 4.2Å; L161-L165 WeakPolarHBondContact O-CB 3.33Å; L161-L165 VanDerWaalsContact O-CG 3.32Å; L161-L165 WeakPolarHBondContact O-CG 3.39Å; L161-L165 PolarHBondContact O-N 2.94Å; L161-M195 HydrophobicContact CD2-CE 4.09Å; L161-P206 HydrophobicContact CD2-CB 3.54Å; L161-P206 HydrophobicContact CD2-CG 3.68Å; L161-Y244 HydrophobicContact CD2-CD2 4.26Å; L161-Y244 HydrophobicContact CD2-CE2 3.6Å
162	T	98.7	Very high	98.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-55.6	-55.7	179.4	49.1	0	0	0	0	111.8	S31 P160 S164 L165 A166 I193 M195 Y197 W283	S31-T162 VanDerWaalsContact OG-CB 3.31Å; S31-T162 WeakPolarHBondContact OG-CB 3.47Å; S31-T162 PolarHBondContact OG-OG1 3.08Å; P160-T162 VanDerWaalsContact C-N 3.34Å; P160-T162 PolarHBondContact O-N 3.12Å; T162-S164 PolarHBondContact O-N 2.9Å; T162-L165 PolarHBondContact O-N 3.48Å; T162-A166 PolarHBondContact O-N 2.94Å; T162-A166 VanDerWaalsContact O-N 3.13Å; T162-I193 WeakPolarHBondContact O-CG2 3.44Å; T162-M195 HydrophobicContact CG2-CB 3.75Å; T162-M195 HydrophobicContact CG2-CG 3.59Å; T162-Y197 HydrophobicContact CG2-CE2 3.73Å; T162-W283 PolarHBondContact OG1-NE1 3.41Å
163	L	98.7	Very high	98.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-63.4	-42.9	178.8	-177.4	66.5	0	0	0	111.6	E32 M159 L165 A166 H167 T279	E32-L163 WeakPolarHBondContact O-CD1 3.35Å; M159-L163 HydrophobicContact CE-CD2 3.92Å; L163-L165 VanDerWaalsContact C-N 3.28Å; L163-L165 PolarHBondContact O-N 3.41Å; L163-A166 PolarHBondContact O-N 2.88Å; L163-A166 VanDerWaalsContact O-N 3.11Å; L163-H167 WeakPolarHBondContact CD1-NE2 3.47Å; L163-H167 WeakPolarHBondContact CG-NE2 3.48Å; L163-H167 PolarHBondContact O-N 2.82Å; L163-T279 WeakPolarHBondContact CD2-O 3.41Å
164	S	98.3	Very high	98.4	Very high	13 Å²	13	26 Å²	26	9%	0.091	12%	0.12	C	C	.	.	H	α-helix	trans	-59.5	-38.6	-179.3	-55.8	0	0	0	0	112.3	M159 P160 L161 T162 R168	M159-S164 WeakPolarHBondContact CB-OG 3.44Å; P160-S164 WeakPolarHBondContact O-CB 3.31Å; P160-S164 PolarHBondContact O-N 2.79Å; P160-S164 VanDerWaalsContact O-N 3.11Å; P160-S164 PolarHBondContact O-OG 3.25Å; L161-S164 PolarHBondContact O-N 2.58Å; T162-S164 PolarHBondContact O-N 2.9Å; S164-R168 WeakPolarHBondContact O-CB 3.09Å; S164-R168 VanDerWaalsContact O-CG 3.24Å; S164-R168 WeakPolarHBondContact O-CG 3.34Å; S164-R168 PolarHBondContact O-N 3.37Å; S164-R168 VanDerWaalsContact O-N 3.15Å; S164-R168 PolarHBondContact O-NE 3.5Å
165	L	98.7	Very high	98.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-69.3	-43.3	174.6	-72	172.5	0	0	0	111.8	L161 T162 L163 H167 R168 M169 I193 M195 V239 V240	L161-L165 HydrophobicContact CD1-CD1 3.93Å; L161-L165 HydrophobicContact CD1-CD2 4.48Å; L161-L165 HydrophobicContact CD1-CG 3.96Å; L161-L165 HydrophobicContact CD2-CD1 4.26Å; L161-L165 HydrophobicContact CG-CD1 3.75Å; L161-L165 HydrophobicContact CG-CG 4.2Å; L161-L165 WeakPolarHBondContact O-CB 3.33Å; L161-L165 VanDerWaalsContact O-CG 3.32Å; L161-L165 WeakPolarHBondContact O-CG 3.39Å; L161-L165 PolarHBondContact O-N 2.94Å; T162-L165 PolarHBondContact O-N 3.48Å; L163-L165 VanDerWaalsContact C-N 3.28Å; L163-L165 PolarHBondContact O-N 3.41Å; L165-H167 PolarHBondContact O-N 3.24Å; L165-R168 PolarHBondContact O-N 2.78Å; L165-M169 HydrophobicContact CB-CE 4.16Å; L165-M169 WeakPolarHBondContact O-CE 3.45Å; L165-M169 WeakPolarHBondContact O-CG 3.43Å; L165-M169 PolarHBondContact O-N 2.9Å; L165-I193 HydrophobicContact CB-CD1 3.63Å; L165-I193 HydrophobicContact CD1-CD1 3.44Å; L165-I193 VanDerWaalsContact CD1-CD1 3.44Å; L165-I193 HydrophobicContact CG-CD1 4.16Å; L165-M195 HydrophobicContact CD1-SD 4.45Å; L165-V239 HydrophobicContact CD2-CG1 3.92Å; L165-V239 VanDerWaalsContact CD2-O 3.29Å; L165-V239 WeakPolarHBondContact CD2-O 3.39Å; L165-V240 HydrophobicContact CD2-CG2 4.37Å
166	A	98.7	Very high	98.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61	-44.6	178.3	0	0	0	0	0	112.4	T162 L163 M169 N170 C191 I193	T162-A166 PolarHBondContact O-N 2.94Å; T162-A166 VanDerWaalsContact O-N 3.13Å; L163-A166 PolarHBondContact O-N 2.88Å; L163-A166 VanDerWaalsContact O-N 3.11Å; A166-M169 PolarHBondContact O-N 3.32Å; A166-N170 PolarHBondContact O-N 3.37Å; A166-N170 PolarHBondContact O-ND2 2.86Å; A166-C191 HydrophobicContact CB-CB 4.39Å; A166-I193 HydrophobicContact CB-CG2 4.09Å
167	H	98.6	Very high	98.5	Very high	12 Å²	12	22.6 Å²	22.6	6%	0.056	11%	0.108	C	C	.	.	H	α-helix	trans	-60.2	-48.8	173.4	-76.3	-36.7	0	0	0	112.4	S33 L163 L165 M169 N170 A171 V277 N386	S33-H167 PolarHBondContact OG-CE1 2.95Å; S33-H167 PolarHBondContact OG-ND1 2.95Å; L163-H167 WeakPolarHBondContact CD1-NE2 3.47Å; L163-H167 WeakPolarHBondContact CG-NE2 3.48Å; L163-H167 PolarHBondContact O-N 2.82Å; L165-H167 PolarHBondContact O-N 3.24Å; H167-M169 VanDerWaalsContact C-N 3.31Å; H167-M169 PolarHBondContact O-N 2.98Å; H167-N170 PolarHBondContact O-N 3.17Å; H167-A171 WeakPolarHBondContact O-CB 3.35Å; H167-A171 PolarHBondContact O-N 2.92Å; H167-V277 PolarHBondContact CE1-O 3.01Å; H167-V277 PolarHBondContact NE2-O 3.31Å; H167-V277 VanDerWaalsContact NE2-O 3.15Å; H167-N386 HydrophobicContact CB-CB 4.21Å; H167-N386 PolarHBondContact CD2-O 3.44Å; H167-N386 VanDerWaalsContact CE1-C 3.5Å; H167-N386 PolarHBondContact ND1-O 2.73Å; H167-N386 PolarHBondContact NE2-O 3.38Å
168	R	98.4	Very high	98.5	Very high	93 Å²	93	24.2 Å²	24.2	35%	0.351	12%	0.115	S	C	.	.	H	α-helix	trans	-62.2	-36.5	-179.2	-76.4	-178.2	-68.1	179.1	-5.3	112.7	S164 L165 R172 V239	S164-R168 WeakPolarHBondContact O-CB 3.09Å; S164-R168 VanDerWaalsContact O-CG 3.24Å; S164-R168 WeakPolarHBondContact O-CG 3.34Å; S164-R168 PolarHBondContact O-N 3.37Å; S164-R168 VanDerWaalsContact O-N 3.15Å; S164-R168 PolarHBondContact O-NE 3.5Å; L165-R168 PolarHBondContact O-N 2.78Å; R168-R172 WeakPolarHBondContact O-CB 3.47Å; R168-R172 PolarHBondContact O-N 2.71Å; R168-V239 HydrophobicContact CB-CG1 3.5Å; R168-V239 HydrophobicContact CB-CG2 4.36Å
169	M	98.7	Very high	98.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-64.7	-45.5	175.3	-75	-174.9	-93.4	0	0	111.9	L165 A166 H167 R172 Y173 C191 I193 V212 F214 V235 I236 V239 V240	L165-M169 HydrophobicContact CB-CE 4.16Å; L165-M169 WeakPolarHBondContact O-CE 3.45Å; L165-M169 WeakPolarHBondContact O-CG 3.43Å; L165-M169 PolarHBondContact O-N 2.9Å; A166-M169 PolarHBondContact O-N 3.32Å; H167-M169 VanDerWaalsContact C-N 3.31Å; H167-M169 PolarHBondContact O-N 2.98Å; M169-R172 PolarHBondContact O-N 2.84Å; M169-Y173 WeakPolarHBondContact O-CB 3.4Å; M169-Y173 PolarHBondContact O-N 3.37Å; M169-C191 WeakPolarHBondContact CE-SG 3.48Å; M169-C191 VanDerWaalsContact SD-SG 3.63Å; M169-I193 HydrophobicContact CE-CB 4.41Å; M169-I193 HydrophobicContact CE-CD1 4.05Å; M169-V212 HydrophobicContact CE-CG1 4.12Å; M169-V212 HydrophobicContact CE-CG2 4.43Å; M169-V212 HydrophobicContact SD-CG1 3.8Å; M169-F214 HydrophobicContact CB-CD2 4.21Å; M169-F214 HydrophobicContact CB-CE2 3.83Å; M169-V235 HydrophobicContact CB-CG1 4.09Å; M169-V235 HydrophobicContact CG-CG1 4.41Å; M169-V235 VanDerWaalsContact O-CG1 3.3Å; M169-V235 WeakPolarHBondContact O-CG1 3.25Å; M169-I236 HydrophobicContact SD-CB 4.43Å; M169-I236 HydrophobicContact SD-CG1 4.02Å; M169-I236 HydrophobicContact SD-CG2 4.38Å; M169-V239 HydrophobicContact CG-CB 3.86Å; M169-V239 HydrophobicContact CG-CG1 3.69Å; M169-V239 HydrophobicContact CG-CG2 4.21Å; M169-V240 HydrophobicContact CE-CG2 4.32Å
170	N	98.5	Very high	98.5	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-64.2	-43.2	175.7	-80.2	-43.1	0	0	0	112.4	S33 V34 A166 H167 R172 Y173 R174 S189	S33-N170 WeakPolarHBondContact CB-ND2 3.41Å; S33-N170 PolarHBondContact O-ND2 3.31Å; S33-N170 VanDerWaalsContact O-ND2 3.11Å; S33-N170 PolarHBondContact OG-ND2 2.94Å; V34-N170 VanDerWaalsContact C-ND2 3.29Å; V34-N170 WeakPolarHBondContact CA-ND2 3.05Å; V34-N170 PolarHBondContact N-ND2 2.94Å; A166-N170 PolarHBondContact O-N 3.37Å; A166-N170 PolarHBondContact O-ND2 2.86Å; H167-N170 PolarHBondContact O-N 3.17Å; N170-R172 VanDerWaalsContact C-N 3.31Å; N170-R172 PolarHBondContact O-N 3.47Å; N170-Y173 PolarHBondContact O-N 2.86Å; N170-R174 PolarHBondContact O-N 3.07Å; N170-S189 PolarHBondContact OD1-OG 3.45Å
171	A	98.1	Very high	98.5	Very high	29 Å²	29	33.8 Å²	33.8	24%	0.24	18%	0.179	C	C	.	.	H	α-helix	trans	-61.4	-39.8	176.2	0	0	0	0	0	112.1	H167 R174 T175	H167-A171 WeakPolarHBondContact O-CB 3.35Å; H167-A171 PolarHBondContact O-N 2.92Å; A171-R174 PolarHBondContact O-N 3.37Å; A171-T175 PolarHBondContact O-N 3.25Å; A171-T175 PolarHBondContact O-OG1 2.68Å
172	R	98.5	Very high	98.5	Very high	88 Å²	88	33.5 Å²	33.5	33%	0.332	18%	0.178	S	C	.	.	H	α-helix	trans	-68	-45.2	176.8	-174.4	168	179	85.7	11.6	112.1	R168 M169 N170 R174 T175 L176 L234 P238 V239	R168-R172 WeakPolarHBondContact O-CB 3.47Å; R168-R172 PolarHBondContact O-N 2.71Å; M169-R172 PolarHBondContact O-N 2.84Å; N170-R172 VanDerWaalsContact C-N 3.31Å; N170-R172 PolarHBondContact O-N 3.47Å; R172-R174 VanDerWaalsContact C-N 3.31Å; R172-R174 PolarHBondContact O-N 3.3Å; R172-T175 WeakPolarHBondContact O-CB 3.18Å; R172-T175 PolarHBondContact O-N 3.48Å; R172-T175 VanDerWaalsContact O-N 3.12Å; R172-L176 HydrophobicContact CG-CD1 4.34Å; R172-L176 WeakPolarHBondContact O-CG 3.41Å; R172-L176 PolarHBondContact O-N 3.18Å; R172-L234 VanDerWaalsContact CZ-O 3.28Å; R172-L234 PolarHBondContact NE-O 2.72Å; R172-L234 PolarHBondContact NH2-O 2.76Å; R172-L234 VanDerWaalsContact NH2-O 3.08Å; R172-P238 VanDerWaalsContact CZ-CB 3.43Å; R172-V239 HydrophobicContact CB-CG2 4.18Å; R172-V239 VanDerWaalsContact CD-CG2 3.44Å; R172-V239 HydrophobicContact CG-CG2 4.48Å
173	Y	98.8	Very high	98.4	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.008	21%	0.211	C	C	.	.	H	α-helix	trans	-56.8	-45.1	174.3	173.7	-101.8	0	0	0	111.8	M169 N170 T175 L176 R177 L182 W184 A185 R186 F214 C216 Q217 V235	M169-Y173 WeakPolarHBondContact O-CB 3.4Å; M169-Y173 PolarHBondContact O-N 3.37Å; N170-Y173 PolarHBondContact O-N 2.86Å; Y173-T175 PolarHBondContact O-N 3.13Å; Y173-L176 PolarHBondContact O-N 2.85Å; Y173-R177 PolarHBondContact O-N 3.46Å; Y173-L182 HydrophobicContact CD2-CD1 4.22Å; Y173-L182 HydrophobicContact CE2-CD1 4.37Å; Y173-W184 HydrophobicContact CE2-CH2 4.42Å; Y173-W184 HydrophobicContact CE2-CZ3 4.26Å; Y173-A185 HydrophobicContact CE2-CB 3.73Å; Y173-A185 WeakPolarHBondContact OH-CA 3.38Å; Y173-A185 VanDerWaalsContact OH-CB 3.31Å; Y173-A185 WeakPolarHBondContact OH-CB 3.46Å; Y173-R186 VanDerWaalsContact CE1-O 3.31Å; Y173-R186 WeakPolarHBondContact CE1-O 3.34Å; Y173-R186 PolarHBondContact OH-N 2.93Å; Y173-R186 VanDerWaalsContact OH-N 3.17Å; Y173-R186 PolarHBondContact OH-O 3.31Å; Y173-F214 HydrophobicContact CD1-CZ 4.5Å; Y173-F214 AromaticContact CD2-CE1 3.99Å; Y173-F214 HydrophobicContact CD2-CE1 3.99Å; Y173-F214 HydrophobicContact CD2-CZ 4.32Å; Y173-F214 HydrophobicContact CG-CE1 4.02Å; Y173-F214 AromaticContact CG-CZ 3.92Å; Y173-F214 HydrophobicContact CG-CZ 3.92Å; Y173-C216 HydrophobicContact CD2-CB 4.31Å; Y173-C216 HydrophobicContact CE1-CB 4.21Å; Y173-C216 HydrophobicContact CE2-CB 3.67Å; Y173-Q217 PolarHBondContact OH-O 2.8Å; Y173-V235 HydrophobicContact CD2-CG2 4.4Å
174	R	98.2	Very high	98.4	Very high	36 Å²	36	39.8 Å²	39.8	14%	0.136	22%	0.215	C	C	.	.	H	α-helix	trans	-56.5	-48.5	172.7	174.8	-177.1	-179.2	-174.6	-3.1	112	V36 N170 A171 R172 L176 R177 E178 E385	V36-R174 HydrophobicContact CG2-CG 4.41Å; N170-R174 PolarHBondContact O-N 3.07Å; A171-R174 PolarHBondContact O-N 3.37Å; R172-R174 VanDerWaalsContact C-N 3.31Å; R172-R174 PolarHBondContact O-N 3.3Å; R174-L176 VanDerWaalsContact C-N 3.31Å; R174-L176 PolarHBondContact O-N 2.95Å; R174-R177 WeakPolarHBondContact O-CB 3.43Å; R174-R177 PolarHBondContact O-N 3.12Å; R174-R177 VanDerWaalsContact O-N 3.17Å; R174-E178 HydrophobicContact CG-CG 4.3Å; R174-E178 VanDerWaalsContact CG-OE1 3.32Å; R174-E178 WeakPolarHBondContact CG-OE1 3.22Å; R174-E178 IonicContact CZ-OE1 2.63Å; R174-E178 IonicContact NE-OE1 2.65Å; R174-E178 PolarHBondContact NE-OE1 2.93Å; R174-E178 IonicContact NE-OE2 3.97Å; R174-E178 PolarHBondContact NE-OE2 3.34Å; R174-E178 IonicContact NH2-OE1 3.04Å; R174-E178 WeakPolarHBondContact O-CB 3.17Å; R174-E178 WeakPolarHBondContact O-CG 3.36Å; R174-E178 PolarHBondContact O-N 3.2Å; R174-E385 IonicContact CZ-OE2 2.8Å; R174-E385 VanDerWaalsContact NH1-CD 3.27Å; R174-E385 IonicContact NH1-OE1 3.96Å; R174-E385 IonicContact NH1-OE2 3.66Å; R174-E385 PolarHBondContact NH1-OE2 2.87Å; R174-E385 IonicContact NH2-OE2 3.22Å
175	T	98.6	Very high	98.4	Very high	80 Å²	80	39.5 Å²	39.5	49%	0.491	21%	0.214	S	C	.	.	H	α-helix	trans	-58.2	-45.1	-179.3	-58.6	0	0	0	0	111.4	A171 R172 Y173 R177 E178 N179	A171-T175 PolarHBondContact O-N 3.25Å; A171-T175 PolarHBondContact O-OG1 2.68Å; R172-T175 WeakPolarHBondContact O-CB 3.18Å; R172-T175 PolarHBondContact O-N 3.48Å; R172-T175 VanDerWaalsContact O-N 3.12Å; Y173-T175 PolarHBondContact O-N 3.13Å; T175-R177 VanDerWaalsContact C-N 3.33Å; T175-R177 PolarHBondContact O-N 3.32Å; T175-E178 PolarHBondContact O-N 2.72Å; T175-N179 WeakPolarHBondContact O-CB 3.39Å; T175-N179 PolarHBondContact O-N 2.88Å; T175-N179 PolarHBondContact O-ND2 2.99Å; T175-N179 PolarHBondContact O-OD1 2.92Å
176	L	98.7	Very high	98.4	Very high	15 Å²	15	40.6 Å²	40.6	8%	0.079	22%	0.218	C	C	.	.	H	α-helix	trans	-70.4	-27.8	179.4	-62.4	175.9	0	0	0	113.5	R172 Y173 R174 N179 T181 L182 L234 V235	R172-L176 HydrophobicContact CG-CD1 4.34Å; R172-L176 WeakPolarHBondContact O-CG 3.41Å; R172-L176 PolarHBondContact O-N 3.18Å; Y173-L176 PolarHBondContact O-N 2.85Å; R174-L176 VanDerWaalsContact C-N 3.31Å; R174-L176 PolarHBondContact O-N 2.95Å; L176-N179 VanDerWaalsContact CA-OD1 3.28Å; L176-N179 WeakPolarHBondContact CA-OD1 3.39Å; L176-N179 PolarHBondContact O-OD1 2.78Å; L176-T181 HydrophobicContact CD2-CG2 3.98Å; L176-T181 PolarHBondContact O-N 3.46Å; L176-T181 VanDerWaalsContact O-N 3.11Å; L176-L182 HydrophobicContact CB-CB 4.44Å; L176-L182 HydrophobicContact CB-CD1 3.83Å; L176-L182 HydrophobicContact CB-CG 3.89Å; L176-L182 HydrophobicContact CD1-CD1 3.99Å; L176-L182 HydrophobicContact CD1-CG 4.42Å; L176-L182 PolarHBondContact O-N 3.13Å; L176-L234 HydrophobicContact CD1-CB 3.74Å; L176-L234 WeakPolarHBondContact CD1-O 3.48Å; L176-V235 HydrophobicContact CD1-CG2 3.83Å
177	R	98.4	Very high	98.3	Very high	32 Å²	32	40.8 Å²	40.8	12%	0.121	22%	0.219	C	C	.	.	H	α-helix	trans	-68.5	-49.7	170.1	177.7	179.8	62.4	67.7	3	110.6	V99 Y173 R174 T175 G180 A185	V99-R177 PolarHBondContact O-NH2 3.17Å; Y173-R177 PolarHBondContact O-N 3.46Å; R174-R177 WeakPolarHBondContact O-CB 3.43Å; R174-R177 PolarHBondContact O-N 3.12Å; R174-R177 VanDerWaalsContact O-N 3.17Å; T175-R177 VanDerWaalsContact C-N 3.33Å; T175-R177 PolarHBondContact O-N 3.32Å; R177-G180 PolarHBondContact O-N 3.22Å; R177-A185 HydrophobicContact CB-CB 3.71Å; R177-A185 WeakPolarHBondContact CD-O 3.16Å; R177-A185 HydrophobicContact CG-CB 3.83Å; R177-A185 WeakPolarHBondContact CG-O 3.5Å
178	E	97.9	Very high	98.3	Very high	95 Å²	95	40.4 Å²	40.4	44%	0.444	22%	0.218	S	C	.	.	H	α-helix	trans	-72.2	-30.8	-172.1	-72.6	174.8	179.4	0	0	113.1	R174 T175 G180	R174-E178 HydrophobicContact CG-CG 4.3Å; R174-E178 VanDerWaalsContact CG-OE1 3.32Å; R174-E178 WeakPolarHBondContact CG-OE1 3.22Å; R174-E178 IonicContact CZ-OE1 2.63Å; R174-E178 IonicContact NE-OE1 2.65Å; R174-E178 PolarHBondContact NE-OE1 2.93Å; R174-E178 IonicContact NE-OE2 3.97Å; R174-E178 PolarHBondContact NE-OE2 3.34Å; R174-E178 IonicContact NH2-OE1 3.04Å; R174-E178 WeakPolarHBondContact O-CB 3.17Å; R174-E178 WeakPolarHBondContact O-CG 3.36Å; R174-E178 PolarHBondContact O-N 3.2Å; T175-E178 PolarHBondContact O-N 2.72Å; E178-G180 VanDerWaalsContact C-N 3.34Å
179	N	98.2	Very high	98.3	Very high	94 Å²	94	36.1 Å²	36.1	50%	0.503	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-0.9	175.6	73.7	7.1	0	0	0	113.9	T175 L176 T181	T175-N179 WeakPolarHBondContact O-CB 3.39Å; T175-N179 PolarHBondContact O-N 2.88Å; T175-N179 PolarHBondContact O-ND2 2.99Å; T175-N179 PolarHBondContact O-OD1 2.92Å; L176-N179 VanDerWaalsContact CA-OD1 3.28Å; L176-N179 WeakPolarHBondContact CA-OD1 3.39Å; L176-N179 PolarHBondContact O-OD1 2.78Å; N179-T181 VanDerWaalsContact C-N 3.35Å; N179-T181 PolarHBondContact O-N 3.22Å; N179-T181 WeakPolarHBondContact OD1-CB 3.39Å; N179-T181 PolarHBondContact OD1-N 2.88Å; N179-T181 PolarHBondContact OD1-OG1 3.39Å
180	G	98.1	Very high	98.3	Very high	43 Å²	43	40.4 Å²	40.4	44%	0.443	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.8	4.3	178.4	0	0	0	0	0	116	R177 E178 L182 P183	R177-G180 PolarHBondContact O-N 3.22Å; E178-G180 VanDerWaalsContact C-N 3.34Å; G180-L182 PolarHBondContact O-N 3.17Å; G180-P183 WeakPolarHBondContact O-CD 3.41Å
181	T	98.6	Very high	98.3	Very high	70 Å²	70	40.5 Å²	40.5	43%	0.429	22%	0.221	S	C	.	.	S	Bend	trans	-59.9	-37.6	173.2	-62.4	0	0	0	0	111.5	L176 N179 P183 L234	L176-T181 HydrophobicContact CD2-CG2 3.98Å; L176-T181 PolarHBondContact O-N 3.46Å; L176-T181 VanDerWaalsContact O-N 3.11Å; N179-T181 VanDerWaalsContact C-N 3.35Å; N179-T181 PolarHBondContact O-N 3.22Å; N179-T181 WeakPolarHBondContact OD1-CB 3.39Å; N179-T181 PolarHBondContact OD1-N 2.88Å; N179-T181 PolarHBondContact OD1-OG1 3.39Å; T181-P183 VanDerWaalsContact O-CD 3.31Å; T181-P183 WeakPolarHBondContact O-CD 3.5Å; T181-L234 HydrophobicContact CG2-CD1 4.07Å
182	L	98.6	Very high	98.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.225	C	C	.	.	S	Bend	trans	-112.1	79.9	172.5	-62	179.6	0	0	0	109.4	Y173 L176 G180 W184 A185 Q230 L234	Y173-L182 HydrophobicContact CD2-CD1 4.22Å; Y173-L182 HydrophobicContact CE2-CD1 4.37Å; L176-L182 HydrophobicContact CB-CB 4.44Å; L176-L182 HydrophobicContact CB-CD1 3.83Å; L176-L182 HydrophobicContact CB-CG 3.89Å; L176-L182 HydrophobicContact CD1-CD1 3.99Å; L176-L182 HydrophobicContact CD1-CG 4.42Å; L176-L182 PolarHBondContact O-N 3.13Å; G180-L182 PolarHBondContact O-N 3.17Å; L182-W184 HydrophobicContact CB-CZ2 4.32Å; L182-W184 HydrophobicContact CD1-CH2 4.27Å; L182-W184 HydrophobicContact CD1-CZ2 4.13Å; L182-W184 HydrophobicContact CD2-CZ2 3.69Å; L182-W184 HydrophobicContact CG-CZ2 4.26Å; L182-W184 PolarHBondContact O-N 3.49Å; L182-W184 VanDerWaalsContact O-N 3.15Å; L182-A185 HydrophobicContact CB-CB 3.76Å; L182-A185 WeakPolarHBondContact O-CB 3.48Å; L182-A185 PolarHBondContact O-N 3.41Å; L182-Q230 HydrophobicContact CD2-CB 3.95Å; L182-L234 HydrophobicContact CD2-CD1 3.98Å
183	P	97.5	Very high	98.4	Very high	109 Å²	109	38.2 Å²	38.2	71%	0.708	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-20.7	-172.8	27.6	-35.3	0	0	0	113.2	G180 T181	G180-P183 WeakPolarHBondContact O-CD 3.41Å; T181-P183 VanDerWaalsContact O-CD 3.31Å; T181-P183 WeakPolarHBondContact O-CD 3.5Å
184	W	97.9	Very high	98.4	Very high	23 Å²	23	38.7 Å²	38.7	9%	0.087	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-13.5	175.6	54.2	-102.2	0	0	0	113.3	Y173 L182 H218 S219 V222 V227 Q230 V231	Y173-W184 HydrophobicContact CE2-CH2 4.42Å; Y173-W184 HydrophobicContact CE2-CZ3 4.26Å; L182-W184 HydrophobicContact CB-CZ2 4.32Å; L182-W184 HydrophobicContact CD1-CH2 4.27Å; L182-W184 HydrophobicContact CD1-CZ2 4.13Å; L182-W184 HydrophobicContact CD2-CZ2 3.69Å; L182-W184 HydrophobicContact CG-CZ2 4.26Å; L182-W184 PolarHBondContact O-N 3.49Å; L182-W184 VanDerWaalsContact O-N 3.15Å; W184-H218 HydrophobicContact CE3-CB 3.5Å; W184-H218 HydrophobicContact CZ3-CB 3.85Å; W184-H218 CarbonylContact O-C 3.51Å; W184-H218 WeakPolarHBondContact O-CA 3.35Å; W184-S219 PolarHBondContact O-N 2.88Å; W184-V222 HydrophobicContact CB-CB 3.78Å; W184-V222 HydrophobicContact CB-CG1 3.66Å; W184-V222 HydrophobicContact CB-CG2 4.38Å; W184-V222 HydrophobicContact CD2-CB 4.36Å; W184-V222 HydrophobicContact CD2-CG1 3.88Å; W184-V222 HydrophobicContact CD2-CG2 4.21Å; W184-V222 HydrophobicContact CE3-CG1 4.08Å; W184-V222 HydrophobicContact CG-CB 3.8Å; W184-V222 HydrophobicContact CG-CG1 3.71Å; W184-V222 HydrophobicContact CG-CG2 3.86Å; W184-V227 HydrophobicContact CD2-CG2 4.38Å; W184-V227 HydrophobicContact CE3-CG2 4.13Å; W184-V227 HydrophobicContact CH2-CB 4.21Å; W184-V227 HydrophobicContact CH2-CG1 3.83Å; W184-V227 HydrophobicContact CH2-CG2 4.02Å; W184-V227 HydrophobicContact CZ2-CB 4.5Å; W184-V227 HydrophobicContact CZ2-CG2 4.23Å; W184-V227 HydrophobicContact CZ3-CG1 4.08Å; W184-V227 HydrophobicContact CZ3-CG2 3.96Å; W184-Q230 HydrophobicContact CZ2-CB 4.27Å; W184-V231 HydrophobicContact CH2-CG2 3.87Å
185	A	98.5	Very high	98.4	Very high	7 Å²	7	37 Å²	37	6%	0.058	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	134.8	-174.6	0	0	0	0	0	111.2	Y173 R177 L182	Y173-A185 HydrophobicContact CE2-CB 3.73Å; Y173-A185 WeakPolarHBondContact OH-CA 3.38Å; Y173-A185 VanDerWaalsContact OH-CB 3.31Å; Y173-A185 WeakPolarHBondContact OH-CB 3.46Å; R177-A185 HydrophobicContact CB-CB 3.71Å; R177-A185 WeakPolarHBondContact CD-O 3.16Å; R177-A185 HydrophobicContact CG-CB 3.83Å; R177-A185 WeakPolarHBondContact CG-O 3.5Å; L182-A185 HydrophobicContact CB-CB 3.76Å; L182-A185 WeakPolarHBondContact O-CB 3.48Å; L182-A185 PolarHBondContact O-N 3.41Å
186	R	98.5	Very high	98.3	Very high	24 Å²	24	35.5 Å²	35.5	9%	0.091	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	165.2	175.3	-64	-177.6	173.5	-170.4	-10.8	110.9	S105 K106 Y173 D188 Q217 H218 T260	S105-R186 PolarHBondContact O-NH1 3.44Å; S105-R186 PolarHBondContact O-NH2 2.88Å; S105-R186 VanDerWaalsContact O-NH2 3.13Å; K106-R186 HydrophobicContact CG-CG 4.37Å; Y173-R186 VanDerWaalsContact CE1-O 3.31Å; Y173-R186 WeakPolarHBondContact CE1-O 3.34Å; Y173-R186 PolarHBondContact OH-N 2.93Å; Y173-R186 VanDerWaalsContact OH-N 3.17Å; Y173-R186 PolarHBondContact OH-O 3.31Å; R186-D188 PolarHBondContact O-N 2.78Å; R186-Q217 HydrophobicContact CB-CB 3.81Å; R186-Q217 VanDerWaalsContact CB-CD 3.41Å; R186-Q217 HydrophobicContact CB-CG 3.59Å; R186-Q217 WeakPolarHBondContact CB-O 3.33Å; R186-Q217 HydrophobicContact CG-CG 4.39Å; R186-Q217 PolarHBondContact N-O 3.32Å; R186-H218 WeakPolarHBondContact CD-O 3.34Å; R186-H218 PolarHBondContact NE-O 3.46Å; R186-T260 PolarHBondContact NH1-O 2.93Å
187	P	98.2	Very high	98.3	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.019	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	-35.4	-165.1	-29.1	38.1	0	0	0	116.9	G37 V99 G100 F101	G37-P187 VanDerWaalsContact CA-O 3.3Å; G37-P187 WeakPolarHBondContact CA-O 3.32Å; G37-P187 PolarHBondContact N-O 3.37Å; V99-P187 HydrophobicContact CG1-CB 4.16Å; V99-P187 WeakPolarHBondContact O-CB 3.39Å; G100-P187 WeakPolarHBondContact O-CG 3.47Å; F101-P187 HydrophobicContact CD1-CG 4.12Å; F101-P187 HydrophobicContact CE1-CB 4.12Å; F101-P187 HydrophobicContact CE1-CG 4.04Å; F101-P187 HydrophobicContact CE2-CB 4.19Å; F101-P187 HydrophobicContact CG-CG 4.45Å; F101-P187 HydrophobicContact CZ-CB 3.89Å; F101-P187 HydrophobicContact CZ-CG 4.29Å
188	D	98.3	Very high	98.1	Very high	5 Å²	5	35 Å²	35	3%	0.027	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	128	-172.5	-170.4	8.3	0	0	0	111.5	N38 R186 Q217 Y259 G262 G263	N38-D188 WeakPolarHBondContact CA-OD1 3.2Å; R186-D188 PolarHBondContact O-N 2.78Å; D188-Q217 HydrophobicContact CB-CB 3.95Å; D188-Q217 WeakPolarHBondContact O-CB 3.38Å; D188-Q217 PolarHBondContact O-N 2.79Å; D188-Y259 VanDerWaalsContact CG-OH 3.23Å; D188-Y259 PolarHBondContact OD2-OH 2.92Å; D188-G262 WeakPolarHBondContact OD2-CA 3.4Å; D188-G263 PolarHBondContact OD2-N 3.38Å
189	S	98.5	Very high	97.9	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.014	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	155.8	177.9	69.6	0	0	0	0	111.4	V34 G35 N170 S215	V34-S189 CarbonylContact C-O 3.57Å; V34-S189 WeakPolarHBondContact CA-O 3.29Å; G35-S189 WeakPolarHBondContact CA-OG 3.33Å; G35-S189 PolarHBondContact N-O 3.21Å; N170-S189 PolarHBondContact OD1-OG 3.45Å; S189-S215 CarbonylContact C-O 3.56Å; S189-S215 VanDerWaalsContact CA-O 3.28Å; S189-S215 WeakPolarHBondContact CA-O 3.43Å
190	K	98.6	Very high	97.5	Very high	91 Å²	91	31 Å²	31	40%	0.396	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	141.4	179.7	-52.7	178.9	-172.8	168.6	0	108.9	S33 V34 F214 S215 Y259	S33-K190 WeakPolarHBondContact O-CA 3.06Å; V34-K190 HydrophobicContact CG1-CG 4.12Å; K190-F214 WeakPolarHBondContact O-CA 3.47Å; K190-S215 PolarHBondContact N-O 2.82Å; K190-S215 PolarHBondContact O-N 3.24Å; K190-Y259 WeakPolarHBondContact CE-OH 3.27Å
191	C	98.6	Very high	97.1	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.014	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	130.7	175.9	-178.7	0	0	0	0	109.2	E32 S33 A166 M169 I213 F214	E32-C191 CarbonylContact C-O 3.58Å; E32-C191 WeakPolarHBondContact CA-O 3.45Å; E32-C191 WeakPolarHBondContact CB-O 3.24Å; S33-C191 PolarHBondContact N-O 2.89Å; S33-C191 PolarHBondContact O-N 3.29Å; A166-C191 HydrophobicContact CB-CB 4.39Å; M169-C191 WeakPolarHBondContact CE-SG 3.48Å; M169-C191 VanDerWaalsContact SD-SG 3.63Å; C191-I213 CarbonylContact C-O 3.52Å; C191-I213 WeakPolarHBondContact CA-O 3.22Å; C191-F214 HydrophobicContact CB-CD2 3.69Å; C191-F214 HydrophobicContact CB-CE2 3.86Å
192	Q	98.8	Very high	96.7	Very high	70 Å²	70	29.1 Å²	29.1	33%	0.327	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	135.6	169.2	-174.7	-176.8	-73.5	0	0	108.2	T30 E32 V212 I213	T30-Q192 HydrophobicContact CG2-CG 3.42Å; T30-Q192 VanDerWaalsContact CG2-CG 3.42Å; E32-Q192 HydrophobicContact CB-CB 4.31Å; E32-Q192 HydrophobicContact CB-CG 4.39Å; Q192-V212 WeakPolarHBondContact O-CA 3.24Å; Q192-I213 HydrophobicContact CB-CB 4.36Å; Q192-I213 PolarHBondContact N-O 3.11Å; Q192-I213 PolarHBondContact O-N 2.97Å
193	I	98.7	Very high	96.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	129.6	179.3	-175.3	170.6	0	0	0	110.4	T30 S31 T162 L165 A166 M169 M195 L209 S211 V212	T30-I193 VanDerWaalsContact CA-O 3.29Å; T30-I193 WeakPolarHBondContact CA-O 3.19Å; T30-I193 WeakPolarHBondContact CG2-O 3.32Å; S31-I193 PolarHBondContact N-O 2.86Å; S31-I193 PolarHBondContact O-N 2.98Å; T162-I193 WeakPolarHBondContact O-CG2 3.44Å; L165-I193 HydrophobicContact CB-CD1 3.63Å; L165-I193 HydrophobicContact CD1-CD1 3.44Å; L165-I193 VanDerWaalsContact CD1-CD1 3.44Å; L165-I193 HydrophobicContact CG-CD1 4.16Å; A166-I193 HydrophobicContact CB-CG2 4.09Å; M169-I193 HydrophobicContact CE-CB 4.41Å; M169-I193 HydrophobicContact CE-CD1 4.05Å; I193-M195 HydrophobicContact CD1-CG 4.35Å; I193-M195 HydrophobicContact CD1-SD 4.13Å; I193-M195 HydrophobicContact CG1-CG 4.27Å; I193-M195 HydrophobicContact CG1-SD 4.38Å; I193-L209 HydrophobicContact CD1-CD1 3.7Å; I193-L209 HydrophobicContact CG1-CD1 3.6Å; I193-S211 WeakPolarHBondContact CA-O 3.45Å; I193-V212 HydrophobicContact CD1-CG2 4.25Å; I193-V212 HydrophobicContact CG1-CG2 4.13Å
194	T	98.8	Very high	96.4	Very high	12 Å²	12	23.9 Å²	23.9	7%	0.074	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	123.9	173.2	-53.9	0	0	0	0	108.9	L28 F29 T30 Q210 S211	L28-T194 HydrophobicContact CB-CG2 3.96Å; L28-T194 HydrophobicContact CD1-CG2 4.47Å; L28-T194 HydrophobicContact CD2-CG2 4.43Å; F29-T194 WeakPolarHBondContact O-CA 3.3Å; T30-T194 WeakPolarHBondContact CG2-OG1 3.36Å; T30-T194 WeakPolarHBondContact OG1-CB 3.23Å; T30-T194 WeakPolarHBondContact OG1-CG2 3.44Å; T30-T194 PolarHBondContact OG1-OG1 3.01Å; T194-Q210 HydrophobicContact CG2-CB 3.95Å; T194-Q210 HydrophobicContact CG2-CG 4.12Å; T194-Q210 WeakPolarHBondContact O-CB 3.37Å; T194-Q210 PolarHBondContact O-N 3.37Å; T194-S211 VanDerWaalsContact CB-OG 3.32Å; T194-S211 WeakPolarHBondContact CB-OG 3.32Å; T194-S211 PolarHBondContact N-O 2.75Å; T194-S211 PolarHBondContact O-N 3.35Å; T194-S211 VanDerWaalsContact O-N 3.07Å; T194-S211 PolarHBondContact OG1-OG 3.3Å
195	M	98.4	Very high	96.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	143	176.1	-67.5	-66.8	-60.8	0	0	109.4	L28 F29 L161 T162 L165 I193 Y197 P206 H208 L209 Y244	L28-M195 WeakPolarHBondContact CA-O 3.2Å; F29-M195 PolarHBondContact N-O 2.71Å; F29-M195 PolarHBondContact O-N 3.12Å; L161-M195 HydrophobicContact CD2-CE 4.09Å; T162-M195 HydrophobicContact CG2-CB 3.75Å; T162-M195 HydrophobicContact CG2-CG 3.59Å; L165-M195 HydrophobicContact CD1-SD 4.45Å; I193-M195 HydrophobicContact CD1-CG 4.35Å; I193-M195 HydrophobicContact CD1-SD 4.13Å; I193-M195 HydrophobicContact CG1-CG 4.27Å; I193-M195 HydrophobicContact CG1-SD 4.38Å; M195-Y197 HydrophobicContact CB-CD2 3.92Å; M195-Y197 HydrophobicContact CB-CE2 3.4Å; M195-Y197 HydrophobicContact CG-CE2 4.36Å; M195-Y197 WeakPolarHBondContact O-CD2 3.11Å; M195-P206 HydrophobicContact CE-CB 4.22Å; M195-H208 CarbonylContact C-O 3.51Å; M195-H208 WeakPolarHBondContact CA-O 3.46Å; M195-H208 WeakPolarHBondContact CE-O 3.44Å; M195-L209 HydrophobicContact SD-CB 3.95Å; M195-L209 HydrophobicContact SD-CD1 3.65Å; M195-L209 HydrophobicContact SD-CG 4.46Å; M195-Y244 HydrophobicContact CE-CD1 3.97Å; M195-Y244 HydrophobicContact CE-CD2 4.25Å; M195-Y244 HydrophobicContact CE-CE1 4.49Å; M195-Y244 HydrophobicContact CE-CG 3.84Å
196	E	97.7	Very high	96.3	Very high	48 Å²	48	25 Å²	25	22%	0.224	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	135.9	163.9	-173.3	-176.4	-169.8	0	0	109.5	N26 F27 L28 R207 H208	N26-E196 HydrophobicContact CB-CG 4.02Å; N26-E196 WeakPolarHBondContact CB-OE1 3.47Å; N26-E196 PolarHBondContact ND2-OE1 3.42Å; F27-E196 CarbonylContact O-C 3.56Å; F27-E196 WeakPolarHBondContact O-CA 3.41Å; L28-E196 HydrophobicContact CD2-CB 3.93Å; L28-E196 HydrophobicContact CD2-CG 4.34Å; E196-R207 HydrophobicContact CB-CB 4.47Å; E196-R207 HydrophobicContact CG-CB 4.39Å; E196-R207 PolarHBondContact O-N 3.2Å; E196-H208 HydrophobicContact CB-CB 4.13Å; E196-H208 PolarHBondContact N-O 3.06Å; E196-H208 PolarHBondContact O-N 3.46Å; E196-H208 IonicContact OE2-CD2 3.89Å
197	Y	97.2	Very high	96.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	159	-179.5	-77.9	-89.1	0	0	0	110.8	N26 F27 F29 E154 T162 M195 C204 I205 P206 W283	N26-Y197 CarbonylContact C-O 3.5Å; N26-Y197 VanDerWaalsContact CA-O 3.24Å; N26-Y197 WeakPolarHBondContact CA-O 3.45Å; F27-Y197 WeakPolarHBondContact CD1-O 3.43Å; F27-Y197 HydrophobicContact CE2-CG 4.31Å; F27-Y197 HydrophobicContact CZ-CG 4.27Å; F27-Y197 PolarHBondContact N-O 2.66Å; F27-Y197 PolarHBondContact O-N 2.85Å; F29-Y197 HydrophobicContact CB-CD2 3.89Å; F29-Y197 HydrophobicContact CB-CE2 4.02Å; E154-Y197 WeakPolarHBondContact OE2-CE1 3.44Å; E154-Y197 PolarHBondContact OE2-OH 2.83Å; T162-Y197 HydrophobicContact CG2-CE2 3.73Å; M195-Y197 HydrophobicContact CB-CD2 3.92Å; M195-Y197 HydrophobicContact CB-CE2 3.4Å; M195-Y197 HydrophobicContact CG-CE2 4.36Å; M195-Y197 WeakPolarHBondContact O-CD2 3.11Å; Y197-C204 HydrophobicContact CD1-CB 4.23Å; Y197-C204 HydrophobicContact CE1-CB 4.3Å; Y197-I205 WeakPolarHBondContact CA-O 3.47Å; Y197-I205 VanDerWaalsContact CD1-C 3.49Å; Y197-I205 WeakPolarHBondContact CD1-O 3.43Å; Y197-P206 HydrophobicContact CD1-CB 4.11Å; Y197-P206 HydrophobicContact CE1-CB 3.59Å; Y197-P206 HydrophobicContact CE1-CG 4.19Å; Y197-W283 HydrophobicContact CD2-CH2 4.48Å; Y197-W283 HydrophobicContact CD2-CZ2 4.14Å; Y197-W283 HydrophobicContact CE1-CZ2 4.25Å; Y197-W283 HydrophobicContact CE2-CH2 4.47Å; Y197-W283 AromaticContact CE2-CZ2 3.74Å; Y197-W283 HydrophobicContact CE2-CZ2 3.74Å; Y197-W283 HydrophobicContact CG-CH2 4.48Å; Y197-W283 AromaticContact CZ-CZ2 3.82Å
198	N	94.6	Very high	96.2	Very high	38 Å²	38	31.4 Å²	31.4	20%	0.203	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	162.3	154.7	72.6	-48.6	0	0	0	109.5	I205 R207	N198-I205 PolarHBondContact N-O 3.38Å; N198-I205 VanDerWaalsContact N-O 3.16Å; N198-I205 PolarHBondContact O-N 2.68Å; N198-I205 WeakPolarHBondContact OD1-CB 3.16Å; N198-I205 PolarHBondContact OD1-O 3.25Å; N198-R207 VanDerWaalsContact OD1-CD 3.29Å; N198-R207 WeakPolarHBondContact OD1-CD 3.31Å
199	F	92.9	Very high	96.2	Very high	19 Å²	19	31.1 Å²	31.1	8%	0.083	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	146.1	169.8	-63	-59.5	0	0	0	110.7	Q21 I24 F27 A203	Q21-F199 HydrophobicContact CB-CB 4.1Å; Q21-F199 HydrophobicContact CB-CD2 3.33Å; Q21-F199 HydrophobicContact CB-CE2 3.82Å; Q21-F199 HydrophobicContact CB-CG 3.75Å; Q21-F199 HydrophobicContact CG-CD2 4.37Å; Q21-F199 HydrophobicContact CG-CE2 4.44Å; Q21-F199 WeakPolarHBondContact O-CD2 3.46Å; Q21-F199 VanDerWaalsContact OE1-CZ 3.31Å; I24-F199 HydrophobicContact CB-CD2 4.26Å; I24-F199 HydrophobicContact CD1-CD2 4.27Å; I24-F199 HydrophobicContact CD1-CE2 4.02Å; F27-F199 HydrophobicContact CD1-CD2 4.39Å; F27-F199 HydrophobicContact CD1-CE2 4.12Å; F27-F199 HydrophobicContact CE1-CD1 4.21Å; F27-F199 AromaticContact CE1-CD2 3.58Å; F27-F199 HydrophobicContact CE1-CD2 3.58Å; F27-F199 AromaticContact CE1-CE1 3.97Å; F27-F199 HydrophobicContact CE1-CE1 3.97Å; F27-F199 AromaticContact CE1-CE2 3.32Å; F27-F199 HydrophobicContact CE1-CE2 3.32Å; F27-F199 HydrophobicContact CE1-CG 4.04Å; F27-F199 AromaticContact CE1-CZ 3.54Å; F27-F199 HydrophobicContact CE1-CZ 3.54Å; F27-F199 HydrophobicContact CE2-CZ 4.14Å; F27-F199 HydrophobicContact CZ-CD1 4.23Å; F27-F199 HydrophobicContact CZ-CD2 4.19Å; F27-F199 AromaticContact CZ-CE1 3.6Å; F27-F199 HydrophobicContact CZ-CE1 3.6Å; F27-F199 AromaticContact CZ-CE2 3.58Å; F27-F199 HydrophobicContact CZ-CE2 3.58Å; F27-F199 HydrophobicContact CZ-CG 4.5Å; F27-F199 AromaticContact CZ-CZ 3.25Å; F27-F199 HydrophobicContact CZ-CZ 3.25Å; F199-A203 WeakPolarHBondContact CA-O 3.21Å
200	N	90.5	Very high	96.2	Very high	84 Å²	84	34 Å²	34	45%	0.449	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	103.4	169.8	178.6	6.1	0	0	0	108.7	G202 A203 I205	N200-G202 PolarHBondContact O-N 3.4Å; N200-A203 PolarHBondContact N-O 3.35Å; N200-A203 WeakPolarHBondContact O-CB 3.25Å; N200-A203 PolarHBondContact O-N 3.06Å; N200-A203 VanDerWaalsContact O-N 3.08Å; N200-I205 HydrophobicContact CB-CD1 4.32Å; N200-I205 HydrophobicContact CB-CG1 3.75Å
201	C	89.2	Confident	96.2	Very high	74 Å²	74	30.5 Å²	30.5	50%	0.5	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	47	-169.1	-56.7	0	0	0	0	111.2	D22 A203 T346	D22-C201 VanDerWaalsContact CG-N 3.29Å; D22-C201 VanDerWaalsContact OD1-CA 3.3Å; D22-C201 WeakPolarHBondContact OD1-CA 3.46Å; D22-C201 PolarHBondContact OD1-N 3.36Å; D22-C201 VanDerWaalsContact OD2-CA 3.24Å; D22-C201 WeakPolarHBondContact OD2-CA 3.32Å; D22-C201 PolarHBondContact OD2-N 3.47Å; D22-C201 VanDerWaalsContact OD2-N 3.13Å; C201-A203 PolarHBondContact O-N 3.37Å; C201-T346 VanDerWaalsContact O-CG2 3.31Å; C201-T346 WeakPolarHBondContact O-CG2 3.21Å
202	G	91	Very high	96.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	-9.5	-179.3	0	0	0	0	0	116.9	D22 N200 R322 Y344 T346	D22-G202 PolarHBondContact OD1-N 3.38Å; N200-G202 PolarHBondContact O-N 3.4Å; G202-R322 WeakPolarHBondContact O-CD 3.46Å; G202-R322 PolarHBondContact O-NH1 2.99Å; G202-Y344 WeakPolarHBondContact CA-O 3.42Å; G202-T346 VanDerWaalsContact C-CG2 3.48Å
203	A	94.7	Very high	96.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	138.4	173	0	0	0	0	0	110.4	F199 N200 C201 I205 R321 T346	F199-A203 WeakPolarHBondContact CA-O 3.21Å; N200-A203 PolarHBondContact N-O 3.35Å; N200-A203 WeakPolarHBondContact O-CB 3.25Å; N200-A203 PolarHBondContact O-N 3.06Å; N200-A203 VanDerWaalsContact O-N 3.08Å; C201-A203 PolarHBondContact O-N 3.37Å; A203-I205 HydrophobicContact CB-CD1 4.32Å; A203-I205 PolarHBondContact O-N 2.79Å; A203-R321 HydrophobicContact CB-CB 4.15Å; A203-T346 HydrophobicContact CB-CG2 4.06Å
204	C	95.4	Very high	96.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	118.3	178.1	-61.3	0	0	0	0	110.3	E154 Y197 W283 R322	E154-C204 HydrophobicContact CG-CB 4.01Å; E154-C204 VanDerWaalsContact CG-O 3.26Å; E154-C204 WeakPolarHBondContact CG-O 3.27Å; E154-C204 WeakPolarHBondContact OE1-CB 3.4Å; Y197-C204 HydrophobicContact CD1-CB 4.23Å; Y197-C204 HydrophobicContact CE1-CB 4.3Å; C204-W283 HydrophobicContact CB-CH2 4.32Å; C204-W283 HydrophobicContact CB-CZ3 4.45Å; C204-W283 WeakPolarHBondContact SG-CZ3 3.41Å; C204-R322 PolarHBondContact SG-NE 3.28Å
205	I	96.6	Very high	96.2	Very high	38 Å²	38	29.7 Å²	29.7	20%	0.195	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	107.3	-179.9	-50.2	-57.7	0	0	0	109.9	Y197 N198 N200 A203 R207	Y197-I205 WeakPolarHBondContact CA-O 3.47Å; Y197-I205 VanDerWaalsContact CD1-C 3.49Å; Y197-I205 WeakPolarHBondContact CD1-O 3.43Å; N198-I205 PolarHBondContact N-O 3.38Å; N198-I205 VanDerWaalsContact N-O 3.16Å; N198-I205 PolarHBondContact O-N 2.68Å; N198-I205 WeakPolarHBondContact OD1-CB 3.16Å; N198-I205 PolarHBondContact OD1-O 3.25Å; N200-I205 HydrophobicContact CB-CD1 4.32Å; N200-I205 HydrophobicContact CB-CG1 3.75Å; A203-I205 HydrophobicContact CB-CD1 4.32Å; A203-I205 PolarHBondContact O-N 2.79Å; I205-R207 PolarHBondContact O-N 3.3Å
206	P	97.6	Very high	96.2	Very high	16 Å²	16	29.7 Å²	29.7	10%	0.104	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	131.6	176.4	25	-31.3	0	0	0	110.6	L161 M195 Y197 Y244	L161-P206 HydrophobicContact CD2-CB 3.54Å; L161-P206 HydrophobicContact CD2-CG 3.68Å; M195-P206 HydrophobicContact CE-CB 4.22Å; Y197-P206 HydrophobicContact CD1-CB 4.11Å; Y197-P206 HydrophobicContact CE1-CB 3.59Å; Y197-P206 HydrophobicContact CE1-CG 4.19Å; P206-Y244 HydrophobicContact CB-CE1 4.06Å; P206-Y244 HydrophobicContact CG-CE1 4.3Å; P206-Y244 WeakPolarHBondContact CG-OH 3.44Å; P206-Y244 WeakPolarHBondContact O-CE1 3.43Å
207	R	96.4	Very high	96.2	Very high	143 Å²	143	27.4 Å²	27.4	54%	0.54	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	-50.9	-174.8	-59.2	-58.4	-69.1	-175.9	-4.5	112.7	E196 N198 I205	E196-R207 HydrophobicContact CB-CB 4.47Å; E196-R207 HydrophobicContact CG-CB 4.39Å; E196-R207 PolarHBondContact O-N 3.2Å; N198-R207 VanDerWaalsContact OD1-CD 3.29Å; N198-R207 WeakPolarHBondContact OD1-CD 3.31Å; I205-R207 PolarHBondContact O-N 3.3Å
208	H	97	Very high	96.3	Very high	17 Å²	17	27.7 Å²	27.7	8%	0.079	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	146.7	-169.4	171.5	52.5	0	0	0	111.5	M195 E196 Q210 Y244 N246 T248 S249	M195-H208 CarbonylContact C-O 3.51Å; M195-H208 WeakPolarHBondContact CA-O 3.46Å; M195-H208 WeakPolarHBondContact CE-O 3.44Å; E196-H208 HydrophobicContact CB-CB 4.13Å; E196-H208 PolarHBondContact N-O 3.06Å; E196-H208 PolarHBondContact O-N 3.46Å; E196-H208 IonicContact OE2-CD2 3.89Å; H208-Q210 PolarHBondContact O-N 3.4Å; H208-Y244 PolarHBondContact ND1-O 2.81Å; H208-N246 PolarHBondContact CE1-ND2 3.26Å; H208-N246 PolarHBondContact CE1-OD1 2.83Å; H208-N246 PolarHBondContact ND1-ND2 2.99Å; H208-T248 PolarHBondContact NE2-OG1 3.01Å; H208-S249 PolarHBondContact CE1-OG 2.81Å
209	L	98.4	Very high	96.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	104.4	168.2	175.9	72.8	0	0	0	110.3	I193 M195 V212 V240 Y244 I245 S249	I193-L209 HydrophobicContact CD1-CD1 3.7Å; I193-L209 HydrophobicContact CG1-CD1 3.6Å; M195-L209 HydrophobicContact SD-CB 3.95Å; M195-L209 HydrophobicContact SD-CD1 3.65Å; M195-L209 HydrophobicContact SD-CG 4.46Å; L209-V212 HydrophobicContact CD1-CG2 3.51Å; L209-V212 HydrophobicContact CD2-CG2 3.72Å; L209-V212 HydrophobicContact CG-CG2 4.14Å; L209-V240 HydrophobicContact CD2-CG1 4.19Å; L209-Y244 WeakPolarHBondContact CB-O 3.26Å; L209-Y244 PolarHBondContact N-O 2.84Å; L209-I245 HydrophobicContact CD2-CG1 4.06Å; L209-S249 WeakPolarHBondContact O-CB 3.33Å; L209-S249 PolarHBondContact O-OG 3.45Å
210	Q	98.5	Very high	96.6	Very high	61 Å²	61	29.9 Å²	29.9	29%	0.285	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	-50.9	173.1	177.4	61	44.2	0	0	111.3	L28 T194 H208 I250	L28-Q210 HydrophobicContact CD1-CG 4.08Å; L28-Q210 HydrophobicContact CD2-CB 3.89Å; L28-Q210 HydrophobicContact CD2-CG 3.99Å; T194-Q210 HydrophobicContact CG2-CB 3.95Å; T194-Q210 HydrophobicContact CG2-CG 4.12Å; T194-Q210 WeakPolarHBondContact O-CB 3.37Å; T194-Q210 PolarHBondContact O-N 3.37Å; H208-Q210 PolarHBondContact O-N 3.4Å; Q210-I250 PolarHBondContact O-N 2.96Å
211	S	98.6	Very high	96.9	Very high	18 Å²	18	34.3 Å²	34.3	13%	0.126	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	148.8	179.2	68.3	0	0	0	0	114.8	I193 T194 I250	I193-S211 WeakPolarHBondContact CA-O 3.45Å; T194-S211 VanDerWaalsContact CB-OG 3.32Å; T194-S211 WeakPolarHBondContact CB-OG 3.32Å; T194-S211 PolarHBondContact N-O 2.75Å; T194-S211 PolarHBondContact O-N 3.35Å; T194-S211 VanDerWaalsContact O-N 3.07Å; T194-S211 PolarHBondContact OG1-OG 3.3Å; S211-I250 CarbonylContact C-O 3.57Å; S211-I250 WeakPolarHBondContact CA-O 3.32Å; S211-I250 WeakPolarHBondContact CB-O 3.47Å
212	V	98.7	Very high	97.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	127.2	163.3	178.7	0	0	0	0	108.6	M169 Q192 I193 L209 I236 V240 I250 I251 K252	M169-V212 HydrophobicContact CE-CG1 4.12Å; M169-V212 HydrophobicContact CE-CG2 4.43Å; M169-V212 HydrophobicContact SD-CG1 3.8Å; Q192-V212 WeakPolarHBondContact O-CA 3.24Å; I193-V212 HydrophobicContact CD1-CG2 4.25Å; I193-V212 HydrophobicContact CG1-CG2 4.13Å; L209-V212 HydrophobicContact CD1-CG2 3.51Å; L209-V212 HydrophobicContact CD2-CG2 3.72Å; L209-V212 HydrophobicContact CG-CG2 4.14Å; V212-I236 HydrophobicContact CB-CG2 4.42Å; V212-I236 HydrophobicContact CG1-CD1 3.92Å; V212-I236 HydrophobicContact CG1-CG1 4.19Å; V212-I236 HydrophobicContact CG1-CG2 4.2Å; V212-I236 HydrophobicContact CG2-CG2 4.3Å; V212-V240 HydrophobicContact CG2-CG2 4.46Å; V212-I250 PolarHBondContact N-O 3.09Å; V212-I251 WeakPolarHBondContact O-CA 3.43Å; V212-K252 PolarHBondContact O-N 2.96Å
213	I	98.7	Very high	97.7	Very high	51 Å²	51	35 Å²	35	26%	0.262	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	120.8	168	-56.9	173.2	0	0	0	107.5	C191 Q192 K252 P255	C191-I213 CarbonylContact C-O 3.52Å; C191-I213 WeakPolarHBondContact CA-O 3.22Å; Q192-I213 HydrophobicContact CB-CB 4.36Å; Q192-I213 PolarHBondContact N-O 3.11Å; Q192-I213 PolarHBondContact O-N 2.97Å; I213-K252 WeakPolarHBondContact CA-O 3.32Å; I213-K252 HydrophobicContact CG1-CB 4.47Å; I213-P255 HydrophobicContact CG2-CG 3.81Å
214	F	98.8	Very high	97.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	120.4	175.7	-160.1	-90.8	0	0	0	109.9	M169 Y173 K190 C191 C216 V231 V235 I236 K252 V253 N254	M169-F214 HydrophobicContact CB-CD2 4.21Å; M169-F214 HydrophobicContact CB-CE2 3.83Å; Y173-F214 HydrophobicContact CD1-CZ 4.5Å; Y173-F214 AromaticContact CD2-CE1 3.99Å; Y173-F214 HydrophobicContact CD2-CE1 3.99Å; Y173-F214 HydrophobicContact CD2-CZ 4.32Å; Y173-F214 HydrophobicContact CG-CE1 4.02Å; Y173-F214 AromaticContact CG-CZ 3.92Å; Y173-F214 HydrophobicContact CG-CZ 3.92Å; K190-F214 WeakPolarHBondContact O-CA 3.47Å; C191-F214 HydrophobicContact CB-CD2 3.69Å; C191-F214 HydrophobicContact CB-CE2 3.86Å; F214-C216 HydrophobicContact CD1-CB 4.06Å; F214-C216 HydrophobicContact CE1-CB 3.69Å; F214-V231 HydrophobicContact CB-CG1 4.11Å; F214-V231 HydrophobicContact CD1-CG1 3.48Å; F214-V231 VanDerWaalsContact CD1-CG1 3.48Å; F214-V231 HydrophobicContact CE1-CG1 4.1Å; F214-V231 HydrophobicContact CG-CG1 3.92Å; F214-V235 HydrophobicContact CE2-CG1 4.14Å; F214-V235 HydrophobicContact CZ-CG1 4.13Å; F214-I236 HydrophobicContact CB-CD1 4.06Å; F214-K252 PolarHBondContact N-O 2.83Å; F214-V253 CarbonylContact O-C 3.47Å; F214-V253 VanDerWaalsContact O-CA 3.24Å; F214-V253 WeakPolarHBondContact O-CA 3.3Å; F214-N254 PolarHBondContact O-N 3.49Å
215	S	98.7	Very high	98	Very high	17 Å²	17	46.1 Å²	46.1	12%	0.119	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	126.2	174.8	-63.6	0	0	0	0	109.1	S189 K190 N254	S189-S215 CarbonylContact C-O 3.56Å; S189-S215 VanDerWaalsContact CA-O 3.28Å; S189-S215 WeakPolarHBondContact CA-O 3.43Å; K190-S215 PolarHBondContact N-O 2.82Å; K190-S215 PolarHBondContact O-N 3.24Å; S215-N254 VanDerWaalsContact CA-OD1 3.31Å; S215-N254 WeakPolarHBondContact CA-OD1 3.19Å
216	C	98.6	Very high	98.1	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	138.4	-177.1	62.8	0	0	0	0	112.1	Y173 F214 H218 N254	Y173-C216 HydrophobicContact CD2-CB 4.31Å; Y173-C216 HydrophobicContact CE1-CB 4.21Å; Y173-C216 HydrophobicContact CE2-CB 3.67Å; F214-C216 HydrophobicContact CD1-CB 4.06Å; F214-C216 HydrophobicContact CE1-CB 3.69Å; C216-H218 PolarHBondContact O-CD2 2.92Å; C216-N254 PolarHBondContact N-OD1 2.87Å; C216-N254 PolarHBondContact O-ND2 3.27Å; C216-N254 VanDerWaalsContact O-ND2 3.07Å
217	Q	98.5	Very high	98.1	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	134.1	176.8	-168.1	-163.2	5.1	0	0	109.6	K106 Y173 R186 D188 Y259 T260 G262	K106-Q217 PolarHBondContact O-NE2 3.43Å; Y173-Q217 PolarHBondContact OH-O 2.8Å; R186-Q217 HydrophobicContact CB-CB 3.81Å; R186-Q217 VanDerWaalsContact CB-CD 3.41Å; R186-Q217 HydrophobicContact CB-CG 3.59Å; R186-Q217 WeakPolarHBondContact CB-O 3.33Å; R186-Q217 HydrophobicContact CG-CG 4.39Å; R186-Q217 PolarHBondContact N-O 3.32Å; D188-Q217 HydrophobicContact CB-CB 3.95Å; D188-Q217 WeakPolarHBondContact O-CB 3.38Å; D188-Q217 PolarHBondContact O-N 2.79Å; Q217-Y259 CarbonylContact C-O 3.58Å; Q217-Y259 WeakPolarHBondContact CA-O 3.06Å; Q217-Y259 WeakPolarHBondContact CG-O 3.42Å; Q217-T260 PolarHBondContact NE2-O 3.32Å; Q217-G262 VanDerWaalsContact NE2-N 3.11Å
218	H	98.3	Very high	98.2	Very high	5 Å²	5	45.1 Å²	45.1	2%	0.023	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	161.3	-175.8	62.1	91.6	0	0	0	113.1	W184 R186 C216 V222 V227 N254 Y259 T260	W184-H218 HydrophobicContact CE3-CB 3.5Å; W184-H218 HydrophobicContact CZ3-CB 3.85Å; W184-H218 CarbonylContact O-C 3.51Å; W184-H218 WeakPolarHBondContact O-CA 3.35Å; R186-H218 WeakPolarHBondContact CD-O 3.34Å; R186-H218 PolarHBondContact NE-O 3.46Å; C216-H218 PolarHBondContact O-CD2 2.92Å; H218-V222 HydrophobicContact CB-CG1 3.89Å; H218-V227 HydrophobicContact CB-CG2 4.27Å; H218-N254 PolarHBondContact CD2-ND2 3.36Å; H218-Y259 PolarHBondContact N-O 3.43Å; H218-Y259 PolarHBondContact NE2-N 2.8Å; H218-T260 WeakPolarHBondContact O-CA 3.38Å
219	S	97.8	Very high	98.3	Very high	14 Å²	14	51 Å²	51	10%	0.098	26%	0.258	C	S	.	.			trans	-58.2	143.1	167.2	-177.4	0	0	0	0	110.2	W184 E221 V222	W184-S219 PolarHBondContact O-N 2.88Å; S219-E221 PolarHBondContact O-N 2.56Å; S219-E221 VanDerWaalsContact O-N 3.16Å; S219-E221 PolarHBondContact OG-N 3.05Å; S219-V222 WeakPolarHBondContact O-CG1 3.45Å
220	P	97.1	Very high	98.3	Very high	89 Å²	89	54 Å²	54	58%	0.578	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-12.8	171.3	27.8	-35.8	0	0	0	113.6	T260	P220-T260 HydrophobicContact CB-CG2 4.03Å
221	E	96.8	Very high	98.3	Very high	178 Å²	178	51 Å²	51	83%	0.832	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-21.1	-176.4	-63.5	168.7	177.5	0	0	114.1	S219	S219-E221 PolarHBondContact O-N 2.56Å; S219-E221 VanDerWaalsContact O-N 3.16Å; S219-E221 PolarHBondContact OG-N 3.05Å
222	V	98.1	Very high	98.3	Very high	16 Å²	16	52.1 Å²	52.1	10%	0.097	26%	0.263	C	S	.	.	S	Bend	trans	-88.9	141.3	179.2	66.2	0	0	0	0	110.6	W184 H218 S219 Q226 V227	W184-V222 HydrophobicContact CB-CB 3.78Å; W184-V222 HydrophobicContact CB-CG1 3.66Å; W184-V222 HydrophobicContact CB-CG2 4.38Å; W184-V222 HydrophobicContact CD2-CB 4.36Å; W184-V222 HydrophobicContact CD2-CG1 3.88Å; W184-V222 HydrophobicContact CD2-CG2 4.21Å; W184-V222 HydrophobicContact CE3-CG1 4.08Å; W184-V222 HydrophobicContact CG-CB 3.8Å; W184-V222 HydrophobicContact CG-CG1 3.71Å; W184-V222 HydrophobicContact CG-CG2 3.86Å; H218-V222 HydrophobicContact CB-CG1 3.89Å; S219-V222 WeakPolarHBondContact O-CG1 3.45Å; V222-Q226 HydrophobicContact CG2-CB 3.7Å; V222-V227 HydrophobicContact CB-CG2 4.31Å; V222-V227 HydrophobicContact CG1-CG2 3.47Å; V222-V227 VanDerWaalsContact CG1-CG2 3.47Å; V222-V227 HydrophobicContact CG2-CG2 3.87Å
223	T	98.2	Very high	98.3	Very high	71 Å²	71	57.5 Å²	57.5	44%	0.436	29%	0.288	S	S	.	.			trans	-77.4	151.4	175.9	74	0	0	0	0	111.2	E225 Q226 V227	T223-E225 PolarHBondContact O-N 2.66Å; T223-Q226 PolarHBondContact O-N 3.18Å; T223-Q226 VanDerWaalsContact O-N 3.14Å; T223-Q226 VanDerWaalsContact OG1-CG 3.31Å; T223-Q226 WeakPolarHBondContact OG1-CG 3.31Å; T223-Q226 PolarHBondContact OG1-N 3.33Å; T223-Q226 PolarHBondContact OG1-OE1 3.42Å; T223-V227 WeakPolarHBondContact O-CG2 3.38Å; T223-V227 PolarHBondContact O-N 2.83Å
224	L	98.1	Very high	98.3	Very high	76 Å²	76	57.2 Å²	57.2	40%	0.398	29%	0.287	S	S	.	.	H	α-helix	trans	-60.6	-34.2	177	-69.9	178.3	0	0	0	112.6	V227 E228	L224-V227 PolarHBondContact O-N 3Å; L224-E228 WeakPolarHBondContact O-CB 3.3Å; L224-E228 PolarHBondContact O-N 3.16Å
225	E	98.1	Very high	98.3	Very high	158 Å²	158	57.2 Å²	57.2	74%	0.738	29%	0.287	S	S	*	.	H	α-helix	trans	-63.1	-41.9	175.4	-173.8	-175.3	175	0	0	111.8	T223 K229	T223-E225 PolarHBondContact O-N 2.66Å; E225-K229 WeakPolarHBondContact O-CB 3.42Å; E225-K229 PolarHBondContact O-N 3.13Å
226	Q	98.3	Very high	98.3	Very high	97 Å²	97	56.4 Å²	56.4	45%	0.453	28%	0.281	S	S	.	.	H	α-helix	trans	-65.5	-43.7	175.3	-74.5	172.4	-33.1	0	0	111.4	V222 T223 Q230	V222-Q226 HydrophobicContact CG2-CB 3.7Å; T223-Q226 PolarHBondContact O-N 3.18Å; T223-Q226 VanDerWaalsContact O-N 3.14Å; T223-Q226 VanDerWaalsContact OG1-CG 3.31Å; T223-Q226 WeakPolarHBondContact OG1-CG 3.31Å; T223-Q226 PolarHBondContact OG1-N 3.33Å; T223-Q226 PolarHBondContact OG1-OE1 3.42Å; Q226-Q230 VanDerWaalsContact O-CB 3.29Å; Q226-Q230 WeakPolarHBondContact O-CB 3.36Å; Q226-Q230 VanDerWaalsContact O-CG 3.3Å; Q226-Q230 WeakPolarHBondContact O-CG 3.45Å; Q226-Q230 PolarHBondContact O-N 2.9Å
227	V	98.7	Very high	98.2	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.006	30%	0.299	C	S	.	.	H	α-helix	trans	-58.5	-51.3	175.4	172.8	0	0	0	0	110.3	W184 H218 V222 T223 L224 Q230 V231 V253	W184-V227 HydrophobicContact CD2-CG2 4.38Å; W184-V227 HydrophobicContact CE3-CG2 4.13Å; W184-V227 HydrophobicContact CH2-CB 4.21Å; W184-V227 HydrophobicContact CH2-CG1 3.83Å; W184-V227 HydrophobicContact CH2-CG2 4.02Å; W184-V227 HydrophobicContact CZ2-CB 4.5Å; W184-V227 HydrophobicContact CZ2-CG2 4.23Å; W184-V227 HydrophobicContact CZ3-CG1 4.08Å; W184-V227 HydrophobicContact CZ3-CG2 3.96Å; H218-V227 HydrophobicContact CB-CG2 4.27Å; V222-V227 HydrophobicContact CB-CG2 4.31Å; V222-V227 HydrophobicContact CG1-CG2 3.47Å; V222-V227 VanDerWaalsContact CG1-CG2 3.47Å; V222-V227 HydrophobicContact CG2-CG2 3.87Å; T223-V227 WeakPolarHBondContact O-CG2 3.38Å; T223-V227 PolarHBondContact O-N 2.83Å; L224-V227 PolarHBondContact O-N 3Å; V227-Q230 PolarHBondContact O-N 2.66Å; V227-V231 HydrophobicContact CG1-CG2 4.19Å; V227-V231 VanDerWaalsContact O-CB 3.3Å; V227-V231 WeakPolarHBondContact O-CB 3.46Å; V227-V231 WeakPolarHBondContact O-CG2 3.29Å; V227-V231 PolarHBondContact O-N 2.95Å; V227-V253 HydrophobicContact CG1-CG1 4.03Å
228	E	98.5	Very high	98.2	Very high	78 Å²	78	64.5 Å²	64.5	36%	0.364	32%	0.32	S	S	.	.	H	α-helix	trans	-58.4	-53.1	-179.6	178	169	-156.7	0	0	111.4	L224 Q230 V231 I232 V253	L224-E228 WeakPolarHBondContact O-CB 3.3Å; L224-E228 PolarHBondContact O-N 3.16Å; E228-Q230 PolarHBondContact O-N 3.48Å; E228-V231 PolarHBondContact O-N 2.7Å; E228-I232 HydrophobicContact CG-CD1 3.7Å; E228-I232 WeakPolarHBondContact O-CB 3.41Å; E228-I232 VanDerWaalsContact O-CG1 3.22Å; E228-I232 WeakPolarHBondContact O-CG1 3.48Å; E228-I232 PolarHBondContact O-N 3.43Å; E228-V253 HydrophobicContact CB-CB 4.14Å; E228-V253 HydrophobicContact CG-CB 4.08Å; E228-V253 HydrophobicContact CG-CG2 4.36Å
229	K	98.6	Very high	98.2	Very high	140 Å²	140	65 Å²	65	61%	0.609	32%	0.324	S	S	*	.	H	α-helix	trans	-56.8	-51	179.7	-177.8	-179.3	177.1	-178.1	0	111.8	E225 I232 E233	E225-K229 WeakPolarHBondContact O-CB 3.42Å; E225-K229 PolarHBondContact O-N 3.13Å; K229-I232 PolarHBondContact O-N 3.28Å; K229-E233 VanDerWaalsContact O-CB 3.3Å; K229-E233 WeakPolarHBondContact O-CB 3.3Å; K229-E233 PolarHBondContact O-N 2.65Å
230	Q	98.7	Very high	98.2	Very high	63 Å²	63	64.5 Å²	64.5	29%	0.294	32%	0.32	S	S	.	.	H	α-helix	trans	-70.4	-36.3	-174.8	-71.5	-179.1	-19.6	0	0	112.5	L182 W184 Q226 V227 E228 L234	L182-Q230 HydrophobicContact CD2-CB 3.95Å; W184-Q230 HydrophobicContact CZ2-CB 4.27Å; Q226-Q230 VanDerWaalsContact O-CB 3.29Å; Q226-Q230 WeakPolarHBondContact O-CB 3.36Å; Q226-Q230 VanDerWaalsContact O-CG 3.3Å; Q226-Q230 WeakPolarHBondContact O-CG 3.45Å; Q226-Q230 PolarHBondContact O-N 2.9Å; V227-Q230 PolarHBondContact O-N 2.66Å; E228-Q230 PolarHBondContact O-N 3.48Å; Q230-L234 HydrophobicContact CB-CD1 4.36Å; Q230-L234 WeakPolarHBondContact O-CA 3.37Å; Q230-L234 WeakPolarHBondContact O-CB 3.32Å; Q230-L234 WeakPolarHBondContact O-CG 3.33Å; Q230-L234 PolarHBondContact O-N 2.83Å
231	V	98.8	Very high	98.3	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-68.2	-41.3	175.3	170.5	0	0	0	0	110.8	W184 F214 V227 E228 V235 I236 V253	W184-V231 HydrophobicContact CH2-CG2 3.87Å; F214-V231 HydrophobicContact CB-CG1 4.11Å; F214-V231 HydrophobicContact CD1-CG1 3.48Å; F214-V231 VanDerWaalsContact CD1-CG1 3.48Å; F214-V231 HydrophobicContact CE1-CG1 4.1Å; F214-V231 HydrophobicContact CG-CG1 3.92Å; V227-V231 HydrophobicContact CG1-CG2 4.19Å; V227-V231 VanDerWaalsContact O-CB 3.3Å; V227-V231 WeakPolarHBondContact O-CB 3.46Å; V227-V231 WeakPolarHBondContact O-CG2 3.29Å; V227-V231 PolarHBondContact O-N 2.95Å; E228-V231 PolarHBondContact O-N 2.7Å; V231-V235 HydrophobicContact CG1-CB 4.21Å; V231-V235 HydrophobicContact CG1-CG2 4.49Å; V231-V235 WeakPolarHBondContact O-CA 3.44Å; V231-V235 WeakPolarHBondContact O-CB 3.43Å; V231-V235 PolarHBondContact O-N 3.37Å; V231-I236 HydrophobicContact CG1-CD1 4.11Å; V231-I236 HydrophobicContact CG1-CG1 4.28Å; V231-I236 PolarHBondContact O-N 3Å; V231-V253 HydrophobicContact CB-CG1 3.84Å; V231-V253 HydrophobicContact CB-CG2 3.95Å; V231-V253 HydrophobicContact CG1-CB 4.46Å; V231-V253 HydrophobicContact CG1-CG1 3.9Å; V231-V253 HydrophobicContact CG1-CG2 3.67Å; V231-V253 HydrophobicContact CG2-CG1 4.07Å
232	I	98.5	Very high	98.3	Very high	41 Å²	41	59.6 Å²	59.6	21%	0.21	29%	0.293	C	S	.	.	I	π-helix	trans	-60.9	-53	175.8	-68.8	171.5	0	0	0	110.3	E228 K229 I236 R237 I251 V253	E228-I232 HydrophobicContact CG-CD1 3.7Å; E228-I232 WeakPolarHBondContact O-CB 3.41Å; E228-I232 VanDerWaalsContact O-CG1 3.22Å; E228-I232 WeakPolarHBondContact O-CG1 3.48Å; E228-I232 PolarHBondContact O-N 3.43Å; K229-I232 PolarHBondContact O-N 3.28Å; I232-I236 HydrophobicContact CG1-CD1 4.37Å; I232-I236 PolarHBondContact O-N 3.39Å; I232-R237 HydrophobicContact CG2-CG 4.18Å; I232-R237 WeakPolarHBondContact O-CB 3.38Å; I232-R237 VanDerWaalsContact O-CG 3.29Å; I232-R237 WeakPolarHBondContact O-CG 3.41Å; I232-R237 PolarHBondContact O-N 3.25Å; I232-I251 HydrophobicContact CD1-CG2 4.15Å; I232-I251 HydrophobicContact CG1-CG2 3.85Å; I232-V253 HydrophobicContact CD1-CG2 4.37Å; I232-V253 HydrophobicContact CG1-CG2 3.78Å
233	E	98.5	Very high	98.2	Very high	112 Å²	112	66.5 Å²	66.5	52%	0.523	32%	0.322	S	S	.	.	I	π-helix	trans	-68.8	-45.4	-174.5	-175.3	-178.9	165.9	0	0	112.3	K229 P238	K229-E233 VanDerWaalsContact O-CB 3.3Å; K229-E233 WeakPolarHBondContact O-CB 3.3Å; K229-E233 PolarHBondContact O-N 2.65Å; E233-P238 VanDerWaalsContact O-CD 3.28Å; E233-P238 WeakPolarHBondContact O-CD 3.41Å; E233-P238 WeakPolarHBondContact O-CG 3.34Å
234	L	98.8	Very high	98.2	Very high	46 Å²	46	64.3 Å²	64.3	24%	0.241	31%	0.306	C	S	.	.	I	π-helix	trans	-99.9	-18.4	-168.8	-54.2	175.7	0	0	0	113.3	R172 L176 T181 L182 Q230	R172-L234 VanDerWaalsContact CZ-O 3.28Å; R172-L234 PolarHBondContact NE-O 2.72Å; R172-L234 PolarHBondContact NH2-O 2.76Å; R172-L234 VanDerWaalsContact NH2-O 3.08Å; L176-L234 HydrophobicContact CD1-CB 3.74Å; L176-L234 WeakPolarHBondContact CD1-O 3.48Å; T181-L234 HydrophobicContact CG2-CD1 4.07Å; L182-L234 HydrophobicContact CD2-CD1 3.98Å; Q230-L234 HydrophobicContact CB-CD1 4.36Å; Q230-L234 WeakPolarHBondContact O-CA 3.37Å; Q230-L234 WeakPolarHBondContact O-CB 3.32Å; Q230-L234 WeakPolarHBondContact O-CG 3.33Å; Q230-L234 PolarHBondContact O-N 2.83Å
235	V	98.8	Very high	98.2	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	29%	0.291	C	S	.	.	I	π-helix	trans	-113.1	-55.5	-179.2	-177.6	0	0	0	0	111.9	M169 Y173 L176 F214 V231 V239	M169-V235 HydrophobicContact CB-CG1 4.09Å; M169-V235 HydrophobicContact CG-CG1 4.41Å; M169-V235 VanDerWaalsContact O-CG1 3.3Å; M169-V235 WeakPolarHBondContact O-CG1 3.25Å; Y173-V235 HydrophobicContact CD2-CG2 4.4Å; L176-V235 HydrophobicContact CD1-CG2 3.83Å; F214-V235 HydrophobicContact CE2-CG1 4.14Å; F214-V235 HydrophobicContact CZ-CG1 4.13Å; V231-V235 HydrophobicContact CG1-CB 4.21Å; V231-V235 HydrophobicContact CG1-CG2 4.49Å; V231-V235 WeakPolarHBondContact O-CA 3.44Å; V231-V235 WeakPolarHBondContact O-CB 3.43Å; V231-V235 PolarHBondContact O-N 3.37Å; V235-V239 VanDerWaalsContact O-CG2 3.23Å; V235-V239 WeakPolarHBondContact O-CG2 3.46Å
236	I	98.5	Very high	98	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.277	C	S	.	.	I	π-helix	trans	-76.5	-55.8	-169.7	-62	172	0	0	0	111.2	M169 V212 F214 V231 I232 V239 V240 I251 V253	M169-I236 HydrophobicContact SD-CB 4.43Å; M169-I236 HydrophobicContact SD-CG1 4.02Å; M169-I236 HydrophobicContact SD-CG2 4.38Å; V212-I236 HydrophobicContact CB-CG2 4.42Å; V212-I236 HydrophobicContact CG1-CD1 3.92Å; V212-I236 HydrophobicContact CG1-CG1 4.19Å; V212-I236 HydrophobicContact CG1-CG2 4.2Å; V212-I236 HydrophobicContact CG2-CG2 4.3Å; F214-I236 HydrophobicContact CB-CD1 4.06Å; V231-I236 HydrophobicContact CG1-CD1 4.11Å; V231-I236 HydrophobicContact CG1-CG1 4.28Å; V231-I236 PolarHBondContact O-N 3Å; I232-I236 HydrophobicContact CG1-CD1 4.37Å; I232-I236 PolarHBondContact O-N 3.39Å; I236-V239 PolarHBondContact O-N 2.85Å; I236-V239 VanDerWaalsContact O-N 3.09Å; I236-V240 HydrophobicContact CG2-CG2 4.31Å; I236-V240 PolarHBondContact O-N 2.86Å; I236-I251 HydrophobicContact CD1-CG2 3.71Å; I236-I251 HydrophobicContact CG2-CD1 4.45Å; I236-I251 HydrophobicContact CG2-CG2 4.43Å; I236-V253 HydrophobicContact CD1-CG2 4.02Å
237	R	97.5	Very high	97.8	Very high	102 Å²	102	60.5 Å²	60.5	39%	0.385	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-41.2	-177.4	-74.3	-72.5	-169.4	169	0.4	113.8	I232 V239 E242	I232-R237 HydrophobicContact CG2-CG 4.18Å; I232-R237 WeakPolarHBondContact O-CB 3.38Å; I232-R237 VanDerWaalsContact O-CG 3.29Å; I232-R237 WeakPolarHBondContact O-CG 3.41Å; I232-R237 PolarHBondContact O-N 3.25Å; R237-V239 VanDerWaalsContact C-N 3.28Å; R237-V239 PolarHBondContact O-N 3.26Å; R237-E242 IonicContact NH1-OE1 2.95Å; R237-E242 PolarHBondContact NH1-OE1 2.79Å; R237-E242 IonicContact NH1-OE2 2.82Å; R237-E242 PolarHBondContact NH1-OE2 2.85Å
238	P	98.2	Very high	97.6	Very high	67 Å²	67	64.6 Å²	64.6	44%	0.435	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-14.6	179.7	-20.6	36.4	0	0	0	114.2	R172 E233	R172-P238 VanDerWaalsContact CZ-CB 3.43Å; E233-P238 VanDerWaalsContact O-CD 3.28Å; E233-P238 WeakPolarHBondContact O-CD 3.41Å; E233-P238 WeakPolarHBondContact O-CG 3.34Å
239	V	98.4	Very high	97.6	Very high	17 Å²	17	61.8 Å²	61.8	10%	0.103	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-41.1	-178.1	171.8	0	0	0	0	111.8	L165 R168 M169 R172 V235 I236 R237 P241	L165-V239 HydrophobicContact CD2-CG1 3.92Å; L165-V239 VanDerWaalsContact CD2-O 3.29Å; L165-V239 WeakPolarHBondContact CD2-O 3.39Å; R168-V239 HydrophobicContact CB-CG1 3.5Å; R168-V239 HydrophobicContact CB-CG2 4.36Å; M169-V239 HydrophobicContact CG-CB 3.86Å; M169-V239 HydrophobicContact CG-CG1 3.69Å; M169-V239 HydrophobicContact CG-CG2 4.21Å; R172-V239 HydrophobicContact CB-CG2 4.18Å; R172-V239 VanDerWaalsContact CD-CG2 3.44Å; R172-V239 HydrophobicContact CG-CG2 4.48Å; V235-V239 VanDerWaalsContact O-CG2 3.23Å; V235-V239 WeakPolarHBondContact O-CG2 3.46Å; I236-V239 PolarHBondContact O-N 2.85Å; I236-V239 VanDerWaalsContact O-N 3.09Å; R237-V239 VanDerWaalsContact C-N 3.28Å; R237-V239 PolarHBondContact O-N 3.26Å; V239-P241 WeakPolarHBondContact O-CD 3.44Å
240	V	98.2	Very high	97.6	Very high	3 Å²	3	59 Å²	59	2%	0.018	31%	0.305	C	S	.	.	S	Bend	trans	-83.4	121.3	-179.3	-176.7	0	0	0	0	109.6	L165 M169 L209 V212 I236 E242 I245	L165-V240 HydrophobicContact CD2-CG2 4.37Å; M169-V240 HydrophobicContact CE-CG2 4.32Å; L209-V240 HydrophobicContact CD2-CG1 4.19Å; V212-V240 HydrophobicContact CG2-CG2 4.46Å; I236-V240 HydrophobicContact CG2-CG2 4.31Å; I236-V240 PolarHBondContact O-N 2.86Å; V240-E242 PolarHBondContact O-N 3.18Å; V240-I245 HydrophobicContact CB-CD1 3.95Å; V240-I245 HydrophobicContact CB-CG1 4.36Å; V240-I245 HydrophobicContact CG1-CD1 3.9Å; V240-I245 HydrophobicContact CG1-CG1 3.73Å
241	P	97.7	Very high	97.6	Very high	47 Å²	47	57.6 Å²	57.6	31%	0.305	30%	0.298	S	S	.	.			trans	-57.2	129.4	176.9	-25.7	34	0	0	0	111.9	V239 K243 Y244	V239-P241 WeakPolarHBondContact O-CD 3.44Å; P241-K243 HydrophobicContact CB-CG 4.13Å; P241-K243 PolarHBondContact O-N 2.84Å; P241-Y244 HydrophobicContact CB-CD2 3.82Å; P241-Y244 HydrophobicContact CB-CE2 4.06Å; P241-Y244 HydrophobicContact CG-CD2 4Å; P241-Y244 HydrophobicContact CG-CE2 4Å; P241-Y244 PolarHBondContact O-N 2.86Å
242	E	96.8	Very high	97.5	Very high	116 Å²	116	62.6 Å²	62.6	54%	0.542	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-57.6	-28.9	-173.7	-168.4	62.8	-156.9	0	0	112.7	R237 V240 Y244 I245	R237-E242 IonicContact NH1-OE1 2.95Å; R237-E242 PolarHBondContact NH1-OE1 2.79Å; R237-E242 IonicContact NH1-OE2 2.82Å; R237-E242 PolarHBondContact NH1-OE2 2.85Å; V240-E242 PolarHBondContact O-N 3.18Å; E242-Y244 PolarHBondContact O-N 2.74Å; E242-I245 PolarHBondContact O-N 2.84Å
243	K	97.4	Very high	97.5	Very high	162 Å²	162	61.1 Å²	61.1	70%	0.704	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-57.2	-19.8	175.4	69	176.8	-178.1	174.4	0	114.5	P241	P241-K243 HydrophobicContact CB-CG 4.13Å; P241-K243 PolarHBondContact O-N 2.84Å
244	Y	98	Very high	97.5	Very high	25 Å²	25	56.3 Å²	56.3	10%	0.098	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-95.9	-17.3	177.8	-62.4	-53.6	0	0	0	113.3	L161 M195 P206 H208 L209 P241 E242	L161-Y244 HydrophobicContact CD2-CD2 4.26Å; L161-Y244 HydrophobicContact CD2-CE2 3.6Å; M195-Y244 HydrophobicContact CE-CD1 3.97Å; M195-Y244 HydrophobicContact CE-CD2 4.25Å; M195-Y244 HydrophobicContact CE-CE1 4.49Å; M195-Y244 HydrophobicContact CE-CG 3.84Å; P206-Y244 HydrophobicContact CB-CE1 4.06Å; P206-Y244 HydrophobicContact CG-CE1 4.3Å; P206-Y244 WeakPolarHBondContact CG-OH 3.44Å; P206-Y244 WeakPolarHBondContact O-CE1 3.43Å; H208-Y244 PolarHBondContact ND1-O 2.81Å; L209-Y244 WeakPolarHBondContact CB-O 3.26Å; L209-Y244 PolarHBondContact N-O 2.84Å; P241-Y244 HydrophobicContact CB-CD2 3.82Å; P241-Y244 HydrophobicContact CB-CE2 4.06Å; P241-Y244 HydrophobicContact CG-CD2 4Å; P241-Y244 HydrophobicContact CG-CE2 4Å; P241-Y244 PolarHBondContact O-N 2.86Å; E242-Y244 PolarHBondContact O-N 2.74Å
245	I	97	Very high	97.5	Very high	16 Å²	16	57.5 Å²	57.5	8%	0.082	30%	0.301	C	S	.	.			trans	-94.3	134.8	-175	-49.4	179.9	0	0	0	109.4	L209 V240 E242	L209-I245 HydrophobicContact CD2-CG1 4.06Å; V240-I245 HydrophobicContact CB-CD1 3.95Å; V240-I245 HydrophobicContact CB-CG1 4.36Å; V240-I245 HydrophobicContact CG1-CD1 3.9Å; V240-I245 HydrophobicContact CG1-CG1 3.73Å; E242-I245 PolarHBondContact O-N 2.84Å
246	N	93.8	Very high	97.2	Very high	81 Å²	81	64.8 Å²	64.8	43%	0.433	34%	0.341	S	S	.	.			trans	-144.4	-171	171.2	70.4	24.1	0	0	0	110.7	H208 T248 S249	H208-N246 PolarHBondContact CE1-ND2 3.26Å; H208-N246 PolarHBondContact CE1-OD1 2.83Å; H208-N246 PolarHBondContact ND1-ND2 2.99Å; N246-T248 PolarHBondContact O-N 2.94Å; N246-T248 WeakPolarHBondContact OD1-CA 3.49Å; N246-T248 PolarHBondContact OD1-N 2.99Å; N246-T248 PolarHBondContact OD1-OG1 3.18Å; N246-S249 PolarHBondContact N-OG 2.76Å; N246-S249 WeakPolarHBondContact O-CB 3.33Å; N246-S249 PolarHBondContact O-N 3.45Å; N246-S249 PolarHBondContact OD1-N 2.84Å
247	V	95	Very high	97.1	Very high	153 Å²	153	65.9 Å²	65.9	93%	0.927	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-16.5	-178.5	-61.2	0	0	0	0	114.7
248	T	94.7	Very high	97.1	Very high	88 Å²	88	64.5 Å²	64.5	54%	0.54	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-9.5	176.7	60.8	0	0	0	0	113.4	H208 N246 I250	H208-T248 PolarHBondContact NE2-OG1 3.01Å; N246-T248 PolarHBondContact O-N 2.94Å; N246-T248 WeakPolarHBondContact OD1-CA 3.49Å; N246-T248 PolarHBondContact OD1-N 2.99Å; N246-T248 PolarHBondContact OD1-OG1 3.18Å; T248-I250 PolarHBondContact O-N 3.37Å
249	S	97.8	Very high	97	Very high	19 Å²	19	63.2 Å²	63.2	13%	0.133	35%	0.349	C	S	.	.			trans	-62	127.1	177	-68.4	0	0	0	0	111.5	H208 L209 N246	H208-S249 PolarHBondContact CE1-OG 2.81Å; L209-S249 WeakPolarHBondContact O-CB 3.33Å; L209-S249 PolarHBondContact O-OG 3.45Å; N246-S249 PolarHBondContact N-OG 2.76Å; N246-S249 WeakPolarHBondContact O-CB 3.33Å; N246-S249 PolarHBondContact O-N 3.45Å; N246-S249 PolarHBondContact OD1-N 2.84Å
250	I	98.3	Very high	96.9	Very high	82 Å²	82	63.9 Å²	63.9	42%	0.421	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	108.5	178.5	-57.9	170.3	0	0	0	109.3	Q210 S211 V212 T248 K252	Q210-I250 PolarHBondContact O-N 2.96Å; S211-I250 CarbonylContact C-O 3.57Å; S211-I250 WeakPolarHBondContact CA-O 3.32Å; S211-I250 WeakPolarHBondContact CB-O 3.47Å; V212-I250 PolarHBondContact N-O 3.09Å; T248-I250 PolarHBondContact O-N 3.37Å; I250-K252 HydrophobicContact CG2-CG 4.15Å
251	I	98.3	Very high	96.7	Very high	32 Å²	32	68.6 Å²	68.6	16%	0.164	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	123.9	176	-58.5	175	0	0	0	108.6	V212 I232 I236	V212-I251 WeakPolarHBondContact O-CA 3.43Å; I232-I251 HydrophobicContact CD1-CG2 4.15Å; I232-I251 HydrophobicContact CG1-CG2 3.85Å; I236-I251 HydrophobicContact CD1-CG2 3.71Å; I236-I251 HydrophobicContact CG2-CD1 4.45Å; I236-I251 HydrophobicContact CG2-CG2 4.43Å
252	K	98.2	Very high	96.6	Very high	105 Å²	105	66.3 Å²	66.3	46%	0.457	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	131.1	178.7	-67.1	-65	-177.7	-175.9	0	110.6	V212 I213 F214 I250 P255	V212-K252 PolarHBondContact O-N 2.96Å; I213-K252 WeakPolarHBondContact CA-O 3.32Å; I213-K252 HydrophobicContact CG1-CB 4.47Å; F214-K252 PolarHBondContact N-O 2.83Å; I250-K252 HydrophobicContact CG2-CG 4.15Å; K252-P255 HydrophobicContact CB-CB 4.49Å
253	V	98.7	Very high	96.6	Very high	11 Å²	11	60.9 Å²	60.9	7%	0.067	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	129.5	171.8	-178.8	0	0	0	0	109.1	F214 V227 E228 V231 I232 I236	F214-V253 CarbonylContact O-C 3.47Å; F214-V253 VanDerWaalsContact O-CA 3.24Å; F214-V253 WeakPolarHBondContact O-CA 3.3Å; V227-V253 HydrophobicContact CG1-CG1 4.03Å; E228-V253 HydrophobicContact CB-CB 4.14Å; E228-V253 HydrophobicContact CG-CB 4.08Å; E228-V253 HydrophobicContact CG-CG2 4.36Å; V231-V253 HydrophobicContact CB-CG1 3.84Å; V231-V253 HydrophobicContact CB-CG2 3.95Å; V231-V253 HydrophobicContact CG1-CB 4.46Å; V231-V253 HydrophobicContact CG1-CG1 3.9Å; V231-V253 HydrophobicContact CG1-CG2 3.67Å; V231-V253 HydrophobicContact CG2-CG1 4.07Å; I232-V253 HydrophobicContact CD1-CG2 4.37Å; I232-V253 HydrophobicContact CG1-CG2 3.78Å; I236-V253 HydrophobicContact CD1-CG2 4.02Å
254	N	98.5	Very high	96.6	Very high	11 Å²	11	53.1 Å²	53.1	6%	0.059	30%	0.301	C	S	.	.	S	Bend	trans	46.2	55.9	-178.8	-72.7	24.7	0	0	0	113.2	F214 S215 C216 H218 D256 G257	F214-N254 PolarHBondContact O-N 3.49Å; S215-N254 VanDerWaalsContact CA-OD1 3.31Å; S215-N254 WeakPolarHBondContact CA-OD1 3.19Å; C216-N254 PolarHBondContact N-OD1 2.87Å; C216-N254 PolarHBondContact O-ND2 3.27Å; C216-N254 VanDerWaalsContact O-ND2 3.07Å; H218-N254 PolarHBondContact CD2-ND2 3.36Å; N254-D256 PolarHBondContact O-N 3Å; N254-D256 VanDerWaalsContact O-N 3.13Å; N254-G257 WeakPolarHBondContact CB-O 3.27Å; N254-G257 PolarHBondContact O-N 3.16Å
255	P	97	Very high	96.6	Very high	70 Å²	70	56.8 Å²	56.8	46%	0.455	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-24.3	-177.1	27.9	-36.6	0	0	0	113.4	I213 K252 G257	I213-P255 HydrophobicContact CG2-CG 3.81Å; K252-P255 HydrophobicContact CB-CB 4.49Å; P255-G257 PolarHBondContact O-N 3.32Å
256	D	92.9	Very high	96.5	Very high	154 Å²	154	58.6 Å²	58.6	82%	0.824	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	0.4	176.2	-60.3	-31	0	0	0	113.2	N254	N254-D256 PolarHBondContact O-N 3Å; N254-D256 VanDerWaalsContact O-N 3.13Å
257	G	97	Very high	96.5	Very high	22 Å²	22	56.2 Å²	56.2	23%	0.227	33%	0.327	C	S	.	.	S	Bend	trans	88.1	-139.2	-177.7	0	0	0	0	0	113.2	N254 P255 Y259	N254-G257 WeakPolarHBondContact CB-O 3.27Å; N254-G257 PolarHBondContact O-N 3.16Å; P255-G257 PolarHBondContact O-N 3.32Å; G257-Y259 PolarHBondContact O-N 3.23Å
258	A	96.7	Very high	96.6	Very high	74 Å²	74	52.5 Å²	52.5	61%	0.612	31%	0.305	S	S	*	.			trans	-68.4	126.5	-173.3	0	0	0	0	0	112.4
259	Y	97.5	Very high	96.8	Very high	40 Å²	40	48.3 Å²	48.3	16%	0.157	28%	0.279	C	S	.	.			trans	-116.5	63.3	175.7	-166.1	179.6	0	0	0	109.8	D188 K190 Q217 H218 G257 H261	D188-Y259 VanDerWaalsContact CG-OH 3.23Å; D188-Y259 PolarHBondContact OD2-OH 2.92Å; K190-Y259 WeakPolarHBondContact CE-OH 3.27Å; Q217-Y259 CarbonylContact C-O 3.58Å; Q217-Y259 WeakPolarHBondContact CA-O 3.06Å; Q217-Y259 WeakPolarHBondContact CG-O 3.42Å; H218-Y259 PolarHBondContact N-O 3.43Å; H218-Y259 PolarHBondContact NE2-N 2.8Å; G257-Y259 PolarHBondContact O-N 3.23Å; Y259-H261 VanDerWaalsContact CD2-O 3.26Å; Y259-H261 WeakPolarHBondContact CD2-O 3.42Å; Y259-H261 WeakPolarHBondContact CE2-O 3.5Å
260	T	96.4	Very high	96.8	Very high	30 Å²	30	50.1 Å²	50.1	18%	0.184	29%	0.286	C	S	.	.			trans	-81.7	-29	-177.3	51.2	0	0	0	0	112.9	R186 Q217 H218 P220	R186-T260 PolarHBondContact NH1-O 2.93Å; Q217-T260 PolarHBondContact NE2-O 3.32Å; H218-T260 WeakPolarHBondContact O-CA 3.38Å; P220-T260 HydrophobicContact CB-CG2 4.03Å
261	H	93.8	Very high	96.9	Very high	102 Å²	102	46.7 Å²	46.7	47%	0.472	27%	0.269	S	S	.	.	S	Bend	trans	-106.2	116.8	-179.9	-62.1	98.2	0	0	0	110.2	Y259 Y265 A266	Y259-H261 VanDerWaalsContact CD2-O 3.26Å; Y259-H261 WeakPolarHBondContact CD2-O 3.42Å; Y259-H261 WeakPolarHBondContact CE2-O 3.5Å; H261-Y265 HydrophobicContact CB-CD1 3.78Å; H261-Y265 HydrophobicContact CB-CE1 3.82Å; H261-Y265 AromaticContact CD2-CD1 3.85Å; H261-Y265 AromaticContact CD2-CE1 3.28Å; H261-Y265 WeakPolarHBondContact CD2-CE1 3.28Å; H261-Y265 AromaticContact CD2-CZ 3.95Å; H261-Y265 AromaticContact CG-CE1 3.72Å; H261-A266 WeakPolarHBondContact O-CB 3.48Å
262	G	95.5	Very high	96.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	27%	0.268	C	S	.	.			trans	-139.2	-173	-177.5	0	0	0	0	0	112.6	D188 Q217	D188-G262 WeakPolarHBondContact OD2-CA 3.4Å; Q217-G262 VanDerWaalsContact NE2-N 3.11Å
263	G	97.1	Very high	96.9	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	63.4	-152.6	178.1	0	0	0	0	0	113.4	D188 Y265 A266 G267	D188-G263 PolarHBondContact OD2-N 3.38Å; G263-Y265 PolarHBondContact O-N 3.02Å; G263-Y265 VanDerWaalsContact O-N 3.07Å; G263-A266 PolarHBondContact O-N 3.04Å; G263-A266 VanDerWaalsContact O-N 3.07Å; G263-G267 PolarHBondContact O-N 2.99Å
264	P	97.5	Very high	96.9	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-59	-21.1	-178.3	-27.1	36.1	0	0	0	115	A39 L42 A69 K70 T71 F108 G267	A39-P264 HydrophobicContact CB-CG 4.37Å; L42-P264 HydrophobicContact CD2-CG 3.57Å; A69-P264 HydrophobicContact CB-CB 4.09Å; A69-P264 HydrophobicContact CB-CG 3.93Å; K70-P264 CarbonylContact C-O 3.59Å; K70-P264 WeakPolarHBondContact CD-O 3.32Å; K70-P264 PolarHBondContact NZ-O 3.2Å; T71-P264 PolarHBondContact N-O 3.07Å; T71-P264 VanDerWaalsContact N-O 3.16Å; F108-P264 HydrophobicContact CB-CG 4.43Å; F108-P264 HydrophobicContact CD1-CB 4.46Å; F108-P264 HydrophobicContact CD1-CG 3.93Å; F108-P264 HydrophobicContact CD2-CB 3.69Å; F108-P264 HydrophobicContact CD2-CG 4.06Å; F108-P264 HydrophobicContact CE1-CG 4.13Å; F108-P264 HydrophobicContact CE2-CB 3.82Å; F108-P264 HydrophobicContact CE2-CG 4.25Å; F108-P264 HydrophobicContact CG-CB 4.03Å; F108-P264 HydrophobicContact CG-CG 3.89Å; F108-P264 HydrophobicContact CZ-CB 4.26Å; F108-P264 HydrophobicContact CZ-CG 4.28Å; P264-G267 CarbonylContact C-O 3.53Å; P264-G267 VanDerWaalsContact C-O 3.31Å; P264-G267 VanDerWaalsContact CA-O 3.24Å; P264-G267 WeakPolarHBondContact CA-O 3.34Å
265	Y	96.3	Very high	96.9	Very high	102 Å²	102	50.7 Å²	50.7	40%	0.4	29%	0.285	S	S	.	.	H	α-helix	trans	-65.7	-50.8	173.5	-177.7	-94	0	0	0	111.3	K70 T71 G107 H261 G263	K70-Y265 PolarHBondContact NZ-O 2.88Å; T71-Y265 HydrophobicContact CG2-CD2 4.03Å; T71-Y265 HydrophobicContact CG2-CE2 4.43Å; G107-Y265 WeakPolarHBondContact O-CB 3.37Å; H261-Y265 HydrophobicContact CB-CD1 3.78Å; H261-Y265 HydrophobicContact CB-CE1 3.82Å; H261-Y265 AromaticContact CD2-CD1 3.85Å; H261-Y265 AromaticContact CD2-CE1 3.28Å; H261-Y265 WeakPolarHBondContact CD2-CE1 3.28Å; H261-Y265 AromaticContact CD2-CZ 3.95Å; H261-Y265 AromaticContact CG-CE1 3.72Å; G263-Y265 PolarHBondContact O-N 3.02Å; G263-Y265 VanDerWaalsContact O-N 3.07Å
266	A	94.8	Very high	97	Very high	54 Å²	54	50.9 Å²	50.9	45%	0.446	28%	0.282	S	S	.	.	H	α-helix	trans	-76.7	-42.3	-176.4	0	0	0	0	0	112.5	H261 G263	H261-A266 WeakPolarHBondContact O-CB 3.48Å; G263-A266 PolarHBondContact O-N 3.04Å; G263-A266 VanDerWaalsContact O-N 3.07Å
267	G	94.1	Very high	97.3	Very high	30 Å²	30	43.8 Å²	43.8	31%	0.309	24%	0.244	S	C	.	.	S	Bend	trans	-128	152.7	-177.6	0	0	0	0	0	112.2	G263 P264	G263-G267 PolarHBondContact O-N 2.99Å; P264-G267 CarbonylContact C-O 3.53Å; P264-G267 VanDerWaalsContact C-O 3.31Å; P264-G267 VanDerWaalsContact CA-O 3.24Å; P264-G267 WeakPolarHBondContact CA-O 3.34Å
268	V	97.8	Very high	97.4	Very high	76 Å²	76	42.9 Å²	42.9	46%	0.461	23%	0.234	S	C	.	.			trans	-72.6	137.8	163.6	63.7	0	0	0	0	108.3	V68 A69 K70 L270	V68-V268 HydrophobicContact CG1-CG2 4.12Å; A69-V268 WeakPolarHBondContact O-CA 3.44Å; K70-V268 HydrophobicContact CD-CB 4.02Å; V268-L270 HydrophobicContact CB-CD1 4.5Å; V268-L270 HydrophobicContact CG1-CD1 3.99Å; V268-L270 HydrophobicContact CG2-CD1 3.86Å
269	G	98.6	Very high	97.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	139.7	171.1	0	0	0	0	0	110.5	A39 D40 C43 V68 A69	A39-G269 VanDerWaalsContact C-CA 3.43Å; A39-G269 WeakPolarHBondContact O-CA 3.37Å; D40-G269 VanDerWaalsContact OD1-CA 3.31Å; D40-G269 WeakPolarHBondContact OD1-CA 3.37Å; C43-G269 PolarHBondContact SG-O 3.14Å; C43-G269 VanDerWaalsContact SG-O 3.32Å; V68-G269 CarbonylContact C-O 3.59Å; V68-G269 WeakPolarHBondContact CA-O 3.45Å; A69-G269 PolarHBondContact N-O 2.93Å; A69-G269 PolarHBondContact O-N 3.28Å
270	L	98.8	Very high	97.5	Very high	56 Å²	56	37.8 Å²	37.8	29%	0.293	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	147.3	168	-55.7	87.1	0	0	0	110.4	D40 T67 V68 V268 R273	D40-L270 PolarHBondContact OD1-N 2.8Å; T67-L270 WeakPolarHBondContact O-CA 3.47Å; V68-L270 HydrophobicContact CG2-CD2 4.23Å; V68-L270 HydrophobicContact CG2-CG 4.21Å; V268-L270 HydrophobicContact CB-CD1 4.5Å; V268-L270 HydrophobicContact CG1-CD1 3.99Å; V268-L270 HydrophobicContact CG2-CD1 3.86Å; L270-R273 HydrophobicContact CB-CG 3.75Å
271	T	98.9	Very high	97.6	Very high	10 Å²	10	36.6 Å²	36.6	6%	0.061	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	141.9	172.1	-59.5	0	0	0	0	110.1	C43 S47 E66 T67 R273	C43-T271 PolarHBondContact O-OG1 2.88Å; S47-T271 PolarHBondContact OG-OG1 2.84Å; E66-T271 VanDerWaalsContact OE2-CB 3.26Å; E66-T271 WeakPolarHBondContact OE2-CB 3.19Å; E66-T271 WeakPolarHBondContact OE2-CG2 3.32Å; T67-T271 WeakPolarHBondContact CA-OG1 3.41Å; T67-T271 WeakPolarHBondContact CB-OG1 3.44Å; T67-T271 PolarHBondContact N-OG1 2.91Å; T67-T271 PolarHBondContact O-N 3.43Å; T67-T271 PolarHBondContact O-OG1 2.79Å; T271-R273 VanDerWaalsContact C-N 3.29Å; T271-R273 PolarHBondContact O-N 3.22Å
272	G	98.6	Very high	97.8	Very high	14 Å²	14	34 Å²	34	14%	0.144	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	18.7	175.7	0	0	0	0	0	115.2	D44 I275 A290	D44-G272 PolarHBondContact OD1-N 3.14Å; G272-I275 VanDerWaalsContact O-CG2 3.27Å; G272-I275 WeakPolarHBondContact O-CG2 3.23Å; G272-A290 VanDerWaalsContact CA-CB 3.42Å
273	R	98.6	Very high	98	Very high	157 Å²	157	34.5 Å²	34.5	59%	0.592	20%	0.196	S	C	*	.	S	Bend	trans	-96.9	12.6	174.6	-66.4	-58.4	-56.5	-76.9	-1.5	114.2	D40 L270 T271	D40-R273 HydrophobicContact CB-CB 4.15Å; L270-R273 HydrophobicContact CB-CG 3.75Å; T271-R273 VanDerWaalsContact C-N 3.29Å; T271-R273 PolarHBondContact O-N 3.22Å
274	K	98.6	Very high	98	Very high	35 Å²	35	35.7 Å²	35.7	15%	0.152	21%	0.208	C	C	.	.			trans	-130.5	25.9	178.6	-69.1	-69.6	165.6	-79.7	0	113.2	V34 D40 K41 I276 V277 D278	V34-K274 HydrophobicContact CG1-CD 4.3Å; V34-K274 HydrophobicContact CG2-CD 3.86Å; V34-K274 HydrophobicContact CG2-CG 4.22Å; D40-K274 HydrophobicContact CB-CG 3.73Å; D40-K274 WeakPolarHBondContact OD2-CE 3.13Å; D40-K274 IonicContact OD2-NZ 3.8Å; D40-K274 PolarHBondContact OD2-NZ 2.57Å; K41-K274 HydrophobicContact CD-CB 4.32Å; K41-K274 HydrophobicContact CD-CG 4.47Å; K41-K274 HydrophobicContact CG-CG 4.46Å; K274-I276 VanDerWaalsContact C-N 3.25Å; K274-I276 PolarHBondContact O-N 3.48Å; K274-V277 HydrophobicContact CB-CB 4.19Å; K274-V277 HydrophobicContact CD-CB 4.48Å; K274-V277 HydrophobicContact CD-CG2 4.03Å; K274-V277 CarbonylContact O-C 3.31Å; K274-V277 WeakPolarHBondContact O-CA 3.21Å; K274-V277 VanDerWaalsContact O-CB 3.32Å; K274-V277 WeakPolarHBondContact O-CB 3.24Å; K274-V277 PolarHBondContact O-N 3.36Å; K274-D278 PolarHBondContact O-N 3.33Å
275	I	98.8	Very high	98	Very high	38 Å²	38	37.2 Å²	37.2	20%	0.195	22%	0.221	C	C	.	.	H	α-helix	trans	-55	-32.3	-174.7	70.7	-170.4	0	0	0	115.1	G272 D278 T279 A290	G272-I275 VanDerWaalsContact O-CG2 3.27Å; G272-I275 WeakPolarHBondContact O-CG2 3.23Å; I275-D278 PolarHBondContact O-N 2.91Å; I275-T279 WeakPolarHBondContact O-CG2 3.39Å; I275-T279 PolarHBondContact O-N 3.39Å; I275-T279 PolarHBondContact O-OG1 3.5Å; I275-A290 HydrophobicContact CG2-CB 4.02Å
276	I	98.8	Very high	98.1	Very high	73 Å²	73	34.7 Å²	34.7	37%	0.374	21%	0.212	S	C	.	.	H	α-helix	trans	-77.9	-34.7	176.4	-58.5	-56.5	0	0	0	111.9	K274 D278 T279 Y280 G281 G282 H286	K274-I276 VanDerWaalsContact C-N 3.25Å; K274-I276 PolarHBondContact O-N 3.48Å; I276-D278 PolarHBondContact O-N 3.4Å; I276-T279 PolarHBondContact O-N 2.85Å; I276-T279 PolarHBondContact O-OG1 3.42Å; I276-Y280 PolarHBondContact O-N 3.08Å; I276-G281 WeakPolarHBondContact O-CA 3.13Å; I276-G281 PolarHBondContact O-N 3.41Å; I276-G282 VanDerWaalsContact CG2-N 3.26Å; I276-H286 HydrophobicContact CD1-CB 3.58Å
277	V	98.7	Very high	98.3	Very high	6 Å²	6	33.4 Å²	33.4	4%	0.036	20%	0.204	C	C	.	.	H	α-helix	trans	-66.4	-31.5	170.1	175.5	0	0	0	0	110.1	E32 H167 K274 T279	E32-V277 HydrophobicContact CG-CG2 4.44Å; H167-V277 PolarHBondContact CE1-O 3.01Å; H167-V277 PolarHBondContact NE2-O 3.31Å; H167-V277 VanDerWaalsContact NE2-O 3.15Å; K274-V277 HydrophobicContact CB-CB 4.19Å; K274-V277 HydrophobicContact CD-CB 4.48Å; K274-V277 HydrophobicContact CD-CG2 4.03Å; K274-V277 CarbonylContact O-C 3.31Å; K274-V277 WeakPolarHBondContact O-CA 3.21Å; K274-V277 VanDerWaalsContact O-CB 3.32Å; K274-V277 WeakPolarHBondContact O-CB 3.24Å; K274-V277 PolarHBondContact O-N 3.36Å; V277-T279 VanDerWaalsContact C-N 3.3Å; V277-T279 PolarHBondContact O-N 3Å
278	D	98.8	Very high	98.5	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.011	22%	0.215	C	C	.	.	H	α-helix	trans	-75.7	-18.2	179	-75.2	-33.4	0	0	0	115.2	K41 K274 I275 I276 F291 H388	K41-D278 WeakPolarHBondContact CE-OD1 3.39Å; K41-D278 IonicContact NZ-OD1 2.73Å; K41-D278 PolarHBondContact NZ-OD1 3.36Å; K41-D278 IonicContact NZ-OD2 2.93Å; K41-D278 PolarHBondContact NZ-OD2 3.17Å; K274-D278 PolarHBondContact O-N 3.33Å; I275-D278 PolarHBondContact O-N 2.91Å; I276-D278 PolarHBondContact O-N 3.4Å; D278-F291 HydrophobicContact CB-CD2 4.01Å; D278-F291 HydrophobicContact CB-CE2 4Å; D278-H388 PolarHBondContact O-N 3.13Å; D278-H388 IonicContact OD1-CD2 3.35Å; D278-H388 PolarHBondContact OD1-CD2 2.81Å; D278-H388 IonicContact OD1-NE2 3.89Å
279	T	98.8	Very high	98.5	Very high	6 Å²	6	31.4 Å²	31.4	4%	0.037	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-99.6	-173.2	52	0	0	0	0	111.6	M159 L163 I275 I276 V277 H286 F291 F389	M159-T279 WeakPolarHBondContact CE-O 3.41Å; L163-T279 WeakPolarHBondContact CD2-O 3.41Å; I275-T279 WeakPolarHBondContact O-CG2 3.39Å; I275-T279 PolarHBondContact O-N 3.39Å; I275-T279 PolarHBondContact O-OG1 3.5Å; I276-T279 PolarHBondContact O-N 2.85Å; I276-T279 PolarHBondContact O-OG1 3.42Å; V277-T279 VanDerWaalsContact C-N 3.3Å; V277-T279 PolarHBondContact O-N 3Å; T279-H286 PolarHBondContact OG1-CD2 3.15Å; T279-F291 HydrophobicContact CG2-CE2 3.48Å; T279-F291 VanDerWaalsContact CG2-CE2 3.48Å; T279-F291 HydrophobicContact CG2-CZ 3.41Å; T279-F291 VanDerWaalsContact CG2-CZ 3.41Å; T279-F389 HydrophobicContact CG2-CE2 3.78Å
280	Y	98.8	Very high	98.5	Very high	1 Å²	1	32.1 Å²	32.1	0%	0.004	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.4	11.2	-164.4	-51.2	-58	0	0	0	112.9	G149 Y150 M159 I276 G282 W283 F389	G149-Y280 VanDerWaalsContact CA-OH 3.32Å; G149-Y280 WeakPolarHBondContact CA-OH 3.43Å; Y150-Y280 HydrophobicContact CD1-CD1 4.27Å; Y150-Y280 HydrophobicContact CD1-CG 4.33Å; Y150-Y280 HydrophobicContact CG-CG 4.42Å; Y150-Y280 PolarHBondContact N-OH 2.77Å; Y150-Y280 VanDerWaalsContact N-OH 3.11Å; Y150-Y280 WeakPolarHBondContact O-CE1 3.35Å; M159-Y280 HydrophobicContact CE-CD1 4.33Å; M159-Y280 HydrophobicContact SD-CD1 4.33Å; M159-Y280 HydrophobicContact SD-CE1 4.43Å; I276-Y280 PolarHBondContact O-N 3.08Å; Y280-G282 PolarHBondContact O-N 3.26Å; Y280-W283 VanDerWaalsContact CB-O 3.23Å; Y280-W283 WeakPolarHBondContact CB-O 3.42Å; Y280-W283 WeakPolarHBondContact O-CB 3.41Å; Y280-W283 PolarHBondContact O-N 3.48Å; Y280-F389 AromaticContact CD1-CD2 3.99Å; Y280-F389 HydrophobicContact CD1-CD2 3.99Å; Y280-F389 HydrophobicContact CE1-CB 4.39Å; Y280-F389 AromaticContact CE1-CD2 3.22Å; Y280-F389 HydrophobicContact CE1-CD2 3.22Å; Y280-F389 AromaticContact CE1-CE2 3.68Å; Y280-F389 HydrophobicContact CE1-CE2 3.68Å; Y280-F389 HydrophobicContact CE1-CG 4.05Å; Y280-F389 HydrophobicContact CE2-CD2 4.41Å; Y280-F389 HydrophobicContact CE2-CE2 4.06Å; Y280-F389 AromaticContact CZ-CD2 3.47Å; Y280-F389 VanDerWaalsContact CZ-CD2 3.47Å; Y280-F389 AromaticContact CZ-CE2 3.36Å; Y280-F389 WeakPolarHBondContact OH-CD2 3.31Å; Y280-F389 WeakPolarHBondContact OH-CE2 3.46Å
281	G	98.5	Very high	98.5	Very high	5 Å²	5	29.7 Å²	29.7	5%	0.052	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	65	28.9	170.4	0	0	0	0	0	113.2	S31 I276	S31-G281 VanDerWaalsContact CB-O 3.32Å; S31-G281 WeakPolarHBondContact CB-O 3.25Å; S31-G281 PolarHBondContact OG-O 3.4Å; I276-G281 WeakPolarHBondContact O-CA 3.13Å; I276-G281 PolarHBondContact O-N 3.41Å
282	G	98.2	Very high	98.5	Very high	48 Å²	48	29.2 Å²	29.2	50%	0.495	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	98.7	-14.4	-177	0	0	0	0	0	114.2	I276 Y280	I276-G282 VanDerWaalsContact CG2-N 3.26Å; Y280-G282 PolarHBondContact O-N 3.26Å
283	W	98.4	Very high	98.5	Very high	11 Å²	11	28.6 Å²	28.6	4%	0.042	18%	0.183	C	C	.	.	S	Bend	trans	-75.6	159.8	172.8	-66.8	95.6	0	0	0	111.9	F27 F29 Y150 P160 T162 Y197 C204 Y280 A285	F27-W283 HydrophobicContact CE2-CH2 4.1Å; F27-W283 HydrophobicContact CZ-CH2 4.3Å; F29-W283 HydrophobicContact CB-CH2 4.21Å; F29-W283 HydrophobicContact CB-CZ2 3.67Å; F29-W283 AromaticContact CD1-CD1 3.94Å; F29-W283 HydrophobicContact CD1-CD2 4.22Å; F29-W283 AromaticContact CD1-CE2 3.38Å; F29-W283 AromaticContact CD1-CZ2 3.6Å; F29-W283 HydrophobicContact CD1-CZ2 3.6Å; F29-W283 AromaticContact CD1-NE1 3.22Å; F29-W283 HydrophobicContact CD2-CD2 4.43Å; F29-W283 AromaticContact CD2-CH2 3.93Å; F29-W283 HydrophobicContact CD2-CH2 3.93Å; F29-W283 AromaticContact CD2-CZ2 3.78Å; F29-W283 HydrophobicContact CD2-CZ2 3.78Å; F29-W283 HydrophobicContact CD2-CZ3 4.31Å; F29-W283 AromaticContact CE1-CD1 3.45Å; F29-W283 VanDerWaalsContact CE1-CD1 3.45Å; F29-W283 AromaticContact CE1-CD2 3.96Å; F29-W283 HydrophobicContact CE1-CD2 3.96Å; F29-W283 AromaticContact CE1-CE2 3.55Å; F29-W283 AromaticContact CE1-CG 3.93Å; F29-W283 HydrophobicContact CE1-CG 3.93Å; F29-W283 HydrophobicContact CE1-CZ2 4.19Å; F29-W283 AromaticContact CE1-NE1 3.23Å; F29-W283 HydrophobicContact CE2-CD2 4.16Å; F29-W283 HydrophobicContact CE2-CE3 4.32Å; F29-W283 HydrophobicContact CE2-CH2 4.48Å; F29-W283 HydrophobicContact CE2-CZ2 4.33Å; F29-W283 HydrophobicContact CE2-CZ3 4.46Å; F29-W283 HydrophobicContact CG-CD2 4.46Å; F29-W283 AromaticContact CG-CE2 3.64Å; F29-W283 AromaticContact CG-CH2 3.96Å; F29-W283 HydrophobicContact CG-CH2 3.96Å; F29-W283 AromaticContact CG-CZ2 3.37Å; F29-W283 HydrophobicContact CG-CZ2 3.37Å; F29-W283 AromaticContact CG-NE1 3.97Å; F29-W283 AromaticContact CZ-CD1 3.99Å; F29-W283 AromaticContact CZ-CD2 3.92Å; F29-W283 HydrophobicContact CZ-CD2 3.92Å; F29-W283 AromaticContact CZ-CE2 3.93Å; F29-W283 HydrophobicContact CZ-CE3 4.48Å; F29-W283 HydrophobicContact CZ-CG 4.01Å; F29-W283 AromaticContact CZ-NE1 3.98Å; Y150-W283 HydrophobicContact CD1-CB 4.4Å; Y150-W283 HydrophobicContact CE1-CB 4.03Å; P160-W283 HydrophobicContact CB-CB 4.18Å; P160-W283 HydrophobicContact CB-CD2 4.37Å; P160-W283 HydrophobicContact CB-CG 3.68Å; P160-W283 HydrophobicContact CG-CB 3.73Å; P160-W283 HydrophobicContact CG-CG 3.81Å; T162-W283 PolarHBondContact OG1-NE1 3.41Å; Y197-W283 HydrophobicContact CD2-CH2 4.48Å; Y197-W283 HydrophobicContact CD2-CZ2 4.14Å; Y197-W283 HydrophobicContact CE1-CZ2 4.25Å; Y197-W283 HydrophobicContact CE2-CH2 4.47Å; Y197-W283 AromaticContact CE2-CZ2 3.74Å; Y197-W283 HydrophobicContact CE2-CZ2 3.74Å; Y197-W283 HydrophobicContact CG-CH2 4.48Å; Y197-W283 AromaticContact CZ-CZ2 3.82Å; C204-W283 HydrophobicContact CB-CH2 4.32Å; C204-W283 HydrophobicContact CB-CZ3 4.45Å; C204-W283 WeakPolarHBondContact SG-CZ3 3.41Å; Y280-W283 VanDerWaalsContact CB-O 3.23Å; Y280-W283 WeakPolarHBondContact CB-O 3.42Å; Y280-W283 WeakPolarHBondContact O-CB 3.41Å; Y280-W283 PolarHBondContact O-N 3.48Å; W283-A285 PolarHBondContact O-N 3Å
284	G	97.1	Very high	98.5	Very high	25 Å²	25	22.3 Å²	22.3	26%	0.258	16%	0.16	S	C	.	.	S	Bend	trans	63.9	-123.4	-175.5	0	0	0	0	0	110.6
285	A	98.3	Very high	98.5	Very high	33 Å²	33	20.8 Å²	20.8	27%	0.273	15%	0.153	S	C	.	.			trans	-154.2	173.8	175.7	0	0	0	0	0	110.4	F148 W283 M324	F148-A285 HydrophobicContact CB-CB 4.36Å; F148-A285 WeakPolarHBondContact CB-O 3.48Å; F148-A285 HydrophobicContact CD1-CB 3.65Å; F148-A285 HydrophobicContact CD2-CB 3.73Å; F148-A285 HydrophobicContact CE1-CB 3.68Å; F148-A285 HydrophobicContact CE2-CB 3.74Å; F148-A285 HydrophobicContact CG-CB 3.66Å; F148-A285 HydrophobicContact CZ-CB 3.72Å; W283-A285 PolarHBondContact O-N 3Å; A285-M324 HydrophobicContact CB-SD 3.68Å
286	H	98.7	Very high	98.4	Very high	48 Å²	48	19.1 Å²	19.1	22%	0.222	15%	0.145	C	C	.	.			trans	-140.1	139.8	176.9	-161.5	-82.8	0	0	0	110.4	F148 I276 T279 G288 G289	F148-H286 VanDerWaalsContact CD2-C 3.48Å; I276-H286 HydrophobicContact CD1-CB 3.58Å; T279-H286 PolarHBondContact OG1-CD2 3.15Å; H286-G288 PolarHBondContact ND1-N 2.93Å; H286-G289 PolarHBondContact CE1-O 2.93Å
287	G	98.1	Very high	98.3	Very high	27 Å²	27	15.7 Å²	15.7	28%	0.278	13%	0.127	S	C	.	.			trans	-94	-11.7	-175.5	0	0	0	0	0	115.4	L146	L146-G287 VanDerWaalsContact O-CA 3.3Å; L146-G287 WeakPolarHBondContact O-CA 3.44Å
288	G	98.1	Very high	98.2	Very high	51 Å²	51	16.4 Å²	16.4	53%	0.526	13%	0.13	S	C	.	.	S	Bend	trans	109.7	-21.5	173.5	0	0	0	0	0	114.2	H286 A290	H286-G288 PolarHBondContact ND1-N 2.93Å; G288-A290 PolarHBondContact O-N 3.26Å
289	G	98.3	Very high	98.1	Very high	14 Å²	14	16.3 Å²	16.3	14%	0.144	13%	0.13	C	C	.	.			trans	-67.6	127.1	178.6	0	0	0	0	0	113.5	H286	H286-G289 PolarHBondContact CE1-O 2.93Å
290	A	98.7	Very high	98.1	Very high	14 Å²	14	17.1 Å²	17.1	12%	0.116	13%	0.134	C	C	.	.			trans	-74.9	160	167.6	0	0	0	0	0	111.9	G272 I275 G288 K294	G272-A290 VanDerWaalsContact CA-CB 3.42Å; I275-A290 HydrophobicContact CG2-CB 4.02Å; G288-A290 PolarHBondContact O-N 3.26Å; A290-K294 VanDerWaalsContact O-CD 3.32Å; A290-K294 WeakPolarHBondContact O-CD 3.35Å; A290-K294 WeakPolarHBondContact O-CE 3.34Å; A290-K294 PolarHBondContact O-NZ 2.99Å
291	F	98.8	Very high	98.1	Very high	5 Å²	5	17.1 Å²	17.1	2%	0.022	13%	0.134	C	C	.	.			trans	-100.5	-57	-179.2	-53.5	-34.6	0	0	0	112.8	D278 T279 K294 D300 R301 A304 H388 F389	D278-F291 HydrophobicContact CB-CD2 4.01Å; D278-F291 HydrophobicContact CB-CE2 4Å; T279-F291 HydrophobicContact CG2-CE2 3.48Å; T279-F291 VanDerWaalsContact CG2-CE2 3.48Å; T279-F291 HydrophobicContact CG2-CZ 3.41Å; T279-F291 VanDerWaalsContact CG2-CZ 3.41Å; F291-K294 WeakPolarHBondContact O-CB 3.33Å; F291-K294 PolarHBondContact O-N 2.88Å; F291-D300 WeakPolarHBondContact CD1-O 3.4Å; F291-D300 VanDerWaalsContact CE1-O 3.24Å; F291-D300 WeakPolarHBondContact CE1-O 3.37Å; F291-R301 VanDerWaalsContact C-CZ 3.4Å; F291-R301 HydrophobicContact CD1-CB 4.42Å; F291-R301 PolarHBondContact O-NE 3.46Å; F291-R301 PolarHBondContact O-NH1 2.93Å; F291-R301 PolarHBondContact O-NH2 3.46Å; F291-R301 VanDerWaalsContact O-NH2 3.12Å; F291-A304 HydrophobicContact CE1-CB 3.64Å; F291-A304 HydrophobicContact CZ-CB 3.97Å; F291-H388 VanDerWaalsContact CB-CE1 3.45Å; F291-H388 WeakPolarHBondContact CB-CE1 3.26Å; F291-H388 HydrophobicContact CD2-CB 4.24Å; F291-H388 AromaticContact CD2-CD2 3.6Å; F291-H388 AromaticContact CD2-CE1 3.66Å; F291-H388 AromaticContact CD2-CG 3.51Å; F291-H388 AromaticContact CD2-ND1 3.53Å; F291-H388 AromaticContact CD2-NE2 3.67Å; F291-H388 HydrophobicContact CE2-CB 4.32Å; F291-F389 HydrophobicContact CE2-CZ 4.34Å; F291-F389 HydrophobicContact CZ-CZ 4.3Å
292	S	98.9	Very high	98.1	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.007	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	140	-171.2	-47.7	0	0	0	0	113.7	D44 D48 K294	D44-S292 VanDerWaalsContact CB-OG 3.24Å; D44-S292 WeakPolarHBondContact CB-OG 3.45Å; D44-S292 VanDerWaalsContact CG-OG 3.25Å; D44-S292 WeakPolarHBondContact OD1-CB 3.43Å; D44-S292 PolarHBondContact OD1-OG 2.9Å; D48-S292 WeakPolarHBondContact OD1-CA 3.26Å; S292-K294 VanDerWaalsContact C-N 3.26Å; S292-K294 PolarHBondContact O-N 3.12Å
293	G	98.7	Very high	98.1	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	2.9	177.6	0	0	0	0	0	115.6	D48 V63 A64 I65	D48-G293 PolarHBondContact OD1-N 3.34Å; V63-G293 CarbonylContact C-O 3.33Å; V63-G293 WeakPolarHBondContact CG1-O 3.38Å; A64-G293 WeakPolarHBondContact CA-O 3.36Å; I65-G293 PolarHBondContact N-O 2.99Å
294	K	98.7	Very high	98.2	Very high	26 Å²	26	14.2 Å²	14.2	11%	0.113	11%	0.107	C	C	.	.	B	Isolated β-bridge	trans	-108	129	-178.4	-60	-179.3	-178.8	173.8	0	112.1	L51 V63 A290 F291 S292 K298 D300 R301	L51-K294 VanDerWaalsContact CD2-O 3.24Å; L51-K294 WeakPolarHBondContact CD2-O 3.47Å; V63-K294 WeakPolarHBondContact O-CA 3.16Å; A290-K294 VanDerWaalsContact O-CD 3.32Å; A290-K294 WeakPolarHBondContact O-CD 3.35Å; A290-K294 WeakPolarHBondContact O-CE 3.34Å; A290-K294 PolarHBondContact O-NZ 2.99Å; F291-K294 WeakPolarHBondContact O-CB 3.33Å; F291-K294 PolarHBondContact O-N 2.88Å; S292-K294 VanDerWaalsContact C-N 3.26Å; S292-K294 PolarHBondContact O-N 3.12Å; K294-K298 HydrophobicContact CB-CB 3.92Å; K294-K298 HydrophobicContact CB-CG 4.12Å; K294-K298 HydrophobicContact CD-CB 4.15Å; K294-K298 HydrophobicContact CD-CG 4.34Å; K294-K298 HydrophobicContact CG-CB 4.47Å; K294-K298 HydrophobicContact CG-CG 4.41Å; K294-D300 HydrophobicContact CD-CB 4.4Å; K294-D300 IonicContact NZ-OD2 2.72Å; K294-D300 PolarHBondContact NZ-OD2 3.49Å; K294-R301 WeakPolarHBondContact O-CD 3.49Å; K294-R301 PolarHBondContact O-NH1 3.31Å
295	D	98	Very high	98.3	Very high	2 Å²	2	13 Å²	13	1%	0.011	10%	0.095	C	C	.	.			trans	-69.4	162.3	171.8	81.9	82.6	0	0	0	111.9	L51 K62 V63 T297 K298	L51-D295 HydrophobicContact CD1-CB 3.9Å; K62-D295 VanDerWaalsContact CA-OD2 3.3Å; K62-D295 WeakPolarHBondContact CA-OD2 3.36Å; V63-D295 HydrophobicContact CB-CB 4.26Å; V63-D295 PolarHBondContact N-OD2 3.36Å; V63-D295 PolarHBondContact O-N 3.13Å; D295-T297 PolarHBondContact O-N 3.36Å; D295-T297 VanDerWaalsContact OD1-CB 3.27Å; D295-T297 WeakPolarHBondContact OD1-CB 3.49Å; D295-T297 WeakPolarHBondContact OD1-CG2 3.24Å; D295-T297 PolarHBondContact OD1-N 3.42Å; D295-T297 PolarHBondContact OD1-OG1 3.34Å; D295-T297 PolarHBondContact OD2-OG1 2.85Å; D295-K298 WeakPolarHBondContact O-CB 3.4Å; D295-K298 PolarHBondContact O-N 3.45Å; D295-K298 WeakPolarHBondContact OD2-CD 3.3Å; D295-K298 WeakPolarHBondContact OD2-CE 3.34Å; D295-K298 IonicContact OD2-NZ 2.78Å; D295-K298 PolarHBondContact OD2-NZ 2.9Å
296	P	97.5	Very high	98.3	Very high	3 Å²	3	11.6 Å²	11.6	2%	0.019	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-13.3	-171.8	-26.6	38.4	0	0	0	116.2	K298 S302 I370 L375 Y380	P296-K298 PolarHBondContact O-N 2.91Å; P296-S302 WeakPolarHBondContact O-CB 3.46Å; P296-S302 PolarHBondContact O-OG 3.23Å; P296-I370 HydrophobicContact CB-CD1 3.84Å; P296-I370 HydrophobicContact CB-CG1 3.58Å; P296-I370 HydrophobicContact CB-CG2 4.49Å; P296-L375 HydrophobicContact CB-CB 3.77Å; P296-L375 HydrophobicContact CB-CD1 4.16Å; P296-L375 HydrophobicContact CG-CB 3.69Å; P296-L375 WeakPolarHBondContact CG-O 3.35Å; P296-Y380 VanDerWaalsContact CG-OH 3.25Å; P296-Y380 WeakPolarHBondContact CG-OH 3.43Å
297	T	95.6	Very high	98.3	Very high	2 Å²	2	9.3 Å²	9.3	1%	0.012	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-16.4	172.9	63.9	0	0	0	0	112.9	K62 I139 G142 D295 V299 I370	K62-T297 HydrophobicContact CD-CG2 4.2Å; I139-T297 HydrophobicContact CG2-CG2 4.4Å; G142-T297 WeakPolarHBondContact CA-O 3.48Å; G142-T297 PolarHBondContact N-O 3.48Å; D295-T297 PolarHBondContact O-N 3.36Å; D295-T297 VanDerWaalsContact OD1-CB 3.27Å; D295-T297 WeakPolarHBondContact OD1-CB 3.49Å; D295-T297 WeakPolarHBondContact OD1-CG2 3.24Å; D295-T297 PolarHBondContact OD1-N 3.42Å; D295-T297 PolarHBondContact OD1-OG1 3.34Å; D295-T297 PolarHBondContact OD2-OG1 2.85Å; T297-V299 PolarHBondContact O-N 3.48Å; T297-I370 HydrophobicContact CG2-CD1 4.03Å
298	K	97.3	Very high	98.3	Very high	20 Å²	20	8 Å²	8	9%	0.087	6%	0.059	C	C	.	.	S	Bend	trans	-82.9	107.8	174.7	-77.3	63.5	179.5	175	0	108.4	K294 D295 P296 D300 R301 S302	K294-K298 HydrophobicContact CB-CB 3.92Å; K294-K298 HydrophobicContact CB-CG 4.12Å; K294-K298 HydrophobicContact CD-CB 4.15Å; K294-K298 HydrophobicContact CD-CG 4.34Å; K294-K298 HydrophobicContact CG-CB 4.47Å; K294-K298 HydrophobicContact CG-CG 4.41Å; D295-K298 WeakPolarHBondContact O-CB 3.4Å; D295-K298 PolarHBondContact O-N 3.45Å; D295-K298 WeakPolarHBondContact OD2-CD 3.3Å; D295-K298 WeakPolarHBondContact OD2-CE 3.34Å; D295-K298 IonicContact OD2-NZ 2.78Å; D295-K298 PolarHBondContact OD2-NZ 2.9Å; P296-K298 PolarHBondContact O-N 2.91Å; K298-D300 PolarHBondContact O-N 3.46Å; K298-D300 VanDerWaalsContact O-N 3.16Å; K298-R301 PolarHBondContact O-N 3.31Å; K298-S302 PolarHBondContact O-N 3.11Å; K298-S302 PolarHBondContact O-OG 3.45Å
299	V	97.8	Very high	98.4	Very high	1 Å²	1	7.1 Å²	7.1	1%	0.006	4%	0.04	C	C	.	.	H	α-helix	trans	-62.3	-23.2	-174.5	-70.2	0	0	0	0	113.3	A141 M147 T297 R301 A303 Y329 P366	A141-V299 HydrophobicContact CB-CB 4.45Å; A141-V299 HydrophobicContact CB-CG1 3.64Å; A141-V299 HydrophobicContact CB-CG2 3.95Å; M147-V299 HydrophobicContact CE-CB 4.33Å; M147-V299 HydrophobicContact CE-CG2 3.8Å; M147-V299 HydrophobicContact SD-CB 4.37Å; M147-V299 HydrophobicContact SD-CG2 4.35Å; T297-V299 PolarHBondContact O-N 3.48Å; V299-R301 PolarHBondContact O-N 3.06Å; V299-R301 VanDerWaalsContact O-N 3.12Å; V299-A303 HydrophobicContact CB-CB 4.07Å; V299-A303 WeakPolarHBondContact O-CA 3.47Å; V299-A303 WeakPolarHBondContact O-CB 3.44Å; V299-A303 PolarHBondContact O-N 3.32Å; V299-Y329 HydrophobicContact CB-CD2 3.94Å; V299-Y329 HydrophobicContact CB-CE2 4.23Å; V299-Y329 HydrophobicContact CB-CG 4.4Å; V299-Y329 HydrophobicContact CG1-CD1 4.42Å; V299-Y329 HydrophobicContact CG1-CD2 4.11Å; V299-Y329 HydrophobicContact CG1-CE2 4.29Å; V299-Y329 HydrophobicContact CG1-CG 4.19Å; V299-Y329 HydrophobicContact CG2-CD2 4.05Å; V299-Y329 HydrophobicContact CG2-CG 4.32Å; V299-P366 HydrophobicContact CG1-CB 4.24Å; V299-P366 HydrophobicContact CG1-CG 3.77Å
300	D	98.4	Very high	98.4	Very high	23 Å²	23	6.4 Å²	6.4	12%	0.123	3%	0.033	C	C	.	.	H	α-helix	trans	-47.1	-41.7	169.6	-74.6	-21.4	0	0	0	112.5	M147 F291 K294 K298 A304	M147-D300 WeakPolarHBondContact CE-OD1 3.33Å; F291-D300 WeakPolarHBondContact CD1-O 3.4Å; F291-D300 VanDerWaalsContact CE1-O 3.24Å; F291-D300 WeakPolarHBondContact CE1-O 3.37Å; K294-D300 HydrophobicContact CD-CB 4.4Å; K294-D300 IonicContact NZ-OD2 2.72Å; K294-D300 PolarHBondContact NZ-OD2 3.49Å; K298-D300 PolarHBondContact O-N 3.46Å; K298-D300 VanDerWaalsContact O-N 3.16Å; D300-A304 WeakPolarHBondContact O-CB 3.42Å
301	R	98.7	Very high	98.4	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-90.3	-59.5	178.9	171	172.3	-87.9	-177.5	-14.2	111.5	D48 F291 K294 K298 V299 A303 A304 Y305	D48-R301 IonicContact OD1-CZ 3.22Å; D48-R301 VanDerWaalsContact OD1-CZ 3.24Å; D48-R301 IonicContact OD1-NH1 3.56Å; D48-R301 PolarHBondContact OD1-NH1 3.38Å; D48-R301 IonicContact OD1-NH2 2.83Å; D48-R301 PolarHBondContact OD1-NH2 3.04Å; D48-R301 IonicContact OD2-CZ 2.69Å; D48-R301 IonicContact OD2-NH2 2.65Å; D48-R301 PolarHBondContact OD2-NH2 2.76Å; F291-R301 VanDerWaalsContact C-CZ 3.4Å; F291-R301 HydrophobicContact CD1-CB 4.42Å; F291-R301 PolarHBondContact O-NE 3.46Å; F291-R301 PolarHBondContact O-NH1 2.93Å; F291-R301 PolarHBondContact O-NH2 3.46Å; F291-R301 VanDerWaalsContact O-NH2 3.12Å; K294-R301 WeakPolarHBondContact O-CD 3.49Å; K294-R301 PolarHBondContact O-NH1 3.31Å; K298-R301 PolarHBondContact O-N 3.31Å; V299-R301 PolarHBondContact O-N 3.06Å; V299-R301 VanDerWaalsContact O-N 3.12Å; R301-A303 PolarHBondContact O-N 3.11Å; R301-A304 PolarHBondContact O-N 3.15Å; R301-Y305 HydrophobicContact CG-CD2 4.19Å; R301-Y305 HydrophobicContact CG-CE1 4.16Å; R301-Y305 HydrophobicContact CG-CE2 3.68Å; R301-Y305 PolarHBondContact NE-OH 2.93Å; R301-Y305 VanDerWaalsContact O-CD1 3.28Å; R301-Y305 WeakPolarHBondContact O-CD1 3.32Å; R301-Y305 VanDerWaalsContact O-CG 3.25Å; R301-Y305 PolarHBondContact O-N 3.3Å
302	S	98.6	Very high	98.4	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-66.7	-39.7	-170.2	53.6	0	0	0	0	112.6	P296 K298 Y305 A306 I369	P296-S302 WeakPolarHBondContact O-CB 3.46Å; P296-S302 PolarHBondContact O-OG 3.23Å; K298-S302 PolarHBondContact O-N 3.11Å; K298-S302 PolarHBondContact O-OG 3.45Å; S302-Y305 PolarHBondContact O-N 3.22Å; S302-A306 PolarHBondContact O-N 3.23Å; S302-I369 WeakPolarHBondContact O-CG2 3.47Å
303	A	98.7	Very high	98.4	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-75	-33.5	178.3	0	0	0	0	0	112.4	M147 V299 R301 Y305 A306 C307 V327 Y329 I369	M147-A303 HydrophobicContact CB-CB 4.35Å; M147-A303 HydrophobicContact CG-CB 4.04Å; M147-A303 HydrophobicContact SD-CB 3.95Å; V299-A303 HydrophobicContact CB-CB 4.07Å; V299-A303 WeakPolarHBondContact O-CA 3.47Å; V299-A303 WeakPolarHBondContact O-CB 3.44Å; V299-A303 PolarHBondContact O-N 3.32Å; R301-A303 PolarHBondContact O-N 3.11Å; A303-Y305 VanDerWaalsContact C-N 3.32Å; A303-Y305 PolarHBondContact O-N 2.77Å; A303-A306 PolarHBondContact O-N 2.71Å; A303-C307 WeakPolarHBondContact O-CB 3.15Å; A303-C307 PolarHBondContact O-N 3.38Å; A303-C307 PolarHBondContact O-SG 3.06Å; A303-V327 HydrophobicContact CB-CG1 3.93Å; A303-Y329 HydrophobicContact CB-CD2 4.37Å; A303-Y329 HydrophobicContact CB-CE2 3.46Å; A303-Y329 VanDerWaalsContact CB-CE2 3.46Å; A303-I369 HydrophobicContact CB-CD1 4.39Å
304	A	98.9	Very high	98.4	Very high	4 Å²	4	5.7 Å²	5.7	3%	0.033	3%	0.027	C	C	.	.	H	α-helix	trans	-61.1	-42.4	170.2	0	0	0	0	0	111.5	M147 F291 D300 R301 C307 R308	M147-A304 HydrophobicContact CB-CB 4.2Å; M147-A304 HydrophobicContact CG-CB 4.4Å; F291-A304 HydrophobicContact CE1-CB 3.64Å; F291-A304 HydrophobicContact CZ-CB 3.97Å; D300-A304 WeakPolarHBondContact O-CB 3.42Å; R301-A304 PolarHBondContact O-N 3.15Å; A304-C307 PolarHBondContact O-N 3.42Å; A304-R308 PolarHBondContact O-N 3.43Å
305	Y	98.9	Very high	98.4	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-62.9	-42	174.1	-67.1	1.1	0	0	0	111.6	R301 S302 A303 R308 W309 L375 Y380 H388 F389 W396	R301-Y305 HydrophobicContact CG-CD2 4.19Å; R301-Y305 HydrophobicContact CG-CE1 4.16Å; R301-Y305 HydrophobicContact CG-CE2 3.68Å; R301-Y305 PolarHBondContact NE-OH 2.93Å; R301-Y305 VanDerWaalsContact O-CD1 3.28Å; R301-Y305 WeakPolarHBondContact O-CD1 3.32Å; R301-Y305 VanDerWaalsContact O-CG 3.25Å; R301-Y305 PolarHBondContact O-N 3.3Å; S302-Y305 PolarHBondContact O-N 3.22Å; A303-Y305 VanDerWaalsContact C-N 3.32Å; A303-Y305 PolarHBondContact O-N 2.77Å; Y305-R308 WeakPolarHBondContact O-CB 3.45Å; Y305-R308 PolarHBondContact O-N 3.08Å; Y305-W309 WeakPolarHBondContact O-CB 3.3Å; Y305-W309 PolarHBondContact O-N 3.34Å; Y305-L375 HydrophobicContact CD2-CD2 4.47Å; Y305-Y380 HydrophobicContact CE2-CE1 4.08Å; Y305-H388 HydrophobicContact CE1-CB 4.08Å; Y305-H388 AromaticContact CE1-ND1 3.66Å; Y305-H388 AromaticContact CZ-ND1 3.62Å; Y305-H388 PolarHBondContact OH-CE1 2.83Å; Y305-H388 PolarHBondContact OH-ND1 3.49Å; Y305-F389 AromaticContact CD1-CE1 3.69Å; Y305-F389 HydrophobicContact CD1-CE1 3.69Å; Y305-F389 HydrophobicContact CD1-CZ 4.21Å; Y305-F389 HydrophobicContact CE1-CE1 4.13Å; Y305-W396 HydrophobicContact CD1-CD2 4.34Å; Y305-W396 HydrophobicContact CD1-CZ2 4.5Å; Y305-W396 AromaticContact CD2-CD2 3.59Å; Y305-W396 HydrophobicContact CD2-CD2 3.59Å; Y305-W396 AromaticContact CD2-CE2 3.9Å; Y305-W396 AromaticContact CD2-CE3 3.26Å; Y305-W396 HydrophobicContact CD2-CE3 3.26Å; Y305-W396 HydrophobicContact CD2-CG 4.44Å; Y305-W396 AromaticContact CD2-CH2 3.68Å; Y305-W396 HydrophobicContact CD2-CH2 3.68Å; Y305-W396 AromaticContact CD2-CZ2 3.95Å; Y305-W396 HydrophobicContact CD2-CZ2 3.95Å; Y305-W396 AromaticContact CD2-CZ3 3.31Å; Y305-W396 HydrophobicContact CD2-CZ3 3.31Å; Y305-W396 HydrophobicContact CE1-CZ2 4.17Å; Y305-W396 HydrophobicContact CE2-CD2 4.1Å; Y305-W396 AromaticContact CE2-CE2 3.98Å; Y305-W396 AromaticContact CE2-CE3 3.76Å; Y305-W396 HydrophobicContact CE2-CE3 3.76Å; Y305-W396 AromaticContact CE2-CH2 3.19Å; Y305-W396 HydrophobicContact CE2-CH2 3.19Å; Y305-W396 AromaticContact CE2-CZ2 3.56Å; Y305-W396 HydrophobicContact CE2-CZ2 3.56Å; Y305-W396 AromaticContact CE2-CZ3 3.29Å; Y305-W396 HydrophobicContact CE2-CZ3 3.29Å; Y305-W396 AromaticContact CG-CD2 3.7Å; Y305-W396 HydrophobicContact CG-CD2 3.7Å; Y305-W396 AromaticContact CG-CE2 3.98Å; Y305-W396 AromaticContact CG-CE3 3.85Å; Y305-W396 HydrophobicContact CG-CE3 3.85Å; Y305-W396 HydrophobicContact CG-CG 4.12Å; Y305-W396 HydrophobicContact CG-CZ2 4.39Å; Y305-W396 HydrophobicContact CG-CZ3 4.27Å; Y305-W396 AromaticContact CZ-CH2 3.73Å; Y305-W396 AromaticContact CZ-CZ2 3.67Å; Y305-W396 WeakPolarHBondContact O-CB 3.24Å
306	A	98.8	Very high	98.4	Very high	2 Å²	2	9.5 Å²	9.5	2%	0.017	4%	0.044	C	C	.	.	H	α-helix	trans	-63.9	-41.6	175.3	0	0	0	0	0	112.3	S302 A303 W309 I310 L364 I369	S302-A306 PolarHBondContact O-N 3.23Å; A303-A306 PolarHBondContact O-N 2.71Å; A306-W309 WeakPolarHBondContact O-CB 3.27Å; A306-W309 PolarHBondContact O-N 2.98Å; A306-I310 WeakPolarHBondContact O-CG1 3.42Å; A306-I310 PolarHBondContact O-N 3.13Å; A306-L364 HydrophobicContact CB-CD2 3.98Å; A306-I369 HydrophobicContact CB-CD1 3.83Å; A306-I369 HydrophobicContact CB-CG1 4.02Å; A306-I369 HydrophobicContact CB-CG2 3.95Å
307	C	98.9	Very high	98.4	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-64.4	-41	176.1	-68.4	0	0	0	0	111.7	G149 A303 A304 W309 I310 A311 V325 V327	G149-C307 VanDerWaalsContact CA-CB 3.43Å; A303-C307 WeakPolarHBondContact O-CB 3.15Å; A303-C307 PolarHBondContact O-N 3.38Å; A303-C307 PolarHBondContact O-SG 3.06Å; A304-C307 PolarHBondContact O-N 3.42Å; C307-W309 VanDerWaalsContact C-N 3.31Å; C307-W309 PolarHBondContact O-N 2.87Å; C307-I310 PolarHBondContact O-N 2.74Å; C307-A311 WeakPolarHBondContact O-CB 3.32Å; C307-A311 PolarHBondContact O-N 3.5Å; C307-V325 HydrophobicContact CB-CB 4.13Å; C307-V325 HydrophobicContact CB-CG1 4.02Å; C307-V327 WeakPolarHBondContact SG-CG1 3.22Å
308	R	98.9	Very high	98.4	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-57.7	-47	170.8	171.5	58.9	177.7	171.5	3.9	110.9	Y150 E157 C158 M159 A304 Y305 I310 A311 K312 F389 E397	Y150-R308 WeakPolarHBondContact O-CD 3.31Å; Y150-R308 PolarHBondContact O-NH1 3.19Å; E157-R308 PolarHBondContact O-NH2 2.91Å; C158-R308 PolarHBondContact O-NH1 3.28Å; M159-R308 VanDerWaalsContact SD-CZ 3.59Å; A304-R308 PolarHBondContact O-N 3.43Å; Y305-R308 WeakPolarHBondContact O-CB 3.45Å; Y305-R308 PolarHBondContact O-N 3.08Å; R308-I310 VanDerWaalsContact C-N 3.33Å; R308-I310 PolarHBondContact O-N 3.16Å; R308-A311 PolarHBondContact O-N 2.66Å; R308-K312 WeakPolarHBondContact O-CB 3.22Å; R308-K312 PolarHBondContact O-N 3.36Å; R308-F389 HydrophobicContact CB-CD1 3.91Å; R308-F389 HydrophobicContact CB-CE1 3.72Å; R308-F389 HydrophobicContact CB-CG 4.48Å; R308-F389 HydrophobicContact CB-CZ 4.13Å; R308-F389 HydrophobicContact CG-CB 4.4Å; R308-F389 HydrophobicContact CG-CD1 3.55Å; R308-F389 HydrophobicContact CG-CE1 3.92Å; R308-F389 HydrophobicContact CG-CG 3.97Å; R308-E397 WeakPolarHBondContact CG-OE1 3.44Å; R308-E397 IonicContact CZ-OE1 3.67Å; R308-E397 IonicContact CZ-OE2 2.79Å; R308-E397 IonicContact NE-OE1 2.66Å; R308-E397 PolarHBondContact NE-OE1 2.97Å; R308-E397 IonicContact NE-OE2 3.72Å; R308-E397 IonicContact NH2-OE1 3.9Å; R308-E397 PolarHBondContact NH2-OE1 2.84Å; R308-E397 IonicContact NH2-OE2 2.68Å; R308-E397 PolarHBondContact NH2-OE2 3.41Å
309	W	98.8	Very high	98.4	Very high	32 Å²	32	14.9 Å²	14.9	12%	0.121	9%	0.094	C	C	.	.	H	α-helix	trans	-59.4	-43.6	-180	-175.4	40.4	0	0	0	112.1	Y305 A306 C307 S313 F362 L373 W396 K398 K400	Y305-W309 WeakPolarHBondContact O-CB 3.3Å; Y305-W309 PolarHBondContact O-N 3.34Å; A306-W309 WeakPolarHBondContact O-CB 3.27Å; A306-W309 PolarHBondContact O-N 2.98Å; C307-W309 VanDerWaalsContact C-N 3.31Å; C307-W309 PolarHBondContact O-N 2.87Å; W309-S313 VanDerWaalsContact O-CB 3.3Å; W309-S313 WeakPolarHBondContact O-CB 3.41Å; W309-S313 PolarHBondContact O-N 3.36Å; W309-S313 PolarHBondContact O-OG 2.82Å; W309-F362 HydrophobicContact CD2-CD1 4.15Å; W309-F362 AromaticContact CD2-CE1 3.66Å; W309-F362 HydrophobicContact CD2-CE1 3.66Å; W309-F362 AromaticContact CE2-CE1 3.92Å; W309-F362 AromaticContact CE3-CD1 3.57Å; W309-F362 HydrophobicContact CE3-CD1 3.57Å; W309-F362 AromaticContact CE3-CE1 3.59Å; W309-F362 HydrophobicContact CE3-CE1 3.59Å; W309-F362 HydrophobicContact CG-CE1 4.33Å; W309-F362 HydrophobicContact CH2-CD1 4.14Å; W309-F362 HydrophobicContact CH2-CE1 4.07Å; W309-F362 HydrophobicContact CZ2-CE1 4.13Å; W309-F362 AromaticContact CZ3-CD1 3.57Å; W309-F362 HydrophobicContact CZ3-CD1 3.57Å; W309-F362 AromaticContact CZ3-CE1 3.81Å; W309-F362 HydrophobicContact CZ3-CE1 3.81Å; W309-L373 HydrophobicContact CD2-CD2 3.79Å; W309-L373 HydrophobicContact CE3-CD2 3.79Å; W309-L373 HydrophobicContact CE3-CG 4.31Å; W309-L373 HydrophobicContact CG-CD2 4.23Å; W309-L373 HydrophobicContact CH2-CD2 4.44Å; W309-L373 HydrophobicContact CZ2-CD2 4.44Å; W309-L373 HydrophobicContact CZ3-CD2 4.12Å; W309-W396 WeakPolarHBondContact CA-O 3.3Å; W309-W396 HydrophobicContact CB-CB 4.12Å; W309-K398 PolarHBondContact NE1-O 3.25Å; W309-K400 HydrophobicContact CH2-CD 3.98Å; W309-K400 HydrophobicContact CZ2-CB 3.9Å; W309-K400 HydrophobicContact CZ2-CD 3.82Å; W309-K400 HydrophobicContact CZ2-CG 4.2Å
310	I	98.8	Very high	98.3	Very high	0 Å²	0	15 Å²	15	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-61.9	-55.1	174.1	-66.7	163.9	0	0	0	110.7	A306 C307 R308 K312 S313 L314 V325 V358 F362 L364	A306-I310 WeakPolarHBondContact O-CG1 3.42Å; A306-I310 PolarHBondContact O-N 3.13Å; C307-I310 PolarHBondContact O-N 2.74Å; R308-I310 VanDerWaalsContact C-N 3.33Å; R308-I310 PolarHBondContact O-N 3.16Å; I310-K312 VanDerWaalsContact C-N 3.33Å; I310-K312 PolarHBondContact O-N 2.81Å; I310-S313 PolarHBondContact O-N 2.9Å; I310-S313 VanDerWaalsContact O-N 3.12Å; I310-L314 HydrophobicContact CG2-CD1 3.96Å; I310-L314 HydrophobicContact CG2-CG 4.38Å; I310-L314 WeakPolarHBondContact O-CG 3.4Å; I310-L314 PolarHBondContact O-N 3.4Å; I310-V325 HydrophobicContact CB-CG2 4.12Å; I310-V325 HydrophobicContact CD1-CG1 4.28Å; I310-V325 HydrophobicContact CG2-CG1 4.46Å; I310-V325 HydrophobicContact CG2-CG2 3.72Å; I310-V358 HydrophobicContact CD1-CG1 3.81Å; I310-V358 HydrophobicContact CG1-CG1 4.25Å; I310-V358 HydrophobicContact CG2-CB 4.42Å; I310-V358 HydrophobicContact CG2-CG1 3.96Å; I310-V358 HydrophobicContact CG2-CG2 3.52Å; I310-F362 HydrophobicContact CD1-CB 4.22Å; I310-F362 HydrophobicContact CD1-CD2 4.45Å; I310-F362 HydrophobicContact CD1-CG 4.19Å; I310-F362 HydrophobicContact CG1-CB 4.22Å; I310-F362 HydrophobicContact CG1-CD1 3.76Å; I310-F362 HydrophobicContact CG1-CD2 3.75Å; I310-F362 HydrophobicContact CG1-CE1 3.99Å; I310-F362 HydrophobicContact CG1-CE2 3.97Å; I310-F362 HydrophobicContact CG1-CG 3.63Å; I310-F362 HydrophobicContact CG1-CZ 4.09Å; I310-F362 HydrophobicContact CG2-CE2 4.39Å; I310-L364 HydrophobicContact CD1-CD1 4.1Å; I310-L364 HydrophobicContact CD1-CD2 3.83Å; I310-L364 HydrophobicContact CD1-CG 4.47Å
311	A	98.9	Very high	98.3	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-58.2	-46.3	-176.1	0	0	0	0	0	111.2	A151 C307 R308 S313 L314 V315 C323 V325	A151-A311 HydrophobicContact CB-CB 3.8Å; A151-A311 WeakPolarHBondContact CB-O 3.41Å; C307-A311 WeakPolarHBondContact O-CB 3.32Å; C307-A311 PolarHBondContact O-N 3.5Å; R308-A311 PolarHBondContact O-N 2.66Å; A311-S313 VanDerWaalsContact C-N 3.34Å; A311-S313 PolarHBondContact O-N 2.81Å; A311-L314 PolarHBondContact O-N 3.46Å; A311-V315 PolarHBondContact O-N 3.02Å; A311-V315 VanDerWaalsContact O-N 3.07Å; A311-C323 HydrophobicContact CB-CB 4.35Å; A311-V325 HydrophobicContact CB-CG2 3.95Å
312	K	98.8	Very high	98.2	Very high	3 Å²	3	19 Å²	19	1%	0.013	11%	0.108	C	C	.	.	H	α-helix	trans	-62.4	-41.1	177.3	-171.9	175.7	-169.4	179.8	0	111.4	A151 C158 R308 I310 V315 K316 D392 E397	A151-K312 HydrophobicContact CB-CB 4.48Å; C158-K312 HydrophobicContact CB-CG 4.11Å; R308-K312 WeakPolarHBondContact O-CB 3.22Å; R308-K312 PolarHBondContact O-N 3.36Å; I310-K312 VanDerWaalsContact C-N 3.33Å; I310-K312 PolarHBondContact O-N 2.81Å; K312-V315 PolarHBondContact O-N 2.82Å; K312-K316 HydrophobicContact CG-CG 4.21Å; K312-K316 VanDerWaalsContact O-CB 3.28Å; K312-K316 WeakPolarHBondContact O-CB 3.4Å; K312-K316 WeakPolarHBondContact O-CG 3.49Å; K312-K316 PolarHBondContact O-N 2.9Å; K312-D392 IonicContact NZ-OD1 3.71Å; K312-E397 WeakPolarHBondContact CD-O 3.35Å; K312-E397 VanDerWaalsContact CD-OE2 3.31Å; K312-E397 WeakPolarHBondContact CD-OE2 3.32Å; K312-E397 VanDerWaalsContact CE-O 3.28Å; K312-E397 WeakPolarHBondContact CE-O 3.22Å; K312-E397 WeakPolarHBondContact CE-OE2 3.34Å; K312-E397 PolarHBondContact NZ-O 3.02Å; K312-E397 IonicContact NZ-OE2 3.75Å; K312-E397 PolarHBondContact NZ-OE2 2.97Å
313	S	98.7	Very high	98.2	Very high	1 Å²	1	19 Å²	19	1%	0.007	11%	0.108	C	C	.	.	H	α-helix	trans	-63.8	-44.2	178.3	-57.8	0	0	0	0	111.9	W309 I310 A311 K316 S317 K400	W309-S313 VanDerWaalsContact O-CB 3.3Å; W309-S313 WeakPolarHBondContact O-CB 3.41Å; W309-S313 PolarHBondContact O-N 3.36Å; W309-S313 PolarHBondContact O-OG 2.82Å; I310-S313 PolarHBondContact O-N 2.9Å; I310-S313 VanDerWaalsContact O-N 3.12Å; A311-S313 VanDerWaalsContact C-N 3.34Å; A311-S313 PolarHBondContact O-N 2.81Å; S313-K316 PolarHBondContact O-N 3Å; S313-S317 VanDerWaalsContact O-CB 3.25Å; S313-S317 WeakPolarHBondContact O-CB 3.42Å; S313-S317 PolarHBondContact O-N 3.21Å; S313-S317 PolarHBondContact O-OG 2.63Å; S313-S317 VanDerWaalsContact O-OG 3.1Å; S313-K400 PolarHBondContact OG-N 2.97Å
314	L	98.5	Very high	98.2	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-61.3	-46.5	177	-68.8	173.1	0	0	0	111.5	I310 A311 S317 L319 I341 L354 I357 V358 L402	I310-L314 HydrophobicContact CG2-CD1 3.96Å; I310-L314 HydrophobicContact CG2-CG 4.38Å; I310-L314 WeakPolarHBondContact O-CG 3.4Å; I310-L314 PolarHBondContact O-N 3.4Å; A311-L314 PolarHBondContact O-N 3.46Å; L314-S317 PolarHBondContact O-N 3.32Å; L314-S317 PolarHBondContact O-OG 2.94Å; L314-L319 HydrophobicContact CD2-CD1 3.87Å; L314-L319 PolarHBondContact O-N 2.91Å; L314-I341 HydrophobicContact CD1-CG2 4.13Å; L314-L354 HydrophobicContact CD2-CD2 4.34Å; L314-I357 HydrophobicContact CD2-CG2 4.4Å; L314-V358 HydrophobicContact CD1-CG2 4Å; L314-V358 HydrophobicContact CD2-CG2 4.43Å; L314-L402 HydrophobicContact CD2-CD1 3.8Å
315	V	98.5	Very high	98.1	Very high	12 Å²	12	19.8 Å²	19.8	7%	0.073	11%	0.111	C	C	.	.	H	α-helix	trans	-66.1	-47.3	178.1	174.4	0	0	0	0	111.7	A151 D153 A311 K312 S317 G318 C320 C323	A151-V315 HydrophobicContact CB-CB 4.14Å; A151-V315 HydrophobicContact CB-CG2 3.68Å; D153-V315 HydrophobicContact CB-CG1 4.25Å; A311-V315 PolarHBondContact O-N 3.02Å; A311-V315 VanDerWaalsContact O-N 3.07Å; K312-V315 PolarHBondContact O-N 2.82Å; V315-S317 PolarHBondContact O-N 3.22Å; V315-G318 PolarHBondContact O-N 3.09Å; V315-C320 WeakPolarHBondContact CA-O 3.46Å; V315-C323 HydrophobicContact CG2-CB 4.03Å
316	K	97.9	Very high	98.1	Very high	97 Å²	97	22 Å²	22	42%	0.422	12%	0.122	S	C	.	.	H	α-helix	trans	-65.5	-25.6	179.2	-77.6	-66.3	-167.6	-176.4	0	113.6	E156 C158 K312 S313 G318 P399	E156-K316 VanDerWaalsContact O-CE 3.25Å; E156-K316 WeakPolarHBondContact O-CE 3.32Å; E156-K316 PolarHBondContact O-NZ 2.91Å; C158-K316 WeakPolarHBondContact SG-CE 3.36Å; K312-K316 HydrophobicContact CG-CG 4.21Å; K312-K316 VanDerWaalsContact O-CB 3.28Å; K312-K316 WeakPolarHBondContact O-CB 3.4Å; K312-K316 WeakPolarHBondContact O-CG 3.49Å; K312-K316 PolarHBondContact O-N 2.9Å; S313-K316 PolarHBondContact O-N 3Å; K316-G318 PolarHBondContact O-N 3.44Å; K316-P399 HydrophobicContact CB-CB 3.87Å; K316-P399 HydrophobicContact CB-CG 4.18Å; K316-P399 HydrophobicContact CG-CB 4.11Å; K316-P399 HydrophobicContact CG-CG 4.11Å
317	S	97.5	Very high	98.1	Very high	56 Å²	56	22 Å²	22	39%	0.392	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-6	173.7	69.7	0	0	0	0	114	S313 L314 V315 L319	S313-S317 VanDerWaalsContact O-CB 3.25Å; S313-S317 WeakPolarHBondContact O-CB 3.42Å; S313-S317 PolarHBondContact O-N 3.21Å; S313-S317 PolarHBondContact O-OG 2.63Å; S313-S317 VanDerWaalsContact O-OG 3.1Å; L314-S317 PolarHBondContact O-N 3.32Å; L314-S317 PolarHBondContact O-OG 2.94Å; V315-S317 PolarHBondContact O-N 3.22Å; S317-L319 VanDerWaalsContact C-N 3.27Å; S317-L319 PolarHBondContact O-N 3.42Å; S317-L319 WeakPolarHBondContact OG-CD1 3.3Å; S317-L319 VanDerWaalsContact OG-CG 3.25Å; S317-L319 WeakPolarHBondContact OG-CG 3.48Å
318	G	96.5	Very high	98	Very high	67 Å²	67	22.6 Å²	22.6	69%	0.691	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.8	12.5	-178.9	0	0	0	0	0	114.3	V315 K316 C320	V315-G318 PolarHBondContact O-N 3.09Å; K316-G318 PolarHBondContact O-N 3.44Å; G318-C320 VanDerWaalsContact C-N 3.33Å
319	L	96.7	Very high	98	Very high	15 Å²	15	22.9 Å²	22.9	8%	0.079	13%	0.128	C	C	.	.	S	Bend	trans	-74.7	-26.4	177.9	-68.1	173.8	0	0	0	112.5	L314 S317 S347 L349 L354 I357 L402 I404 L412	L314-L319 HydrophobicContact CD2-CD1 3.87Å; L314-L319 PolarHBondContact O-N 2.91Å; S317-L319 VanDerWaalsContact C-N 3.27Å; S317-L319 PolarHBondContact O-N 3.42Å; S317-L319 WeakPolarHBondContact OG-CD1 3.3Å; S317-L319 VanDerWaalsContact OG-CG 3.25Å; S317-L319 WeakPolarHBondContact OG-CG 3.48Å; L319-S347 WeakPolarHBondContact O-CA 3.21Å; L319-S347 WeakPolarHBondContact O-CB 3.36Å; L319-S347 PolarHBondContact O-OG 2.81Å; L319-L349 HydrophobicContact CD2-CD1 3.98Å; L319-L354 HydrophobicContact CB-CD2 4.17Å; L319-I357 HydrophobicContact CD1-CD1 3.83Å; L319-I357 HydrophobicContact CD1-CG2 4.45Å; L319-L402 HydrophobicContact CD1-CD1 3.9Å; L319-I404 HydrophobicContact CD1-CD1 4.12Å; L319-L412 HydrophobicContact CD2-CD1 4Å; L319-L412 HydrophobicContact CD2-CD2 4.24Å
320	C	96.7	Very high	97.8	Very high	4 Å²	4	23.1 Å²	23.1	3%	0.027	14%	0.136	C	C	.	.			trans	-152.5	163.5	174.6	59.3	0	0	0	0	109.6	V315 G318	V315-C320 WeakPolarHBondContact CA-O 3.46Å; G318-C320 VanDerWaalsContact C-N 3.33Å
321	R	97.3	Very high	97.5	Very high	92 Å²	92	27.1 Å²	27.1	35%	0.347	16%	0.157	S	C	.	.	S	Bend	trans	-98.5	-22.8	176.9	-56.7	-176.6	62	-149.3	-13	112.5	T152 D153 A203 T346	T152-R321 CarbonylContact C-O 3.58Å; T152-R321 WeakPolarHBondContact CA-O 3.45Å; D153-R321 PolarHBondContact N-O 2.99Å; D153-R321 IonicContact OD1-NE 3.22Å; D153-R321 IonicContact OD1-NH2 3.4Å; D153-R321 PolarHBondContact OD1-NH2 3.21Å; D153-R321 IonicContact OD2-CZ 2.79Å; D153-R321 IonicContact OD2-NE 2.57Å; D153-R321 PolarHBondContact OD2-NE 2.85Å; D153-R321 IonicContact OD2-NH2 2.91Å; D153-R321 PolarHBondContact OD2-NH2 3.44Å; A203-R321 HydrophobicContact CB-CB 4.15Å; R321-T346 HydrophobicContact CB-CG2 4.17Å; R321-T346 PolarHBondContact N-OG1 3.45Å
322	R	97.6	Very high	97.2	Very high	14 Å²	14	27.9 Å²	27.9	5%	0.053	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	133.6	178.9	-169.4	-179.9	170.9	-158.4	-3.6	109	Y150 A151 G202 C204 S343 Y344 T346	Y150-R322 HydrophobicContact CE2-CG 3.8Å; Y150-R322 WeakPolarHBondContact OH-CD 3.32Å; Y150-R322 WeakPolarHBondContact OH-CG 3.43Å; Y150-R322 PolarHBondContact OH-NE 2.85Å; A151-R322 CarbonylContact O-C 3.59Å; A151-R322 WeakPolarHBondContact O-CA 3.4Å; G202-R322 WeakPolarHBondContact O-CD 3.46Å; G202-R322 PolarHBondContact O-NH1 2.99Å; C204-R322 PolarHBondContact SG-NE 3.28Å; R322-S343 CarbonylContact O-C 3.57Å; R322-S343 WeakPolarHBondContact O-CA 3.37Å; R322-Y344 HydrophobicContact CB-CD2 4.23Å; R322-Y344 HydrophobicContact CG-CD2 3.69Å; R322-Y344 HydrophobicContact CG-CE2 4.13Å; R322-Y344 HydrophobicContact CG-CG 4.34Å; R322-T346 HydrophobicContact CB-CG2 3.91Å; R322-T346 PolarHBondContact N-OG1 3.23Å; R322-T346 PolarHBondContact O-OG1 3.3Å; R322-T346 VanDerWaalsContact O-OG1 3.13Å
323	C	97.8	Very high	96.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	133.1	-177.2	-170.2	0	0	0	0	111.3	Y150 A151 A311 V315 F342	Y150-C323 CarbonylContact C-O 3.59Å; Y150-C323 VanDerWaalsContact CA-O 3.31Å; Y150-C323 WeakPolarHBondContact CA-O 3.42Å; Y150-C323 VanDerWaalsContact CD2-O 3.32Å; Y150-C323 WeakPolarHBondContact CD2-O 3.13Å; A151-C323 PolarHBondContact N-O 3.05Å; A151-C323 PolarHBondContact O-N 3.1Å; A311-C323 HydrophobicContact CB-CB 4.35Å; V315-C323 HydrophobicContact CG2-CB 4.03Å; C323-F342 CarbonylContact C-O 3.5Å; C323-F342 VanDerWaalsContact CA-O 3.3Å; C323-F342 WeakPolarHBondContact CA-O 3.4Å
324	M	98.1	Very high	96.8	Very high	20 Å²	20	31 Å²	31	10%	0.099	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	136.8	163.2	-176.4	176.5	69	0	0	109.5	F148 G149 Y150 A285 F342 Y344	F148-M324 HydrophobicContact CD1-CG 4.1Å; F148-M324 HydrophobicContact CD1-SD 3.9Å; F148-M324 HydrophobicContact CE1-CE 4.44Å; F148-M324 HydrophobicContact CE1-SD 4.29Å; G149-M324 CarbonylContact O-C 3.59Å; G149-M324 VanDerWaalsContact O-CA 3.25Å; G149-M324 WeakPolarHBondContact O-CA 3.3Å; Y150-M324 HydrophobicContact CD2-CB 4.17Å; A285-M324 HydrophobicContact CB-SD 3.68Å; M324-F342 HydrophobicContact CB-CB 4.23Å; M324-F342 HydrophobicContact CB-CD2 4.41Å; M324-F342 HydrophobicContact CE-CB 4.38Å; M324-F342 HydrophobicContact CE-CD2 3.47Å; M324-F342 VanDerWaalsContact CE-CD2 3.47Å; M324-F342 HydrophobicContact CE-CE2 3.81Å; M324-F342 HydrophobicContact CE-CG 3.93Å; M324-F342 PolarHBondContact N-O 2.99Å; M324-F342 PolarHBondContact O-N 3.15Å; M324-Y344 HydrophobicContact CB-CE2 3.72Å; M324-Y344 WeakPolarHBondContact CB-OH 3.4Å; M324-Y344 PolarHBondContact SD-OH 2.93Å
325	V	98.4	Very high	96.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	131.1	177	177.9	0	0	0	0	107.2	F148 G149 C307 I310 A311 L339 T340 I341	F148-V325 CarbonylContact C-O 3.54Å; F148-V325 WeakPolarHBondContact CA-O 3.23Å; G149-V325 PolarHBondContact N-O 2.82Å; G149-V325 PolarHBondContact O-N 3.39Å; C307-V325 HydrophobicContact CB-CB 4.13Å; C307-V325 HydrophobicContact CB-CG1 4.02Å; I310-V325 HydrophobicContact CB-CG2 4.12Å; I310-V325 HydrophobicContact CD1-CG1 4.28Å; I310-V325 HydrophobicContact CG2-CG1 4.46Å; I310-V325 HydrophobicContact CG2-CG2 3.72Å; A311-V325 HydrophobicContact CB-CG2 3.95Å; V325-L339 HydrophobicContact CG1-CD1 3.96Å; V325-T340 WeakPolarHBondContact CA-O 3.38Å; V325-I341 HydrophobicContact CB-CD1 4.25Å; V325-I341 HydrophobicContact CG1-CD1 3.83Å; V325-I341 HydrophobicContact CG2-CD1 3.82Å
326	Q	98.3	Very high	96.5	Very high	47 Å²	47	36.1 Å²	36.1	22%	0.22	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	135.6	170.6	-174.1	-176.5	27.4	0	0	109.4	M147 F148 L339 T340 F342	M147-Q326 WeakPolarHBondContact O-CA 3.14Å; F148-Q326 HydrophobicContact CD1-CB 3.78Å; F148-Q326 HydrophobicContact CD1-CG 3.91Å; F148-Q326 HydrophobicContact CE1-CB 3.64Å; F148-Q326 HydrophobicContact CE1-CG 3.48Å; F148-Q326 VanDerWaalsContact CE1-CG 3.48Å; F148-Q326 HydrophobicContact CZ-CG 3.92Å; Q326-L339 WeakPolarHBondContact O-CA 3.32Å; Q326-T340 PolarHBondContact N-O 2.89Å; Q326-T340 PolarHBondContact O-N 3.11Å; Q326-F342 HydrophobicContact CB-CE2 4.48Å
327	V	98	Very high	96.4	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.006	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	149.3	168.2	71.8	0	0	0	0	109.1	L146 M147 A303 C307 Y329 P336 S338 L364	L146-V327 CarbonylContact C-O 3.57Å; L146-V327 WeakPolarHBondContact CA-O 3.28Å; M147-V327 HydrophobicContact CB-CG1 3.91Å; M147-V327 PolarHBondContact N-O 2.87Å; M147-V327 PolarHBondContact O-N 3.48Å; M147-V327 HydrophobicContact SD-CG1 4.32Å; A303-V327 HydrophobicContact CB-CG1 3.93Å; C307-V327 WeakPolarHBondContact SG-CG1 3.22Å; V327-Y329 HydrophobicContact CB-CE2 4.35Å; V327-Y329 HydrophobicContact CG1-CE2 3.77Å; V327-Y329 HydrophobicContact CG2-CD2 4.5Å; V327-Y329 HydrophobicContact CG2-CE2 3.65Å; V327-P336 HydrophobicContact CG2-CB 3.66Å; V327-P336 HydrophobicContact CG2-CG 3.9Å; V327-S338 WeakPolarHBondContact CA-O 3.39Å; V327-S338 WeakPolarHBondContact CG2-O 3.29Å; V327-L364 HydrophobicContact CG2-CD1 4.2Å
328	A	98	Very high	96.3	Very high	13 Å²	13	32.4 Å²	32.4	11%	0.107	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	153.3	172	0	0	0	0	0	111.6	G145 L146 P336 V337 S338	G145-A328 CarbonylContact O-C 3.55Å; G145-A328 WeakPolarHBondContact O-CA 3.48Å; G145-A328 WeakPolarHBondContact O-CB 3.35Å; L146-A328 HydrophobicContact CB-CB 4.22Å; A328-P336 CarbonylContact O-C 3.57Å; A328-P336 VanDerWaalsContact O-CA 3.3Å; A328-P336 WeakPolarHBondContact O-CA 3.45Å; A328-P336 WeakPolarHBondContact O-CB 3.43Å; A328-V337 HydrophobicContact CB-CG2 3.73Å; A328-V337 WeakPolarHBondContact O-CG2 3.27Å; A328-V337 PolarHBondContact O-N 2.97Å; A328-S338 WeakPolarHBondContact CB-OG 3.34Å; A328-S338 PolarHBondContact N-O 2.83Å
329	Y	97.4	Very high	96.3	Very high	7 Å²	7	29.3 Å²	29.3	3%	0.027	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	153.9	178.7	-61.3	-94.6	0	0	0	111.5	A141 Q144 G145 M147 V299 A303 V327 P336 L364 P366	A141-Y329 HydrophobicContact CB-CD1 4.03Å; A141-Y329 HydrophobicContact CB-CG 3.94Å; Q144-Y329 WeakPolarHBondContact CA-O 3.41Å; G145-Y329 PolarHBondContact N-O 3.48Å; G145-Y329 VanDerWaalsContact N-O 3.08Å; G145-Y329 PolarHBondContact O-N 3.41Å; M147-Y329 HydrophobicContact SD-CD2 3.97Å; M147-Y329 HydrophobicContact SD-CE2 4.22Å; V299-Y329 HydrophobicContact CB-CD2 3.94Å; V299-Y329 HydrophobicContact CB-CE2 4.23Å; V299-Y329 HydrophobicContact CB-CG 4.4Å; V299-Y329 HydrophobicContact CG1-CD1 4.42Å; V299-Y329 HydrophobicContact CG1-CD2 4.11Å; V299-Y329 HydrophobicContact CG1-CE2 4.29Å; V299-Y329 HydrophobicContact CG1-CG 4.19Å; V299-Y329 HydrophobicContact CG2-CD2 4.05Å; V299-Y329 HydrophobicContact CG2-CG 4.32Å; A303-Y329 HydrophobicContact CB-CD2 4.37Å; A303-Y329 HydrophobicContact CB-CE2 3.46Å; A303-Y329 VanDerWaalsContact CB-CE2 3.46Å; V327-Y329 HydrophobicContact CB-CE2 4.35Å; V327-Y329 HydrophobicContact CG1-CE2 3.77Å; V327-Y329 HydrophobicContact CG2-CD2 4.5Å; V327-Y329 HydrophobicContact CG2-CE2 3.65Å; Y329-P336 HydrophobicContact CD1-CB 4.41Å; Y329-P336 HydrophobicContact CD1-CG 4.5Å; Y329-P336 HydrophobicContact CE1-CB 4.01Å; Y329-P336 HydrophobicContact CE1-CG 3.68Å; Y329-L364 PolarHBondContact OH-O 3.13Å; Y329-P366 HydrophobicContact CE1-CG 4.4Å
330	A	95	Very high	96.3	Very high	36 Å²	36	29.8 Å²	29.8	30%	0.298	17%	0.165	S	C	.	.			trans	-102.3	143.2	161.1	0	0	0	0	0	109	G332 V333 V337	A330-G332 PolarHBondContact O-N 2.99Å; A330-V333 HydrophobicContact CB-CB 4.42Å; A330-V333 HydrophobicContact CB-CG2 4.01Å; A330-V333 WeakPolarHBondContact O-CB 3.03Å; A330-V333 PolarHBondContact O-N 2.74Å; A330-V337 HydrophobicContact CB-CG1 4.03Å
331	I	93	Very high	96.3	Very high	84 Å²	84	29.6 Å²	29.6	43%	0.431	16%	0.164	S	C	.	.	B	Isolated β-bridge	trans	-55	136.5	-179.7	-168.7	170.2	0	0	0	111.6	V333	I331-V333 PolarHBondContact O-N 2.8Å; I331-V333 VanDerWaalsContact O-N 3.17Å
332	G	91.8	Very high	96.2	Very high	17 Å²	17	26.9 Å²	26.9	18%	0.175	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	-4.7	178.4	0	0	0	0	0	115.8	G129 R134 A141 A330	G129-G332 WeakPolarHBondContact O-CA 3.48Å; R134-G332 PolarHBondContact NH1-O 3.01Å; A141-G332 PolarHBondContact O-N 2.87Å; A330-G332 PolarHBondContact O-N 2.99Å
333	V	94	Very high	96	Very high	52 Å²	52	26.2 Å²	26.2	32%	0.315	15%	0.152	S	C	.	.			trans	-95.1	129.3	174.7	-173.5	0	0	0	0	109.2	A141 A330 I331 E335	A141-V333 PolarHBondContact N-O 3.15Å; A330-V333 HydrophobicContact CB-CB 4.42Å; A330-V333 HydrophobicContact CB-CG2 4.01Å; A330-V333 WeakPolarHBondContact O-CB 3.03Å; A330-V333 PolarHBondContact O-N 2.74Å; I331-V333 PolarHBondContact O-N 2.8Å; I331-V333 VanDerWaalsContact O-N 3.17Å; V333-E335 WeakPolarHBondContact CG1-O 3.31Å
334	A	95.4	Very high	95.8	Very high	17 Å²	17	27.2 Å²	27.2	14%	0.14	16%	0.156	C	C	.	.	S	Bend	trans	-78.5	-43.2	-178.7	0	0	0	0	0	111.7	I139 R365 P366	I139-A334 WeakPolarHBondContact O-CB 3.35Å; A334-R365 HydrophobicContact CB-CB 4.47Å; A334-R365 HydrophobicContact CB-CG 4.3Å; A334-R365 WeakPolarHBondContact O-CA 3.44Å; A334-P366 WeakPolarHBondContact O-CD 3.2Å
335	E	95.4	Very high	95.5	Very high	108 Å²	108	27.5 Å²	27.5	51%	0.505	16%	0.164	S	C	.	.	S	Bend	trans	-72.8	138.6	178.1	-65.4	177	174.8	0	0	110.2	V333 R365	V333-E335 WeakPolarHBondContact CG1-O 3.31Å; E335-R365 HydrophobicContact CG-CG 4.42Å
336	P	96	Very high	95.3	Very high	11 Å²	11	28.3 Å²	28.3	7%	0.071	17%	0.169	C	C	.	.			trans	-54.6	153	169.2	-20.6	30	0	0	0	111	Y8 V327 A328 Y329 L364	Y8-P336 HydrophobicContact CD2-CB 4.24Å; Y8-P336 WeakPolarHBondContact CD2-O 3.28Å; Y8-P336 HydrophobicContact CE2-CB 3.99Å; Y8-P336 HydrophobicContact CE2-CG 4.5Å; V327-P336 HydrophobicContact CG2-CB 3.66Å; V327-P336 HydrophobicContact CG2-CG 3.9Å; A328-P336 CarbonylContact O-C 3.57Å; A328-P336 VanDerWaalsContact O-CA 3.3Å; A328-P336 WeakPolarHBondContact O-CA 3.45Å; A328-P336 WeakPolarHBondContact O-CB 3.43Å; Y329-P336 HydrophobicContact CD1-CB 4.41Å; Y329-P336 HydrophobicContact CD1-CG 4.5Å; Y329-P336 HydrophobicContact CE1-CB 4.01Å; Y329-P336 HydrophobicContact CE1-CG 3.68Å; P336-L364 HydrophobicContact CG-CB 3.75Å
337	V	95.3	Very high	95	Very high	45 Å²	45	26.8 Å²	26.8	27%	0.273	16%	0.164	S	C	.	.	S	Bend	trans	-86	-27	169.3	-61.4	0	0	0	0	111.5	V9 A328 A330	V9-V337 PolarHBondContact N-O 3.32Å; A328-V337 HydrophobicContact CB-CG2 3.73Å; A328-V337 WeakPolarHBondContact O-CG2 3.27Å; A328-V337 PolarHBondContact O-N 2.97Å; A330-V337 HydrophobicContact CB-CG1 4.03Å
338	S	95.4	Very high	94.6	Very high	30 Å²	30	31.7 Å²	31.7	21%	0.21	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	153.6	173.5	67.7	0	0	0	0	112.8	V9 V327 A328	V9-S338 WeakPolarHBondContact O-CA 3.33Å; V327-S338 WeakPolarHBondContact CA-O 3.39Å; V327-S338 WeakPolarHBondContact CG2-O 3.29Å; A328-S338 WeakPolarHBondContact CB-OG 3.34Å; A328-S338 PolarHBondContact N-O 2.83Å
339	L	96.8	Very high	94.4	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.016	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	123.8	170.2	173.9	63.5	0	0	0	108.7	Y8 V325 Q326 I341 L355 V358 L364	Y8-L339 HydrophobicContact CE2-CB 4.04Å; Y8-L339 WeakPolarHBondContact OH-CB 3.42Å; Y8-L339 WeakPolarHBondContact OH-CD2 3.46Å; V325-L339 HydrophobicContact CG1-CD1 3.96Å; Q326-L339 WeakPolarHBondContact O-CA 3.32Å; L339-I341 HydrophobicContact CD1-CD1 4.2Å; L339-L355 HydrophobicContact CB-CD1 4.46Å; L339-L355 HydrophobicContact CD2-CD1 3.65Å; L339-L355 HydrophobicContact CG-CD1 3.78Å; L339-V358 HydrophobicContact CD2-CG1 3.95Å; L339-L364 HydrophobicContact CD1-CD1 3.83Å; L339-L364 HydrophobicContact CD2-CD1 3.98Å; L339-L364 HydrophobicContact CG-CD1 4.44Å
340	T	96.1	Very high	94.1	Very high	24 Å²	24	32.2 Å²	32.2	15%	0.147	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	140.4	-175	-55.5	0	0	0	0	109.6	N12 V325 Q326 F342	N12-T340 WeakPolarHBondContact OD1-CA 3.45Å; N12-T340 WeakPolarHBondContact OD1-CG2 3.36Å; V325-T340 WeakPolarHBondContact CA-O 3.38Å; Q326-T340 PolarHBondContact N-O 2.89Å; Q326-T340 PolarHBondContact O-N 3.11Å; T340-F342 HydrophobicContact CG2-CD2 4.18Å; T340-F342 HydrophobicContact CG2-CE1 4.04Å; T340-F342 HydrophobicContact CG2-CE2 3.38Å; T340-F342 HydrophobicContact CG2-CZ 3.31Å
341	I	96.4	Very high	93.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	128.1	-175.2	-48	-64.5	0	0	0	107.9	N12 L314 V325 L339 E351 L354 L355 V358	N12-I341 WeakPolarHBondContact ND2-CB 3.48Å; N12-I341 PolarHBondContact ND2-N 3.06Å; N12-I341 VanDerWaalsContact ND2-N 3.12Å; N12-I341 PolarHBondContact ND2-O 2.96Å; N12-I341 PolarHBondContact OD1-N 3.39Å; L314-I341 HydrophobicContact CD1-CG2 4.13Å; V325-I341 HydrophobicContact CB-CD1 4.25Å; V325-I341 HydrophobicContact CG1-CD1 3.83Å; V325-I341 HydrophobicContact CG2-CD1 3.82Å; L339-I341 HydrophobicContact CD1-CD1 4.2Å; I341-E351 WeakPolarHBondContact O-CG 3.38Å; I341-L354 HydrophobicContact CG2-CB 4.16Å; I341-L354 HydrophobicContact CG2-CD1 4.3Å; I341-L355 HydrophobicContact CG1-CB 4.43Å; I341-L355 HydrophobicContact CG1-CD1 4.28Å; I341-V358 HydrophobicContact CD1-CG2 3.96Å; I341-V358 HydrophobicContact CG1-CG2 4.37Å
342	F	95.4	Very high	93.9	Very high	35 Å²	35	29.5 Å²	29.5	15%	0.154	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	116.1	178.3	-57	-90.2	0	0	0	108.8	Y15 C323 M324 Q326 T340 Y344	Y15-F342 HydrophobicContact CD1-CD1 4.02Å; Y15-F342 AromaticContact CD2-CD1 3.95Å; Y15-F342 HydrophobicContact CD2-CD1 3.95Å; Y15-F342 HydrophobicContact CD2-CE1 4.05Å; Y15-F342 AromaticContact CE1-CD1 3.95Å; Y15-F342 HydrophobicContact CE1-CD1 3.95Å; Y15-F342 AromaticContact CE2-CD1 3.88Å; Y15-F342 HydrophobicContact CE2-CD1 3.88Å; Y15-F342 AromaticContact CE2-CE1 3.99Å; Y15-F342 HydrophobicContact CE2-CE1 3.99Å; Y15-F342 HydrophobicContact CG-CD1 4.02Å; Y15-F342 AromaticContact CZ-CD1 3.88Å; C323-F342 CarbonylContact C-O 3.5Å; C323-F342 VanDerWaalsContact CA-O 3.3Å; C323-F342 WeakPolarHBondContact CA-O 3.4Å; M324-F342 HydrophobicContact CB-CB 4.23Å; M324-F342 HydrophobicContact CB-CD2 4.41Å; M324-F342 HydrophobicContact CE-CB 4.38Å; M324-F342 HydrophobicContact CE-CD2 3.47Å; M324-F342 VanDerWaalsContact CE-CD2 3.47Å; M324-F342 HydrophobicContact CE-CE2 3.81Å; M324-F342 HydrophobicContact CE-CG 3.93Å; M324-F342 PolarHBondContact N-O 2.99Å; M324-F342 PolarHBondContact O-N 3.15Å; Q326-F342 HydrophobicContact CB-CE2 4.48Å; T340-F342 HydrophobicContact CG2-CD2 4.18Å; T340-F342 HydrophobicContact CG2-CE1 4.04Å; T340-F342 HydrophobicContact CG2-CE2 3.38Å; T340-F342 HydrophobicContact CG2-CZ 3.31Å; F342-Y344 HydrophobicContact CB-CE2 4.41Å
343	S	94.7	Very high	94.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.174	C	C	.	.			trans	-90.2	-6.8	177.4	76.6	0	0	0	0	113.4	R322 G345 T346 E351	R322-S343 CarbonylContact O-C 3.57Å; R322-S343 WeakPolarHBondContact O-CA 3.37Å; S343-G345 PolarHBondContact O-N 2.92Å; S343-G345 VanDerWaalsContact O-N 3.16Å; S343-G345 PolarHBondContact OG-N 3.24Å; S343-T346 WeakPolarHBondContact O-CB 3.29Å; S343-T346 PolarHBondContact O-N 3.11Å; S343-T346 PolarHBondContact O-OG1 3.37Å; S343-E351 PolarHBondContact OG-OE1 3.21Å
344	Y	92.9	Very high	94.2	Very high	21 Å²	21	27.3 Å²	27.3	8%	0.082	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	30.3	-171	-59	-88.3	0	0	0	113.1	Y150 G202 R322 M324 F342 T346	Y150-Y344 HydrophobicContact CE2-CE2 4.05Å; G202-Y344 WeakPolarHBondContact CA-O 3.42Å; R322-Y344 HydrophobicContact CB-CD2 4.23Å; R322-Y344 HydrophobicContact CG-CD2 3.69Å; R322-Y344 HydrophobicContact CG-CE2 4.13Å; R322-Y344 HydrophobicContact CG-CG 4.34Å; M324-Y344 HydrophobicContact CB-CE2 3.72Å; M324-Y344 WeakPolarHBondContact CB-OH 3.4Å; M324-Y344 PolarHBondContact SD-OH 2.93Å; F342-Y344 HydrophobicContact CB-CE2 4.41Å; Y344-T346 PolarHBondContact O-N 3.49Å
345	G	90.9	Very high	94.2	Very high	26 Å²	26	26.5 Å²	26.5	27%	0.268	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	5.6	-176.5	0	0	0	0	0	114.7	S343 S347	S343-G345 PolarHBondContact O-N 2.92Å; S343-G345 VanDerWaalsContact O-N 3.16Å; S343-G345 PolarHBondContact OG-N 3.24Å; G345-S347 VanDerWaalsContact C-N 3.26Å; G345-S347 PolarHBondContact O-N 3.26Å
346	T	94.3	Very high	94.2	Very high	18 Å²	18	24.9 Å²	24.9	11%	0.11	14%	0.144	C	C	.	.			trans	-84.6	1.9	-178.2	68.2	0	0	0	0	114.1	C201 G202 A203 R321 R322 S343 Y344	C201-T346 VanDerWaalsContact O-CG2 3.31Å; C201-T346 WeakPolarHBondContact O-CG2 3.21Å; G202-T346 VanDerWaalsContact C-CG2 3.48Å; A203-T346 HydrophobicContact CB-CG2 4.06Å; R321-T346 HydrophobicContact CB-CG2 4.17Å; R321-T346 PolarHBondContact N-OG1 3.45Å; R322-T346 HydrophobicContact CB-CG2 3.91Å; R322-T346 PolarHBondContact N-OG1 3.23Å; R322-T346 PolarHBondContact O-OG1 3.3Å; R322-T346 VanDerWaalsContact O-OG1 3.13Å; S343-T346 WeakPolarHBondContact O-CB 3.29Å; S343-T346 PolarHBondContact O-N 3.11Å; S343-T346 PolarHBondContact O-OG1 3.37Å; Y344-T346 PolarHBondContact O-N 3.49Å
347	S	93.6	Very high	94.3	Very high	15 Å²	15	24.3 Å²	24.3	11%	0.105	14%	0.141	C	C	.	.			trans	-107.4	140.3	-178.9	172.2	0	0	0	0	109.8	L319 G345 L349	L319-S347 WeakPolarHBondContact O-CA 3.21Å; L319-S347 WeakPolarHBondContact O-CB 3.36Å; L319-S347 PolarHBondContact O-OG 2.81Å; G345-S347 VanDerWaalsContact C-N 3.26Å; G345-S347 PolarHBondContact O-N 3.26Å; S347-L349 WeakPolarHBondContact CB-O 3.35Å; S347-L349 WeakPolarHBondContact OG-CA 3.47Å; S347-L349 WeakPolarHBondContact OG-CB 3.24Å; S347-L349 PolarHBondContact OG-N 3.49Å; S347-L349 PolarHBondContact OG-O 2.92Å
348	I	89.7	Confident	94.4	Very high	104 Å²	104	22.2 Å²	22.2	53%	0.533	13%	0.128	S	C	.	.	S	Bend	trans	-75.2	-18.2	167.1	61.6	165.7	0	0	0	112.2	L412 V415	I348-L412 HydrophobicContact CD1-CD2 3.69Å; I348-L412 HydrophobicContact CG1-CD2 4.12Å; I348-V415 HydrophobicContact CB-CG1 4.46Å; I348-V415 HydrophobicContact CD1-CB 4.02Å; I348-V415 HydrophobicContact CD1-CG1 3.84Å; I348-V415 HydrophobicContact CD1-CG2 4.44Å; I348-V415 HydrophobicContact CG2-CG1 4.48Å
349	L	92.3	Very high	94.4	Very high	3 Å²	3	24.7 Å²	24.7	2%	0.016	14%	0.135	C	C	.	.	S	Bend	trans	-90.2	147.1	174.3	-62.4	179.5	0	0	0	110.5	L319 S347 D353 L354 I357 V408 I411 L412	L319-L349 HydrophobicContact CD2-CD1 3.98Å; S347-L349 WeakPolarHBondContact CB-O 3.35Å; S347-L349 WeakPolarHBondContact OG-CA 3.47Å; S347-L349 WeakPolarHBondContact OG-CB 3.24Å; S347-L349 PolarHBondContact OG-N 3.49Å; S347-L349 PolarHBondContact OG-O 2.92Å; L349-D353 HydrophobicContact CB-CB 4.07Å; L349-D353 HydrophobicContact CD1-CB 4.49Å; L349-D353 HydrophobicContact CD2-CB 4.47Å; L349-L354 HydrophobicContact CB-CD2 4.3Å; L349-L354 HydrophobicContact CB-CG 4.35Å; L349-L354 HydrophobicContact CD1-CD2 4.14Å; L349-I357 HydrophobicContact CD1-CD1 3.85Å; L349-V408 HydrophobicContact CD1-CG1 3.46Å; L349-V408 VanDerWaalsContact CD1-CG1 3.46Å; L349-V408 HydrophobicContact CD2-CG1 3.81Å; L349-V408 HydrophobicContact CG-CG1 4.26Å; L349-I411 HydrophobicContact CD2-CB 4.11Å; L349-I411 HydrophobicContact CD2-CG2 3.78Å; L349-L412 HydrophobicContact CD1-CD2 3.91Å; L349-L412 HydrophobicContact CD1-CG 4.29Å; L349-L412 HydrophobicContact CD2-CD2 3.72Å; L349-L412 HydrophobicContact CD2-CG 4.01Å; L349-L412 HydrophobicContact CG-CD2 3.78Å; L349-L412 HydrophobicContact CG-CG 4.43Å
350	G	91.2	Very high	94.4	Very high	28 Å²	28	27.5 Å²	27.5	29%	0.289	16%	0.159	S	C	.	.			trans	-69	158.1	169.9	0	0	0	0	0	112.1	Q352 D353 L354	G350-Q352 PolarHBondContact O-N 3.48Å; G350-Q352 VanDerWaalsContact O-N 3.17Å; G350-D353 WeakPolarHBondContact O-CB 3.47Å; G350-D353 PolarHBondContact O-N 3.08Å; G350-L354 PolarHBondContact O-N 2.91Å; G350-L354 VanDerWaalsContact O-N 3.1Å
351	E	92	Very high	94.5	Very high	3 Å²	3	27 Å²	27	1%	0.014	16%	0.155	C	C	.	.	H	α-helix	trans	-58.4	-28.8	178.6	-75.3	68.4	-155.5	0	0	113.3	N12 S16 I341 S343 L355	N12-E351 HydrophobicContact CB-CB 3.83Å; N12-E351 PolarHBondContact ND2-O 3.17Å; N12-E351 VanDerWaalsContact ND2-O 3.13Å; S16-E351 WeakPolarHBondContact CB-OE1 3.46Å; S16-E351 WeakPolarHBondContact CB-OE2 3.4Å; S16-E351 PolarHBondContact N-OE2 2.66Å; S16-E351 PolarHBondContact OG-OE1 2.8Å; S16-E351 PolarHBondContact OG-OE2 2.95Å; I341-E351 WeakPolarHBondContact O-CG 3.38Å; S343-E351 PolarHBondContact OG-OE1 3.21Å; E351-L355 VanDerWaalsContact O-CB 3.32Å; E351-L355 WeakPolarHBondContact O-CB 3.35Å; E351-L355 PolarHBondContact O-N 2.63Å
352	Q	92.9	Very high	94.6	Very high	60 Å²	60	27.7 Å²	27.7	28%	0.28	16%	0.158	S	C	.	.	H	α-helix	trans	-68.2	-40.2	173.6	-173.1	59.8	37	0	0	112	G350 L355 E356	G350-Q352 PolarHBondContact O-N 3.48Å; G350-Q352 VanDerWaalsContact O-N 3.17Å; Q352-L355 WeakPolarHBondContact O-CB 3.39Å; Q352-L355 PolarHBondContact O-N 2.97Å; Q352-E356 PolarHBondContact NE2-OE1 3.38Å; Q352-E356 WeakPolarHBondContact O-CG 3.33Å; Q352-E356 PolarHBondContact O-N 3.13Å
353	D	94.8	Very high	94.7	Very high	23 Å²	23	28.7 Å²	28.7	12%	0.123	17%	0.165	C	C	.	.	H	α-helix	trans	-67.9	-40.1	177.4	-66.1	-47.7	0	0	0	110.9	L349 G350 L355 E356 I357 V408	L349-D353 HydrophobicContact CB-CB 4.07Å; L349-D353 HydrophobicContact CD1-CB 4.49Å; L349-D353 HydrophobicContact CD2-CB 4.47Å; G350-D353 WeakPolarHBondContact O-CB 3.47Å; G350-D353 PolarHBondContact O-N 3.08Å; D353-L355 VanDerWaalsContact C-N 3.33Å; D353-E356 PolarHBondContact O-N 3Å; D353-I357 WeakPolarHBondContact O-CG1 3.15Å; D353-I357 PolarHBondContact O-N 3.02Å; D353-I357 VanDerWaalsContact O-N 3.07Å; D353-V408 HydrophobicContact CB-CG1 3.99Å; D353-V408 HydrophobicContact CB-CG2 3.92Å
354	L	96.4	Very high	94.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-61	-42.5	172	-65.4	176.8	0	0	0	111.3	L314 L319 I341 L349 G350 E356 I357 V358	L314-L354 HydrophobicContact CD2-CD2 4.34Å; L319-L354 HydrophobicContact CB-CD2 4.17Å; I341-L354 HydrophobicContact CG2-CB 4.16Å; I341-L354 HydrophobicContact CG2-CD1 4.3Å; L349-L354 HydrophobicContact CB-CD2 4.3Å; L349-L354 HydrophobicContact CB-CG 4.35Å; L349-L354 HydrophobicContact CD1-CD2 4.14Å; G350-L354 PolarHBondContact O-N 2.91Å; G350-L354 VanDerWaalsContact O-N 3.1Å; L354-E356 VanDerWaalsContact C-N 3.35Å; L354-E356 PolarHBondContact O-N 2.7Å; L354-I357 WeakPolarHBondContact O-CB 3.16Å; L354-I357 PolarHBondContact O-N 3.09Å; L354-V358 WeakPolarHBondContact O-CG2 3.43Å; L354-V358 PolarHBondContact O-N 3.04Å
355	L	96.2	Very high	95.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61.1	-41.3	176.5	179	61.5	0	0	0	112.3	A10 N12 L339 I341 E351 Q352 D353 V358 K359	A10-L355 HydrophobicContact CB-CD2 4.08Å; N12-L355 HydrophobicContact CB-CD2 4.14Å; L339-L355 HydrophobicContact CB-CD1 4.46Å; L339-L355 HydrophobicContact CD2-CD1 3.65Å; L339-L355 HydrophobicContact CG-CD1 3.78Å; I341-L355 HydrophobicContact CG1-CB 4.43Å; I341-L355 HydrophobicContact CG1-CD1 4.28Å; E351-L355 VanDerWaalsContact O-CB 3.32Å; E351-L355 WeakPolarHBondContact O-CB 3.35Å; E351-L355 PolarHBondContact O-N 2.63Å; Q352-L355 WeakPolarHBondContact O-CB 3.39Å; Q352-L355 PolarHBondContact O-N 2.97Å; D353-L355 VanDerWaalsContact C-N 3.33Å; L355-V358 PolarHBondContact O-N 2.95Å; L355-K359 HydrophobicContact CD1-CG 4.43Å; L355-K359 HydrophobicContact CG-CD 4.4Å; L355-K359 WeakPolarHBondContact O-CG 3.49Å; L355-K359 PolarHBondContact O-N 3.49Å
356	E	95.4	Very high	95.4	Very high	73 Å²	73	29.5 Å²	29.5	34%	0.341	16%	0.161	S	C	.	.	H	α-helix	trans	-64.5	-38.9	175.5	-68.6	-56.4	127.8	0	0	112	Q352 D353 L354 V358 K359 A360	Q352-E356 PolarHBondContact NE2-OE1 3.38Å; Q352-E356 WeakPolarHBondContact O-CG 3.33Å; Q352-E356 PolarHBondContact O-N 3.13Å; D353-E356 PolarHBondContact O-N 3Å; L354-E356 VanDerWaalsContact C-N 3.35Å; L354-E356 PolarHBondContact O-N 2.7Å; E356-V358 VanDerWaalsContact C-N 3.35Å; E356-K359 PolarHBondContact O-N 3.16Å; E356-K359 IonicContact OE1-NZ 3.8Å; E356-A360 WeakPolarHBondContact O-CB 3.31Å; E356-A360 PolarHBondContact O-N 2.9Å
357	I	97.6	Very high	95.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-60.7	-46.1	171.8	-67.4	163.8	0	0	0	110.1	L314 L319 L349 D353 L354 A360 N361 L402 I404 P405 V408	L314-I357 HydrophobicContact CD2-CG2 4.4Å; L319-I357 HydrophobicContact CD1-CD1 3.83Å; L319-I357 HydrophobicContact CD1-CG2 4.45Å; L349-I357 HydrophobicContact CD1-CD1 3.85Å; D353-I357 WeakPolarHBondContact O-CG1 3.15Å; D353-I357 PolarHBondContact O-N 3.02Å; D353-I357 VanDerWaalsContact O-N 3.07Å; L354-I357 WeakPolarHBondContact O-CB 3.16Å; L354-I357 PolarHBondContact O-N 3.09Å; I357-A360 PolarHBondContact O-N 3.3Å; I357-N361 PolarHBondContact O-N 3.16Å; I357-N361 PolarHBondContact O-ND2 2.98Å; I357-L402 HydrophobicContact CG2-CB 4.2Å; I357-L402 HydrophobicContact CG2-CD1 4.04Å; I357-I404 HydrophobicContact CD1-CD1 3.91Å; I357-I404 HydrophobicContact CD1-CG2 4.41Å; I357-I404 HydrophobicContact CG1-CD1 4.14Å; I357-I404 HydrophobicContact CG1-CG2 4.48Å; I357-I404 HydrophobicContact CG2-CD1 4.1Å; I357-P405 HydrophobicContact CG1-CG 4.48Å; I357-V408 HydrophobicContact CD1-CG1 3.8Å; I357-V408 HydrophobicContact CG1-CG1 4.31Å
358	V	97.9	Very high	95.7	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.006	15%	0.153	C	C	.	.	H	α-helix	trans	-61.5	-48.3	179.8	174.2	0	0	0	0	111	I310 L314 L339 I341 L354 L355 E356 A360 N361 F362	I310-V358 HydrophobicContact CD1-CG1 3.81Å; I310-V358 HydrophobicContact CG1-CG1 4.25Å; I310-V358 HydrophobicContact CG2-CB 4.42Å; I310-V358 HydrophobicContact CG2-CG1 3.96Å; I310-V358 HydrophobicContact CG2-CG2 3.52Å; L314-V358 HydrophobicContact CD1-CG2 4Å; L314-V358 HydrophobicContact CD2-CG2 4.43Å; L339-V358 HydrophobicContact CD2-CG1 3.95Å; I341-V358 HydrophobicContact CD1-CG2 3.96Å; I341-V358 HydrophobicContact CG1-CG2 4.37Å; L354-V358 WeakPolarHBondContact O-CG2 3.43Å; L354-V358 PolarHBondContact O-N 3.04Å; L355-V358 PolarHBondContact O-N 2.95Å; E356-V358 VanDerWaalsContact C-N 3.35Å; V358-A360 VanDerWaalsContact C-N 3.28Å; V358-A360 PolarHBondContact O-N 2.82Å; V358-N361 PolarHBondContact O-N 3.36Å; V358-F362 HydrophobicContact CB-CD2 4.41Å; V358-F362 HydrophobicContact CG1-CB 4.44Å; V358-F362 HydrophobicContact CG1-CD2 3.96Å; V358-F362 WeakPolarHBondContact O-CD2 3.31Å; V358-F362 PolarHBondContact O-N 2.89Å
359	K	95.7	Very high	96.1	Very high	82 Å²	82	23.7 Å²	23.7	36%	0.357	13%	0.129	S	C	.	.	H	α-helix	trans	-60.6	-35	178.4	-73.4	177.3	-179.8	173.8	0	113.3	L355 E356 N361	L355-K359 HydrophobicContact CD1-CG 4.43Å; L355-K359 HydrophobicContact CG-CD 4.4Å; L355-K359 WeakPolarHBondContact O-CG 3.49Å; L355-K359 PolarHBondContact O-N 3.49Å; E356-K359 PolarHBondContact O-N 3.16Å; E356-K359 IonicContact OE1-NZ 3.8Å; K359-N361 PolarHBondContact O-N 3.48Å
360	A	96.8	Very high	96.4	Very high	61 Å²	61	23.8 Å²	23.8	50%	0.504	13%	0.129	S	C	.	.	H	α-helix	trans	-70.9	-19.1	177.6	0	0	0	0	0	113.4	E356 I357 V358 P405	E356-A360 WeakPolarHBondContact O-CB 3.31Å; E356-A360 PolarHBondContact O-N 2.9Å; I357-A360 PolarHBondContact O-N 3.3Å; V358-A360 VanDerWaalsContact C-N 3.28Å; V358-A360 PolarHBondContact O-N 2.82Å; A360-P405 HydrophobicContact CB-CG 4.07Å
361	N	98.3	Very high	96.7	Very high	14 Å²	14	28.8 Å²	28.8	8%	0.075	14%	0.14	C	C	.	.	H	α-helix	trans	-117.4	-25.5	-170.2	-74.1	-81.5	0	0	0	114.3	I357 V358 K359 K400 L402 V403	I357-N361 PolarHBondContact O-N 3.16Å; I357-N361 PolarHBondContact O-ND2 2.98Å; V358-N361 PolarHBondContact O-N 3.36Å; K359-N361 PolarHBondContact O-N 3.48Å; N361-K400 PolarHBondContact O-NZ 3.24Å; N361-L402 HydrophobicContact CB-CD2 4.05Å; N361-V403 PolarHBondContact ND2-N 3.02Å; N361-V403 PolarHBondContact ND2-O 3.03Å; N361-V403 PolarHBondContact OD1-N 2.68Å
362	F	98.3	Very high	97	Very high	14 Å²	14	31.8 Å²	31.8	6%	0.061	16%	0.161	C	C	.	.			trans	-125.8	119.7	-170.5	-58	-86.2	0	0	0	111.2	W309 I310 V358 L364 K400 L402	W309-F362 HydrophobicContact CD2-CD1 4.15Å; W309-F362 AromaticContact CD2-CE1 3.66Å; W309-F362 HydrophobicContact CD2-CE1 3.66Å; W309-F362 AromaticContact CE2-CE1 3.92Å; W309-F362 AromaticContact CE3-CD1 3.57Å; W309-F362 HydrophobicContact CE3-CD1 3.57Å; W309-F362 AromaticContact CE3-CE1 3.59Å; W309-F362 HydrophobicContact CE3-CE1 3.59Å; W309-F362 HydrophobicContact CG-CE1 4.33Å; W309-F362 HydrophobicContact CH2-CD1 4.14Å; W309-F362 HydrophobicContact CH2-CE1 4.07Å; W309-F362 HydrophobicContact CZ2-CE1 4.13Å; W309-F362 AromaticContact CZ3-CD1 3.57Å; W309-F362 HydrophobicContact CZ3-CD1 3.57Å; W309-F362 AromaticContact CZ3-CE1 3.81Å; W309-F362 HydrophobicContact CZ3-CE1 3.81Å; I310-F362 HydrophobicContact CD1-CB 4.22Å; I310-F362 HydrophobicContact CD1-CD2 4.45Å; I310-F362 HydrophobicContact CD1-CG 4.19Å; I310-F362 HydrophobicContact CG1-CB 4.22Å; I310-F362 HydrophobicContact CG1-CD1 3.76Å; I310-F362 HydrophobicContact CG1-CD2 3.75Å; I310-F362 HydrophobicContact CG1-CE1 3.99Å; I310-F362 HydrophobicContact CG1-CE2 3.97Å; I310-F362 HydrophobicContact CG1-CG 3.63Å; I310-F362 HydrophobicContact CG1-CZ 4.09Å; I310-F362 HydrophobicContact CG2-CE2 4.39Å; V358-F362 HydrophobicContact CB-CD2 4.41Å; V358-F362 HydrophobicContact CG1-CB 4.44Å; V358-F362 HydrophobicContact CG1-CD2 3.96Å; V358-F362 WeakPolarHBondContact O-CD2 3.31Å; V358-F362 PolarHBondContact O-N 2.89Å; F362-L364 HydrophobicContact CB-CD2 4.27Å; F362-K400 HydrophobicContact CD1-CD 4.4Å; F362-K400 HydrophobicContact CE1-CB 4.13Å; F362-K400 HydrophobicContact CE1-CD 3.83Å; F362-K400 HydrophobicContact CZ-CB 4.04Å; F362-K400 HydrophobicContact CZ-CD 4.08Å; F362-L402 HydrophobicContact CE2-CD2 3.54Å; F362-L402 HydrophobicContact CZ-CD2 3.68Å
363	D	97.5	Very high	97.2	Very high	57 Å²	57	29.1 Å²	29.1	31%	0.305	15%	0.148	S	C	.	.			trans	-91.8	111.3	168.3	-168.3	-31.8	0	0	0	108.8	R365 M368	D363-R365 WeakPolarHBondContact OD1-CB 3.31Å; D363-R365 WeakPolarHBondContact OD1-CG 3.41Å; D363-R365 IonicContact OD1-CZ 3.43Å; D363-R365 PolarHBondContact OD1-N 2.99Å; D363-R365 IonicContact OD1-NE 2.71Å; D363-R365 PolarHBondContact OD1-NE 3.07Å; D363-R365 IonicContact OD1-NH2 3.76Å; D363-R365 IonicContact OD2-CZ 3.7Å; D363-R365 IonicContact OD2-NE 3.49Å; D363-R365 PolarHBondContact OD2-NE 3.16Å; D363-R365 IonicContact OD2-NH2 3.55Å; D363-R365 PolarHBondContact OD2-NH2 3.02Å; D363-M368 HydrophobicContact CB-CB 3.89Å; D363-M368 HydrophobicContact CB-CE 4.48Å; D363-M368 HydrophobicContact CB-CG 4.43Å; D363-M368 VanDerWaalsContact OD2-CE 3.3Å; D363-M368 WeakPolarHBondContact OD2-CE 3.43Å
364	L	98	Very high	97.4	Very high	13 Å²	13	32.2 Å²	32.2	7%	0.068	17%	0.165	C	C	.	.			trans	-93.4	8.9	-173.6	-62.9	-176.9	0	0	0	113.2	A306 I310 V327 Y329 P336 L339 F362 I369	A306-L364 HydrophobicContact CB-CD2 3.98Å; I310-L364 HydrophobicContact CD1-CD1 4.1Å; I310-L364 HydrophobicContact CD1-CD2 3.83Å; I310-L364 HydrophobicContact CD1-CG 4.47Å; V327-L364 HydrophobicContact CG2-CD1 4.2Å; Y329-L364 PolarHBondContact OH-O 3.13Å; P336-L364 HydrophobicContact CG-CB 3.75Å; L339-L364 HydrophobicContact CD1-CD1 3.83Å; L339-L364 HydrophobicContact CD2-CD1 3.98Å; L339-L364 HydrophobicContact CG-CD1 4.44Å; F362-L364 HydrophobicContact CB-CD2 4.27Å; L364-I369 HydrophobicContact CB-CD1 4.5Å; L364-I369 HydrophobicContact CD2-CD1 4.32Å; L364-I369 HydrophobicContact CD2-CG1 4.44Å; L364-I369 WeakPolarHBondContact O-CD1 3.5Å
365	R	97.4	Very high	97.5	Very high	50 Å²	50	32.2 Å²	32.2	19%	0.189	17%	0.165	C	C	.	.	S	Bend	trans	-63.5	137.9	169.7	-65.3	175.3	-70.4	167.9	-4	109.6	E137 A334 E335 D363 G367 M368 I369	E137-R365 PolarHBondContact O-NH1 3.27Å; E137-R365 IonicContact OE2-CZ 2.84Å; E137-R365 IonicContact OE2-NH1 3.13Å; E137-R365 PolarHBondContact OE2-NH1 2.82Å; E137-R365 VanDerWaalsContact OE2-NH1 3.08Å; E137-R365 IonicContact OE2-NH2 2.84Å; A334-R365 HydrophobicContact CB-CB 4.47Å; A334-R365 HydrophobicContact CB-CG 4.3Å; A334-R365 WeakPolarHBondContact O-CA 3.44Å; E335-R365 HydrophobicContact CG-CG 4.42Å; D363-R365 WeakPolarHBondContact OD1-CB 3.31Å; D363-R365 WeakPolarHBondContact OD1-CG 3.41Å; D363-R365 IonicContact OD1-CZ 3.43Å; D363-R365 PolarHBondContact OD1-N 2.99Å; D363-R365 IonicContact OD1-NE 2.71Å; D363-R365 PolarHBondContact OD1-NE 3.07Å; D363-R365 IonicContact OD1-NH2 3.76Å; D363-R365 IonicContact OD2-CZ 3.7Å; D363-R365 IonicContact OD2-NE 3.49Å; D363-R365 PolarHBondContact OD2-NE 3.16Å; D363-R365 IonicContact OD2-NH2 3.55Å; D363-R365 PolarHBondContact OD2-NH2 3.02Å; R365-G367 PolarHBondContact O-N 3.06Å; R365-M368 HydrophobicContact CB-CB 4.16Å; R365-M368 HydrophobicContact CB-CG 3.77Å; R365-M368 WeakPolarHBondContact O-CA 3.4Å; R365-M368 WeakPolarHBondContact O-CB 3.42Å; R365-M368 PolarHBondContact O-N 2.86Å; R365-I369 PolarHBondContact O-N 2.93Å
366	P	97	Very high	97.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-50.7	-50	-173.3	-30.3	33.1	0	0	0	114.2	I139 A141 V299 Y329 A334 M368 I369 I370	I139-P366 HydrophobicContact CG2-CB 4.18Å; A141-P366 HydrophobicContact CB-CG 4.35Å; V299-P366 HydrophobicContact CG1-CB 4.24Å; V299-P366 HydrophobicContact CG1-CG 3.77Å; Y329-P366 HydrophobicContact CE1-CG 4.4Å; A334-P366 WeakPolarHBondContact O-CD 3.2Å; P366-M368 PolarHBondContact O-N 2.95Å; P366-I369 PolarHBondContact O-N 3.07Å; P366-I370 WeakPolarHBondContact O-CG1 3.28Å; P366-I370 PolarHBondContact O-N 3.47Å
367	G	96.8	Very high	97.7	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-67.2	-25.4	178.6	0	0	0	0	0	113.8	D136 R365 I370 R371	D136-G367 CarbonylContact O-C 3.49Å; D136-G367 WeakPolarHBondContact O-CA 3.49Å; R365-G367 PolarHBondContact O-N 3.06Å; G367-I370 PolarHBondContact O-N 2.86Å; G367-R371 WeakPolarHBondContact O-CB 3.29Å; G367-R371 PolarHBondContact O-N 3.26Å
368	M	97.9	Very high	97.8	Very high	11 Å²	11	38 Å²	38	5%	0.054	19%	0.19	C	C	.	.	H	α-helix	trans	-75.6	-37	175.6	-56.6	-60.2	-82.9	0	0	112	E137 D363 R365 P366 R371 S372	E137-M368 HydrophobicContact CG-CE 4.33Å; E137-M368 HydrophobicContact CG-SD 3.72Å; D363-M368 HydrophobicContact CB-CB 3.89Å; D363-M368 HydrophobicContact CB-CE 4.48Å; D363-M368 HydrophobicContact CB-CG 4.43Å; D363-M368 VanDerWaalsContact OD2-CE 3.3Å; D363-M368 WeakPolarHBondContact OD2-CE 3.43Å; R365-M368 HydrophobicContact CB-CB 4.16Å; R365-M368 HydrophobicContact CB-CG 3.77Å; R365-M368 WeakPolarHBondContact O-CA 3.4Å; R365-M368 WeakPolarHBondContact O-CB 3.42Å; R365-M368 PolarHBondContact O-N 2.86Å; P366-M368 PolarHBondContact O-N 2.95Å; M368-R371 PolarHBondContact O-N 3.36Å; M368-R371 VanDerWaalsContact SD-CZ 3.58Å; M368-S372 VanDerWaalsContact O-CB 3.25Å; M368-S372 WeakPolarHBondContact O-CB 3.42Å; M368-S372 PolarHBondContact O-N 2.63Å; M368-S372 PolarHBondContact O-OG 2.77Å
369	I	98.5	Very high	97.8	Very high	5 Å²	5	39.5 Å²	39.5	3%	0.026	20%	0.197	C	C	.	.	H	α-helix	trans	-61.3	-49.9	169.5	-64.8	169.6	0	0	0	109.6	S302 A303 A306 L364 R365 P366 R371 S372 L373 L375	S302-I369 WeakPolarHBondContact O-CG2 3.47Å; A303-I369 HydrophobicContact CB-CD1 4.39Å; A306-I369 HydrophobicContact CB-CD1 3.83Å; A306-I369 HydrophobicContact CB-CG1 4.02Å; A306-I369 HydrophobicContact CB-CG2 3.95Å; L364-I369 HydrophobicContact CB-CD1 4.5Å; L364-I369 HydrophobicContact CD2-CD1 4.32Å; L364-I369 HydrophobicContact CD2-CG1 4.44Å; L364-I369 WeakPolarHBondContact O-CD1 3.5Å; R365-I369 PolarHBondContact O-N 2.93Å; P366-I369 PolarHBondContact O-N 3.07Å; I369-R371 VanDerWaalsContact C-N 3.27Å; I369-R371 PolarHBondContact O-N 2.9Å; I369-S372 PolarHBondContact O-N 2.65Å; I369-L373 HydrophobicContact CG2-CD1 3.96Å; I369-L373 WeakPolarHBondContact O-CB 3.19Å; I369-L373 PolarHBondContact O-N 2.79Å; I369-L375 HydrophobicContact CG2-CD1 4.25Å
370	I	98.1	Very high	97.9	Very high	5 Å²	5	35.6 Å²	35.6	3%	0.026	18%	0.18	C	C	.	.	H	α-helix	trans	-55.1	-45.7	179.4	-68.2	171	0	0	0	111.1	P296 T297 P366 G367 N374 L375 R376	P296-I370 HydrophobicContact CB-CD1 3.84Å; P296-I370 HydrophobicContact CB-CG1 3.58Å; P296-I370 HydrophobicContact CB-CG2 4.49Å; T297-I370 HydrophobicContact CG2-CD1 4.03Å; P366-I370 WeakPolarHBondContact O-CG1 3.28Å; P366-I370 PolarHBondContact O-N 3.47Å; G367-I370 PolarHBondContact O-N 2.86Å; I370-N374 WeakPolarHBondContact O-CA 3.38Å; I370-N374 PolarHBondContact O-N 3.17Å; I370-L375 HydrophobicContact CG2-CB 4.31Å; I370-L375 PolarHBondContact O-N 2.8Å; I370-R376 HydrophobicContact CG2-CG 3.68Å
371	R	97.5	Very high	98	Very high	133 Å²	133	33.8 Å²	33.8	50%	0.502	16%	0.161	S	C	.	.	H	α-helix	trans	-67.4	-49.1	178.7	-170.9	175.3	72.8	-172.8	11.2	111.9	G367 M368 I369 L373 N374	G367-R371 WeakPolarHBondContact O-CB 3.29Å; G367-R371 PolarHBondContact O-N 3.26Å; M368-R371 PolarHBondContact O-N 3.36Å; M368-R371 VanDerWaalsContact SD-CZ 3.58Å; I369-R371 VanDerWaalsContact C-N 3.27Å; I369-R371 PolarHBondContact O-N 2.9Å; R371-L373 VanDerWaalsContact C-N 3.34Å; R371-L373 PolarHBondContact O-N 2.76Å; R371-N374 PolarHBondContact O-N 2.85Å
372	S	97.8	Very high	97.9	Very high	65 Å²	65	38 Å²	38	46%	0.455	18%	0.179	S	C	.	.	H	α-helix	trans	-64.8	-37.4	-175.3	-59	0	0	0	0	112.7	M368 I369	M368-S372 VanDerWaalsContact O-CB 3.25Å; M368-S372 WeakPolarHBondContact O-CB 3.42Å; M368-S372 PolarHBondContact O-N 2.63Å; M368-S372 PolarHBondContact O-OG 2.77Å; I369-S372 PolarHBondContact O-N 2.65Å
373	L	98.4	Very high	97.9	Very high	5 Å²	5	37.4 Å²	37.4	3%	0.026	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	1.5	178.8	-64.9	179.1	0	0	0	113.1	W309 I369 R371 L375 P395 W396	W309-L373 HydrophobicContact CD2-CD2 3.79Å; W309-L373 HydrophobicContact CE3-CD2 3.79Å; W309-L373 HydrophobicContact CE3-CG 4.31Å; W309-L373 HydrophobicContact CG-CD2 4.23Å; W309-L373 HydrophobicContact CH2-CD2 4.44Å; W309-L373 HydrophobicContact CZ2-CD2 4.44Å; W309-L373 HydrophobicContact CZ3-CD2 4.12Å; I369-L373 HydrophobicContact CG2-CD1 3.96Å; I369-L373 WeakPolarHBondContact O-CB 3.19Å; I369-L373 PolarHBondContact O-N 2.79Å; R371-L373 VanDerWaalsContact C-N 3.34Å; R371-L373 PolarHBondContact O-N 2.76Å; L373-L375 HydrophobicContact CB-CD1 4.16Å; L373-L375 HydrophobicContact CB-CD2 3.72Å; L373-L375 HydrophobicContact CB-CG 3.68Å; L373-L375 HydrophobicContact CD1-CD1 4.39Å; L373-L375 PolarHBondContact O-N 3.43Å; L373-P395 HydrophobicContact CB-CB 4.22Å; L373-P395 HydrophobicContact CD2-CB 4.22Å; L373-P395 WeakPolarHBondContact O-CB 3.49Å; L373-P395 VanDerWaalsContact O-CG 3.31Å; L373-P395 WeakPolarHBondContact O-CG 3.29Å; L373-W396 HydrophobicContact CD1-CB 4.17Å; L373-W396 HydrophobicContact CD2-CB 4.35Å
374	N	98	Very high	97.9	Very high	87 Å²	87	34.7 Å²	34.7	47%	0.465	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	57.1	-178.8	-169.8	13.9	0	0	0	112.6	I370 R371 R377	I370-N374 WeakPolarHBondContact O-CA 3.38Å; I370-N374 PolarHBondContact O-N 3.17Å; R371-N374 PolarHBondContact O-N 2.85Å; N374-R377 VanDerWaalsContact CG-NE 3.31Å; N374-R377 PolarHBondContact ND2-NE 3.41Å; N374-R377 VanDerWaalsContact ND2-NE 3.14Å; N374-R377 PolarHBondContact O-NE 2.97Å; N374-R377 PolarHBondContact O-NH2 2.85Å
375	L	98.7	Very high	97.8	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	17%	0.165	C	C	.	.			trans	-86.2	-12.7	-169.3	-66	-175.2	0	0	0	114.4	P296 Y305 I369 I370 L373 R377 I379 Y380 W396	P296-L375 HydrophobicContact CB-CB 3.77Å; P296-L375 HydrophobicContact CB-CD1 4.16Å; P296-L375 HydrophobicContact CG-CB 3.69Å; P296-L375 WeakPolarHBondContact CG-O 3.35Å; Y305-L375 HydrophobicContact CD2-CD2 4.47Å; I369-L375 HydrophobicContact CG2-CD1 4.25Å; I370-L375 HydrophobicContact CG2-CB 4.31Å; I370-L375 PolarHBondContact O-N 2.8Å; L373-L375 HydrophobicContact CB-CD1 4.16Å; L373-L375 HydrophobicContact CB-CD2 3.72Å; L373-L375 HydrophobicContact CB-CG 3.68Å; L373-L375 HydrophobicContact CD1-CD1 4.39Å; L373-L375 PolarHBondContact O-N 3.43Å; L375-R377 PolarHBondContact O-N 3.5Å; L375-I379 HydrophobicContact CD2-CD1 4.44Å; L375-Y380 WeakPolarHBondContact CA-OH 3.24Å; L375-Y380 VanDerWaalsContact CB-OH 3.28Å; L375-Y380 WeakPolarHBondContact CB-OH 3.19Å; L375-Y380 PolarHBondContact O-OH 2.92Å; L375-W396 HydrophobicContact CD2-CE3 4.07Å; L375-W396 HydrophobicContact CD2-CZ3 3.86Å
376	R	97.7	Very high	97.6	Very high	60 Å²	60	34 Å²	34	23%	0.226	16%	0.161	C	C	.	.	S	Bend	trans	-79.7	54.8	177	-69.4	-177.1	-179.3	146.9	4.2	111.6	P59 N60 D136 I370	P59-R376 HydrophobicContact CB-CB 4.05Å; P59-R376 VanDerWaalsContact O-CB 3.31Å; P59-R376 WeakPolarHBondContact O-CB 3.4Å; P59-R376 VanDerWaalsContact O-CD 3.29Å; P59-R376 WeakPolarHBondContact O-CD 3.37Å; P59-R376 WeakPolarHBondContact O-CG 3.48Å; N60-R376 PolarHBondContact OD1-NE 3.45Å; D136-R376 IonicContact OD1-CZ 3.52Å; D136-R376 IonicContact OD1-NH1 3.08Å; D136-R376 PolarHBondContact OD1-NH1 2.97Å; D136-R376 VanDerWaalsContact OD1-NH1 3.08Å; D136-R376 IonicContact OD1-NH2 2.58Å; D136-R376 PolarHBondContact OD1-NH2 2.89Å; D136-R376 IonicContact OD2-NH1 3.81Å; I370-R376 HydrophobicContact CG2-CG 3.68Å
377	R	98.3	Very high	97.6	Very high	87 Å²	87	34 Å²	34	33%	0.328	16%	0.162	S	C	.	.	S	Bend	trans	-145.2	153.6	-176.9	-67	-173.8	-61.2	130.6	1.9	110.7	N374 L375 I379 Y380	N374-R377 VanDerWaalsContact CG-NE 3.31Å; N374-R377 PolarHBondContact ND2-NE 3.41Å; N374-R377 VanDerWaalsContact ND2-NE 3.14Å; N374-R377 PolarHBondContact O-NE 2.97Å; N374-R377 PolarHBondContact O-NH2 2.85Å; L375-R377 PolarHBondContact O-N 3.5Å; R377-I379 HydrophobicContact CB-CG2 4.01Å; R377-I379 PolarHBondContact O-N 2.86Å; R377-Y380 WeakPolarHBondContact O-CE2 3.49Å
378	P	98.4	Very high	97.7	Very high	47 Å²	47	34 Å²	34	31%	0.305	16%	0.162	S	C	.	.	S	Bend	trans	-78.6	82.8	179.2	29	-29.4	0	0	0	111	D52 E56	D52-P378 HydrophobicContact CB-CB 3.76Å; D52-P378 WeakPolarHBondContact O-CB 3.39Å; D52-P378 VanDerWaalsContact OD1-C 3.22Å; D52-P378 WeakPolarHBondContact OD1-CA 3.47Å; E56-P378 HydrophobicContact CB-CB 4.32Å; E56-P378 HydrophobicContact CB-CG 4.08Å; E56-P378 WeakPolarHBondContact OE2-CG 3.37Å
379	I	98.4	Very high	97.7	Very high	32 Å²	32	33.7 Å²	33.7	16%	0.164	16%	0.16	C	C	.	.			trans	-126.1	5.3	-175.8	64.9	171.6	0	0	0	113	D52 L375 R377 P395 W396	D52-I379 PolarHBondContact OD1-N 2.68Å; L375-I379 HydrophobicContact CD2-CD1 4.44Å; R377-I379 HydrophobicContact CB-CG2 4.01Å; R377-I379 PolarHBondContact O-N 2.86Å; I379-P395 HydrophobicContact CD1-CG 4.11Å; I379-W396 HydrophobicContact CD1-CZ3 4.11Å
380	Y	98.7	Very high	97.7	Very high	1 Å²	1	34.1 Å²	34.1	0%	0.004	17%	0.165	C	C	.	.			trans	-94.4	-31.7	-162.8	-61.5	-76.8	0	0	0	114	L51 D52 L55 P296 Y305 L375 R377 K382 T383	L51-Y380 HydrophobicContact CD2-CD1 4.26Å; L51-Y380 HydrophobicContact CD2-CD2 3.48Å; L51-Y380 VanDerWaalsContact CD2-CD2 3.48Å; L51-Y380 HydrophobicContact CD2-CE2 4.1Å; L51-Y380 HydrophobicContact CD2-CG 3.6Å; L51-Y380 HydrophobicContact CG-CD2 3.96Å; L51-Y380 HydrophobicContact CG-CG 4.46Å; D52-Y380 WeakPolarHBondContact OD1-CB 3.45Å; D52-Y380 VanDerWaalsContact OD1-CD2 3.29Å; D52-Y380 WeakPolarHBondContact OD1-CD2 3.45Å; D52-Y380 PolarHBondContact OD1-N 2.87Å; D52-Y380 PolarHBondContact OD2-N 3.39Å; D52-Y380 VanDerWaalsContact OD2-N 3.15Å; L55-Y380 HydrophobicContact CD1-CD2 3.79Å; L55-Y380 HydrophobicContact CD1-CE2 3.38Å; P296-Y380 VanDerWaalsContact CG-OH 3.25Å; P296-Y380 WeakPolarHBondContact CG-OH 3.43Å; Y305-Y380 HydrophobicContact CE2-CE1 4.08Å; L375-Y380 WeakPolarHBondContact CA-OH 3.24Å; L375-Y380 VanDerWaalsContact CB-OH 3.28Å; L375-Y380 WeakPolarHBondContact CB-OH 3.19Å; L375-Y380 PolarHBondContact O-OH 2.92Å; R377-Y380 WeakPolarHBondContact O-CE2 3.49Å; Y380-K382 PolarHBondContact O-N 3Å; Y380-K382 VanDerWaalsContact O-N 3.11Å; Y380-T383 WeakPolarHBondContact O-CA 3.43Å; Y380-T383 WeakPolarHBondContact O-CB 3.38Å; Y380-T383 PolarHBondContact O-N 2.86Å; Y380-T383 PolarHBondContact O-OG1 3.03Å
381	E	98.3	Very high	97.6	Very high	22 Å²	22	36.6 Å²	36.6	10%	0.103	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-56.2	-37	-177.8	-174.7	-177.2	148.9	0	0	111.3	A49 D52 R94 K98 T383 A384	A49-E381 HydrophobicContact CB-CG 4.14Å; A49-E381 WeakPolarHBondContact CB-OE2 3.38Å; D52-E381 VanDerWaalsContact OD2-CB 3.32Å; D52-E381 WeakPolarHBondContact OD2-CB 3.28Å; D52-E381 PolarHBondContact OD2-N 3.41Å; R94-E381 IonicContact CZ-OE1 3.95Å; R94-E381 IonicContact CZ-OE2 2.75Å; R94-E381 IonicContact NH1-OE1 3.08Å; R94-E381 PolarHBondContact NH1-OE1 3.18Å; R94-E381 IonicContact NH1-OE2 2.71Å; R94-E381 PolarHBondContact NH1-OE2 2.93Å; R94-E381 IonicContact NH2-OE1 3.36Å; R94-E381 IonicContact NH2-OE2 3.24Å; R94-E381 PolarHBondContact NH2-OE2 3.07Å; K98-E381 WeakPolarHBondContact CD-OE1 3.45Å; K98-E381 IonicContact NZ-OE1 3.46Å; K98-E381 PolarHBondContact NZ-OE1 2.96Å; E381-T383 VanDerWaalsContact C-N 3.27Å; E381-T383 PolarHBondContact O-N 2.93Å; E381-A384 PolarHBondContact O-N 2.91Å
382	K	97.2	Very high	97.5	Very high	104 Å²	104	34.5 Å²	34.5	45%	0.452	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-67.4	-26.4	177.5	-167.8	174.1	175	-179.4	0	112.9	Y380 A384 E385 D393 F394	Y380-K382 PolarHBondContact O-N 3Å; Y380-K382 VanDerWaalsContact O-N 3.11Å; K382-A384 VanDerWaalsContact C-N 3.29Å; K382-A384 PolarHBondContact O-N 2.86Å; K382-E385 PolarHBondContact O-N 3.34Å; K382-D393 IonicContact NZ-OD2 3.99Å; K382-D393 PolarHBondContact NZ-OD2 2.91Å; K382-F394 HydrophobicContact CB-CE1 4.31Å; K382-F394 HydrophobicContact CB-CZ 4.2Å; K382-F394 HydrophobicContact CD-CZ 4.44Å; K382-F394 HydrophobicContact CG-CE1 4.49Å; K382-F394 HydrophobicContact CG-CZ 4.08Å
383	T	98.4	Very high	97.3	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-70.9	-26.2	179.6	71.1	0	0	0	0	112.6	D48 Y380 E381 E385 G387 H388 F394 W396	D48-T383 PolarHBondContact OD2-OG1 3.02Å; Y380-T383 WeakPolarHBondContact O-CA 3.43Å; Y380-T383 WeakPolarHBondContact O-CB 3.38Å; Y380-T383 PolarHBondContact O-N 2.86Å; Y380-T383 PolarHBondContact O-OG1 3.03Å; E381-T383 VanDerWaalsContact C-N 3.27Å; E381-T383 PolarHBondContact O-N 2.93Å; T383-E385 PolarHBondContact O-N 2.8Å; T383-G387 CarbonylContact O-C 3.59Å; T383-H388 WeakPolarHBondContact CB-ND1 3.13Å; T383-H388 PolarHBondContact O-CD2 2.85Å; T383-H388 VanDerWaalsContact O-CD2 3.3Å; T383-H388 PolarHBondContact O-NE2 3.16Å; T383-H388 PolarHBondContact OG1-CE1 3.31Å; T383-H388 PolarHBondContact OG1-ND1 2.99Å; T383-F394 HydrophobicContact CG2-CD1 4.1Å; T383-F394 HydrophobicContact CG2-CE1 3.55Å; T383-F394 HydrophobicContact CG2-CE2 4.11Å; T383-F394 HydrophobicContact CG2-CZ 3.57Å; T383-W396 HydrophobicContact CG2-CH2 3.83Å; T383-W396 HydrophobicContact CG2-CZ2 3.83Å
384	A	97.5	Very high	97.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-71.9	-4.9	175.1	0	0	0	0	0	113.3	D44 Q45 E381 K382	D44-A384 HydrophobicContact CB-CB 3.97Å; Q45-A384 HydrophobicContact CB-CB 4.27Å; Q45-A384 HydrophobicContact CG-CB 3.66Å; E381-A384 PolarHBondContact O-N 2.91Å; K382-A384 VanDerWaalsContact C-N 3.29Å; K382-A384 PolarHBondContact O-N 2.86Å
385	E	94.7	Very high	97.3	Very high	27 Å²	27	34.5 Å²	34.5	13%	0.126	17%	0.172	C	C	.	.	S	Bend	trans	-105	114.2	178.5	-54.4	-178.7	-174.2	0	0	110.9	V36 Q45 K98 R174 K382 T383 G387	V36-E385 HydrophobicContact CG1-CB 4.1Å; V36-E385 HydrophobicContact CG1-CG 4.01Å; Q45-E385 HydrophobicContact CG-CG 4.36Å; K98-E385 VanDerWaalsContact CE-OE1 3.27Å; K98-E385 WeakPolarHBondContact CE-OE1 3.46Å; K98-E385 IonicContact NZ-OE1 3.37Å; K98-E385 PolarHBondContact NZ-OE1 2.82Å; R174-E385 IonicContact CZ-OE2 2.8Å; R174-E385 VanDerWaalsContact NH1-CD 3.27Å; R174-E385 IonicContact NH1-OE1 3.96Å; R174-E385 IonicContact NH1-OE2 3.66Å; R174-E385 PolarHBondContact NH1-OE2 2.87Å; R174-E385 IonicContact NH2-OE2 3.22Å; K382-E385 PolarHBondContact O-N 3.34Å; T383-E385 PolarHBondContact O-N 2.8Å; E385-G387 VanDerWaalsContact C-N 3.35Å; E385-G387 PolarHBondContact O-N 3.49Å
386	N	93.2	Very high	97.3	Very high	22 Å²	22	34.4 Å²	34.4	12%	0.118	17%	0.171	C	C	.	.	S	Bend	trans	58.9	37.1	174.8	-48.3	-60.2	0	0	0	115.3	H167 H391	H167-N386 HydrophobicContact CB-CB 4.21Å; H167-N386 PolarHBondContact CD2-O 3.44Å; H167-N386 VanDerWaalsContact CE1-C 3.5Å; H167-N386 PolarHBondContact ND1-O 2.73Å; H167-N386 PolarHBondContact NE2-O 3.38Å; N386-H391 PolarHBondContact O-NE2 3.4Å
387	G	96.4	Very high	97.3	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.01	16%	0.161	C	C	.	.			trans	86.2	155	171.4	0	0	0	0	0	114.1	T383 E385 H391	T383-G387 CarbonylContact O-C 3.59Å; E385-G387 VanDerWaalsContact C-N 3.35Å; E385-G387 PolarHBondContact O-N 3.49Å; G387-H391 PolarHBondContact O-CD2 3.4Å; G387-H391 VanDerWaalsContact O-CD2 3.26Å; G387-H391 PolarHBondContact O-NE2 2.88Å
388	H	98.7	Very high	97.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.168	C	C	.	.	S	Bend	trans	-83.6	-14.6	-173.4	-70.9	-115.8	0	0	0	113.2	D278 F291 Y305 T383 W396	D278-H388 PolarHBondContact O-N 3.13Å; D278-H388 IonicContact OD1-CD2 3.35Å; D278-H388 PolarHBondContact OD1-CD2 2.81Å; D278-H388 IonicContact OD1-NE2 3.89Å; F291-H388 VanDerWaalsContact CB-CE1 3.45Å; F291-H388 WeakPolarHBondContact CB-CE1 3.26Å; F291-H388 HydrophobicContact CD2-CB 4.24Å; F291-H388 AromaticContact CD2-CD2 3.6Å; F291-H388 AromaticContact CD2-CE1 3.66Å; F291-H388 AromaticContact CD2-CG 3.51Å; F291-H388 AromaticContact CD2-ND1 3.53Å; F291-H388 AromaticContact CD2-NE2 3.67Å; F291-H388 HydrophobicContact CE2-CB 4.32Å; Y305-H388 HydrophobicContact CE1-CB 4.08Å; Y305-H388 AromaticContact CE1-ND1 3.66Å; Y305-H388 AromaticContact CZ-ND1 3.62Å; Y305-H388 PolarHBondContact OH-CE1 2.83Å; Y305-H388 PolarHBondContact OH-ND1 3.49Å; T383-H388 WeakPolarHBondContact CB-ND1 3.13Å; T383-H388 PolarHBondContact O-CD2 2.85Å; T383-H388 VanDerWaalsContact O-CD2 3.3Å; T383-H388 PolarHBondContact O-NE2 3.16Å; T383-H388 PolarHBondContact OG1-CE1 3.31Å; T383-H388 PolarHBondContact OG1-ND1 2.99Å; H388-W396 PolarHBondContact O-NE1 3.43Å
389	F	98.8	Very high	97.3	Very high	3 Å²	3	33.3 Å²	33.3	1%	0.013	17%	0.172	C	C	.	.	S	Bend	trans	-122.9	154.1	-170.4	-52.3	-43.1	0	0	0	112	M159 T279 Y280 F291 Y305 R308 H391 W396 E397	M159-F389 HydrophobicContact CE-CB 3.83Å; M159-F389 HydrophobicContact SD-CB 3.66Å; T279-F389 HydrophobicContact CG2-CE2 3.78Å; Y280-F389 AromaticContact CD1-CD2 3.99Å; Y280-F389 HydrophobicContact CD1-CD2 3.99Å; Y280-F389 HydrophobicContact CE1-CB 4.39Å; Y280-F389 AromaticContact CE1-CD2 3.22Å; Y280-F389 HydrophobicContact CE1-CD2 3.22Å; Y280-F389 AromaticContact CE1-CE2 3.68Å; Y280-F389 HydrophobicContact CE1-CE2 3.68Å; Y280-F389 HydrophobicContact CE1-CG 4.05Å; Y280-F389 HydrophobicContact CE2-CD2 4.41Å; Y280-F389 HydrophobicContact CE2-CE2 4.06Å; Y280-F389 AromaticContact CZ-CD2 3.47Å; Y280-F389 VanDerWaalsContact CZ-CD2 3.47Å; Y280-F389 AromaticContact CZ-CE2 3.36Å; Y280-F389 WeakPolarHBondContact OH-CD2 3.31Å; Y280-F389 WeakPolarHBondContact OH-CE2 3.46Å; F291-F389 HydrophobicContact CE2-CZ 4.34Å; F291-F389 HydrophobicContact CZ-CZ 4.3Å; Y305-F389 AromaticContact CD1-CE1 3.69Å; Y305-F389 HydrophobicContact CD1-CE1 3.69Å; Y305-F389 HydrophobicContact CD1-CZ 4.21Å; Y305-F389 HydrophobicContact CE1-CE1 4.13Å; R308-F389 HydrophobicContact CB-CD1 3.91Å; R308-F389 HydrophobicContact CB-CE1 3.72Å; R308-F389 HydrophobicContact CB-CG 4.48Å; R308-F389 HydrophobicContact CB-CZ 4.13Å; R308-F389 HydrophobicContact CG-CB 4.4Å; R308-F389 HydrophobicContact CG-CD1 3.55Å; R308-F389 HydrophobicContact CG-CE1 3.92Å; R308-F389 HydrophobicContact CG-CG 3.97Å; F389-H391 PolarHBondContact O-CD2 3.02Å; F389-W396 AromaticContact CD1-CD1 3.84Å; F389-W396 AromaticContact CD1-NE1 3.68Å; F389-E397 VanDerWaalsContact CA-OE1 3.24Å; F389-E397 WeakPolarHBondContact CA-OE1 3.39Å; F389-E397 WeakPolarHBondContact CB-OE1 3.49Å
390	G	97.9	Very high	97.2	Very high	14 Å²	14	35.3 Å²	35.3	14%	0.144	18%	0.179	C	C	.	.	S	Bend	trans	86.5	12.8	-178.4	0	0	0	0	0	115.5	E397	G390-E397 PolarHBondContact N-OE1 2.9Å; G390-E397 PolarHBondContact N-OE2 2.79Å
391	H	96.2	Very high	97.2	Very high	57 Å²	57	44.1 Å²	44.1	26%	0.264	22%	0.22	S	C	.	.			trans	-115.8	117.1	179.2	-53	-89.8	0	0	0	111.1	N386 G387 F389 D393 F394 E397	N386-H391 PolarHBondContact O-NE2 3.4Å; G387-H391 PolarHBondContact O-CD2 3.4Å; G387-H391 VanDerWaalsContact O-CD2 3.26Å; G387-H391 PolarHBondContact O-NE2 2.88Å; F389-H391 PolarHBondContact O-CD2 3.02Å; H391-D393 PolarHBondContact O-N 3.04Å; H391-F394 HydrophobicContact CB-CD2 3.66Å; H391-F394 HydrophobicContact CB-CE2 3.63Å; H391-F394 AromaticContact CD2-CE2 3.82Å; H391-F394 AromaticContact CG-CE2 3.92Å; H391-F394 PolarHBondContact O-N 3.5Å; H391-F394 VanDerWaalsContact O-N 3.17Å; H391-E397 VanDerWaalsContact O-CB 3.23Å; H391-E397 WeakPolarHBondContact O-CB 3.3Å; H391-E397 VanDerWaalsContact O-CG 3.22Å; H391-E397 WeakPolarHBondContact O-CG 3.3Å
392	D	94.9	Very high	97.2	Very high	90 Å²	90	44 Å²	44	48%	0.481	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-10.4	-174.6	-76.6	-21.1	0	0	0	114.6	K312 F394 K398	K312-D392 IonicContact NZ-OD1 3.71Å; D392-F394 PolarHBondContact O-N 2.82Å; D392-K398 WeakPolarHBondContact O-CE 3.29Å; D392-K398 PolarHBondContact O-NZ 3.07Å
393	D	94.2	Very high	97.2	Very high	117 Å²	117	43.8 Å²	43.8	63%	0.626	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-17.2	176.8	-63.7	-33.7	0	0	0	113.1	K382 H391	K382-D393 IonicContact NZ-OD2 3.99Å; K382-D393 PolarHBondContact NZ-OD2 2.91Å; H391-D393 PolarHBondContact O-N 3.04Å
394	F	98.2	Very high	97.1	Very high	10 Å²	10	45.8 Å²	45.8	4%	0.044	24%	0.238	C	C	.	.	S	Bend	trans	-94.8	143.4	-173.1	-59.5	-50.7	0	0	0	113.8	K382 T383 H391 D392 W396 E397	K382-F394 HydrophobicContact CB-CE1 4.31Å; K382-F394 HydrophobicContact CB-CZ 4.2Å; K382-F394 HydrophobicContact CD-CZ 4.44Å; K382-F394 HydrophobicContact CG-CE1 4.49Å; K382-F394 HydrophobicContact CG-CZ 4.08Å; T383-F394 HydrophobicContact CG2-CD1 4.1Å; T383-F394 HydrophobicContact CG2-CE1 3.55Å; T383-F394 HydrophobicContact CG2-CE2 4.11Å; T383-F394 HydrophobicContact CG2-CZ 3.57Å; H391-F394 HydrophobicContact CB-CD2 3.66Å; H391-F394 HydrophobicContact CB-CE2 3.63Å; H391-F394 AromaticContact CD2-CE2 3.82Å; H391-F394 AromaticContact CG-CE2 3.92Å; H391-F394 PolarHBondContact O-N 3.5Å; H391-F394 VanDerWaalsContact O-N 3.17Å; D392-F394 PolarHBondContact O-N 2.82Å; F394-W396 VanDerWaalsContact C-N 3.34Å; F394-W396 HydrophobicContact CB-CD2 3.95Å; F394-W396 HydrophobicContact CB-CE3 4.33Å; F394-W396 HydrophobicContact CB-CH2 3.95Å; F394-W396 HydrophobicContact CB-CZ2 3.54Å; F394-W396 HydrophobicContact CB-CZ3 4.33Å; F394-W396 AromaticContact CD1-CH2 3.96Å; F394-W396 HydrophobicContact CD1-CH2 3.96Å; F394-W396 AromaticContact CD1-CZ2 3.94Å; F394-W396 HydrophobicContact CD1-CZ2 3.94Å; F394-W396 AromaticContact CD2-CZ2 3.88Å; F394-W396 HydrophobicContact CD2-CZ2 3.88Å; F394-W396 AromaticContact CG-CE2 3.97Å; F394-W396 AromaticContact CG-CH2 3.96Å; F394-W396 HydrophobicContact CG-CH2 3.96Å; F394-W396 AromaticContact CG-CZ2 3.51Å; F394-W396 HydrophobicContact CG-CZ2 3.51Å; F394-W396 PolarHBondContact O-N 3.41Å; F394-E397 HydrophobicContact CB-CG 4.25Å; F394-E397 WeakPolarHBondContact O-CB 3.31Å; F394-E397 PolarHBondContact O-N 2.9Å
395	P	98.4	Very high	97	Very high	29 Å²	29	47 Å²	47	19%	0.188	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-57.5	-41	-177.6	-25.3	33.4	0	0	0	114.2	L373 I379 E397 K398	L373-P395 HydrophobicContact CB-CB 4.22Å; L373-P395 HydrophobicContact CD2-CB 4.22Å; L373-P395 WeakPolarHBondContact O-CB 3.49Å; L373-P395 VanDerWaalsContact O-CG 3.31Å; L373-P395 WeakPolarHBondContact O-CG 3.29Å; I379-P395 HydrophobicContact CD1-CG 4.11Å; P395-E397 PolarHBondContact O-N 3.33Å; P395-K398 PolarHBondContact O-N 2.84Å
396	W	98.8	Very high	97	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-72	-12.4	179.8	52.6	88.5	0	0	0	113.5	Y305 W309 L373 L375 I379 T383 H388 F389 F394 K398	Y305-W396 HydrophobicContact CD1-CD2 4.34Å; Y305-W396 HydrophobicContact CD1-CZ2 4.5Å; Y305-W396 AromaticContact CD2-CD2 3.59Å; Y305-W396 HydrophobicContact CD2-CD2 3.59Å; Y305-W396 AromaticContact CD2-CE2 3.9Å; Y305-W396 AromaticContact CD2-CE3 3.26Å; Y305-W396 HydrophobicContact CD2-CE3 3.26Å; Y305-W396 HydrophobicContact CD2-CG 4.44Å; Y305-W396 AromaticContact CD2-CH2 3.68Å; Y305-W396 HydrophobicContact CD2-CH2 3.68Å; Y305-W396 AromaticContact CD2-CZ2 3.95Å; Y305-W396 HydrophobicContact CD2-CZ2 3.95Å; Y305-W396 AromaticContact CD2-CZ3 3.31Å; Y305-W396 HydrophobicContact CD2-CZ3 3.31Å; Y305-W396 HydrophobicContact CE1-CZ2 4.17Å; Y305-W396 HydrophobicContact CE2-CD2 4.1Å; Y305-W396 AromaticContact CE2-CE2 3.98Å; Y305-W396 AromaticContact CE2-CE3 3.76Å; Y305-W396 HydrophobicContact CE2-CE3 3.76Å; Y305-W396 AromaticContact CE2-CH2 3.19Å; Y305-W396 HydrophobicContact CE2-CH2 3.19Å; Y305-W396 AromaticContact CE2-CZ2 3.56Å; Y305-W396 HydrophobicContact CE2-CZ2 3.56Å; Y305-W396 AromaticContact CE2-CZ3 3.29Å; Y305-W396 HydrophobicContact CE2-CZ3 3.29Å; Y305-W396 AromaticContact CG-CD2 3.7Å; Y305-W396 HydrophobicContact CG-CD2 3.7Å; Y305-W396 AromaticContact CG-CE2 3.98Å; Y305-W396 AromaticContact CG-CE3 3.85Å; Y305-W396 HydrophobicContact CG-CE3 3.85Å; Y305-W396 HydrophobicContact CG-CG 4.12Å; Y305-W396 HydrophobicContact CG-CZ2 4.39Å; Y305-W396 HydrophobicContact CG-CZ3 4.27Å; Y305-W396 AromaticContact CZ-CH2 3.73Å; Y305-W396 AromaticContact CZ-CZ2 3.67Å; Y305-W396 WeakPolarHBondContact O-CB 3.24Å; W309-W396 WeakPolarHBondContact CA-O 3.3Å; W309-W396 HydrophobicContact CB-CB 4.12Å; L373-W396 HydrophobicContact CD1-CB 4.17Å; L373-W396 HydrophobicContact CD2-CB 4.35Å; L375-W396 HydrophobicContact CD2-CE3 4.07Å; L375-W396 HydrophobicContact CD2-CZ3 3.86Å; I379-W396 HydrophobicContact CD1-CZ3 4.11Å; T383-W396 HydrophobicContact CG2-CH2 3.83Å; T383-W396 HydrophobicContact CG2-CZ2 3.83Å; H388-W396 PolarHBondContact O-NE1 3.43Å; F389-W396 AromaticContact CD1-CD1 3.84Å; F389-W396 AromaticContact CD1-NE1 3.68Å; F394-W396 VanDerWaalsContact C-N 3.34Å; F394-W396 HydrophobicContact CB-CD2 3.95Å; F394-W396 HydrophobicContact CB-CE3 4.33Å; F394-W396 HydrophobicContact CB-CH2 3.95Å; F394-W396 HydrophobicContact CB-CZ2 3.54Å; F394-W396 HydrophobicContact CB-CZ3 4.33Å; F394-W396 AromaticContact CD1-CH2 3.96Å; F394-W396 HydrophobicContact CD1-CH2 3.96Å; F394-W396 AromaticContact CD1-CZ2 3.94Å; F394-W396 HydrophobicContact CD1-CZ2 3.94Å; F394-W396 AromaticContact CD2-CZ2 3.88Å; F394-W396 HydrophobicContact CD2-CZ2 3.88Å; F394-W396 AromaticContact CG-CE2 3.97Å; F394-W396 AromaticContact CG-CH2 3.96Å; F394-W396 HydrophobicContact CG-CH2 3.96Å; F394-W396 AromaticContact CG-CZ2 3.51Å; F394-W396 HydrophobicContact CG-CZ2 3.51Å; F394-W396 PolarHBondContact O-N 3.41Å; W396-K398 VanDerWaalsContact C-N 3.35Å
397	E	98.7	Very high	97	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-88.2	-4.1	175.1	-68.9	-66.1	148.4	0	0	112.4	R308 K312 F389 G390 H391 F394 P395 P399	R308-E397 WeakPolarHBondContact CG-OE1 3.44Å; R308-E397 IonicContact CZ-OE1 3.67Å; R308-E397 IonicContact CZ-OE2 2.79Å; R308-E397 IonicContact NE-OE1 2.66Å; R308-E397 PolarHBondContact NE-OE1 2.97Å; R308-E397 IonicContact NE-OE2 3.72Å; R308-E397 IonicContact NH2-OE1 3.9Å; R308-E397 PolarHBondContact NH2-OE1 2.84Å; R308-E397 IonicContact NH2-OE2 2.68Å; R308-E397 PolarHBondContact NH2-OE2 3.41Å; K312-E397 WeakPolarHBondContact CD-O 3.35Å; K312-E397 VanDerWaalsContact CD-OE2 3.31Å; K312-E397 WeakPolarHBondContact CD-OE2 3.32Å; K312-E397 VanDerWaalsContact CE-O 3.28Å; K312-E397 WeakPolarHBondContact CE-O 3.22Å; K312-E397 WeakPolarHBondContact CE-OE2 3.34Å; K312-E397 PolarHBondContact NZ-O 3.02Å; K312-E397 IonicContact NZ-OE2 3.75Å; K312-E397 PolarHBondContact NZ-OE2 2.97Å; F389-E397 VanDerWaalsContact CA-OE1 3.24Å; F389-E397 WeakPolarHBondContact CA-OE1 3.39Å; F389-E397 WeakPolarHBondContact CB-OE1 3.49Å; G390-E397 PolarHBondContact N-OE1 2.9Å; G390-E397 PolarHBondContact N-OE2 2.79Å; H391-E397 VanDerWaalsContact O-CB 3.23Å; H391-E397 WeakPolarHBondContact O-CB 3.3Å; H391-E397 VanDerWaalsContact O-CG 3.22Å; H391-E397 WeakPolarHBondContact O-CG 3.3Å; F394-E397 HydrophobicContact CB-CG 4.25Å; F394-E397 WeakPolarHBondContact O-CB 3.31Å; F394-E397 PolarHBondContact O-N 2.9Å; P395-E397 PolarHBondContact O-N 3.33Å; E397-P399 WeakPolarHBondContact O-CD 3.45Å
398	K	98.3	Very high	96.8	Very high	110 Å²	110	56.5 Å²	56.5	48%	0.478	30%	0.296	S	S	.	.	S	Bend	trans	-87.6	102	174.6	-59.3	-56.1	-177.6	-170.6	0	110.3	W309 D392 P395 W396 K400	W309-K398 PolarHBondContact NE1-O 3.25Å; D392-K398 WeakPolarHBondContact O-CE 3.29Å; D392-K398 PolarHBondContact O-NZ 3.07Å; P395-K398 PolarHBondContact O-N 2.84Å; W396-K398 VanDerWaalsContact C-N 3.35Å; K398-K400 PolarHBondContact O-N 2.88Å
399	P	97.7	Very high	96.5	Very high	60 Å²	60	59.8 Å²	59.8	39%	0.39	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-58.9	137.9	-178.7	27.2	-35.5	0	0	0	110.5	K316 E397	K316-P399 HydrophobicContact CB-CB 3.87Å; K316-P399 HydrophobicContact CB-CG 4.18Å; K316-P399 HydrophobicContact CG-CB 4.11Å; K316-P399 HydrophobicContact CG-CG 4.11Å; E397-P399 WeakPolarHBondContact O-CD 3.45Å
400	K	97.1	Very high	96.1	Very high	75 Å²	75	67.1 Å²	67.1	33%	0.326	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-82.2	137.9	178	-171.9	171.5	-178.9	165.4	0	110	W309 S313 N361 F362 K398 L402	W309-K400 HydrophobicContact CH2-CD 3.98Å; W309-K400 HydrophobicContact CZ2-CB 3.9Å; W309-K400 HydrophobicContact CZ2-CD 3.82Å; W309-K400 HydrophobicContact CZ2-CG 4.2Å; S313-K400 PolarHBondContact OG-N 2.97Å; N361-K400 PolarHBondContact O-NZ 3.24Å; F362-K400 HydrophobicContact CD1-CD 4.4Å; F362-K400 HydrophobicContact CE1-CB 4.13Å; F362-K400 HydrophobicContact CE1-CD 3.83Å; F362-K400 HydrophobicContact CZ-CB 4.04Å; F362-K400 HydrophobicContact CZ-CD 4.08Å; K398-K400 PolarHBondContact O-N 2.88Å; K400-L402 HydrophobicContact CB-CD2 4.44Å; K400-L402 PolarHBondContact O-N 2.74Å
401	E	97.8	Very high	95.7	Very high	185 Å²	185	69 Å²	69	86%	0.864	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-67.4	117.1	164.7	-172.3	179.6	178.9	0	0	108.9
402	L	98.1	Very high	95.3	Very high	21 Å²	21	67.5 Å²	67.5	11%	0.11	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-89.4	124.9	-170.4	-61.4	177	0	0	0	111.5	L314 L319 I357 N361 F362 K400 I404	L314-L402 HydrophobicContact CD2-CD1 3.8Å; L319-L402 HydrophobicContact CD1-CD1 3.9Å; I357-L402 HydrophobicContact CG2-CB 4.2Å; I357-L402 HydrophobicContact CG2-CD1 4.04Å; N361-L402 HydrophobicContact CB-CD2 4.05Å; F362-L402 HydrophobicContact CE2-CD2 3.54Å; F362-L402 HydrophobicContact CZ-CD2 3.68Å; K400-L402 HydrophobicContact CB-CD2 4.44Å; K400-L402 PolarHBondContact O-N 2.74Å; L402-I404 HydrophobicContact CB-CD1 4.09Å; L402-I404 PolarHBondContact O-N 2.85Å
403	V	97.1	Very high	95	Very high	99 Å²	99	69.1 Å²	69.1	60%	0.6	35%	0.348	S	S	*	.			trans	-72.4	115	166	-179.9	0	0	0	0	108.4	N361 P405	N361-V403 PolarHBondContact ND2-N 3.02Å; N361-V403 PolarHBondContact ND2-O 3.03Å; N361-V403 PolarHBondContact OD1-N 2.68Å; V403-P405 WeakPolarHBondContact O-CD 3.45Å
404	I	96.6	Very high	94.6	Very high	42 Å²	42	66.2 Å²	66.2	22%	0.215	34%	0.337	C	S	.	.			trans	-88.2	119.6	178.7	-51	-56.1	0	0	0	109.5	L319 I357 L402 V408 L409 L412	L319-I404 HydrophobicContact CD1-CD1 4.12Å; I357-I404 HydrophobicContact CD1-CD1 3.91Å; I357-I404 HydrophobicContact CD1-CG2 4.41Å; I357-I404 HydrophobicContact CG1-CD1 4.14Å; I357-I404 HydrophobicContact CG1-CG2 4.48Å; I357-I404 HydrophobicContact CG2-CD1 4.1Å; L402-I404 HydrophobicContact CB-CD1 4.09Å; L402-I404 PolarHBondContact O-N 2.85Å; I404-V408 HydrophobicContact CG2-CB 3.98Å; I404-V408 HydrophobicContact CG2-CG1 4.09Å; I404-L409 HydrophobicContact CB-CD1 4.47Å; I404-L409 HydrophobicContact CG2-CB 4.06Å; I404-L409 HydrophobicContact CG2-CD1 4.36Å; I404-L412 HydrophobicContact CG2-CD1 4.09Å
405	P	95.6	Very high	93.5	Very high	26 Å²	26	68.6 Å²	68.6	17%	0.169	35%	0.352	C	S	.	.			trans	-57	143.5	178.1	-26	35.5	0	0	0	111.8	I357 A360 V403 K407 V408 L409	I357-P405 HydrophobicContact CG1-CG 4.48Å; A360-P405 HydrophobicContact CB-CG 4.07Å; V403-P405 WeakPolarHBondContact O-CD 3.45Å; P405-K407 PolarHBondContact O-N 3.36Å; P405-V408 HydrophobicContact CB-CG2 4.39Å; P405-V408 PolarHBondContact O-N 3.24Å; P405-L409 PolarHBondContact O-N 3.12Å
406	P	94.5	Very high	91.9	Very high	102 Å²	102	74.6 Å²	74.6	66%	0.662	38%	0.378	S	S	*	.	H	α-helix	trans	-54.6	-32.3	-175.6	-29.2	35	0	0	0	114.9	K410	P406-K410 WeakPolarHBondContact O-CG 3.11Å; P406-K410 PolarHBondContact O-N 2.97Å
407	K	92.3	Very high	89.8	Confident	145 Å²	145	82.6 Å²	82.6	63%	0.63	42%	0.415	S	S	*	.	H	α-helix	trans	-62.8	-47.5	175.8	-178.8	-174.4	171.9	-165	0	111.3	P405 K410	P405-K407 PolarHBondContact O-N 3.36Å; K407-K410 PolarHBondContact O-N 3.35Å
408	V	92.5	Very high	87	Confident	2 Å²	2	94 Å²	94	1%	0.012	47%	0.465	C	S	.	.	H	α-helix	trans	-72.6	-36.7	-178	-175	0	0	0	0	110.9	L349 D353 I357 I404 P405 K410 I411 L412	L349-V408 HydrophobicContact CD1-CG1 3.46Å; L349-V408 VanDerWaalsContact CD1-CG1 3.46Å; L349-V408 HydrophobicContact CD2-CG1 3.81Å; L349-V408 HydrophobicContact CG-CG1 4.26Å; D353-V408 HydrophobicContact CB-CG1 3.99Å; D353-V408 HydrophobicContact CB-CG2 3.92Å; I357-V408 HydrophobicContact CD1-CG1 3.8Å; I357-V408 HydrophobicContact CG1-CG1 4.31Å; I404-V408 HydrophobicContact CG2-CB 3.98Å; I404-V408 HydrophobicContact CG2-CG1 4.09Å; P405-V408 HydrophobicContact CB-CG2 4.39Å; P405-V408 PolarHBondContact O-N 3.24Å; V408-K410 PolarHBondContact O-N 3.21Å; V408-I411 WeakPolarHBondContact O-CB 3.44Å; V408-I411 PolarHBondContact O-N 3.25Å; V408-L412 PolarHBondContact O-N 2.74Å; V408-L412 VanDerWaalsContact O-N 3.09Å
409	L	92.2	Very high	86.4	Confident	68 Å²	68	93.3 Å²	93.3	36%	0.356	46%	0.464	S	S	.	.	H	α-helix	trans	-60.2	-32.8	177.1	-170.5	65.7	0	0	0	112.7	I404 P405 K413	I404-L409 HydrophobicContact CB-CD1 4.47Å; I404-L409 HydrophobicContact CG2-CB 4.06Å; I404-L409 HydrophobicContact CG2-CD1 4.36Å; P405-L409 PolarHBondContact O-N 3.12Å; L409-K413 WeakPolarHBondContact O-CG 3.39Å; L409-K413 PolarHBondContact O-N 2.92Å; L409-K413 VanDerWaalsContact O-N 3.13Å
410	K	90.8	Very high	85.8	Confident	157 Å²	157	95 Å²	95	68%	0.683	47%	0.468	S	S	*	.	H	α-helix	trans	-64.9	-40.3	174.1	-72.1	175.8	-177	-177.5	0	111.9	P406 K407 V408 K413 S414	P406-K410 WeakPolarHBondContact O-CG 3.11Å; P406-K410 PolarHBondContact O-N 2.97Å; K407-K410 PolarHBondContact O-N 3.35Å; V408-K410 PolarHBondContact O-N 3.21Å; K410-K413 PolarHBondContact O-N 3.13Å; K410-S414 PolarHBondContact O-N 3.36Å; K410-S414 PolarHBondContact O-OG 2.98Å
411	I	89.6	Confident	85.2	Confident	54 Å²	54	96.1 Å²	96.1	28%	0.277	48%	0.476	S	S	.	.	H	α-helix	trans	-64	-50.7	178.3	-57.8	171.8	0	0	0	109.6	L349 V408 K413 S414 V415	L349-I411 HydrophobicContact CD2-CB 4.11Å; L349-I411 HydrophobicContact CD2-CG2 3.78Å; V408-I411 WeakPolarHBondContact O-CB 3.44Å; V408-I411 PolarHBondContact O-N 3.25Å; I411-K413 VanDerWaalsContact C-N 3.29Å; I411-K413 PolarHBondContact O-N 3.25Å; I411-S414 PolarHBondContact O-N 3.15Å; I411-S414 PolarHBondContact O-OG 3.31Å; I411-V415 WeakPolarHBondContact O-CG2 3.4Å; I411-V415 PolarHBondContact O-N 2.76Å; I411-V415 VanDerWaalsContact O-N 3.12Å
412	L	88.4	Confident	84.4	Confident	26 Å²	26	90.9 Å²	90.9	14%	0.136	45%	0.454	C	S	.	.	H	α-helix	trans	-54.8	-44.6	177.7	-69.8	175.8	0	0	0	112.4	L319 I348 L349 I404 V408 S414 V415 Q416	L319-L412 HydrophobicContact CD2-CD1 4Å; L319-L412 HydrophobicContact CD2-CD2 4.24Å; I348-L412 HydrophobicContact CD1-CD2 3.69Å; I348-L412 HydrophobicContact CG1-CD2 4.12Å; L349-L412 HydrophobicContact CD1-CD2 3.91Å; L349-L412 HydrophobicContact CD1-CG 4.29Å; L349-L412 HydrophobicContact CD2-CD2 3.72Å; L349-L412 HydrophobicContact CD2-CG 4.01Å; L349-L412 HydrophobicContact CG-CD2 3.78Å; L349-L412 HydrophobicContact CG-CG 4.43Å; I404-L412 HydrophobicContact CG2-CD1 4.09Å; V408-L412 PolarHBondContact O-N 2.74Å; V408-L412 VanDerWaalsContact O-N 3.09Å; L412-S414 PolarHBondContact O-N 2.81Å; L412-V415 PolarHBondContact O-N 3.39Å; L412-Q416 PolarHBondContact O-N 3.41Å
413	K	88.2	Confident	83.6	Confident	123 Å²	123	95.3 Å²	95.3	54%	0.535	48%	0.475	S	S	.	.	H	α-helix	trans	-66.2	-35.2	177.9	-74.1	179.8	178.6	-176.4	0	113.2	L409 K410 I411 Q417	L409-K413 WeakPolarHBondContact O-CG 3.39Å; L409-K413 PolarHBondContact O-N 2.92Å; L409-K413 VanDerWaalsContact O-N 3.13Å; K410-K413 PolarHBondContact O-N 3.13Å; I411-K413 VanDerWaalsContact C-N 3.29Å; I411-K413 PolarHBondContact O-N 3.25Å; K413-Q417 WeakPolarHBondContact O-CG 3.48Å
414	S	85	Confident	82.7	Confident	57 Å²	57	95 Å²	95	40%	0.399	47%	0.467	S	S	.	.	H	α-helix	trans	-69.3	-33.2	177.3	60.9	0	0	0	0	113	K410 I411 L412 F418	K410-S414 PolarHBondContact O-N 3.36Å; K410-S414 PolarHBondContact O-OG 2.98Å; I411-S414 PolarHBondContact O-N 3.15Å; I411-S414 PolarHBondContact O-OG 3.31Å; L412-S414 PolarHBondContact O-N 2.81Å; S414-F418 VanDerWaalsContact O-CD2 3.23Å; S414-F418 WeakPolarHBondContact O-CD2 3.47Å
415	V	76.1	Confident	81.7	Confident	60 Å²	60	98.8 Å²	98.8	36%	0.364	49%	0.485	S	S	.	.	H	α-helix	trans	-76.9	-35.9	-179.8	178.6	0	0	0	0	111.5	I348 I411 L412 Q417 F418	I348-V415 HydrophobicContact CB-CG1 4.46Å; I348-V415 HydrophobicContact CD1-CB 4.02Å; I348-V415 HydrophobicContact CD1-CG1 3.84Å; I348-V415 HydrophobicContact CD1-CG2 4.44Å; I348-V415 HydrophobicContact CG2-CG1 4.48Å; I411-V415 WeakPolarHBondContact O-CG2 3.4Å; I411-V415 PolarHBondContact O-N 2.76Å; I411-V415 VanDerWaalsContact O-N 3.12Å; L412-V415 PolarHBondContact O-N 3.39Å; V415-Q417 PolarHBondContact O-N 3.14Å; V415-F418 PolarHBondContact O-N 3.3Å
416	Q	65.1	Low	80.6	Confident	155 Å²	155	104.4 Å²	104.4	72%	0.724	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-10.2	177.5	-73	-179.1	-20.9	0	0	114.6	L412	L412-Q416 PolarHBondContact O-N 3.41Å
417	Q	53.4	Low	79.5	Confident	168 Å²	168	104.6 Å²	104.6	79%	0.785	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-0.9	177.5	-77.8	-175.1	-11.2	0	0	113.9	K413 V415	K413-Q417 WeakPolarHBondContact O-CG 3.48Å; V415-Q417 PolarHBondContact O-N 3.14Å
418	F	40	Very low	78.3	Confident	240 Å²	240	100.9 Å²	100.9	100%	1.053	48%	0.484	S	S	*	.			trans	-114.3	0	170.4	-64.3	-81.9	0	0	0	109.4	S414 V415	S414-F418 VanDerWaalsContact O-CD2 3.23Å; S414-F418 WeakPolarHBondContact O-CD2 3.47Å; V415-F418 PolarHBondContact O-N 3.3Å

Retrieved 418 of 418 residues in 839.8 ms (Link to these results)

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