A0A2K5Z3G6_MANLE Loading...

Bis(5'-adenosyl)-triphosphatase ENPP4

Hydrolyzes extracellular Ap3A into AMP and ADP, and Ap4A into AMP and ATP. Ap3A and Ap4A are diadenosine polyphosphates thought to induce proliferation of vascular smooth muscle cells. Acts as a procoagulant, mediating platelet aggregation at the site of nascent thrombus via release of ADP from Ap3A and activation of ADP receptors.

AlphaFold DB , UniProt , Accession A0A2K5Z3G6, Species MANLE (Mandrillus leucophaeus, Drill), Gene ENPP4, Length 453 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.4	Very low	38.2	Very low	247 Å²	247	155.8 Å²	155.8	100%	1.217	84%	0.835	S	S	*	*				0	94	0	-94.8	161.7	58.5	0	0	109.5
2	K	32.2	Very low	38.2	Very low	214 Å²	214	156 Å²	156	93%	0.93	83%	0.834	S	S	*	*			trans	-128.9	112.6	164.5	-82.1	-175.8	175.5	-179.6	0	105.1
3	L	35.6	Very low	38.4	Very low	170 Å²	170	156.5 Å²	156.5	89%	0.89	83%	0.834	S	S	*	*			trans	-95.9	117.5	179.6	-147.3	81.4	0	0	0	107.7
4	L	34	Very low	38.7	Very low	153 Å²	153	153.4 Å²	153.4	80%	0.801	83%	0.825	S	S	*	*			trans	-87.7	118.3	174.4	-156.3	84.9	0	0	0	107.1	I6	L4-I6 HydrophobicContact CD2-CD1 4.19Å; L4-I6 HydrophobicContact CD2-CG1 4.13Å
5	V	38.5	Very low	38.7	Very low	118 Å²	118	147.6 Å²	147.6	72%	0.715	82%	0.815	S	S	*	*			trans	-98.1	110.3	171.7	175.5	0	0	0	0	107.6
6	I	38.3	Very low	38.6	Very low	133 Å²	133	146.1 Å²	146.1	68%	0.682	82%	0.816	S	S	*	*			trans	-92.1	115.3	170.2	-64.7	173.9	0	0	0	106.8	L4	L4-I6 HydrophobicContact CD2-CD1 4.19Å; L4-I6 HydrophobicContact CD2-CG1 4.13Å
7	L	39.9	Very low	38.5	Very low	145 Å²	145	150.9 Å²	150.9	76%	0.759	82%	0.819	S	S	*	*			trans	-91.2	110.5	170	-93.8	153.4	0	0	0	109	F9	L7-F9 PolarHBondContact O-N 3.34Å
8	L	37.4	Very low	38.5	Very low	153 Å²	153	148.3 Å²	148.3	80%	0.801	81%	0.814	S	S	*	*			trans	-76.5	109.2	169.3	-84.2	152.2	0	0	0	109.2
9	F	40.2	Very low	38.4	Very low	199 Å²	199	148.1 Å²	148.1	87%	0.873	81%	0.811	S	S	*	*			trans	-84.7	107.4	163.9	-99.5	-90.6	0	0	0	109	L7 G11	L7-F9 PolarHBondContact O-N 3.34Å; F9-G11 PolarHBondContact O-N 3.13Å
10	S	42.1	Very low	38.3	Very low	108 Å²	108	146.2 Å²	146.2	76%	0.755	81%	0.809	S	S	*	*			trans	-74.5	115.6	170.3	-37.5	0	0	0	0	108.8	L12	S10-L12 PolarHBondContact O-N 3.44Å
11	G	43.1	Very low	38.4	Very low	74 Å²	74	143.8 Å²	143.8	76%	0.763	80%	0.803	S	S	*	*			trans	-69.8	119.2	176.1	0	0	0	0	0	111.9	F9	F9-G11 PolarHBondContact O-N 3.13Å
12	L	39	Very low	38.6	Very low	158 Å²	158	137.5 Å²	137.5	83%	0.827	78%	0.783	S	S	*	*			trans	-90.3	93.6	153.7	-94.2	119.9	0	0	0	107.5	S10 T14	S10-L12 PolarHBondContact O-N 3.44Å; L12-T14 VanDerWaalsContact C-N 3.25Å; L12-T14 PolarHBondContact O-N 3.24Å; L12-T14 VanDerWaalsContact O-N 3.1Å
13	I	40.4	Very low	40.1	Very low	162 Å²	162	132.1 Å²	132.1	83%	0.831	77%	0.773	S	S	*	*			trans	-77.4	87.2	162.2	-58.1	173.6	0	0	0	105.6	G15	I13-G15 VanDerWaalsContact C-N 3.27Å; I13-G15 PolarHBondContact O-N 3.16Å
14	T	42.4	Very low	42.3	Very low	114 Å²	114	131.6 Å²	131.6	70%	0.699	77%	0.77	S	S	*	*			trans	-66.7	96.1	158.9	38.5	0	0	0	0	106.8	L12 C16	L12-T14 VanDerWaalsContact C-N 3.25Å; L12-T14 PolarHBondContact O-N 3.24Å; L12-T14 VanDerWaalsContact O-N 3.1Å; T14-C16 PolarHBondContact O-N 3.5Å
15	G	39.1	Very low	45.1	Very low	66 Å²	66	126.4 Å²	126.4	68%	0.68	75%	0.745	S	S	*	*			trans	-57.4	104.7	168.3	0	0	0	0	0	108.6	I13 R17	I13-G15 VanDerWaalsContact C-N 3.27Å; I13-G15 PolarHBondContact O-N 3.16Å; G15-R17 PolarHBondContact O-N 3.38Å
16	C	37	Very low	47.9	Very low	123 Å²	123	123.5 Å²	123.5	83%	0.831	73%	0.729	S	S	*	*			trans	-63.2	97.5	160.5	-73.6	0	0	0	0	106	T14 S18	T14-C16 PolarHBondContact O-N 3.5Å; C16-S18 VanDerWaalsContact C-N 3.27Å; C16-S18 PolarHBondContact O-N 2.9Å
17	R	37.4	Very low	50.7	Low	228 Å²	228	119.3 Å²	119.3	86%	0.86	71%	0.706	S	S	*	*			trans	-56.9	103.6	153.4	-109.6	177.7	171.9	171.2	-3.4	104.9	G15 D19	G15-R17 PolarHBondContact O-N 3.38Å; R17-D19 PolarHBondContact O-N 3.35Å
18	S	38.5	Very low	53.5	Low	105 Å²	105	112.4 Å²	112.4	73%	0.734	67%	0.669	S	S	*	*			trans	-60.8	98	157.9	52.8	0	0	0	0	105.5	C16 S20	C16-S18 VanDerWaalsContact C-N 3.27Å; C16-S18 PolarHBondContact O-N 2.9Å; S18-S20 PolarHBondContact O-N 3.47Å
19	D	35.8	Very low	56.5	Low	143 Å²	143	105.1 Å²	105.1	77%	0.765	63%	0.631	S	S	*	*			trans	-59.5	96.1	157.7	-88.3	-24.9	0	0	0	105.5	R17 S21	R17-D19 PolarHBondContact O-N 3.35Å; D19-S21 PolarHBondContact O-N 3.28Å
20	S	37.4	Very low	59.3	Low	110 Å²	110	95.6 Å²	95.6	77%	0.769	59%	0.59	S	S	*	*			trans	-69.4	67.8	161.5	59	0	0	0	0	107	S18 S22	S18-S20 PolarHBondContact O-N 3.47Å; S20-S22 VanDerWaalsContact C-N 3.33Å; S20-S22 PolarHBondContact O-N 3.03Å; S20-S22 VanDerWaalsContact O-N 3.08Å
21	S	39.1	Very low	62	Low	96 Å²	96	90.5 Å²	90.5	67%	0.671	55%	0.554	S	S	*	*			trans	-60.5	111.2	150.9	74.9	0	0	0	0	103.5	D19 S23	D19-S21 PolarHBondContact O-N 3.28Å; S21-S23 PolarHBondContact O-N 3.4Å
22	S	43	Very low	64.6	Low	116 Å²	116	87 Å²	87	81%	0.811	52%	0.517	S	S	*	.			trans	-63.4	84.1	173.5	56.8	0	0	0	0	107.3	S20 L24	S20-S22 VanDerWaalsContact C-N 3.33Å; S20-S22 PolarHBondContact O-N 3.03Å; S20-S22 VanDerWaalsContact O-N 3.08Å; S22-L24 PolarHBondContact O-N 3.49Å
23	S	64	Low	67.5	Low	101 Å²	101	79.4 Å²	79.4	71%	0.706	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-58.8	122.2	173.1	55.9	0	0	0	0	106.4	S21	S21-S23 PolarHBondContact O-N 3.4Å
24	L	81.7	Confident	70.3	Confident	158 Å²	158	71.8 Å²	71.8	83%	0.827	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-50.3	136.4	174.8	-71.3	168.1	0	0	0	108.7	S22	S22-L24 PolarHBondContact O-N 3.49Å
25	P	92.3	Very high	73	Confident	45 Å²	45	66.4 Å²	66.4	29%	0.292	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-59.9	141	-176.9	25.5	-34.3	0	0	0	109.8	K27 P177 T179	P25-K27 PolarHBondContact O-N 3.32Å; P25-P177 HydrophobicContact CG-CG 3.98Å; P25-T179 HydrophobicContact CB-CG2 3.87Å; P25-T179 HydrophobicContact CG-CG2 3.85Å
26	P	96.9	Very high	75.8	Confident	57 Å²	57	63.2 Å²	63.2	37%	0.37	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-58.9	137.9	179.8	24.6	-33.8	0	0	0	110.2	T179 I377 L378	P26-T179 WeakPolarHBondContact O-CB 3.41Å; P26-I377 VanDerWaalsContact CB-O 3.29Å; P26-I377 WeakPolarHBondContact CB-O 3.09Å; P26-I377 VanDerWaalsContact CG-O 3.23Å; P26-I377 WeakPolarHBondContact CG-O 3.02Å; P26-L378 WeakPolarHBondContact O-CD2 3.41Å
27	K	98.7	Very high	78.8	Confident	44 Å²	44	59.4 Å²	59.4	19%	0.191	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	143.4	176.7	-59	-173.4	177.1	176.8	0	110.2	P25 L171 V178 T179 L230 N231	P25-K27 PolarHBondContact O-N 3.32Å; K27-L171 PolarHBondContact NZ-O 2.99Å; K27-V178 WeakPolarHBondContact CD-O 3.29Å; K27-V178 WeakPolarHBondContact CE-O 3.47Å; K27-T179 CarbonylContact C-O 3.59Å; K27-T179 VanDerWaalsContact CA-O 3.31Å; K27-T179 WeakPolarHBondContact CA-O 3.5Å; K27-L230 HydrophobicContact CB-CD1 3.53Å; K27-N231 WeakPolarHBondContact O-CB 3.21Å; K27-N231 PolarHBondContact O-N 3.31Å; K27-N231 VanDerWaalsContact O-N 3.09Å; K27-N231 PolarHBondContact O-ND2 2.84Å
28	L	98.9	Very high	81.7	Confident	0 Å²	0	49 Å²	49	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	129.3	176.9	178.4	66.5	0	0	0	110.6	T179 F180 A181 N231 I233 M374 L378	L28-T179 PolarHBondContact N-O 3.21Å; L28-F180 HydrophobicContact CB-CD2 4.32Å; L28-F180 HydrophobicContact CD2-CD2 4.09Å; L28-F180 HydrophobicContact CD2-CE2 4.03Å; L28-F180 HydrophobicContact CG-CD2 4.33Å; L28-F180 HydrophobicContact CG-CE2 4.44Å; L28-F180 CarbonylContact O-C 3.58Å; L28-F180 WeakPolarHBondContact O-CA 3.49Å; L28-A181 PolarHBondContact O-N 2.94Å; L28-N231 CarbonylContact C-O 3.49Å; L28-N231 VanDerWaalsContact CA-O 3.3Å; L28-N231 WeakPolarHBondContact CA-O 3.16Å; L28-N231 HydrophobicContact CD1-CB 3.7Å; L28-I233 HydrophobicContact CD1-CD1 3.86Å; L28-I233 HydrophobicContact CD1-CG1 3.99Å; L28-I233 HydrophobicContact CD2-CD1 4.33Å; L28-M374 HydrophobicContact CD2-CB 3.67Å; L28-M374 HydrophobicContact CD2-CG 3.56Å; L28-M374 HydrophobicContact CD2-SD 3.81Å; L28-L378 HydrophobicContact CB-CD1 4.3Å; L28-L378 HydrophobicContact CB-CD2 3.81Å; L28-L378 HydrophobicContact CB-CG 4.17Å; L28-L378 HydrophobicContact CD2-CD1 4.24Å; L28-L378 HydrophobicContact CD2-CG 4.45Å
29	L	98.9	Very high	84.6	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	120.5	167.4	174.1	61.8	0	0	0	109.1	V31 I167 L171 A181 L183 L217 L230 N231 V232 I233	L29-V31 HydrophobicContact CD1-CG2 4.31Å; L29-V31 HydrophobicContact CD2-CG2 4.03Å; L29-V31 HydrophobicContact CG-CG2 3.78Å; L29-I167 HydrophobicContact CD1-CG1 4.02Å; L29-L171 HydrophobicContact CB-CD1 4.13Å; L29-L171 HydrophobicContact CD1-CD1 4.22Å; L29-L171 HydrophobicContact CD2-CD1 4.3Å; L29-L171 HydrophobicContact CG-CD1 4.45Å; L29-A181 WeakPolarHBondContact CA-O 3.37Å; L29-A181 HydrophobicContact CD1-CB 3.76Å; L29-L183 HydrophobicContact CD1-CB 4.21Å; L29-L217 HydrophobicContact CD2-CD1 3.96Å; L29-L230 HydrophobicContact CB-CD1 4.37Å; L29-L230 HydrophobicContact CB-CD2 4.03Å; L29-L230 HydrophobicContact CB-CG 4.41Å; L29-L230 HydrophobicContact CD2-CD2 4.32Å; L29-N231 PolarHBondContact N-O 3.1Å; L29-V232 HydrophobicContact CB-CG2 4.43Å; L29-V232 HydrophobicContact CD2-CG1 4.41Å; L29-V232 CarbonylContact O-C 3.34Å; L29-V232 WeakPolarHBondContact O-CA 3.36Å; L29-I233 PolarHBondContact O-N 3.34Å
30	L	99	Very high	87.6	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	119.6	173.1	176.1	65.5	0	0	0	109.3	I77 V78 W136 F180 A181 T182 L183 I233 T235 M374	L30-I77 HydrophobicContact CD1-CG2 4.42Å; L30-I77 HydrophobicContact CD2-CG2 3.8Å; L30-V78 HydrophobicContact CD2-CG1 4.04Å; L30-W136 HydrophobicContact CD2-CH2 3.42Å; L30-W136 VanDerWaalsContact CD2-CH2 3.42Å; L30-W136 HydrophobicContact CD2-CZ2 3.93Å; L30-W136 HydrophobicContact CD2-CZ3 3.74Å; L30-W136 HydrophobicContact CG-CH2 3.8Å; L30-W136 HydrophobicContact CG-CZ3 3.71Å; L30-F180 HydrophobicContact CB-CE2 4.21Å; L30-F180 HydrophobicContact CB-CZ 4.31Å; L30-F180 HydrophobicContact CD2-CZ 4.26Å; L30-A181 PolarHBondContact N-O 3.35Å; L30-T182 HydrophobicContact CB-CG2 4.33Å; L30-T182 HydrophobicContact CD2-CG2 4.28Å; L30-T182 CarbonylContact O-C 3.5Å; L30-T182 VanDerWaalsContact O-CA 3.29Å; L30-T182 WeakPolarHBondContact O-CA 3.27Å; L30-L183 PolarHBondContact O-N 3.31Å; L30-I233 HydrophobicContact CD1-CB 3.92Å; L30-I233 HydrophobicContact CD1-CG2 3.71Å; L30-T235 HydrophobicContact CD1-CG2 3.89Å; L30-M374 HydrophobicContact CB-SD 4.49Å; L30-M374 HydrophobicContact CD1-SD 4.29Å; L30-M374 HydrophobicContact CD2-CE 4.17Å; L30-M374 HydrophobicContact CD2-SD 3.9Å; L30-M374 HydrophobicContact CG-SD 4.46Å
31	V	99	Very high	90.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	127.3	-178.5	-170.8	0	0	0	0	109.2	L29 F33 L183 L217 V232 I233 I234 T235	L29-V31 HydrophobicContact CD1-CG2 4.31Å; L29-V31 HydrophobicContact CD2-CG2 4.03Å; L29-V31 HydrophobicContact CG-CG2 3.78Å; V31-F33 HydrophobicContact CG1-CD2 4.27Å; V31-F33 HydrophobicContact CG1-CE2 3.8Å; V31-F33 HydrophobicContact CG1-CZ 4.23Å; V31-L183 CarbonylContact C-O 3.4Å; V31-L183 VanDerWaalsContact CA-O 3.31Å; V31-L183 WeakPolarHBondContact CA-O 3.36Å; V31-L183 HydrophobicContact CG1-CB 4.35Å; V31-L183 HydrophobicContact CG1-CD2 4.1Å; V31-L183 HydrophobicContact CG1-CG 4.22Å; V31-L183 HydrophobicContact CG2-CB 4.3Å; V31-L183 HydrophobicContact CG2-CD2 4.35Å; V31-L217 HydrophobicContact CG2-CD2 4.07Å; V31-V232 HydrophobicContact CG2-CG1 4.28Å; V31-I233 PolarHBondContact N-O 3.1Å; V31-I234 HydrophobicContact CB-CG1 4.3Å; V31-T235 PolarHBondContact O-N 2.72Å
32	S	98.9	Very high	93.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	128	171.4	-171.6	0	0	0	0	110.7	H74 W136 L183 Y184 W185 T235	S32-H74 WeakPolarHBondContact CB-NE2 3.27Å; S32-H74 PolarHBondContact OG-NE2 3.47Å; S32-W136 VanDerWaalsContact CB-CZ3 3.47Å; S32-L183 PolarHBondContact N-O 2.93Å; S32-Y184 WeakPolarHBondContact O-CA 3.46Å; S32-W185 PolarHBondContact O-N 2.89Å; S32-T235 WeakPolarHBondContact CA-O 3.44Å
33	F	98.9	Very high	95.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	109.7	163.7	-68.3	-79.4	0	0	0	106.9	V31 F36 F160 W185 E187 I210 L213 I214 I234 T235 S236	V31-F33 HydrophobicContact CG1-CD2 4.27Å; V31-F33 HydrophobicContact CG1-CE2 3.8Å; V31-F33 HydrophobicContact CG1-CZ 4.23Å; F33-F36 HydrophobicContact CB-CD2 4.09Å; F33-F160 HydrophobicContact CE1-CD2 4.48Å; F33-F160 AromaticContact CE1-CE2 3.73Å; F33-F160 HydrophobicContact CE1-CE2 3.73Å; F33-F160 HydrophobicContact CE1-CZ 4.13Å; F33-F160 AromaticContact CZ-CE2 3.99Å; F33-F160 HydrophobicContact CZ-CE2 3.99Å; F33-F160 AromaticContact CZ-CZ 3.98Å; F33-F160 HydrophobicContact CZ-CZ 3.98Å; F33-W185 HydrophobicContact CD1-CB 3.8Å; F33-W185 AromaticContact CD1-CD1 3.86Å; F33-W185 HydrophobicContact CD1-CG 4.16Å; F33-W185 HydrophobicContact CE1-CB 4.09Å; F33-W185 HydrophobicContact CE1-CG 4.34Å; F33-E187 WeakPolarHBondContact CB-O 3.48Å; F33-I210 HydrophobicContact CB-CG2 4.47Å; F33-I210 HydrophobicContact CD1-CD1 3.96Å; F33-I210 HydrophobicContact CD1-CG2 3.88Å; F33-I210 HydrophobicContact CD2-CG2 4.33Å; F33-I210 HydrophobicContact CE1-CD1 4.42Å; F33-I210 HydrophobicContact CE1-CG2 4.14Å; F33-I210 HydrophobicContact CG-CG2 3.98Å; F33-I210 HydrophobicContact CZ-CG2 4.47Å; F33-L213 HydrophobicContact CE1-CB 4.26Å; F33-L213 HydrophobicContact CE1-CD1 4.27Å; F33-L213 HydrophobicContact CZ-CB 4.42Å; F33-I214 HydrophobicContact CE2-CD1 4.14Å; F33-I214 HydrophobicContact CE2-CG1 3.66Å; F33-I214 HydrophobicContact CZ-CG1 3.84Å; F33-I234 HydrophobicContact CD2-CG2 3.91Å; F33-I234 HydrophobicContact CE2-CG2 3.95Å; F33-T235 PolarHBondContact N-O 2.91Å; F33-S236 WeakPolarHBondContact O-CB 3.45Å; F33-S236 PolarHBondContact O-OG 3.28Å
34	D	98.9	Very high	97.6	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	137.6	-170.3	-157.5	-55.9	0	0	0	112	F36 T70 H74 Y184 W185 E187 P188 D189 H238	D34-F36 VanDerWaalsContact C-N 3.31Å; D34-F36 PolarHBondContact O-N 2.95Å; D34-T70 WeakPolarHBondContact OD2-CG2 3.3Å; D34-H74 IonicContact OD2-CE1 3.39Å; D34-Y184 HydrophobicContact CB-CE2 3.87Å; D34-Y184 WeakPolarHBondContact OD2-CE2 3.47Å; D34-Y184 PolarHBondContact OD2-OH 3.49Å; D34-Y184 VanDerWaalsContact OD2-OH 3.11Å; D34-W185 WeakPolarHBondContact CB-O 3.35Å; D34-W185 PolarHBondContact N-O 2.88Å; D34-E187 CarbonylContact O-C 3.41Å; D34-P188 WeakPolarHBondContact O-CD 3.47Å; D34-D189 HydrophobicContact CB-CB 3.83Å; D34-D189 WeakPolarHBondContact O-CB 3.49Å; D34-D189 PolarHBondContact O-N 3Å; D34-D189 VanDerWaalsContact OD1-CB 3.24Å; D34-D189 WeakPolarHBondContact OD1-CB 3.35Å; D34-H238 IonicContact OD1-CE1 3.19Å; D34-H238 PolarHBondContact OD1-CE1 3.29Å; D34-H238 VanDerWaalsContact OD1-CE1 3.32Å; D34-H238 IonicContact OD1-NE2 2.65Å; D34-H238 PolarHBondContact OD1-NE2 3.14Å
35	G	98.8	Very high	98.4	Very high	1 Å²	1	33 Å²	33	1%	0.01	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	22.6	174.1	0	0	0	0	0	115.7	R37 S236 D237 H238	G35-R37 PolarHBondContact O-N 3.35Å; G35-S236 PolarHBondContact N-OG 2.98Å; G35-D237 PolarHBondContact N-OD1 3.01Å; G35-D237 VanDerWaalsContact N-OD1 3.11Å; G35-H238 CarbonylContact C-O 3.59Å; G35-H238 VanDerWaalsContact C-O 3.24Å; G35-H238 VanDerWaalsContact CA-O 3.3Å; G35-H238 WeakPolarHBondContact CA-O 3.4Å
36	F	98.9	Very high	98.7	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.15	C	C	.	.			trans	-80.3	85.5	178.5	-157.1	-37.8	0	0	0	111	F33 D34 A38 Y40 L41 F46 L49 P188 I210 S236 H238 P347 F348	F33-F36 HydrophobicContact CB-CD2 4.09Å; D34-F36 VanDerWaalsContact C-N 3.31Å; D34-F36 PolarHBondContact O-N 2.95Å; F36-A38 PolarHBondContact O-N 3.49Å; F36-Y40 AromaticContact CD1-CD2 3.86Å; F36-Y40 HydrophobicContact CD1-CD2 3.86Å; F36-Y40 HydrophobicContact CE1-CD2 4.19Å; F36-L41 HydrophobicContact CE1-CD2 3.81Å; F36-L41 HydrophobicContact CE1-CG 4.35Å; F36-L41 HydrophobicContact CZ-CD2 3.84Å; F36-F46 HydrophobicContact CE1-CE1 4.28Å; F36-F46 AromaticContact CE1-CZ 3.96Å; F36-F46 HydrophobicContact CE1-CZ 3.96Å; F36-F46 HydrophobicContact CE2-CE1 4.12Å; F36-F46 HydrophobicContact CZ-CD1 4.12Å; F36-F46 AromaticContact CZ-CE1 3.43Å; F36-F46 HydrophobicContact CZ-CE1 3.43Å; F36-F46 VanDerWaalsContact CZ-CE1 3.43Å; F36-F46 HydrophobicContact CZ-CE2 4.37Å; F36-F46 AromaticContact CZ-CZ 3.58Å; F36-F46 HydrophobicContact CZ-CZ 3.58Å; F36-L49 HydrophobicContact CZ-CD2 4.31Å; F36-P188 HydrophobicContact CB-CG 4.01Å; F36-P188 HydrophobicContact CD2-CG 4.44Å; F36-P188 HydrophobicContact CG-CG 4.17Å; F36-I210 HydrophobicContact CD2-CG2 4.03Å; F36-I210 HydrophobicContact CE2-CG2 3.67Å; F36-S236 PolarHBondContact N-OG 2.92Å; F36-H238 PolarHBondContact N-O 3.46Å; F36-P347 WeakPolarHBondContact O-CA 3.45Å; F36-F348 HydrophobicContact CB-CE1 4.26Å; F36-F348 AromaticContact CD1-CD1 3.86Å; F36-F348 HydrophobicContact CD1-CD1 3.86Å; F36-F348 AromaticContact CD1-CE1 3.58Å; F36-F348 HydrophobicContact CD1-CE1 3.58Å; F36-F348 AromaticContact CD2-CE1 3.7Å; F36-F348 HydrophobicContact CD2-CE1 3.7Å; F36-F348 HydrophobicContact CD2-CZ 4.41Å; F36-F348 HydrophobicContact CE1-CD1 4.1Å; F36-F348 AromaticContact CE1-CE1 3.67Å; F36-F348 HydrophobicContact CE1-CE1 3.67Å; F36-F348 AromaticContact CE2-CE1 3.77Å; F36-F348 HydrophobicContact CE2-CE1 3.77Å; F36-F348 HydrophobicContact CE2-CZ 4.2Å; F36-F348 HydrophobicContact CG-CD1 4.18Å; F36-F348 AromaticContact CG-CE1 3.59Å; F36-F348 HydrophobicContact CG-CE1 3.59Å; F36-F348 AromaticContact CZ-CE1 3.76Å; F36-F348 HydrophobicContact CZ-CE1 3.76Å; F36-F348 HydrophobicContact CZ-CZ 4.28Å
37	R	98.9	Very high	98.8	Very high	43 Å²	43	31.7 Å²	31.7	16%	0.162	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-55.1	132	174.1	-177.3	174.1	159.9	161.5	-1.5	112.4	G35 D39 Y40 M240 S344	G35-R37 PolarHBondContact O-N 3.35Å; R37-D39 WeakPolarHBondContact CD-OD1 3.4Å; R37-D39 WeakPolarHBondContact CG-OD1 3.34Å; R37-D39 IonicContact CZ-OD1 3.39Å; R37-D39 IonicContact CZ-OD2 3.3Å; R37-D39 IonicContact NE-OD1 2.98Å; R37-D39 PolarHBondContact NE-OD1 3.02Å; R37-D39 IonicContact NE-OD2 2.69Å; R37-D39 PolarHBondContact NE-OD2 3.25Å; R37-D39 VanDerWaalsContact NE-OD2 3.13Å; R37-D39 IonicContact NH2-OD1 3.36Å; R37-D39 IonicContact NH2-OD2 3.7Å; R37-D39 PolarHBondContact NH2-OD2 3.49Å; R37-D39 PolarHBondContact O-N 2.96Å; R37-Y40 HydrophobicContact CB-CD1 4.24Å; R37-Y40 HydrophobicContact CB-CD2 3.91Å; R37-Y40 HydrophobicContact CB-CE1 4.1Å; R37-Y40 HydrophobicContact CB-CE2 3.75Å; R37-Y40 HydrophobicContact CB-CG 4.17Å; R37-Y40 VanDerWaalsContact O-CB 3.27Å; R37-Y40 WeakPolarHBondContact O-CB 3.31Å; R37-Y40 WeakPolarHBondContact O-CD2 3.3Å; R37-Y40 PolarHBondContact O-N 3.33Å; R37-Y40 VanDerWaalsContact O-N 3.09Å; R37-M240 VanDerWaalsContact CD-O 3.26Å; R37-M240 WeakPolarHBondContact CD-O 3.18Å; R37-M240 PolarHBondContact NH1-O 3.28Å; R37-S344 WeakPolarHBondContact CD-O 3.41Å; R37-S344 VanDerWaalsContact NH1-CB 3.34Å
38	A	98.9	Very high	98.8	Very high	9 Å²	9	32.8 Å²	32.8	7%	0.074	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-44.4	-174.5	0	0	0	0	0	114.6	F36 Y40 L41 E60 H61 H346 F348	F36-A38 PolarHBondContact O-N 3.49Å; A38-Y40 PolarHBondContact O-N 2.96Å; A38-L41 WeakPolarHBondContact O-CB 3.48Å; A38-L41 WeakPolarHBondContact O-CG 3.46Å; A38-L41 PolarHBondContact O-N 3.44Å; A38-E60 WeakPolarHBondContact CB-O 3.47Å; A38-H61 HydrophobicContact CB-CB 3.86Å; A38-H346 WeakPolarHBondContact CB-O 3.16Å; A38-H346 PolarHBondContact N-O 3.27Å; A38-F348 HydrophobicContact CB-CB 4.38Å
39	D	98.6	Very high	98.8	Very high	45 Å²	45	32.8 Å²	32.8	24%	0.241	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-4.9	-176.2	72.3	0.9	0	0	0	114.1	R37 L41 K42 N43	R37-D39 WeakPolarHBondContact CD-OD1 3.4Å; R37-D39 WeakPolarHBondContact CG-OD1 3.34Å; R37-D39 IonicContact CZ-OD1 3.39Å; R37-D39 IonicContact CZ-OD2 3.3Å; R37-D39 IonicContact NE-OD1 2.98Å; R37-D39 PolarHBondContact NE-OD1 3.02Å; R37-D39 IonicContact NE-OD2 2.69Å; R37-D39 PolarHBondContact NE-OD2 3.25Å; R37-D39 VanDerWaalsContact NE-OD2 3.13Å; R37-D39 IonicContact NH2-OD1 3.36Å; R37-D39 IonicContact NH2-OD2 3.7Å; R37-D39 PolarHBondContact NH2-OD2 3.49Å; R37-D39 PolarHBondContact O-N 2.96Å; D39-L41 PolarHBondContact O-N 3.31Å; D39-K42 PolarHBondContact O-N 3.34Å; D39-N43 PolarHBondContact O-N 3.39Å; D39-N43 PolarHBondContact O-ND2 2.87Å
40	Y	98.9	Very high	98.7	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.016	18%	0.177	C	C	.	.	H	α-helix	trans	-55.9	-38.8	166.1	-69.1	-19.3	0	0	0	110.4	F36 R37 A38 K42 N43 Y44 F46 P188 P197 M203 L207	F36-Y40 AromaticContact CD1-CD2 3.86Å; F36-Y40 HydrophobicContact CD1-CD2 3.86Å; F36-Y40 HydrophobicContact CE1-CD2 4.19Å; R37-Y40 HydrophobicContact CB-CD1 4.24Å; R37-Y40 HydrophobicContact CB-CD2 3.91Å; R37-Y40 HydrophobicContact CB-CE1 4.1Å; R37-Y40 HydrophobicContact CB-CE2 3.75Å; R37-Y40 HydrophobicContact CB-CG 4.17Å; R37-Y40 VanDerWaalsContact O-CB 3.27Å; R37-Y40 WeakPolarHBondContact O-CB 3.31Å; R37-Y40 WeakPolarHBondContact O-CD2 3.3Å; R37-Y40 PolarHBondContact O-N 3.33Å; R37-Y40 VanDerWaalsContact O-N 3.09Å; A38-Y40 PolarHBondContact O-N 2.96Å; Y40-K42 PolarHBondContact O-N 2.95Å; Y40-N43 PolarHBondContact O-N 2.96Å; Y40-Y44 HydrophobicContact CD1-CD2 4.27Å; Y40-Y44 AromaticContact CD1-CE2 3.78Å; Y40-Y44 HydrophobicContact CD1-CE2 3.78Å; Y40-Y44 HydrophobicContact CE1-CE2 4.38Å; Y40-Y44 HydrophobicContact CG-CD2 4.45Å; Y40-Y44 HydrophobicContact CG-CE2 4.35Å; Y40-Y44 WeakPolarHBondContact O-CD2 3.28Å; Y40-Y44 PolarHBondContact O-N 2.86Å; Y40-F46 WeakPolarHBondContact O-CE2 3.43Å; Y40-P188 HydrophobicContact CE2-CG 4.29Å; Y40-P197 HydrophobicContact CE1-CB 4.1Å; Y40-P197 WeakPolarHBondContact OH-CB 3.46Å; Y40-M203 HydrophobicContact CE2-CE 4.29Å; Y40-L207 HydrophobicContact CD1-CD1 4.14Å; Y40-L207 HydrophobicContact CD2-CD1 3.93Å; Y40-L207 HydrophobicContact CD2-CD2 3.61Å; Y40-L207 HydrophobicContact CD2-CG 4.41Å; Y40-L207 HydrophobicContact CE2-CD1 4.41Å; Y40-L207 HydrophobicContact CE2-CD2 4.08Å; Y40-L207 HydrophobicContact CG-CD1 3.77Å; Y40-L207 HydrophobicContact CG-CD2 4.23Å
41	L	98.5	Very high	98.7	Very high	22 Å²	22	39.3 Å²	39.3	12%	0.115	19%	0.193	C	C	.	.	H	α-helix	trans	-58.5	-21.2	177	-59	-176	0	0	0	114.3	F36 A38 D39 F46 L49 L58 F348	F36-L41 HydrophobicContact CE1-CD2 3.81Å; F36-L41 HydrophobicContact CE1-CG 4.35Å; F36-L41 HydrophobicContact CZ-CD2 3.84Å; A38-L41 WeakPolarHBondContact O-CB 3.48Å; A38-L41 WeakPolarHBondContact O-CG 3.46Å; A38-L41 PolarHBondContact O-N 3.44Å; D39-L41 PolarHBondContact O-N 3.31Å; L41-F46 HydrophobicContact CD2-CD2 4.1Å; L41-F46 HydrophobicContact CD2-CE2 4.17Å; L41-F46 HydrophobicContact CD2-CG 4.49Å; L41-L49 HydrophobicContact CD2-CD2 3.4Å; L41-L49 VanDerWaalsContact CD2-CD2 3.4Å; L41-L58 HydrophobicContact CD1-CD1 4.01Å; L41-F348 HydrophobicContact CD1-CB 3.86Å; L41-F348 HydrophobicContact CD1-CD1 4.09Å; L41-F348 HydrophobicContact CD1-CD2 3.68Å; L41-F348 HydrophobicContact CD1-CE2 4.25Å; L41-F348 HydrophobicContact CD1-CG 3.59Å; L41-F348 HydrophobicContact CD2-CE1 4.39Å; L41-F348 HydrophobicContact CD2-CZ 4.44Å; L41-F348 HydrophobicContact CG-CD1 4.38Å; L41-F348 HydrophobicContact CG-CG 4.35Å
42	K	98.3	Very high	98.7	Very high	145 Å²	145	39.3 Å²	39.3	63%	0.63	19%	0.193	S	C	*	.	H	α-helix	trans	-96.5	-21.5	179.3	-61.4	-178.8	179.9	-178.4	0	112.2	D39 Y40 E60	D39-K42 PolarHBondContact O-N 3.34Å; Y40-K42 PolarHBondContact O-N 2.95Å; K42-E60 IonicContact NZ-OE2 3.8Å; K42-E60 PolarHBondContact NZ-OE2 3.47Å
43	N	98.2	Very high	98.7	Very high	84 Å²	84	39.5 Å²	39.5	45%	0.449	19%	0.194	S	C	.	.	H	α-helix	trans	-107	-13.3	-170.5	-71.3	-52.3	0	0	0	114	D39 Y40	D39-N43 PolarHBondContact O-N 3.39Å; D39-N43 PolarHBondContact O-ND2 2.87Å; Y40-N43 PolarHBondContact O-N 2.96Å
44	Y	98.6	Very high	98.6	Very high	31 Å²	31	47 Å²	47	12%	0.122	23%	0.227	C	C	.	.	S	Bend	trans	-136.9	158.8	-179	-54.4	-89	0	0	0	110.9	Y40 F46 K200 M203 L207	Y40-Y44 HydrophobicContact CD1-CD2 4.27Å; Y40-Y44 AromaticContact CD1-CE2 3.78Å; Y40-Y44 HydrophobicContact CD1-CE2 3.78Å; Y40-Y44 HydrophobicContact CE1-CE2 4.38Å; Y40-Y44 HydrophobicContact CG-CD2 4.45Å; Y40-Y44 HydrophobicContact CG-CE2 4.35Å; Y40-Y44 WeakPolarHBondContact O-CD2 3.28Å; Y40-Y44 PolarHBondContact O-N 2.86Å; Y44-F46 VanDerWaalsContact O-CD2 3.32Å; Y44-F46 WeakPolarHBondContact O-CD2 3.37Å; Y44-K200 HydrophobicContact CE1-CB 4.49Å; Y44-M203 HydrophobicContact CE1-CB 4.4Å; Y44-M203 WeakPolarHBondContact OH-CB 3.48Å; Y44-L207 HydrophobicContact CD1-CD1 4.12Å; Y44-L207 HydrophobicContact CD2-CD1 3.27Å; Y44-L207 HydrophobicContact CE1-CD1 4.23Å; Y44-L207 HydrophobicContact CE2-CD1 3.41Å; Y44-L207 VanDerWaalsContact CE2-CD1 3.41Å; Y44-L207 HydrophobicContact CG-CD1 3.65Å
45	E	98.5	Very high	98.5	Very high	163 Å²	163	50.4 Å²	50.4	76%	0.762	24%	0.243	S	C	*	.			trans	-86.7	129.6	179.3	-66.8	-62.4	147.8	0	0	111.2
46	F	98.8	Very high	98.5	Very high	1 Å²	1	50.4 Å²	50.4	0%	0.004	24%	0.243	C	C	.	.			trans	-131.2	67.8	177.9	-63.7	-91.9	0	0	0	111.5	F36 Y40 L41 Y44 H48 L49 Q50 L207 D211	F36-F46 HydrophobicContact CE1-CE1 4.28Å; F36-F46 AromaticContact CE1-CZ 3.96Å; F36-F46 HydrophobicContact CE1-CZ 3.96Å; F36-F46 HydrophobicContact CE2-CE1 4.12Å; F36-F46 HydrophobicContact CZ-CD1 4.12Å; F36-F46 AromaticContact CZ-CE1 3.43Å; F36-F46 HydrophobicContact CZ-CE1 3.43Å; F36-F46 VanDerWaalsContact CZ-CE1 3.43Å; F36-F46 HydrophobicContact CZ-CE2 4.37Å; F36-F46 AromaticContact CZ-CZ 3.58Å; F36-F46 HydrophobicContact CZ-CZ 3.58Å; Y40-F46 WeakPolarHBondContact O-CE2 3.43Å; L41-F46 HydrophobicContact CD2-CD2 4.1Å; L41-F46 HydrophobicContact CD2-CE2 4.17Å; L41-F46 HydrophobicContact CD2-CG 4.49Å; Y44-F46 VanDerWaalsContact O-CD2 3.32Å; Y44-F46 WeakPolarHBondContact O-CD2 3.37Å; F46-H48 VanDerWaalsContact C-N 3.27Å; F46-H48 PolarHBondContact O-N 2.81Å; F46-L49 HydrophobicContact CB-CB 3.86Å; F46-L49 HydrophobicContact CB-CD2 4.47Å; F46-L49 PolarHBondContact O-N 2.96Å; F46-Q50 VanDerWaalsContact O-CB 3.28Å; F46-Q50 WeakPolarHBondContact O-CB 3.35Å; F46-Q50 WeakPolarHBondContact O-CG 3.29Å; F46-Q50 PolarHBondContact O-N 3.33Å; F46-L207 HydrophobicContact CE1-CB 3.93Å; F46-L207 HydrophobicContact CE1-CD2 4.34Å; F46-L207 HydrophobicContact CZ-CB 3.79Å; F46-L207 HydrophobicContact CZ-CD1 4.24Å; F46-L207 HydrophobicContact CZ-CD2 4.06Å; F46-L207 HydrophobicContact CZ-CG 4.24Å; F46-D211 VanDerWaalsContact CA-CG 3.49Å; F46-D211 WeakPolarHBondContact CA-OD1 3.48Å; F46-D211 WeakPolarHBondContact CB-OD1 3.33Å; F46-D211 HydrophobicContact CD1-CB 3.82Å
47	P	98.7	Very high	98.5	Very high	72 Å²	72	50.4 Å²	50.4	47%	0.468	24%	0.243	S	C	.	.	H	α-helix	trans	-56	-36.8	-176.1	20.6	-33.3	0	0	0	114	N51 D211	P47-N51 WeakPolarHBondContact O-CB 3.49Å; P47-N51 PolarHBondContact O-N 2.92Å; P47-N51 VanDerWaalsContact O-N 3.07Å; P47-D211 WeakPolarHBondContact CD-OD2 3.25Å; P47-D211 VanDerWaalsContact CG-OD2 3.25Å; P47-D211 WeakPolarHBondContact CG-OD2 3.21Å
48	H	98.9	Very high	98.5	Very high	67 Å²	67	49 Å²	49	31%	0.31	24%	0.238	S	C	.	.	H	α-helix	trans	-73	-44.7	179.1	-64.1	-61.9	0	0	0	112	F46 N51 F52 D211 I214	F46-H48 VanDerWaalsContact C-N 3.27Å; F46-H48 PolarHBondContact O-N 2.81Å; H48-N51 WeakPolarHBondContact O-CB 3.47Å; H48-N51 PolarHBondContact O-N 3.49Å; H48-F52 PolarHBondContact O-N 3.45Å; H48-D211 VanDerWaalsContact CB-O 3.29Å; H48-D211 WeakPolarHBondContact CB-O 3.38Å; H48-D211 WeakPolarHBondContact CB-OD1 3.46Å; H48-D211 PolarHBondContact CD2-O 2.65Å; H48-D211 VanDerWaalsContact CD2-O 3.23Å; H48-D211 IonicContact CD2-OD2 2.79Å; H48-D211 PolarHBondContact CD2-OD2 3.03Å; H48-D211 IonicContact CG-OD2 3.86Å; H48-D211 PolarHBondContact N-OD1 3.01Å; H48-D211 PolarHBondContact N-OD2 3Å; H48-D211 VanDerWaalsContact N-OD2 3.14Å; H48-I214 HydrophobicContact CB-CG2 4.33Å
49	L	98.8	Very high	98.5	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-66.3	-37.8	175.3	-178.3	58.4	0	0	0	112	F36 L41 F46 N51 F52 I53 D211 I214 I234 F348 A350	F36-L49 HydrophobicContact CZ-CD2 4.31Å; L41-L49 HydrophobicContact CD2-CD2 3.4Å; L41-L49 VanDerWaalsContact CD2-CD2 3.4Å; F46-L49 HydrophobicContact CB-CB 3.86Å; F46-L49 HydrophobicContact CB-CD2 4.47Å; F46-L49 PolarHBondContact O-N 2.96Å; L49-N51 VanDerWaalsContact C-N 3.29Å; L49-N51 PolarHBondContact O-N 2.64Å; L49-F52 HydrophobicContact CD1-CD1 4.31Å; L49-F52 WeakPolarHBondContact O-CB 3.44Å; L49-F52 PolarHBondContact O-N 2.96Å; L49-I53 HydrophobicContact CD1-CD1 4.16Å; L49-I53 HydrophobicContact CD1-CG1 4.31Å; L49-I53 HydrophobicContact CD2-CD1 4.49Å; L49-I53 HydrophobicContact CG-CD1 3.81Å; L49-I53 HydrophobicContact CG-CG1 4.42Å; L49-I53 WeakPolarHBondContact O-CB 3.47Å; L49-I53 WeakPolarHBondContact O-CD1 3.21Å; L49-I53 VanDerWaalsContact O-CG1 3.28Å; L49-I53 WeakPolarHBondContact O-CG1 3.47Å; L49-I53 PolarHBondContact O-N 3.29Å; L49-D211 PolarHBondContact N-OD1 3.23Å; L49-I214 HydrophobicContact CB-CD1 4.02Å; L49-I214 HydrophobicContact CB-CG2 4.34Å; L49-I214 HydrophobicContact CD1-CD1 4.21Å; L49-I214 HydrophobicContact CD2-CD1 4.27Å; L49-I214 HydrophobicContact CG-CD1 4.37Å; L49-I234 HydrophobicContact CD1-CD1 4.45Å; L49-F348 HydrophobicContact CD1-CE2 4.23Å; L49-F348 HydrophobicContact CD1-CZ 4.37Å; L49-F348 HydrophobicContact CD2-CE2 3.93Å; L49-F348 HydrophobicContact CD2-CZ 3.66Å; L49-A350 HydrophobicContact CD1-CB 4.18Å
50	Q	98.6	Very high	98.5	Very high	75 Å²	75	49.6 Å²	49.6	35%	0.35	24%	0.238	S	C	.	.	H	α-helix	trans	-62.6	-37.5	174.5	-71.6	-65.5	-22.8	0	0	111.4	F46 I53 K54	F46-Q50 VanDerWaalsContact O-CB 3.28Å; F46-Q50 WeakPolarHBondContact O-CB 3.35Å; F46-Q50 WeakPolarHBondContact O-CG 3.29Å; F46-Q50 PolarHBondContact O-N 3.33Å; Q50-I53 PolarHBondContact O-N 3.44Å; Q50-K54 WeakPolarHBondContact O-CB 3.44Å; Q50-K54 PolarHBondContact O-N 3.31Å
51	N	98.4	Very high	98.5	Very high	63 Å²	63	52.1 Å²	52.1	34%	0.337	25%	0.25	S	C	.	.	H	α-helix	trans	-64.4	-43.4	172.5	-175.9	82.2	0	0	0	111.9	P47 H48 L49 I53 K54	P47-N51 WeakPolarHBondContact O-CB 3.49Å; P47-N51 PolarHBondContact O-N 2.92Å; P47-N51 VanDerWaalsContact O-N 3.07Å; H48-N51 WeakPolarHBondContact O-CB 3.47Å; H48-N51 PolarHBondContact O-N 3.49Å; L49-N51 VanDerWaalsContact C-N 3.29Å; L49-N51 PolarHBondContact O-N 2.64Å; N51-I53 VanDerWaalsContact C-N 3.35Å; N51-I53 PolarHBondContact O-N 2.92Å; N51-K54 PolarHBondContact O-N 3.46Å
52	F	98.8	Very high	98.5	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-58.5	-45.3	174.7	179.8	-84.6	0	0	0	111.7	H48 L49 G56 V218 W227 V232 I234 A350 H352	H48-F52 PolarHBondContact O-N 3.45Å; L49-F52 HydrophobicContact CD1-CD1 4.31Å; L49-F52 WeakPolarHBondContact O-CB 3.44Å; L49-F52 PolarHBondContact O-N 2.96Å; F52-G56 PolarHBondContact O-N 2.69Å; F52-V218 HydrophobicContact CD2-CG2 4.07Å; F52-W227 AromaticContact CD2-CH2 3.62Å; F52-W227 HydrophobicContact CD2-CH2 3.62Å; F52-W227 AromaticContact CD2-CZ3 3.89Å; F52-W227 HydrophobicContact CD2-CZ3 3.89Å; F52-W227 HydrophobicContact CE2-CH2 4.14Å; F52-W227 HydrophobicContact CE2-CZ3 4.11Å; F52-W227 HydrophobicContact CG-CH2 4.46Å; F52-V232 HydrophobicContact CE2-CB 4.04Å; F52-V232 HydrophobicContact CE2-CG1 3.98Å; F52-V232 HydrophobicContact CZ-CB 4.04Å; F52-V232 HydrophobicContact CZ-CG1 4.03Å; F52-I234 HydrophobicContact CD1-CD1 4.18Å; F52-I234 HydrophobicContact CD2-CD1 3.98Å; F52-I234 HydrophobicContact CE1-CD1 4.02Å; F52-I234 HydrophobicContact CE1-CG1 4.24Å; F52-I234 HydrophobicContact CE2-CD1 3.82Å; F52-I234 HydrophobicContact CE2-CG1 4.32Å; F52-I234 HydrophobicContact CG-CD1 4.17Å; F52-I234 HydrophobicContact CZ-CD1 3.84Å; F52-I234 HydrophobicContact CZ-CG1 3.96Å; F52-A350 HydrophobicContact CD1-CB 3.99Å; F52-A350 HydrophobicContact CE1-CB 3.85Å; F52-H352 HydrophobicContact CD1-CB 4.4Å; F52-H352 HydrophobicContact CD2-CB 4.05Å; F52-H352 HydrophobicContact CE1-CB 3.93Å; F52-H352 HydrophobicContact CE2-CB 3.52Å; F52-H352 HydrophobicContact CG-CB 4.45Å; F52-H352 HydrophobicContact CZ-CB 3.45Å; F52-H352 VanDerWaalsContact CZ-CB 3.45Å
53	I	98.6	Very high	98.6	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-66.1	-40.3	178.6	-69.9	161.5	0	0	0	111.9	L49 Q50 N51 E55 G56 L58 A350	L49-I53 HydrophobicContact CD1-CD1 4.16Å; L49-I53 HydrophobicContact CD1-CG1 4.31Å; L49-I53 HydrophobicContact CD2-CD1 4.49Å; L49-I53 HydrophobicContact CG-CD1 3.81Å; L49-I53 HydrophobicContact CG-CG1 4.42Å; L49-I53 WeakPolarHBondContact O-CB 3.47Å; L49-I53 WeakPolarHBondContact O-CD1 3.21Å; L49-I53 VanDerWaalsContact O-CG1 3.28Å; L49-I53 WeakPolarHBondContact O-CG1 3.47Å; L49-I53 PolarHBondContact O-N 3.29Å; Q50-I53 PolarHBondContact O-N 3.44Å; N51-I53 VanDerWaalsContact C-N 3.35Å; N51-I53 PolarHBondContact O-N 2.92Å; I53-E55 PolarHBondContact O-N 2.94Å; I53-G56 CarbonylContact O-C 3.52Å; I53-G56 VanDerWaalsContact O-C 3.3Å; I53-G56 PolarHBondContact O-N 3.3Å; I53-L58 HydrophobicContact CD1-CB 4.46Å; I53-L58 HydrophobicContact CD1-CD1 3.97Å; I53-L58 HydrophobicContact CD1-CD2 4.24Å; I53-L58 HydrophobicContact CD1-CG 4.46Å; I53-L58 HydrophobicContact CG1-CB 4.28Å; I53-L58 HydrophobicContact CG1-CD1 4.44Å; I53-L58 HydrophobicContact CG2-CB 3.75Å; I53-L58 HydrophobicContact CG2-CD2 4.43Å; I53-A350 HydrophobicContact CD1-CB 4.42Å; I53-A350 HydrophobicContact CG1-CB 3.8Å
54	K	98.1	Very high	98.6	Very high	157 Å²	157	43.8 Å²	43.8	68%	0.683	21%	0.209	S	C	*	.	H	α-helix	trans	-57.3	-36	-177.8	-178.6	-176.7	175.3	-172.3	0	112.3	Q50 N51 G359	Q50-K54 WeakPolarHBondContact O-CB 3.44Å; Q50-K54 PolarHBondContact O-N 3.31Å; N51-K54 PolarHBondContact O-N 3.46Å; K54-G359 WeakPolarHBondContact O-CA 3.09Å; K54-G359 PolarHBondContact O-N 3.49Å
55	E	96.6	Very high	98.6	Very high	73 Å²	73	42.5 Å²	42.5	34%	0.341	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	5.3	178.8	-63.1	-175.3	164.9	0	0	112.9	I53 H352 K358	I53-E55 PolarHBondContact O-N 2.94Å; E55-H352 PolarHBondContact O-CD2 2.95Å; E55-K358 WeakPolarHBondContact O-CG 3.44Å
56	G	98.6	Very high	98.6	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.01	17%	0.168	C	C	.	.	S	Bend	trans	-141.1	-143.3	-175.1	0	0	0	0	0	112.9	F52 I53 A351 H357 K358 G359 Y360	F52-G56 PolarHBondContact O-N 2.69Å; I53-G56 CarbonylContact O-C 3.52Å; I53-G56 VanDerWaalsContact O-C 3.3Å; I53-G56 PolarHBondContact O-N 3.3Å; G56-A351 CarbonylContact C-O 3.35Å; G56-A351 VanDerWaalsContact CA-O 3.23Å; G56-A351 WeakPolarHBondContact CA-O 3.41Å; G56-H357 CarbonylContact C-O 3.57Å; G56-H357 VanDerWaalsContact CA-O 3.32Å; G56-H357 WeakPolarHBondContact CA-O 3.45Å; G56-H357 VanDerWaalsContact O-O 3.13Å; G56-K358 CarbonylContact O-C 3.24Å; G56-G359 WeakPolarHBondContact O-CA 3.44Å; G56-G359 PolarHBondContact O-N 3Å; G56-Y360 PolarHBondContact O-N 2.83Å
57	V	98.8	Very high	98.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	153.9	179.2	-54.8	0	0	0	0	111.9	A350 A351 F356 H357 Y360 L395	V57-A350 CarbonylContact O-C 3.46Å; V57-A350 VanDerWaalsContact O-CA 3.26Å; V57-A350 WeakPolarHBondContact O-CA 3.16Å; V57-A351 HydrophobicContact CG2-CB 3.8Å; V57-A351 PolarHBondContact N-O 2.88Å; V57-A351 PolarHBondContact O-N 3.39Å; V57-F356 HydrophobicContact CG1-CB 4.29Å; V57-F356 HydrophobicContact CG2-CB 4.46Å; V57-F356 HydrophobicContact CG2-CD1 3.97Å; V57-F356 HydrophobicContact CG2-CG 4.44Å; V57-H357 HydrophobicContact CG1-CB 3.95Å; V57-H357 WeakPolarHBondContact CG1-O 3.38Å; V57-Y360 CarbonylContact C-O 3.53Å; V57-Y360 VanDerWaalsContact CA-O 3.22Å; V57-Y360 WeakPolarHBondContact CA-O 2.99Å; V57-Y360 HydrophobicContact CG1-CD1 4.37Å; V57-L395 HydrophobicContact CB-CD2 4.24Å; V57-L395 HydrophobicContact CG2-CB 4.29Å; V57-L395 HydrophobicContact CG2-CD2 4.21Å
58	L	98.9	Very high	98.7	Very high	12 Å²	12	31.4 Å²	31.4	6%	0.063	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	131	170.3	173	68.7	0	0	0	109.9	L41 I53 E60 F348 L349 A350 Y360 K361 H362	L41-L58 HydrophobicContact CD1-CD1 4.01Å; I53-L58 HydrophobicContact CD1-CB 4.46Å; I53-L58 HydrophobicContact CD1-CD1 3.97Å; I53-L58 HydrophobicContact CD1-CD2 4.24Å; I53-L58 HydrophobicContact CD1-CG 4.46Å; I53-L58 HydrophobicContact CG1-CB 4.28Å; I53-L58 HydrophobicContact CG1-CD1 4.44Å; I53-L58 HydrophobicContact CG2-CB 3.75Å; I53-L58 HydrophobicContact CG2-CD2 4.43Å; L58-E60 HydrophobicContact CD2-CG 4.43Å; L58-F348 HydrophobicContact CD1-CD2 3.89Å; L58-L349 CarbonylContact C-O 3.57Å; L58-A350 HydrophobicContact CD1-CB 4.4Å; L58-Y360 PolarHBondContact N-O 3.44Å; L58-K361 HydrophobicContact CB-CG 4.39Å; L58-K361 CarbonylContact O-C 3.42Å; L58-K361 WeakPolarHBondContact O-CA 3.29Å; L58-H362 PolarHBondContact O-N 2.95Å
59	V	98.9	Very high	98.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	117.2	156.9	-175.1	0	0	0	0	107.4	H61 V62 L349 H362 I365 L395	V59-H61 VanDerWaalsContact C-N 3.32Å; V59-H61 WeakPolarHBondContact CG1-O 3.27Å; V59-H61 PolarHBondContact O-N 2.84Å; V59-V62 HydrophobicContact CG1-CG2 4.23Å; V59-L349 HydrophobicContact CB-CB 4.25Å; V59-L349 HydrophobicContact CG2-CB 4.49Å; V59-L349 HydrophobicContact CG2-CD2 4.17Å; V59-L349 PolarHBondContact N-O 3.22Å; V59-L349 PolarHBondContact O-N 3.44Å; V59-H362 WeakPolarHBondContact CA-O 3.47Å; V59-H362 HydrophobicContact CG2-CB 4.43Å; V59-I365 HydrophobicContact CG1-CG1 4.18Å; V59-I365 HydrophobicContact CG1-CG2 4.35Å; V59-I365 HydrophobicContact CG2-CD1 4.28Å; V59-I365 HydrophobicContact CG2-CG1 4.43Å; V59-I365 HydrophobicContact CG2-CG2 4.25Å; V59-L395 HydrophobicContact CG2-CD1 3.88Å; V59-L395 HydrophobicContact CG2-CD2 4Å
60	E	98.8	Very high	98.7	Very high	68 Å²	68	29.5 Å²	29.5	32%	0.318	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	-38.9	-172.5	-66.8	-162.7	-178.2	0	0	113.2	A38 K42 L58 H362 S363	A38-E60 WeakPolarHBondContact CB-O 3.47Å; K42-E60 IonicContact NZ-OE2 3.8Å; K42-E60 PolarHBondContact NZ-OE2 3.47Å; L58-E60 HydrophobicContact CD2-CG 4.43Å; E60-H362 PolarHBondContact N-O 3.41Å; E60-S363 PolarHBondContact N-O 2.95Å
61	H	98.8	Very high	98.7	Very high	57 Å²	57	27 Å²	27	26%	0.264	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	139.6	174.2	56.1	-78.5	0	0	0	110.8	A38 V59 H346 P347 S363 T364	A38-H61 HydrophobicContact CB-CB 3.86Å; V59-H61 VanDerWaalsContact C-N 3.32Å; V59-H61 WeakPolarHBondContact CG1-O 3.27Å; V59-H61 PolarHBondContact O-N 2.84Å; H61-H346 HydrophobicContact CB-CB 4.13Å; H61-H346 AromaticContact CD2-ND1 3.97Å; H61-P347 CarbonylContact C-O 3.3Å; H61-P347 WeakPolarHBondContact CA-O 3.44Å; H61-S363 PolarHBondContact CE1-O 3.27Å; H61-S363 PolarHBondContact N-O 2.6Å; H61-S363 PolarHBondContact ND1-O 3.44Å; H61-T364 PolarHBondContact CD2-OG1 3.35Å; H61-T364 WeakPolarHBondContact NE2-CB 3.13Å; H61-T364 WeakPolarHBondContact O-CA 3.42Å; H61-T364 VanDerWaalsContact O-CB 3.29Å; H61-T364 WeakPolarHBondContact O-CB 3.46Å; H61-T364 PolarHBondContact O-OG1 3.47Å
62	V	98.9	Very high	98.7	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	123.6	177.4	177.6	0	0	0	0	107.9	V59 N64 H346 P347 L349 I365 I367	V59-V62 HydrophobicContact CG1-CG2 4.23Å; V62-N64 PolarHBondContact O-N 2.85Å; V62-N64 VanDerWaalsContact O-N 3.16Å; V62-H346 WeakPolarHBondContact O-CB 3.5Å; V62-P347 HydrophobicContact CB-CG 4.21Å; V62-P347 PolarHBondContact N-O 3.44Å; V62-P347 WeakPolarHBondContact O-CD 3.43Å; V62-L349 HydrophobicContact CG2-CB 3.75Å; V62-I365 WeakPolarHBondContact CA-O 3.22Å; V62-I365 HydrophobicContact CG1-CG1 4.28Å; V62-I365 HydrophobicContact CG2-CG1 4.12Å; V62-I367 HydrophobicContact CG1-CB 3.76Å; V62-I367 HydrophobicContact CG1-CG1 4.18Å
63	K	98.9	Very high	98.7	Very high	72 Å²	72	24 Å²	24	31%	0.313	11%	0.11	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	110.3	171.5	-174.2	-178	179.1	-176.4	0	108.6	I365 N366 I367	K63-I365 PolarHBondContact N-O 3.44Å; K63-N366 CarbonylContact O-C 3.1Å; K63-N366 WeakPolarHBondContact O-CA 3.43Å; K63-I367 PolarHBondContact O-N 2.82Å
64	N	98.9	Very high	98.7	Very high	3 Å²	3	23.8 Å²	23.8	2%	0.016	11%	0.109	C	C	.	.			trans	-85.7	-174.4	-179.2	69.1	-19.1	0	0	0	112.3	V62 T68 N73 D237 H238 N340 M345 P347 I367	V62-N64 PolarHBondContact O-N 2.85Å; V62-N64 VanDerWaalsContact O-N 3.16Å; N64-T68 WeakPolarHBondContact OD1-CG2 3.33Å; N64-N73 VanDerWaalsContact CB-OD1 3.3Å; N64-N73 WeakPolarHBondContact CB-OD1 3.01Å; N64-D237 PolarHBondContact ND2-O 2.95Å; N64-H238 WeakPolarHBondContact ND2-CB 3.29Å; N64-N340 WeakPolarHBondContact O-CB 3.4Å; N64-N340 PolarHBondContact O-ND2 3.29Å; N64-M345 PolarHBondContact ND2-O 2.96Å; N64-P347 HydrophobicContact CB-CG 4.47Å; N64-I367 HydrophobicContact CB-CB 4.34Å; N64-I367 HydrophobicContact CB-CD1 3.88Å; N64-I367 HydrophobicContact CB-CG2 4.33Å
65	V	98.9	Very high	98.8	Very high	5 Å²	5	16.4 Å²	16.4	3%	0.03	8%	0.077	C	C	.	.	P	Polyproline II helix	trans	-102.4	155.3	-177.1	-65.5	0	0	0	0	111.5	I67 T68 N73 S76 Y82 E83 I367 V368	V65-I67 CarbonylContact O-C 3.54Å; V65-T68 VanDerWaalsContact O-CG2 3.3Å; V65-T68 WeakPolarHBondContact O-CG2 3.39Å; V65-T68 PolarHBondContact O-N 2.92Å; V65-N73 WeakPolarHBondContact CG2-OD1 3.44Å; V65-N73 PolarHBondContact N-OD1 2.75Å; V65-N73 PolarHBondContact O-ND2 3.24Å; V65-N73 PolarHBondContact O-OD1 3.05Å; V65-S76 WeakPolarHBondContact CG2-OG 3.45Å; V65-Y82 HydrophobicContact CG1-CD1 3.66Å; V65-Y82 HydrophobicContact CG1-CE1 4.09Å; V65-E83 HydrophobicContact CB-CG 4.29Å; V65-E83 HydrophobicContact CG2-CG 3.75Å; V65-E83 WeakPolarHBondContact CG2-OE1 3.45Å; V65-I367 HydrophobicContact CG1-CG2 3.74Å; V65-I367 HydrophobicContact CG2-CG2 4.49Å; V65-V368 HydrophobicContact CG1-CG1 4.04Å
66	F	98.9	Very high	98.9	Very high	1 Å²	1	12.9 Å²	12.9	0%	0.004	6%	0.06	C	C	.	.	S	Bend	trans	-93.5	132.9	174.8	177.1	-90.2	0	0	0	109	E83 V268 F303 Y305 I315 V317 N340	F66-E83 VanDerWaalsContact O-OE1 3.13Å; F66-V268 HydrophobicContact CE2-CG2 3.85Å; F66-V268 HydrophobicContact CZ-CG1 4.24Å; F66-V268 HydrophobicContact CZ-CG2 3.77Å; F66-F303 HydrophobicContact CB-CB 4.11Å; F66-F303 HydrophobicContact CB-CD1 3.59Å; F66-F303 HydrophobicContact CB-CE1 4.26Å; F66-F303 HydrophobicContact CB-CG 4.1Å; F66-F303 HydrophobicContact CD1-CB 3.71Å; F66-F303 AromaticContact CD1-CD1 3.96Å; F66-F303 HydrophobicContact CD1-CD1 3.96Å; F66-F303 HydrophobicContact CD1-CD2 4.11Å; F66-F303 AromaticContact CD1-CG 3.7Å; F66-F303 HydrophobicContact CD1-CG 3.7Å; F66-F303 AromaticContact CD2-CD1 3.87Å; F66-F303 HydrophobicContact CD2-CD1 3.87Å; F66-F303 AromaticContact CD2-CE1 3.78Å; F66-F303 HydrophobicContact CD2-CE1 3.78Å; F66-F303 HydrophobicContact CD2-CG 4.37Å; F66-F303 HydrophobicContact CD2-CZ 4.22Å; F66-F303 HydrophobicContact CE1-CB 4.4Å; F66-F303 HydrophobicContact CE1-CD2 4.09Å; F66-F303 HydrophobicContact CE1-CE2 4.49Å; F66-F303 HydrophobicContact CE1-CG 4.16Å; F66-F303 HydrophobicContact CE2-CE1 4.23Å; F66-F303 HydrophobicContact CE2-CE2 4.46Å; F66-F303 HydrophobicContact CE2-CZ 4.2Å; F66-F303 HydrophobicContact CG-CB 4.07Å; F66-F303 AromaticContact CG-CD1 3.52Å; F66-F303 HydrophobicContact CG-CD1 3.52Å; F66-F303 HydrophobicContact CG-CD2 4.42Å; F66-F303 AromaticContact CG-CE1 3.95Å; F66-F303 HydrophobicContact CG-CE1 3.95Å; F66-F303 AromaticContact CG-CG 3.79Å; F66-F303 HydrophobicContact CG-CG 3.79Å; F66-F303 HydrophobicContact CZ-CD2 4.4Å; F66-F303 HydrophobicContact CZ-CE2 4.34Å; F66-Y305 HydrophobicContact CD1-CD1 4.18Å; F66-Y305 HydrophobicContact CD1-CD2 4.15Å; F66-Y305 AromaticContact CD1-CG 3.81Å; F66-Y305 HydrophobicContact CD1-CG 3.81Å; F66-Y305 AromaticContact CE1-CD1 3.89Å; F66-Y305 HydrophobicContact CE1-CD1 3.89Å; F66-Y305 HydrophobicContact CE1-CE1 4.38Å; F66-Y305 HydrophobicContact CE1-CG 4.01Å; F66-Y305 VanDerWaalsContact O-CD2 3.25Å; F66-Y305 WeakPolarHBondContact O-CD2 3.34Å; F66-I315 HydrophobicContact CE1-CD1 4.35Å; F66-V317 HydrophobicContact CE2-CG1 4.07Å; F66-V317 HydrophobicContact CE2-CG2 4.48Å; F66-V317 HydrophobicContact CZ-CG1 4.2Å; F66-V317 HydrophobicContact CZ-CG2 3.79Å; F66-N340 HydrophobicContact CB-CB 4.08Å
67	I	98.9	Very high	98.9	Very high	2 Å²	2	12.9 Å²	12.9	1%	0.01	6%	0.06	C	C	.	.	S	Bend	cis	-80.1	142.9	2.1	66	175.5	0	0	0	112.1	V65 K69 N73 E83 A90 V268 Y305	V65-I67 CarbonylContact O-C 3.54Å; I67-K69 HydrophobicContact CD1-CB 4.18Å; I67-K69 HydrophobicContact CD1-CG 3.54Å; I67-K69 HydrophobicContact CG1-CB 4.07Å; I67-K69 HydrophobicContact CG1-CG 3.8Å; I67-K69 PolarHBondContact O-N 3.49Å; I67-N73 PolarHBondContact O-ND2 3.18Å; I67-E83 PolarHBondContact N-OE1 2.89Å; I67-E83 PolarHBondContact N-OE2 3.4Å; I67-A90 HydrophobicContact CD1-CB 3.83Å; I67-V268 HydrophobicContact CB-CG2 4.45Å; I67-V268 HydrophobicContact CG2-CB 3.94Å; I67-V268 HydrophobicContact CG2-CG1 3.9Å; I67-V268 HydrophobicContact CG2-CG2 3.78Å; I67-Y305 HydrophobicContact CG2-CE1 4.41Å; I67-Y305 HydrophobicContact CG2-CE2 4.18Å
68	T	98.9	Very high	98.9	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.06	C	C	.	.			trans	-78.5	58.6	-174.9	70.2	0	0	0	0	112.6	N64 V65 N73 H238 H336 G337 Y338 N340 M345	N64-T68 WeakPolarHBondContact OD1-CG2 3.33Å; V65-T68 VanDerWaalsContact O-CG2 3.3Å; V65-T68 WeakPolarHBondContact O-CG2 3.39Å; V65-T68 PolarHBondContact O-N 2.92Å; T68-N73 WeakPolarHBondContact CA-ND2 3.5Å; T68-H238 PolarHBondContact O-CD2 3.46Å; T68-H336 PolarHBondContact O-ND1 3.12Å; T68-G337 WeakPolarHBondContact O-CA 3.31Å; T68-G337 PolarHBondContact O-N 3.12Å; T68-G337 WeakPolarHBondContact OG1-CA 3.32Å; T68-G337 PolarHBondContact OG1-N 3.25Å; T68-Y338 WeakPolarHBondContact CG2-O 3.22Å; T68-Y338 PolarHBondContact OG1-N 2.65Å; T68-N340 HydrophobicContact CG2-CB 3.6Å; T68-M345 HydrophobicContact CG2-CB 3.92Å; T68-M345 HydrophobicContact CG2-CG 4.32Å; T68-M345 PolarHBondContact OG1-SD 2.76Å
69	K	98.9	Very high	98.9	Very high	14 Å²	14	12.4 Å²	12.4	6%	0.061	6%	0.058	C	C	.	.			trans	-109.7	162.4	178.5	-69.9	-62.1	-164.6	-174.7	0	111.3	I67 P72 N73 S266 D335 H336	I67-K69 HydrophobicContact CD1-CB 4.18Å; I67-K69 HydrophobicContact CD1-CG 3.54Å; I67-K69 HydrophobicContact CG1-CB 4.07Å; I67-K69 HydrophobicContact CG1-CG 3.8Å; I67-K69 PolarHBondContact O-N 3.49Å; K69-P72 HydrophobicContact CB-CG 4.28Å; K69-P72 WeakPolarHBondContact O-CD 3.23Å; K69-N73 PolarHBondContact N-ND2 3.47Å; K69-N73 WeakPolarHBondContact O-CB 3.32Å; K69-N73 PolarHBondContact O-N 2.92Å; K69-N73 VanDerWaalsContact O-N 3.16Å; K69-N73 PolarHBondContact O-ND2 3.48Å; K69-S266 PolarHBondContact NZ-O 2.91Å; K69-D335 IonicContact NZ-OD1 3.44Å; K69-D335 PolarHBondContact NZ-OD1 3.05Å; K69-H336 VanDerWaalsContact CE-O 3.29Å; K69-H336 WeakPolarHBondContact CE-O 3.48Å; K69-H336 PolarHBondContact NZ-O 3.41Å
70	T	98.8	Very high	98.9	Very high	13 Å²	13	12.4 Å²	12.4	8%	0.08	6%	0.058	C	C	.	.	H	α-helix	trans	-55.3	-65.7	-171.2	-49.1	0	0	0	0	115.3	D34 N73 H74 D237 H238	D34-T70 WeakPolarHBondContact OD2-CG2 3.3Å; T70-N73 PolarHBondContact O-N 2.95Å; T70-H74 WeakPolarHBondContact O-CB 3.34Å; T70-H74 PolarHBondContact O-N 3Å; T70-H74 PolarHBondContact O-ND1 3.33Å; T70-D237 VanDerWaalsContact CA-OD2 3.22Å; T70-D237 WeakPolarHBondContact CA-OD2 3.46Å; T70-H238 PolarHBondContact OG1-NE2 2.92Å
71	F	98.9	Very high	98.9	Very high	21 Å²	21	10.4 Å²	10.4	9%	0.092	5%	0.049	C	C	.	.	H	α-helix	trans	-62	-46	-174.6	-82.7	-109.3	0	0	0	112.2	N73 Y75 I88 N91 F102 D104 D107 W113 P137	F71-N73 PolarHBondContact O-N 2.91Å; F71-Y75 WeakPolarHBondContact O-CB 3.41Å; F71-Y75 PolarHBondContact O-N 2.05Å; F71-Y75 VanDerWaalsContact O-N 3.08Å; F71-I88 HydrophobicContact CB-CG2 3.8Å; F71-N91 WeakPolarHBondContact CB-OD1 3.42Å; F71-N91 PolarHBondContact N-OD1 2.92Å; F71-F102 HydrophobicContact CD1-CE1 4.08Å; F71-F102 AromaticContact CD1-CZ 3.56Å; F71-F102 HydrophobicContact CD1-CZ 3.56Å; F71-F102 AromaticContact CE1-CZ 3.89Å; F71-F102 HydrophobicContact CE1-CZ 3.89Å; F71-F102 HydrophobicContact CG-CE1 4.33Å; F71-F102 HydrophobicContact CG-CZ 4.25Å; F71-D104 HydrophobicContact CE2-CB 3.96Å; F71-D104 HydrophobicContact CZ-CB 4.35Å; F71-D107 HydrophobicContact CE1-CB 3.98Å; F71-D107 HydrophobicContact CZ-CB 4.5Å; F71-W113 AromaticContact CD1-CH2 3.54Å; F71-W113 HydrophobicContact CD1-CH2 3.54Å; F71-W113 AromaticContact CD1-CZ2 4Å; F71-W113 HydrophobicContact CD1-CZ2 4Å; F71-W113 AromaticContact CE1-CH2 3.86Å; F71-W113 HydrophobicContact CE1-CH2 3.86Å; F71-W113 HydrophobicContact CE1-CZ2 4Å; F71-P137 HydrophobicContact CD1-CB 4.05Å; F71-P137 HydrophobicContact CE1-CB 4.09Å; F71-P137 HydrophobicContact CG-CB 4.46Å
72	P	98.9	Very high	98.9	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-58.8	-48.8	177.8	-25.8	34.1	0	0	0	113.8	K69 Y75 S76 E83 H86 I88 N91	K69-P72 HydrophobicContact CB-CG 4.28Å; K69-P72 WeakPolarHBondContact O-CD 3.23Å; P72-Y75 PolarHBondContact O-N 3.26Å; P72-S76 PolarHBondContact O-N 3.1Å; P72-S76 PolarHBondContact O-OG 3.33Å; P72-E83 HydrophobicContact CB-CG 3.8Å; P72-E83 VanDerWaalsContact CB-OE1 3.31Å; P72-E83 WeakPolarHBondContact CB-OE1 3.41Å; P72-E83 WeakPolarHBondContact CB-OE2 3.47Å; P72-H86 PolarHBondContact O-CE1 3.4Å; P72-H86 PolarHBondContact O-NE2 2.94Å; P72-I88 WeakPolarHBondContact CA-O 3.34Å; P72-I88 VanDerWaalsContact CB-O 3.25Å; P72-I88 WeakPolarHBondContact CB-O 3.17Å; P72-I88 HydrophobicContact CG-CG2 4.24Å; P72-I88 WeakPolarHBondContact CG-O 3.26Å; P72-N91 WeakPolarHBondContact CD-OD1 3.16Å
73	N	98.9	Very high	98.9	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-72.9	-38.3	-175.1	-79.3	-94	0	0	0	112.1	N64 V65 I67 T68 K69 T70 F71 Y75 S76 I77 D237 I367	N64-N73 VanDerWaalsContact CB-OD1 3.3Å; N64-N73 WeakPolarHBondContact CB-OD1 3.01Å; V65-N73 WeakPolarHBondContact CG2-OD1 3.44Å; V65-N73 PolarHBondContact N-OD1 2.75Å; V65-N73 PolarHBondContact O-ND2 3.24Å; V65-N73 PolarHBondContact O-OD1 3.05Å; I67-N73 PolarHBondContact O-ND2 3.18Å; T68-N73 WeakPolarHBondContact CA-ND2 3.5Å; K69-N73 PolarHBondContact N-ND2 3.47Å; K69-N73 WeakPolarHBondContact O-CB 3.32Å; K69-N73 PolarHBondContact O-N 2.92Å; K69-N73 VanDerWaalsContact O-N 3.16Å; K69-N73 PolarHBondContact O-ND2 3.48Å; T70-N73 PolarHBondContact O-N 2.95Å; F71-N73 PolarHBondContact O-N 2.91Å; N73-Y75 PolarHBondContact O-N 3.33Å; N73-S76 WeakPolarHBondContact O-CB 3.18Å; N73-S76 PolarHBondContact O-N 3.42Å; N73-I77 WeakPolarHBondContact O-CG1 3.28Å; N73-I77 PolarHBondContact O-N 3.17Å; N73-D237 HydrophobicContact CB-CB 3.85Å; N73-I367 HydrophobicContact CB-CD1 4.21Å
74	H	98.9	Very high	98.9	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-59.2	-36.1	171.4	-79.6	90.3	0	0	0	111.9	S32 D34 T70 V78 W136 P137 Y184 D237	S32-H74 WeakPolarHBondContact CB-NE2 3.27Å; S32-H74 PolarHBondContact OG-NE2 3.47Å; D34-H74 IonicContact OD2-CE1 3.39Å; T70-H74 WeakPolarHBondContact O-CB 3.34Å; T70-H74 PolarHBondContact O-N 3Å; T70-H74 PolarHBondContact O-ND1 3.33Å; H74-V78 WeakPolarHBondContact O-CG2 3.49Å; H74-W136 HydrophobicContact CB-CZ2 4.13Å; H74-W136 AromaticContact CD2-CE2 3.82Å; H74-W136 AromaticContact CD2-CH2 3.77Å; H74-W136 AromaticContact CD2-CZ2 3.59Å; H74-P137 HydrophobicContact CB-CB 4.33Å; H74-P137 HydrophobicContact CB-CG 4.02Å; H74-Y184 AromaticContact CE1-CE2 3.87Å; H74-Y184 AromaticContact NE2-CD2 3.58Å; H74-Y184 AromaticContact NE2-CE2 3.74Å; H74-D237 VanDerWaalsContact CE1-CB 3.46Å; H74-D237 WeakPolarHBondContact CE1-CB 3.32Å; H74-D237 IonicContact CE1-OD1 3.08Å; H74-D237 IonicContact CE1-OD2 3.96Å; H74-D237 PolarHBondContact CE1-OD2 2.95Å; H74-D237 WeakPolarHBondContact ND1-CB 3.21Å; H74-D237 IonicContact ND1-OD2 3.26Å; H74-D237 PolarHBondContact ND1-OD2 3.35Å; H74-D237 VanDerWaalsContact ND1-OD2 3.08Å
75	Y	98.9	Very high	98.9	Very high	2 Å²	2	9.6 Å²	9.6	1%	0.008	5%	0.051	C	C	.	.	H	α-helix	trans	-75.7	-34	176.9	-151	-126.4	0	0	0	112.8	F71 P72 N73 I77 V78 T79 H86 I88 W113 A116 P118 W120 I143	F71-Y75 WeakPolarHBondContact O-CB 3.41Å; F71-Y75 PolarHBondContact O-N 2.05Å; F71-Y75 VanDerWaalsContact O-N 3.08Å; P72-Y75 PolarHBondContact O-N 3.26Å; N73-Y75 PolarHBondContact O-N 3.33Å; Y75-I77 PolarHBondContact O-N 3.29Å; Y75-V78 HydrophobicContact CD2-CG2 3.9Å; Y75-V78 HydrophobicContact CE2-CG2 4.4Å; Y75-V78 VanDerWaalsContact O-CG2 3.32Å; Y75-V78 WeakPolarHBondContact O-CG2 3.21Å; Y75-V78 PolarHBondContact O-N 3.41Å; Y75-T79 HydrophobicContact CD1-CG2 4.12Å; Y75-T79 HydrophobicContact CD2-CG2 4.38Å; Y75-T79 HydrophobicContact CE1-CG2 3.95Å; Y75-T79 HydrophobicContact CE2-CG2 4.19Å; Y75-T79 HydrophobicContact CG-CG2 4.32Å; Y75-T79 WeakPolarHBondContact O-CB 3.42Å; Y75-T79 VanDerWaalsContact O-CG2 3.31Å; Y75-T79 WeakPolarHBondContact O-CG2 3.28Å; Y75-T79 PolarHBondContact O-N 2.82Å; Y75-T79 VanDerWaalsContact O-N 3.1Å; Y75-T79 PolarHBondContact O-OG1 2.84Å; Y75-H86 HydrophobicContact CD1-CB 3.71Å; Y75-H86 AromaticContact CD1-CG 3.72Å; Y75-H86 AromaticContact CD1-ND1 3.76Å; Y75-H86 HydrophobicContact CE1-CB 3.93Å; Y75-I88 HydrophobicContact CD1-CB 4.31Å; Y75-I88 HydrophobicContact CD1-CG1 3.67Å; Y75-I88 HydrophobicContact CE1-CG1 4.15Å; Y75-I88 HydrophobicContact CG-CG1 4.13Å; Y75-W113 AromaticContact CD2-CE3 3.74Å; Y75-W113 HydrophobicContact CD2-CE3 3.74Å; Y75-W113 AromaticContact CD2-CZ3 3.74Å; Y75-W113 HydrophobicContact CD2-CZ3 3.74Å; Y75-W113 HydrophobicContact CE1-CE3 4.38Å; Y75-W113 AromaticContact CE2-CE3 3.6Å; Y75-W113 HydrophobicContact CE2-CE3 3.6Å; Y75-W113 HydrophobicContact CE2-CZ3 4.06Å; Y75-W113 HydrophobicContact CG-CE3 4.24Å; Y75-W113 HydrophobicContact CG-CZ3 4.2Å; Y75-W113 AromaticContact CZ-CE3 3.95Å; Y75-W113 PolarHBondContact OH-O 3.07Å; Y75-A116 HydrophobicContact CE1-CB 3.83Å; Y75-A116 PolarHBondContact OH-O 2.78Å; Y75-P118 HydrophobicContact CE2-CB 3.91Å; Y75-P118 HydrophobicContact CE2-CG 4.08Å; Y75-W120 HydrophobicContact CD2-CH2 4.43Å; Y75-W120 HydrophobicContact CE2-CH2 4.17Å; Y75-I143 HydrophobicContact CE2-CD1 4.2Å
76	S	99	Very high	98.9	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-60.2	-41.5	170.2	-71.1	0	0	0	0	112.7	V65 P72 N73 V78 T79 G80 L81 H86	V65-S76 WeakPolarHBondContact CG2-OG 3.45Å; P72-S76 PolarHBondContact O-N 3.1Å; P72-S76 PolarHBondContact O-OG 3.33Å; N73-S76 WeakPolarHBondContact O-CB 3.18Å; N73-S76 PolarHBondContact O-N 3.42Å; S76-V78 VanDerWaalsContact C-N 3.27Å; S76-V78 PolarHBondContact O-N 3.03Å; S76-T79 PolarHBondContact O-N 3.33Å; S76-G80 WeakPolarHBondContact O-CA 3.49Å; S76-G80 PolarHBondContact O-N 2.97Å; S76-L81 WeakPolarHBondContact CB-O 3.16Å; S76-L81 PolarHBondContact OG-O 2.9Å; S76-H86 PolarHBondContact OG-NE2 2.99Å
77	I	99	Very high	98.9	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-56.1	-43.6	177.5	-68.2	167.4	0	0	0	111.3	L30 N73 Y75 W136 T235 I367 I370 M374	L30-I77 HydrophobicContact CD1-CG2 4.42Å; L30-I77 HydrophobicContact CD2-CG2 3.8Å; N73-I77 WeakPolarHBondContact O-CG1 3.28Å; N73-I77 PolarHBondContact O-N 3.17Å; Y75-I77 PolarHBondContact O-N 3.29Å; I77-W136 HydrophobicContact CB-CZ2 4.3Å; I77-W136 HydrophobicContact CD1-CH2 4.12Å; I77-W136 HydrophobicContact CD1-CZ2 4.33Å; I77-W136 HydrophobicContact CG2-CH2 4.19Å; I77-W136 HydrophobicContact CG2-CZ2 4.25Å; I77-T235 HydrophobicContact CD1-CG2 4.31Å; I77-I367 HydrophobicContact CD1-CD1 4.01Å; I77-I367 HydrophobicContact CD1-CG1 4.33Å; I77-I367 HydrophobicContact CG1-CD1 3.6Å; I77-I367 HydrophobicContact CG1-CG1 3.48Å; I77-I367 VanDerWaalsContact CG1-CG1 3.48Å; I77-I370 HydrophobicContact CG1-CD1 4.35Å; I77-I370 HydrophobicContact CG2-CB 4.47Å; I77-I370 HydrophobicContact CG2-CD1 4.45Å; I77-I370 HydrophobicContact CG2-CG2 4.07Å; I77-M374 HydrophobicContact CG2-CE 4.27Å; I77-M374 VanDerWaalsContact O-CE 3.31Å; I77-M374 WeakPolarHBondContact O-CE 3.17Å
78	V	98.9	Very high	98.9	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-94.2	-2.9	-171	-61.9	0	0	0	0	114.1	L30 H74 Y75 S76 P118 I119 W120 W136 Y371	L30-V78 HydrophobicContact CD2-CG1 4.04Å; H74-V78 WeakPolarHBondContact O-CG2 3.49Å; Y75-V78 HydrophobicContact CD2-CG2 3.9Å; Y75-V78 HydrophobicContact CE2-CG2 4.4Å; Y75-V78 VanDerWaalsContact O-CG2 3.32Å; Y75-V78 WeakPolarHBondContact O-CG2 3.21Å; Y75-V78 PolarHBondContact O-N 3.41Å; S76-V78 VanDerWaalsContact C-N 3.27Å; S76-V78 PolarHBondContact O-N 3.03Å; V78-P118 HydrophobicContact CB-CB 4.29Å; V78-P118 HydrophobicContact CG2-CB 3.86Å; V78-P118 CarbonylContact O-C 3.51Å; V78-P118 WeakPolarHBondContact O-CA 3.5Å; V78-I119 HydrophobicContact CB-CG2 4.12Å; V78-I119 HydrophobicContact CG1-CG2 4.35Å; V78-I119 PolarHBondContact O-N 3.27Å; V78-W120 HydrophobicContact CB-CE3 4.29Å; V78-W120 HydrophobicContact CB-CZ3 3.91Å; V78-W120 HydrophobicContact CG1-CE3 4.37Å; V78-W120 HydrophobicContact CG1-CZ3 4.01Å; V78-W120 HydrophobicContact CG2-CE3 4.39Å; V78-W120 HydrophobicContact CG2-CH2 4.18Å; V78-W120 HydrophobicContact CG2-CZ3 3.58Å; V78-W136 HydrophobicContact CG1-CZ2 3.66Å; V78-Y371 WeakPolarHBondContact O-CD2 3.38Å; V78-Y371 WeakPolarHBondContact O-CE2 3.49Å
79	T	98.9	Very high	98.9	Very high	3 Å²	3	9.3 Å²	9.3	2%	0.018	5%	0.049	C	C	.	.	H	α-helix	trans	-122.1	-22.8	177.8	60.2	0	0	0	0	113.2	Y75 S76 L81 A116 P118 Y371 N385	Y75-T79 HydrophobicContact CD1-CG2 4.12Å; Y75-T79 HydrophobicContact CD2-CG2 4.38Å; Y75-T79 HydrophobicContact CE1-CG2 3.95Å; Y75-T79 HydrophobicContact CE2-CG2 4.19Å; Y75-T79 HydrophobicContact CG-CG2 4.32Å; Y75-T79 WeakPolarHBondContact O-CB 3.42Å; Y75-T79 VanDerWaalsContact O-CG2 3.31Å; Y75-T79 WeakPolarHBondContact O-CG2 3.28Å; Y75-T79 PolarHBondContact O-N 2.82Å; Y75-T79 VanDerWaalsContact O-N 3.1Å; Y75-T79 PolarHBondContact O-OG1 2.84Å; S76-T79 PolarHBondContact O-N 3.33Å; T79-L81 PolarHBondContact O-N 2.9Å; T79-L81 PolarHBondContact OG1-N 3.21Å; T79-A116 HydrophobicContact CG2-CB 3.78Å; T79-P118 HydrophobicContact CG2-CB 4.24Å; T79-Y371 VanDerWaalsContact C-CG 3.43Å; T79-Y371 WeakPolarHBondContact O-CD1 3.33Å; T79-N385 WeakPolarHBondContact O-CB 3.18Å
80	G	98.9	Very high	98.9	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.048	C	C	.	.			trans	69	17.3	-173	0	0	0	0	0	113.5	S76 V368 Y371 N385 N386 G387	S76-G80 WeakPolarHBondContact O-CA 3.49Å; S76-G80 PolarHBondContact O-N 2.97Å; G80-V368 WeakPolarHBondContact CA-O 3.36Å; G80-Y371 VanDerWaalsContact CA-CB 3.46Å; G80-Y371 VanDerWaalsContact N-CB 3.27Å; G80-N385 WeakPolarHBondContact O-CB 3.45Å; G80-N386 WeakPolarHBondContact O-CA 3.48Å; G80-N386 PolarHBondContact O-N 3.26Å; G80-G387 PolarHBondContact O-N 2.97Å
81	L	99	Very high	98.9	Very high	26 Å²	26	9.8 Å²	9.8	14%	0.136	5%	0.053	C	C	.	.			trans	-105.5	153.1	-175.9	-69.9	170.6	0	0	0	111.3	S76 T79 H86 A116 N385 N386	S76-L81 WeakPolarHBondContact CB-O 3.16Å; S76-L81 PolarHBondContact OG-O 2.9Å; T79-L81 PolarHBondContact O-N 2.9Å; T79-L81 PolarHBondContact OG1-N 3.21Å; L81-H86 HydrophobicContact CB-CB 4Å; L81-H86 HydrophobicContact CD1-CB 4.11Å; L81-H86 PolarHBondContact O-CD2 3.38Å; L81-H86 VanDerWaalsContact O-CD2 3.32Å; L81-A116 HydrophobicContact CD1-CB 3.7Å; L81-N385 HydrophobicContact CD2-CB 4.46Å; L81-N386 WeakPolarHBondContact CA-OD1 3.45Å; L81-N386 WeakPolarHBondContact CD2-OD1 3.02Å
82	Y	98.9	Very high	98.9	Very high	38 Å²	38	10.7 Å²	10.7	15%	0.149	6%	0.061	C	C	.	.			trans	-71.9	161	163.1	-64.3	-58.9	0	0	0	111.4	V65 E84 S85 H86 Y304 V368 N386	V65-Y82 HydrophobicContact CG1-CD1 3.66Å; V65-Y82 HydrophobicContact CG1-CE1 4.09Å; Y82-E84 VanDerWaalsContact C-N 3.33Å; Y82-E84 PolarHBondContact O-N 3.22Å; Y82-S85 WeakPolarHBondContact O-CB 3.26Å; Y82-S85 PolarHBondContact O-N 2.75Å; Y82-H86 PolarHBondContact O-CD2 2.79Å; Y82-H86 PolarHBondContact O-N 2.98Å; Y82-H86 VanDerWaalsContact O-N 3.11Å; Y82-Y304 AromaticContact CD1-CD2 3.81Å; Y82-Y304 HydrophobicContact CD1-CD2 3.81Å; Y82-Y304 AromaticContact CD1-CG 4Å; Y82-Y304 HydrophobicContact CD1-CG 4Å; Y82-Y304 AromaticContact CD2-CD1 3.76Å; Y82-Y304 HydrophobicContact CD2-CD1 3.76Å; Y82-Y304 AromaticContact CD2-CD2 3.95Å; Y82-Y304 HydrophobicContact CD2-CD2 3.95Å; Y82-Y304 HydrophobicContact CD2-CE1 4.38Å; Y82-Y304 AromaticContact CD2-CG 3.5Å; Y82-Y304 HydrophobicContact CD2-CG 3.5Å; Y82-Y304 AromaticContact CE1-CD2 3.49Å; Y82-Y304 HydrophobicContact CE1-CD2 3.49Å; Y82-Y304 VanDerWaalsContact CE1-CD2 3.49Å; Y82-Y304 AromaticContact CE1-CE2 3.9Å; Y82-Y304 HydrophobicContact CE1-CE2 3.9Å; Y82-Y304 HydrophobicContact CE1-CG 4.05Å; Y82-Y304 AromaticContact CE2-CD1 3.66Å; Y82-Y304 HydrophobicContact CE2-CD1 3.66Å; Y82-Y304 AromaticContact CE2-CD2 3.61Å; Y82-Y304 HydrophobicContact CE2-CD2 3.61Å; Y82-Y304 AromaticContact CE2-CE1 3.82Å; Y82-Y304 HydrophobicContact CE2-CE1 3.82Å; Y82-Y304 AromaticContact CE2-CE2 3.78Å; Y82-Y304 HydrophobicContact CE2-CE2 3.78Å; Y82-Y304 AromaticContact CE2-CG 3.54Å; Y82-Y304 HydrophobicContact CE2-CG 3.54Å; Y82-Y304 AromaticContact CE2-CZ 3.87Å; Y82-Y304 VanDerWaalsContact CG-CB 3.45Å; Y82-Y304 HydrophobicContact CG-CD1 4.44Å; Y82-Y304 HydrophobicContact CG-CD2 4.05Å; Y82-Y304 AromaticContact CG-CG 3.75Å; Y82-Y304 HydrophobicContact CG-CG 3.75Å; Y82-Y304 AromaticContact CZ-CD2 3.37Å; Y82-Y304 AromaticContact CZ-CE2 3.41Å; Y82-Y304 VanDerWaalsContact CZ-CE2 3.41Å; Y82-Y304 AromaticContact CZ-CG 3.83Å; Y82-Y304 AromaticContact CZ-CZ 3.89Å; Y82-Y304 WeakPolarHBondContact OH-CE2 3Å; Y82-V368 HydrophobicContact CD1-CG1 4.29Å; Y82-V368 HydrophobicContact CE1-CG1 4.32Å; Y82-V368 HydrophobicContact CE1-CG2 4.48Å; Y82-N386 HydrophobicContact CD2-CB 3.69Å; Y82-N386 VanDerWaalsContact CD2-CG 3.41Å; Y82-N386 WeakPolarHBondContact CD2-OD1 3.5Å; Y82-N386 HydrophobicContact CE2-CB 3.57Å; Y82-N386 HydrophobicContact CG-CB 4.42Å; Y82-N386 PolarHBondContact N-OD1 3.43Å
83	E	98.9	Very high	98.9	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.005	6%	0.062	C	C	.	.	H	α-helix	trans	-62	-39	-172.8	-57.5	-173.8	-164.5	0	0	113.4	V65 F66 I67 P72 S85 H86 G87 V89 Y305	V65-E83 HydrophobicContact CB-CG 4.29Å; V65-E83 HydrophobicContact CG2-CG 3.75Å; V65-E83 WeakPolarHBondContact CG2-OE1 3.45Å; F66-E83 VanDerWaalsContact O-OE1 3.13Å; I67-E83 PolarHBondContact N-OE1 2.89Å; I67-E83 PolarHBondContact N-OE2 3.4Å; P72-E83 HydrophobicContact CB-CG 3.8Å; P72-E83 VanDerWaalsContact CB-OE1 3.31Å; P72-E83 WeakPolarHBondContact CB-OE1 3.41Å; P72-E83 WeakPolarHBondContact CB-OE2 3.47Å; E83-S85 PolarHBondContact O-N 3.49Å; E83-H86 VanDerWaalsContact CA-CE1 3.45Å; E83-H86 WeakPolarHBondContact CA-CE1 3.28Å; E83-H86 PolarHBondContact O-N 3.37Å; E83-G87 PolarHBondContact O-N 3.2Å; E83-V89 HydrophobicContact CB-CG1 4.21Å; E83-V89 WeakPolarHBondContact O-CG1 3.39Å; E83-Y305 HydrophobicContact CB-CD2 4.05Å; E83-Y305 HydrophobicContact CB-CE2 4.19Å; E83-Y305 VanDerWaalsContact OE2-CE2 3.27Å; E83-Y305 WeakPolarHBondContact OE2-CE2 3.38Å
84	E	98.9	Very high	98.9	Very high	24 Å²	24	12.8 Å²	12.8	11%	0.112	7%	0.07	C	C	.	.	H	α-helix	trans	-62.6	-24	176.6	71.9	-175.1	176.5	0	0	113.3	Y82 Y304 Y305 Q306 H307 N308 I311	Y82-E84 VanDerWaalsContact C-N 3.33Å; Y82-E84 PolarHBondContact O-N 3.22Å; E84-Y304 WeakPolarHBondContact CB-O 3.24Å; E84-Y304 VanDerWaalsContact CD-O 3.23Å; E84-Y304 WeakPolarHBondContact CG-O 3.42Å; E84-Y305 PolarHBondContact OE2-N 2.96Å; E84-Q306 PolarHBondContact OE2-N 2.98Å; E84-H307 HydrophobicContact CG-CB 4.45Å; E84-H307 IonicContact OE1-CD2 3.54Å; E84-H307 IonicContact OE2-CD2 3.37Å; E84-H307 PolarHBondContact OE2-CD2 2.93Å; E84-H307 IonicContact OE2-CG 3.7Å; E84-H307 PolarHBondContact OE2-N 3.5Å; E84-N308 HydrophobicContact CB-CB 4.32Å; E84-N308 WeakPolarHBondContact O-CB 3.43Å; E84-N308 PolarHBondContact O-ND2 3.38Å; E84-I311 HydrophobicContact CB-CD1 4.3Å
85	S	98.9	Very high	98.9	Very high	51 Å²	51	13.3 Å²	13.3	36%	0.357	7%	0.073	S	C	.	.	H	α-helix	trans	-91.3	-37.4	-178.9	-62.5	0	0	0	0	112.8	Y82 E83	Y82-S85 WeakPolarHBondContact O-CB 3.26Å; Y82-S85 PolarHBondContact O-N 2.75Å; E83-S85 PolarHBondContact O-N 3.49Å
86	H	98.9	Very high	98.7	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-91	-7.1	-179.9	65.6	54.3	0	0	0	114.2	P72 Y75 S76 L81 Y82 E83 I88 A116	P72-H86 PolarHBondContact O-CE1 3.4Å; P72-H86 PolarHBondContact O-NE2 2.94Å; Y75-H86 HydrophobicContact CD1-CB 3.71Å; Y75-H86 AromaticContact CD1-CG 3.72Å; Y75-H86 AromaticContact CD1-ND1 3.76Å; Y75-H86 HydrophobicContact CE1-CB 3.93Å; S76-H86 PolarHBondContact OG-NE2 2.99Å; L81-H86 HydrophobicContact CB-CB 4Å; L81-H86 HydrophobicContact CD1-CB 4.11Å; L81-H86 PolarHBondContact O-CD2 3.38Å; L81-H86 VanDerWaalsContact O-CD2 3.32Å; Y82-H86 PolarHBondContact O-CD2 2.79Å; Y82-H86 PolarHBondContact O-N 2.98Å; Y82-H86 VanDerWaalsContact O-N 3.11Å; E83-H86 VanDerWaalsContact CA-CE1 3.45Å; E83-H86 WeakPolarHBondContact CA-CE1 3.28Å; E83-H86 PolarHBondContact O-N 3.37Å; H86-I88 PolarHBondContact CE1-O 3.39Å; H86-I88 PolarHBondContact ND1-N 2.96Å; H86-I88 PolarHBondContact ND1-O 3.36Å; H86-I88 PolarHBondContact O-N 3.02Å; H86-I88 VanDerWaalsContact O-N 3.09Å; H86-A116 HydrophobicContact CB-CB 3.85Å
87	G	98.8	Very high	98.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	82	-20.3	168.8	0	0	0	0	0	115.9	E83 V89 E115 R310	E83-G87 PolarHBondContact O-N 3.2Å; G87-V89 PolarHBondContact O-N 3.07Å; G87-V89 VanDerWaalsContact O-N 3.12Å; G87-E115 WeakPolarHBondContact CA-OE2 3.25Å; G87-R310 WeakPolarHBondContact O-CD 3.5Å; G87-R310 PolarHBondContact O-NH1 3.4Å
88	I	98.9	Very high	98.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.148	C	C	.	.			trans	-77.5	88.6	169.5	-51.5	-60.5	0	0	0	109.9	F71 P72 Y75 H86 M93 W112 W113	F71-I88 HydrophobicContact CB-CG2 3.8Å; P72-I88 WeakPolarHBondContact CA-O 3.34Å; P72-I88 VanDerWaalsContact CB-O 3.25Å; P72-I88 WeakPolarHBondContact CB-O 3.17Å; P72-I88 HydrophobicContact CG-CG2 4.24Å; P72-I88 WeakPolarHBondContact CG-O 3.26Å; Y75-I88 HydrophobicContact CD1-CB 4.31Å; Y75-I88 HydrophobicContact CD1-CG1 3.67Å; Y75-I88 HydrophobicContact CE1-CG1 4.15Å; Y75-I88 HydrophobicContact CG-CG1 4.13Å; H86-I88 PolarHBondContact CE1-O 3.39Å; H86-I88 PolarHBondContact ND1-N 2.96Å; H86-I88 PolarHBondContact ND1-O 3.36Å; H86-I88 PolarHBondContact O-N 3.02Å; H86-I88 VanDerWaalsContact O-N 3.09Å; I88-M93 HydrophobicContact CD1-CE 4.06Å; I88-M93 HydrophobicContact CG2-CE 4.39Å; I88-W112 HydrophobicContact CD1-CB 4.01Å; I88-W112 WeakPolarHBondContact CD1-O 3.39Å; I88-W113 HydrophobicContact CD1-CD2 3.98Å; I88-W113 HydrophobicContact CD1-CE3 3.88Å; I88-W113 HydrophobicContact CD1-CG 4.47Å; I88-W113 HydrophobicContact CD1-CZ3 4.28Å; I88-W113 HydrophobicContact CG1-CE3 3.93Å; I88-W113 HydrophobicContact CG1-CZ3 4.15Å
89	V	98.9	Very high	98.6	Very high	2 Å²	2	32 Å²	32	1%	0.012	18%	0.18	C	C	.	.			trans	-99.6	-7.7	-172.4	-62.7	0	0	0	0	114.4	E83 G87 M93 Y305 N308 R310 I311	E83-V89 HydrophobicContact CB-CG1 4.21Å; E83-V89 WeakPolarHBondContact O-CG1 3.39Å; G87-V89 PolarHBondContact O-N 3.07Å; G87-V89 VanDerWaalsContact O-N 3.12Å; V89-M93 HydrophobicContact CB-SD 4.37Å; V89-M93 HydrophobicContact CG2-CG 4.12Å; V89-M93 HydrophobicContact CG2-SD 3.52Å; V89-M93 VanDerWaalsContact CG2-SD 3.52Å; V89-M93 PolarHBondContact N-SD 3.16Å; V89-Y305 HydrophobicContact CB-CE2 3.65Å; V89-Y305 HydrophobicContact CG1-CE2 4.15Å; V89-Y305 WeakPolarHBondContact O-CE2 3.29Å; V89-Y305 PolarHBondContact O-OH 3.38Å; V89-N308 HydrophobicContact CG1-CB 4.41Å; V89-R310 HydrophobicContact CG2-CB 3.76Å; V89-I311 HydrophobicContact CB-CG1 4.13Å; V89-I311 HydrophobicContact CG1-CD1 4.2Å; V89-I311 HydrophobicContact CG1-CG1 3.95Å; V89-I311 HydrophobicContact CG2-CG1 4.12Å
90	A	98.9	Very high	98.6	Very high	5 Å²	5	35.4 Å²	35.4	4%	0.041	19%	0.194	C	C	.	.			trans	-163.2	168.6	174.5	0	0	0	0	0	111.2	I67 S92 M93	I67-A90 HydrophobicContact CD1-CB 3.83Å; A90-S92 WeakPolarHBondContact CB-O 3.19Å; A90-S92 PolarHBondContact O-N 3.11Å; A90-M93 HydrophobicContact CB-CG 4Å
91	N	98.5	Very high	98.6	Very high	33 Å²	33	40.7 Å²	40.7	18%	0.176	22%	0.219	C	C	.	.	S	Bend	trans	-74.3	-11.9	169.7	-70.2	-2.2	0	0	0	112.2	F71 P72 S103 D104	F71-N91 WeakPolarHBondContact CB-OD1 3.42Å; F71-N91 PolarHBondContact N-OD1 2.92Å; P72-N91 WeakPolarHBondContact CD-OD1 3.16Å; N91-S103 WeakPolarHBondContact O-CA 3.48Å; N91-D104 PolarHBondContact O-N 3.24Å
92	S	98.8	Very high	98.6	Very high	39 Å²	39	39.7 Å²	39.7	27%	0.273	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	121.3	172.5	-70.9	0	0	0	0	109.5	A90 F102	A90-S92 WeakPolarHBondContact CB-O 3.19Å; A90-S92 PolarHBondContact O-N 3.11Å; S92-F102 WeakPolarHBondContact CA-O 3.47Å
93	M	98.8	Very high	98.5	Very high	5 Å²	5	39.2 Å²	39.2	3%	0.025	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	157.8	-176.1	-54.2	-179.1	-77.3	0	0	111.8	I88 V89 A90 H101 F102 W112	I88-M93 HydrophobicContact CD1-CE 4.06Å; I88-M93 HydrophobicContact CG2-CE 4.39Å; V89-M93 HydrophobicContact CB-SD 4.37Å; V89-M93 HydrophobicContact CG2-CG 4.12Å; V89-M93 HydrophobicContact CG2-SD 3.52Å; V89-M93 VanDerWaalsContact CG2-SD 3.52Å; V89-M93 PolarHBondContact N-SD 3.16Å; A90-M93 HydrophobicContact CB-CG 4Å; M93-H101 WeakPolarHBondContact O-CA 3.44Å; M93-F102 HydrophobicContact CB-CB 3.95Å; M93-F102 HydrophobicContact CE-CB 3.83Å; M93-F102 HydrophobicContact CE-CD1 3.42Å; M93-F102 VanDerWaalsContact CE-CD1 3.42Å; M93-F102 HydrophobicContact CE-CD2 4.02Å; M93-F102 HydrophobicContact CE-CE1 3.9Å; M93-F102 HydrophobicContact CE-CE2 4.42Å; M93-F102 HydrophobicContact CE-CG 3.48Å; M93-F102 VanDerWaalsContact CE-CG 3.48Å; M93-F102 HydrophobicContact CE-CZ 4.36Å; M93-F102 HydrophobicContact CG-CD1 4.39Å; M93-F102 PolarHBondContact N-O 3.5Å; M93-F102 PolarHBondContact O-N 3.08Å; M93-W112 HydrophobicContact CB-CH2 4.35Å; M93-W112 HydrophobicContact CB-CZ3 4.03Å; M93-W112 HydrophobicContact CE-CD2 4.36Å; M93-W112 HydrophobicContact CE-CE3 3.78Å; M93-W112 HydrophobicContact CE-CZ3 4.29Å
94	Y	98.8	Very high	98.1	Very high	39 Å²	39	43.8 Å²	43.8	15%	0.153	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	125.9	173.2	176.2	-110.5	0	0	0	109.7	A96 K99 K100 H101 I263 L272 Q312	Y94-A96 HydrophobicContact CE1-CB 4Å; Y94-K99 HydrophobicContact CE2-CB 4.3Å; Y94-K100 WeakPolarHBondContact CD2-O 3.23Å; Y94-H101 AromaticContact CD2-CD2 3.94Å; Y94-H101 AromaticContact CD2-CE1 3.22Å; Y94-H101 WeakPolarHBondContact CD2-CE1 3.22Å; Y94-H101 AromaticContact CD2-ND1 3.57Å; Y94-H101 AromaticContact CD2-NE2 3.46Å; Y94-H101 WeakPolarHBondContact CD2-NE2 3.39Å; Y94-H101 AromaticContact CE2-CE1 3.62Å; Y94-H101 AromaticContact CE2-NE2 3.44Å; Y94-H101 WeakPolarHBondContact CE2-NE2 3.34Å; Y94-I263 HydrophobicContact CD1-CD1 4.14Å; Y94-I263 HydrophobicContact CG-CD1 4.1Å; Y94-L272 HydrophobicContact CD1-CD2 3.89Å; Y94-L272 HydrophobicContact CE1-CD2 3.81Å; Y94-Q312 PolarHBondContact O-NE2 3.4Å; Y94-Q312 VanDerWaalsContact O-NE2 3.09Å
95	D	98.6	Very high	97.7	Very high	12 Å²	12	47.4 Å²	47.4	6%	0.064	27%	0.268	C	S	.	.			trans	-97.6	113.5	173.2	177	-101.7	0	0	0	109	V97 T98 K99 K100 F111 W112	D95-V97 VanDerWaalsContact C-N 3.28Å; D95-V97 PolarHBondContact O-N 2.89Å; D95-V97 PolarHBondContact OD1-N 3.16Å; D95-T98 VanDerWaalsContact OD1-CB 3.24Å; D95-T98 WeakPolarHBondContact OD1-CB 3.33Å; D95-T98 VanDerWaalsContact OD1-CG2 3.32Å; D95-T98 WeakPolarHBondContact OD1-CG2 3.4Å; D95-T98 PolarHBondContact OD1-N 3.01Å; D95-T98 PolarHBondContact OD1-OG1 3.03Å; D95-K99 WeakPolarHBondContact O-CA 3.35Å; D95-K99 PolarHBondContact O-N 3.02Å; D95-K100 PolarHBondContact N-O 3.36Å; D95-K100 VanDerWaalsContact N-O 3.08Å; D95-F111 HydrophobicContact CB-CE1 3.93Å; D95-F111 HydrophobicContact CB-CZ 4.08Å; D95-W112 HydrophobicContact CB-CH2 3.72Å; D95-W112 HydrophobicContact CB-CZ3 4.09Å
96	A	96.2	Very high	97.7	Very high	57 Å²	57	49.3 Å²	49.3	47%	0.471	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-26.1	-171.9	0	0	0	0	0	113.6	Y94	Y94-A96 HydrophobicContact CE1-CB 4Å
97	V	97.4	Very high	97.7	Very high	123 Å²	123	49.8 Å²	49.8	75%	0.745	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-52.8	-177.2	178.3	0	0	0	0	110.6	D95	D95-V97 VanDerWaalsContact C-N 3.28Å; D95-V97 PolarHBondContact O-N 2.89Å; D95-V97 PolarHBondContact OD1-N 3.16Å
98	T	98.1	Very high	97.6	Very high	62 Å²	62	54.5 Å²	54.5	38%	0.38	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-14.9	-179.8	66.4	0	0	0	0	113	D95 K100 F111	D95-T98 VanDerWaalsContact OD1-CB 3.24Å; D95-T98 WeakPolarHBondContact OD1-CB 3.33Å; D95-T98 VanDerWaalsContact OD1-CG2 3.32Å; D95-T98 WeakPolarHBondContact OD1-CG2 3.4Å; D95-T98 PolarHBondContact OD1-N 3.01Å; D95-T98 PolarHBondContact OD1-OG1 3.03Å; T98-K100 PolarHBondContact O-N 3.23Å; T98-K100 WeakPolarHBondContact OG1-CB 3.36Å; T98-K100 WeakPolarHBondContact OG1-CG 3.38Å; T98-K100 PolarHBondContact OG1-N 2.74Å; T98-F111 HydrophobicContact CG2-CE2 3.84Å; T98-F111 HydrophobicContact CG2-CZ 3.92Å
99	K	98.4	Very high	97.6	Very high	151 Å²	151	57 Å²	57	66%	0.657	31%	0.311	S	S	*	.			trans	61	19.6	-173.9	-51.4	176.9	179.7	176.5	0	113.4	Y94 D95	Y94-K99 HydrophobicContact CE2-CB 4.3Å; D95-K99 WeakPolarHBondContact O-CA 3.35Å; D95-K99 PolarHBondContact O-N 3.02Å
100	K	98.6	Very high	97.6	Very high	75 Å²	75	58.5 Å²	58.5	33%	0.326	32%	0.32	S	S	.	.			trans	-74.2	148.5	176.2	-69.1	172.5	-179.3	-78.3	0	109.8	Y94 D95 T98 D109 F111 W112	Y94-K100 WeakPolarHBondContact CD2-O 3.23Å; D95-K100 PolarHBondContact N-O 3.36Å; D95-K100 VanDerWaalsContact N-O 3.08Å; T98-K100 PolarHBondContact O-N 3.23Å; T98-K100 WeakPolarHBondContact OG1-CB 3.36Å; T98-K100 WeakPolarHBondContact OG1-CG 3.38Å; T98-K100 PolarHBondContact OG1-N 2.74Å; K100-D109 IonicContact NZ-OD2 3.13Å; K100-D109 PolarHBondContact NZ-OD2 2.7Å; K100-F111 HydrophobicContact CD-CB 4.2Å; K100-F111 HydrophobicContact CD-CD1 3.58Å; K100-F111 HydrophobicContact CD-CD2 4.32Å; K100-F111 HydrophobicContact CD-CE1 4Å; K100-F111 HydrophobicContact CD-CG 3.76Å; K100-W112 HydrophobicContact CB-CH2 4.23Å; K100-W112 HydrophobicContact CB-CZ2 3.51Å
101	H	98.7	Very high	97.6	Very high	111 Å²	111	61 Å²	61	51%	0.514	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	143.5	172.3	-67.9	-94.7	0	0	0	109.8	M93 Y94 N106 W112	M93-H101 WeakPolarHBondContact O-CA 3.44Å; Y94-H101 AromaticContact CD2-CD2 3.94Å; Y94-H101 AromaticContact CD2-CE1 3.22Å; Y94-H101 WeakPolarHBondContact CD2-CE1 3.22Å; Y94-H101 AromaticContact CD2-ND1 3.57Å; Y94-H101 AromaticContact CD2-NE2 3.46Å; Y94-H101 WeakPolarHBondContact CD2-NE2 3.39Å; Y94-H101 AromaticContact CE2-CE1 3.62Å; Y94-H101 AromaticContact CE2-NE2 3.44Å; Y94-H101 WeakPolarHBondContact CE2-NE2 3.34Å; H101-N106 PolarHBondContact O-ND2 2.8Å; H101-W112 VanDerWaalsContact C-CZ2 3.43Å
102	F	98.8	Very high	97.6	Very high	5 Å²	5	59.5 Å²	59.5	2%	0.022	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	138.2	171.7	-177.6	-95.1	0	0	0	108.9	F71 S92 M93 D107 W112 W113	F71-F102 HydrophobicContact CD1-CE1 4.08Å; F71-F102 AromaticContact CD1-CZ 3.56Å; F71-F102 HydrophobicContact CD1-CZ 3.56Å; F71-F102 AromaticContact CE1-CZ 3.89Å; F71-F102 HydrophobicContact CE1-CZ 3.89Å; F71-F102 HydrophobicContact CG-CE1 4.33Å; F71-F102 HydrophobicContact CG-CZ 4.25Å; S92-F102 WeakPolarHBondContact CA-O 3.47Å; M93-F102 HydrophobicContact CB-CB 3.95Å; M93-F102 HydrophobicContact CE-CB 3.83Å; M93-F102 HydrophobicContact CE-CD1 3.42Å; M93-F102 VanDerWaalsContact CE-CD1 3.42Å; M93-F102 HydrophobicContact CE-CD2 4.02Å; M93-F102 HydrophobicContact CE-CE1 3.9Å; M93-F102 HydrophobicContact CE-CE2 4.42Å; M93-F102 HydrophobicContact CE-CG 3.48Å; M93-F102 VanDerWaalsContact CE-CG 3.48Å; M93-F102 HydrophobicContact CE-CZ 4.36Å; M93-F102 HydrophobicContact CG-CD1 4.39Å; M93-F102 PolarHBondContact N-O 3.5Å; M93-F102 PolarHBondContact O-N 3.08Å; F102-D107 HydrophobicContact CD2-CB 4.25Å; F102-D107 VanDerWaalsContact CE2-CA 3.49Å; F102-D107 HydrophobicContact CE2-CB 3.47Å; F102-D107 VanDerWaalsContact CE2-CB 3.47Å; F102-D107 HydrophobicContact CZ-CB 3.75Å; F102-W112 HydrophobicContact CB-CD2 3.81Å; F102-W112 HydrophobicContact CB-CE3 4.17Å; F102-W112 HydrophobicContact CB-CG 4.27Å; F102-W112 HydrophobicContact CB-CH2 4.19Å; F102-W112 HydrophobicContact CB-CZ2 3.81Å; F102-W112 HydrophobicContact CB-CZ3 4.36Å; F102-W112 HydrophobicContact CD2-CB 3.85Å; F102-W112 AromaticContact CD2-CD1 3.53Å; F102-W112 AromaticContact CD2-CD2 3.94Å; F102-W112 HydrophobicContact CD2-CD2 3.94Å; F102-W112 AromaticContact CD2-CG 3.49Å; F102-W112 HydrophobicContact CD2-CG 3.49Å; F102-W112 VanDerWaalsContact CD2-CG 3.49Å; F102-W112 AromaticContact CD2-NE1 3.94Å; F102-W112 HydrophobicContact CE2-CB 4.09Å; F102-W112 HydrophobicContact CE2-CG 4.22Å; F102-W112 HydrophobicContact CG-CD2 4.23Å; F102-W112 HydrophobicContact CG-CG 4.25Å; F102-W113 HydrophobicContact CE2-CZ2 4.09Å; F102-W113 HydrophobicContact CZ-CZ2 4.15Å
103	S	98.3	Very high	97.6	Very high	28 Å²	28	57.7 Å²	57.7	20%	0.196	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	166.3	165.2	61.6	0	0	0	0	109.2	N91 S105 N106 D107	N91-S103 WeakPolarHBondContact O-CA 3.48Å; S103-S105 PolarHBondContact O-N 3.03Å; S103-S105 PolarHBondContact OG-OG 3.04Å; S103-N106 PolarHBondContact N-O 3.27Å; S103-N106 CarbonylContact O-C 3.11Å; S103-N106 PolarHBondContact O-N 3.07Å; S103-N106 WeakPolarHBondContact OG-CB 3.36Å; S103-N106 PolarHBondContact OG-N 3.42Å; S103-D107 WeakPolarHBondContact O-CB 3.45Å; S103-D107 PolarHBondContact O-N 2.99Å
104	D	89.8	Confident	97.6	Very high	97 Å²	97	60.1 Å²	60.1	52%	0.519	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.9	-32.7	171.5	59.6	-4.8	0	0	0	115	F71 N91	F71-D104 HydrophobicContact CE2-CB 3.96Å; F71-D104 HydrophobicContact CZ-CB 4.35Å; N91-D104 PolarHBondContact O-N 3.24Å
105	S	91.5	Very high	97.6	Very high	100 Å²	100	62.2 Å²	62.2	70%	0.699	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-14.1	-179.7	41.5	0	0	0	0	113.8	S103	S103-S105 PolarHBondContact O-N 3.03Å; S103-S105 PolarHBondContact OG-OG 3.04Å
106	N	97.8	Very high	97.6	Very high	91 Å²	91	62 Å²	62	49%	0.487	33%	0.333	S	S	.	.	B	Isolated β-bridge	trans	-130.2	63.4	179.1	-177.1	47.7	0	0	0	109.7	H101 S103	H101-N106 PolarHBondContact O-ND2 2.8Å; S103-N106 PolarHBondContact N-O 3.27Å; S103-N106 CarbonylContact O-C 3.11Å; S103-N106 PolarHBondContact O-N 3.07Å; S103-N106 WeakPolarHBondContact OG-CB 3.36Å; S103-N106 PolarHBondContact OG-N 3.42Å
107	D	98.2	Very high	97.8	Very high	10 Å²	10	60.8 Å²	60.8	5%	0.053	32%	0.32	C	S	.	.			trans	-111.1	-6	-171.6	70.1	-30	0	0	0	113.3	F71 F102 S103 D109 W113	F71-D107 HydrophobicContact CE1-CB 3.98Å; F71-D107 HydrophobicContact CZ-CB 4.5Å; F102-D107 HydrophobicContact CD2-CB 4.25Å; F102-D107 VanDerWaalsContact CE2-CA 3.49Å; F102-D107 HydrophobicContact CE2-CB 3.47Å; F102-D107 VanDerWaalsContact CE2-CB 3.47Å; F102-D107 HydrophobicContact CZ-CB 3.75Å; S103-D107 WeakPolarHBondContact O-CB 3.45Å; S103-D107 PolarHBondContact O-N 2.99Å; D107-D109 VanDerWaalsContact C-N 3.32Å; D107-D109 PolarHBondContact O-N 3.24Å; D107-W113 HydrophobicContact CB-CZ2 4.25Å; D107-W113 PolarHBondContact O-NE1 3.25Å
108	K	98.4	Very high	97.8	Very high	99 Å²	99	54.9 Å²	54.9	43%	0.43	29%	0.285	S	S	.	.			trans	-80.6	-1.8	-166.2	-55.9	-158.5	-179.2	-144	0	116.7	P110 D140 N153	K108-P110 VanDerWaalsContact O-CD 3.29Å; K108-P110 WeakPolarHBondContact O-CD 3.23Å; K108-D140 WeakPolarHBondContact CE-OD2 3.41Å; K108-D140 IonicContact NZ-OD2 2.63Å; K108-D140 PolarHBondContact NZ-OD2 3.48Å; K108-N153 PolarHBondContact NZ-OD1 3.14Å
109	D	98.7	Very high	97.9	Very high	53 Å²	53	52 Å²	52	28%	0.283	27%	0.266	S	S	.	.			trans	-77.8	116.8	176.2	-170.8	-23.6	0	0	0	110	K100 D107 F111 W112	K100-D109 IonicContact NZ-OD2 3.13Å; K100-D109 PolarHBondContact NZ-OD2 2.7Å; D107-D109 VanDerWaalsContact C-N 3.32Å; D107-D109 PolarHBondContact O-N 3.24Å; D109-F111 PolarHBondContact O-N 3.32Å; D109-F111 WeakPolarHBondContact OD1-CB 3.05Å; D109-F111 PolarHBondContact OD1-N 2.85Å; D109-W112 PolarHBondContact O-N 3.17Å; D109-W112 VanDerWaalsContact O-N 3.13Å
110	P	98.7	Very high	97.9	Very high	33 Å²	33	44.8 Å²	44.8	21%	0.214	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-56.8	-21.2	179.5	-26	36.7	0	0	0	114	K108 W112 W113 N114 V141 P142	K108-P110 VanDerWaalsContact O-CD 3.29Å; K108-P110 WeakPolarHBondContact O-CD 3.23Å; P110-W112 PolarHBondContact O-N 3.01Å; P110-W112 VanDerWaalsContact O-N 3.13Å; P110-W113 PolarHBondContact O-N 3.44Å; P110-N114 WeakPolarHBondContact CB-ND2 3.29Å; P110-N114 WeakPolarHBondContact O-CB 3.3Å; P110-N114 PolarHBondContact O-N 2.81Å; P110-N114 PolarHBondContact O-ND2 3.07Å; P110-N114 VanDerWaalsContact O-ND2 3.11Å; P110-N114 PolarHBondContact O-OD1 2.74Å; P110-V141 HydrophobicContact CB-CG1 4.33Å; P110-V141 HydrophobicContact CG-CG1 4.01Å; P110-P142 HydrophobicContact CG-CG 3.84Å
111	F	98.8	Very high	97.9	Very high	58 Å²	58	41.3 Å²	41.3	25%	0.254	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-44.9	-42.7	172.4	171.8	-99	0	0	0	112.6	D95 T98 K100 D109 W113 R310	D95-F111 HydrophobicContact CB-CE1 3.93Å; D95-F111 HydrophobicContact CB-CZ 4.08Å; T98-F111 HydrophobicContact CG2-CE2 3.84Å; T98-F111 HydrophobicContact CG2-CZ 3.92Å; K100-F111 HydrophobicContact CD-CB 4.2Å; K100-F111 HydrophobicContact CD-CD1 3.58Å; K100-F111 HydrophobicContact CD-CD2 4.32Å; K100-F111 HydrophobicContact CD-CE1 4Å; K100-F111 HydrophobicContact CD-CG 3.76Å; D109-F111 PolarHBondContact O-N 3.32Å; D109-F111 WeakPolarHBondContact OD1-CB 3.05Å; D109-F111 PolarHBondContact OD1-N 2.85Å; F111-W113 VanDerWaalsContact C-N 3.34Å; F111-W113 PolarHBondContact O-N 3.34Å; F111-R310 PolarHBondContact O-NH2 2.89Å
112	W	98.9	Very high	97.9	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.008	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-70.7	-30.2	-177.2	-61.3	111.5	0	0	0	113.2	I88 M93 D95 K100 H101 F102 D109 P110 R310	I88-W112 HydrophobicContact CD1-CB 4.01Å; I88-W112 WeakPolarHBondContact CD1-O 3.39Å; M93-W112 HydrophobicContact CB-CH2 4.35Å; M93-W112 HydrophobicContact CB-CZ3 4.03Å; M93-W112 HydrophobicContact CE-CD2 4.36Å; M93-W112 HydrophobicContact CE-CE3 3.78Å; M93-W112 HydrophobicContact CE-CZ3 4.29Å; D95-W112 HydrophobicContact CB-CH2 3.72Å; D95-W112 HydrophobicContact CB-CZ3 4.09Å; K100-W112 HydrophobicContact CB-CH2 4.23Å; K100-W112 HydrophobicContact CB-CZ2 3.51Å; H101-W112 VanDerWaalsContact C-CZ2 3.43Å; F102-W112 HydrophobicContact CB-CD2 3.81Å; F102-W112 HydrophobicContact CB-CE3 4.17Å; F102-W112 HydrophobicContact CB-CG 4.27Å; F102-W112 HydrophobicContact CB-CH2 4.19Å; F102-W112 HydrophobicContact CB-CZ2 3.81Å; F102-W112 HydrophobicContact CB-CZ3 4.36Å; F102-W112 HydrophobicContact CD2-CB 3.85Å; F102-W112 AromaticContact CD2-CD1 3.53Å; F102-W112 AromaticContact CD2-CD2 3.94Å; F102-W112 HydrophobicContact CD2-CD2 3.94Å; F102-W112 AromaticContact CD2-CG 3.49Å; F102-W112 HydrophobicContact CD2-CG 3.49Å; F102-W112 VanDerWaalsContact CD2-CG 3.49Å; F102-W112 AromaticContact CD2-NE1 3.94Å; F102-W112 HydrophobicContact CE2-CB 4.09Å; F102-W112 HydrophobicContact CE2-CG 4.22Å; F102-W112 HydrophobicContact CG-CD2 4.23Å; F102-W112 HydrophobicContact CG-CG 4.25Å; D109-W112 PolarHBondContact O-N 3.17Å; D109-W112 VanDerWaalsContact O-N 3.13Å; P110-W112 PolarHBondContact O-N 3.01Å; P110-W112 VanDerWaalsContact O-N 3.13Å; W112-R310 HydrophobicContact CZ3-CG 4.17Å; W112-R310 PolarHBondContact O-NH1 3.28Å
113	W	98.9	Very high	97.9	Very high	1 Å²	1	36.2 Å²	36.2	0%	0.004	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-24.3	-170.2	-53.9	90.1	0	0	0	113.2	F71 Y75 I88 F102 D107 P110 F111 E115 A116 P137 G138 V141 I143	F71-W113 AromaticContact CD1-CH2 3.54Å; F71-W113 HydrophobicContact CD1-CH2 3.54Å; F71-W113 AromaticContact CD1-CZ2 4Å; F71-W113 HydrophobicContact CD1-CZ2 4Å; F71-W113 AromaticContact CE1-CH2 3.86Å; F71-W113 HydrophobicContact CE1-CH2 3.86Å; F71-W113 HydrophobicContact CE1-CZ2 4Å; Y75-W113 AromaticContact CD2-CE3 3.74Å; Y75-W113 HydrophobicContact CD2-CE3 3.74Å; Y75-W113 AromaticContact CD2-CZ3 3.74Å; Y75-W113 HydrophobicContact CD2-CZ3 3.74Å; Y75-W113 HydrophobicContact CE1-CE3 4.38Å; Y75-W113 AromaticContact CE2-CE3 3.6Å; Y75-W113 HydrophobicContact CE2-CE3 3.6Å; Y75-W113 HydrophobicContact CE2-CZ3 4.06Å; Y75-W113 HydrophobicContact CG-CE3 4.24Å; Y75-W113 HydrophobicContact CG-CZ3 4.2Å; Y75-W113 AromaticContact CZ-CE3 3.95Å; Y75-W113 PolarHBondContact OH-O 3.07Å; I88-W113 HydrophobicContact CD1-CD2 3.98Å; I88-W113 HydrophobicContact CD1-CE3 3.88Å; I88-W113 HydrophobicContact CD1-CG 4.47Å; I88-W113 HydrophobicContact CD1-CZ3 4.28Å; I88-W113 HydrophobicContact CG1-CE3 3.93Å; I88-W113 HydrophobicContact CG1-CZ3 4.15Å; F102-W113 HydrophobicContact CE2-CZ2 4.09Å; F102-W113 HydrophobicContact CZ-CZ2 4.15Å; D107-W113 HydrophobicContact CB-CZ2 4.25Å; D107-W113 PolarHBondContact O-NE1 3.25Å; P110-W113 PolarHBondContact O-N 3.44Å; F111-W113 VanDerWaalsContact C-N 3.34Å; F111-W113 PolarHBondContact O-N 3.34Å; W113-E115 PolarHBondContact O-N 2.81Å; W113-A116 PolarHBondContact O-N 3.18Å; W113-P137 HydrophobicContact CH2-CB 4.35Å; W113-G138 VanDerWaalsContact CH2-CA 3.41Å; W113-V141 HydrophobicContact CG-CG1 4.39Å; W113-I143 HydrophobicContact CB-CD1 3.73Å; W113-I143 HydrophobicContact CB-CG1 3.65Å; W113-I143 HydrophobicContact CB-CG2 4.3Å; W113-I143 HydrophobicContact CD2-CD1 4.38Å; W113-I143 HydrophobicContact CE3-CD1 4.38Å; W113-I143 HydrophobicContact CG-CD1 4.15Å; W113-I143 HydrophobicContact CG-CG1 4.22Å
114	N	98.8	Very high	98	Very high	55 Å²	55	36.6 Å²	36.6	29%	0.294	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	7.5	-172.9	-72.3	-22.1	0	0	0	115.3	P110 A116 H144	P110-N114 WeakPolarHBondContact CB-ND2 3.29Å; P110-N114 WeakPolarHBondContact O-CB 3.3Å; P110-N114 PolarHBondContact O-N 2.81Å; P110-N114 PolarHBondContact O-ND2 3.07Å; P110-N114 VanDerWaalsContact O-ND2 3.11Å; P110-N114 PolarHBondContact O-OD1 2.74Å; N114-A116 VanDerWaalsContact C-N 3.29Å; N114-H144 PolarHBondContact O-CE1 3.22Å; N114-H144 PolarHBondContact O-NE2 3.02Å; N114-H144 PolarHBondContact OD1-N 2.96Å
115	E	98.8	Very high	98.4	Very high	84 Å²	84	37.4 Å²	37.4	39%	0.393	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-13.1	169.5	-70.7	-177.6	-156.5	0	0	111.9	G87 W113 N308 R310	G87-E115 WeakPolarHBondContact CA-OE2 3.25Å; W113-E115 PolarHBondContact O-N 2.81Å; E115-N308 PolarHBondContact OE2-ND2 3.46Å; E115-R310 IonicContact OE1-CZ 3.11Å; E115-R310 IonicContact OE1-NE 2.68Å; E115-R310 PolarHBondContact OE1-NE 3.23Å; E115-R310 VanDerWaalsContact OE1-NE 3.11Å; E115-R310 IonicContact OE1-NH1 2.72Å; E115-R310 IonicContact OE1-NH2 3.93Å; E115-R310 PolarHBondContact OE1-NH2 3.21Å
116	A	98.8	Very high	98.7	Very high	6 Å²	6	36.6 Å²	36.6	5%	0.05	19%	0.185	C	C	.	.	S	Bend	trans	-140.5	166.3	173.9	0	0	0	0	0	113.3	Y75 T79 L81 H86 W113 N114 H144	Y75-A116 HydrophobicContact CE1-CB 3.83Å; Y75-A116 PolarHBondContact OH-O 2.78Å; T79-A116 HydrophobicContact CG2-CB 3.78Å; L81-A116 HydrophobicContact CD1-CB 3.7Å; H86-A116 HydrophobicContact CB-CB 3.85Å; W113-A116 PolarHBondContact O-N 3.18Å; N114-A116 VanDerWaalsContact C-N 3.29Å; A116-H144 PolarHBondContact O-CD2 2.91Å; A116-H144 PolarHBondContact O-NE2 2.78Å
117	V	98.9	Very high	98.6	Very high	32 Å²	32	40.6 Å²	40.6	19%	0.194	20%	0.201	C	C	.	.			trans	-112.4	107.6	174.5	-176.2	0	0	0	0	108.7	V121	V117-V121 HydrophobicContact CG1-CB 3.98Å; V117-V121 HydrophobicContact CG1-CG1 3.77Å
118	P	98.9	Very high	98.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.231	C	C	.	.			trans	-76.5	155.5	179.9	31.7	-34.1	0	0	0	111.3	Y75 V78 T79 W120 V121 T122 I143	Y75-P118 HydrophobicContact CE2-CB 3.91Å; Y75-P118 HydrophobicContact CE2-CG 4.08Å; V78-P118 HydrophobicContact CB-CB 4.29Å; V78-P118 HydrophobicContact CG2-CB 3.86Å; V78-P118 CarbonylContact O-C 3.51Å; V78-P118 WeakPolarHBondContact O-CA 3.5Å; T79-P118 HydrophobicContact CG2-CB 4.24Å; P118-W120 HydrophobicContact CB-CD2 3.85Å; P118-W120 HydrophobicContact CB-CE3 3.7Å; P118-W120 HydrophobicContact CB-CH2 3.64Å; P118-W120 HydrophobicContact CB-CZ2 3.8Å; P118-W120 HydrophobicContact CB-CZ3 3.62Å; P118-W120 HydrophobicContact CG-CD2 3.81Å; P118-W120 HydrophobicContact CG-CE3 4.17Å; P118-W120 HydrophobicContact CG-CH2 3.79Å; P118-W120 HydrophobicContact CG-CZ2 3.39Å; P118-W120 HydrophobicContact CG-CZ3 4.17Å; P118-W120 PolarHBondContact O-N 3.11Å; P118-W120 VanDerWaalsContact O-N 3.1Å; P118-V121 HydrophobicContact CG-CB 4.41Å; P118-V121 HydrophobicContact CG-CG2 3.91Å; P118-V121 WeakPolarHBondContact O-CB 3.32Å; P118-V121 PolarHBondContact O-N 3.28Å; P118-T122 PolarHBondContact O-N 2.86Å; P118-I143 HydrophobicContact CG-CD1 3.81Å; P118-I143 HydrophobicContact CG-CG2 4.42Å
119	I	98.9	Very high	98.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-57.8	-31.4	-172	-165.6	172.2	0	0	0	113.9	V78 V121 T122 N123 F180 Y371 M374 L378 L380	V78-I119 HydrophobicContact CB-CG2 4.12Å; V78-I119 HydrophobicContact CG1-CG2 4.35Å; V78-I119 PolarHBondContact O-N 3.27Å; I119-V121 VanDerWaalsContact C-N 3.27Å; I119-V121 PolarHBondContact O-N 3.09Å; I119-T122 PolarHBondContact O-N 2.79Å; I119-N123 WeakPolarHBondContact O-CB 3.45Å; I119-N123 PolarHBondContact O-N 2.88Å; I119-F180 HydrophobicContact CG2-CD1 4.2Å; I119-F180 HydrophobicContact CG2-CE1 3.5Å; I119-F180 HydrophobicContact CG2-CE2 3.92Å; I119-F180 HydrophobicContact CG2-CZ 3.33Å; I119-Y371 HydrophobicContact CB-CD2 4.03Å; I119-Y371 HydrophobicContact CB-CE2 3.8Å; I119-Y371 HydrophobicContact CD1-CD2 4.46Å; I119-Y371 HydrophobicContact CG1-CE2 4.23Å; I119-M374 HydrophobicContact CD1-CB 3.43Å; I119-M374 VanDerWaalsContact CD1-CB 3.43Å; I119-M374 HydrophobicContact CD1-CE 4.2Å; I119-M374 HydrophobicContact CG2-CE 4.17Å; I119-L378 HydrophobicContact CD1-CD1 4.23Å; I119-L380 HydrophobicContact CD1-CD1 4.36Å; I119-L380 HydrophobicContact CG1-CD1 3.97Å
120	W	98.9	Very high	98.5	Very high	1 Å²	1	40.5 Å²	40.5	0%	0.004	20%	0.203	C	C	.	.	H	α-helix	trans	-65.6	-32	176.7	65.9	86.7	0	0	0	112.2	Y75 V78 P118 Q124 S131 W136 T139 I143 F180	Y75-W120 HydrophobicContact CD2-CH2 4.43Å; Y75-W120 HydrophobicContact CE2-CH2 4.17Å; V78-W120 HydrophobicContact CB-CE3 4.29Å; V78-W120 HydrophobicContact CB-CZ3 3.91Å; V78-W120 HydrophobicContact CG1-CE3 4.37Å; V78-W120 HydrophobicContact CG1-CZ3 4.01Å; V78-W120 HydrophobicContact CG2-CE3 4.39Å; V78-W120 HydrophobicContact CG2-CH2 4.18Å; V78-W120 HydrophobicContact CG2-CZ3 3.58Å; P118-W120 HydrophobicContact CB-CD2 3.85Å; P118-W120 HydrophobicContact CB-CE3 3.7Å; P118-W120 HydrophobicContact CB-CH2 3.64Å; P118-W120 HydrophobicContact CB-CZ2 3.8Å; P118-W120 HydrophobicContact CB-CZ3 3.62Å; P118-W120 HydrophobicContact CG-CD2 3.81Å; P118-W120 HydrophobicContact CG-CE3 4.17Å; P118-W120 HydrophobicContact CG-CH2 3.79Å; P118-W120 HydrophobicContact CG-CZ2 3.39Å; P118-W120 HydrophobicContact CG-CZ3 4.17Å; P118-W120 PolarHBondContact O-N 3.11Å; P118-W120 VanDerWaalsContact O-N 3.1Å; W120-Q124 WeakPolarHBondContact O-CB 3.34Å; W120-Q124 PolarHBondContact O-N 3.49Å; W120-S131 PolarHBondContact O-OG 2.85Å; W120-W136 AromaticContact CZ3-CD1 3.89Å; W120-W136 AromaticContact CZ3-NE1 4Å; W120-T139 HydrophobicContact CD2-CG2 4.03Å; W120-T139 HydrophobicContact CE3-CG2 4Å; W120-T139 HydrophobicContact CH2-CG2 3.97Å; W120-T139 HydrophobicContact CZ2-CG2 3.97Å; W120-T139 HydrophobicContact CZ3-CG2 3.95Å; W120-I143 HydrophobicContact CH2-CD1 4.4Å; W120-I143 HydrophobicContact CZ2-CD1 3.54Å; W120-F180 HydrophobicContact CB-CD1 3.78Å; W120-F180 HydrophobicContact CB-CE1 3.85Å
121	V	98.9	Very high	98.5	Very high	2 Å²	2	39 Å²	39	1%	0.012	19%	0.193	C	C	.	.	H	α-helix	trans	-70.2	-48.7	173.2	172.2	0	0	0	0	109.5	V117 P118 I119 N123 Q124 L125 I143 T146	V117-V121 HydrophobicContact CG1-CB 3.98Å; V117-V121 HydrophobicContact CG1-CG1 3.77Å; P118-V121 HydrophobicContact CG-CB 4.41Å; P118-V121 HydrophobicContact CG-CG2 3.91Å; P118-V121 WeakPolarHBondContact O-CB 3.32Å; P118-V121 PolarHBondContact O-N 3.28Å; I119-V121 VanDerWaalsContact C-N 3.27Å; I119-V121 PolarHBondContact O-N 3.09Å; V121-N123 VanDerWaalsContact C-N 3.26Å; V121-N123 PolarHBondContact O-N 3.43Å; V121-Q124 PolarHBondContact O-N 3.12Å; V121-Q124 VanDerWaalsContact O-N 3.14Å; V121-L125 HydrophobicContact CG1-CD1 3.89Å; V121-L125 HydrophobicContact CG1-CG 4.38Å; V121-L125 WeakPolarHBondContact O-CG 3.42Å; V121-L125 PolarHBondContact O-N 3.48Å; V121-I143 HydrophobicContact CG2-CB 4.3Å; V121-T146 HydrophobicContact CB-CG2 4.49Å; V121-T146 HydrophobicContact CG1-CG2 3.99Å; V121-T146 HydrophobicContact CG2-CG2 4.36Å
122	T	98.8	Very high	98.5	Very high	9 Å²	9	36.2 Å²	36.2	6%	0.055	18%	0.181	C	C	.	.	H	α-helix	trans	-56.7	-40.4	176.9	-51.5	0	0	0	0	112.2	P118 I119 Q126 L380 H383	P118-T122 PolarHBondContact O-N 2.86Å; I119-T122 PolarHBondContact O-N 2.79Å; T122-Q126 PolarHBondContact O-NE2 3.03Å; T122-L380 HydrophobicContact CG2-CB 4.43Å; T122-H383 PolarHBondContact OG1-CD2 2.73Å
123	N	98.9	Very high	98.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-70	-43.1	175.9	-179.7	81.2	0	0	0	112.3	I119 V121 L125 Q126 S130 S131 T179 F180 L380	I119-N123 WeakPolarHBondContact O-CB 3.45Å; I119-N123 PolarHBondContact O-N 2.88Å; V121-N123 VanDerWaalsContact C-N 3.26Å; V121-N123 PolarHBondContact O-N 3.43Å; N123-L125 VanDerWaalsContact C-N 3.26Å; N123-L125 PolarHBondContact O-N 3.27Å; N123-Q126 WeakPolarHBondContact O-CB 3.27Å; N123-Q126 PolarHBondContact O-N 3.22Å; N123-S130 VanDerWaalsContact ND2-C 3.34Å; N123-S130 PolarHBondContact ND2-O 3.01Å; N123-S131 PolarHBondContact ND2-OG 3.01Å; N123-T179 PolarHBondContact ND2-OG1 3.38Å; N123-T179 PolarHBondContact OD1-OG1 3.26Å; N123-F180 HydrophobicContact CB-CB 4.07Å; N123-L380 HydrophobicContact CB-CD1 3.89Å
124	Q	98.8	Very high	98.5	Very high	36 Å²	36	36 Å²	36	17%	0.168	18%	0.18	C	C	.	.	H	α-helix	trans	-65.4	-28.8	-178.1	-177.3	61.6	63.7	0	0	113.2	W120 V121 Q126 T146 T147 S149	W120-Q124 WeakPolarHBondContact O-CB 3.34Å; W120-Q124 PolarHBondContact O-N 3.49Å; V121-Q124 PolarHBondContact O-N 3.12Å; V121-Q124 VanDerWaalsContact O-N 3.14Å; Q124-Q126 VanDerWaalsContact C-N 3.27Å; Q124-Q126 PolarHBondContact O-N 2.87Å; Q124-T146 HydrophobicContact CB-CG2 4.19Å; Q124-T146 HydrophobicContact CG-CG2 3.89Å; Q124-T147 WeakPolarHBondContact CG-O 3.19Å; Q124-S149 PolarHBondContact NE2-OG 3.13Å; Q124-S149 PolarHBondContact OE1-OG 3.25Å
125	L	98.4	Very high	98.5	Very high	114 Å²	114	33.7 Å²	33.7	60%	0.597	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-6.8	178	-68.5	172.9	0	0	0	113.6	V121 N123 T146	V121-L125 HydrophobicContact CG1-CD1 3.89Å; V121-L125 HydrophobicContact CG1-CG 4.38Å; V121-L125 WeakPolarHBondContact O-CG 3.42Å; V121-L125 PolarHBondContact O-N 3.48Å; N123-L125 VanDerWaalsContact C-N 3.26Å; N123-L125 PolarHBondContact O-N 3.27Å; L125-T146 HydrophobicContact CD2-CG2 4.26Å; L125-T146 HydrophobicContact CG-CG2 4.4Å
126	Q	97.9	Very high	98.5	Very high	83 Å²	83	29.7 Å²	29.7	39%	0.388	15%	0.149	S	C	.	.	S	Bend	trans	-77	141.4	173.9	-60	-57.9	-57.7	0	0	110.8	T122 N123 Q124 R129 L380	T122-Q126 PolarHBondContact O-NE2 3.03Å; N123-Q126 WeakPolarHBondContact O-CB 3.27Å; N123-Q126 PolarHBondContact O-N 3.22Å; Q124-Q126 VanDerWaalsContact C-N 3.27Å; Q124-Q126 PolarHBondContact O-N 2.87Å; Q126-R129 HydrophobicContact CB-CB 4.13Å; Q126-R129 HydrophobicContact CB-CG 4.21Å; Q126-L380 HydrophobicContact CG-CD2 3.57Å
127	E	95.9	Very high	98.5	Very high	174 Å²	174	30 Å²	30	81%	0.813	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	141.3	172.8	-66	-175.1	178.4	0	0	111.1	R129	E127-R129 PolarHBondContact O-N 3.23Å
128	N	96.1	Very high	98.5	Very high	128 Å²	128	28.4 Å²	28.4	68%	0.684	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	56	30.3	178.5	-58.2	-45	0	0	0	114.8	P177	N128-P177 WeakPolarHBondContact O-CD 3.34Å; N128-P177 WeakPolarHBondContact O-CG 3.46Å
129	R	98.1	Very high	98.5	Very high	30 Å²	30	28.5 Å²	28.5	11%	0.113	14%	0.141	C	C	.	.			trans	-134.7	151.9	173.1	-61.8	177.8	84.3	168.5	9.5	110.6	Q126 E127 T179 L378	Q126-R129 HydrophobicContact CB-CB 4.13Å; Q126-R129 HydrophobicContact CB-CG 4.21Å; E127-R129 PolarHBondContact O-N 3.23Å; R129-T179 HydrophobicContact CB-CG2 4.48Å; R129-T179 HydrophobicContact CG-CG2 4.11Å; R129-T179 PolarHBondContact NE-OG1 2.84Å; R129-L378 VanDerWaalsContact CZ-O 3.3Å; R129-L378 PolarHBondContact NH1-O 3Å; R129-L378 PolarHBondContact NH2-O 3.05Å
130	S	98.8	Very high	98.4	Very high	3 Å²	3	29.1 Å²	29.1	2%	0.021	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	153.5	173.9	-77.8	0	0	0	0	111.4	N123 S149 P177 V178 T179	N123-S130 VanDerWaalsContact ND2-C 3.34Å; N123-S130 PolarHBondContact ND2-O 3.01Å; S130-S149 WeakPolarHBondContact CB-OG 3.33Å; S130-S149 PolarHBondContact OG-OG 3.09Å; S130-P177 PolarHBondContact N-O 3.3Å; S130-V178 WeakPolarHBondContact O-CA 3.33Å; S130-T179 PolarHBondContact O-N 2.81Å
131	S	98.9	Very high	98.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	148.1	166	-62.2	0	0	0	0	110.5	W120 N123 S148 S149 Y150 F180	W120-S131 PolarHBondContact O-OG 2.85Å; N123-S131 PolarHBondContact ND2-OG 3.01Å; S131-S148 WeakPolarHBondContact CB-OG 3.29Å; S131-S148 WeakPolarHBondContact O-CB 3.47Å; S131-S149 PolarHBondContact O-N 3.09Å; S131-S149 VanDerWaalsContact O-N 3.12Å; S131-Y150 PolarHBondContact O-N 3.18Å; S131-F180 CarbonylContact C-O 3.56Å; S131-F180 VanDerWaalsContact CA-O 3.32Å; S131-F180 WeakPolarHBondContact CA-O 3.4Å
132	A	98.9	Very high	98.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	149.1	174.2	0	0	0	0	0	111.2	Y150 I167 W170 V178 F180 A181 T182	A132-Y150 CarbonylContact C-O 3.46Å; A132-Y150 WeakPolarHBondContact CA-O 3.29Å; A132-Y150 HydrophobicContact CB-CD2 4.3Å; A132-I167 HydrophobicContact CB-CD1 3.77Å; A132-W170 HydrophobicContact CB-CB 4.15Å; A132-W170 HydrophobicContact CB-CE3 3.92Å; A132-V178 HydrophobicContact CB-CG1 3.61Å; A132-V178 HydrophobicContact CB-CG2 4.14Å; A132-F180 PolarHBondContact N-O 3.24Å; A132-A181 HydrophobicContact CB-CB 4.42Å; A132-A181 CarbonylContact O-C 3.54Å; A132-A181 WeakPolarHBondContact O-CA 3.37Å; A132-T182 PolarHBondContact O-N 3.49Å
133	A	98.9	Very high	98.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	138.2	-178.3	0	0	0	0	0	113.2	T139 Y150 F151 M152 W170 T182	A133-T139 VanDerWaalsContact CB-CB 3.44Å; A133-T139 HydrophobicContact CB-CG2 3.68Å; A133-T139 WeakPolarHBondContact CB-OG1 3.45Å; A133-Y150 PolarHBondContact N-O 2.99Å; A133-F151 HydrophobicContact CB-CB 4.19Å; A133-F151 WeakPolarHBondContact O-CA 3.42Å; A133-M152 PolarHBondContact O-N 3.26Å; A133-W170 WeakPolarHBondContact O-CZ3 3.21Å; A133-T182 WeakPolarHBondContact CB-OG1 3.43Å
134	A	98.9	Very high	98.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	97.5	170.9	0	0	0	0	0	109.5	W136 M152 R163 I167 T182 L183 Y184	A134-W136 VanDerWaalsContact C-N 3.29Å; A134-W136 PolarHBondContact O-N 2.99Å; A134-M152 HydrophobicContact CB-CE 4.23Å; A134-M152 HydrophobicContact CB-SD 3.94Å; A134-R163 HydrophobicContact CB-CB 4.13Å; A134-I167 HydrophobicContact CB-CB 4.28Å; A134-I167 HydrophobicContact CB-CD1 4.43Å; A134-T182 PolarHBondContact N-O 3.22Å; A134-L183 HydrophobicContact CB-CD1 3.83Å; A134-Y184 PolarHBondContact O-N 3.26Å
135	M	98.6	Very high	98.3	Very high	5 Å²	5	40.9 Å²	40.9	3%	0.025	21%	0.208	C	C	.	.	S	Bend	trans	68.3	5.1	171.8	-50.5	-53.1	-172	0	0	117.7	M152 Y154 N155 V158 R163 Y184	M135-M152 HydrophobicContact CE-CB 3.87Å; M135-M152 HydrophobicContact CE-CG 4.49Å; M135-M152 HydrophobicContact CE-SD 3.85Å; M135-M152 HydrophobicContact SD-CB 3.69Å; M135-M152 HydrophobicContact SD-SD 4.4Å; M135-Y154 HydrophobicContact CB-CD2 4.17Å; M135-Y154 HydrophobicContact CB-CE2 4.46Å; M135-N155 HydrophobicContact CE-CB 4.25Å; M135-V158 HydrophobicContact CE-CB 3.58Å; M135-V158 HydrophobicContact CE-CG1 3.99Å; M135-V158 HydrophobicContact CE-CG2 3.52Å; M135-R163 HydrophobicContact CG-CG 4.18Å; M135-Y184 HydrophobicContact CB-CD1 3.92Å; M135-Y184 WeakPolarHBondContact O-CD1 3.22Å
136	W	98.9	Very high	98.4	Very high	1 Å²	1	36.5 Å²	36.5	0%	0.004	19%	0.186	C	C	.	.			trans	-65.3	136	-179.8	-173.9	-74.2	0	0	0	111.9	L30 S32 H74 I77 V78 W120 A134 G138 T139 T182	L30-W136 HydrophobicContact CD2-CH2 3.42Å; L30-W136 VanDerWaalsContact CD2-CH2 3.42Å; L30-W136 HydrophobicContact CD2-CZ2 3.93Å; L30-W136 HydrophobicContact CD2-CZ3 3.74Å; L30-W136 HydrophobicContact CG-CH2 3.8Å; L30-W136 HydrophobicContact CG-CZ3 3.71Å; S32-W136 VanDerWaalsContact CB-CZ3 3.47Å; H74-W136 HydrophobicContact CB-CZ2 4.13Å; H74-W136 AromaticContact CD2-CE2 3.82Å; H74-W136 AromaticContact CD2-CH2 3.77Å; H74-W136 AromaticContact CD2-CZ2 3.59Å; I77-W136 HydrophobicContact CB-CZ2 4.3Å; I77-W136 HydrophobicContact CD1-CH2 4.12Å; I77-W136 HydrophobicContact CD1-CZ2 4.33Å; I77-W136 HydrophobicContact CG2-CH2 4.19Å; I77-W136 HydrophobicContact CG2-CZ2 4.25Å; V78-W136 HydrophobicContact CG1-CZ2 3.66Å; W120-W136 AromaticContact CZ3-CD1 3.89Å; W120-W136 AromaticContact CZ3-NE1 4Å; A134-W136 VanDerWaalsContact C-N 3.29Å; A134-W136 PolarHBondContact O-N 2.99Å; W136-G138 PolarHBondContact O-N 2.92Å; W136-T139 HydrophobicContact CB-CG2 3.73Å; W136-T139 HydrophobicContact CG-CG2 4.13Å; W136-T139 WeakPolarHBondContact O-CB 3.25Å; W136-T139 PolarHBondContact O-N 3.24Å; W136-T139 PolarHBondContact O-OG1 3.19Å; W136-T182 HydrophobicContact CB-CG2 4.42Å; W136-T182 WeakPolarHBondContact CB-OG1 3.46Å; W136-T182 HydrophobicContact CD2-CG2 3.96Å; W136-T182 HydrophobicContact CE3-CG2 3.99Å; W136-T182 HydrophobicContact CG-CG2 4.14Å
137	P	98.8	Very high	98.3	Very high	11 Å²	11	35.1 Å²	35.1	7%	0.071	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	124.5	-178.7	-29.8	35.9	0	0	0	114.1	F71 H74 W113 T139	F71-P137 HydrophobicContact CD1-CB 4.05Å; F71-P137 HydrophobicContact CE1-CB 4.09Å; F71-P137 HydrophobicContact CG-CB 4.46Å; H74-P137 HydrophobicContact CB-CB 4.33Å; H74-P137 HydrophobicContact CB-CG 4.02Å; W113-P137 HydrophobicContact CH2-CB 4.35Å; P137-T139 VanDerWaalsContact C-N 3.35Å; P137-T139 PolarHBondContact O-N 2.65Å
138	G	98.5	Very high	98.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	-2.7	178.9	0	0	0	0	0	115.7	W113 W136 D140 V141	W113-G138 VanDerWaalsContact CH2-CA 3.41Å; W136-G138 PolarHBondContact O-N 2.92Å; G138-D140 VanDerWaalsContact C-N 3.32Å; G138-D140 PolarHBondContact O-N 2.97Å; G138-V141 PolarHBondContact O-N 3.31Å
139	T	98.8	Very high	98.6	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.006	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-16.8	-179.6	56.8	0	0	0	0	114.6	W120 A133 W136 P137 V141	W120-T139 HydrophobicContact CD2-CG2 4.03Å; W120-T139 HydrophobicContact CE3-CG2 4Å; W120-T139 HydrophobicContact CH2-CG2 3.97Å; W120-T139 HydrophobicContact CZ2-CG2 3.97Å; W120-T139 HydrophobicContact CZ3-CG2 3.95Å; A133-T139 VanDerWaalsContact CB-CB 3.44Å; A133-T139 HydrophobicContact CB-CG2 3.68Å; A133-T139 WeakPolarHBondContact CB-OG1 3.45Å; W136-T139 HydrophobicContact CB-CG2 3.73Å; W136-T139 HydrophobicContact CG-CG2 4.13Å; W136-T139 WeakPolarHBondContact O-CB 3.25Å; W136-T139 PolarHBondContact O-N 3.24Å; W136-T139 PolarHBondContact O-OG1 3.19Å; P137-T139 VanDerWaalsContact C-N 3.35Å; P137-T139 PolarHBondContact O-N 2.65Å; T139-V141 VanDerWaalsContact C-N 3.33Å
140	D	98.5	Very high	98.6	Very high	14 Å²	14	25.3 Å²	25.3	8%	0.075	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	19.2	171.4	65.6	-23.4	0	0	0	112.9	K108 G138 F151 Y154	K108-D140 WeakPolarHBondContact CE-OD2 3.41Å; K108-D140 IonicContact NZ-OD2 2.63Å; K108-D140 PolarHBondContact NZ-OD2 3.48Å; G138-D140 VanDerWaalsContact C-N 3.32Å; G138-D140 PolarHBondContact O-N 2.97Å; D140-F151 HydrophobicContact CB-CD2 3.72Å; D140-F151 HydrophobicContact CB-CE2 3.96Å; D140-Y154 PolarHBondContact OD2-N 2.86Å
141	V	98.8	Very high	98.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.153	C	C	.	.	S	Bend	trans	-116.2	135.2	176.1	-174.7	0	0	0	0	110.7	P110 W113 G138 T139 I143	P110-V141 HydrophobicContact CB-CG1 4.33Å; P110-V141 HydrophobicContact CG-CG1 4.01Å; W113-V141 HydrophobicContact CG-CG1 4.39Å; G138-V141 PolarHBondContact O-N 3.31Å; T139-V141 VanDerWaalsContact C-N 3.33Å; V141-I143 HydrophobicContact CB-CG1 4.34Å; V141-I143 HydrophobicContact CG1-CG1 4.29Å; V141-I143 PolarHBondContact O-N 3.23Å
142	P	98.4	Very high	98.6	Very high	55 Å²	55	29.8 Å²	29.8	36%	0.357	16%	0.158	S	C	.	.			trans	-77.1	85	174.8	30.5	-33.5	0	0	0	111.8	P110 T147	P110-P142 HydrophobicContact CG-CG 3.84Å; P142-T147 HydrophobicContact CB-CG2 3.76Å
143	I	98.8	Very high	98.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-79.3	123.8	179.7	-56.6	174.6	0	0	0	109.4	Y75 W113 P118 W120 V121 V141 N145 T146	Y75-I143 HydrophobicContact CE2-CD1 4.2Å; W113-I143 HydrophobicContact CB-CD1 3.73Å; W113-I143 HydrophobicContact CB-CG1 3.65Å; W113-I143 HydrophobicContact CB-CG2 4.3Å; W113-I143 HydrophobicContact CD2-CD1 4.38Å; W113-I143 HydrophobicContact CE3-CD1 4.38Å; W113-I143 HydrophobicContact CG-CD1 4.15Å; W113-I143 HydrophobicContact CG-CG1 4.22Å; P118-I143 HydrophobicContact CG-CD1 3.81Å; P118-I143 HydrophobicContact CG-CG2 4.42Å; W120-I143 HydrophobicContact CH2-CD1 4.4Å; W120-I143 HydrophobicContact CZ2-CD1 3.54Å; V121-I143 HydrophobicContact CG2-CB 4.3Å; V141-I143 HydrophobicContact CB-CG1 4.34Å; V141-I143 HydrophobicContact CG1-CG1 4.29Å; V141-I143 PolarHBondContact O-N 3.23Å; I143-N145 PolarHBondContact O-N 3.23Å; I143-T146 PolarHBondContact N-O 2.9Å; I143-T146 VanDerWaalsContact N-O 3.13Å; I143-T146 PolarHBondContact O-N 3.39Å
144	H	98.4	Very high	98.5	Very high	84 Å²	84	39.3 Å²	39.3	39%	0.389	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.6	45	-170.1	-64.7	-77	0	0	0	112.6	N114 A116 T146	N114-H144 PolarHBondContact O-CE1 3.22Å; N114-H144 PolarHBondContact O-NE2 3.02Å; N114-H144 PolarHBondContact OD1-N 2.96Å; A116-H144 PolarHBondContact O-CD2 2.91Å; A116-H144 PolarHBondContact O-NE2 2.78Å; H144-T146 PolarHBondContact O-N 2.73Å; H144-T146 VanDerWaalsContact O-N 3.15Å; H144-T146 PolarHBondContact O-OG1 2.94Å
145	N	98.1	Very high	98.5	Very high	156 Å²	156	43 Å²	43	83%	0.834	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.1	19.8	-177.8	-57.7	-36.3	0	0	0	114.7	I143	I143-N145 PolarHBondContact O-N 3.23Å
146	T	98.5	Very high	98.4	Very high	22 Å²	22	45.9 Å²	45.9	14%	0.135	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-121.8	135.1	-179.5	-55	0	0	0	0	110.3	V121 Q124 L125 I143 H144	V121-T146 HydrophobicContact CB-CG2 4.49Å; V121-T146 HydrophobicContact CG1-CG2 3.99Å; V121-T146 HydrophobicContact CG2-CG2 4.36Å; Q124-T146 HydrophobicContact CB-CG2 4.19Å; Q124-T146 HydrophobicContact CG-CG2 3.89Å; L125-T146 HydrophobicContact CD2-CG2 4.26Å; L125-T146 HydrophobicContact CG-CG2 4.4Å; I143-T146 PolarHBondContact N-O 2.9Å; I143-T146 VanDerWaalsContact N-O 3.13Å; I143-T146 PolarHBondContact O-N 3.39Å; H144-T146 PolarHBondContact O-N 2.73Å; H144-T146 VanDerWaalsContact O-N 3.15Å; H144-T146 PolarHBondContact O-OG1 2.94Å
147	T	97.1	Very high	98.4	Very high	53 Å²	53	50.9 Å²	50.9	33%	0.325	28%	0.279	S	S	.	.			trans	-125.1	157.2	171.9	49.6	0	0	0	0	109.6	Q124 P142 F151	Q124-T147 WeakPolarHBondContact CG-O 3.19Å; P142-T147 HydrophobicContact CB-CG2 3.76Å; T147-F151 HydrophobicContact CG2-CE1 4.48Å
148	S	98.4	Very high	98.4	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.014	28%	0.281	C	S	.	.			trans	-59.2	146.8	170.4	-66.3	0	0	0	0	110.8	S131 Y150 F151	S131-S148 WeakPolarHBondContact CB-OG 3.29Å; S131-S148 WeakPolarHBondContact O-CB 3.47Å; S148-Y150 WeakPolarHBondContact CB-O 3.35Å; S148-Y150 PolarHBondContact O-N 2.76Å; S148-F151 WeakPolarHBondContact O-CD1 3.49Å
149	S	98.6	Very high	98.4	Very high	55 Å²	55	54 Å²	54	39%	0.385	30%	0.299	S	S	.	.	S	Bend	trans	-58.6	-32.7	175.4	-60.5	0	0	0	0	112.3	Q124 S130 S131	Q124-S149 PolarHBondContact NE2-OG 3.13Å; Q124-S149 PolarHBondContact OE1-OG 3.25Å; S130-S149 WeakPolarHBondContact CB-OG 3.33Å; S130-S149 PolarHBondContact OG-OG 3.09Å; S131-S149 PolarHBondContact O-N 3.09Å; S131-S149 VanDerWaalsContact O-N 3.12Å
150	Y	98.8	Very high	98.4	Very high	70 Å²	70	54.3 Å²	54.3	28%	0.275	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	127.4	174.1	-49.1	-83.2	0	0	0	108.7	S131 A132 A133 S148 W170 S174 V178	S131-Y150 PolarHBondContact O-N 3.18Å; A132-Y150 CarbonylContact C-O 3.46Å; A132-Y150 WeakPolarHBondContact CA-O 3.29Å; A132-Y150 HydrophobicContact CB-CD2 4.3Å; A133-Y150 PolarHBondContact N-O 2.99Å; S148-Y150 WeakPolarHBondContact CB-O 3.35Å; S148-Y150 PolarHBondContact O-N 2.76Å; Y150-W170 AromaticContact CD1-CD1 3.8Å; Y150-W170 HydrophobicContact CD1-CD2 4.4Å; Y150-W170 HydrophobicContact CD1-CG 4.25Å; Y150-W170 AromaticContact CD1-NE1 3.7Å; Y150-W170 HydrophobicContact CD2-CB 4.37Å; Y150-W170 HydrophobicContact CD2-CG 4.28Å; Y150-W170 AromaticContact CG-CD1 3.96Å; Y150-W170 HydrophobicContact CG-CD2 4.02Å; Y150-W170 AromaticContact CG-CG 3.94Å; Y150-W170 HydrophobicContact CG-CG 3.94Å; Y150-S174 VanDerWaalsContact CE2-OG 3.3Å; Y150-S174 WeakPolarHBondContact CE2-OG 3.44Å; Y150-S174 PolarHBondContact OH-OG 2.77Å; Y150-V178 HydrophobicContact CD2-CG2 3.78Å; Y150-V178 HydrophobicContact CE2-CG2 3.71Å
151	F	98.6	Very high	98.4	Very high	74 Å²	74	60 Å²	60	33%	0.325	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	158.7	171.8	65.1	-87.1	0	0	0	110.1	A133 D140 T147 S148	A133-F151 HydrophobicContact CB-CB 4.19Å; A133-F151 WeakPolarHBondContact O-CA 3.42Å; D140-F151 HydrophobicContact CB-CD2 3.72Å; D140-F151 HydrophobicContact CB-CE2 3.96Å; T147-F151 HydrophobicContact CG2-CE1 4.48Å; S148-F151 WeakPolarHBondContact O-CD1 3.49Å
152	M	98.8	Very high	98.4	Very high	22 Å²	22	64.7 Å²	64.7	11%	0.108	35%	0.349	C	S	.	.			trans	-105.8	131.8	171.2	-60.2	-176.8	177.5	0	0	108.8	A133 A134 M135 Y154 R163 N166 W170	A133-M152 PolarHBondContact O-N 3.26Å; A134-M152 HydrophobicContact CB-CE 4.23Å; A134-M152 HydrophobicContact CB-SD 3.94Å; M135-M152 HydrophobicContact CE-CB 3.87Å; M135-M152 HydrophobicContact CE-CG 4.49Å; M135-M152 HydrophobicContact CE-SD 3.85Å; M135-M152 HydrophobicContact SD-CB 3.69Å; M135-M152 HydrophobicContact SD-SD 4.4Å; M152-Y154 PolarHBondContact O-N 3.46Å; M152-R163 HydrophobicContact SD-CG 4.41Å; M152-N166 HydrophobicContact CE-CB 3.35Å; M152-N166 WeakPolarHBondContact CE-ND2 3.32Å; M152-W170 HydrophobicContact CE-CH2 3.69Å; M152-W170 HydrophobicContact CE-CZ3 4.1Å; M152-W170 HydrophobicContact CG-CH2 3.99Å
153	N	98.5	Very high	98.5	Very high	101 Å²	101	62 Å²	62	54%	0.54	33%	0.332	S	S	.	.			trans	-59.8	134.6	163.4	-74.6	-60.5	0	0	0	108.6	K108 N155	K108-N153 PolarHBondContact NZ-OD1 3.14Å; N153-N155 PolarHBondContact O-N 3Å
154	Y	98.4	Very high	98.5	Very high	99 Å²	99	62.3 Å²	62.3	39%	0.388	33%	0.333	S	S	.	.			trans	-56.1	124.7	-176.8	-174.8	-101	0	0	0	111.7	M135 D140 M152 Y184 E186	M135-Y154 HydrophobicContact CB-CD2 4.17Å; M135-Y154 HydrophobicContact CB-CE2 4.46Å; D140-Y154 PolarHBondContact OD2-N 2.86Å; M152-Y154 PolarHBondContact O-N 3.46Å; Y154-Y184 HydrophobicContact CE2-CD1 4.25Å; Y154-Y184 AromaticContact CE2-CE1 3.85Å; Y154-Y184 HydrophobicContact CE2-CE1 3.85Å; Y154-E186 PolarHBondContact OH-OE1 3.43Å
155	N	98.3	Very high	98.5	Very high	77 Å²	77	60.3 Å²	60.3	41%	0.412	33%	0.325	S	S	.	.			trans	-152.9	103.1	173.7	179.9	-3.7	0	0	0	109.3	M135 N153 S157 V158	M135-N155 HydrophobicContact CE-CB 4.25Å; N153-N155 PolarHBondContact O-N 3Å; N155-S157 PolarHBondContact O-N 2.85Å; N155-S157 VanDerWaalsContact OD1-CB 3.31Å; N155-S157 WeakPolarHBondContact OD1-CB 3.5Å; N155-S157 PolarHBondContact OD1-N 3.42Å; N155-V158 HydrophobicContact CB-CG2 3.92Å; N155-V158 WeakPolarHBondContact O-CB 3.35Å; N155-V158 PolarHBondContact O-N 3.38Å
156	S	97.5	Very high	98.5	Very high	67 Å²	67	55.6 Å²	55.6	47%	0.469	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-15.2	-178.4	56.9	0	0	0	0	114.2	V158 R163 E186	S156-V158 VanDerWaalsContact C-N 3.31Å; S156-R163 PolarHBondContact O-NH2 3.26Å; S156-E186 WeakPolarHBondContact CA-OE1 3.5Å
157	S	98.3	Very high	98.5	Very high	106 Å²	106	54.6 Å²	54.6	74%	0.741	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-14.6	176.3	-56.2	0	0	0	0	113.3	N155 S159	N155-S157 PolarHBondContact O-N 2.85Å; N155-S157 VanDerWaalsContact OD1-CB 3.31Å; N155-S157 WeakPolarHBondContact OD1-CB 3.5Å; N155-S157 PolarHBondContact OD1-N 3.42Å; S157-S159 PolarHBondContact O-N 3.01Å
158	V	98.7	Very high	98.6	Very high	21 Å²	21	52 Å²	52	13%	0.127	28%	0.278	C	S	.	.	S	Bend	trans	-70.3	125.7	177.2	178.5	0	0	0	0	109	M135 N155 S156 E162 R163	M135-V158 HydrophobicContact CE-CB 3.58Å; M135-V158 HydrophobicContact CE-CG1 3.99Å; M135-V158 HydrophobicContact CE-CG2 3.52Å; N155-V158 HydrophobicContact CB-CG2 3.92Å; N155-V158 WeakPolarHBondContact O-CB 3.35Å; N155-V158 PolarHBondContact O-N 3.38Å; S156-V158 VanDerWaalsContact C-N 3.31Å; V158-E162 HydrophobicContact CG1-CB 3.93Å; V158-E162 HydrophobicContact CG1-CG 3.98Å; V158-R163 HydrophobicContact CG1-CG 3.96Å; V158-R163 PolarHBondContact O-NE 3.4Å; V158-R163 PolarHBondContact O-NH2 3.4Å
159	S	98.8	Very high	98.6	Very high	55 Å²	55	54.9 Å²	54.9	39%	0.385	29%	0.292	S	S	.	.			trans	-62.7	152	-177.3	71.3	0	0	0	0	112.7	S157 E161 E162 R163	S157-S159 PolarHBondContact O-N 3.01Å; S159-E161 PolarHBondContact O-N 3.46Å; S159-E162 PolarHBondContact O-N 2.95Å; S159-E162 WeakPolarHBondContact OG-CB 3.3Å; S159-E162 PolarHBondContact OG-N 3.35Å; S159-R163 WeakPolarHBondContact O-CG 3.29Å; S159-R163 PolarHBondContact O-N 2.89Å; S159-R163 VanDerWaalsContact O-N 3.13Å
160	F	98.8	Very high	98.6	Very high	8 Å²	8	54.6 Å²	54.6	4%	0.035	28%	0.283	C	S	.	.	H	α-helix	trans	-58.6	-38.1	173.6	-174.1	-92.9	0	0	0	111.9	F33 E162 R163 L164 L183 W185 L213	F33-F160 HydrophobicContact CE1-CD2 4.48Å; F33-F160 AromaticContact CE1-CE2 3.73Å; F33-F160 HydrophobicContact CE1-CE2 3.73Å; F33-F160 HydrophobicContact CE1-CZ 4.13Å; F33-F160 AromaticContact CZ-CE2 3.99Å; F33-F160 HydrophobicContact CZ-CE2 3.99Å; F33-F160 AromaticContact CZ-CZ 3.98Å; F33-F160 HydrophobicContact CZ-CZ 3.98Å; F160-E162 VanDerWaalsContact C-N 3.35Å; F160-E162 PolarHBondContact O-N 3.07Å; F160-R163 PolarHBondContact O-N 3.31Å; F160-L164 HydrophobicContact CD1-CB 4.26Å; F160-L164 HydrophobicContact CD1-CD2 4.5Å; F160-L164 HydrophobicContact CE1-CB 4.11Å; F160-L164 HydrophobicContact CE1-CD2 4Å; F160-L164 HydrophobicContact CE1-CG 4.5Å; F160-L164 VanDerWaalsContact O-CB 3.23Å; F160-L164 WeakPolarHBondContact O-CB 3.46Å; F160-L164 PolarHBondContact O-N 3.21Å; F160-L183 HydrophobicContact CE2-CD2 4.1Å; F160-L183 HydrophobicContact CE2-CG 4.45Å; F160-L183 HydrophobicContact CZ-CD2 4.01Å; F160-W185 HydrophobicContact CB-CD2 4.14Å; F160-W185 HydrophobicContact CB-CE3 3.78Å; F160-W185 HydrophobicContact CB-CH2 4.05Å; F160-W185 HydrophobicContact CB-CZ2 4.36Å; F160-W185 HydrophobicContact CB-CZ3 3.74Å; F160-W185 HydrophobicContact CD2-CB 3.98Å; F160-W185 AromaticContact CD2-CD2 3.77Å; F160-W185 HydrophobicContact CD2-CD2 3.77Å; F160-W185 AromaticContact CD2-CE3 3.79Å; F160-W185 HydrophobicContact CD2-CE3 3.79Å; F160-W185 AromaticContact CD2-CG 3.87Å; F160-W185 HydrophobicContact CD2-CG 3.87Å; F160-W185 HydrophobicContact CE2-CB 4.16Å; F160-W185 HydrophobicContact CE2-CG 4.41Å; F160-W185 HydrophobicContact CG-CD2 4.42Å; F160-W185 HydrophobicContact CG-CE3 4.3Å; F160-W185 VanDerWaalsContact N-CZ3 3.32Å; F160-L213 HydrophobicContact CB-CD1 4.08Å; F160-L213 HydrophobicContact CB-CD2 4.06Å; F160-L213 HydrophobicContact CD1-CB 4Å; F160-L213 HydrophobicContact CD1-CD1 4.14Å; F160-L213 HydrophobicContact CD1-CD2 3.62Å; F160-L213 HydrophobicContact CD1-CG 4.1Å; F160-L213 HydrophobicContact CD2-CD1 3.93Å; F160-L213 HydrophobicContact CE1-CB 3.75Å; F160-L213 HydrophobicContact CE1-CD2 4.24Å; F160-L213 HydrophobicContact CE1-CG 4.37Å; F160-L213 HydrophobicContact CE2-CD1 4.38Å; F160-L213 HydrophobicContact CG-CB 4.45Å; F160-L213 HydrophobicContact CG-CD1 3.79Å; F160-L213 HydrophobicContact CG-CD2 3.94Å; F160-L213 HydrophobicContact CG-CG 4.25Å; F160-L213 HydrophobicContact CZ-CB 4.03Å
161	E	98.8	Very high	98.6	Very high	134 Å²	134	51.3 Å²	51.3	63%	0.626	27%	0.27	S	S	*	.	H	α-helix	trans	-57.9	-46.1	177.5	-179.5	-178.3	-177	0	0	111.6	S159 L164 N165	S159-E161 PolarHBondContact O-N 3.46Å; E161-L164 PolarHBondContact O-N 3.44Å; E161-N165 WeakPolarHBondContact CG-ND2 3.38Å; E161-N165 WeakPolarHBondContact O-CB 3.32Å; E161-N165 PolarHBondContact O-N 3.16Å; E161-N165 PolarHBondContact O-ND2 3.24Å
162	E	98.8	Very high	98.5	Very high	97 Å²	97	50.7 Å²	50.7	45%	0.453	27%	0.27	S	S	.	.	H	α-helix	trans	-64.8	-43.8	177.8	-174.7	175.9	166.8	0	0	111.7	V158 S159 F160 L164 N165 N166	V158-E162 HydrophobicContact CG1-CB 3.93Å; V158-E162 HydrophobicContact CG1-CG 3.98Å; S159-E162 PolarHBondContact O-N 2.95Å; S159-E162 WeakPolarHBondContact OG-CB 3.3Å; S159-E162 PolarHBondContact OG-N 3.35Å; F160-E162 VanDerWaalsContact C-N 3.35Å; F160-E162 PolarHBondContact O-N 3.07Å; E162-L164 PolarHBondContact O-N 3.44Å; E162-N165 PolarHBondContact O-N 3.07Å; E162-N166 WeakPolarHBondContact O-CB 3.45Å; E162-N166 PolarHBondContact O-N 2.9Å; E162-N166 PolarHBondContact O-OD1 3.19Å
163	R	98.8	Very high	98.4	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-58.5	-48.8	175.3	-62.2	176.6	-158.3	-159.4	4.4	111	A134 M135 M152 S156 V158 S159 F160 I167 L183 Y184 E186	A134-R163 HydrophobicContact CB-CB 4.13Å; M135-R163 HydrophobicContact CG-CG 4.18Å; M152-R163 HydrophobicContact SD-CG 4.41Å; S156-R163 PolarHBondContact O-NH2 3.26Å; V158-R163 HydrophobicContact CG1-CG 3.96Å; V158-R163 PolarHBondContact O-NE 3.4Å; V158-R163 PolarHBondContact O-NH2 3.4Å; S159-R163 WeakPolarHBondContact O-CG 3.29Å; S159-R163 PolarHBondContact O-N 2.89Å; S159-R163 VanDerWaalsContact O-N 3.13Å; F160-R163 PolarHBondContact O-N 3.31Å; R163-I167 WeakPolarHBondContact O-CB 3.44Å; R163-I167 WeakPolarHBondContact O-CG2 3.34Å; R163-I167 PolarHBondContact O-N 2.98Å; R163-L183 HydrophobicContact CB-CD1 3.59Å; R163-Y184 PolarHBondContact NH1-O 2.92Å; R163-E186 IonicContact CZ-OE1 2.86Å; R163-E186 IonicContact CZ-OE2 3.01Å; R163-E186 VanDerWaalsContact NH1-CD 3.29Å; R163-E186 IonicContact NH1-OE1 3.24Å; R163-E186 PolarHBondContact NH1-OE1 2.74Å; R163-E186 IonicContact NH1-OE2 3.34Å; R163-E186 PolarHBondContact NH1-OE2 3.43Å; R163-E186 IonicContact NH2-OE1 2.88Å; R163-E186 PolarHBondContact NH2-OE1 2.97Å; R163-E186 IonicContact NH2-OE2 2.95Å; R163-E186 PolarHBondContact NH2-OE2 2.9Å
164	L	98.9	Very high	98.3	Very high	6 Å²	6	51 Å²	51	3%	0.031	27%	0.274	C	S	.	.	H	α-helix	trans	-63.6	-45.4	180	175.5	62.9	0	0	0	111.9	F160 E161 E162 I167 T168 L183 D216 L217 K220	F160-L164 HydrophobicContact CD1-CB 4.26Å; F160-L164 HydrophobicContact CD1-CD2 4.5Å; F160-L164 HydrophobicContact CE1-CB 4.11Å; F160-L164 HydrophobicContact CE1-CD2 4Å; F160-L164 HydrophobicContact CE1-CG 4.5Å; F160-L164 VanDerWaalsContact O-CB 3.23Å; F160-L164 WeakPolarHBondContact O-CB 3.46Å; F160-L164 PolarHBondContact O-N 3.21Å; E161-L164 PolarHBondContact O-N 3.44Å; E162-L164 PolarHBondContact O-N 3.44Å; L164-I167 WeakPolarHBondContact O-CG2 3.28Å; L164-T168 HydrophobicContact CD1-CG2 3.81Å; L164-T168 WeakPolarHBondContact O-CB 3.3Å; L164-T168 WeakPolarHBondContact O-CG2 3.44Å; L164-T168 PolarHBondContact O-N 3.46Å; L164-T168 VanDerWaalsContact O-N 3.1Å; L164-T168 PolarHBondContact O-OG1 3.18Å; L164-L183 HydrophobicContact CD1-CD2 4.34Å; L164-D216 HydrophobicContact CD2-CB 4.13Å; L164-L217 HydrophobicContact CD1-CB 4.15Å; L164-L217 HydrophobicContact CD1-CD1 3.46Å; L164-L217 VanDerWaalsContact CD1-CD1 3.46Å; L164-L217 HydrophobicContact CD1-CG 4.41Å; L164-K220 HydrophobicContact CD2-CB 4.14Å; L164-K220 HydrophobicContact CG-CB 4.39Å; L164-K220 HydrophobicContact CG-CG 4.34Å
165	N	98.6	Very high	98.2	Very high	42 Å²	42	53.2 Å²	53.2	23%	0.225	29%	0.292	C	S	.	.	H	α-helix	trans	-62.1	-48	179.7	-78.6	-27.3	0	0	0	110.9	E161 E162 T168 M169 K220	E161-N165 WeakPolarHBondContact CG-ND2 3.38Å; E161-N165 WeakPolarHBondContact O-CB 3.32Å; E161-N165 PolarHBondContact O-N 3.16Å; E161-N165 PolarHBondContact O-ND2 3.24Å; E162-N165 PolarHBondContact O-N 3.07Å; N165-T168 PolarHBondContact O-OG1 3.25Å; N165-M169 VanDerWaalsContact O-CB 3.31Å; N165-M169 WeakPolarHBondContact O-CB 3.37Å; N165-M169 WeakPolarHBondContact O-CG 3.35Å; N165-M169 PolarHBondContact O-N 2.77Å; N165-K220 WeakPolarHBondContact OD1-CE 3.4Å; N165-K220 PolarHBondContact OD1-NZ 2.97Å
166	N	98.8	Very high	98.1	Very high	57 Å²	57	51.9 Å²	51.9	31%	0.305	29%	0.288	S	S	.	.	H	α-helix	trans	-67.5	-46.8	-178.1	-70.8	10.8	0	0	0	111.7	M152 E162 T168 M169 W170	M152-N166 HydrophobicContact CE-CB 3.35Å; M152-N166 WeakPolarHBondContact CE-ND2 3.32Å; E162-N166 WeakPolarHBondContact O-CB 3.45Å; E162-N166 PolarHBondContact O-N 2.9Å; E162-N166 PolarHBondContact O-OD1 3.19Å; N166-T168 VanDerWaalsContact C-N 3.33Å; N166-T168 PolarHBondContact O-N 3.08Å; N166-M169 PolarHBondContact O-N 3.31Å; N166-W170 HydrophobicContact CB-CH2 4.07Å; N166-W170 HydrophobicContact CB-CZ2 4.07Å; N166-W170 HydrophobicContact CB-CZ3 4.31Å; N166-W170 VanDerWaalsContact O-CD2 3.25Å; N166-W170 VanDerWaalsContact O-CG 3.26Å; N166-W170 PolarHBondContact O-N 2.85Å
167	I	98.9	Very high	98.2	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-63.7	-39.2	-177.6	-159.9	61.3	0	0	0	112	L29 A132 A134 R163 L164 W170 L171 A181 L183	L29-I167 HydrophobicContact CD1-CG1 4.02Å; A132-I167 HydrophobicContact CB-CD1 3.77Å; A134-I167 HydrophobicContact CB-CB 4.28Å; A134-I167 HydrophobicContact CB-CD1 4.43Å; R163-I167 WeakPolarHBondContact O-CB 3.44Å; R163-I167 WeakPolarHBondContact O-CG2 3.34Å; R163-I167 PolarHBondContact O-N 2.98Å; L164-I167 WeakPolarHBondContact O-CG2 3.28Å; I167-W170 HydrophobicContact CD1-CE3 3.79Å; I167-W170 HydrophobicContact CD1-CZ3 4.14Å; I167-L171 WeakPolarHBondContact O-CG 3.31Å; I167-L171 PolarHBondContact O-N 3.25Å; I167-L171 VanDerWaalsContact O-N 3.08Å; I167-A181 HydrophobicContact CD1-CB 3.79Å; I167-A181 HydrophobicContact CG1-CB 3.94Å; I167-L183 HydrophobicContact CG2-CB 4.49Å; I167-L183 HydrophobicContact CG2-CD1 4.39Å; I167-L183 HydrophobicContact CG2-CD2 4.29Å
168	T	98.6	Very high	98.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-74.3	-33.1	177.9	56.8	0	0	0	0	112.6	L164 N165 N166 L171 N172 K220 L221	L164-T168 HydrophobicContact CD1-CG2 3.81Å; L164-T168 WeakPolarHBondContact O-CB 3.3Å; L164-T168 WeakPolarHBondContact O-CG2 3.44Å; L164-T168 PolarHBondContact O-N 3.46Å; L164-T168 VanDerWaalsContact O-N 3.1Å; L164-T168 PolarHBondContact O-OG1 3.18Å; N165-T168 PolarHBondContact O-OG1 3.25Å; N166-T168 VanDerWaalsContact C-N 3.33Å; N166-T168 PolarHBondContact O-N 3.08Å; T168-L171 PolarHBondContact O-N 3.01Å; T168-N172 WeakPolarHBondContact O-CB 3.3Å; T168-N172 PolarHBondContact O-N 3.05Å; T168-K220 HydrophobicContact CG2-CG 4.17Å; T168-L221 HydrophobicContact CG2-CD2 3.91Å
169	M	98.4	Very high	98.2	Very high	62 Å²	62	44.1 Å²	44.1	31%	0.305	23%	0.234	S	C	.	.	H	α-helix	trans	-64.6	-44.1	171.5	-76.6	-67.4	103.4	0	0	112.3	N165 N166 N172 N173 L224	N165-M169 VanDerWaalsContact O-CB 3.31Å; N165-M169 WeakPolarHBondContact O-CB 3.37Å; N165-M169 WeakPolarHBondContact O-CG 3.35Å; N165-M169 PolarHBondContact O-N 2.77Å; N166-M169 PolarHBondContact O-N 3.31Å; M169-N172 PolarHBondContact O-N 2.82Å; M169-N173 WeakPolarHBondContact O-CB 3.42Å; M169-N173 PolarHBondContact O-N 2.77Å; M169-L224 HydrophobicContact CE-CD1 3.44Å; M169-L224 VanDerWaalsContact CE-CD1 3.44Å; M169-L224 HydrophobicContact CE-CD2 3.28Å; M169-L224 HydrophobicContact CE-CG 3.99Å
170	W	98.8	Very high	98.2	Very high	49 Å²	49	41.5 Å²	41.5	19%	0.186	22%	0.215	C	C	.	.	H	α-helix	trans	-62	-42.8	175.4	-62.8	-34.6	0	0	0	111.7	A132 A133 Y150 M152 N166 I167 N172 S174 V178	A132-W170 HydrophobicContact CB-CB 4.15Å; A132-W170 HydrophobicContact CB-CE3 3.92Å; A133-W170 WeakPolarHBondContact O-CZ3 3.21Å; Y150-W170 AromaticContact CD1-CD1 3.8Å; Y150-W170 HydrophobicContact CD1-CD2 4.4Å; Y150-W170 HydrophobicContact CD1-CG 4.25Å; Y150-W170 AromaticContact CD1-NE1 3.7Å; Y150-W170 HydrophobicContact CD2-CB 4.37Å; Y150-W170 HydrophobicContact CD2-CG 4.28Å; Y150-W170 AromaticContact CG-CD1 3.96Å; Y150-W170 HydrophobicContact CG-CD2 4.02Å; Y150-W170 AromaticContact CG-CG 3.94Å; Y150-W170 HydrophobicContact CG-CG 3.94Å; M152-W170 HydrophobicContact CE-CH2 3.69Å; M152-W170 HydrophobicContact CE-CZ3 4.1Å; M152-W170 HydrophobicContact CG-CH2 3.99Å; N166-W170 HydrophobicContact CB-CH2 4.07Å; N166-W170 HydrophobicContact CB-CZ2 4.07Å; N166-W170 HydrophobicContact CB-CZ3 4.31Å; N166-W170 VanDerWaalsContact O-CD2 3.25Å; N166-W170 VanDerWaalsContact O-CG 3.26Å; N166-W170 PolarHBondContact O-N 2.85Å; I167-W170 HydrophobicContact CD1-CE3 3.79Å; I167-W170 HydrophobicContact CD1-CZ3 4.14Å; W170-N172 VanDerWaalsContact C-N 3.28Å; W170-N172 PolarHBondContact O-N 3.16Å; W170-S174 VanDerWaalsContact O-CB 3.29Å; W170-S174 WeakPolarHBondContact O-CB 3.41Å; W170-S174 PolarHBondContact O-N 2.91Å; W170-S174 PolarHBondContact O-OG 3.48Å; W170-V178 HydrophobicContact CB-CG2 4.34Å
171	L	98.5	Very high	98.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60.4	-35.6	174	-80	163.8	0	0	0	113.2	K27 L29 I167 T168 V178 A181 L226 L230	K27-L171 PolarHBondContact NZ-O 2.99Å; L29-L171 HydrophobicContact CB-CD1 4.13Å; L29-L171 HydrophobicContact CD1-CD1 4.22Å; L29-L171 HydrophobicContact CD2-CD1 4.3Å; L29-L171 HydrophobicContact CG-CD1 4.45Å; I167-L171 WeakPolarHBondContact O-CG 3.31Å; I167-L171 PolarHBondContact O-N 3.25Å; I167-L171 VanDerWaalsContact O-N 3.08Å; T168-L171 PolarHBondContact O-N 3.01Å; L171-V178 HydrophobicContact CD2-CB 4.48Å; L171-V178 HydrophobicContact CD2-CG1 3.82Å; L171-V178 HydrophobicContact CG-CG1 4.27Å; L171-A181 HydrophobicContact CD1-CB 3.82Å; L171-A181 HydrophobicContact CD2-CB 3.84Å; L171-A181 HydrophobicContact CG-CB 3.88Å; L171-L226 HydrophobicContact CB-CD1 4.3Å; L171-L230 HydrophobicContact CD1-CD1 4.44Å; L171-L230 HydrophobicContact CD1-CD2 4.04Å; L171-L230 HydrophobicContact CD2-CD1 4.12Å
172	N	97.4	Very high	98.2	Very high	62 Å²	62	34.8 Å²	34.8	33%	0.332	18%	0.184	S	C	.	.	H	α-helix	trans	-81.7	-42.1	-175.8	-162.6	54.1	0	0	0	113.5	T168 M169 W170 L226	T168-N172 WeakPolarHBondContact O-CB 3.3Å; T168-N172 PolarHBondContact O-N 3.05Å; M169-N172 PolarHBondContact O-N 2.82Å; W170-N172 VanDerWaalsContact C-N 3.28Å; W170-N172 PolarHBondContact O-N 3.16Å; N172-L226 HydrophobicContact CB-CD1 4.26Å
173	N	96.1	Very high	98.2	Very high	107 Å²	107	30.2 Å²	30.2	57%	0.572	16%	0.163	S	C	*	.	H	α-helix	trans	-113.3	-13	-159.3	-62.3	-20.9	0	0	0	115.3	M169	M169-N173 WeakPolarHBondContact O-CB 3.42Å; M169-N173 PolarHBondContact O-N 2.77Å
174	S	97.4	Very high	98.2	Very high	22 Å²	22	30.8 Å²	30.8	15%	0.154	17%	0.165	C	C	.	.			trans	-72.7	147.4	-168.9	-67.8	0	0	0	0	114.3	Y150 W170 P176 P177	Y150-S174 VanDerWaalsContact CE2-OG 3.3Å; Y150-S174 WeakPolarHBondContact CE2-OG 3.44Å; Y150-S174 PolarHBondContact OH-OG 2.77Å; W170-S174 VanDerWaalsContact O-CB 3.29Å; W170-S174 WeakPolarHBondContact O-CB 3.41Å; W170-S174 PolarHBondContact O-N 2.91Å; W170-S174 PolarHBondContact O-OG 3.48Å; S174-P176 CarbonylContact C-O 3.53Å; S174-P177 WeakPolarHBondContact O-CA 3.31Å
175	N	96.1	Very high	98.2	Very high	146 Å²	146	32.8 Å²	32.8	78%	0.781	17%	0.172	S	C	*	.	S	Bend	trans	-134.1	121.4	170.3	-173	58.5	0	0	0	109.9
176	P	96.4	Very high	98.2	Very high	49 Å²	49	32 Å²	32	32%	0.318	17%	0.167	S	C	.	.	S	Bend	cis	-58	157	-4.5	26.5	-34.4	0	0	0	112.4	S174 V178	S174-P176 CarbonylContact C-O 3.53Å; P176-V178 PolarHBondContact O-N 2.86Å
177	P	97.9	Very high	98.3	Very high	31 Å²	31	31.3 Å²	31.3	20%	0.201	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-61.5	136.2	-174.5	24.5	-35.1	0	0	0	111.8	P25 N128 S130 S174 T179	P25-P177 HydrophobicContact CG-CG 3.98Å; N128-P177 WeakPolarHBondContact O-CD 3.34Å; N128-P177 WeakPolarHBondContact O-CG 3.46Å; S130-P177 PolarHBondContact N-O 3.3Å; S174-P177 WeakPolarHBondContact O-CA 3.31Å; P177-T179 PolarHBondContact O-N 2.83Å
178	V	98.8	Very high	98.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	118.5	165.4	173.4	0	0	0	0	108.4	K27 S130 A132 Y150 W170 L171 P176 F180 A181	K27-V178 WeakPolarHBondContact CD-O 3.29Å; K27-V178 WeakPolarHBondContact CE-O 3.47Å; S130-V178 WeakPolarHBondContact O-CA 3.33Å; A132-V178 HydrophobicContact CB-CG1 3.61Å; A132-V178 HydrophobicContact CB-CG2 4.14Å; Y150-V178 HydrophobicContact CD2-CG2 3.78Å; Y150-V178 HydrophobicContact CE2-CG2 3.71Å; W170-V178 HydrophobicContact CB-CG2 4.34Å; L171-V178 HydrophobicContact CD2-CB 4.48Å; L171-V178 HydrophobicContact CD2-CG1 3.82Å; L171-V178 HydrophobicContact CG-CG1 4.27Å; P176-V178 PolarHBondContact O-N 2.86Å; V178-F180 WeakPolarHBondContact CG1-O 3.23Å; V178-A181 HydrophobicContact CG1-CB 4.41Å
179	T	98.8	Very high	98.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	-20.2	179.9	51.4	0	0	0	0	113.3	P25 P26 K27 L28 N123 R129 S130 P177 L378	P25-T179 HydrophobicContact CB-CG2 3.87Å; P25-T179 HydrophobicContact CG-CG2 3.85Å; P26-T179 WeakPolarHBondContact O-CB 3.41Å; K27-T179 CarbonylContact C-O 3.59Å; K27-T179 VanDerWaalsContact CA-O 3.31Å; K27-T179 WeakPolarHBondContact CA-O 3.5Å; L28-T179 PolarHBondContact N-O 3.21Å; N123-T179 PolarHBondContact ND2-OG1 3.38Å; N123-T179 PolarHBondContact OD1-OG1 3.26Å; R129-T179 HydrophobicContact CB-CG2 4.48Å; R129-T179 HydrophobicContact CG-CG2 4.11Å; R129-T179 PolarHBondContact NE-OG1 2.84Å; S130-T179 PolarHBondContact O-N 2.81Å; P177-T179 PolarHBondContact O-N 2.83Å; T179-L378 WeakPolarHBondContact O-CD2 3.28Å
180	F	98.9	Very high	98.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	133.7	172.3	-178.6	-108.3	0	0	0	110	L28 L30 I119 W120 N123 S131 A132 V178 T182 M374 L378	L28-F180 HydrophobicContact CB-CD2 4.32Å; L28-F180 HydrophobicContact CD2-CD2 4.09Å; L28-F180 HydrophobicContact CD2-CE2 4.03Å; L28-F180 HydrophobicContact CG-CD2 4.33Å; L28-F180 HydrophobicContact CG-CE2 4.44Å; L28-F180 CarbonylContact O-C 3.58Å; L28-F180 WeakPolarHBondContact O-CA 3.49Å; L30-F180 HydrophobicContact CB-CE2 4.21Å; L30-F180 HydrophobicContact CB-CZ 4.31Å; L30-F180 HydrophobicContact CD2-CZ 4.26Å; I119-F180 HydrophobicContact CG2-CD1 4.2Å; I119-F180 HydrophobicContact CG2-CE1 3.5Å; I119-F180 HydrophobicContact CG2-CE2 3.92Å; I119-F180 HydrophobicContact CG2-CZ 3.33Å; W120-F180 HydrophobicContact CB-CD1 3.78Å; W120-F180 HydrophobicContact CB-CE1 3.85Å; N123-F180 HydrophobicContact CB-CB 4.07Å; S131-F180 CarbonylContact C-O 3.56Å; S131-F180 VanDerWaalsContact CA-O 3.32Å; S131-F180 WeakPolarHBondContact CA-O 3.4Å; A132-F180 PolarHBondContact N-O 3.24Å; V178-F180 WeakPolarHBondContact CG1-O 3.23Å; F180-T182 HydrophobicContact CE1-CG2 3.56Å; F180-T182 HydrophobicContact CZ-CG2 3.58Å; F180-M374 HydrophobicContact CE2-SD 4.07Å; F180-L378 HydrophobicContact CB-CD1 4.01Å; F180-L378 HydrophobicContact CD2-CD1 3.8Å; F180-L378 HydrophobicContact CG-CD1 4.23Å
181	A	98.9	Very high	98.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	142.8	179	0	0	0	0	0	111.3	L28 L29 L30 A132 I167 L171 V178	L28-A181 PolarHBondContact O-N 2.94Å; L29-A181 WeakPolarHBondContact CA-O 3.37Å; L29-A181 HydrophobicContact CD1-CB 3.76Å; L30-A181 PolarHBondContact N-O 3.35Å; A132-A181 HydrophobicContact CB-CB 4.42Å; A132-A181 CarbonylContact O-C 3.54Å; A132-A181 WeakPolarHBondContact O-CA 3.37Å; I167-A181 HydrophobicContact CD1-CB 3.79Å; I167-A181 HydrophobicContact CG1-CB 3.94Å; L171-A181 HydrophobicContact CD1-CB 3.82Å; L171-A181 HydrophobicContact CD2-CB 3.84Å; L171-A181 HydrophobicContact CG-CB 3.88Å; V178-A181 HydrophobicContact CG1-CB 4.41Å
182	T	98.9	Very high	98.3	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.006	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	142	170.7	53.9	0	0	0	0	111.8	L30 A132 A133 A134 W136 F180	L30-T182 HydrophobicContact CB-CG2 4.33Å; L30-T182 HydrophobicContact CD2-CG2 4.28Å; L30-T182 CarbonylContact O-C 3.5Å; L30-T182 VanDerWaalsContact O-CA 3.29Å; L30-T182 WeakPolarHBondContact O-CA 3.27Å; A132-T182 PolarHBondContact O-N 3.49Å; A133-T182 WeakPolarHBondContact CB-OG1 3.43Å; A134-T182 PolarHBondContact N-O 3.22Å; W136-T182 HydrophobicContact CB-CG2 4.42Å; W136-T182 WeakPolarHBondContact CB-OG1 3.46Å; W136-T182 HydrophobicContact CD2-CG2 3.96Å; W136-T182 HydrophobicContact CE3-CG2 3.99Å; W136-T182 HydrophobicContact CG-CG2 4.14Å; F180-T182 HydrophobicContact CE1-CG2 3.56Å; F180-T182 HydrophobicContact CZ-CG2 3.58Å
183	L	98.9	Very high	98.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	128.2	174.6	174	62.4	0	0	0	109.1	L29 L30 V31 S32 A134 F160 R163 L164 I167	L29-L183 HydrophobicContact CD1-CB 4.21Å; L30-L183 PolarHBondContact O-N 3.31Å; V31-L183 CarbonylContact C-O 3.4Å; V31-L183 VanDerWaalsContact CA-O 3.31Å; V31-L183 WeakPolarHBondContact CA-O 3.36Å; V31-L183 HydrophobicContact CG1-CB 4.35Å; V31-L183 HydrophobicContact CG1-CD2 4.1Å; V31-L183 HydrophobicContact CG1-CG 4.22Å; V31-L183 HydrophobicContact CG2-CB 4.3Å; V31-L183 HydrophobicContact CG2-CD2 4.35Å; S32-L183 PolarHBondContact N-O 2.93Å; A134-L183 HydrophobicContact CB-CD1 3.83Å; F160-L183 HydrophobicContact CE2-CD2 4.1Å; F160-L183 HydrophobicContact CE2-CG 4.45Å; F160-L183 HydrophobicContact CZ-CD2 4.01Å; R163-L183 HydrophobicContact CB-CD1 3.59Å; L164-L183 HydrophobicContact CD1-CD2 4.34Å; I167-L183 HydrophobicContact CG2-CB 4.49Å; I167-L183 HydrophobicContact CG2-CD1 4.39Å; I167-L183 HydrophobicContact CG2-CD2 4.29Å
184	Y	98.9	Very high	98.5	Very high	13 Å²	13	30 Å²	30	5%	0.051	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	144.3	-178.5	167.2	-93	0	0	0	111.9	S32 D34 H74 A134 M135 Y154 R163 E186	S32-Y184 WeakPolarHBondContact O-CA 3.46Å; D34-Y184 HydrophobicContact CB-CE2 3.87Å; D34-Y184 WeakPolarHBondContact OD2-CE2 3.47Å; D34-Y184 PolarHBondContact OD2-OH 3.49Å; D34-Y184 VanDerWaalsContact OD2-OH 3.11Å; H74-Y184 AromaticContact CE1-CE2 3.87Å; H74-Y184 AromaticContact NE2-CD2 3.58Å; H74-Y184 AromaticContact NE2-CE2 3.74Å; A134-Y184 PolarHBondContact O-N 3.26Å; M135-Y184 HydrophobicContact CB-CD1 3.92Å; M135-Y184 WeakPolarHBondContact O-CD1 3.22Å; Y154-Y184 HydrophobicContact CE2-CD1 4.25Å; Y154-Y184 AromaticContact CE2-CE1 3.85Å; Y154-Y184 HydrophobicContact CE2-CE1 3.85Å; R163-Y184 PolarHBondContact NH1-O 2.92Å; Y184-E186 HydrophobicContact CE1-CG 3.73Å
185	W	98.9	Very high	98.5	Very high	47 Å²	47	31.6 Å²	31.6	18%	0.178	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	138.7	173.5	-171.1	-111	0	0	0	111.5	S32 F33 D34 F160 E187 L213	S32-W185 PolarHBondContact O-N 2.89Å; F33-W185 HydrophobicContact CD1-CB 3.8Å; F33-W185 AromaticContact CD1-CD1 3.86Å; F33-W185 HydrophobicContact CD1-CG 4.16Å; F33-W185 HydrophobicContact CE1-CB 4.09Å; F33-W185 HydrophobicContact CE1-CG 4.34Å; D34-W185 WeakPolarHBondContact CB-O 3.35Å; D34-W185 PolarHBondContact N-O 2.88Å; F160-W185 HydrophobicContact CB-CD2 4.14Å; F160-W185 HydrophobicContact CB-CE3 3.78Å; F160-W185 HydrophobicContact CB-CH2 4.05Å; F160-W185 HydrophobicContact CB-CZ2 4.36Å; F160-W185 HydrophobicContact CB-CZ3 3.74Å; F160-W185 HydrophobicContact CD2-CB 3.98Å; F160-W185 AromaticContact CD2-CD2 3.77Å; F160-W185 HydrophobicContact CD2-CD2 3.77Å; F160-W185 AromaticContact CD2-CE3 3.79Å; F160-W185 HydrophobicContact CD2-CE3 3.79Å; F160-W185 AromaticContact CD2-CG 3.87Å; F160-W185 HydrophobicContact CD2-CG 3.87Å; F160-W185 HydrophobicContact CE2-CB 4.16Å; F160-W185 HydrophobicContact CE2-CG 4.41Å; F160-W185 HydrophobicContact CG-CD2 4.42Å; F160-W185 HydrophobicContact CG-CE3 4.3Å; F160-W185 VanDerWaalsContact N-CZ3 3.32Å; W185-E187 VanDerWaalsContact C-N 3.3Å; W185-E187 PolarHBondContact O-N 2.85Å; W185-L213 HydrophobicContact CD2-CD1 4.47Å; W185-L213 HydrophobicContact CG-CD1 4.44Å
186	E	98.9	Very high	98.6	Very high	25 Å²	25	24.6 Å²	24.6	12%	0.117	13%	0.126	C	C	.	.			trans	-76.8	-9.4	-170.5	-62.7	76.3	-176	0	0	114.6	Y154 S156 R163 Y184 A190	Y154-E186 PolarHBondContact OH-OE1 3.43Å; S156-E186 WeakPolarHBondContact CA-OE1 3.5Å; R163-E186 IonicContact CZ-OE1 2.86Å; R163-E186 IonicContact CZ-OE2 3.01Å; R163-E186 VanDerWaalsContact NH1-CD 3.29Å; R163-E186 IonicContact NH1-OE1 3.24Å; R163-E186 PolarHBondContact NH1-OE1 2.74Å; R163-E186 IonicContact NH1-OE2 3.34Å; R163-E186 PolarHBondContact NH1-OE2 3.43Å; R163-E186 IonicContact NH2-OE1 2.88Å; R163-E186 PolarHBondContact NH2-OE1 2.97Å; R163-E186 IonicContact NH2-OE2 2.95Å; R163-E186 PolarHBondContact NH2-OE2 2.9Å; Y184-E186 HydrophobicContact CE1-CG 3.73Å; E186-A190 PolarHBondContact O-N 2.78Å
187	E	98.9	Very high	98.7	Very high	44 Å²	44	22.8 Å²	22.8	21%	0.206	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	149.8	178.7	-67.6	-82.1	-155.5	0	0	110	F33 D34 W185 S191 I210	F33-E187 WeakPolarHBondContact CB-O 3.48Å; D34-E187 CarbonylContact O-C 3.41Å; W185-E187 VanDerWaalsContact C-N 3.3Å; W185-E187 PolarHBondContact O-N 2.85Å; E187-S191 PolarHBondContact OE1-OG 3.2Å; E187-S191 WeakPolarHBondContact OE2-CB 3.47Å; E187-S191 PolarHBondContact OE2-N 2.84Å; E187-S191 PolarHBondContact OE2-OG 3.33Å; E187-I210 HydrophobicContact CB-CD1 3.69Å; E187-I210 WeakPolarHBondContact O-CD1 3.32Å
188	P	98.8	Very high	98.8	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	cis	-85.4	5.9	11.9	35.1	-39.9	0	0	0	117.4	D34 F36 Y40 G192 M203 V206 L207 I210	D34-P188 WeakPolarHBondContact O-CD 3.47Å; F36-P188 HydrophobicContact CB-CG 4.01Å; F36-P188 HydrophobicContact CD2-CG 4.44Å; F36-P188 HydrophobicContact CG-CG 4.17Å; Y40-P188 HydrophobicContact CE2-CG 4.29Å; P188-G192 PolarHBondContact O-N 3.22Å; P188-M203 HydrophobicContact CB-CE 4.3Å; P188-V206 HydrophobicContact CB-CG1 3.78Å; P188-L207 HydrophobicContact CB-CD2 3.84Å; P188-L207 HydrophobicContact CG-CD2 3.93Å; P188-I210 HydrophobicContact CB-CG1 4.47Å
189	D	98.8	Very high	98.8	Very high	19 Å²	19	30.3 Å²	30.3	10%	0.102	15%	0.148	C	C	.	.	H	α-helix	trans	-56.4	-55.1	-178	-177.2	68.9	0	0	0	113.2	D34 S191 G192 H193 H238 M240 H336	D34-D189 HydrophobicContact CB-CB 3.83Å; D34-D189 WeakPolarHBondContact O-CB 3.49Å; D34-D189 PolarHBondContact O-N 3Å; D34-D189 VanDerWaalsContact OD1-CB 3.24Å; D34-D189 WeakPolarHBondContact OD1-CB 3.35Å; D189-S191 VanDerWaalsContact C-N 3.32Å; D189-S191 PolarHBondContact O-N 3.41Å; D189-G192 CarbonylContact O-C 3.56Å; D189-G192 WeakPolarHBondContact O-CA 3.13Å; D189-G192 PolarHBondContact O-N 2.79Å; D189-H193 PolarHBondContact O-N 3.2Å; D189-H193 IonicContact OD1-CD2 2.73Å; D189-H193 IonicContact OD1-NE2 3.71Å; D189-H193 IonicContact OD2-CD2 3.7Å; D189-H193 PolarHBondContact OD2-CD2 2.89Å; D189-H193 VanDerWaalsContact OD2-CD2 3.26Å; D189-H193 IonicContact OD2-NE2 3.33Å; D189-H238 IonicContact OD1-CE1 3.65Å; D189-H238 PolarHBondContact OD1-CE1 3.27Å; D189-M240 WeakPolarHBondContact OD1-CE 3.42Å; D189-H336 IonicContact OD1-CD2 3.68Å; D189-H336 PolarHBondContact OD1-CD2 3.47Å; D189-H336 IonicContact OD1-NE2 3.02Å; D189-H336 PolarHBondContact OD1-NE2 3.4Å
190	A	98.6	Very high	98.7	Very high	50 Å²	50	36.4 Å²	36.4	41%	0.413	18%	0.175	S	C	.	.	H	α-helix	trans	-56.3	-45.3	-174.3	0	0	0	0	0	112.5	E186 K194	E186-A190 PolarHBondContact O-N 2.78Å; A190-K194 PolarHBondContact O-N 3.36Å
191	S	98.8	Very high	98.7	Very high	16 Å²	16	42.2 Å²	42.2	11%	0.112	20%	0.202	C	C	.	.	H	α-helix	trans	-74.9	-32.2	175.1	-73.1	0	0	0	0	112.7	E187 D189 H193 K194 Y195 V206	E187-S191 PolarHBondContact OE1-OG 3.2Å; E187-S191 WeakPolarHBondContact OE2-CB 3.47Å; E187-S191 PolarHBondContact OE2-N 2.84Å; E187-S191 PolarHBondContact OE2-OG 3.33Å; D189-S191 VanDerWaalsContact C-N 3.32Å; D189-S191 PolarHBondContact O-N 3.41Å; S191-H193 VanDerWaalsContact C-N 3.32Å; S191-H193 PolarHBondContact O-N 2.81Å; S191-K194 PolarHBondContact O-N 3.24Å; S191-K194 VanDerWaalsContact O-N 3.12Å; S191-Y195 WeakPolarHBondContact O-CD2 3.29Å; S191-Y195 PolarHBondContact O-N 2.87Å; S191-V206 VanDerWaalsContact CB-CG2 3.41Å
192	G	98.7	Very high	98.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59.7	-40.6	172.9	0	0	0	0	0	112.3	P188 D189 G196 G334	P188-G192 PolarHBondContact O-N 3.22Å; D189-G192 CarbonylContact O-C 3.56Å; D189-G192 WeakPolarHBondContact O-CA 3.13Å; D189-G192 PolarHBondContact O-N 2.79Å; G192-G196 WeakPolarHBondContact O-CA 3.39Å; G192-G196 PolarHBondContact O-N 3.33Å; G192-G334 WeakPolarHBondContact O-CA 3.3Å
193	H	98.7	Very high	98.7	Very high	33 Å²	33	44.2 Å²	44.2	15%	0.153	21%	0.213	C	C	.	.	H	α-helix	trans	-61.9	-42.2	170.9	-85.1	-30.7	0	0	0	113	D189 S191 K332 L333 G334 D335 H336	D189-H193 PolarHBondContact O-N 3.2Å; D189-H193 IonicContact OD1-CD2 2.73Å; D189-H193 IonicContact OD1-NE2 3.71Å; D189-H193 IonicContact OD2-CD2 3.7Å; D189-H193 PolarHBondContact OD2-CD2 2.89Å; D189-H193 VanDerWaalsContact OD2-CD2 3.26Å; D189-H193 IonicContact OD2-NE2 3.33Å; S191-H193 VanDerWaalsContact C-N 3.32Å; S191-H193 PolarHBondContact O-N 2.81Å; H193-K332 HydrophobicContact CB-CD 3.89Å; H193-K332 HydrophobicContact CB-CG 3.93Å; H193-K332 WeakPolarHBondContact CE1-CE 3.36Å; H193-K332 PolarHBondContact CE1-NZ 3.2Å; H193-K332 WeakPolarHBondContact ND1-CD 3.2Å; H193-K332 VanDerWaalsContact ND1-CE 3.26Å; H193-K332 WeakPolarHBondContact ND1-CE 3.38Å; H193-K332 PolarHBondContact ND1-NZ 2.95Å; H193-K332 PolarHBondContact NE2-NZ 3.27Å; H193-K332 VanDerWaalsContact NE2-NZ 3.14Å; H193-K332 WeakPolarHBondContact O-CG 3.36Å; H193-L333 PolarHBondContact O-N 3.32Å; H193-G334 PolarHBondContact ND1-O 2.9Å; H193-G334 PolarHBondContact O-N 3.48Å; H193-G334 VanDerWaalsContact O-N 3.11Å; H193-D335 IonicContact CE1-OD1 3.35Å; H193-D335 PolarHBondContact CE1-OD1 3.49Å; H193-H336 AromaticContact CE1-CD2 3.21Å; H193-H336 PolarHBondContact CE1-CD2 3.45Å; H193-H336 AromaticContact CE1-NE2 3.29Å; H193-H336 PolarHBondContact CE1-NE2 2.89Å; H193-H336 VanDerWaalsContact CE1-NE2 3.29Å; H193-H336 AromaticContact NE2-CD2 3.66Å; H193-H336 AromaticContact NE2-NE2 3.22Å; H193-H336 PolarHBondContact NE2-NE2 3.33Å
194	K	98.5	Very high	98.7	Very high	133 Å²	133	46.6 Å²	46.6	58%	0.578	23%	0.23	S	C	*	.	H	α-helix	trans	-69.2	-48.2	-177.3	-177.8	-179.3	175.7	-168.5	0	112.9	A190 S191 L333	A190-K194 PolarHBondContact O-N 3.36Å; S191-K194 PolarHBondContact O-N 3.24Å; S191-K194 VanDerWaalsContact O-N 3.12Å; K194-L333 WeakPolarHBondContact O-CD1 3.21Å
195	Y	98.6	Very high	98.7	Very high	56 Å²	56	52 Å²	52	22%	0.22	25%	0.25	C	C	.	.	H	α-helix	trans	-97.8	-29.9	-172.7	-55.6	-62	0	0	0	112.9	S191 N202 M203 V206 L333	S191-Y195 WeakPolarHBondContact O-CD2 3.29Å; S191-Y195 PolarHBondContact O-N 2.87Å; Y195-N202 HydrophobicContact CD1-CB 3.84Å; Y195-N202 HydrophobicContact CD2-CB 3.81Å; Y195-N202 HydrophobicContact CE1-CB 4.13Å; Y195-N202 HydrophobicContact CE2-CB 4.11Å; Y195-N202 HydrophobicContact CG-CB 3.69Å; Y195-M203 HydrophobicContact CD2-SD 4.43Å; Y195-V206 HydrophobicContact CD2-CG2 4.5Å; Y195-V206 HydrophobicContact CE2-CG2 4.3Å; Y195-L333 WeakPolarHBondContact O-CB 3.22Å
196	G	98.6	Very high	98.7	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.245	C	C	.	.			trans	82.5	147.5	-166.4	0	0	0	0	0	112	G192 E198 D199 M203	G192-G196 WeakPolarHBondContact O-CA 3.39Å; G192-G196 PolarHBondContact O-N 3.33Å; G196-E198 PolarHBondContact O-N 2.95Å; G196-D199 PolarHBondContact O-N 3.13Å; G196-M203 WeakPolarHBondContact O-CG 3.34Å
197	P	98.6	Very high	98.7	Very high	10 Å²	10	49.3 Å²	49.3	7%	0.065	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-16.8	-173.6	28.6	-36.8	0	0	0	113.9	Y40 M240 Q242	Y40-P197 HydrophobicContact CE1-CB 4.1Å; Y40-P197 WeakPolarHBondContact OH-CB 3.46Å; P197-M240 HydrophobicContact CB-CB 4.44Å; P197-M240 HydrophobicContact CB-CG 4.39Å; P197-M240 HydrophobicContact CG-CB 4.47Å; P197-M240 HydrophobicContact CG-CG 4.14Å; P197-Q242 VanDerWaalsContact CD-OE1 3.31Å; P197-Q242 HydrophobicContact CG-CB 4.36Å
198	E	98.6	Very high	98.7	Very high	141 Å²	141	51.2 Å²	51.2	66%	0.659	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-13.8	179.3	-65.3	178.9	-174	0	0	113.2	G196 K200 Q242	G196-E198 PolarHBondContact O-N 2.95Å; E198-K200 VanDerWaalsContact C-N 3.26Å; E198-K200 PolarHBondContact O-N 3.4Å; E198-Q242 HydrophobicContact CB-CG 4.37Å; E198-Q242 HydrophobicContact CG-CB 3.94Å; E198-Q242 HydrophobicContact CG-CG 4.19Å; E198-Q242 VanDerWaalsContact N-OE1 3.11Å
199	D	98.6	Very high	98.7	Very high	48 Å²	48	58 Å²	58	26%	0.257	28%	0.277	S	S	.	.			trans	-75	79.3	172.1	-175	-16.7	0	0	0	110.3	G196 E201 N202 M203	G196-D199 PolarHBondContact O-N 3.13Å; D199-E201 PolarHBondContact O-N 3.19Å; D199-E201 PolarHBondContact OD1-N 2.96Å; D199-N202 PolarHBondContact O-N 3.27Å; D199-N202 PolarHBondContact OD1-N 3.48Å; D199-N202 PolarHBondContact OD1-ND2 3.22Å; D199-N202 PolarHBondContact OD2-ND2 2.93Å; D199-M203 WeakPolarHBondContact O-CB 3.26Å; D199-M203 VanDerWaalsContact O-CG 3.24Å; D199-M203 WeakPolarHBondContact O-CG 3.36Å; D199-M203 PolarHBondContact O-N 3.11Å
200	K	98.4	Very high	98.7	Very high	129 Å²	129	57.2 Å²	57.2	56%	0.561	27%	0.273	S	S	*	.	H	α-helix	trans	-59.7	-31.4	-177.5	-65.6	-167.5	176.5	-169.4	0	113.1	Y44 E198 S204	Y44-K200 HydrophobicContact CE1-CB 4.49Å; E198-K200 VanDerWaalsContact C-N 3.26Å; E198-K200 PolarHBondContact O-N 3.4Å; K200-S204 WeakPolarHBondContact O-CB 3.3Å; K200-S204 PolarHBondContact O-N 3.45Å; K200-S204 PolarHBondContact O-OG 2.97Å
201	E	98.4	Very high	98.7	Very high	122 Å²	122	54.9 Å²	54.9	57%	0.57	25%	0.253	S	S	*	.	H	α-helix	trans	-67.4	-52.5	-177.7	-165.9	-163.2	139.8	0	0	110.3	D199 S204 R205	D199-E201 PolarHBondContact O-N 3.19Å; D199-E201 PolarHBondContact OD1-N 2.96Å; E201-S204 PolarHBondContact O-OG 3.48Å; E201-R205 IonicContact OE1-CZ 2.79Å; E201-R205 VanDerWaalsContact OE1-CZ 3.3Å; E201-R205 IonicContact OE1-NH1 3.52Å; E201-R205 PolarHBondContact OE1-NH1 2.85Å; E201-R205 IonicContact OE1-NH2 3.92Å; E201-R205 PolarHBondContact OE1-NH2 3.43Å
202	N	98.6	Very high	98.7	Very high	42 Å²	42	56.9 Å²	56.9	23%	0.225	26%	0.263	C	S	.	.	H	α-helix	trans	-73.6	-41.2	179.3	-70.9	-54.5	0	0	0	112	Y195 D199 S204 R205 V206	Y195-N202 HydrophobicContact CD1-CB 3.84Å; Y195-N202 HydrophobicContact CD2-CB 3.81Å; Y195-N202 HydrophobicContact CE1-CB 4.13Å; Y195-N202 HydrophobicContact CE2-CB 4.11Å; Y195-N202 HydrophobicContact CG-CB 3.69Å; D199-N202 PolarHBondContact O-N 3.27Å; D199-N202 PolarHBondContact OD1-N 3.48Å; D199-N202 PolarHBondContact OD1-ND2 3.22Å; D199-N202 PolarHBondContact OD2-ND2 2.93Å; N202-S204 VanDerWaalsContact C-N 3.3Å; N202-S204 PolarHBondContact O-N 3.26Å; N202-R205 WeakPolarHBondContact O-CB 3.32Å; N202-R205 PolarHBondContact O-N 3.15Å; N202-R205 VanDerWaalsContact O-N 3.13Å; N202-R205 PolarHBondContact OD1-NH1 3.34Å; N202-V206 WeakPolarHBondContact O-CG2 3.12Å; N202-V206 PolarHBondContact O-N 3.21Å
203	M	98.8	Very high	98.7	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-64.9	-32.2	179	-69.2	-53.9	-59.8	0	0	112.8	Y40 Y44 P188 Y195 G196 D199 R205 V206 L207	Y40-M203 HydrophobicContact CE2-CE 4.29Å; Y44-M203 HydrophobicContact CE1-CB 4.4Å; Y44-M203 WeakPolarHBondContact OH-CB 3.48Å; P188-M203 HydrophobicContact CB-CE 4.3Å; Y195-M203 HydrophobicContact CD2-SD 4.43Å; G196-M203 WeakPolarHBondContact O-CG 3.34Å; D199-M203 WeakPolarHBondContact O-CB 3.26Å; D199-M203 VanDerWaalsContact O-CG 3.24Å; D199-M203 WeakPolarHBondContact O-CG 3.36Å; D199-M203 PolarHBondContact O-N 3.11Å; M203-R205 VanDerWaalsContact C-N 3.27Å; M203-R205 PolarHBondContact O-N 3.43Å; M203-V206 HydrophobicContact CE-CB 4.47Å; M203-V206 HydrophobicContact CE-CG1 4.37Å; M203-V206 PolarHBondContact O-N 3.16Å; M203-V206 HydrophobicContact SD-CG2 4.48Å; M203-L207 HydrophobicContact CE-CG 4.44Å; M203-L207 WeakPolarHBondContact O-CB 3.44Å; M203-L207 VanDerWaalsContact O-CG 3.3Å; M203-L207 WeakPolarHBondContact O-CG 3.28Å; M203-L207 PolarHBondContact O-N 2.95Å
204	S	98.7	Very high	98.7	Very high	51 Å²	51	56.8 Å²	56.8	36%	0.357	26%	0.263	S	S	.	.	H	α-helix	trans	-59.8	-37.8	173.9	69.7	0	0	0	0	112.6	K200 E201 N202 K208	K200-S204 WeakPolarHBondContact O-CB 3.3Å; K200-S204 PolarHBondContact O-N 3.45Å; K200-S204 PolarHBondContact O-OG 2.97Å; E201-S204 PolarHBondContact O-OG 3.48Å; N202-S204 VanDerWaalsContact C-N 3.3Å; N202-S204 PolarHBondContact O-N 3.26Å; S204-K208 VanDerWaalsContact O-CB 3.22Å; S204-K208 WeakPolarHBondContact O-CB 3.3Å; S204-K208 PolarHBondContact O-N 2.85Å
205	R	98.8	Very high	98.7	Very high	127 Å²	127	50.5 Å²	50.5	48%	0.479	24%	0.236	S	C	.	.	H	α-helix	trans	-71.5	-39.3	177.8	-60.4	174.8	-177.4	118	4.6	111.6	E201 N202 M203 K209	E201-R205 IonicContact OE1-CZ 2.79Å; E201-R205 VanDerWaalsContact OE1-CZ 3.3Å; E201-R205 IonicContact OE1-NH1 3.52Å; E201-R205 PolarHBondContact OE1-NH1 2.85Å; E201-R205 IonicContact OE1-NH2 3.92Å; E201-R205 PolarHBondContact OE1-NH2 3.43Å; N202-R205 WeakPolarHBondContact O-CB 3.32Å; N202-R205 PolarHBondContact O-N 3.15Å; N202-R205 VanDerWaalsContact O-N 3.13Å; N202-R205 PolarHBondContact OD1-NH1 3.34Å; M203-R205 VanDerWaalsContact C-N 3.27Å; M203-R205 PolarHBondContact O-N 3.43Å; R205-K209 WeakPolarHBondContact O-CG 3.36Å; R205-K209 PolarHBondContact O-N 2.95Å
206	V	98.8	Very high	98.7	Very high	13 Å²	13	51.5 Å²	51.5	8%	0.079	25%	0.245	C	C	.	.	H	α-helix	trans	-62.9	-53.4	176.7	174.9	0	0	0	0	109.6	P188 S191 Y195 N202 M203 K208 K209 I210	P188-V206 HydrophobicContact CB-CG1 3.78Å; S191-V206 VanDerWaalsContact CB-CG2 3.41Å; Y195-V206 HydrophobicContact CD2-CG2 4.5Å; Y195-V206 HydrophobicContact CE2-CG2 4.3Å; N202-V206 WeakPolarHBondContact O-CG2 3.12Å; N202-V206 PolarHBondContact O-N 3.21Å; M203-V206 HydrophobicContact CE-CB 4.47Å; M203-V206 HydrophobicContact CE-CG1 4.37Å; M203-V206 PolarHBondContact O-N 3.16Å; M203-V206 HydrophobicContact SD-CG2 4.48Å; V206-K208 VanDerWaalsContact C-N 3.32Å; V206-K208 PolarHBondContact O-N 2.92Å; V206-K209 WeakPolarHBondContact O-CB 3.25Å; V206-K209 PolarHBondContact O-N 3.28Å; V206-K209 VanDerWaalsContact O-N 3.11Å; V206-I210 PolarHBondContact O-N 2.91Å; V206-I210 VanDerWaalsContact O-N 3.15Å
207	L	98.8	Very high	98.8	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.01	25%	0.246	C	C	.	.	H	α-helix	trans	-68.6	-31.4	-176.6	-67	169.2	0	0	0	112.4	Y40 Y44 F46 P188 M203 K209 I210 D211	Y40-L207 HydrophobicContact CD1-CD1 4.14Å; Y40-L207 HydrophobicContact CD2-CD1 3.93Å; Y40-L207 HydrophobicContact CD2-CD2 3.61Å; Y40-L207 HydrophobicContact CD2-CG 4.41Å; Y40-L207 HydrophobicContact CE2-CD1 4.41Å; Y40-L207 HydrophobicContact CE2-CD2 4.08Å; Y40-L207 HydrophobicContact CG-CD1 3.77Å; Y40-L207 HydrophobicContact CG-CD2 4.23Å; Y44-L207 HydrophobicContact CD1-CD1 4.12Å; Y44-L207 HydrophobicContact CD2-CD1 3.27Å; Y44-L207 HydrophobicContact CE1-CD1 4.23Å; Y44-L207 HydrophobicContact CE2-CD1 3.41Å; Y44-L207 VanDerWaalsContact CE2-CD1 3.41Å; Y44-L207 HydrophobicContact CG-CD1 3.65Å; F46-L207 HydrophobicContact CE1-CB 3.93Å; F46-L207 HydrophobicContact CE1-CD2 4.34Å; F46-L207 HydrophobicContact CZ-CB 3.79Å; F46-L207 HydrophobicContact CZ-CD1 4.24Å; F46-L207 HydrophobicContact CZ-CD2 4.06Å; F46-L207 HydrophobicContact CZ-CG 4.24Å; P188-L207 HydrophobicContact CB-CD2 3.84Å; P188-L207 HydrophobicContact CG-CD2 3.93Å; M203-L207 HydrophobicContact CE-CG 4.44Å; M203-L207 WeakPolarHBondContact O-CB 3.44Å; M203-L207 VanDerWaalsContact O-CG 3.3Å; M203-L207 WeakPolarHBondContact O-CG 3.28Å; M203-L207 PolarHBondContact O-N 2.95Å; L207-K209 VanDerWaalsContact C-N 3.33Å; L207-K209 PolarHBondContact O-N 2.89Å; L207-I210 PolarHBondContact O-N 2.49Å; L207-D211 PolarHBondContact O-N 3.17Å
208	K	98.8	Very high	98.8	Very high	84 Å²	84	51.5 Å²	51.5	37%	0.365	25%	0.245	S	C	.	.	H	α-helix	trans	-61.1	-41.9	171	-179.4	55.5	-176.2	139.5	0	111.9	S204 V206 I210 D211 D212	S204-K208 VanDerWaalsContact O-CB 3.22Å; S204-K208 WeakPolarHBondContact O-CB 3.3Å; S204-K208 PolarHBondContact O-N 2.85Å; V206-K208 VanDerWaalsContact C-N 3.32Å; V206-K208 PolarHBondContact O-N 2.92Å; K208-I210 VanDerWaalsContact C-N 3.33Å; K208-I210 PolarHBondContact O-N 3.45Å; K208-D211 IonicContact NZ-OD2 3.23Å; K208-D211 PolarHBondContact O-N 2.95Å; K208-D212 VanDerWaalsContact CE-OD1 3.29Å; K208-D212 WeakPolarHBondContact CE-OD1 3.3Å; K208-D212 IonicContact NZ-OD1 2.74Å; K208-D212 PolarHBondContact NZ-OD1 3.01Å; K208-D212 VanDerWaalsContact O-CG 3.23Å; K208-D212 PolarHBondContact O-N 2.65Å
209	K	98.9	Very high	98.8	Very high	143 Å²	143	49.8 Å²	49.8	62%	0.622	24%	0.237	S	C	*	.	H	α-helix	trans	-61.9	-42	174.2	-68.4	172.9	-179.8	-178.3	0	111.3	R205 V206 L207 D211 D212 L213	R205-K209 WeakPolarHBondContact O-CG 3.36Å; R205-K209 PolarHBondContact O-N 2.95Å; V206-K209 WeakPolarHBondContact O-CB 3.25Å; V206-K209 PolarHBondContact O-N 3.28Å; V206-K209 VanDerWaalsContact O-N 3.11Å; L207-K209 VanDerWaalsContact C-N 3.33Å; L207-K209 PolarHBondContact O-N 2.89Å; K209-D211 VanDerWaalsContact C-N 3.33Å; K209-D211 PolarHBondContact O-N 3.2Å; K209-D212 WeakPolarHBondContact O-CB 3.44Å; K209-D212 PolarHBondContact O-N 2.79Å; K209-D212 VanDerWaalsContact O-N 3.16Å; K209-L213 WeakPolarHBondContact O-CG 3.1Å; K209-L213 PolarHBondContact O-N 2.85Å
210	I	98.9	Very high	98.8	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-59.4	-44.6	175.6	-58.7	-58.4	0	0	0	111.2	F33 F36 E187 P188 V206 L207 K208 D212 L213 I214	F33-I210 HydrophobicContact CB-CG2 4.47Å; F33-I210 HydrophobicContact CD1-CD1 3.96Å; F33-I210 HydrophobicContact CD1-CG2 3.88Å; F33-I210 HydrophobicContact CD2-CG2 4.33Å; F33-I210 HydrophobicContact CE1-CD1 4.42Å; F33-I210 HydrophobicContact CE1-CG2 4.14Å; F33-I210 HydrophobicContact CG-CG2 3.98Å; F33-I210 HydrophobicContact CZ-CG2 4.47Å; F36-I210 HydrophobicContact CD2-CG2 4.03Å; F36-I210 HydrophobicContact CE2-CG2 3.67Å; E187-I210 HydrophobicContact CB-CD1 3.69Å; E187-I210 WeakPolarHBondContact O-CD1 3.32Å; P188-I210 HydrophobicContact CB-CG1 4.47Å; V206-I210 PolarHBondContact O-N 2.91Å; V206-I210 VanDerWaalsContact O-N 3.15Å; L207-I210 PolarHBondContact O-N 2.49Å; K208-I210 VanDerWaalsContact C-N 3.33Å; K208-I210 PolarHBondContact O-N 3.45Å; I210-D212 VanDerWaalsContact C-N 3.32Å; I210-D212 PolarHBondContact O-N 3.25Å; I210-L213 HydrophobicContact CD1-CD1 4.47Å; I210-L213 PolarHBondContact O-N 2.88Å; I210-I214 HydrophobicContact CG2-CD1 4.11Å; I210-I214 WeakPolarHBondContact O-CG1 3.36Å; I210-I214 PolarHBondContact O-N 3.27Å
211	D	98.9	Very high	98.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-60.3	-41.1	174.7	-169.1	63.3	0	0	0	112.1	F46 P47 H48 L49 L207 K208 K209 L213 I214 G215	F46-D211 VanDerWaalsContact CA-CG 3.49Å; F46-D211 WeakPolarHBondContact CA-OD1 3.48Å; F46-D211 WeakPolarHBondContact CB-OD1 3.33Å; F46-D211 HydrophobicContact CD1-CB 3.82Å; P47-D211 WeakPolarHBondContact CD-OD2 3.25Å; P47-D211 VanDerWaalsContact CG-OD2 3.25Å; P47-D211 WeakPolarHBondContact CG-OD2 3.21Å; H48-D211 VanDerWaalsContact CB-O 3.29Å; H48-D211 WeakPolarHBondContact CB-O 3.38Å; H48-D211 WeakPolarHBondContact CB-OD1 3.46Å; H48-D211 PolarHBondContact CD2-O 2.65Å; H48-D211 VanDerWaalsContact CD2-O 3.23Å; H48-D211 IonicContact CD2-OD2 2.79Å; H48-D211 PolarHBondContact CD2-OD2 3.03Å; H48-D211 IonicContact CG-OD2 3.86Å; H48-D211 PolarHBondContact N-OD1 3.01Å; H48-D211 PolarHBondContact N-OD2 3Å; H48-D211 VanDerWaalsContact N-OD2 3.14Å; L49-D211 PolarHBondContact N-OD1 3.23Å; L207-D211 PolarHBondContact O-N 3.17Å; K208-D211 IonicContact NZ-OD2 3.23Å; K208-D211 PolarHBondContact O-N 2.95Å; K209-D211 VanDerWaalsContact C-N 3.33Å; K209-D211 PolarHBondContact O-N 3.2Å; D211-L213 PolarHBondContact O-N 3.31Å; D211-I214 WeakPolarHBondContact O-CB 3.43Å; D211-I214 PolarHBondContact O-N 3.2Å; D211-G215 PolarHBondContact O-N 2.69Å
212	D	98.9	Very high	98.8	Very high	59 Å²	59	42.7 Å²	42.7	32%	0.316	20%	0.202	S	C	.	.	H	α-helix	trans	-61.6	-42.5	175.5	-63.1	-24.8	0	0	0	111.4	K208 K209 I210 I214 G215 D216	K208-D212 VanDerWaalsContact CE-OD1 3.29Å; K208-D212 WeakPolarHBondContact CE-OD1 3.3Å; K208-D212 IonicContact NZ-OD1 2.74Å; K208-D212 PolarHBondContact NZ-OD1 3.01Å; K208-D212 VanDerWaalsContact O-CG 3.23Å; K208-D212 PolarHBondContact O-N 2.65Å; K209-D212 WeakPolarHBondContact O-CB 3.44Å; K209-D212 PolarHBondContact O-N 2.79Å; K209-D212 VanDerWaalsContact O-N 3.16Å; I210-D212 VanDerWaalsContact C-N 3.32Å; I210-D212 PolarHBondContact O-N 3.25Å; D212-I214 VanDerWaalsContact C-N 3.33Å; D212-I214 PolarHBondContact O-N 2.96Å; D212-G215 CarbonylContact O-C 3.56Å; D212-G215 VanDerWaalsContact O-CA 3.29Å; D212-G215 WeakPolarHBondContact O-CA 3.48Å; D212-G215 PolarHBondContact O-N 2.83Å; D212-D216 PolarHBondContact O-N 3.35Å
213	L	98.9	Very high	98.8	Very high	30 Å²	30	48 Å²	48	16%	0.157	23%	0.228	C	C	.	.	H	α-helix	trans	-63.8	-35.9	175.3	-62.9	-176.5	0	0	0	112.6	F33 F160 W185 K209 I210 D211 G215 D216 L217	F33-L213 HydrophobicContact CE1-CB 4.26Å; F33-L213 HydrophobicContact CE1-CD1 4.27Å; F33-L213 HydrophobicContact CZ-CB 4.42Å; F160-L213 HydrophobicContact CB-CD1 4.08Å; F160-L213 HydrophobicContact CB-CD2 4.06Å; F160-L213 HydrophobicContact CD1-CB 4Å; F160-L213 HydrophobicContact CD1-CD1 4.14Å; F160-L213 HydrophobicContact CD1-CD2 3.62Å; F160-L213 HydrophobicContact CD1-CG 4.1Å; F160-L213 HydrophobicContact CD2-CD1 3.93Å; F160-L213 HydrophobicContact CE1-CB 3.75Å; F160-L213 HydrophobicContact CE1-CD2 4.24Å; F160-L213 HydrophobicContact CE1-CG 4.37Å; F160-L213 HydrophobicContact CE2-CD1 4.38Å; F160-L213 HydrophobicContact CG-CB 4.45Å; F160-L213 HydrophobicContact CG-CD1 3.79Å; F160-L213 HydrophobicContact CG-CD2 3.94Å; F160-L213 HydrophobicContact CG-CG 4.25Å; F160-L213 HydrophobicContact CZ-CB 4.03Å; W185-L213 HydrophobicContact CD2-CD1 4.47Å; W185-L213 HydrophobicContact CG-CD1 4.44Å; K209-L213 WeakPolarHBondContact O-CG 3.1Å; K209-L213 PolarHBondContact O-N 2.85Å; I210-L213 HydrophobicContact CD1-CD1 4.47Å; I210-L213 PolarHBondContact O-N 2.88Å; D211-L213 PolarHBondContact O-N 3.31Å; L213-G215 VanDerWaalsContact C-N 3.31Å; L213-D216 PolarHBondContact O-N 3.47Å; L213-L217 PolarHBondContact O-N 3.4Å
214	I	98.9	Very high	98.8	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-64.7	-40	171.2	-67	165.4	0	0	0	109.8	F33 H48 L49 I210 D211 D212 L217 V218 I234	F33-I214 HydrophobicContact CE2-CD1 4.14Å; F33-I214 HydrophobicContact CE2-CG1 3.66Å; F33-I214 HydrophobicContact CZ-CG1 3.84Å; H48-I214 HydrophobicContact CB-CG2 4.33Å; L49-I214 HydrophobicContact CB-CD1 4.02Å; L49-I214 HydrophobicContact CB-CG2 4.34Å; L49-I214 HydrophobicContact CD1-CD1 4.21Å; L49-I214 HydrophobicContact CD2-CD1 4.27Å; L49-I214 HydrophobicContact CG-CD1 4.37Å; I210-I214 HydrophobicContact CG2-CD1 4.11Å; I210-I214 WeakPolarHBondContact O-CG1 3.36Å; I210-I214 PolarHBondContact O-N 3.27Å; D211-I214 WeakPolarHBondContact O-CB 3.43Å; D211-I214 PolarHBondContact O-N 3.2Å; D212-I214 VanDerWaalsContact C-N 3.33Å; D212-I214 PolarHBondContact O-N 2.96Å; I214-L217 WeakPolarHBondContact O-CB 3.44Å; I214-L217 PolarHBondContact O-N 2.87Å; I214-V218 WeakPolarHBondContact O-CG2 3.31Å; I214-V218 PolarHBondContact O-N 3.41Å; I214-I234 HydrophobicContact CG1-CD1 4.43Å; I214-I234 HydrophobicContact CG2-CD1 4.03Å
215	G	98.9	Very high	98.7	Very high	1 Å²	1	50 Å²	50	1%	0.01	25%	0.247	C	C	.	.	H	α-helix	trans	-57.7	-45.8	171.5	0	0	0	0	0	112.7	D211 D212 L213 V218 Q219	D211-G215 PolarHBondContact O-N 2.69Å; D212-G215 CarbonylContact O-C 3.56Å; D212-G215 VanDerWaalsContact O-CA 3.29Å; D212-G215 WeakPolarHBondContact O-CA 3.48Å; D212-G215 PolarHBondContact O-N 2.83Å; L213-G215 VanDerWaalsContact C-N 3.31Å; G215-V218 PolarHBondContact O-N 3.08Å; G215-Q219 WeakPolarHBondContact O-CB 3.3Å; G215-Q219 VanDerWaalsContact O-CG 3.25Å; G215-Q219 WeakPolarHBondContact O-CG 3.43Å; G215-Q219 PolarHBondContact O-N 3.03Å; G215-Q219 PolarHBondContact O-NE2 3.2Å
216	D	98.9	Very high	98.7	Very high	77 Å²	77	44.7 Å²	44.7	41%	0.412	23%	0.227	S	C	.	.	H	α-helix	trans	-64	-42.4	177.5	-68.8	-21.3	0	0	0	111.7	L164 D212 L213 Q219 K220	L164-D216 HydrophobicContact CD2-CB 4.13Å; D212-D216 PolarHBondContact O-N 3.35Å; L213-D216 PolarHBondContact O-N 3.47Å; D216-Q219 PolarHBondContact O-N 3.32Å; D216-K220 VanDerWaalsContact O-CB 3.28Å; D216-K220 WeakPolarHBondContact O-CB 3.29Å; D216-K220 PolarHBondContact O-N 2.93Å
217	L	98.9	Very high	98.6	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-56.2	-53.8	173	169	64	0	0	0	111	L29 V31 L164 L213 I214 Q219 K220 L221 V232 I234	L29-L217 HydrophobicContact CD2-CD1 3.96Å; V31-L217 HydrophobicContact CG2-CD2 4.07Å; L164-L217 HydrophobicContact CD1-CB 4.15Å; L164-L217 HydrophobicContact CD1-CD1 3.46Å; L164-L217 VanDerWaalsContact CD1-CD1 3.46Å; L164-L217 HydrophobicContact CD1-CG 4.41Å; L213-L217 PolarHBondContact O-N 3.4Å; I214-L217 WeakPolarHBondContact O-CB 3.44Å; I214-L217 PolarHBondContact O-N 2.87Å; L217-Q219 VanDerWaalsContact C-N 3.34Å; L217-Q219 PolarHBondContact O-N 3.21Å; L217-K220 PolarHBondContact O-N 3.39Å; L217-L221 HydrophobicContact CD1-CD1 3.9Å; L217-L221 HydrophobicContact CD1-CG 4.03Å; L217-L221 HydrophobicContact CG-CD1 4.21Å; L217-L221 VanDerWaalsContact O-CG 3.29Å; L217-L221 WeakPolarHBondContact O-CG 3.41Å; L217-L221 PolarHBondContact O-N 2.96Å; L217-V232 HydrophobicContact CD2-CG1 4.44Å; L217-I234 HydrophobicContact CD2-CD1 4.1Å; L217-I234 HydrophobicContact CD2-CG1 4.43Å
218	V	98.8	Very high	98.5	Very high	10 Å²	10	49.9 Å²	49.9	6%	0.061	25%	0.25	C	S	.	.	H	α-helix	trans	-60.7	-44	-179.2	173.3	0	0	0	0	111	F52 I214 G215 L221 K222 W227	F52-V218 HydrophobicContact CD2-CG2 4.07Å; I214-V218 WeakPolarHBondContact O-CG2 3.31Å; I214-V218 PolarHBondContact O-N 3.41Å; G215-V218 PolarHBondContact O-N 3.08Å; V218-L221 PolarHBondContact O-N 3Å; V218-K222 HydrophobicContact CG1-CD 4.22Å; V218-K222 WeakPolarHBondContact O-CG 3.39Å; V218-K222 PolarHBondContact O-N 3.49Å; V218-W227 HydrophobicContact CB-CZ3 4.22Å; V218-W227 HydrophobicContact CG1-CD2 4.49Å; V218-W227 HydrophobicContact CG1-CE3 4.12Å; V218-W227 HydrophobicContact CG1-CH2 4Å; V218-W227 HydrophobicContact CG1-CZ2 4.34Å; V218-W227 HydrophobicContact CG1-CZ3 3.88Å; V218-W227 HydrophobicContact CG2-CH2 3.98Å; V218-W227 HydrophobicContact CG2-CZ3 3.75Å
219	Q	98.8	Very high	98.4	Very high	105 Å²	105	51.6 Å²	51.6	49%	0.491	26%	0.264	S	S	.	.	H	α-helix	trans	-61.2	-46.3	177.2	-75.3	173.8	72.8	0	0	111.5	G215 D216 L217 L221 K222 M223	G215-Q219 WeakPolarHBondContact O-CB 3.3Å; G215-Q219 VanDerWaalsContact O-CG 3.25Å; G215-Q219 WeakPolarHBondContact O-CG 3.43Å; G215-Q219 PolarHBondContact O-N 3.03Å; G215-Q219 PolarHBondContact O-NE2 3.2Å; D216-Q219 PolarHBondContact O-N 3.32Å; L217-Q219 VanDerWaalsContact C-N 3.34Å; L217-Q219 PolarHBondContact O-N 3.21Å; Q219-L221 VanDerWaalsContact C-N 3.35Å; Q219-L221 PolarHBondContact O-N 3.03Å; Q219-K222 PolarHBondContact O-N 3.25Å; Q219-M223 VanDerWaalsContact O-CG 3.3Å; Q219-M223 WeakPolarHBondContact O-CG 3.46Å; Q219-M223 PolarHBondContact O-N 3.33Å
220	K	98.7	Very high	98.4	Very high	45 Å²	45	44.9 Å²	44.9	20%	0.196	23%	0.234	C	C	.	.	H	α-helix	trans	-60.4	-44.6	178.2	-169.9	72.7	-177.2	-164.8	0	111.6	L164 N165 T168 D216 L217 K222 M223 L224	L164-K220 HydrophobicContact CD2-CB 4.14Å; L164-K220 HydrophobicContact CG-CB 4.39Å; L164-K220 HydrophobicContact CG-CG 4.34Å; N165-K220 WeakPolarHBondContact OD1-CE 3.4Å; N165-K220 PolarHBondContact OD1-NZ 2.97Å; T168-K220 HydrophobicContact CG2-CG 4.17Å; D216-K220 VanDerWaalsContact O-CB 3.28Å; D216-K220 WeakPolarHBondContact O-CB 3.29Å; D216-K220 PolarHBondContact O-N 2.93Å; L217-K220 PolarHBondContact O-N 3.39Å; K220-K222 VanDerWaalsContact C-N 3.34Å; K220-K222 PolarHBondContact O-N 3.14Å; K220-M223 PolarHBondContact O-N 2.95Å; K220-L224 HydrophobicContact CG-CD1 4.22Å; K220-L224 WeakPolarHBondContact O-CG 3.43Å; K220-L224 PolarHBondContact O-N 2.97Å; K220-L224 VanDerWaalsContact O-N 3.08Å
221	L	98.8	Very high	98.4	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-62.7	-39.9	177.1	-67.3	178.7	0	0	0	112.3	T168 L217 V218 Q219 G225 L226 W227 L230 V232	T168-L221 HydrophobicContact CG2-CD2 3.91Å; L217-L221 HydrophobicContact CD1-CD1 3.9Å; L217-L221 HydrophobicContact CD1-CG 4.03Å; L217-L221 HydrophobicContact CG-CD1 4.21Å; L217-L221 VanDerWaalsContact O-CG 3.29Å; L217-L221 WeakPolarHBondContact O-CG 3.41Å; L217-L221 PolarHBondContact O-N 2.96Å; V218-L221 PolarHBondContact O-N 3Å; Q219-L221 VanDerWaalsContact C-N 3.35Å; Q219-L221 PolarHBondContact O-N 3.03Å; L221-G225 PolarHBondContact O-N 3.32Å; L221-L226 HydrophobicContact CB-CB 4.46Å; L221-L226 HydrophobicContact CD2-CB 3.95Å; L221-L226 HydrophobicContact CD2-CD1 4.05Å; L221-L226 PolarHBondContact O-N 3.35Å; L221-W227 HydrophobicContact CB-CB 4.39Å; L221-W227 HydrophobicContact CB-CE3 4.19Å; L221-W227 HydrophobicContact CD1-CE3 4.11Å; L221-W227 HydrophobicContact CD1-CZ3 4.4Å; L221-W227 PolarHBondContact O-N 2.81Å; L221-L230 HydrophobicContact CD1-CD2 4.36Å; L221-L230 HydrophobicContact CD2-CD2 3.58Å; L221-V232 HydrophobicContact CD1-CG2 3.72Å
222	K	98.6	Very high	98.4	Very high	104 Å²	104	45 Å²	45	45%	0.452	24%	0.235	S	C	.	.	H	α-helix	trans	-65.9	-45	175.2	-73.9	179.3	178.2	-175.7	0	111.9	V218 Q219 K220 L224 G225 W227	V218-K222 HydrophobicContact CG1-CD 4.22Å; V218-K222 WeakPolarHBondContact O-CG 3.39Å; V218-K222 PolarHBondContact O-N 3.49Å; Q219-K222 PolarHBondContact O-N 3.25Å; K220-K222 VanDerWaalsContact C-N 3.34Å; K220-K222 PolarHBondContact O-N 3.14Å; K222-L224 VanDerWaalsContact C-N 3.25Å; K222-L224 PolarHBondContact O-N 2.91Å; K222-G225 PolarHBondContact O-N 3.07Å; K222-G225 VanDerWaalsContact O-N 3.07Å; K222-W227 HydrophobicContact CB-CB 4.5Å; K222-W227 HydrophobicContact CD-CG 4.48Å; K222-W227 HydrophobicContact CG-CB 3.69Å; K222-W227 HydrophobicContact CG-CD2 4.21Å; K222-W227 HydrophobicContact CG-CG 3.69Å
223	M	98.4	Very high	98.4	Very high	154 Å²	154	42.2 Å²	42.2	76%	0.759	22%	0.22	S	C	*	.	H	α-helix	trans	-59.4	-35.5	177.9	-73.5	173.1	73.4	0	0	112.9	Q219 K220 G225	Q219-M223 VanDerWaalsContact O-CG 3.3Å; Q219-M223 WeakPolarHBondContact O-CG 3.46Å; Q219-M223 PolarHBondContact O-N 3.33Å; K220-M223 PolarHBondContact O-N 2.95Å; M223-G225 VanDerWaalsContact C-N 3.34Å
224	L	98	Very high	98.4	Very high	42 Å²	42	40.8 Å²	40.8	22%	0.22	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	0.2	178.8	-60.9	178.3	0	0	0	113.7	M169 K220 K222 L226	M169-L224 HydrophobicContact CE-CD1 3.44Å; M169-L224 VanDerWaalsContact CE-CD1 3.44Å; M169-L224 HydrophobicContact CE-CD2 3.28Å; M169-L224 HydrophobicContact CE-CG 3.99Å; K220-L224 HydrophobicContact CG-CD1 4.22Å; K220-L224 WeakPolarHBondContact O-CG 3.43Å; K220-L224 PolarHBondContact O-N 2.97Å; K220-L224 VanDerWaalsContact O-N 3.08Å; K222-L224 VanDerWaalsContact C-N 3.25Å; K222-L224 PolarHBondContact O-N 2.91Å; L224-L226 HydrophobicContact CB-CD1 4.13Å; L224-L226 HydrophobicContact CB-CG 4.07Å; L224-L226 HydrophobicContact CD1-CD1 4.22Å; L224-L226 PolarHBondContact O-N 3.4Å
225	G	97.6	Very high	98.4	Very high	52 Å²	52	40.8 Å²	40.8	54%	0.536	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.4	18.2	-175.7	0	0	0	0	0	114.1	L221 K222 M223	L221-G225 PolarHBondContact O-N 3.32Å; K222-G225 PolarHBondContact O-N 3.07Å; K222-G225 VanDerWaalsContact O-N 3.07Å; M223-G225 VanDerWaalsContact C-N 3.34Å
226	L	98	Very high	98.4	Very high	14 Å²	14	40.8 Å²	40.8	7%	0.073	21%	0.212	C	C	.	.			trans	-86.3	-23.6	179.4	-69.8	175.9	0	0	0	113	L171 N172 L221 L224 E228 N229 L230	L171-L226 HydrophobicContact CB-CD1 4.3Å; N172-L226 HydrophobicContact CB-CD1 4.26Å; L221-L226 HydrophobicContact CB-CB 4.46Å; L221-L226 HydrophobicContact CD2-CB 3.95Å; L221-L226 HydrophobicContact CD2-CD1 4.05Å; L221-L226 PolarHBondContact O-N 3.35Å; L224-L226 HydrophobicContact CB-CD1 4.13Å; L224-L226 HydrophobicContact CB-CG 4.07Å; L224-L226 HydrophobicContact CD1-CD1 4.22Å; L224-L226 PolarHBondContact O-N 3.4Å; L226-E228 PolarHBondContact O-N 2.67Å; L226-N229 PolarHBondContact O-N 2.87Å; L226-N229 VanDerWaalsContact O-N 3.11Å; L226-L230 HydrophobicContact CB-CB 4.3Å; L226-L230 HydrophobicContact CB-CD2 4.46Å; L226-L230 WeakPolarHBondContact O-CB 3.1Å; L226-L230 PolarHBondContact O-N 3.41Å
227	W	98.2	Very high	98.4	Very high	9 Å²	9	37.1 Å²	37.1	3%	0.034	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-47.2	-171.1	-179	-110.5	0	0	0	114.4	F52 V218 L221 K222 H352	F52-W227 AromaticContact CD2-CH2 3.62Å; F52-W227 HydrophobicContact CD2-CH2 3.62Å; F52-W227 AromaticContact CD2-CZ3 3.89Å; F52-W227 HydrophobicContact CD2-CZ3 3.89Å; F52-W227 HydrophobicContact CE2-CH2 4.14Å; F52-W227 HydrophobicContact CE2-CZ3 4.11Å; F52-W227 HydrophobicContact CG-CH2 4.46Å; V218-W227 HydrophobicContact CB-CZ3 4.22Å; V218-W227 HydrophobicContact CG1-CD2 4.49Å; V218-W227 HydrophobicContact CG1-CE3 4.12Å; V218-W227 HydrophobicContact CG1-CH2 4Å; V218-W227 HydrophobicContact CG1-CZ2 4.34Å; V218-W227 HydrophobicContact CG1-CZ3 3.88Å; V218-W227 HydrophobicContact CG2-CH2 3.98Å; V218-W227 HydrophobicContact CG2-CZ3 3.75Å; L221-W227 HydrophobicContact CB-CB 4.39Å; L221-W227 HydrophobicContact CB-CE3 4.19Å; L221-W227 HydrophobicContact CD1-CE3 4.11Å; L221-W227 HydrophobicContact CD1-CZ3 4.4Å; L221-W227 PolarHBondContact O-N 2.81Å; K222-W227 HydrophobicContact CB-CB 4.5Å; K222-W227 HydrophobicContact CD-CG 4.48Å; K222-W227 HydrophobicContact CG-CB 3.69Å; K222-W227 HydrophobicContact CG-CD2 4.21Å; K222-W227 HydrophobicContact CG-CG 3.69Å; W227-H352 AromaticContact CD2-CE1 3.63Å; W227-H352 AromaticContact CE2-CE1 3.26Å; W227-H352 AromaticContact CE2-ND1 3.87Å; W227-H352 AromaticContact CE2-NE2 3.51Å; W227-H352 AromaticContact CE3-ND1 3.96Å; W227-H352 HydrophobicContact CH2-CB 4.28Å; W227-H352 AromaticContact CH2-CD2 3.88Å; W227-H352 AromaticContact CH2-CE1 3.8Å; W227-H352 AromaticContact CH2-CG 3.64Å; W227-H352 AromaticContact CH2-ND1 3.59Å; W227-H352 AromaticContact CH2-NE2 4Å; W227-H352 AromaticContact CZ2-CD2 3.59Å; W227-H352 AromaticContact CZ2-CE1 3.39Å; W227-H352 WeakPolarHBondContact CZ2-CE1 3.26Å; W227-H352 AromaticContact CZ2-CG 3.81Å; W227-H352 AromaticContact CZ2-ND1 3.68Å; W227-H352 AromaticContact CZ2-NE2 3.34Å; W227-H352 VanDerWaalsContact CZ2-NE2 3.34Å; W227-H352 WeakPolarHBondContact CZ2-NE2 3.39Å; W227-H352 AromaticContact CZ3-ND1 3.72Å; W227-H352 AromaticContact NE1-CE1 3.6Å; W227-H352 AromaticContact NE1-NE2 3.69Å; W227-H352 PolarHBondContact O-CE1 2.86Å; W227-H352 VanDerWaalsContact O-CE1 3.23Å
228	E	96.5	Very high	98.4	Very high	115 Å²	115	37 Å²	37	54%	0.537	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-20.5	-175.4	-61.6	-63.2	158.5	0	0	113.9	L226	L226-E228 PolarHBondContact O-N 2.67Å
229	N	96.6	Very high	98.4	Very high	121 Å²	121	36.6 Å²	36.6	65%	0.647	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.5	-11.9	-168.2	-62.8	-52	0	0	0	113.9	L226	L226-N229 PolarHBondContact O-N 2.87Å; L226-N229 VanDerWaalsContact O-N 3.11Å
230	L	98.6	Very high	98.4	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	129.6	176.8	179.4	64.6	0	0	0	109.9	K27 L29 L171 L221 L226 V232	K27-L230 HydrophobicContact CB-CD1 3.53Å; L29-L230 HydrophobicContact CB-CD1 4.37Å; L29-L230 HydrophobicContact CB-CD2 4.03Å; L29-L230 HydrophobicContact CB-CG 4.41Å; L29-L230 HydrophobicContact CD2-CD2 4.32Å; L171-L230 HydrophobicContact CD1-CD1 4.44Å; L171-L230 HydrophobicContact CD1-CD2 4.04Å; L171-L230 HydrophobicContact CD2-CD1 4.12Å; L221-L230 HydrophobicContact CD1-CD2 4.36Å; L221-L230 HydrophobicContact CD2-CD2 3.58Å; L226-L230 HydrophobicContact CB-CB 4.3Å; L226-L230 HydrophobicContact CB-CD2 4.46Å; L226-L230 WeakPolarHBondContact O-CB 3.1Å; L226-L230 PolarHBondContact O-N 3.41Å; L230-V232 HydrophobicContact CD2-CG2 3.88Å; L230-V232 HydrophobicContact CG-CG2 3.89Å
231	N	98.9	Very high	98.5	Very high	5 Å²	5	30 Å²	30	3%	0.027	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	131.1	165.2	-58.7	-68.3	0	0	0	108.8	K27 L28 L29 H352 P354 A355 F356 I377	K27-N231 WeakPolarHBondContact O-CB 3.21Å; K27-N231 PolarHBondContact O-N 3.31Å; K27-N231 VanDerWaalsContact O-N 3.09Å; K27-N231 PolarHBondContact O-ND2 2.84Å; L28-N231 CarbonylContact C-O 3.49Å; L28-N231 VanDerWaalsContact CA-O 3.3Å; L28-N231 WeakPolarHBondContact CA-O 3.16Å; L28-N231 HydrophobicContact CD1-CB 3.7Å; L29-N231 PolarHBondContact N-O 3.1Å; N231-H352 CarbonylContact C-O 3.56Å; N231-H352 WeakPolarHBondContact CA-O 3.33Å; N231-P354 VanDerWaalsContact OD1-CD 3.23Å; N231-P354 WeakPolarHBondContact OD1-CD 3.26Å; N231-A355 WeakPolarHBondContact OD1-CB 3.48Å; N231-A355 PolarHBondContact OD1-N 3.48Å; N231-F356 HydrophobicContact CB-CE2 4.04Å; N231-I377 HydrophobicContact CB-CG2 4.26Å
232	V	98.9	Very high	98.5	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	128.6	179.4	-174.1	0	0	0	0	108.3	L29 V31 F52 L217 L221 L230 I234 A351 H352	L29-V232 HydrophobicContact CB-CG2 4.43Å; L29-V232 HydrophobicContact CD2-CG1 4.41Å; L29-V232 CarbonylContact O-C 3.34Å; L29-V232 WeakPolarHBondContact O-CA 3.36Å; V31-V232 HydrophobicContact CG2-CG1 4.28Å; F52-V232 HydrophobicContact CE2-CB 4.04Å; F52-V232 HydrophobicContact CE2-CG1 3.98Å; F52-V232 HydrophobicContact CZ-CB 4.04Å; F52-V232 HydrophobicContact CZ-CG1 4.03Å; L217-V232 HydrophobicContact CD2-CG1 4.44Å; L221-V232 HydrophobicContact CD1-CG2 3.72Å; L230-V232 HydrophobicContact CD2-CG2 3.88Å; L230-V232 HydrophobicContact CG-CG2 3.89Å; V232-I234 HydrophobicContact CG1-CG1 4.25Å; V232-A351 CarbonylContact O-C 3.57Å; V232-A351 WeakPolarHBondContact O-CA 3.45Å; V232-A351 WeakPolarHBondContact O-CB 3.19Å; V232-H352 PolarHBondContact N-O 3.01Å; V232-H352 PolarHBondContact O-N 2.9Å
233	I	99	Very high	98.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	126.2	169	-64.7	168.6	0	0	0	107	L28 L29 L30 V31 T235 L349 A350 A351 F356 M373 M374	L28-I233 HydrophobicContact CD1-CD1 3.86Å; L28-I233 HydrophobicContact CD1-CG1 3.99Å; L28-I233 HydrophobicContact CD2-CD1 4.33Å; L29-I233 PolarHBondContact O-N 3.34Å; L30-I233 HydrophobicContact CD1-CB 3.92Å; L30-I233 HydrophobicContact CD1-CG2 3.71Å; V31-I233 PolarHBondContact N-O 3.1Å; I233-T235 HydrophobicContact CG2-CG2 4.33Å; I233-L349 HydrophobicContact CG2-CD1 3.74Å; I233-L349 HydrophobicContact CG2-CD2 4.42Å; I233-L349 HydrophobicContact CG2-CG 3.88Å; I233-A350 WeakPolarHBondContact CA-O 3.36Å; I233-A351 HydrophobicContact CG1-CB 3.98Å; I233-F356 HydrophobicContact CD1-CZ 4.17Å; I233-F356 HydrophobicContact CG1-CE2 4.29Å; I233-F356 HydrophobicContact CG1-CZ 3.87Å; I233-M373 HydrophobicContact CD1-CE 3.52Å; I233-M373 HydrophobicContact CG1-CE 4.44Å; I233-M374 HydrophobicContact CD1-CG 3.88Å; I233-M374 HydrophobicContact CD1-SD 4.28Å
234	I	99	Very high	98.4	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	119.3	168.3	-59.2	175.7	0	0	0	106.7	V31 F33 L49 F52 I214 L217 V232 F348 A350	V31-I234 HydrophobicContact CB-CG1 4.3Å; F33-I234 HydrophobicContact CD2-CG2 3.91Å; F33-I234 HydrophobicContact CE2-CG2 3.95Å; L49-I234 HydrophobicContact CD1-CD1 4.45Å; F52-I234 HydrophobicContact CD1-CD1 4.18Å; F52-I234 HydrophobicContact CD2-CD1 3.98Å; F52-I234 HydrophobicContact CE1-CD1 4.02Å; F52-I234 HydrophobicContact CE1-CG1 4.24Å; F52-I234 HydrophobicContact CE2-CD1 3.82Å; F52-I234 HydrophobicContact CE2-CG1 4.32Å; F52-I234 HydrophobicContact CG-CD1 4.17Å; F52-I234 HydrophobicContact CZ-CD1 3.84Å; F52-I234 HydrophobicContact CZ-CG1 3.96Å; I214-I234 HydrophobicContact CG1-CD1 4.43Å; I214-I234 HydrophobicContact CG2-CD1 4.03Å; L217-I234 HydrophobicContact CD2-CD1 4.1Å; L217-I234 HydrophobicContact CD2-CG1 4.43Å; V232-I234 HydrophobicContact CG1-CG1 4.25Å; I234-F348 HydrophobicContact CG2-CZ 4.25Å; I234-A350 PolarHBondContact N-O 3.14Å; I234-A350 PolarHBondContact O-N 3.29Å; I234-A350 VanDerWaalsContact O-O 3.12Å
235	T	98.9	Very high	98.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	-175.6	-177.8	-168	0	0	0	0	109.8	L30 V31 S32 F33 I77 I233 F348	L30-T235 HydrophobicContact CD1-CG2 3.89Å; V31-T235 PolarHBondContact O-N 2.72Å; S32-T235 WeakPolarHBondContact CA-O 3.44Å; F33-T235 PolarHBondContact N-O 2.91Å; I77-T235 HydrophobicContact CD1-CG2 4.31Å; I233-T235 HydrophobicContact CG2-CG2 4.33Å; T235-F348 WeakPolarHBondContact CA-O 3.41Å; T235-F348 PolarHBondContact OG1-O 3.03Å; T235-F348 VanDerWaalsContact OG1-O 3.07Å
236	S	98.9	Very high	98.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.142	C	C	.	.			trans	-141.2	-177.8	165.1	-174.5	0	0	0	0	109	F33 G35 F36 H238 P347	F33-S236 WeakPolarHBondContact O-CB 3.45Å; F33-S236 PolarHBondContact O-OG 3.28Å; G35-S236 PolarHBondContact N-OG 2.98Å; F36-S236 PolarHBondContact N-OG 2.92Å; S236-H238 PolarHBondContact OG-O 3.02Å; S236-P347 WeakPolarHBondContact O-CG 3.33Å
237	D	98.9	Very high	98.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	-105.9	-37.6	-174.2	60.1	-31	0	0	0	112.4	G35 N64 T70 N73 H74	G35-D237 PolarHBondContact N-OD1 3.01Å; G35-D237 VanDerWaalsContact N-OD1 3.11Å; N64-D237 PolarHBondContact ND2-O 2.95Å; T70-D237 VanDerWaalsContact CA-OD2 3.22Å; T70-D237 WeakPolarHBondContact CA-OD2 3.46Å; N73-D237 HydrophobicContact CB-CB 3.85Å; H74-D237 VanDerWaalsContact CE1-CB 3.46Å; H74-D237 WeakPolarHBondContact CE1-CB 3.32Å; H74-D237 IonicContact CE1-OD1 3.08Å; H74-D237 IonicContact CE1-OD2 3.96Å; H74-D237 PolarHBondContact CE1-OD2 2.95Å; H74-D237 WeakPolarHBondContact ND1-CB 3.21Å; H74-D237 IonicContact ND1-OD2 3.26Å; H74-D237 PolarHBondContact ND1-OD2 3.35Å; H74-D237 VanDerWaalsContact ND1-OD2 3.08Å
238	H	98.9	Very high	98.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.164	C	C	.	.			trans	-151.8	177.2	174	54	70.9	0	0	0	112.7	D34 G35 F36 N64 T68 T70 D189 S236 H336 M345	D34-H238 IonicContact OD1-CE1 3.19Å; D34-H238 PolarHBondContact OD1-CE1 3.29Å; D34-H238 VanDerWaalsContact OD1-CE1 3.32Å; D34-H238 IonicContact OD1-NE2 2.65Å; D34-H238 PolarHBondContact OD1-NE2 3.14Å; G35-H238 CarbonylContact C-O 3.59Å; G35-H238 VanDerWaalsContact C-O 3.24Å; G35-H238 VanDerWaalsContact CA-O 3.3Å; G35-H238 WeakPolarHBondContact CA-O 3.4Å; F36-H238 PolarHBondContact N-O 3.46Å; N64-H238 WeakPolarHBondContact ND2-CB 3.29Å; T68-H238 PolarHBondContact O-CD2 3.46Å; T70-H238 PolarHBondContact OG1-NE2 2.92Å; D189-H238 IonicContact OD1-CE1 3.65Å; D189-H238 PolarHBondContact OD1-CE1 3.27Å; S236-H238 PolarHBondContact OG-O 3.02Å; H238-H336 AromaticContact CD2-CE1 3.78Å; H238-H336 AromaticContact CD2-ND1 3.48Å; H238-H336 PolarHBondContact CD2-ND1 3.33Å; H238-H336 AromaticContact CE1-CD2 3.43Å; H238-H336 PolarHBondContact CE1-CD2 3.12Å; H238-H336 VanDerWaalsContact CE1-CD2 3.43Å; H238-H336 AromaticContact CE1-CE1 3.11Å; H238-H336 PolarHBondContact CE1-CE1 3.39Å; H238-H336 AromaticContact CE1-CG 3.38Å; H238-H336 AromaticContact CE1-ND1 3.18Å; H238-H336 PolarHBondContact CE1-ND1 3.02Å; H238-H336 AromaticContact CE1-NE2 3.36Å; H238-H336 PolarHBondContact CE1-NE2 2.85Å; H238-H336 AromaticContact CG-CG 3.93Å; H238-H336 AromaticContact CG-ND1 3.61Å; H238-H336 AromaticContact ND1-CD2 3.76Å; H238-H336 AromaticContact ND1-CE1 3.83Å; H238-H336 AromaticContact ND1-CG 3.36Å; H238-H336 AromaticContact ND1-ND1 3.4Å; H238-H336 PolarHBondContact ND1-ND1 3.11Å; H238-H336 AromaticContact NE2-CE1 2.97Å; H238-H336 PolarHBondContact NE2-CE1 3.35Å; H238-H336 AromaticContact NE2-CG 3.85Å; H238-H336 AromaticContact NE2-ND1 3.14Å; H238-H336 PolarHBondContact NE2-ND1 2.84Å; H238-H336 VanDerWaalsContact NE2-ND1 3.14Å; H238-H336 AromaticContact NE2-NE2 3.67Å; H238-M345 CarbonylContact C-O 3.52Å; H238-M345 WeakPolarHBondContact CA-O 3.48Å
239	G	98.8	Very high	98.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.139	C	C	.	.			trans	-99.3	-146.4	167.3	0	0	0	0	0	112.8	H336 S344 M345	G239-H336 WeakPolarHBondContact O-CB 3.24Å; G239-S344 CarbonylContact C-O 3.57Å; G239-S344 VanDerWaalsContact CA-O 3.25Å; G239-S344 WeakPolarHBondContact CA-O 3.33Å; G239-M345 VanDerWaalsContact N-C 3.35Å; G239-M345 PolarHBondContact N-O 3.28Å
240	M	98.9	Very high	98.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.122	C	C	.	.			trans	-158.2	142	-175.2	-171.2	68.4	66	0	0	109.9	R37 D189 P197 D335 S344	R37-M240 VanDerWaalsContact CD-O 3.26Å; R37-M240 WeakPolarHBondContact CD-O 3.18Å; R37-M240 PolarHBondContact NH1-O 3.28Å; D189-M240 WeakPolarHBondContact OD1-CE 3.42Å; P197-M240 HydrophobicContact CB-CB 4.44Å; P197-M240 HydrophobicContact CB-CG 4.39Å; P197-M240 HydrophobicContact CG-CB 4.47Å; P197-M240 HydrophobicContact CG-CG 4.14Å; M240-D335 VanDerWaalsContact SD-CA 3.55Å; M240-D335 PolarHBondContact SD-N 3.45Å; M240-S344 PolarHBondContact N-O 3.18Å
241	T	98.9	Very high	98.5	Very high	12 Å²	12	24.1 Å²	24.1	7%	0.074	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	157.7	173.4	-158	0	0	0	0	111.9	E320 G334 D335 Y338 M345	T241-E320 HydrophobicContact CG2-CG 3.93Å; T241-E320 PolarHBondContact OG1-OE1 3.05Å; T241-G334 CarbonylContact O-C 3.58Å; T241-G334 VanDerWaalsContact O-CA 3.31Å; T241-G334 WeakPolarHBondContact O-CA 3.15Å; T241-D335 PolarHBondContact N-O 2.91Å; T241-D335 PolarHBondContact O-N 3.21Å; T241-Y338 HydrophobicContact CG2-CD2 3.77Å; T241-Y338 HydrophobicContact CG2-CE2 3.33Å; T241-M345 HydrophobicContact CG2-CE 3.95Å
242	Q	98.8	Very high	98.4	Very high	25 Å²	25	25.9 Å²	25.9	12%	0.117	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	128.6	-174.6	-168.4	72	36.1	0	0	111.5	P197 E198 R247 G321 L333	P197-Q242 VanDerWaalsContact CD-OE1 3.31Å; P197-Q242 HydrophobicContact CG-CB 4.36Å; E198-Q242 HydrophobicContact CB-CG 4.37Å; E198-Q242 HydrophobicContact CG-CB 3.94Å; E198-Q242 HydrophobicContact CG-CG 4.19Å; E198-Q242 VanDerWaalsContact N-OE1 3.11Å; Q242-R247 PolarHBondContact O-NH2 2.8Å; Q242-G321 VanDerWaalsContact O-CA 3.29Å; Q242-G321 WeakPolarHBondContact O-CA 3.22Å; Q242-L333 PolarHBondContact NE2-O 2.69Å; Q242-L333 VanDerWaalsContact NE2-O 3.1Å
243	C	98.6	Very high	98.2	Very high	4 Å²	4	29 Å²	29	3%	0.027	16%	0.164	C	C	.	.			trans	-97.2	161.2	170.9	-64.5	0	0	0	0	110.9	T323 K332 L333 D335 Y338	C243-T323 PolarHBondContact SG-OG1 2.86Å; C243-T323 VanDerWaalsContact SG-OG1 3.41Å; C243-K332 WeakPolarHBondContact CB-O 3.41Å; C243-L333 PolarHBondContact N-O 2.98Å; C243-D335 WeakPolarHBondContact SG-CB 3.49Å; C243-Y338 PolarHBondContact SG-OH 3.04Å
244	S	98	Very high	98.1	Very high	27 Å²	27	30.9 Å²	30.9	19%	0.189	18%	0.176	C	C	.	.			trans	-148.8	153.6	179	-179.9	0	0	0	0	112.1	D246 R247 L248	S244-D246 PolarHBondContact O-N 3.03Å; S244-D246 PolarHBondContact OG-N 2.88Å; S244-D246 VanDerWaalsContact OG-N 3.12Å; S244-D246 PolarHBondContact OG-OD2 3.41Å; S244-R247 VanDerWaalsContact CB-CZ 3.43Å; S244-R247 PolarHBondContact O-N 3.24Å; S244-R247 VanDerWaalsContact O-N 3.12Å; S244-L248 WeakPolarHBondContact O-CD2 3.38Å
245	Q	96.3	Very high	98	Very high	105 Å²	105	31.1 Å²	31.1	49%	0.491	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-23.8	168.7	-65.1	-62.4	-39.7	0	0	112.6	R247 L248 Q331	Q245-R247 PolarHBondContact O-N 3.19Å; Q245-L248 WeakPolarHBondContact O-CG 3.39Å; Q245-Q331 VanDerWaalsContact NE2-CG 3.32Å; Q245-Q331 VanDerWaalsContact NE2-NE2 3.11Å
246	D	97.4	Very high	97.9	Very high	140 Å²	140	35.7 Å²	35.7	75%	0.749	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-6.5	176.6	-54.9	-45.4	0	0	0	112.9	S244	S244-D246 PolarHBondContact O-N 3.03Å; S244-D246 PolarHBondContact OG-N 2.88Å; S244-D246 VanDerWaalsContact OG-N 3.12Å; S244-D246 PolarHBondContact OG-OD2 3.41Å
247	R	98.3	Very high	97.8	Very high	73 Å²	73	40.2 Å²	40.2	28%	0.275	22%	0.223	S	C	.	.	S	Bend	trans	-125.8	53.6	-174.2	-63.4	-169.8	-62.2	-89.2	7.9	111.5	Q242 S244 Q245 G321 W322 T323	Q242-R247 PolarHBondContact O-NH2 2.8Å; S244-R247 VanDerWaalsContact CB-CZ 3.43Å; S244-R247 PolarHBondContact O-N 3.24Å; S244-R247 VanDerWaalsContact O-N 3.12Å; Q245-R247 PolarHBondContact O-N 3.19Å; R247-G321 WeakPolarHBondContact CB-O 3.43Å; R247-G321 PolarHBondContact NE-O 2.81Å; R247-W322 HydrophobicContact CB-CD2 3.76Å; R247-W322 HydrophobicContact CB-CE3 4Å; R247-W322 HydrophobicContact CB-CG 4.05Å; R247-W322 HydrophobicContact CB-CZ2 4.39Å; R247-W322 HydrophobicContact CB-CZ3 4.43Å; R247-W322 HydrophobicContact CG-CD2 4.29Å; R247-W322 HydrophobicContact CG-CZ2 4.18Å; R247-W322 WeakPolarHBondContact O-CA 3.46Å; R247-T323 PolarHBondContact O-N 2.86Å
248	L	98.3	Very high	97.7	Very high	57 Å²	57	43.6 Å²	43.6	30%	0.298	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	141.1	-179.3	-58.3	-177.6	0	0	0	112.1	S244 Q245 T323 V325	S244-L248 WeakPolarHBondContact O-CD2 3.38Å; Q245-L248 WeakPolarHBondContact O-CG 3.39Å; L248-T323 WeakPolarHBondContact CA-O 3.36Å; L248-V325 HydrophobicContact CB-CG2 4.2Å; L248-V325 HydrophobicContact CD2-CG1 4Å
249	I	98.6	Very high	97.7	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	98.9	171	-53.2	178.8	0	0	0	107.4	L251 N288 H290 M291 A318 W322 T323 I324 V325	I249-L251 PolarHBondContact O-N 2.96Å; I249-N288 HydrophobicContact CD1-CB 4.3Å; I249-N288 HydrophobicContact CG1-CB 4.24Å; I249-N288 HydrophobicContact CG2-CB 3.83Å; I249-H290 HydrophobicContact CD1-CB 4.46Å; I249-M291 HydrophobicContact CD1-CB 3.72Å; I249-M291 HydrophobicContact CD1-CG 3.94Å; I249-M291 HydrophobicContact CD1-SD 4.11Å; I249-M291 HydrophobicContact CG2-CE 4.09Å; I249-M291 HydrophobicContact CG2-SD 3.91Å; I249-A318 HydrophobicContact CD1-CB 4.47Å; I249-W322 HydrophobicContact CD1-CB 4.44Å; I249-W322 HydrophobicContact CD1-CE3 4.26Å; I249-W322 HydrophobicContact CG1-CE3 3.75Å; I249-W322 HydrophobicContact CG1-CZ3 4.35Å; I249-T323 PolarHBondContact N-O 3.1Å; I249-I324 WeakPolarHBondContact O-CA 3.36Å; I249-V325 PolarHBondContact O-N 2.85Å
250	N	98	Very high	97.7	Very high	57 Å²	57	46.4 Å²	46.4	31%	0.305	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	108.9	-178.9	-173.2	-6.6	0	0	0	111.2	D252 G253 V325 N327	N250-D252 VanDerWaalsContact C-N 3.32Å; N250-D252 PolarHBondContact O-N 3.33Å; N250-D252 WeakPolarHBondContact OD1-CB 3.34Å; N250-D252 PolarHBondContact OD1-N 3.03Å; N250-G253 PolarHBondContact O-N 2.94Å; N250-V325 WeakPolarHBondContact CA-O 3.27Å; N250-V325 HydrophobicContact CB-CG2 4.02Å; N250-V325 PolarHBondContact OD1-O 3.29Å; N250-N327 PolarHBondContact ND2-OD1 3.31Å
251	L	97.8	Very high	97.7	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-66.6	-32.3	-179.5	-62.5	-176.7	0	0	0	112.7	I249 G253 C254 I255 L265 I271 L284 L316 I324 V325 L326	I249-L251 PolarHBondContact O-N 2.96Å; L251-G253 PolarHBondContact O-N 2.97Å; L251-C254 PolarHBondContact O-N 3.29Å; L251-I255 PolarHBondContact O-N 3.35Å; L251-L265 HydrophobicContact CD1-CD1 4.39Å; L251-I271 HydrophobicContact CD1-CD1 4.44Å; L251-L284 HydrophobicContact CD2-CD2 4.21Å; L251-L316 HydrophobicContact CD1-CD1 4.32Å; L251-L316 HydrophobicContact CD2-CD1 3.67Å; L251-I324 HydrophobicContact CD1-CG2 3.61Å; L251-I324 HydrophobicContact CD2-CG2 3.78Å; L251-I324 HydrophobicContact CG-CG2 3.5Å; L251-V325 PolarHBondContact N-O 2.72Å; L251-L326 HydrophobicContact CB-CD2 4.05Å; L251-L326 HydrophobicContact CD1-CD2 4.44Å
252	D	96.6	Very high	97.7	Very high	42 Å²	42	50.9 Å²	50.9	23%	0.225	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-63.5	-25.9	178.8	-65.9	-9.7	0	0	0	111.7	N250 C254 H257 L326 N327	N250-D252 VanDerWaalsContact C-N 3.32Å; N250-D252 PolarHBondContact O-N 3.33Å; N250-D252 WeakPolarHBondContact OD1-CB 3.34Å; N250-D252 PolarHBondContact OD1-N 3.03Å; D252-C254 VanDerWaalsContact C-N 3.31Å; D252-H257 IonicContact OD1-CD2 3.63Å; D252-H257 IonicContact OD1-CE1 3.59Å; D252-H257 IonicContact OD1-NE2 2.86Å; D252-H257 PolarHBondContact OD1-NE2 3.27Å; D252-L326 WeakPolarHBondContact OD1-CD2 3.31Å; D252-N327 VanDerWaalsContact CB-ND2 3.31Å; D252-N327 WeakPolarHBondContact CB-ND2 3.48Å; D252-N327 VanDerWaalsContact OD2-CB 3.24Å; D252-N327 WeakPolarHBondContact OD2-CB 3.25Å; D252-N327 PolarHBondContact OD2-N 2.77Å; D252-N327 PolarHBondContact OD2-ND2 3.39Å
253	G	95.4	Very high	97.6	Very high	67 Å²	67	50.9 Å²	50.9	69%	0.691	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-78.1	-14.2	174.1	0	0	0	0	0	114	N250 L251	N250-G253 PolarHBondContact O-N 2.94Å; L251-G253 PolarHBondContact O-N 2.97Å
254	C	95.8	Very high	97.6	Very high	38 Å²	38	52 Å²	52	26%	0.257	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-37.4	-172.9	-65.8	0	0	0	0	113.3	L251 D252 C287	L251-C254 PolarHBondContact O-N 3.29Å; D252-C254 VanDerWaalsContact C-N 3.31Å; C254-C287 HydrophobicContact CB-CB 3.53Å; C254-C287 WeakPolarHBondContact CB-SG 2.96Å; C254-C287 WeakPolarHBondContact SG-CA 3.45Å; C254-C287 WeakPolarHBondContact SG-CB 3.42Å; C254-C287 CovalentContact SG-SG 2.02Å; C254-C287 PolarHBondContact SG-SG 2.85Å
255	I	97.4	Very high	97.7	Very high	5 Å²	5	52.6 Å²	52.6	3%	0.026	29%	0.29	C	S	.	.	S	Bend	trans	-150.7	136.9	-174.4	-173.6	168.5	0	0	0	111.3	L251 Y259 Y260 V280 K283 L284	L251-I255 PolarHBondContact O-N 3.35Å; I255-Y259 HydrophobicContact CD1-CD1 4.06Å; I255-Y259 HydrophobicContact CD1-CG 4.08Å; I255-Y259 HydrophobicContact CG1-CD1 4.14Å; I255-Y259 HydrophobicContact CG1-CD2 4.5Å; I255-Y259 HydrophobicContact CG1-CG 3.88Å; I255-Y260 HydrophobicContact CD1-CD1 4.29Å; I255-Y260 HydrophobicContact CG1-CD1 4.32Å; I255-Y260 HydrophobicContact CG1-CE1 4.46Å; I255-Y260 HydrophobicContact CG2-CD1 4.24Å; I255-Y260 HydrophobicContact CG2-CE1 3.7Å; I255-V280 HydrophobicContact CD1-CB 4.29Å; I255-V280 HydrophobicContact CD1-CG1 3.79Å; I255-V280 HydrophobicContact CD1-CG2 4.4Å; I255-K283 HydrophobicContact CB-CB 4.43Å; I255-K283 HydrophobicContact CD1-CB 4.12Å; I255-K283 HydrophobicContact CD1-CD 4.11Å; I255-K283 HydrophobicContact CG1-CB 4.44Å; I255-K283 HydrophobicContact CG1-CD 3.98Å; I255-L284 HydrophobicContact CB-CD2 4.48Å; I255-L284 HydrophobicContact CD1-CG 4.33Å; I255-L284 HydrophobicContact CG2-CD2 3.6Å; I255-L284 HydrophobicContact CG2-CG 4.37Å
256	D	97.3	Very high	97.8	Very high	97 Å²	97	48.3 Å²	48.3	52%	0.519	27%	0.271	S	S	.	.			trans	-75.2	146.1	-179.6	-177.6	-88.8	0	0	0	112.3	S258 Y259	D256-S258 PolarHBondContact O-N 3.33Å; D256-S258 VanDerWaalsContact O-N 3.11Å; D256-S258 WeakPolarHBondContact OD1-CB 3.43Å; D256-S258 PolarHBondContact OD1-N 3.26Å; D256-S258 PolarHBondContact OD1-OG 3.43Å; D256-Y259 HydrophobicContact CB-CD2 3.89Å; D256-Y259 HydrophobicContact CB-CE2 4.06Å; D256-Y259 WeakPolarHBondContact O-CB 3.49Å; D256-Y259 WeakPolarHBondContact O-CD2 3.32Å; D256-Y259 PolarHBondContact O-N 2.81Å
257	H	96.4	Very high	97.8	Very high	94 Å²	94	41.7 Å²	41.7	44%	0.435	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-60.5	-20	-179.2	-72.7	175.7	0	0	0	114.9	D252 Y259 K274	D252-H257 IonicContact OD1-CD2 3.63Å; D252-H257 IonicContact OD1-CE1 3.59Å; D252-H257 IonicContact OD1-NE2 2.86Å; D252-H257 PolarHBondContact OD1-NE2 3.27Å; H257-Y259 PolarHBondContact O-N 2.82Å; H257-K274 PolarHBondContact O-NZ 3.14Å; H257-K274 VanDerWaalsContact O-NZ 3.11Å
258	S	97.8	Very high	97.9	Very high	71 Å²	71	38.4 Å²	38.4	50%	0.497	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-65.7	-19.3	173.6	59.1	0	0	0	0	113.1	D256 K274	D256-S258 PolarHBondContact O-N 3.33Å; D256-S258 VanDerWaalsContact O-N 3.11Å; D256-S258 WeakPolarHBondContact OD1-CB 3.43Å; D256-S258 PolarHBondContact OD1-N 3.26Å; D256-S258 PolarHBondContact OD1-OG 3.43Å; S258-K274 WeakPolarHBondContact O-CD 3.15Å
259	Y	98.3	Very high	97.9	Very high	53 Å²	53	35.7 Å²	35.7	21%	0.208	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-83.6	-24.1	-173.6	-75.4	-119	0	0	0	113.2	I255 D256 H257 K274 I275 E279 V280 K283	I255-Y259 HydrophobicContact CD1-CD1 4.06Å; I255-Y259 HydrophobicContact CD1-CG 4.08Å; I255-Y259 HydrophobicContact CG1-CD1 4.14Å; I255-Y259 HydrophobicContact CG1-CD2 4.5Å; I255-Y259 HydrophobicContact CG1-CG 3.88Å; D256-Y259 HydrophobicContact CB-CD2 3.89Å; D256-Y259 HydrophobicContact CB-CE2 4.06Å; D256-Y259 WeakPolarHBondContact O-CB 3.49Å; D256-Y259 WeakPolarHBondContact O-CD2 3.32Å; D256-Y259 PolarHBondContact O-N 2.81Å; H257-Y259 PolarHBondContact O-N 2.82Å; Y259-K274 PolarHBondContact O-N 3.18Å; Y259-I275 HydrophobicContact CD1-CD1 3.18Å; Y259-I275 HydrophobicContact CD1-CG1 3.94Å; Y259-I275 HydrophobicContact CE1-CD1 3.36Å; Y259-I275 HydrophobicContact CG-CD1 3.95Å; Y259-I275 HydrophobicContact CG-CG1 4.39Å; Y259-E279 HydrophobicContact CE1-CG 4.3Å; Y259-E279 WeakPolarHBondContact CE1-OE1 3.44Å; Y259-V280 HydrophobicContact CD1-CG2 4.42Å; Y259-K283 HydrophobicContact CD1-CD 4Å; Y259-K283 HydrophobicContact CE1-CD 3.77Å
260	Y	98.6	Very high	97.9	Very high	7 Å²	7	36.2 Å²	36.2	3%	0.027	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	162.7	-170.6	72.8	-76.3	0	0	0	113.1	I255 L262 I271 L272 K274	I255-Y260 HydrophobicContact CD1-CD1 4.29Å; I255-Y260 HydrophobicContact CG1-CD1 4.32Å; I255-Y260 HydrophobicContact CG1-CE1 4.46Å; I255-Y260 HydrophobicContact CG2-CD1 4.24Å; I255-Y260 HydrophobicContact CG2-CE1 3.7Å; Y260-L262 HydrophobicContact CD2-CB 4.36Å; Y260-L262 HydrophobicContact CE2-CB 3.89Å; Y260-L262 HydrophobicContact CE2-CD1 4.18Å; Y260-I271 HydrophobicContact CD2-CD1 3.73Å; Y260-I271 HydrophobicContact CD2-CG2 3.92Å; Y260-I271 HydrophobicContact CE2-CD1 3.69Å; Y260-I271 HydrophobicContact CG-CG2 4.07Å; Y260-L272 CarbonylContact C-O 3.52Å; Y260-L272 VanDerWaalsContact CA-O 3.31Å; Y260-L272 WeakPolarHBondContact CA-O 3.33Å; Y260-K274 WeakPolarHBondContact O-CE 3.41Å; Y260-K274 PolarHBondContact O-NZ 3.18Å
261	T	98.6	Very high	98	Very high	55 Å²	55	33.5 Å²	33.5	34%	0.337	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	129.4	161.9	-55.2	0	0	0	0	107.4	I263 L272 K274	T261-I263 HydrophobicContact CG2-CD1 3.92Å; T261-L272 PolarHBondContact N-O 3.42Å; T261-L272 PolarHBondContact O-N 3.26Å; T261-K274 WeakPolarHBondContact OG1-CE 3.37Å
262	L	98.6	Very high	98	Very high	50 Å²	50	35.4 Å²	35.4	26%	0.262	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	125.3	173.2	-172.5	65.8	0	0	0	109.3	Y260 D264 L265 A269 I271 L326	Y260-L262 HydrophobicContact CD2-CB 4.36Å; Y260-L262 HydrophobicContact CE2-CB 3.89Å; Y260-L262 HydrophobicContact CE2-CD1 4.18Å; L262-D264 WeakPolarHBondContact CD1-O 3.24Å; L262-L265 HydrophobicContact CD2-CB 4.04Å; L262-L265 HydrophobicContact CD2-CD1 3.71Å; L262-L265 HydrophobicContact CD2-CG 4.36Å; L262-A269 HydrophobicContact CD1-CB 4.34Å; L262-I271 HydrophobicContact CD1-CD1 3.57Å; L262-L326 HydrophobicContact CD2-CD1 3.97Å; L262-L326 HydrophobicContact CD2-CG 4.48Å
263	I	98.6	Very high	98.1	Very high	26 Å²	26	34.6 Å²	34.6	13%	0.133	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	-42.4	179.8	-55.5	-50.1	0	0	0	111.4	Y94 T261 A270 L272 Q312	Y94-I263 HydrophobicContact CD1-CD1 4.14Å; Y94-I263 HydrophobicContact CG-CD1 4.1Å; T261-I263 HydrophobicContact CG2-CD1 3.92Å; I263-A270 HydrophobicContact CB-CB 4.01Å; I263-A270 PolarHBondContact N-O 2.84Å; I263-L272 HydrophobicContact CD1-CB 4.37Å; I263-L272 HydrophobicContact CD1-CD2 4.48Å; I263-L272 HydrophobicContact CG1-CB 4.2Å; I263-Q312 HydrophobicContact CB-CG 4.14Å; I263-Q312 HydrophobicContact CG1-CG 3.85Å; I263-Q312 HydrophobicContact CG2-CG 4.47Å
264	D	98.6	Very high	98.2	Very high	26 Å²	26	37.1 Å²	37.1	14%	0.139	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	152.1	171.6	-167	7.1	0	0	0	108.3	L262 A269 A270	L262-D264 WeakPolarHBondContact CD1-O 3.24Å; D264-A269 CarbonylContact O-C 3.51Å; D264-A269 VanDerWaalsContact O-CA 3.27Å; D264-A269 WeakPolarHBondContact O-CA 3.43Å; D264-A270 HydrophobicContact CB-CB 4.05Å; D264-A270 PolarHBondContact O-N 2.72Å
265	L	98.5	Very high	98.3	Very high	41 Å²	41	38.5 Å²	38.5	22%	0.215	20%	0.203	C	C	.	.			trans	-103.5	-62.3	-166.9	178.5	59.8	0	0	0	114.5	L251 L262 A269 I324 L326	L251-L265 HydrophobicContact CD1-CD1 4.39Å; L262-L265 HydrophobicContact CD2-CB 4.04Å; L262-L265 HydrophobicContact CD2-CD1 3.71Å; L262-L265 HydrophobicContact CD2-CG 4.36Å; L265-A269 VanDerWaalsContact O-CA 3.28Å; L265-A269 WeakPolarHBondContact O-CA 3.48Å; L265-A269 WeakPolarHBondContact O-CB 3.43Å; L265-A269 PolarHBondContact O-N 3.41Å; L265-I324 HydrophobicContact CD1-CB 4.49Å; L265-I324 HydrophobicContact CD1-CG2 4.02Å; L265-L326 HydrophobicContact CD1-CG 4.24Å
266	S	98.6	Very high	98.4	Very high	14 Å²	14	43 Å²	43	10%	0.098	23%	0.227	C	C	.	.	S	Bend	trans	-147.7	145	-163.7	-178.2	0	0	0	0	113	K69 V268 T323 I324	K69-S266 PolarHBondContact NZ-O 2.91Å; S266-V268 VanDerWaalsContact C-N 3.3Å; S266-T323 WeakPolarHBondContact OG-CG2 3.25Å; S266-I324 WeakPolarHBondContact CB-O 3.34Å; S266-I324 PolarHBondContact OG-N 2.83Å
267	P	98.7	Very high	98.4	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.006	22%	0.219	C	C	.	.	S	Bend	cis	-84.4	0.9	-2.3	35.5	-37.4	0	0	0	113.8	A318 H336 G337 Y338	P267-A318 HydrophobicContact CB-CB 4.21Å; P267-A318 WeakPolarHBondContact O-CB 3.1Å; P267-A318 PolarHBondContact O-N 2.68Å; P267-H336 WeakPolarHBondContact CD-O 3.45Å; P267-H336 WeakPolarHBondContact CG-O 3.39Å; P267-G337 VanDerWaalsContact CG-C 3.44Å; P267-Y338 HydrophobicContact CB-CD1 3.54Å; P267-Y338 HydrophobicContact CB-CD2 4.32Å; P267-Y338 HydrophobicContact CB-CE1 3.27Å; P267-Y338 HydrophobicContact CB-CE2 4.07Å; P267-Y338 HydrophobicContact CB-CG 4.08Å; P267-Y338 HydrophobicContact CG-CD1 3.8Å; P267-Y338 HydrophobicContact CG-CD2 3.82Å; P267-Y338 HydrophobicContact CG-CE1 3.86Å; P267-Y338 HydrophobicContact CG-CE2 3.85Å; P267-Y338 HydrophobicContact CG-CG 3.79Å
268	V	98.9	Very high	98.5	Very high	5 Å²	5	42 Å²	42	3%	0.03	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	103.9	172.8	-177.8	0	0	0	0	108.9	F66 I67 S266 I315 L316 V317 G337	F66-V268 HydrophobicContact CE2-CG2 3.85Å; F66-V268 HydrophobicContact CZ-CG1 4.24Å; F66-V268 HydrophobicContact CZ-CG2 3.77Å; I67-V268 HydrophobicContact CB-CG2 4.45Å; I67-V268 HydrophobicContact CG2-CB 3.94Å; I67-V268 HydrophobicContact CG2-CG1 3.9Å; I67-V268 HydrophobicContact CG2-CG2 3.78Å; S266-V268 VanDerWaalsContact C-N 3.3Å; V268-I315 HydrophobicContact CG1-CB 4.35Å; V268-I315 HydrophobicContact CG1-CD1 4.44Å; V268-L316 CarbonylContact C-O 3.53Å; V268-L316 WeakPolarHBondContact CA-O 3.25Å; V268-V317 HydrophobicContact CG1-CG2 4.29Å; V268-V317 HydrophobicContact CG2-CG1 4.31Å; V268-V317 HydrophobicContact CG2-CG2 4.38Å; V268-G337 VanDerWaalsContact CG2-O 3.23Å; V268-G337 WeakPolarHBondContact CG2-O 3.45Å
269	A	98.9	Very high	98.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	130.5	178.3	0	0	0	0	0	110.1	L262 D264 L265 I271 I315 L316 I324	L262-A269 HydrophobicContact CD1-CB 4.34Å; D264-A269 CarbonylContact O-C 3.51Å; D264-A269 VanDerWaalsContact O-CA 3.27Å; D264-A269 WeakPolarHBondContact O-CA 3.43Å; L265-A269 VanDerWaalsContact O-CA 3.28Å; L265-A269 WeakPolarHBondContact O-CA 3.48Å; L265-A269 WeakPolarHBondContact O-CB 3.43Å; L265-A269 PolarHBondContact O-N 3.41Å; A269-I271 HydrophobicContact CB-CD1 4.2Å; A269-I271 HydrophobicContact CB-CG1 4.41Å; A269-I315 CarbonylContact O-C 3.54Å; A269-I315 VanDerWaalsContact O-CA 3.22Å; A269-I315 WeakPolarHBondContact O-CA 3.15Å; A269-L316 HydrophobicContact CB-CB 3.89Å; A269-L316 HydrophobicContact CB-CD1 3.91Å; A269-L316 HydrophobicContact CB-CG 3.98Å; A269-L316 PolarHBondContact N-O 3.47Å; A269-L316 PolarHBondContact O-N 3.05Å; A269-I324 HydrophobicContact CB-CD1 3.88Å; A269-I324 HydrophobicContact CB-CG2 4.43Å
270	A	98.9	Very high	98.5	Very high	12 Å²	12	40.2 Å²	40.2	10%	0.099	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	110.2	175.6	0	0	0	0	0	109.6	I263 D264 Q312	I263-A270 HydrophobicContact CB-CB 4.01Å; I263-A270 PolarHBondContact N-O 2.84Å; D264-A270 HydrophobicContact CB-CB 4.05Å; D264-A270 PolarHBondContact O-N 2.72Å; A270-Q312 HydrophobicContact CB-CB 4.25Å; A270-Q312 HydrophobicContact CB-CG 3.75Å
271	I	98.9	Very high	98.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	120.5	-168.7	-56	-65.7	0	0	0	110.1	L251 Y260 L262 A269 P273 V280 L284 I314 L316	L251-I271 HydrophobicContact CD1-CD1 4.44Å; Y260-I271 HydrophobicContact CD2-CD1 3.73Å; Y260-I271 HydrophobicContact CD2-CG2 3.92Å; Y260-I271 HydrophobicContact CE2-CD1 3.69Å; Y260-I271 HydrophobicContact CG-CG2 4.07Å; L262-I271 HydrophobicContact CD1-CD1 3.57Å; A269-I271 HydrophobicContact CB-CD1 4.2Å; A269-I271 HydrophobicContact CB-CG1 4.41Å; I271-P273 WeakPolarHBondContact O-CD 3.5Å; I271-V280 HydrophobicContact CG2-CG1 4.07Å; I271-L284 HydrophobicContact CG1-CD1 4.23Å; I271-L284 HydrophobicContact CG2-CD1 4.03Å; I271-I314 HydrophobicContact CB-CB 4.09Å; I271-I314 HydrophobicContact CB-CG2 4.35Å; I271-I314 HydrophobicContact CG2-CB 4.48Å; I271-I314 PolarHBondContact N-O 3.13Å; I271-I314 PolarHBondContact O-N 3.32Å; I271-L316 HydrophobicContact CD1-CD1 4.32Å; I271-L316 HydrophobicContact CG1-CD1 4.12Å; I271-L316 HydrophobicContact CG1-CG 4.08Å
272	L	98.8	Very high	98.4	Very high	40 Å²	40	43 Å²	43	21%	0.209	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	105.8	172.4	179.4	58.2	0	0	0	110.2	Y94 Y260 T261 I263 K274 P313	Y94-L272 HydrophobicContact CD1-CD2 3.89Å; Y94-L272 HydrophobicContact CE1-CD2 3.81Å; Y260-L272 CarbonylContact C-O 3.52Å; Y260-L272 VanDerWaalsContact CA-O 3.31Å; Y260-L272 WeakPolarHBondContact CA-O 3.33Å; T261-L272 PolarHBondContact N-O 3.42Å; T261-L272 PolarHBondContact O-N 3.26Å; I263-L272 HydrophobicContact CD1-CB 4.37Å; I263-L272 HydrophobicContact CD1-CD2 4.48Å; I263-L272 HydrophobicContact CG1-CB 4.2Å; L272-K274 PolarHBondContact O-N 2.88Å; L272-P313 HydrophobicContact CD1-CG 4.04Å
273	P	98.6	Very high	98.4	Very high	24 Å²	24	44.6 Å²	44.6	16%	0.156	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	134.8	179.2	-24.7	35.6	0	0	0	112.9	I271 R277 V280 P313 I314	I271-P273 WeakPolarHBondContact O-CD 3.5Å; P273-R277 HydrophobicContact CG-CB 4.2Å; P273-R277 HydrophobicContact CG-CG 4.1Å; P273-V280 HydrophobicContact CB-CB 4.39Å; P273-V280 HydrophobicContact CB-CG2 3.95Å; P273-V280 HydrophobicContact CG-CB 4.42Å; P273-V280 HydrophobicContact CG-CG1 4.41Å; P273-P313 HydrophobicContact CG-CB 4.45Å; P273-I314 HydrophobicContact CG-CD1 4.08Å; P273-I314 HydrophobicContact CG-CG1 4.48Å
274	K	98.4	Very high	98.4	Very high	121 Å²	121	43.4 Å²	43.4	53%	0.526	22%	0.216	S	C	.	.	S	Bend	trans	-91	-21.9	168.8	-68.7	172.5	179.1	157.2	0	112.4	H257 S258 Y259 Y260 T261 L272	H257-K274 PolarHBondContact O-NZ 3.14Å; H257-K274 VanDerWaalsContact O-NZ 3.11Å; S258-K274 WeakPolarHBondContact O-CD 3.15Å; Y259-K274 PolarHBondContact O-N 3.18Å; Y260-K274 WeakPolarHBondContact O-CE 3.41Å; Y260-K274 PolarHBondContact O-NZ 3.18Å; T261-K274 WeakPolarHBondContact OG1-CE 3.37Å; L272-K274 PolarHBondContact O-N 2.88Å
275	I	97.8	Very high	98.2	Very high	66 Å²	66	47.7 Å²	47.7	34%	0.338	23%	0.234	S	C	.	.	S	Bend	trans	-116.7	-164.8	177.8	69.3	159.4	0	0	0	110.4	Y259 R277 E279 V280	Y259-I275 HydrophobicContact CD1-CD1 3.18Å; Y259-I275 HydrophobicContact CD1-CG1 3.94Å; Y259-I275 HydrophobicContact CE1-CD1 3.36Å; Y259-I275 HydrophobicContact CG-CD1 3.95Å; Y259-I275 HydrophobicContact CG-CG1 4.39Å; I275-R277 PolarHBondContact O-N 3.48Å; I275-R277 VanDerWaalsContact O-N 3.12Å; I275-E279 HydrophobicContact CD1-CB 4.15Å; I275-E279 VanDerWaalsContact CD1-CD 3.46Å; I275-E279 HydrophobicContact CD1-CG 4Å; I275-E279 WeakPolarHBondContact CD1-OE2 3.48Å; I275-V280 HydrophobicContact CD1-CG2 4.36Å; I275-V280 HydrophobicContact CG1-CG2 3.7Å
276	N	97.9	Very high	98	Very high	100 Å²	100	52.1 Å²	52.1	54%	0.535	26%	0.257	S	S	.	.			trans	-54.4	119.6	176.5	-168.9	-51.5	0	0	0	111.3	T278 E279 V280	N276-T278 PolarHBondContact O-N 3.4Å; N276-T278 VanDerWaalsContact O-N 3.17Å; N276-T278 VanDerWaalsContact OD1-CB 3.28Å; N276-T278 WeakPolarHBondContact OD1-CB 3.38Å; N276-T278 PolarHBondContact OD1-N 3.21Å; N276-T278 PolarHBondContact OD1-OG1 3.39Å; N276-E279 HydrophobicContact CB-CB 4.31Å; N276-E279 WeakPolarHBondContact O-CB 3.46Å; N276-E279 PolarHBondContact O-N 2.97Å; N276-V280 PolarHBondContact O-N 3.32Å
277	R	98.3	Very high	97.9	Very high	92 Å²	92	52.6 Å²	52.6	35%	0.347	26%	0.261	S	S	.	.	H	α-helix	trans	-52	-39.1	-179.7	-178.8	178.4	72.6	151.1	7.9	113	P273 I275 E279 V280 Y281 L295 E297 I314	P273-R277 HydrophobicContact CG-CB 4.2Å; P273-R277 HydrophobicContact CG-CG 4.1Å; I275-R277 PolarHBondContact O-N 3.48Å; I275-R277 VanDerWaalsContact O-N 3.12Å; R277-E279 VanDerWaalsContact C-N 3.31Å; R277-E279 PolarHBondContact O-N 2.85Å; R277-V280 PolarHBondContact O-N 3.43Å; R277-Y281 WeakPolarHBondContact O-CB 3.18Å; R277-Y281 PolarHBondContact O-N 3.36Å; R277-L295 HydrophobicContact CG-CD2 4.22Å; R277-E297 IonicContact CZ-OE1 2.71Å; R277-E297 VanDerWaalsContact CZ-OE1 3.24Å; R277-E297 IonicContact CZ-OE2 3.02Å; R277-E297 VanDerWaalsContact NH1-CD 3.34Å; R277-E297 IonicContact NH1-OE1 2.86Å; R277-E297 PolarHBondContact NH1-OE1 2.71Å; R277-E297 IonicContact NH1-OE2 3.83Å; R277-E297 PolarHBondContact NH1-OE2 3.02Å; R277-E297 IonicContact NH2-OE1 2.97Å; R277-E297 PolarHBondContact NH2-OE1 3.08Å; R277-I314 HydrophobicContact CG-CD1 4.07Å; R277-I314 HydrophobicContact CG-CG1 4.24Å
278	T	97.5	Very high	97.8	Very high	78 Å²	78	54.7 Å²	54.7	48%	0.479	27%	0.272	S	S	.	.	H	α-helix	trans	-64.9	-37	-179.3	-50.2	0	0	0	0	111.6	N276 N282	N276-T278 PolarHBondContact O-N 3.4Å; N276-T278 VanDerWaalsContact O-N 3.17Å; N276-T278 VanDerWaalsContact OD1-CB 3.28Å; N276-T278 WeakPolarHBondContact OD1-CB 3.38Å; N276-T278 PolarHBondContact OD1-N 3.21Å; N276-T278 PolarHBondContact OD1-OG1 3.39Å; T278-N282 WeakPolarHBondContact O-CB 3.26Å; T278-N282 PolarHBondContact O-N 3.11Å; T278-N282 PolarHBondContact O-ND2 3.32Å
279	E	97.8	Very high	97.7	Very high	86 Å²	86	59.4 Å²	59.4	40%	0.402	31%	0.305	S	S	.	.	H	α-helix	trans	-68.3	-44.9	178	-172.5	176.7	167.6	0	0	111.4	Y259 I275 N276 R277 N282 K283	Y259-E279 HydrophobicContact CE1-CG 4.3Å; Y259-E279 WeakPolarHBondContact CE1-OE1 3.44Å; I275-E279 HydrophobicContact CD1-CB 4.15Å; I275-E279 VanDerWaalsContact CD1-CD 3.46Å; I275-E279 HydrophobicContact CD1-CG 4Å; I275-E279 WeakPolarHBondContact CD1-OE2 3.48Å; N276-E279 HydrophobicContact CB-CB 4.31Å; N276-E279 WeakPolarHBondContact O-CB 3.46Å; N276-E279 PolarHBondContact O-N 2.97Å; R277-E279 VanDerWaalsContact C-N 3.31Å; R277-E279 PolarHBondContact O-N 2.85Å; E279-N282 PolarHBondContact O-N 3.42Å; E279-K283 PolarHBondContact O-N 3.11Å; E279-K283 VanDerWaalsContact O-N 3.14Å
280	V	98.6	Very high	97.7	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-59.9	-48	174.3	178.4	0	0	0	0	110.7	I255 Y259 I271 P273 I275 N276 R277 N282 K283 L284 I314	I255-V280 HydrophobicContact CD1-CB 4.29Å; I255-V280 HydrophobicContact CD1-CG1 3.79Å; I255-V280 HydrophobicContact CD1-CG2 4.4Å; Y259-V280 HydrophobicContact CD1-CG2 4.42Å; I271-V280 HydrophobicContact CG2-CG1 4.07Å; P273-V280 HydrophobicContact CB-CB 4.39Å; P273-V280 HydrophobicContact CB-CG2 3.95Å; P273-V280 HydrophobicContact CG-CB 4.42Å; P273-V280 HydrophobicContact CG-CG1 4.41Å; I275-V280 HydrophobicContact CD1-CG2 4.36Å; I275-V280 HydrophobicContact CG1-CG2 3.7Å; N276-V280 PolarHBondContact O-N 3.32Å; R277-V280 PolarHBondContact O-N 3.43Å; V280-N282 PolarHBondContact O-N 3.49Å; V280-K283 PolarHBondContact O-N 3.34Å; V280-L284 HydrophobicContact CG1-CD1 3.66Å; V280-L284 HydrophobicContact CG1-CG 4.44Å; V280-L284 WeakPolarHBondContact O-CG 3.48Å; V280-L284 PolarHBondContact O-N 2.93Å; V280-I314 HydrophobicContact CB-CD1 4.19Å; V280-I314 HydrophobicContact CG1-CD1 3.9Å
281	Y	98.6	Very high	97.7	Very high	37 Å²	37	62.6 Å²	62.6	15%	0.145	32%	0.318	C	S	.	.	H	α-helix	trans	-58.1	-47	177	175	-98.1	0	0	0	112.3	R277 K283 L284 K285 V293 L295	R277-Y281 WeakPolarHBondContact O-CB 3.18Å; R277-Y281 PolarHBondContact O-N 3.36Å; Y281-K283 VanDerWaalsContact C-N 3.31Å; Y281-K283 PolarHBondContact O-N 3.11Å; Y281-L284 PolarHBondContact O-N 3.01Å; Y281-K285 HydrophobicContact CE1-CB 4.46Å; Y281-K285 HydrophobicContact CE1-CD 3.78Å; Y281-K285 VanDerWaalsContact O-CB 3.27Å; Y281-K285 WeakPolarHBondContact O-CB 3.29Å; Y281-K285 PolarHBondContact O-N 2.89Å; Y281-K285 PolarHBondContact OH-NZ 3.02Å; Y281-V293 HydrophobicContact CD2-CG1 3.85Å; Y281-V293 HydrophobicContact CE2-CG1 3.92Å; Y281-L295 HydrophobicContact CD2-CD2 3.56Å; Y281-L295 HydrophobicContact CD2-CG 3.79Å; Y281-L295 HydrophobicContact CE2-CD2 4.22Å; Y281-L295 HydrophobicContact CE2-CG 3.92Å; Y281-L295 HydrophobicContact CG-CD2 3.85Å; Y281-L295 HydrophobicContact CG-CG 4.3Å
282	N	97.7	Very high	97.7	Very high	83 Å²	83	66.1 Å²	66.1	44%	0.444	34%	0.337	S	S	.	.	H	α-helix	trans	-63.6	-35.2	-179.1	-74.6	-21.1	0	0	0	113	T278 E279 V280 N286	T278-N282 WeakPolarHBondContact O-CB 3.26Å; T278-N282 PolarHBondContact O-N 3.11Å; T278-N282 PolarHBondContact O-ND2 3.32Å; E279-N282 PolarHBondContact O-N 3.42Å; V280-N282 PolarHBondContact O-N 3.49Å; N282-N286 PolarHBondContact O-ND2 3.48Å
283	K	97.5	Very high	97.7	Very high	85 Å²	85	65 Å²	65	37%	0.37	33%	0.331	S	S	.	.	H	α-helix	trans	-68.7	-47.8	173.6	-74.7	-178.9	177	-75	0	111.3	I255 Y259 E279 V280 Y281 N286 C287	I255-K283 HydrophobicContact CB-CB 4.43Å; I255-K283 HydrophobicContact CD1-CB 4.12Å; I255-K283 HydrophobicContact CD1-CD 4.11Å; I255-K283 HydrophobicContact CG1-CB 4.44Å; I255-K283 HydrophobicContact CG1-CD 3.98Å; Y259-K283 HydrophobicContact CD1-CD 4Å; Y259-K283 HydrophobicContact CE1-CD 3.77Å; E279-K283 PolarHBondContact O-N 3.11Å; E279-K283 VanDerWaalsContact O-N 3.14Å; V280-K283 PolarHBondContact O-N 3.34Å; Y281-K283 VanDerWaalsContact C-N 3.31Å; Y281-K283 PolarHBondContact O-N 3.11Å; K283-N286 PolarHBondContact O-N 3.44Å; K283-C287 PolarHBondContact O-N 3.02Å
284	L	98.1	Very high	97.7	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-68	-41.3	-177.1	-71.2	171	0	0	0	112.8	L251 I255 I271 V280 Y281 N286 C287 M291 V293 I314 L316	L251-L284 HydrophobicContact CD2-CD2 4.21Å; I255-L284 HydrophobicContact CB-CD2 4.48Å; I255-L284 HydrophobicContact CD1-CG 4.33Å; I255-L284 HydrophobicContact CG2-CD2 3.6Å; I255-L284 HydrophobicContact CG2-CG 4.37Å; I271-L284 HydrophobicContact CG1-CD1 4.23Å; I271-L284 HydrophobicContact CG2-CD1 4.03Å; V280-L284 HydrophobicContact CG1-CD1 3.66Å; V280-L284 HydrophobicContact CG1-CG 4.44Å; V280-L284 WeakPolarHBondContact O-CG 3.48Å; V280-L284 PolarHBondContact O-N 2.93Å; Y281-L284 PolarHBondContact O-N 3.01Å; L284-N286 PolarHBondContact O-N 3.1Å; L284-N286 VanDerWaalsContact O-N 3.16Å; L284-C287 WeakPolarHBondContact O-CB 3.31Å; L284-C287 PolarHBondContact O-N 3Å; L284-M291 WeakPolarHBondContact O-CE 3.48Å; L284-V293 HydrophobicContact CB-CG1 4.01Å; L284-V293 HydrophobicContact CB-CG2 4.49Å; L284-I314 HydrophobicContact CD1-CG2 4.26Å; L284-L316 HydrophobicContact CB-CD2 4.06Å; L284-L316 HydrophobicContact CD1-CD1 4.44Å; L284-L316 HydrophobicContact CD1-CD2 4.07Å; L284-L316 HydrophobicContact CD2-CD1 3.92Å; L284-L316 HydrophobicContact CD2-CD2 4.5Å; L284-L316 HydrophobicContact CG-CD2 4.44Å
285	K	96.3	Very high	97.7	Very high	116 Å²	116	61.3 Å²	61.3	50%	0.504	31%	0.313	S	S	.	.	H	α-helix	trans	-57.5	-31.8	179.6	-176.6	-178.5	-173.2	164.8	0	113.1	Y281 V293	Y281-K285 HydrophobicContact CE1-CB 4.46Å; Y281-K285 HydrophobicContact CE1-CD 3.78Å; Y281-K285 VanDerWaalsContact O-CB 3.27Å; Y281-K285 WeakPolarHBondContact O-CB 3.29Å; Y281-K285 PolarHBondContact O-N 2.89Å; Y281-K285 PolarHBondContact OH-NZ 3.02Å; K285-V293 HydrophobicContact CB-CB 4.47Å
286	N	93.4	Very high	97.8	Very high	134 Å²	134	60.4 Å²	60.4	72%	0.717	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	6.7	-179.3	-64.2	-56.3	0	0	0	113.2	N282 K283 L284	N282-N286 PolarHBondContact O-ND2 3.48Å; K283-N286 PolarHBondContact O-N 3.44Å; L284-N286 PolarHBondContact O-N 3.1Å; L284-N286 VanDerWaalsContact O-N 3.16Å
287	C	95.9	Very high	97.8	Very high	25 Å²	25	60 Å²	60	17%	0.169	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-48.1	-174.9	173	0	0	0	0	112.7	C254 K283 L284 M291	C254-C287 HydrophobicContact CB-CB 3.53Å; C254-C287 WeakPolarHBondContact CB-SG 2.96Å; C254-C287 WeakPolarHBondContact SG-CA 3.45Å; C254-C287 WeakPolarHBondContact SG-CB 3.42Å; C254-C287 CovalentContact SG-SG 2.02Å; C254-C287 PolarHBondContact SG-SG 2.85Å; K283-C287 PolarHBondContact O-N 3.02Å; L284-C287 WeakPolarHBondContact O-CB 3.31Å; L284-C287 PolarHBondContact O-N 3Å; C287-M291 HydrophobicContact CB-CE 3.48Å; C287-M291 VanDerWaalsContact CB-CE 3.48Å
288	N	97.1	Very high	97.8	Very high	44 Å²	44	59.8 Å²	59.8	24%	0.235	31%	0.307	C	S	.	.			trans	-158.4	140.6	-177.5	-163.5	-62.1	0	0	0	111.2	I249 H290 M291	I249-N288 HydrophobicContact CD1-CB 4.3Å; I249-N288 HydrophobicContact CG1-CB 4.24Å; I249-N288 HydrophobicContact CG2-CB 3.83Å; N288-H290 VanDerWaalsContact C-N 3.27Å; N288-H290 PolarHBondContact O-N 2.86Å; N288-H290 WeakPolarHBondContact OD1-CB 3.37Å; N288-H290 PolarHBondContact OD1-CD2 3.46Å; N288-H290 PolarHBondContact OD1-N 3.4Å; N288-M291 HydrophobicContact CB-CE 4.42Å
289	S	97.4	Very high	97.9	Very high	104 Å²	104	56.2 Å²	56.2	73%	0.727	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-10.4	178.4	52.9	0	0	0	0	114.5	M291	S289-M291 VanDerWaalsContact C-N 3.34Å
290	H	98.4	Very high	97.9	Very high	69 Å²	69	53.7 Å²	53.7	32%	0.319	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	19.9	-179.5	-62	-79.2	0	0	0	113.7	I249 N288 N319 W322	I249-H290 HydrophobicContact CD1-CB 4.46Å; N288-H290 VanDerWaalsContact C-N 3.27Å; N288-H290 PolarHBondContact O-N 2.86Å; N288-H290 WeakPolarHBondContact OD1-CB 3.37Å; N288-H290 PolarHBondContact OD1-CD2 3.46Å; N288-H290 PolarHBondContact OD1-N 3.4Å; H290-N319 WeakPolarHBondContact O-CB 3.45Å; H290-N319 VanDerWaalsContact O-CG 3.28Å; H290-N319 PolarHBondContact O-N 2.9Å; H290-W322 HydrophobicContact CB-CD2 3.42Å; H290-W322 VanDerWaalsContact CB-CD2 3.42Å; H290-W322 VanDerWaalsContact CB-CE2 3.43Å; H290-W322 HydrophobicContact CB-CE3 3.79Å; H290-W322 HydrophobicContact CB-CG 3.88Å; H290-W322 HydrophobicContact CB-CH2 4.13Å; H290-W322 HydrophobicContact CB-CZ2 3.81Å; H290-W322 HydrophobicContact CB-CZ3 4.11Å; H290-W322 AromaticContact CD2-CE2 3.78Å; H290-W322 AromaticContact CD2-CH2 3.26Å; H290-W322 WeakPolarHBondContact CD2-CH2 3.07Å; H290-W322 AromaticContact CD2-CZ2 3.18Å; H290-W322 WeakPolarHBondContact CD2-CZ2 3.37Å; H290-W322 AromaticContact CD2-CZ3 3.93Å; H290-W322 AromaticContact CE1-CZ2 3.61Å; H290-W322 AromaticContact CG-CD2 3.85Å; H290-W322 AromaticContact CG-CE2 3.29Å; H290-W322 AromaticContact CG-CH2 3.67Å; H290-W322 AromaticContact CG-CZ2 3.21Å; H290-W322 AromaticContact CG-NE1 3.74Å; H290-W322 AromaticContact ND1-CE2 3.53Å; H290-W322 AromaticContact ND1-CZ2 3.48Å; H290-W322 WeakPolarHBondContact ND1-CZ2 3.3Å; H290-W322 AromaticContact ND1-NE1 3.57Å; H290-W322 AromaticContact NE2-CH2 3.78Å; H290-W322 AromaticContact NE2-CZ2 3.46Å; H290-W322 WeakPolarHBondContact NE2-CZ2 3.45Å
291	M	98.4	Very high	98	Very high	10 Å²	10	59.7 Å²	59.7	5%	0.049	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	156	165.7	62.5	177.4	179.5	0	0	110	I249 L284 C287 N288 S289 V293 L316 V317	I249-M291 HydrophobicContact CD1-CB 3.72Å; I249-M291 HydrophobicContact CD1-CG 3.94Å; I249-M291 HydrophobicContact CD1-SD 4.11Å; I249-M291 HydrophobicContact CG2-CE 4.09Å; I249-M291 HydrophobicContact CG2-SD 3.91Å; L284-M291 WeakPolarHBondContact O-CE 3.48Å; C287-M291 HydrophobicContact CB-CE 3.48Å; C287-M291 VanDerWaalsContact CB-CE 3.48Å; N288-M291 HydrophobicContact CB-CE 4.42Å; S289-M291 VanDerWaalsContact C-N 3.34Å; M291-V293 HydrophobicContact CE-CG2 4.03Å; M291-V293 HydrophobicContact CG-CG2 4.39Å; M291-V293 HydrophobicContact SD-CG2 4.43Å; M291-L316 HydrophobicContact SD-CB 4.02Å; M291-L316 HydrophobicContact SD-CD1 4.22Å; M291-V317 CarbonylContact C-O 3.53Å; M291-V317 VanDerWaalsContact CA-O 3.25Å; M291-V317 WeakPolarHBondContact CA-O 3.43Å; M291-V317 WeakPolarHBondContact CB-O 3.23Å
292	N	98.8	Very high	98	Very high	75 Å²	75	62.9 Å²	62.9	40%	0.401	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	137	166.2	-65.9	-77.9	0	0	0	109.5	Y294 L316 V317	N292-Y294 HydrophobicContact CB-CD2 4.25Å; N292-Y294 HydrophobicContact CB-CE1 4.21Å; N292-Y294 HydrophobicContact CB-CE2 3.41Å; N292-Y294 VanDerWaalsContact CB-CE2 3.41Å; N292-Y294 VanDerWaalsContact CB-OH 3.3Å; N292-Y294 WeakPolarHBondContact CB-OH 3.22Å; N292-L316 WeakPolarHBondContact O-CA 3.31Å; N292-V317 PolarHBondContact N-O 3.33Å; N292-V317 PolarHBondContact O-N 3.29Å
293	V	98.8	Very high	98	Very high	15 Å²	15	59.1 Å²	59.1	9%	0.091	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	116.4	178.3	-178	0	0	0	0	107.7	Y281 L284 K285 M291 I314 L316	Y281-V293 HydrophobicContact CD2-CG1 3.85Å; Y281-V293 HydrophobicContact CE2-CG1 3.92Å; L284-V293 HydrophobicContact CB-CG1 4.01Å; L284-V293 HydrophobicContact CB-CG2 4.49Å; K285-V293 HydrophobicContact CB-CB 4.47Å; M291-V293 HydrophobicContact CE-CG2 4.03Å; M291-V293 HydrophobicContact CG-CG2 4.39Å; M291-V293 HydrophobicContact SD-CG2 4.43Å; V293-I314 HydrophobicContact CG1-CG2 4.06Å; V293-L316 HydrophobicContact CB-CD2 3.94Å; V293-L316 HydrophobicContact CG1-CD2 3.5Å; V293-L316 VanDerWaalsContact CG1-CD2 3.5Å; V293-L316 HydrophobicContact CG2-CD2 3.61Å
294	Y	98.9	Very high	98.1	Very high	43 Å²	43	60 Å²	60	17%	0.169	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	132	-178.8	-58.9	-69	0	0	0	110	N292 D298 P300 I314 I315 V317	N292-Y294 HydrophobicContact CB-CD2 4.25Å; N292-Y294 HydrophobicContact CB-CE1 4.21Å; N292-Y294 HydrophobicContact CB-CE2 3.41Å; N292-Y294 VanDerWaalsContact CB-CE2 3.41Å; N292-Y294 VanDerWaalsContact CB-OH 3.3Å; N292-Y294 WeakPolarHBondContact CB-OH 3.22Å; Y294-D298 WeakPolarHBondContact CD1-O 3.43Å; Y294-P300 HydrophobicContact CE1-CG 3.98Å; Y294-P300 HydrophobicContact CE2-CG 4.42Å; Y294-I314 WeakPolarHBondContact O-CA 3.23Å; Y294-I315 HydrophobicContact CD2-CG1 4.37Å; Y294-I315 PolarHBondContact N-O 3.18Å; Y294-I315 PolarHBondContact O-N 3.44Å; Y294-V317 HydrophobicContact CD2-CG2 3.99Å; Y294-V317 HydrophobicContact CE2-CB 4.3Å; Y294-V317 HydrophobicContact CE2-CG2 4Å
295	L	98.9	Very high	98.1	Very high	25 Å²	25	60.4 Å²	60.4	13%	0.131	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	150.4	151.7	-61.7	177.9	0	0	0	107.6	R277 Y281 E297 D298 I299 I314	R277-L295 HydrophobicContact CG-CD2 4.22Å; Y281-L295 HydrophobicContact CD2-CD2 3.56Å; Y281-L295 HydrophobicContact CD2-CG 3.79Å; Y281-L295 HydrophobicContact CE2-CD2 4.22Å; Y281-L295 HydrophobicContact CE2-CG 3.92Å; Y281-L295 HydrophobicContact CG-CD2 3.85Å; Y281-L295 HydrophobicContact CG-CG 4.3Å; L295-E297 HydrophobicContact CB-CG 4.12Å; L295-E297 PolarHBondContact O-N 3.41Å; L295-E297 VanDerWaalsContact O-N 3.17Å; L295-D298 HydrophobicContact CB-CB 4.44Å; L295-D298 WeakPolarHBondContact O-CA 3.33Å; L295-D298 PolarHBondContact O-N 3.05Å; L295-I299 PolarHBondContact O-N 3Å; L295-I314 HydrophobicContact CD2-CD1 4.4Å; L295-I314 HydrophobicContact CD2-CG1 4Å
296	K	98.8	Very high	98.2	Very high	47 Å²	47	56.5 Å²	56.5	20%	0.204	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-49.4	-44.4	179.3	-174.7	175.5	-167	-87.7	0	112.4	D298 I299 Q306 N308 I311 P313	K296-D298 PolarHBondContact O-N 2.89Å; K296-I299 WeakPolarHBondContact O-CG1 3.38Å; K296-I299 PolarHBondContact O-N 3.44Å; K296-Q306 WeakPolarHBondContact CE-O 3.48Å; K296-Q306 PolarHBondContact NZ-O 2.95Å; K296-Q306 WeakPolarHBondContact O-CG 3.19Å; K296-Q306 PolarHBondContact O-NE2 3.2Å; K296-N308 WeakPolarHBondContact CE-O 3.34Å; K296-N308 PolarHBondContact NZ-O 3.41Å; K296-I311 HydrophobicContact CD-CG2 4.41Å; K296-I311 WeakPolarHBondContact CD-O 3.34Å; K296-I311 WeakPolarHBondContact CE-O 3.26Å; K296-I311 HydrophobicContact CG-CG2 4.17Å; K296-P313 PolarHBondContact N-O 3.16Å
297	E	98.7	Very high	98.5	Very high	91 Å²	91	56.3 Å²	56.3	43%	0.425	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-67	-16.1	178.3	59	-95.8	-134.5	0	0	115	R277 L295 Q306	R277-E297 IonicContact CZ-OE1 2.71Å; R277-E297 VanDerWaalsContact CZ-OE1 3.24Å; R277-E297 IonicContact CZ-OE2 3.02Å; R277-E297 VanDerWaalsContact NH1-CD 3.34Å; R277-E297 IonicContact NH1-OE1 2.86Å; R277-E297 PolarHBondContact NH1-OE1 2.71Å; R277-E297 IonicContact NH1-OE2 3.83Å; R277-E297 PolarHBondContact NH1-OE2 3.02Å; R277-E297 IonicContact NH2-OE1 2.97Å; R277-E297 PolarHBondContact NH2-OE1 3.08Å; L295-E297 HydrophobicContact CB-CG 4.12Å; L295-E297 PolarHBondContact O-N 3.41Å; L295-E297 VanDerWaalsContact O-N 3.17Å; E297-Q306 VanDerWaalsContact CA-NE2 3.26Å; E297-Q306 PolarHBondContact O-NE2 3.08Å
298	D	98.8	Very high	98.6	Very high	89 Å²	89	55.7 Å²	55.7	48%	0.476	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-106.5	2.9	-178.1	-62.7	-37.4	0	0	0	112.9	Y294 L295 K296	Y294-D298 WeakPolarHBondContact CD1-O 3.43Å; L295-D298 HydrophobicContact CB-CB 4.44Å; L295-D298 WeakPolarHBondContact O-CA 3.33Å; L295-D298 PolarHBondContact O-N 3.05Å; K296-D298 PolarHBondContact O-N 2.89Å
299	I	98.9	Very high	98.7	Very high	3 Å²	3	59.9 Å²	59.9	2%	0.015	30%	0.299	C	S	.	.	S	Bend	trans	-60.3	129.9	176.3	-63.7	171.4	0	0	0	108.9	L295 K296 N301 F303 Y305 I311 I315	L295-I299 PolarHBondContact O-N 3Å; K296-I299 WeakPolarHBondContact O-CG1 3.38Å; K296-I299 PolarHBondContact O-N 3.44Å; I299-N301 PolarHBondContact O-N 2.98Å; I299-F303 HydrophobicContact CG2-CB 4.45Å; I299-F303 HydrophobicContact CG2-CD2 4.08Å; I299-Y305 HydrophobicContact CD1-CD1 4.39Å; I299-Y305 VanDerWaalsContact CD1-O 3.24Å; I299-Y305 WeakPolarHBondContact CD1-O 3.48Å; I299-Y305 WeakPolarHBondContact CG2-O 3.36Å; I299-I311 HydrophobicContact CD1-CG2 3.99Å; I299-I315 HydrophobicContact CD1-CD1 3.53Å; I299-I315 HydrophobicContact CD1-CG1 3.85Å; I299-I315 HydrophobicContact CG1-CD1 3.77Å; I299-I315 HydrophobicContact CG1-CG1 3.98Å; I299-I315 HydrophobicContact CG2-CD1 4.37Å
300	P	98.9	Very high	98.7	Very high	33 Å²	33	55.2 Å²	55.2	21%	0.214	27%	0.265	C	S	.	.			trans	-56.4	125.4	-178.5	-28.2	34.6	0	0	0	113.3	Y294 R302 F303	Y294-P300 HydrophobicContact CE1-CG 3.98Å; Y294-P300 HydrophobicContact CE2-CG 4.42Å; P300-R302 HydrophobicContact CB-CG 4.12Å; P300-R302 PolarHBondContact O-N 2.84Å; P300-F303 HydrophobicContact CB-CD2 3.98Å; P300-F303 HydrophobicContact CB-CE2 4.22Å; P300-F303 HydrophobicContact CG-CD2 4.06Å; P300-F303 HydrophobicContact CG-CE2 3.95Å; P300-F303 WeakPolarHBondContact O-CB 3.44Å; P300-F303 PolarHBondContact O-N 3.38Å
301	N	98.8	Very high	98.8	Very high	125 Å²	125	52.1 Å²	52.1	67%	0.668	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-51.9	-29.8	-179	-67.1	-9.7	0	0	0	114.3	I299 F303 Y304	I299-N301 PolarHBondContact O-N 2.98Å; N301-F303 PolarHBondContact O-N 2.95Å; N301-F303 VanDerWaalsContact O-N 3.14Å; N301-Y304 PolarHBondContact O-N 3.23Å
302	R	98.7	Very high	98.8	Very high	105 Å²	105	52 Å²	52	40%	0.396	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-62.3	-17.3	177.8	70.5	177.1	178.7	89.2	-1.7	114.2	P300 D339 S341	P300-R302 HydrophobicContact CB-CG 4.12Å; P300-R302 PolarHBondContact O-N 2.84Å; R302-D339 IonicContact CZ-OD1 3.82Å; R302-D339 IonicContact CZ-OD2 3.49Å; R302-D339 VanDerWaalsContact CZ-OD2 3.26Å; R302-D339 VanDerWaalsContact NH1-CG 3.27Å; R302-D339 IonicContact NH1-OD1 3.34Å; R302-D339 PolarHBondContact NH1-OD1 3.25Å; R302-D339 IonicContact NH1-OD2 3.42Å; R302-D339 PolarHBondContact NH1-OD2 2.88Å; R302-D339 IonicContact NH2-OD1 3.88Å; R302-D339 IonicContact NH2-OD2 3.32Å; R302-D339 PolarHBondContact NH2-OD2 2.92Å; R302-S341 PolarHBondContact NH1-OG 3.34Å
303	F	98.9	Very high	98.8	Very high	4 Å²	4	50.2 Å²	50.2	2%	0.018	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-82.5	-20.2	176.4	-70.9	-39.2	0	0	0	112.9	F66 I299 P300 N301 Y305 D339	F66-F303 HydrophobicContact CB-CB 4.11Å; F66-F303 HydrophobicContact CB-CD1 3.59Å; F66-F303 HydrophobicContact CB-CE1 4.26Å; F66-F303 HydrophobicContact CB-CG 4.1Å; F66-F303 HydrophobicContact CD1-CB 3.71Å; F66-F303 AromaticContact CD1-CD1 3.96Å; F66-F303 HydrophobicContact CD1-CD1 3.96Å; F66-F303 HydrophobicContact CD1-CD2 4.11Å; F66-F303 AromaticContact CD1-CG 3.7Å; F66-F303 HydrophobicContact CD1-CG 3.7Å; F66-F303 AromaticContact CD2-CD1 3.87Å; F66-F303 HydrophobicContact CD2-CD1 3.87Å; F66-F303 AromaticContact CD2-CE1 3.78Å; F66-F303 HydrophobicContact CD2-CE1 3.78Å; F66-F303 HydrophobicContact CD2-CG 4.37Å; F66-F303 HydrophobicContact CD2-CZ 4.22Å; F66-F303 HydrophobicContact CE1-CB 4.4Å; F66-F303 HydrophobicContact CE1-CD2 4.09Å; F66-F303 HydrophobicContact CE1-CE2 4.49Å; F66-F303 HydrophobicContact CE1-CG 4.16Å; F66-F303 HydrophobicContact CE2-CE1 4.23Å; F66-F303 HydrophobicContact CE2-CE2 4.46Å; F66-F303 HydrophobicContact CE2-CZ 4.2Å; F66-F303 HydrophobicContact CG-CB 4.07Å; F66-F303 AromaticContact CG-CD1 3.52Å; F66-F303 HydrophobicContact CG-CD1 3.52Å; F66-F303 HydrophobicContact CG-CD2 4.42Å; F66-F303 AromaticContact CG-CE1 3.95Å; F66-F303 HydrophobicContact CG-CE1 3.95Å; F66-F303 AromaticContact CG-CG 3.79Å; F66-F303 HydrophobicContact CG-CG 3.79Å; F66-F303 HydrophobicContact CZ-CD2 4.4Å; F66-F303 HydrophobicContact CZ-CE2 4.34Å; I299-F303 HydrophobicContact CG2-CB 4.45Å; I299-F303 HydrophobicContact CG2-CD2 4.08Å; P300-F303 HydrophobicContact CB-CD2 3.98Å; P300-F303 HydrophobicContact CB-CE2 4.22Å; P300-F303 HydrophobicContact CG-CD2 4.06Å; P300-F303 HydrophobicContact CG-CE2 3.95Å; P300-F303 WeakPolarHBondContact O-CB 3.44Å; P300-F303 PolarHBondContact O-N 3.38Å; N301-F303 PolarHBondContact O-N 2.95Å; N301-F303 VanDerWaalsContact O-N 3.14Å; F303-Y305 PolarHBondContact O-N 3.26Å; F303-D339 HydrophobicContact CE1-CB 4.23Å; F303-D339 WeakPolarHBondContact CE1-OD1 3.46Å; F303-D339 HydrophobicContact CZ-CB 4.32Å
304	Y	98.8	Very high	98.8	Very high	102 Å²	102	49.5 Å²	49.5	40%	0.4	24%	0.238	S	C	.	.			trans	50	46.9	-173.3	-53.9	-79.5	0	0	0	111.6	Y82 E84 N301	Y82-Y304 AromaticContact CD1-CD2 3.81Å; Y82-Y304 HydrophobicContact CD1-CD2 3.81Å; Y82-Y304 AromaticContact CD1-CG 4Å; Y82-Y304 HydrophobicContact CD1-CG 4Å; Y82-Y304 AromaticContact CD2-CD1 3.76Å; Y82-Y304 HydrophobicContact CD2-CD1 3.76Å; Y82-Y304 AromaticContact CD2-CD2 3.95Å; Y82-Y304 HydrophobicContact CD2-CD2 3.95Å; Y82-Y304 HydrophobicContact CD2-CE1 4.38Å; Y82-Y304 AromaticContact CD2-CG 3.5Å; Y82-Y304 HydrophobicContact CD2-CG 3.5Å; Y82-Y304 AromaticContact CE1-CD2 3.49Å; Y82-Y304 HydrophobicContact CE1-CD2 3.49Å; Y82-Y304 VanDerWaalsContact CE1-CD2 3.49Å; Y82-Y304 AromaticContact CE1-CE2 3.9Å; Y82-Y304 HydrophobicContact CE1-CE2 3.9Å; Y82-Y304 HydrophobicContact CE1-CG 4.05Å; Y82-Y304 AromaticContact CE2-CD1 3.66Å; Y82-Y304 HydrophobicContact CE2-CD1 3.66Å; Y82-Y304 AromaticContact CE2-CD2 3.61Å; Y82-Y304 HydrophobicContact CE2-CD2 3.61Å; Y82-Y304 AromaticContact CE2-CE1 3.82Å; Y82-Y304 HydrophobicContact CE2-CE1 3.82Å; Y82-Y304 AromaticContact CE2-CE2 3.78Å; Y82-Y304 HydrophobicContact CE2-CE2 3.78Å; Y82-Y304 AromaticContact CE2-CG 3.54Å; Y82-Y304 HydrophobicContact CE2-CG 3.54Å; Y82-Y304 AromaticContact CE2-CZ 3.87Å; Y82-Y304 VanDerWaalsContact CG-CB 3.45Å; Y82-Y304 HydrophobicContact CG-CD1 4.44Å; Y82-Y304 HydrophobicContact CG-CD2 4.05Å; Y82-Y304 AromaticContact CG-CG 3.75Å; Y82-Y304 HydrophobicContact CG-CG 3.75Å; Y82-Y304 AromaticContact CZ-CD2 3.37Å; Y82-Y304 AromaticContact CZ-CE2 3.41Å; Y82-Y304 VanDerWaalsContact CZ-CE2 3.41Å; Y82-Y304 AromaticContact CZ-CG 3.83Å; Y82-Y304 AromaticContact CZ-CZ 3.89Å; Y82-Y304 WeakPolarHBondContact OH-CE2 3Å; E84-Y304 WeakPolarHBondContact CB-O 3.24Å; E84-Y304 VanDerWaalsContact CD-O 3.23Å; E84-Y304 WeakPolarHBondContact CG-O 3.42Å; N301-Y304 PolarHBondContact O-N 3.23Å
305	Y	98.9	Very high	98.8	Very high	10 Å²	10	47.6 Å²	47.6	4%	0.039	23%	0.231	C	C	.	.			trans	-137.4	52.7	-169.7	-161.7	-95.7	0	0	0	110.8	F66 I67 E83 E84 V89 I299 F303 I311 I315	F66-Y305 HydrophobicContact CD1-CD1 4.18Å; F66-Y305 HydrophobicContact CD1-CD2 4.15Å; F66-Y305 AromaticContact CD1-CG 3.81Å; F66-Y305 HydrophobicContact CD1-CG 3.81Å; F66-Y305 AromaticContact CE1-CD1 3.89Å; F66-Y305 HydrophobicContact CE1-CD1 3.89Å; F66-Y305 HydrophobicContact CE1-CE1 4.38Å; F66-Y305 HydrophobicContact CE1-CG 4.01Å; F66-Y305 VanDerWaalsContact O-CD2 3.25Å; F66-Y305 WeakPolarHBondContact O-CD2 3.34Å; I67-Y305 HydrophobicContact CG2-CE1 4.41Å; I67-Y305 HydrophobicContact CG2-CE2 4.18Å; E83-Y305 HydrophobicContact CB-CD2 4.05Å; E83-Y305 HydrophobicContact CB-CE2 4.19Å; E83-Y305 VanDerWaalsContact OE2-CE2 3.27Å; E83-Y305 WeakPolarHBondContact OE2-CE2 3.38Å; E84-Y305 PolarHBondContact OE2-N 2.96Å; V89-Y305 HydrophobicContact CB-CE2 3.65Å; V89-Y305 HydrophobicContact CG1-CE2 4.15Å; V89-Y305 WeakPolarHBondContact O-CE2 3.29Å; V89-Y305 PolarHBondContact O-OH 3.38Å; I299-Y305 HydrophobicContact CD1-CD1 4.39Å; I299-Y305 VanDerWaalsContact CD1-O 3.24Å; I299-Y305 WeakPolarHBondContact CD1-O 3.48Å; I299-Y305 WeakPolarHBondContact CG2-O 3.36Å; F303-Y305 PolarHBondContact O-N 3.26Å; Y305-I311 VanDerWaalsContact C-CD1 3.47Å; Y305-I311 HydrophobicContact CD1-CD1 3.96Å; Y305-I311 HydrophobicContact CD1-CG1 4.2Å; Y305-I311 HydrophobicContact CD1-CG2 4.18Å; Y305-I311 HydrophobicContact CD2-CD1 4.28Å; Y305-I311 HydrophobicContact CE1-CD1 4.14Å; Y305-I311 HydrophobicContact CE1-CG1 3.87Å; Y305-I311 HydrophobicContact CE1-CG2 3.95Å; Y305-I311 HydrophobicContact CE2-CD1 4.46Å; Y305-I311 HydrophobicContact CE2-CG1 4.45Å; Y305-I311 HydrophobicContact CG-CD1 4.03Å; Y305-I315 HydrophobicContact CD1-CD1 4.29Å; Y305-I315 HydrophobicContact CE1-CD1 4.43Å
306	Q	98.6	Very high	98.8	Very high	33 Å²	33	46.4 Å²	46.4	15%	0.154	23%	0.225	C	C	.	.	S	Bend	trans	-134	-37.8	-178.3	179.5	171.5	85.6	0	0	113.1	E84 K296 E297 N308	E84-Q306 PolarHBondContact OE2-N 2.98Å; K296-Q306 WeakPolarHBondContact CE-O 3.48Å; K296-Q306 PolarHBondContact NZ-O 2.95Å; K296-Q306 WeakPolarHBondContact O-CG 3.19Å; K296-Q306 PolarHBondContact O-NE2 3.2Å; E297-Q306 VanDerWaalsContact CA-NE2 3.26Å; E297-Q306 PolarHBondContact O-NE2 3.08Å; Q306-N308 VanDerWaalsContact C-N 3.34Å; Q306-N308 PolarHBondContact O-N 2.93Å
307	H	98.7	Very high	98.8	Very high	131 Å²	131	44.5 Å²	44.5	61%	0.606	22%	0.217	S	C	*	.	S	Bend	trans	-93.5	47.8	-166.4	-57.7	-59.7	0	0	0	113.9	E84	E84-H307 HydrophobicContact CG-CB 4.45Å; E84-H307 IonicContact OE1-CD2 3.54Å; E84-H307 IonicContact OE2-CD2 3.37Å; E84-H307 PolarHBondContact OE2-CD2 2.93Å; E84-H307 IonicContact OE2-CG 3.7Å; E84-H307 PolarHBondContact OE2-N 3.5Å
308	N	98.8	Very high	98.8	Very high	11 Å²	11	40.3 Å²	40.3	6%	0.059	20%	0.198	C	C	.	.			trans	-139.9	146.7	171.5	-159.7	-77.3	0	0	0	110.8	E84 V89 E115 K296 Q306 R310 I311	E84-N308 HydrophobicContact CB-CB 4.32Å; E84-N308 WeakPolarHBondContact O-CB 3.43Å; E84-N308 PolarHBondContact O-ND2 3.38Å; V89-N308 HydrophobicContact CG1-CB 4.41Å; E115-N308 PolarHBondContact OE2-ND2 3.46Å; K296-N308 WeakPolarHBondContact CE-O 3.34Å; K296-N308 PolarHBondContact NZ-O 3.41Å; Q306-N308 VanDerWaalsContact C-N 3.34Å; Q306-N308 PolarHBondContact O-N 2.93Å; N308-R310 VanDerWaalsContact C-N 3.28Å; N308-R310 PolarHBondContact O-N 3.22Å; N308-R310 VanDerWaalsContact OD1-CB 3.3Å; N308-R310 WeakPolarHBondContact OD1-CB 3.45Å; N308-R310 WeakPolarHBondContact OD1-CD 3.42Å; N308-R310 VanDerWaalsContact OD1-CG 3.28Å; N308-R310 WeakPolarHBondContact OD1-CG 3.32Å; N308-R310 PolarHBondContact OD1-N 2.89Å; N308-I311 HydrophobicContact CB-CD1 3.91Å; N308-I311 HydrophobicContact CB-CG1 4.23Å; N308-I311 PolarHBondContact O-N 3.26Å
309	D	98.6	Very high	98.8	Very high	132 Å²	132	39 Å²	39	71%	0.706	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-18.6	-179.1	-72.1	-19.4	0	0	0	112.9	I311	D309-I311 VanDerWaalsContact C-N 3.28Å; D309-I311 PolarHBondContact O-N 3.31Å
310	R	98.8	Very high	98.8	Very high	6 Å²	6	42.6 Å²	42.6	2%	0.023	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-18.2	177.1	-58.7	165.4	-173.1	-165.8	-0.2	112.6	G87 V89 F111 W112 E115 N308 Q312	G87-R310 WeakPolarHBondContact O-CD 3.5Å; G87-R310 PolarHBondContact O-NH1 3.4Å; V89-R310 HydrophobicContact CG2-CB 3.76Å; F111-R310 PolarHBondContact O-NH2 2.89Å; W112-R310 HydrophobicContact CZ3-CG 4.17Å; W112-R310 PolarHBondContact O-NH1 3.28Å; E115-R310 IonicContact OE1-CZ 3.11Å; E115-R310 IonicContact OE1-NE 2.68Å; E115-R310 PolarHBondContact OE1-NE 3.23Å; E115-R310 VanDerWaalsContact OE1-NE 3.11Å; E115-R310 IonicContact OE1-NH1 2.72Å; E115-R310 IonicContact OE1-NH2 3.93Å; E115-R310 PolarHBondContact OE1-NH2 3.21Å; N308-R310 VanDerWaalsContact C-N 3.28Å; N308-R310 PolarHBondContact O-N 3.22Å; N308-R310 VanDerWaalsContact OD1-CB 3.3Å; N308-R310 WeakPolarHBondContact OD1-CB 3.45Å; N308-R310 WeakPolarHBondContact OD1-CD 3.42Å; N308-R310 VanDerWaalsContact OD1-CG 3.28Å; N308-R310 WeakPolarHBondContact OD1-CG 3.32Å; N308-R310 PolarHBondContact OD1-N 2.89Å; R310-Q312 PolarHBondContact O-NE2 3.39Å
311	I	98.9	Very high	98.8	Very high	5 Å²	5	41.2 Å²	41.2	3%	0.026	20%	0.199	C	C	.	.	S	Bend	trans	-76.8	122.4	174.5	-63.2	164.9	0	0	0	108.6	E84 V89 K296 I299 Y305 N308 D309	E84-I311 HydrophobicContact CB-CD1 4.3Å; V89-I311 HydrophobicContact CB-CG1 4.13Å; V89-I311 HydrophobicContact CG1-CD1 4.2Å; V89-I311 HydrophobicContact CG1-CG1 3.95Å; V89-I311 HydrophobicContact CG2-CG1 4.12Å; K296-I311 HydrophobicContact CD-CG2 4.41Å; K296-I311 WeakPolarHBondContact CD-O 3.34Å; K296-I311 WeakPolarHBondContact CE-O 3.26Å; K296-I311 HydrophobicContact CG-CG2 4.17Å; I299-I311 HydrophobicContact CD1-CG2 3.99Å; Y305-I311 VanDerWaalsContact C-CD1 3.47Å; Y305-I311 HydrophobicContact CD1-CD1 3.96Å; Y305-I311 HydrophobicContact CD1-CG1 4.2Å; Y305-I311 HydrophobicContact CD1-CG2 4.18Å; Y305-I311 HydrophobicContact CD2-CD1 4.28Å; Y305-I311 HydrophobicContact CE1-CD1 4.14Å; Y305-I311 HydrophobicContact CE1-CG1 3.87Å; Y305-I311 HydrophobicContact CE1-CG2 3.95Å; Y305-I311 HydrophobicContact CE2-CD1 4.46Å; Y305-I311 HydrophobicContact CE2-CG1 4.45Å; Y305-I311 HydrophobicContact CG-CD1 4.03Å; N308-I311 HydrophobicContact CB-CD1 3.91Å; N308-I311 HydrophobicContact CB-CG1 4.23Å; N308-I311 PolarHBondContact O-N 3.26Å; D309-I311 VanDerWaalsContact C-N 3.28Å; D309-I311 PolarHBondContact O-N 3.31Å
312	Q	98.8	Very high	98.8	Very high	8 Å²	8	37.1 Å²	37.1	4%	0.037	18%	0.175	C	C	.	.			trans	-71.3	160.3	-170.9	-59.7	-55.6	-51.3	0	0	112.9	Y94 I263 A270 R310 I314	Y94-Q312 PolarHBondContact O-NE2 3.4Å; Y94-Q312 VanDerWaalsContact O-NE2 3.09Å; I263-Q312 HydrophobicContact CB-CG 4.14Å; I263-Q312 HydrophobicContact CG1-CG 3.85Å; I263-Q312 HydrophobicContact CG2-CG 4.47Å; A270-Q312 HydrophobicContact CB-CB 4.25Å; A270-Q312 HydrophobicContact CB-CG 3.75Å; R310-Q312 PolarHBondContact O-NE2 3.39Å; Q312-I314 PolarHBondContact O-N 2.97Å; Q312-I314 VanDerWaalsContact O-N 3.1Å
313	P	98.8	Very high	98.8	Very high	37 Å²	37	33 Å²	33	24%	0.24	16%	0.161	C	C	.	.	S	Bend	trans	-58.7	-26.1	-176.5	-27.4	36.4	0	0	0	115.1	L272 P273 K296	L272-P313 HydrophobicContact CD1-CG 4.04Å; P273-P313 HydrophobicContact CG-CB 4.45Å; K296-P313 PolarHBondContact N-O 3.16Å
314	I	98.9	Very high	98.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	135.6	175.8	-59.5	177.4	0	0	0	108.4	I271 P273 R277 V280 L284 V293 Y294 L295 Q312 L316	I271-I314 HydrophobicContact CB-CB 4.09Å; I271-I314 HydrophobicContact CB-CG2 4.35Å; I271-I314 HydrophobicContact CG2-CB 4.48Å; I271-I314 PolarHBondContact N-O 3.13Å; I271-I314 PolarHBondContact O-N 3.32Å; P273-I314 HydrophobicContact CG-CD1 4.08Å; P273-I314 HydrophobicContact CG-CG1 4.48Å; R277-I314 HydrophobicContact CG-CD1 4.07Å; R277-I314 HydrophobicContact CG-CG1 4.24Å; V280-I314 HydrophobicContact CB-CD1 4.19Å; V280-I314 HydrophobicContact CG1-CD1 3.9Å; L284-I314 HydrophobicContact CD1-CG2 4.26Å; V293-I314 HydrophobicContact CG1-CG2 4.06Å; Y294-I314 WeakPolarHBondContact O-CA 3.23Å; L295-I314 HydrophobicContact CD2-CD1 4.4Å; L295-I314 HydrophobicContact CD2-CG1 4Å; Q312-I314 PolarHBondContact O-N 2.97Å; Q312-I314 VanDerWaalsContact O-N 3.1Å; I314-L316 HydrophobicContact CG2-CD2 4.1Å
315	I	98.9	Very high	98.8	Very high	2 Å²	2	29 Å²	29	1%	0.01	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	147	166.4	66.6	166.8	0	0	0	111.1	F66 V268 A269 Y294 I299 Y305 V317	F66-I315 HydrophobicContact CE1-CD1 4.35Å; V268-I315 HydrophobicContact CG1-CB 4.35Å; V268-I315 HydrophobicContact CG1-CD1 4.44Å; A269-I315 CarbonylContact O-C 3.54Å; A269-I315 VanDerWaalsContact O-CA 3.22Å; A269-I315 WeakPolarHBondContact O-CA 3.15Å; Y294-I315 HydrophobicContact CD2-CG1 4.37Å; Y294-I315 PolarHBondContact N-O 3.18Å; Y294-I315 PolarHBondContact O-N 3.44Å; I299-I315 HydrophobicContact CD1-CD1 3.53Å; I299-I315 HydrophobicContact CD1-CG1 3.85Å; I299-I315 HydrophobicContact CG1-CD1 3.77Å; I299-I315 HydrophobicContact CG1-CG1 3.98Å; I299-I315 HydrophobicContact CG2-CD1 4.37Å; Y305-I315 HydrophobicContact CD1-CD1 4.29Å; Y305-I315 HydrophobicContact CE1-CD1 4.43Å; I315-V317 HydrophobicContact CD1-CG2 3.94Å; I315-V317 HydrophobicContact CG1-CG2 4.35Å
316	L	98.9	Very high	98.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	120.7	174	-44.3	178.1	0	0	0	108	L251 V268 A269 I271 L284 M291 N292 V293 I314 I324	L251-L316 HydrophobicContact CD1-CD1 4.32Å; L251-L316 HydrophobicContact CD2-CD1 3.67Å; V268-L316 CarbonylContact C-O 3.53Å; V268-L316 WeakPolarHBondContact CA-O 3.25Å; A269-L316 HydrophobicContact CB-CB 3.89Å; A269-L316 HydrophobicContact CB-CD1 3.91Å; A269-L316 HydrophobicContact CB-CG 3.98Å; A269-L316 PolarHBondContact N-O 3.47Å; A269-L316 PolarHBondContact O-N 3.05Å; I271-L316 HydrophobicContact CD1-CD1 4.32Å; I271-L316 HydrophobicContact CG1-CD1 4.12Å; I271-L316 HydrophobicContact CG1-CG 4.08Å; L284-L316 HydrophobicContact CB-CD2 4.06Å; L284-L316 HydrophobicContact CD1-CD1 4.44Å; L284-L316 HydrophobicContact CD1-CD2 4.07Å; L284-L316 HydrophobicContact CD2-CD1 3.92Å; L284-L316 HydrophobicContact CD2-CD2 4.5Å; L284-L316 HydrophobicContact CG-CD2 4.44Å; M291-L316 HydrophobicContact SD-CB 4.02Å; M291-L316 HydrophobicContact SD-CD1 4.22Å; N292-L316 WeakPolarHBondContact O-CA 3.31Å; V293-L316 HydrophobicContact CB-CD2 3.94Å; V293-L316 HydrophobicContact CG1-CD2 3.5Å; V293-L316 VanDerWaalsContact CG1-CD2 3.5Å; V293-L316 HydrophobicContact CG2-CD2 3.61Å; I314-L316 HydrophobicContact CG2-CD2 4.1Å; L316-I324 HydrophobicContact CB-CD1 3.88Å
317	V	98.9	Very high	98.4	Very high	7 Å²	7	34.5 Å²	34.5	4%	0.042	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	105.4	-178.8	-175.8	0	0	0	0	108.2	F66 V268 M291 N292 Y294 I315	F66-V317 HydrophobicContact CE2-CG1 4.07Å; F66-V317 HydrophobicContact CE2-CG2 4.48Å; F66-V317 HydrophobicContact CZ-CG1 4.2Å; F66-V317 HydrophobicContact CZ-CG2 3.79Å; V268-V317 HydrophobicContact CG1-CG2 4.29Å; V268-V317 HydrophobicContact CG2-CG1 4.31Å; V268-V317 HydrophobicContact CG2-CG2 4.38Å; M291-V317 CarbonylContact C-O 3.53Å; M291-V317 VanDerWaalsContact CA-O 3.25Å; M291-V317 WeakPolarHBondContact CA-O 3.43Å; M291-V317 WeakPolarHBondContact CB-O 3.23Å; N292-V317 PolarHBondContact N-O 3.33Å; N292-V317 PolarHBondContact O-N 3.29Å; Y294-V317 HydrophobicContact CD2-CG2 3.99Å; Y294-V317 HydrophobicContact CE2-CB 4.3Å; Y294-V317 HydrophobicContact CE2-CG2 4Å; I315-V317 HydrophobicContact CD1-CG2 3.94Å; I315-V317 HydrophobicContact CG1-CG2 4.35Å
318	A	98.9	Very high	98.1	Very high	4 Å²	4	37.9 Å²	37.9	3%	0.033	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	147.1	176.3	0	0	0	0	0	111.4	I249 P267 W322 I324 Y338	I249-A318 HydrophobicContact CD1-CB 4.47Å; P267-A318 HydrophobicContact CB-CB 4.21Å; P267-A318 WeakPolarHBondContact O-CB 3.1Å; P267-A318 PolarHBondContact O-N 2.68Å; A318-W322 HydrophobicContact CB-CB 4.12Å; A318-W322 WeakPolarHBondContact CB-O 3.43Å; A318-I324 HydrophobicContact CB-CD1 4.23Å; A318-I324 HydrophobicContact CB-CG1 4.01Å; A318-Y338 HydrophobicContact CB-CE1 4.38Å
319	N	98.8	Very high	97.8	Very high	60 Å²	60	39.5 Å²	39.5	32%	0.321	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-64.7	158.2	168.9	-69.3	-4.3	0	0	0	110	H290 G321 W322 Y338	H290-N319 WeakPolarHBondContact O-CB 3.45Å; H290-N319 VanDerWaalsContact O-CG 3.28Å; H290-N319 PolarHBondContact O-N 2.9Å; N319-G321 PolarHBondContact O-N 3.35Å; N319-W322 WeakPolarHBondContact O-CB 3.45Å; N319-W322 PolarHBondContact O-N 3.12Å; N319-Y338 VanDerWaalsContact O-CE1 3.26Å; N319-Y338 WeakPolarHBondContact O-CE1 3.39Å
320	E	98.8	Very high	97.4	Very high	80 Å²	80	38.7 Å²	38.7	37%	0.374	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	129.3	-179.4	-169.3	179.8	-166.6	0	0	112.6	T241 W322 L342 S344	T241-E320 HydrophobicContact CG2-CG 3.93Å; T241-E320 PolarHBondContact OG1-OE1 3.05Å; E320-W322 PolarHBondContact O-N 2.88Å; E320-L342 HydrophobicContact CB-CD1 3.75Å; E320-L342 HydrophobicContact CB-CD2 4.37Å; E320-L342 HydrophobicContact CG-CD1 3.93Å; E320-S344 WeakPolarHBondContact OE1-CB 3.47Å; E320-S344 PolarHBondContact OE1-OG 2.84Å
321	G	98.4	Very high	97.1	Very high	3 Å²	3	44.3 Å²	44.3	3%	0.031	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	2.9	177.9	0	0	0	0	0	115.4	Q242 R247 N319	Q242-G321 VanDerWaalsContact O-CA 3.29Å; Q242-G321 WeakPolarHBondContact O-CA 3.22Å; R247-G321 WeakPolarHBondContact CB-O 3.43Å; R247-G321 PolarHBondContact NE-O 2.81Å; N319-G321 PolarHBondContact O-N 3.35Å
322	W	98.8	Very high	96.9	Very high	40 Å²	40	47.6 Å²	47.6	15%	0.152	25%	0.249	C	C	.	.			trans	-93	139.1	170.1	-74.3	76.3	0	0	0	111.4	R247 I249 H290 A318 N319 E320 Y338	R247-W322 HydrophobicContact CB-CD2 3.76Å; R247-W322 HydrophobicContact CB-CE3 4Å; R247-W322 HydrophobicContact CB-CG 4.05Å; R247-W322 HydrophobicContact CB-CZ2 4.39Å; R247-W322 HydrophobicContact CB-CZ3 4.43Å; R247-W322 HydrophobicContact CG-CD2 4.29Å; R247-W322 HydrophobicContact CG-CZ2 4.18Å; R247-W322 WeakPolarHBondContact O-CA 3.46Å; I249-W322 HydrophobicContact CD1-CB 4.44Å; I249-W322 HydrophobicContact CD1-CE3 4.26Å; I249-W322 HydrophobicContact CG1-CE3 3.75Å; I249-W322 HydrophobicContact CG1-CZ3 4.35Å; H290-W322 HydrophobicContact CB-CD2 3.42Å; H290-W322 VanDerWaalsContact CB-CD2 3.42Å; H290-W322 VanDerWaalsContact CB-CE2 3.43Å; H290-W322 HydrophobicContact CB-CE3 3.79Å; H290-W322 HydrophobicContact CB-CG 3.88Å; H290-W322 HydrophobicContact CB-CH2 4.13Å; H290-W322 HydrophobicContact CB-CZ2 3.81Å; H290-W322 HydrophobicContact CB-CZ3 4.11Å; H290-W322 AromaticContact CD2-CE2 3.78Å; H290-W322 AromaticContact CD2-CH2 3.26Å; H290-W322 WeakPolarHBondContact CD2-CH2 3.07Å; H290-W322 AromaticContact CD2-CZ2 3.18Å; H290-W322 WeakPolarHBondContact CD2-CZ2 3.37Å; H290-W322 AromaticContact CD2-CZ3 3.93Å; H290-W322 AromaticContact CE1-CZ2 3.61Å; H290-W322 AromaticContact CG-CD2 3.85Å; H290-W322 AromaticContact CG-CE2 3.29Å; H290-W322 AromaticContact CG-CH2 3.67Å; H290-W322 AromaticContact CG-CZ2 3.21Å; H290-W322 AromaticContact CG-NE1 3.74Å; H290-W322 AromaticContact ND1-CE2 3.53Å; H290-W322 AromaticContact ND1-CZ2 3.48Å; H290-W322 WeakPolarHBondContact ND1-CZ2 3.3Å; H290-W322 AromaticContact ND1-NE1 3.57Å; H290-W322 AromaticContact NE2-CH2 3.78Å; H290-W322 AromaticContact NE2-CZ2 3.46Å; H290-W322 WeakPolarHBondContact NE2-CZ2 3.45Å; A318-W322 HydrophobicContact CB-CB 4.12Å; A318-W322 WeakPolarHBondContact CB-O 3.43Å; N319-W322 WeakPolarHBondContact O-CB 3.45Å; N319-W322 PolarHBondContact O-N 3.12Å; E320-W322 PolarHBondContact O-N 2.88Å; W322-Y338 WeakPolarHBondContact O-CE1 3.47Å; W322-Y338 PolarHBondContact O-OH 3.46Å; W322-Y338 VanDerWaalsContact O-OH 3.13Å
323	T	98.8	Very high	96.8	Very high	19 Å²	19	50 Å²	50	12%	0.117	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129.6	-177.7	-49.8	0	0	0	0	110.6	C243 R247 L248 I249 S266 V325	C243-T323 PolarHBondContact SG-OG1 2.86Å; C243-T323 VanDerWaalsContact SG-OG1 3.41Å; R247-T323 PolarHBondContact O-N 2.86Å; L248-T323 WeakPolarHBondContact CA-O 3.36Å; I249-T323 PolarHBondContact N-O 3.1Å; S266-T323 WeakPolarHBondContact OG-CG2 3.25Å; T323-V325 HydrophobicContact CG2-CG1 3.81Å
324	I	98.8	Very high	96.8	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.005	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	126.8	172.1	-52.9	177	0	0	0	107.9	I249 L251 L265 S266 A269 L316 A318	I249-I324 WeakPolarHBondContact O-CA 3.36Å; L251-I324 HydrophobicContact CD1-CG2 3.61Å; L251-I324 HydrophobicContact CD2-CG2 3.78Å; L251-I324 HydrophobicContact CG-CG2 3.5Å; L265-I324 HydrophobicContact CD1-CB 4.49Å; L265-I324 HydrophobicContact CD1-CG2 4.02Å; S266-I324 WeakPolarHBondContact CB-O 3.34Å; S266-I324 PolarHBondContact OG-N 2.83Å; A269-I324 HydrophobicContact CB-CD1 3.88Å; A269-I324 HydrophobicContact CB-CG2 4.43Å; L316-I324 HydrophobicContact CB-CD1 3.88Å; A318-I324 HydrophobicContact CB-CD1 4.23Å; A318-I324 HydrophobicContact CB-CG1 4.01Å
325	V	98.4	Very high	96.8	Very high	19 Å²	19	48.4 Å²	48.4	12%	0.115	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	156.7	-173	-61.6	0	0	0	0	112.2	L248 I249 N250 L251 T323	L248-V325 HydrophobicContact CB-CG2 4.2Å; L248-V325 HydrophobicContact CD2-CG1 4Å; I249-V325 PolarHBondContact O-N 2.85Å; N250-V325 WeakPolarHBondContact CA-O 3.27Å; N250-V325 HydrophobicContact CB-CG2 4.02Å; N250-V325 PolarHBondContact OD1-O 3.29Å; L251-V325 PolarHBondContact N-O 2.72Å; T323-V325 HydrophobicContact CG2-CG1 3.81Å
326	L	97.6	Very high	96.8	Very high	43 Å²	43	48.4 Å²	48.4	23%	0.225	25%	0.251	C	S	.	.			trans	-104.8	168.3	160.3	-54.5	177.4	0	0	0	108.2	L251 D252 L262 L265 K328 S329	L251-L326 HydrophobicContact CB-CD2 4.05Å; L251-L326 HydrophobicContact CD1-CD2 4.44Å; D252-L326 WeakPolarHBondContact OD1-CD2 3.31Å; L262-L326 HydrophobicContact CD2-CD1 3.97Å; L262-L326 HydrophobicContact CD2-CG 4.48Å; L265-L326 HydrophobicContact CD1-CG 4.24Å; L326-K328 PolarHBondContact O-N 3.17Å; L326-S329 PolarHBondContact N-OG 2.97Å; L326-S329 WeakPolarHBondContact O-CB 3.43Å; L326-S329 PolarHBondContact O-N 3.11Å; L326-S329 PolarHBondContact O-OG 2.79Å
327	N	93	Very high	96.8	Very high	116 Å²	116	48.4 Å²	48.4	62%	0.62	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-25	-177.1	-75.1	-36.5	0	0	0	114.8	N250 D252	N250-N327 PolarHBondContact ND2-OD1 3.31Å; D252-N327 VanDerWaalsContact CB-ND2 3.31Å; D252-N327 WeakPolarHBondContact CB-ND2 3.48Å; D252-N327 VanDerWaalsContact OD2-CB 3.24Å; D252-N327 WeakPolarHBondContact OD2-CB 3.25Å; D252-N327 PolarHBondContact OD2-N 2.77Å; D252-N327 PolarHBondContact OD2-ND2 3.39Å
328	K	91.1	Very high	96.8	Very high	203 Å²	203	48.1 Å²	48.1	88%	0.883	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.1	13.3	-179.9	-63.8	-174.9	179.4	-180	0	113.6	L326 S330	L326-K328 PolarHBondContact O-N 3.17Å; K328-S330 PolarHBondContact O-N 2.93Å
329	S	92.4	Very high	96.8	Very high	45 Å²	45	49.4 Å²	49.4	32%	0.315	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-63.7	134.5	176	-69.3	0	0	0	0	110.5	L326	L326-S329 PolarHBondContact N-OG 2.97Å; L326-S329 WeakPolarHBondContact O-CB 3.43Å; L326-S329 PolarHBondContact O-N 3.11Å; L326-S329 PolarHBondContact O-OG 2.79Å
330	S	91.3	Very high	96.8	Very high	115 Å²	115	47 Å²	47	80%	0.804	24%	0.242	S	C	*	.	P	Polyproline II helix	trans	-74.6	149.2	175.4	-64.2	0	0	0	0	110.6	K328	K328-S330 PolarHBondContact O-N 2.93Å
331	Q	92	Very high	96.8	Very high	124 Å²	124	45.7 Å²	45.7	58%	0.579	24%	0.242	S	C	*	.	P	Polyproline II helix	trans	-70.3	135.5	175.8	178.5	172	17.9	0	0	110.9	Q245 L333	Q245-Q331 VanDerWaalsContact NE2-CG 3.32Å; Q245-Q331 VanDerWaalsContact NE2-NE2 3.11Å; Q331-L333 HydrophobicContact CG-CD2 4.24Å
332	K	93.9	Very high	96.9	Very high	74 Å²	74	47.4 Å²	47.4	32%	0.322	25%	0.25	S	S	.	.			trans	-129.4	131.9	169	-151	170.4	64.5	169	0	108.2	H193 C243 G334 D335	H193-K332 HydrophobicContact CB-CD 3.89Å; H193-K332 HydrophobicContact CB-CG 3.93Å; H193-K332 WeakPolarHBondContact CE1-CE 3.36Å; H193-K332 PolarHBondContact CE1-NZ 3.2Å; H193-K332 WeakPolarHBondContact ND1-CD 3.2Å; H193-K332 VanDerWaalsContact ND1-CE 3.26Å; H193-K332 WeakPolarHBondContact ND1-CE 3.38Å; H193-K332 PolarHBondContact ND1-NZ 2.95Å; H193-K332 PolarHBondContact NE2-NZ 3.27Å; H193-K332 VanDerWaalsContact NE2-NZ 3.14Å; H193-K332 WeakPolarHBondContact O-CG 3.36Å; C243-K332 WeakPolarHBondContact CB-O 3.41Å; K332-G334 WeakPolarHBondContact CE-O 3.41Å; K332-G334 WeakPolarHBondContact CG-O 3.3Å; K332-D335 VanDerWaalsContact CE-OD1 3.26Å; K332-D335 WeakPolarHBondContact CE-OD1 3.42Å; K332-D335 VanDerWaalsContact NZ-CG 3.3Å; K332-D335 IonicContact NZ-OD1 3.64Å; K332-D335 PolarHBondContact NZ-OD1 2.75Å; K332-D335 IonicContact NZ-OD2 2.71Å
333	L	98.3	Very high	96.9	Very high	57 Å²	57	49.9 Å²	49.9	30%	0.298	27%	0.272	S	S	.	.	S	Bend	trans	-91.4	-26.6	-173.8	-68.4	-176.3	0	0	0	112.8	H193 K194 Y195 Q242 C243 Q331	H193-L333 PolarHBondContact O-N 3.32Å; K194-L333 WeakPolarHBondContact O-CD1 3.21Å; Y195-L333 WeakPolarHBondContact O-CB 3.22Å; Q242-L333 PolarHBondContact NE2-O 2.69Å; Q242-L333 VanDerWaalsContact NE2-O 3.1Å; C243-L333 PolarHBondContact N-O 2.98Å; Q331-L333 HydrophobicContact CG-CD2 4.24Å
334	G	98.7	Very high	96.9	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	144.9	165.4	0	0	0	0	0	110.7	G192 H193 T241 K332	G192-G334 WeakPolarHBondContact O-CA 3.3Å; H193-G334 PolarHBondContact ND1-O 2.9Å; H193-G334 PolarHBondContact O-N 3.48Å; H193-G334 VanDerWaalsContact O-N 3.11Å; T241-G334 CarbonylContact O-C 3.58Å; T241-G334 VanDerWaalsContact O-CA 3.31Å; T241-G334 WeakPolarHBondContact O-CA 3.15Å; K332-G334 WeakPolarHBondContact CE-O 3.41Å; K332-G334 WeakPolarHBondContact CG-O 3.3Å
335	D	98.8	Very high	96.9	Very high	4 Å²	4	49 Å²	49	2%	0.021	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	165.2	165.4	-154.5	4	0	0	0	111.3	K69 H193 M240 T241 C243 K332 Y338	K69-D335 IonicContact NZ-OD1 3.44Å; K69-D335 PolarHBondContact NZ-OD1 3.05Å; H193-D335 IonicContact CE1-OD1 3.35Å; H193-D335 PolarHBondContact CE1-OD1 3.49Å; M240-D335 VanDerWaalsContact SD-CA 3.55Å; M240-D335 PolarHBondContact SD-N 3.45Å; T241-D335 PolarHBondContact N-O 2.91Å; T241-D335 PolarHBondContact O-N 3.21Å; C243-D335 WeakPolarHBondContact SG-CB 3.49Å; K332-D335 VanDerWaalsContact CE-OD1 3.26Å; K332-D335 WeakPolarHBondContact CE-OD1 3.42Å; K332-D335 VanDerWaalsContact NZ-CG 3.3Å; K332-D335 IonicContact NZ-OD1 3.64Å; K332-D335 PolarHBondContact NZ-OD1 2.75Å; K332-D335 IonicContact NZ-OD2 2.71Å; D335-Y338 HydrophobicContact CB-CE2 4.23Å
336	H	98.9	Very high	96.9	Very high	3 Å²	3	48.9 Å²	48.9	1%	0.014	27%	0.265	C	S	.	.			trans	-143.7	167.2	175.3	62.1	88.5	0	0	0	108.9	T68 K69 D189 H193 H238 G239 P267 M345	T68-H336 PolarHBondContact O-ND1 3.12Å; K69-H336 VanDerWaalsContact CE-O 3.29Å; K69-H336 WeakPolarHBondContact CE-O 3.48Å; K69-H336 PolarHBondContact NZ-O 3.41Å; D189-H336 IonicContact OD1-CD2 3.68Å; D189-H336 PolarHBondContact OD1-CD2 3.47Å; D189-H336 IonicContact OD1-NE2 3.02Å; D189-H336 PolarHBondContact OD1-NE2 3.4Å; H193-H336 AromaticContact CE1-CD2 3.21Å; H193-H336 PolarHBondContact CE1-CD2 3.45Å; H193-H336 AromaticContact CE1-NE2 3.29Å; H193-H336 PolarHBondContact CE1-NE2 2.89Å; H193-H336 VanDerWaalsContact CE1-NE2 3.29Å; H193-H336 AromaticContact NE2-CD2 3.66Å; H193-H336 AromaticContact NE2-NE2 3.22Å; H193-H336 PolarHBondContact NE2-NE2 3.33Å; H238-H336 AromaticContact CD2-CE1 3.78Å; H238-H336 AromaticContact CD2-ND1 3.48Å; H238-H336 PolarHBondContact CD2-ND1 3.33Å; H238-H336 AromaticContact CE1-CD2 3.43Å; H238-H336 PolarHBondContact CE1-CD2 3.12Å; H238-H336 VanDerWaalsContact CE1-CD2 3.43Å; H238-H336 AromaticContact CE1-CE1 3.11Å; H238-H336 PolarHBondContact CE1-CE1 3.39Å; H238-H336 AromaticContact CE1-CG 3.38Å; H238-H336 AromaticContact CE1-ND1 3.18Å; H238-H336 PolarHBondContact CE1-ND1 3.02Å; H238-H336 AromaticContact CE1-NE2 3.36Å; H238-H336 PolarHBondContact CE1-NE2 2.85Å; H238-H336 AromaticContact CG-CG 3.93Å; H238-H336 AromaticContact CG-ND1 3.61Å; H238-H336 AromaticContact ND1-CD2 3.76Å; H238-H336 AromaticContact ND1-CE1 3.83Å; H238-H336 AromaticContact ND1-CG 3.36Å; H238-H336 AromaticContact ND1-ND1 3.4Å; H238-H336 PolarHBondContact ND1-ND1 3.11Å; H238-H336 AromaticContact NE2-CE1 2.97Å; H238-H336 PolarHBondContact NE2-CE1 3.35Å; H238-H336 AromaticContact NE2-CG 3.85Å; H238-H336 AromaticContact NE2-ND1 3.14Å; H238-H336 PolarHBondContact NE2-ND1 2.84Å; H238-H336 VanDerWaalsContact NE2-ND1 3.14Å; H238-H336 AromaticContact NE2-NE2 3.67Å; G239-H336 WeakPolarHBondContact O-CB 3.24Å; P267-H336 WeakPolarHBondContact CD-O 3.45Å; P267-H336 WeakPolarHBondContact CG-O 3.39Å; H336-M345 HydrophobicContact CB-CE 4.23Å; H336-M345 HydrophobicContact CB-SD 3.88Å
337	G	98.8	Very high	97	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.254	C	S	.	.			trans	120.6	-2.4	-174.4	0	0	0	0	0	112.9	T68 P267 V268	T68-G337 WeakPolarHBondContact O-CA 3.31Å; T68-G337 PolarHBondContact O-N 3.12Å; T68-G337 WeakPolarHBondContact OG1-CA 3.32Å; T68-G337 PolarHBondContact OG1-N 3.25Å; P267-G337 VanDerWaalsContact CG-C 3.44Å; V268-G337 VanDerWaalsContact CG2-O 3.23Å; V268-G337 WeakPolarHBondContact CG2-O 3.45Å
338	Y	98.9	Very high	97.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	-69.2	-172.4	-179.6	-56.5	-88.7	0	0	0	111.5	T68 T241 C243 P267 A318 N319 W322 D335 N340 M345	T68-Y338 WeakPolarHBondContact CG2-O 3.22Å; T68-Y338 PolarHBondContact OG1-N 2.65Å; T241-Y338 HydrophobicContact CG2-CD2 3.77Å; T241-Y338 HydrophobicContact CG2-CE2 3.33Å; C243-Y338 PolarHBondContact SG-OH 3.04Å; P267-Y338 HydrophobicContact CB-CD1 3.54Å; P267-Y338 HydrophobicContact CB-CD2 4.32Å; P267-Y338 HydrophobicContact CB-CE1 3.27Å; P267-Y338 HydrophobicContact CB-CE2 4.07Å; P267-Y338 HydrophobicContact CB-CG 4.08Å; P267-Y338 HydrophobicContact CG-CD1 3.8Å; P267-Y338 HydrophobicContact CG-CD2 3.82Å; P267-Y338 HydrophobicContact CG-CE1 3.86Å; P267-Y338 HydrophobicContact CG-CE2 3.85Å; P267-Y338 HydrophobicContact CG-CG 3.79Å; A318-Y338 HydrophobicContact CB-CE1 4.38Å; N319-Y338 VanDerWaalsContact O-CE1 3.26Å; N319-Y338 WeakPolarHBondContact O-CE1 3.39Å; W322-Y338 WeakPolarHBondContact O-CE1 3.47Å; W322-Y338 PolarHBondContact O-OH 3.46Å; W322-Y338 VanDerWaalsContact O-OH 3.13Å; D335-Y338 HydrophobicContact CB-CE2 4.23Å; Y338-N340 PolarHBondContact O-N 3.41Å; Y338-M345 HydrophobicContact CD2-CE 3.94Å; Y338-M345 HydrophobicContact CD2-SD 3.71Å; Y338-M345 HydrophobicContact CG-SD 4.37Å
339	D	98.9	Very high	97.6	Very high	32 Å²	32	31.6 Å²	31.6	17%	0.171	18%	0.182	C	C	.	.			trans	-52.2	122.7	174.6	-175.5	-21.2	0	0	0	112.3	R302 F303 S341 L342	R302-D339 IonicContact CZ-OD1 3.82Å; R302-D339 IonicContact CZ-OD2 3.49Å; R302-D339 VanDerWaalsContact CZ-OD2 3.26Å; R302-D339 VanDerWaalsContact NH1-CG 3.27Å; R302-D339 IonicContact NH1-OD1 3.34Å; R302-D339 PolarHBondContact NH1-OD1 3.25Å; R302-D339 IonicContact NH1-OD2 3.42Å; R302-D339 PolarHBondContact NH1-OD2 2.88Å; R302-D339 IonicContact NH2-OD1 3.88Å; R302-D339 IonicContact NH2-OD2 3.32Å; R302-D339 PolarHBondContact NH2-OD2 2.92Å; F303-D339 HydrophobicContact CE1-CB 4.23Å; F303-D339 WeakPolarHBondContact CE1-OD1 3.46Å; F303-D339 HydrophobicContact CZ-CB 4.32Å; D339-S341 PolarHBondContact O-N 2.78Å; D339-S341 VanDerWaalsContact OD1-CB 3.28Å; D339-S341 WeakPolarHBondContact OD1-CB 3.47Å; D339-S341 PolarHBondContact OD1-N 3.42Å; D339-S341 PolarHBondContact OD1-OG 3.26Å; D339-L342 HydrophobicContact CB-CD1 3.92Å; D339-L342 HydrophobicContact CB-CG 4.03Å; D339-L342 VanDerWaalsContact O-CB 3.3Å; D339-L342 WeakPolarHBondContact O-CB 3.41Å; D339-L342 WeakPolarHBondContact O-CG 3.09Å; D339-L342 PolarHBondContact O-N 2.82Å
340	N	98.8	Very high	97.9	Very high	8 Å²	8	29.5 Å²	29.5	4%	0.043	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-0.4	-179.9	71.9	-41.5	0	0	0	114.6	N64 F66 T68 Y338 H346	N64-N340 WeakPolarHBondContact O-CB 3.4Å; N64-N340 PolarHBondContact O-ND2 3.29Å; F66-N340 HydrophobicContact CB-CB 4.08Å; T68-N340 HydrophobicContact CG2-CB 3.6Å; Y338-N340 PolarHBondContact O-N 3.41Å; N340-H346 PolarHBondContact O-CD2 3.37Å; N340-H346 PolarHBondContact O-NE2 2.71Å
341	S	98.8	Very high	98.3	Very high	53 Å²	53	24 Å²	24	37%	0.371	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-9.9	170.1	-52.1	0	0	0	0	112.6	R302 D339	R302-S341 PolarHBondContact NH1-OG 3.34Å; D339-S341 PolarHBondContact O-N 2.78Å; D339-S341 VanDerWaalsContact OD1-CB 3.28Å; D339-S341 WeakPolarHBondContact OD1-CB 3.47Å; D339-S341 PolarHBondContact OD1-N 3.42Å; D339-S341 PolarHBondContact OD1-OG 3.26Å
342	L	98.9	Very high	98.6	Very high	39 Å²	39	18.3 Å²	18.3	20%	0.204	10%	0.102	C	C	.	.	S	Bend	trans	-76.1	127	178.4	-64.3	167.3	0	0	0	110.7	E320 D339 S344 M345 H346	E320-L342 HydrophobicContact CB-CD1 3.75Å; E320-L342 HydrophobicContact CB-CD2 4.37Å; E320-L342 HydrophobicContact CG-CD1 3.93Å; D339-L342 HydrophobicContact CB-CD1 3.92Å; D339-L342 HydrophobicContact CB-CG 4.03Å; D339-L342 VanDerWaalsContact O-CB 3.3Å; D339-L342 WeakPolarHBondContact O-CB 3.41Å; D339-L342 WeakPolarHBondContact O-CG 3.09Å; D339-L342 PolarHBondContact O-N 2.82Å; L342-S344 PolarHBondContact O-N 2.92Å; L342-S344 VanDerWaalsContact O-N 3.16Å; L342-M345 HydrophobicContact CB-CG 4.05Å; L342-M345 HydrophobicContact CD1-CG 4.5Å; L342-M345 WeakPolarHBondContact O-CB 3.4Å; L342-M345 PolarHBondContact O-N 3.21Å; L342-H346 PolarHBondContact O-CD2 3.17Å; L342-H346 PolarHBondContact O-NE2 3.13Å
343	P	98.9	Very high	98.8	Very high	93 Å²	93	15.2 Å²	15.2	60%	0.604	9%	0.091	S	C	*	.	G	3₁₀ helix	trans	-58.4	-29.8	178.6	-26.9	35.5	0	0	0	114.3	M345 H346	P343-M345 PolarHBondContact O-N 3.24Å; P343-H346 PolarHBondContact O-N 3.4Å
344	S	98.9	Very high	98.8	Very high	2 Å²	2	15.8 Å²	15.8	1%	0.014	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-63.8	-22	176.7	60	0	0	0	0	113.5	R37 G239 M240 E320 L342	R37-S344 WeakPolarHBondContact CD-O 3.41Å; R37-S344 VanDerWaalsContact NH1-CB 3.34Å; G239-S344 CarbonylContact C-O 3.57Å; G239-S344 VanDerWaalsContact CA-O 3.25Å; G239-S344 WeakPolarHBondContact CA-O 3.33Å; M240-S344 PolarHBondContact N-O 3.18Å; E320-S344 WeakPolarHBondContact OE1-CB 3.47Å; E320-S344 PolarHBondContact OE1-OG 2.84Å; L342-S344 PolarHBondContact O-N 2.92Å; L342-S344 VanDerWaalsContact O-N 3.16Å
345	M	98.9	Very high	98.8	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-92.6	-9.3	179.6	-60.8	-63.4	97.8	0	0	112.9	N64 T68 H238 G239 T241 H336 Y338 L342 P343	N64-M345 PolarHBondContact ND2-O 2.96Å; T68-M345 HydrophobicContact CG2-CB 3.92Å; T68-M345 HydrophobicContact CG2-CG 4.32Å; T68-M345 PolarHBondContact OG1-SD 2.76Å; H238-M345 CarbonylContact C-O 3.52Å; H238-M345 WeakPolarHBondContact CA-O 3.48Å; G239-M345 VanDerWaalsContact N-C 3.35Å; G239-M345 PolarHBondContact N-O 3.28Å; T241-M345 HydrophobicContact CG2-CE 3.95Å; H336-M345 HydrophobicContact CB-CE 4.23Å; H336-M345 HydrophobicContact CB-SD 3.88Å; Y338-M345 HydrophobicContact CD2-CE 3.94Å; Y338-M345 HydrophobicContact CD2-SD 3.71Å; Y338-M345 HydrophobicContact CG-SD 4.37Å; L342-M345 HydrophobicContact CB-CG 4.05Å; L342-M345 HydrophobicContact CD1-CG 4.5Å; L342-M345 WeakPolarHBondContact O-CB 3.4Å; L342-M345 PolarHBondContact O-N 3.21Å; P343-M345 PolarHBondContact O-N 3.24Å
346	H	98.9	Very high	98.8	Very high	15 Å²	15	16.7 Å²	16.7	7%	0.069	11%	0.106	C	C	.	.			trans	-81.1	128.2	-176.8	-63	163.2	0	0	0	111.1	A38 H61 V62 N340 L342 P343	A38-H346 WeakPolarHBondContact CB-O 3.16Å; A38-H346 PolarHBondContact N-O 3.27Å; H61-H346 HydrophobicContact CB-CB 4.13Å; H61-H346 AromaticContact CD2-ND1 3.97Å; V62-H346 WeakPolarHBondContact O-CB 3.5Å; N340-H346 PolarHBondContact O-CD2 3.37Å; N340-H346 PolarHBondContact O-NE2 2.71Å; L342-H346 PolarHBondContact O-CD2 3.17Å; L342-H346 PolarHBondContact O-NE2 3.13Å; P343-H346 PolarHBondContact O-N 3.4Å
347	P	98.9	Very high	98.8	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	-78.3	179.7	164.1	33.4	-33.2	0	0	0	110.8	F36 H61 V62 N64 S236	F36-P347 WeakPolarHBondContact O-CA 3.45Å; H61-P347 CarbonylContact C-O 3.3Å; H61-P347 WeakPolarHBondContact CA-O 3.44Å; V62-P347 HydrophobicContact CB-CG 4.21Å; V62-P347 PolarHBondContact N-O 3.44Å; V62-P347 WeakPolarHBondContact O-CD 3.43Å; N64-P347 HydrophobicContact CB-CG 4.47Å; S236-P347 WeakPolarHBondContact O-CG 3.33Å
348	F	98.9	Very high	98.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.15	C	C	.	.			trans	-112.5	173	168.6	79.9	-78.9	0	0	0	110.7	F36 A38 L41 L49 L58 I234 T235 A350	F36-F348 HydrophobicContact CB-CE1 4.26Å; F36-F348 AromaticContact CD1-CD1 3.86Å; F36-F348 HydrophobicContact CD1-CD1 3.86Å; F36-F348 AromaticContact CD1-CE1 3.58Å; F36-F348 HydrophobicContact CD1-CE1 3.58Å; F36-F348 AromaticContact CD2-CE1 3.7Å; F36-F348 HydrophobicContact CD2-CE1 3.7Å; F36-F348 HydrophobicContact CD2-CZ 4.41Å; F36-F348 HydrophobicContact CE1-CD1 4.1Å; F36-F348 AromaticContact CE1-CE1 3.67Å; F36-F348 HydrophobicContact CE1-CE1 3.67Å; F36-F348 AromaticContact CE2-CE1 3.77Å; F36-F348 HydrophobicContact CE2-CE1 3.77Å; F36-F348 HydrophobicContact CE2-CZ 4.2Å; F36-F348 HydrophobicContact CG-CD1 4.18Å; F36-F348 AromaticContact CG-CE1 3.59Å; F36-F348 HydrophobicContact CG-CE1 3.59Å; F36-F348 AromaticContact CZ-CE1 3.76Å; F36-F348 HydrophobicContact CZ-CE1 3.76Å; F36-F348 HydrophobicContact CZ-CZ 4.28Å; A38-F348 HydrophobicContact CB-CB 4.38Å; L41-F348 HydrophobicContact CD1-CB 3.86Å; L41-F348 HydrophobicContact CD1-CD1 4.09Å; L41-F348 HydrophobicContact CD1-CD2 3.68Å; L41-F348 HydrophobicContact CD1-CE2 4.25Å; L41-F348 HydrophobicContact CD1-CG 3.59Å; L41-F348 HydrophobicContact CD2-CE1 4.39Å; L41-F348 HydrophobicContact CD2-CZ 4.44Å; L41-F348 HydrophobicContact CG-CD1 4.38Å; L41-F348 HydrophobicContact CG-CG 4.35Å; L49-F348 HydrophobicContact CD1-CE2 4.23Å; L49-F348 HydrophobicContact CD1-CZ 4.37Å; L49-F348 HydrophobicContact CD2-CE2 3.93Å; L49-F348 HydrophobicContact CD2-CZ 3.66Å; L58-F348 HydrophobicContact CD1-CD2 3.89Å; I234-F348 HydrophobicContact CG2-CZ 4.25Å; T235-F348 WeakPolarHBondContact CA-O 3.41Å; T235-F348 PolarHBondContact OG1-O 3.03Å; T235-F348 VanDerWaalsContact OG1-O 3.07Å; F348-A350 HydrophobicContact CD2-CB 4.38Å; F348-A350 HydrophobicContact CE2-CB 3.91Å
349	L	98.9	Very high	98.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	131	167.4	179.6	151.7	0	0	0	110.4	L58 V59 V62 I233 A351 I365 I370	L58-L349 CarbonylContact C-O 3.57Å; V59-L349 HydrophobicContact CB-CB 4.25Å; V59-L349 HydrophobicContact CG2-CB 4.49Å; V59-L349 HydrophobicContact CG2-CD2 4.17Å; V59-L349 PolarHBondContact N-O 3.22Å; V59-L349 PolarHBondContact O-N 3.44Å; V62-L349 HydrophobicContact CG2-CB 3.75Å; I233-L349 HydrophobicContact CG2-CD1 3.74Å; I233-L349 HydrophobicContact CG2-CD2 4.42Å; I233-L349 HydrophobicContact CG2-CG 3.88Å; L349-A351 HydrophobicContact CD2-CB 4.35Å; L349-I365 HydrophobicContact CD1-CD1 4.41Å; L349-I370 HydrophobicContact CD1-CD1 3.68Å; L349-I370 HydrophobicContact CD1-CG1 3.82Å; L349-I370 HydrophobicContact CD1-CG2 4.42Å
350	A	98.9	Very high	98.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	147.7	166.3	0	0	0	0	0	109.7	L49 F52 I53 V57 L58 I233 I234 F348	L49-A350 HydrophobicContact CD1-CB 4.18Å; F52-A350 HydrophobicContact CD1-CB 3.99Å; F52-A350 HydrophobicContact CE1-CB 3.85Å; I53-A350 HydrophobicContact CD1-CB 4.42Å; I53-A350 HydrophobicContact CG1-CB 3.8Å; V57-A350 CarbonylContact O-C 3.46Å; V57-A350 VanDerWaalsContact O-CA 3.26Å; V57-A350 WeakPolarHBondContact O-CA 3.16Å; L58-A350 HydrophobicContact CD1-CB 4.4Å; I233-A350 WeakPolarHBondContact CA-O 3.36Å; I234-A350 PolarHBondContact N-O 3.14Å; I234-A350 PolarHBondContact O-N 3.29Å; I234-A350 VanDerWaalsContact O-O 3.12Å; F348-A350 HydrophobicContact CD2-CB 4.38Å; F348-A350 HydrophobicContact CE2-CB 3.91Å
351	A	98.9	Very high	98.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	149.5	175	0	0	0	0	0	113	G56 V57 V232 I233 L349 F356	G56-A351 CarbonylContact C-O 3.35Å; G56-A351 VanDerWaalsContact CA-O 3.23Å; G56-A351 WeakPolarHBondContact CA-O 3.41Å; V57-A351 HydrophobicContact CG2-CB 3.8Å; V57-A351 PolarHBondContact N-O 2.88Å; V57-A351 PolarHBondContact O-N 3.39Å; V232-A351 CarbonylContact O-C 3.57Å; V232-A351 WeakPolarHBondContact O-CA 3.45Å; V232-A351 WeakPolarHBondContact O-CB 3.19Å; I233-A351 HydrophobicContact CG1-CB 3.98Å; L349-A351 HydrophobicContact CD2-CB 4.35Å; A351-F356 HydrophobicContact CB-CD1 3.79Å; A351-F356 HydrophobicContact CB-CD2 3.78Å; A351-F356 HydrophobicContact CB-CE1 3.61Å; A351-F356 HydrophobicContact CB-CE2 3.57Å; A351-F356 HydrophobicContact CB-CG 3.87Å; A351-F356 HydrophobicContact CB-CZ 3.49Å; A351-F356 VanDerWaalsContact CB-CZ 3.49Å
352	H	98.9	Very high	98.4	Very high	4 Å²	4	35.5 Å²	35.5	2%	0.019	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	147.2	179.2	172.5	-87.5	0	0	0	109.5	F52 E55 W227 N231 V232	F52-H352 HydrophobicContact CD1-CB 4.4Å; F52-H352 HydrophobicContact CD2-CB 4.05Å; F52-H352 HydrophobicContact CE1-CB 3.93Å; F52-H352 HydrophobicContact CE2-CB 3.52Å; F52-H352 HydrophobicContact CG-CB 4.45Å; F52-H352 HydrophobicContact CZ-CB 3.45Å; F52-H352 VanDerWaalsContact CZ-CB 3.45Å; E55-H352 PolarHBondContact O-CD2 2.95Å; W227-H352 AromaticContact CD2-CE1 3.63Å; W227-H352 AromaticContact CE2-CE1 3.26Å; W227-H352 AromaticContact CE2-ND1 3.87Å; W227-H352 AromaticContact CE2-NE2 3.51Å; W227-H352 AromaticContact CE3-ND1 3.96Å; W227-H352 HydrophobicContact CH2-CB 4.28Å; W227-H352 AromaticContact CH2-CD2 3.88Å; W227-H352 AromaticContact CH2-CE1 3.8Å; W227-H352 AromaticContact CH2-CG 3.64Å; W227-H352 AromaticContact CH2-ND1 3.59Å; W227-H352 AromaticContact CH2-NE2 4Å; W227-H352 AromaticContact CZ2-CD2 3.59Å; W227-H352 AromaticContact CZ2-CE1 3.39Å; W227-H352 WeakPolarHBondContact CZ2-CE1 3.26Å; W227-H352 AromaticContact CZ2-CG 3.81Å; W227-H352 AromaticContact CZ2-ND1 3.68Å; W227-H352 AromaticContact CZ2-NE2 3.34Å; W227-H352 VanDerWaalsContact CZ2-NE2 3.34Å; W227-H352 WeakPolarHBondContact CZ2-NE2 3.39Å; W227-H352 AromaticContact CZ3-ND1 3.72Å; W227-H352 AromaticContact NE1-CE1 3.6Å; W227-H352 AromaticContact NE1-NE2 3.69Å; W227-H352 PolarHBondContact O-CE1 2.86Å; W227-H352 VanDerWaalsContact O-CE1 3.23Å; N231-H352 CarbonylContact C-O 3.56Å; N231-H352 WeakPolarHBondContact CA-O 3.33Å; V232-H352 PolarHBondContact N-O 3.01Å; V232-H352 PolarHBondContact O-N 2.9Å
353	G	98.6	Very high	98.3	Very high	9 Å²	9	37 Å²	37	9%	0.093	21%	0.207	C	C	.	.	S	Bend	trans	136.8	-178.3	172.6	0	0	0	0	0	112.9	A355 F356	G353-A355 PolarHBondContact O-N 2.88Å; G353-A355 VanDerWaalsContact O-N 3.16Å; G353-F356 PolarHBondContact O-N 3.46Å
354	P	98.3	Very high	98.3	Very high	70 Å²	70	35.1 Å²	35.1	46%	0.455	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-22.3	-171.3	24.2	-34.8	0	0	0	114.6	N231 V397	N231-P354 VanDerWaalsContact OD1-CD 3.23Å; N231-P354 WeakPolarHBondContact OD1-CD 3.26Å; P354-V397 WeakPolarHBondContact O-CG2 3.34Å
355	A	98.6	Very high	98.3	Very high	18 Å²	18	35.2 Å²	35.2	15%	0.149	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-15.1	177.3	0	0	0	0	0	113.6	N231 G353 I377 L396 V397	N231-A355 WeakPolarHBondContact OD1-CB 3.48Å; N231-A355 PolarHBondContact OD1-N 3.48Å; G353-A355 PolarHBondContact O-N 2.88Å; G353-A355 VanDerWaalsContact O-N 3.16Å; A355-I377 HydrophobicContact CB-CD1 4.46Å; A355-I377 HydrophobicContact CB-CG1 4.01Å; A355-I377 HydrophobicContact CB-CG2 4.17Å; A355-L396 VanDerWaalsContact O-CA 3.28Å; A355-L396 WeakPolarHBondContact O-CA 3.34Å; A355-V397 PolarHBondContact O-N 3.44Å
356	F	98.8	Very high	98.3	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.018	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-106.8	145.4	-170	-64.8	-73	0	0	0	112.7	V57 N231 I233 A351 G353 M373 I377 L395 L396 V397	V57-F356 HydrophobicContact CG1-CB 4.29Å; V57-F356 HydrophobicContact CG2-CB 4.46Å; V57-F356 HydrophobicContact CG2-CD1 3.97Å; V57-F356 HydrophobicContact CG2-CG 4.44Å; N231-F356 HydrophobicContact CB-CE2 4.04Å; I233-F356 HydrophobicContact CD1-CZ 4.17Å; I233-F356 HydrophobicContact CG1-CE2 4.29Å; I233-F356 HydrophobicContact CG1-CZ 3.87Å; A351-F356 HydrophobicContact CB-CD1 3.79Å; A351-F356 HydrophobicContact CB-CD2 3.78Å; A351-F356 HydrophobicContact CB-CE1 3.61Å; A351-F356 HydrophobicContact CB-CE2 3.57Å; A351-F356 HydrophobicContact CB-CG 3.87Å; A351-F356 HydrophobicContact CB-CZ 3.49Å; A351-F356 VanDerWaalsContact CB-CZ 3.49Å; G353-F356 PolarHBondContact O-N 3.46Å; F356-M373 HydrophobicContact CE1-CE 4.45Å; F356-M373 HydrophobicContact CE1-SD 4.05Å; F356-I377 HydrophobicContact CE1-CD1 4.01Å; F356-I377 HydrophobicContact CE2-CD1 4.05Å; F356-I377 HydrophobicContact CZ-CD1 3.42Å; F356-I377 VanDerWaalsContact CZ-CD1 3.42Å; F356-L395 WeakPolarHBondContact CA-O 3.11Å; F356-L395 HydrophobicContact CD1-CB 4.39Å; F356-L396 HydrophobicContact CD1-CD2 3.96Å; F356-L396 HydrophobicContact CE1-CD2 3.81Å; F356-V397 VanDerWaalsContact O-CG1 3.26Å; F356-V397 WeakPolarHBondContact O-CG1 3.45Å
357	H	98.2	Very high	98.3	Very high	62 Å²	62	36.8 Å²	36.8	29%	0.287	20%	0.204	S	C	.	.			trans	-62.2	159.2	170.8	-77	-63.4	0	0	0	111.6	G56 V57 C394 L395 L396	G56-H357 CarbonylContact C-O 3.57Å; G56-H357 VanDerWaalsContact CA-O 3.32Å; G56-H357 WeakPolarHBondContact CA-O 3.45Å; G56-H357 VanDerWaalsContact O-O 3.13Å; V57-H357 HydrophobicContact CG1-CB 3.95Å; V57-H357 WeakPolarHBondContact CG1-O 3.38Å; H357-C394 PolarHBondContact CD2-O 3.06Å; H357-L395 PolarHBondContact N-O 3.47Å; H357-L396 PolarHBondContact NE2-O 3.16Å
358	K	97.4	Very high	98.3	Very high	152 Å²	152	36.9 Å²	36.9	66%	0.661	20%	0.204	S	C	*	.	S	Bend	trans	-104	130.8	177.1	-55.7	-166	174.9	-170.7	0	110.7	E55 G56 Y360	E55-K358 WeakPolarHBondContact O-CG 3.44Å; G56-K358 CarbonylContact O-C 3.24Å; K358-Y360 VanDerWaalsContact C-N 3.3Å; K358-Y360 PolarHBondContact O-N 2.86Å
359	G	96.1	Very high	98.3	Very high	51 Å²	51	36.9 Å²	36.9	53%	0.526	20%	0.204	S	C	.	.	S	Bend	trans	68.7	21.7	177.2	0	0	0	0	0	114.9	K54 G56	K54-G359 WeakPolarHBondContact O-CA 3.09Å; K54-G359 PolarHBondContact O-N 3.49Å; G56-G359 WeakPolarHBondContact O-CA 3.44Å; G56-G359 PolarHBondContact O-N 3Å
360	Y	97.7	Very high	98.3	Very high	55 Å²	55	36.9 Å²	36.9	22%	0.216	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	139.4	-178.9	-179.4	-104.6	0	0	0	111.8	G56 V57 L58 K358 H362 C394 L395	G56-Y360 PolarHBondContact O-N 2.83Å; V57-Y360 CarbonylContact C-O 3.53Å; V57-Y360 VanDerWaalsContact CA-O 3.22Å; V57-Y360 WeakPolarHBondContact CA-O 2.99Å; V57-Y360 HydrophobicContact CG1-CD1 4.37Å; L58-Y360 PolarHBondContact N-O 3.44Å; K358-Y360 VanDerWaalsContact C-N 3.3Å; K358-Y360 PolarHBondContact O-N 2.86Å; Y360-H362 HydrophobicContact CE1-CB 3.77Å; Y360-H362 AromaticContact CE1-ND1 3.98Å; Y360-H362 AromaticContact CZ-ND1 3.88Å; Y360-H362 PolarHBondContact OH-ND1 2.93Å; Y360-C394 VanDerWaalsContact CD1-O 3.22Å; Y360-C394 WeakPolarHBondContact CD1-O 3.2Å; Y360-C394 HydrophobicContact CE1-CB 3.74Å; Y360-C394 WeakPolarHBondContact CE1-O 3.28Å; Y360-C394 VanDerWaalsContact OH-CB 3.27Å; Y360-C394 WeakPolarHBondContact OH-CB 3.48Å; Y360-L395 HydrophobicContact CD1-CD2 4.11Å; Y360-L395 HydrophobicContact CE1-CD2 4.04Å
361	K	97.7	Very high	98.3	Very high	123 Å²	123	36.9 Å²	36.9	54%	0.535	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	134.1	176.1	-61.3	-172.9	-178.9	-174.8	0	109.7	L58	L58-K361 HydrophobicContact CB-CG 4.39Å; L58-K361 CarbonylContact O-C 3.42Å; L58-K361 WeakPolarHBondContact O-CA 3.29Å
362	H	96.5	Very high	98.3	Very high	48 Å²	48	37.4 Å²	37.4	22%	0.222	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	147	179	-155.5	53.5	0	0	0	110.1	L58 V59 E60 Y360 T364 L395	L58-H362 PolarHBondContact O-N 2.95Å; V59-H362 WeakPolarHBondContact CA-O 3.47Å; V59-H362 HydrophobicContact CG2-CB 4.43Å; E60-H362 PolarHBondContact N-O 3.41Å; Y360-H362 HydrophobicContact CE1-CB 3.77Å; Y360-H362 AromaticContact CE1-ND1 3.98Å; Y360-H362 AromaticContact CZ-ND1 3.88Å; Y360-H362 PolarHBondContact OH-ND1 2.93Å; H362-T364 PolarHBondContact CD2-O 3.5Å; H362-L395 HydrophobicContact CB-CD2 3.98Å
363	S	97.2	Very high	98.3	Very high	70 Å²	70	37.2 Å²	37.2	49%	0.49	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	-59.2	-176.4	-178.1	0	0	0	0	111.3	E60 H61	E60-S363 PolarHBondContact N-O 2.95Å; H61-S363 PolarHBondContact CE1-O 3.27Å; H61-S363 PolarHBondContact N-O 2.6Å; H61-S363 PolarHBondContact ND1-O 3.44Å
364	T	98.6	Very high	98.3	Very high	54 Å²	54	36.8 Å²	36.8	33%	0.331	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	153.3	-171.5	-166.2	0	0	0	0	113.1	H61 H362	H61-T364 PolarHBondContact CD2-OG1 3.35Å; H61-T364 WeakPolarHBondContact NE2-CB 3.13Å; H61-T364 WeakPolarHBondContact O-CA 3.42Å; H61-T364 VanDerWaalsContact O-CB 3.29Å; H61-T364 WeakPolarHBondContact O-CB 3.46Å; H61-T364 PolarHBondContact O-OG1 3.47Å; H362-T364 PolarHBondContact CD2-O 3.5Å
365	I	98.8	Very high	98.3	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.021	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	168.9	164.2	68.8	177.5	0	0	0	107.5	V59 V62 K63 L349 I370 H391 T392	V59-I365 HydrophobicContact CG1-CG1 4.18Å; V59-I365 HydrophobicContact CG1-CG2 4.35Å; V59-I365 HydrophobicContact CG2-CD1 4.28Å; V59-I365 HydrophobicContact CG2-CG1 4.43Å; V59-I365 HydrophobicContact CG2-CG2 4.25Å; V62-I365 WeakPolarHBondContact CA-O 3.22Å; V62-I365 HydrophobicContact CG1-CG1 4.28Å; V62-I365 HydrophobicContact CG2-CG1 4.12Å; K63-I365 PolarHBondContact N-O 3.44Å; L349-I365 HydrophobicContact CD1-CD1 4.41Å; I365-I370 HydrophobicContact CD1-CG1 4.04Å; I365-H391 HydrophobicContact CG2-CB 4.32Å; I365-H391 WeakPolarHBondContact CG2-O 2.99Å; I365-T392 HydrophobicContact CD1-CG2 3.97Å; I365-T392 HydrophobicContact CG2-CG2 4.28Å
366	N	98.9	Very high	98.3	Very high	47 Å²	47	35.8 Å²	35.8	25%	0.251	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	150.8	166.8	-51.1	-67.1	0	0	0	110.3	K63 V368 D369	K63-N366 CarbonylContact O-C 3.1Å; K63-N366 WeakPolarHBondContact O-CA 3.43Å; N366-V368 HydrophobicContact CB-CG2 3.94Å; N366-V368 PolarHBondContact O-N 3Å; N366-D369 WeakPolarHBondContact CB-OD2 3.19Å; N366-D369 PolarHBondContact N-OD2 2.67Å; N366-D369 PolarHBondContact ND2-OD2 3.23Å; N366-D369 WeakPolarHBondContact O-CB 3.45Å; N366-D369 PolarHBondContact O-N 3.06Å
367	I	98.9	Very high	98.3	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-61.2	-32.1	-178.2	-159.7	167.2	0	0	0	112.4	V62 K63 N64 V65 N73 I77 D369 I370	V62-I367 HydrophobicContact CG1-CB 3.76Å; V62-I367 HydrophobicContact CG1-CG1 4.18Å; K63-I367 PolarHBondContact O-N 2.82Å; N64-I367 HydrophobicContact CB-CB 4.34Å; N64-I367 HydrophobicContact CB-CD1 3.88Å; N64-I367 HydrophobicContact CB-CG2 4.33Å; V65-I367 HydrophobicContact CG1-CG2 3.74Å; V65-I367 HydrophobicContact CG2-CG2 4.49Å; N73-I367 HydrophobicContact CB-CD1 4.21Å; I77-I367 HydrophobicContact CD1-CD1 4.01Å; I77-I367 HydrophobicContact CD1-CG1 4.33Å; I77-I367 HydrophobicContact CG1-CD1 3.6Å; I77-I367 HydrophobicContact CG1-CG1 3.48Å; I77-I367 VanDerWaalsContact CG1-CG1 3.48Å; I367-D369 PolarHBondContact O-N 2.99Å; I367-I370 HydrophobicContact CG1-CD1 3.99Å; I367-I370 WeakPolarHBondContact O-CB 3.43Å; I367-I370 WeakPolarHBondContact O-CG1 3.49Å; I367-I370 PolarHBondContact O-N 2.86Å
368	V	98.9	Very high	98.4	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.012	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-67.5	-16.9	175.7	-67.1	0	0	0	0	113.1	V65 G80 Y82 N366 I370 P372 G387	V65-V368 HydrophobicContact CG1-CG1 4.04Å; G80-V368 WeakPolarHBondContact CA-O 3.36Å; Y82-V368 HydrophobicContact CD1-CG1 4.29Å; Y82-V368 HydrophobicContact CE1-CG1 4.32Å; Y82-V368 HydrophobicContact CE1-CG2 4.48Å; N366-V368 HydrophobicContact CB-CG2 3.94Å; N366-V368 PolarHBondContact O-N 3Å; V368-I370 VanDerWaalsContact C-N 3.28Å; V368-I370 PolarHBondContact O-N 3.12Å; V368-P372 VanDerWaalsContact O-CD 3.23Å; V368-P372 WeakPolarHBondContact O-CD 3.27Å; V368-G387 WeakPolarHBondContact O-CA 3.47Å
369	D	98.9	Very high	98.4	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-78.3	-14.7	178.2	-54.2	-31.4	0	0	0	112.3	N366 I367 P372 M373 G387 T388 H391 T392	N366-D369 WeakPolarHBondContact CB-OD2 3.19Å; N366-D369 PolarHBondContact N-OD2 2.67Å; N366-D369 PolarHBondContact ND2-OD2 3.23Å; N366-D369 WeakPolarHBondContact O-CB 3.45Å; N366-D369 PolarHBondContact O-N 3.06Å; I367-D369 PolarHBondContact O-N 2.99Å; D369-P372 WeakPolarHBondContact O-CD 3.48Å; D369-P372 WeakPolarHBondContact O-CG 3.43Å; D369-M373 PolarHBondContact O-N 3.3Å; D369-G387 WeakPolarHBondContact OD1-CA 3.22Å; D369-T388 PolarHBondContact OD1-N 3.15Å; D369-H391 IonicContact OD1-ND1 2.9Å; D369-H391 WeakPolarHBondContact OD2-CB 3.48Å; D369-H391 IonicContact OD2-CE1 2.65Å; D369-H391 IonicContact OD2-CG 3.77Å; D369-H391 IonicContact OD2-ND1 3.03Å; D369-H391 PolarHBondContact OD2-ND1 3.17Å; D369-T392 HydrophobicContact CB-CG2 4Å
370	I	98.9	Very high	98.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-67.2	-43	179.2	-58.3	171.3	0	0	0	110	I77 L349 I365 I367 V368 M373 M374	I77-I370 HydrophobicContact CG1-CD1 4.35Å; I77-I370 HydrophobicContact CG2-CB 4.47Å; I77-I370 HydrophobicContact CG2-CD1 4.45Å; I77-I370 HydrophobicContact CG2-CG2 4.07Å; L349-I370 HydrophobicContact CD1-CD1 3.68Å; L349-I370 HydrophobicContact CD1-CG1 3.82Å; L349-I370 HydrophobicContact CD1-CG2 4.42Å; I365-I370 HydrophobicContact CD1-CG1 4.04Å; I367-I370 HydrophobicContact CG1-CD1 3.99Å; I367-I370 WeakPolarHBondContact O-CB 3.43Å; I367-I370 WeakPolarHBondContact O-CG1 3.49Å; I367-I370 PolarHBondContact O-N 2.86Å; V368-I370 VanDerWaalsContact C-N 3.28Å; V368-I370 PolarHBondContact O-N 3.12Å; I370-M373 HydrophobicContact CG2-CE 4.1Å; I370-M373 WeakPolarHBondContact O-CB 3.34Å; I370-M373 PolarHBondContact O-N 3.23Å; I370-M374 HydrophobicContact CG2-CE 3.98Å; I370-M374 HydrophobicContact CG2-CG 4.01Å; I370-M374 HydrophobicContact CG2-SD 4.06Å; I370-M374 VanDerWaalsContact O-CG 3.3Å; I370-M374 WeakPolarHBondContact O-CG 3.03Å; I370-M374 PolarHBondContact O-N 2.86Å
371	Y	98.9	Very high	98.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-57.3	-55.5	-179.2	173.3	-100.7	0	0	0	113.9	V78 T79 G80 I119 M373 M374 C375 P382 H383 N385	V78-Y371 WeakPolarHBondContact O-CD2 3.38Å; V78-Y371 WeakPolarHBondContact O-CE2 3.49Å; T79-Y371 VanDerWaalsContact C-CG 3.43Å; T79-Y371 WeakPolarHBondContact O-CD1 3.33Å; G80-Y371 VanDerWaalsContact CA-CB 3.46Å; G80-Y371 VanDerWaalsContact N-CB 3.27Å; I119-Y371 HydrophobicContact CB-CD2 4.03Å; I119-Y371 HydrophobicContact CB-CE2 3.8Å; I119-Y371 HydrophobicContact CD1-CD2 4.46Å; I119-Y371 HydrophobicContact CG1-CE2 4.23Å; Y371-M373 PolarHBondContact O-N 2.71Å; Y371-M374 PolarHBondContact O-N 2.9Å; Y371-M374 VanDerWaalsContact O-N 3.12Å; Y371-C375 VanDerWaalsContact CZ-SG 3.56Å; Y371-C375 PolarHBondContact O-N 3.26Å; Y371-C375 PolarHBondContact O-SG 3.09Å; Y371-P382 HydrophobicContact CD1-CB 4.43Å; Y371-P382 HydrophobicContact CE1-CB 3.66Å; Y371-H383 PolarHBondContact OH-N 2.8Å; Y371-N385 HydrophobicContact CD1-CB 3.98Å; Y371-N385 HydrophobicContact CE1-CB 4.16Å
372	P	98.9	Very high	98.6	Very high	11 Å²	11	30.2 Å²	30.2	7%	0.071	18%	0.175	C	C	.	.	H	α-helix	trans	-63.6	-30	179	24.9	-33.6	0	0	0	112.5	V368 D369 H376 F389	V368-P372 VanDerWaalsContact O-CD 3.23Å; V368-P372 WeakPolarHBondContact O-CD 3.27Å; D369-P372 WeakPolarHBondContact O-CD 3.48Å; D369-P372 WeakPolarHBondContact O-CG 3.43Å; P372-H376 WeakPolarHBondContact O-CB 3.47Å; P372-H376 PolarHBondContact O-N 3Å; P372-F389 HydrophobicContact CB-CB 4.26Å
373	M	98.9	Very high	98.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-63.8	-48	171.5	-177.7	-169.8	67.4	0	0	111.6	I233 F356 D369 I370 Y371 C375 H376 I377 T392 L395 L396	I233-M373 HydrophobicContact CD1-CE 3.52Å; I233-M373 HydrophobicContact CG1-CE 4.44Å; F356-M373 HydrophobicContact CE1-CE 4.45Å; F356-M373 HydrophobicContact CE1-SD 4.05Å; D369-M373 PolarHBondContact O-N 3.3Å; I370-M373 HydrophobicContact CG2-CE 4.1Å; I370-M373 WeakPolarHBondContact O-CB 3.34Å; I370-M373 PolarHBondContact O-N 3.23Å; Y371-M373 PolarHBondContact O-N 2.71Å; M373-C375 VanDerWaalsContact C-N 3.35Å; M373-C375 PolarHBondContact O-N 2.97Å; M373-H376 WeakPolarHBondContact O-CB 3.42Å; M373-H376 PolarHBondContact O-N 3.49Å; M373-I377 HydrophobicContact CG-CD1 4.13Å; M373-I377 WeakPolarHBondContact O-CG1 3.46Å; M373-I377 PolarHBondContact O-N 3.11Å; M373-T392 HydrophobicContact CB-CG2 4.05Å; M373-T392 HydrophobicContact CG-CG2 4.34Å; M373-T392 HydrophobicContact SD-CG2 3.94Å; M373-L395 HydrophobicContact SD-CD1 3.99Å; M373-L396 HydrophobicContact CG-CD1 4.21Å; M373-L396 HydrophobicContact CG-CD2 4.23Å
374	M	98.9	Very high	98.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-63.6	-40.4	177.9	-64.3	-167.7	-68.8	0	0	111.9	L28 L30 I77 I119 F180 I233 I370 Y371 H376 I377 L378	L28-M374 HydrophobicContact CD2-CB 3.67Å; L28-M374 HydrophobicContact CD2-CG 3.56Å; L28-M374 HydrophobicContact CD2-SD 3.81Å; L30-M374 HydrophobicContact CB-SD 4.49Å; L30-M374 HydrophobicContact CD1-SD 4.29Å; L30-M374 HydrophobicContact CD2-CE 4.17Å; L30-M374 HydrophobicContact CD2-SD 3.9Å; L30-M374 HydrophobicContact CG-SD 4.46Å; I77-M374 HydrophobicContact CG2-CE 4.27Å; I77-M374 VanDerWaalsContact O-CE 3.31Å; I77-M374 WeakPolarHBondContact O-CE 3.17Å; I119-M374 HydrophobicContact CD1-CB 3.43Å; I119-M374 VanDerWaalsContact CD1-CB 3.43Å; I119-M374 HydrophobicContact CD1-CE 4.2Å; I119-M374 HydrophobicContact CG2-CE 4.17Å; F180-M374 HydrophobicContact CE2-SD 4.07Å; I233-M374 HydrophobicContact CD1-CG 3.88Å; I233-M374 HydrophobicContact CD1-SD 4.28Å; I370-M374 HydrophobicContact CG2-CE 3.98Å; I370-M374 HydrophobicContact CG2-CG 4.01Å; I370-M374 HydrophobicContact CG2-SD 4.06Å; I370-M374 VanDerWaalsContact O-CG 3.3Å; I370-M374 WeakPolarHBondContact O-CG 3.03Å; I370-M374 PolarHBondContact O-N 2.86Å; Y371-M374 PolarHBondContact O-N 2.9Å; Y371-M374 VanDerWaalsContact O-N 3.12Å; M374-H376 VanDerWaalsContact C-N 3.34Å; M374-H376 PolarHBondContact O-N 3.02Å; M374-I377 PolarHBondContact O-N 2.68Å; M374-L378 WeakPolarHBondContact O-CB 3.35Å; M374-L378 WeakPolarHBondContact O-CG 3.35Å; M374-L378 PolarHBondContact O-N 2.71Å
375	C	98.9	Very high	98.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-60.5	-44	174.7	-70.1	0	0	0	0	111.5	Y371 M373 L378 G379 L380 P382	Y371-C375 VanDerWaalsContact CZ-SG 3.56Å; Y371-C375 PolarHBondContact O-N 3.26Å; Y371-C375 PolarHBondContact O-SG 3.09Å; M373-C375 VanDerWaalsContact C-N 3.35Å; M373-C375 PolarHBondContact O-N 2.97Å; C375-L378 CarbonylContact O-C 3.59Å; C375-L378 PolarHBondContact O-N 2.94Å; C375-G379 PolarHBondContact O-N 3.47Å; C375-L380 HydrophobicContact CB-CB 4.22Å; C375-L380 PolarHBondContact O-N 3.48Å; C375-P382 HydrophobicContact CB-CB 4.03Å
376	H	98.8	Very high	98.8	Very high	66 Å²	66	36.1 Å²	36.1	31%	0.306	21%	0.205	S	C	.	.	H	α-helix	trans	-58.4	-51	175.4	177.7	81.2	0	0	0	111.9	P372 M373 M374 L378 G379 F389 D398 Q399	P372-H376 WeakPolarHBondContact O-CB 3.47Å; P372-H376 PolarHBondContact O-N 3Å; M373-H376 WeakPolarHBondContact O-CB 3.42Å; M373-H376 PolarHBondContact O-N 3.49Å; M374-H376 VanDerWaalsContact C-N 3.34Å; M374-H376 PolarHBondContact O-N 3.02Å; H376-L378 PolarHBondContact O-N 3.45Å; H376-G379 PolarHBondContact O-N 2.84Å; H376-G379 VanDerWaalsContact O-N 3.09Å; H376-F389 HydrophobicContact CB-CD2 4.41Å; H376-F389 HydrophobicContact CB-CE2 3.6Å; H376-F389 HydrophobicContact CB-CZ 3.95Å; H376-F389 AromaticContact CD2-CZ 3.84Å; H376-F389 AromaticContact CG-CE2 3.7Å; H376-F389 AromaticContact CG-CZ 3.54Å; H376-F389 AromaticContact ND1-CZ 3.7Å; H376-D398 IonicContact CE1-OD2 3.62Å; H376-D398 PolarHBondContact CE1-OD2 3.45Å; H376-D398 VanDerWaalsContact CE1-OD2 3.23Å; H376-D398 IonicContact NE2-OD1 3.26Å; H376-D398 PolarHBondContact NE2-OD1 3.06Å; H376-D398 IonicContact NE2-OD2 2.76Å; H376-D398 PolarHBondContact NE2-OD2 2.85Å; H376-Q399 PolarHBondContact CE1-NE2 3.14Å; H376-Q399 VanDerWaalsContact CE1-NE2 3.27Å; H376-Q399 PolarHBondContact NE2-NE2 3.37Å
377	I	98.8	Very high	98.8	Very high	15 Å²	15	34.7 Å²	34.7	8%	0.077	20%	0.201	C	C	.	.	H	α-helix	trans	-55.9	-39.9	178.5	-68.1	165.6	0	0	0	111.4	P26 N231 A355 F356 M373 M374 L396	P26-I377 VanDerWaalsContact CB-O 3.29Å; P26-I377 WeakPolarHBondContact CB-O 3.09Å; P26-I377 VanDerWaalsContact CG-O 3.23Å; P26-I377 WeakPolarHBondContact CG-O 3.02Å; N231-I377 HydrophobicContact CB-CG2 4.26Å; A355-I377 HydrophobicContact CB-CD1 4.46Å; A355-I377 HydrophobicContact CB-CG1 4.01Å; A355-I377 HydrophobicContact CB-CG2 4.17Å; F356-I377 HydrophobicContact CE1-CD1 4.01Å; F356-I377 HydrophobicContact CE2-CD1 4.05Å; F356-I377 HydrophobicContact CZ-CD1 3.42Å; F356-I377 VanDerWaalsContact CZ-CD1 3.42Å; M373-I377 HydrophobicContact CG-CD1 4.13Å; M373-I377 WeakPolarHBondContact O-CG1 3.46Å; M373-I377 PolarHBondContact O-N 3.11Å; M374-I377 PolarHBondContact O-N 2.68Å; I377-L396 HydrophobicContact CD1-CD2 4.04Å; I377-L396 HydrophobicContact CG1-CD2 4.01Å
378	L	98.7	Very high	98.8	Very high	1 Å²	1	38 Å²	38	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-88.2	-3.2	-176.9	-68.1	174.7	0	0	0	114.1	P26 L28 I119 R129 T179 F180 M374 C375 H376 L380	P26-L378 WeakPolarHBondContact O-CD2 3.41Å; L28-L378 HydrophobicContact CB-CD1 4.3Å; L28-L378 HydrophobicContact CB-CD2 3.81Å; L28-L378 HydrophobicContact CB-CG 4.17Å; L28-L378 HydrophobicContact CD2-CD1 4.24Å; L28-L378 HydrophobicContact CD2-CG 4.45Å; I119-L378 HydrophobicContact CD1-CD1 4.23Å; R129-L378 VanDerWaalsContact CZ-O 3.3Å; R129-L378 PolarHBondContact NH1-O 3Å; R129-L378 PolarHBondContact NH2-O 3.05Å; T179-L378 WeakPolarHBondContact O-CD2 3.28Å; F180-L378 HydrophobicContact CB-CD1 4.01Å; F180-L378 HydrophobicContact CD2-CD1 3.8Å; F180-L378 HydrophobicContact CG-CD1 4.23Å; M374-L378 WeakPolarHBondContact O-CB 3.35Å; M374-L378 WeakPolarHBondContact O-CG 3.35Å; M374-L378 PolarHBondContact O-N 2.71Å; C375-L378 CarbonylContact O-C 3.59Å; C375-L378 PolarHBondContact O-N 2.94Å; H376-L378 PolarHBondContact O-N 3.45Å; L378-L380 HydrophobicContact CB-CD1 3.84Å; L378-L380 HydrophobicContact CB-CG 3.76Å; L378-L380 HydrophobicContact CD1-CD1 3.88Å; L378-L380 PolarHBondContact O-N 3.47Å
379	G	98.2	Very high	98.7	Very high	65 Å²	65	40.3 Å²	40.3	67%	0.67	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.8	31.8	-172.8	0	0	0	0	0	113.1	C375 H376	C375-G379 PolarHBondContact O-N 3.47Å; H376-G379 PolarHBondContact O-N 2.84Å; H376-G379 VanDerWaalsContact O-N 3.09Å
380	L	98.5	Very high	98.7	Very high	9 Å²	9	42.3 Å²	42.3	5%	0.047	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-92.7	143	176.4	-60.8	173.8	0	0	0	109.8	I119 T122 N123 Q126 C375 L378 P382	I119-L380 HydrophobicContact CD1-CD1 4.36Å; I119-L380 HydrophobicContact CG1-CD1 3.97Å; T122-L380 HydrophobicContact CG2-CB 4.43Å; N123-L380 HydrophobicContact CB-CD1 3.89Å; Q126-L380 HydrophobicContact CG-CD2 3.57Å; C375-L380 HydrophobicContact CB-CB 4.22Å; C375-L380 PolarHBondContact O-N 3.48Å; L378-L380 HydrophobicContact CB-CD1 3.84Å; L378-L380 HydrophobicContact CB-CG 3.76Å; L378-L380 HydrophobicContact CD1-CD1 3.88Å; L378-L380 PolarHBondContact O-N 3.47Å; L380-P382 VanDerWaalsContact O-CD 3.3Å; L380-P382 WeakPolarHBondContact O-CD 3.3Å
381	K	98.4	Very high	98.6	Very high	185 Å²	185	46.1 Å²	46.1	80%	0.804	27%	0.27	S	S	*	.	P	Polyproline II helix	trans	-74.8	116.2	168.1	-174.4	179.3	179.3	-177.6	0	108.4
382	P	98.5	Very high	98.6	Very high	56 Å²	56	46.1 Å²	46.1	36%	0.364	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-67.1	144.6	177.6	28.2	-33.9	0	0	0	110.6	Y371 C375 L380	Y371-P382 HydrophobicContact CD1-CB 4.43Å; Y371-P382 HydrophobicContact CE1-CB 3.66Å; C375-P382 HydrophobicContact CB-CB 4.03Å; L380-P382 VanDerWaalsContact O-CD 3.3Å; L380-P382 WeakPolarHBondContact O-CD 3.3Å
383	H	98.7	Very high	98.6	Very high	80 Å²	80	49 Å²	49	37%	0.37	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-65.5	159.5	162.4	-74.4	-104.9	0	0	0	109.8	T122 Y371 N385	T122-H383 PolarHBondContact OG1-CD2 2.73Å; Y371-H383 PolarHBondContact OH-N 2.8Å; H383-N385 PolarHBondContact O-N 2.82Å; H383-N385 PolarHBondContact O-ND2 2.95Å
384	P	98.8	Very high	98.5	Very high	121 Å²	121	49.7 Å²	49.7	79%	0.786	29%	0.286	S	S	*	.	S	Bend	trans	-51.8	126.5	168.9	-24.8	34.8	0	0	0	110
385	N	98.9	Very high	98.5	Very high	39 Å²	39	49.7 Å²	49.7	21%	0.209	29%	0.286	C	S	.	.			trans	-145.5	169.4	-174.5	67.7	87.3	0	0	0	110	T79 G80 L81 Y371 H383 G387	T79-N385 WeakPolarHBondContact O-CB 3.18Å; G80-N385 WeakPolarHBondContact O-CB 3.45Å; L81-N385 HydrophobicContact CD2-CB 4.46Å; Y371-N385 HydrophobicContact CD1-CB 3.98Å; Y371-N385 HydrophobicContact CE1-CB 4.16Å; H383-N385 PolarHBondContact O-N 2.82Å; H383-N385 PolarHBondContact O-ND2 2.95Å; N385-G387 WeakPolarHBondContact OD1-CA 3.39Å; N385-G387 PolarHBondContact OD1-N 3.13Å
386	N	98.9	Very high	98.5	Very high	60 Å²	60	49.7 Å²	49.7	32%	0.321	29%	0.286	S	S	.	.	S	Bend	trans	-92.2	-5.2	-178.2	-56.2	117.6	0	0	0	113.1	G80 L81 Y82	G80-N386 WeakPolarHBondContact O-CA 3.48Å; G80-N386 PolarHBondContact O-N 3.26Å; L81-N386 WeakPolarHBondContact CA-OD1 3.45Å; L81-N386 WeakPolarHBondContact CD2-OD1 3.02Å; Y82-N386 HydrophobicContact CD2-CB 3.69Å; Y82-N386 VanDerWaalsContact CD2-CG 3.41Å; Y82-N386 WeakPolarHBondContact CD2-OD1 3.5Å; Y82-N386 HydrophobicContact CE2-CB 3.57Å; Y82-N386 HydrophobicContact CG-CB 4.42Å; Y82-N386 PolarHBondContact N-OD1 3.43Å
387	G	98.7	Very high	98.4	Very high	17 Å²	17	50.1 Å²	50.1	18%	0.175	29%	0.293	C	S	.	.			trans	-70.9	148.7	179	0	0	0	0	0	113.6	G80 V368 D369 N385	G80-G387 PolarHBondContact O-N 2.97Å; V368-G387 WeakPolarHBondContact O-CA 3.47Å; D369-G387 WeakPolarHBondContact OD1-CA 3.22Å; N385-G387 WeakPolarHBondContact OD1-CA 3.39Å; N385-G387 PolarHBondContact OD1-N 3.13Å
388	T	98.7	Very high	98.3	Very high	70 Å²	70	53.8 Å²	53.8	43%	0.429	31%	0.313	S	S	.	.			trans	-111.2	100.8	173.8	-61.4	0	0	0	0	109.6	D369 G390 H391	D369-T388 PolarHBondContact OD1-N 3.15Å; T388-G390 PolarHBondContact O-N 3.17Å; T388-H391 PolarHBondContact O-N 3.11Å
389	F	98.4	Very high	98.2	Very high	51 Å²	51	55.6 Å²	55.6	22%	0.224	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-53.7	-28.2	178.4	179.8	-113.9	0	0	0	113.6	P372 H376 H391 T392 K393 L396 Q399	P372-F389 HydrophobicContact CB-CB 4.26Å; H376-F389 HydrophobicContact CB-CD2 4.41Å; H376-F389 HydrophobicContact CB-CE2 3.6Å; H376-F389 HydrophobicContact CB-CZ 3.95Å; H376-F389 AromaticContact CD2-CZ 3.84Å; H376-F389 AromaticContact CG-CE2 3.7Å; H376-F389 AromaticContact CG-CZ 3.54Å; H376-F389 AromaticContact ND1-CZ 3.7Å; F389-H391 PolarHBondContact O-N 3.34Å; F389-H391 VanDerWaalsContact O-N 3.16Å; F389-T392 PolarHBondContact O-N 2.84Å; F389-T392 VanDerWaalsContact O-N 3.11Å; F389-T392 PolarHBondContact O-OG1 2.02Å; F389-K393 HydrophobicContact CD1-CG 4.35Å; F389-K393 HydrophobicContact CE1-CG 4.11Å; F389-K393 PolarHBondContact O-N 3.44Å; F389-L396 HydrophobicContact CE2-CD1 3.72Å; F389-L396 HydrophobicContact CZ-CD1 3.83Å; F389-Q399 HydrophobicContact CE1-CG 4.37Å; F389-Q399 HydrophobicContact CZ-CG 4.02Å
390	G	97.8	Very high	97.7	Very high	43 Å²	43	62.7 Å²	62.7	44%	0.443	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-54.3	-32.2	175.7	0	0	0	0	0	114.2	T388 T392	T388-G390 PolarHBondContact O-N 3.17Å; G390-T392 VanDerWaalsContact C-N 3.27Å; G390-T392 PolarHBondContact O-N 3.38Å
391	H	98.3	Very high	97.1	Very high	79 Å²	79	64.7 Å²	64.7	37%	0.366	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-71.1	-20.6	-178.9	-59.4	159.2	0	0	0	113.4	I365 D369 T388 F389	I365-H391 HydrophobicContact CG2-CB 4.32Å; I365-H391 WeakPolarHBondContact CG2-O 2.99Å; D369-H391 IonicContact OD1-ND1 2.9Å; D369-H391 WeakPolarHBondContact OD2-CB 3.48Å; D369-H391 IonicContact OD2-CE1 2.65Å; D369-H391 IonicContact OD2-CG 3.77Å; D369-H391 IonicContact OD2-ND1 3.03Å; D369-H391 PolarHBondContact OD2-ND1 3.17Å; T388-H391 PolarHBondContact O-N 3.11Å; F389-H391 PolarHBondContact O-N 3.34Å; F389-H391 VanDerWaalsContact O-N 3.16Å
392	T	98.5	Very high	96	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-103.7	-4.2	-177.7	57.1	0	0	0	0	113.3	I365 D369 M373 F389 G390 C394 L395	I365-T392 HydrophobicContact CD1-CG2 3.97Å; I365-T392 HydrophobicContact CG2-CG2 4.28Å; D369-T392 HydrophobicContact CB-CG2 4Å; M373-T392 HydrophobicContact CB-CG2 4.05Å; M373-T392 HydrophobicContact CG-CG2 4.34Å; M373-T392 HydrophobicContact SD-CG2 3.94Å; F389-T392 PolarHBondContact O-N 2.84Å; F389-T392 VanDerWaalsContact O-N 3.11Å; F389-T392 PolarHBondContact O-OG1 2.02Å; G390-T392 VanDerWaalsContact C-N 3.27Å; G390-T392 PolarHBondContact O-N 3.38Å; T392-C394 VanDerWaalsContact C-N 3.32Å; T392-C394 PolarHBondContact O-N 3.01Å; T392-L395 HydrophobicContact CG2-CD1 4.24Å; T392-L395 WeakPolarHBondContact O-CB 3.27Å; T392-L395 WeakPolarHBondContact O-CG 3.38Å; T392-L395 PolarHBondContact O-N 3.01Å
393	K	97.9	Very high	94.5	Very high	72 Å²	72	62.4 Å²	62.4	31%	0.313	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-55.4	-43	-177.3	-76.2	-173.1	171.4	-174.4	0	113.7	F389 L395 L396 Q399	F389-K393 HydrophobicContact CD1-CG 4.35Å; F389-K393 HydrophobicContact CE1-CG 4.11Å; F389-K393 PolarHBondContact O-N 3.44Å; K393-L395 PolarHBondContact O-N 2.86Å; K393-L395 VanDerWaalsContact O-N 3.07Å; K393-L396 PolarHBondContact O-N 3.07Å; K393-Q399 HydrophobicContact CB-CB 3.97Å; K393-Q399 HydrophobicContact CG-CB 4.12Å; K393-Q399 HydrophobicContact CG-CG 4.31Å; K393-Q399 WeakPolarHBondContact O-CB 3.12Å
394	C	97.6	Very high	92.9	Very high	15 Å²	15	64.6 Å²	64.6	10%	0.101	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-67.3	-7.4	179.1	-71.2	0	0	0	0	114.1	H357 Y360 T392 C401	H357-C394 PolarHBondContact CD2-O 3.06Å; Y360-C394 VanDerWaalsContact CD1-O 3.22Å; Y360-C394 WeakPolarHBondContact CD1-O 3.2Å; Y360-C394 HydrophobicContact CE1-CB 3.74Å; Y360-C394 WeakPolarHBondContact CE1-O 3.28Å; Y360-C394 VanDerWaalsContact OH-CB 3.27Å; Y360-C394 WeakPolarHBondContact OH-CB 3.48Å; T392-C394 VanDerWaalsContact C-N 3.32Å; T392-C394 PolarHBondContact O-N 3.01Å; C394-C401 HydrophobicContact CB-CB 3.84Å; C394-C401 WeakPolarHBondContact CB-SG 3.37Å; C394-C401 WeakPolarHBondContact SG-CA 3.47Å; C394-C401 WeakPolarHBondContact SG-CB 3.46Å; C394-C401 CovalentContact SG-SG 2.05Å; C394-C401 PolarHBondContact SG-SG 3.5Å
395	L	98.4	Very high	91.5	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-85.1	-21.1	173.7	-50.6	179.4	0	0	0	111.8	V57 V59 F356 H357 Y360 H362 M373 T392 K393	V57-L395 HydrophobicContact CB-CD2 4.24Å; V57-L395 HydrophobicContact CG2-CB 4.29Å; V57-L395 HydrophobicContact CG2-CD2 4.21Å; V59-L395 HydrophobicContact CG2-CD1 3.88Å; V59-L395 HydrophobicContact CG2-CD2 4Å; F356-L395 WeakPolarHBondContact CA-O 3.11Å; F356-L395 HydrophobicContact CD1-CB 4.39Å; H357-L395 PolarHBondContact N-O 3.47Å; Y360-L395 HydrophobicContact CD1-CD2 4.11Å; Y360-L395 HydrophobicContact CE1-CD2 4.04Å; H362-L395 HydrophobicContact CB-CD2 3.98Å; M373-L395 HydrophobicContact SD-CD1 3.99Å; T392-L395 HydrophobicContact CG2-CD1 4.24Å; T392-L395 WeakPolarHBondContact O-CB 3.27Å; T392-L395 WeakPolarHBondContact O-CG 3.38Å; T392-L395 PolarHBondContact O-N 3.01Å; K393-L395 PolarHBondContact O-N 2.86Å; K393-L395 VanDerWaalsContact O-N 3.07Å
396	L	98.6	Very high	90.2	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	36%	0.357	C	S	.	.	B	Isolated β-bridge	trans	-109.9	134.1	-164.7	-59.8	174.3	0	0	0	112.8	A355 F356 H357 M373 I377 F389 K393 D398 Q399	A355-L396 VanDerWaalsContact O-CA 3.28Å; A355-L396 WeakPolarHBondContact O-CA 3.34Å; F356-L396 HydrophobicContact CD1-CD2 3.96Å; F356-L396 HydrophobicContact CE1-CD2 3.81Å; H357-L396 PolarHBondContact NE2-O 3.16Å; M373-L396 HydrophobicContact CG-CD1 4.21Å; M373-L396 HydrophobicContact CG-CD2 4.23Å; I377-L396 HydrophobicContact CD1-CD2 4.04Å; I377-L396 HydrophobicContact CG1-CD2 4.01Å; F389-L396 HydrophobicContact CE2-CD1 3.72Å; F389-L396 HydrophobicContact CZ-CD1 3.83Å; K393-L396 PolarHBondContact O-N 3.07Å; L396-D398 VanDerWaalsContact C-N 3.31Å; L396-D398 PolarHBondContact O-N 3.19Å; L396-Q399 HydrophobicContact CB-CB 4.15Å; L396-Q399 HydrophobicContact CB-CG 3.82Å; L396-Q399 HydrophobicContact CD1-CG 3.95Å; L396-Q399 PolarHBondContact O-N 2.88Å
397	V	97.8	Very high	88.9	Confident	75 Å²	75	65.7 Å²	65.7	46%	0.455	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-24.4	-173.8	-59.7	0	0	0	0	114.8	P354 A355 F356 Q399	P354-V397 WeakPolarHBondContact O-CG2 3.34Å; A355-V397 PolarHBondContact O-N 3.44Å; F356-V397 VanDerWaalsContact O-CG1 3.26Å; F356-V397 WeakPolarHBondContact O-CG1 3.45Å; V397-Q399 VanDerWaalsContact C-N 3.34Å
398	D	96.3	Very high	88	Confident	91 Å²	91	69.3 Å²	69.3	49%	0.487	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	1.9	-178.1	72.8	-51.3	0	0	0	112.6	H376 L396	H376-D398 IonicContact CE1-OD2 3.62Å; H376-D398 PolarHBondContact CE1-OD2 3.45Å; H376-D398 VanDerWaalsContact CE1-OD2 3.23Å; H376-D398 IonicContact NE2-OD1 3.26Å; H376-D398 PolarHBondContact NE2-OD1 3.06Å; H376-D398 IonicContact NE2-OD2 2.76Å; H376-D398 PolarHBondContact NE2-OD2 2.85Å; L396-D398 VanDerWaalsContact C-N 3.31Å; L396-D398 PolarHBondContact O-N 3.19Å
399	Q	96.4	Very high	87.1	Confident	40 Å²	40	68.9 Å²	68.9	19%	0.187	37%	0.371	C	S	.	.	S	Bend	trans	-111.7	152	-175.6	-63.6	-58.2	-57.2	0	0	112.4	H376 F389 K393 L396 V397 C401	H376-Q399 PolarHBondContact CE1-NE2 3.14Å; H376-Q399 VanDerWaalsContact CE1-NE2 3.27Å; H376-Q399 PolarHBondContact NE2-NE2 3.37Å; F389-Q399 HydrophobicContact CE1-CG 4.37Å; F389-Q399 HydrophobicContact CZ-CG 4.02Å; K393-Q399 HydrophobicContact CB-CB 3.97Å; K393-Q399 HydrophobicContact CG-CB 4.12Å; K393-Q399 HydrophobicContact CG-CG 4.31Å; K393-Q399 WeakPolarHBondContact O-CB 3.12Å; L396-Q399 HydrophobicContact CB-CB 4.15Å; L396-Q399 HydrophobicContact CB-CG 3.82Å; L396-Q399 HydrophobicContact CD1-CG 3.95Å; L396-Q399 PolarHBondContact O-N 2.88Å; V397-Q399 VanDerWaalsContact C-N 3.34Å; Q399-C401 PolarHBondContact O-N 3.32Å
400	W	87.6	Confident	86.5	Confident	214 Å²	214	71.9 Å²	71.9	81%	0.811	39%	0.389	S	S	*	.			trans	-75.4	119.1	171.6	-61.9	97.5	0	0	0	110.2	I402	W400-I402 HydrophobicContact CB-CG1 4.43Å
401	C	85.9	Confident	86	Confident	51 Å²	51	74 Å²	74	35%	0.345	39%	0.392	S	S	.	.			trans	-89.4	106.5	166.9	-175.2	0	0	0	0	109.4	C394 Q399	C394-C401 HydrophobicContact CB-CB 3.84Å; C394-C401 WeakPolarHBondContact CB-SG 3.37Å; C394-C401 WeakPolarHBondContact SG-CA 3.47Å; C394-C401 WeakPolarHBondContact SG-CB 3.46Å; C394-C401 CovalentContact SG-SG 2.05Å; C394-C401 PolarHBondContact SG-SG 3.5Å; Q399-C401 PolarHBondContact O-N 3.32Å
402	I	75.1	Confident	85.7	Confident	123 Å²	123	73.7 Å²	73.7	63%	0.631	40%	0.396	S	S	*	.			trans	-104	108.1	176.4	-55	174.9	0	0	0	107.8	W400 L404 A407	W400-I402 HydrophobicContact CB-CG1 4.43Å; I402-L404 PolarHBondContact O-N 2.82Å; I402-A407 HydrophobicContact CG2-CB 3.67Å
403	N	66.6	Low	85.3	Confident	70 Å²	70	75.1 Å²	75.1	37%	0.374	41%	0.411	S	S	.	.			trans	-73.6	115.7	165.9	-82.8	-41.6	0	0	0	108.5	P405 E406 A407	N403-P405 VanDerWaalsContact C-N 3.27Å; N403-E406 HydrophobicContact CB-CB 4.07Å; N403-E406 HydrophobicContact CB-CG 3.97Å; N403-E406 WeakPolarHBondContact O-CA 3.42Å; N403-E406 WeakPolarHBondContact O-CB 3.28Å; N403-E406 PolarHBondContact O-N 3.46Å; N403-A407 PolarHBondContact O-N 3.02Å
404	L	66.7	Low	85.1	Confident	125 Å²	125	74.5 Å²	74.5	65%	0.654	42%	0.416	S	S	*	.	H	α-helix	trans	-50.7	-40.4	179.5	-176.9	65.1	0	0	0	113.1	I402 E406 A407 I408	I402-L404 PolarHBondContact O-N 2.82Å; L404-E406 PolarHBondContact O-N 2.91Å; L404-A407 PolarHBondContact O-N 2.72Å; L404-I408 HydrophobicContact CD1-CD1 4.15Å; L404-I408 HydrophobicContact CD1-CG1 4.3Å; L404-I408 HydrophobicContact CG-CD1 3.88Å; L404-I408 HydrophobicContact CG-CG1 4.46Å; L404-I408 WeakPolarHBondContact O-CB 3.35Å; L404-I408 WeakPolarHBondContact O-CG1 3.36Å; L404-I408 PolarHBondContact O-N 3.25Å
405	P	69.6	Low	84.9	Confident	97 Å²	97	78.7 Å²	78.7	63%	0.63	44%	0.437	S	S	*	.	H	α-helix	trans	-62.4	-39.5	174	-22.9	34.5	0	0	0	113.6	N403 I408 A409	N403-P405 VanDerWaalsContact C-N 3.27Å; P405-I408 PolarHBondContact O-N 3.01Å; P405-A409 WeakPolarHBondContact O-CB 3.41Å; P405-A409 PolarHBondContact O-N 2.94Å
406	E	69.9	Low	84.7	Confident	116 Å²	116	83.8 Å²	83.8	54%	0.542	46%	0.463	S	S	.	.	H	α-helix	trans	-68.8	-41.9	177.4	-71	178.7	163.5	0	0	111.1	N403 L404 I408 A409 I410	N403-E406 HydrophobicContact CB-CB 4.07Å; N403-E406 HydrophobicContact CB-CG 3.97Å; N403-E406 WeakPolarHBondContact O-CA 3.42Å; N403-E406 WeakPolarHBondContact O-CB 3.28Å; N403-E406 PolarHBondContact O-N 3.46Å; L404-E406 PolarHBondContact O-N 2.91Å; E406-I408 PolarHBondContact O-N 2.89Å; E406-A409 PolarHBondContact O-N 3.38Å; E406-I410 WeakPolarHBondContact O-CB 3.17Å; E406-I410 WeakPolarHBondContact O-CD1 3.41Å; E406-I410 WeakPolarHBondContact O-CG1 3.31Å; E406-I410 PolarHBondContact O-N 3.38Å
407	A	73.3	Confident	84.5	Confident	30 Å²	30	87.9 Å²	87.9	25%	0.248	49%	0.488	C	S	.	.	H	α-helix	trans	-61.9	-44.2	175	0	0	0	0	0	111.8	I402 N403 L404 A409 I410 V411	I402-A407 HydrophobicContact CG2-CB 3.67Å; N403-A407 PolarHBondContact O-N 3.02Å; L404-A407 PolarHBondContact O-N 2.72Å; A407-A409 VanDerWaalsContact C-N 3.35Å; A407-I410 PolarHBondContact O-N 3.44Å; A407-V411 VanDerWaalsContact O-CG2 3.29Å; A407-V411 WeakPolarHBondContact O-CG2 3.38Å; A407-V411 PolarHBondContact O-N 3.1Å
408	I	78.1	Confident	84.4	Confident	93 Å²	93	89.6 Å²	89.6	48%	0.477	49%	0.494	S	S	.	.	H	α-helix	trans	-60.9	-45.8	174.5	-69.3	167.3	0	0	0	110	L404 P405 E406 I410 V411 V412	L404-I408 HydrophobicContact CD1-CD1 4.15Å; L404-I408 HydrophobicContact CD1-CG1 4.3Å; L404-I408 HydrophobicContact CG-CD1 3.88Å; L404-I408 HydrophobicContact CG-CG1 4.46Å; L404-I408 WeakPolarHBondContact O-CB 3.35Å; L404-I408 WeakPolarHBondContact O-CG1 3.36Å; L404-I408 PolarHBondContact O-N 3.25Å; P405-I408 PolarHBondContact O-N 3.01Å; E406-I408 PolarHBondContact O-N 2.89Å; I408-I410 VanDerWaalsContact C-N 3.35Å; I408-I410 PolarHBondContact O-N 3.41Å; I408-V411 PolarHBondContact O-N 3.26Å; I408-V412 HydrophobicContact CG2-CG2 4.07Å; I408-V412 WeakPolarHBondContact O-CB 3.46Å; I408-V412 VanDerWaalsContact O-CG2 3.25Å; I408-V412 WeakPolarHBondContact O-CG2 3.39Å; I408-V412 PolarHBondContact O-N 2.96Å
409	A	80.9	Confident	84.3	Confident	62 Å²	62	88.7 Å²	88.7	51%	0.512	49%	0.492	S	S	.	.	H	α-helix	trans	-61.3	-41.7	178.3	0	0	0	0	0	112.3	P405 E406 A407 G413	P405-A409 WeakPolarHBondContact O-CB 3.41Å; P405-A409 PolarHBondContact O-N 2.94Å; E406-A409 PolarHBondContact O-N 3.38Å; A407-A409 VanDerWaalsContact C-N 3.35Å; A409-G413 WeakPolarHBondContact O-CA 3.43Å; A409-G413 PolarHBondContact O-N 2.89Å
410	I	85.1	Confident	84.2	Confident	114 Å²	114	90.5 Å²	90.5	59%	0.585	51%	0.506	S	S	*	.	H	α-helix	trans	-63.6	-46	176.3	-69.6	163.5	0	0	0	110.7	E406 A407 I408 S414	E406-I410 WeakPolarHBondContact O-CB 3.17Å; E406-I410 WeakPolarHBondContact O-CD1 3.41Å; E406-I410 WeakPolarHBondContact O-CG1 3.31Å; E406-I410 PolarHBondContact O-N 3.38Å; A407-I410 PolarHBondContact O-N 3.44Å; I408-I410 VanDerWaalsContact C-N 3.35Å; I408-I410 PolarHBondContact O-N 3.41Å; I410-S414 VanDerWaalsContact O-CB 3.28Å; I410-S414 WeakPolarHBondContact O-CB 3.46Å; I410-S414 PolarHBondContact O-N 3.25Å; I410-S414 PolarHBondContact O-OG 2.94Å
411	V	88.3	Confident	84.4	Confident	86 Å²	86	85 Å²	85	52%	0.521	49%	0.492	S	S	.	.	H	α-helix	trans	-66.5	-48	-179.5	171.5	0	0	0	0	111.1	A407 I408 S414 L415	A407-V411 VanDerWaalsContact O-CG2 3.29Å; A407-V411 WeakPolarHBondContact O-CG2 3.38Å; A407-V411 PolarHBondContact O-N 3.1Å; I408-V411 PolarHBondContact O-N 3.26Å; V411-S414 PolarHBondContact O-N 3.28Å; V411-L415 HydrophobicContact CG1-CD1 3.97Å; V411-L415 WeakPolarHBondContact O-CG 3.41Å; V411-L415 PolarHBondContact O-N 2.94Å
412	V	90.6	Very high	84.8	Confident	73 Å²	73	86.1 Å²	86.1	44%	0.442	50%	0.497	S	S	.	.	H	α-helix	trans	-63.2	-44.4	178	173.1	0	0	0	0	110.6	I408 S414 L415 L416	I408-V412 HydrophobicContact CG2-CG2 4.07Å; I408-V412 WeakPolarHBondContact O-CB 3.46Å; I408-V412 VanDerWaalsContact O-CG2 3.25Å; I408-V412 WeakPolarHBondContact O-CG2 3.39Å; I408-V412 PolarHBondContact O-N 2.96Å; V412-S414 VanDerWaalsContact C-N 3.35Å; V412-S414 PolarHBondContact O-N 3.09Å; V412-L415 PolarHBondContact O-N 2.75Å; V412-L416 HydrophobicContact CG1-CD1 4.12Å; V412-L416 WeakPolarHBondContact O-CG 3.22Å; V412-L416 PolarHBondContact O-N 3.13Å
413	G	91.6	Very high	85.5	Confident	31 Å²	31	83.7 Å²	83.7	32%	0.32	49%	0.49	S	S	.	.	H	α-helix	trans	-59.3	-44.8	175.2	0	0	0	0	0	112.2	A409 L415 L416 V417	A409-G413 WeakPolarHBondContact O-CA 3.43Å; A409-G413 PolarHBondContact O-N 2.89Å; G413-L415 PolarHBondContact O-N 3.13Å; G413-L416 PolarHBondContact O-N 2.99Å; G413-V417 WeakPolarHBondContact O-CG2 3.37Å; G413-V417 PolarHBondContact O-N 3.11Å
414	S	91.9	Very high	86.6	Confident	59 Å²	59	85.2 Å²	85.2	41%	0.413	50%	0.498	S	S	.	.	H	α-helix	trans	-63.2	-42.2	177.5	-58.6	0	0	0	0	112	I410 V411 V412 V417 L418	I410-S414 VanDerWaalsContact O-CB 3.28Å; I410-S414 WeakPolarHBondContact O-CB 3.46Å; I410-S414 PolarHBondContact O-N 3.25Å; I410-S414 PolarHBondContact O-OG 2.94Å; V411-S414 PolarHBondContact O-N 3.28Å; V412-S414 VanDerWaalsContact C-N 3.35Å; V412-S414 PolarHBondContact O-N 3.09Å; S414-V417 PolarHBondContact O-N 2.92Å; S414-L418 WeakPolarHBondContact O-CB 3.48Å; S414-L418 WeakPolarHBondContact O-CD1 3.12Å; S414-L418 PolarHBondContact O-N 3Å
415	L	94.1	Very high	87.7	Confident	103 Å²	103	83.2 Å²	83.2	54%	0.539	49%	0.487	S	S	.	.	H	α-helix	trans	-63.4	-39.7	175.5	-79.9	162.4	0	0	0	112.3	V411 V412 G413 L418 T419	V411-L415 HydrophobicContact CG1-CD1 3.97Å; V411-L415 WeakPolarHBondContact O-CG 3.41Å; V411-L415 PolarHBondContact O-N 2.94Å; V412-L415 PolarHBondContact O-N 2.75Å; G413-L415 PolarHBondContact O-N 3.13Å; L415-L418 PolarHBondContact O-N 2.98Å; L415-T419 WeakPolarHBondContact O-CB 3.36Å; L415-T419 VanDerWaalsContact O-CG2 3.31Å; L415-T419 WeakPolarHBondContact O-CG2 3.49Å; L415-T419 PolarHBondContact O-N 3.46Å; L415-T419 PolarHBondContact O-OG1 3.26Å
416	L	94.7	Very high	88.4	Confident	106 Å²	106	82.6 Å²	82.6	56%	0.555	48%	0.478	S	S	*	.	H	α-helix	trans	-64.9	-41.1	175.1	-73	170.4	0	0	0	111.9	V412 G413 T419 T420	V412-L416 HydrophobicContact CG1-CD1 4.12Å; V412-L416 WeakPolarHBondContact O-CG 3.22Å; V412-L416 PolarHBondContact O-N 3.13Å; G413-L416 PolarHBondContact O-N 2.99Å; L416-T419 WeakPolarHBondContact CA-OG1 3.32Å; L416-T419 PolarHBondContact O-OG1 3.22Å; L416-T420 WeakPolarHBondContact O-CB 3.24Å; L416-T420 VanDerWaalsContact O-CG2 3.27Å; L416-T420 WeakPolarHBondContact O-CG2 3.24Å; L416-T420 PolarHBondContact O-N 2.96Å; L416-T420 PolarHBondContact O-OG1 2.93Å
417	V	94.9	Very high	89.1	Confident	87 Å²	87	81.4 Å²	81.4	53%	0.527	47%	0.474	S	S	.	.	H	α-helix	trans	-65.2	-45.2	175.3	173.7	0	0	0	0	111.1	G413 S414 T419 T420 L421	G413-V417 WeakPolarHBondContact O-CG2 3.37Å; G413-V417 PolarHBondContact O-N 3.11Å; S414-V417 PolarHBondContact O-N 2.92Å; V417-T419 PolarHBondContact O-N 2.91Å; V417-T420 WeakPolarHBondContact CA-OG1 3.31Å; V417-T420 PolarHBondContact O-N 3.44Å; V417-T420 PolarHBondContact O-OG1 3.49Å; V417-L421 HydrophobicContact CG1-CD1 4.4Å; V417-L421 WeakPolarHBondContact O-CB 3.4Å; V417-L421 PolarHBondContact O-N 3.07Å
418	L	94.1	Very high	89.4	Confident	110 Å²	110	86 Å²	86	58%	0.576	49%	0.492	S	S	*	.	H	α-helix	trans	-61.4	-45.7	177.6	-85.6	152.6	0	0	0	112	S414 L415 L421 T422	S414-L418 WeakPolarHBondContact O-CB 3.48Å; S414-L418 WeakPolarHBondContact O-CD1 3.12Å; S414-L418 PolarHBondContact O-N 3Å; L415-L418 PolarHBondContact O-N 2.98Å; L418-L421 PolarHBondContact O-N 2.9Å; L418-T422 WeakPolarHBondContact O-CB 3.29Å; L418-T422 PolarHBondContact O-N 2.94Å; L418-T422 PolarHBondContact O-OG1 3.36Å
419	T	94.6	Very high	89.2	Confident	73 Å²	73	87.5 Å²	87.5	45%	0.448	50%	0.497	S	S	.	.	H	α-helix	trans	-65	-41.5	179.4	47.4	0	0	0	0	112.4	L415 L416 V417 T422 C423	L415-T419 WeakPolarHBondContact O-CB 3.36Å; L415-T419 VanDerWaalsContact O-CG2 3.31Å; L415-T419 WeakPolarHBondContact O-CG2 3.49Å; L415-T419 PolarHBondContact O-N 3.46Å; L415-T419 PolarHBondContact O-OG1 3.26Å; L416-T419 WeakPolarHBondContact CA-OG1 3.32Å; L416-T419 PolarHBondContact O-OG1 3.22Å; V417-T419 PolarHBondContact O-N 2.91Å; T419-T422 PolarHBondContact O-N 3.18Å; T419-C423 PolarHBondContact O-N 2.96Å; T419-C423 PolarHBondContact O-SG 3.28Å
420	T	93.8	Very high	88.5	Confident	77 Å²	77	90 Å²	90	47%	0.472	50%	0.502	S	S	.	.	H	α-helix	trans	-64.6	-43	175.3	51.4	0	0	0	0	112.1	L416 V417 T422 C423 L424	L416-T420 WeakPolarHBondContact O-CB 3.24Å; L416-T420 VanDerWaalsContact O-CG2 3.27Å; L416-T420 WeakPolarHBondContact O-CG2 3.24Å; L416-T420 PolarHBondContact O-N 2.96Å; L416-T420 PolarHBondContact O-OG1 2.93Å; V417-T420 WeakPolarHBondContact CA-OG1 3.31Å; V417-T420 PolarHBondContact O-N 3.44Å; V417-T420 PolarHBondContact O-OG1 3.49Å; T420-T422 VanDerWaalsContact C-N 3.32Å; T420-T422 PolarHBondContact O-N 3.03Å; T420-C423 PolarHBondContact O-N 3.34Å; T420-L424 WeakPolarHBondContact O-CG 3.32Å; T420-L424 PolarHBondContact O-N 3.37Å
421	L	93.6	Very high	87.5	Confident	98 Å²	98	94.1 Å²	94.1	51%	0.513	51%	0.51	S	S	.	.	H	α-helix	trans	-59.8	-44	174.5	-124.7	99.3	0	0	0	111.6	V417 L418 C423 L424 I425	V417-L421 HydrophobicContact CG1-CD1 4.4Å; V417-L421 WeakPolarHBondContact O-CB 3.4Å; V417-L421 PolarHBondContact O-N 3.07Å; L418-L421 PolarHBondContact O-N 2.9Å; L421-C423 PolarHBondContact O-N 3.25Å; L421-L424 PolarHBondContact O-N 3.01Å; L421-I425 VanDerWaalsContact O-CG1 3.3Å; L421-I425 WeakPolarHBondContact O-CG1 3.46Å; L421-I425 PolarHBondContact O-N 3.17Å
422	T	92.5	Very high	86	Confident	76 Å²	76	97.3 Å²	97.3	47%	0.466	52%	0.523	S	S	.	.	H	α-helix	trans	-64.1	-42.4	-179.8	-44.2	0	0	0	0	110.9	L418 T419 T420 I425 I426	L418-T422 WeakPolarHBondContact O-CB 3.29Å; L418-T422 PolarHBondContact O-N 2.94Å; L418-T422 PolarHBondContact O-OG1 3.36Å; T419-T422 PolarHBondContact O-N 3.18Å; T420-T422 VanDerWaalsContact C-N 3.32Å; T420-T422 PolarHBondContact O-N 3.03Å; T422-I425 PolarHBondContact O-N 3.49Å; T422-I426 HydrophobicContact CG2-CD1 4.31Å; T422-I426 VanDerWaalsContact O-CG1 3.3Å; T422-I426 WeakPolarHBondContact O-CG1 3.12Å; T422-I426 PolarHBondContact O-N 3.08Å
423	C	90.4	Very high	84.3	Confident	71 Å²	71	97.6 Å²	97.6	48%	0.48	53%	0.529	S	S	.	.	H	α-helix	trans	-62.1	-43.2	174.7	-69.6	0	0	0	0	112.1	T419 T420 L421 I425 I426 I427	T419-C423 PolarHBondContact O-N 2.96Å; T419-C423 PolarHBondContact O-SG 3.28Å; T420-C423 PolarHBondContact O-N 3.34Å; L421-C423 PolarHBondContact O-N 3.25Å; C423-I425 PolarHBondContact O-N 2.93Å; C423-I426 PolarHBondContact O-N 2.91Å; C423-I427 VanDerWaalsContact O-CG1 3.27Å; C423-I427 WeakPolarHBondContact O-CG1 3.31Å; C423-I427 PolarHBondContact O-N 2.98Å
424	L	89.9	Confident	82.6	Confident	103 Å²	103	101.8 Å²	101.8	54%	0.539	55%	0.547	S	S	.	.	H	α-helix	trans	-61.5	-43.5	176.9	-75	167.7	0	0	0	111.7	T420 L421 I426 I427 M428	T420-L424 WeakPolarHBondContact O-CG 3.32Å; T420-L424 PolarHBondContact O-N 3.37Å; L421-L424 PolarHBondContact O-N 3.01Å; L424-I426 PolarHBondContact O-N 3.26Å; L424-I427 PolarHBondContact O-N 3.12Å; L424-M428 WeakPolarHBondContact O-CB 3.41Å; L424-M428 VanDerWaalsContact O-CG 3.29Å; L424-M428 WeakPolarHBondContact O-CG 3.09Å; L424-M428 PolarHBondContact O-N 3.37Å
425	I	89.4	Confident	80.9	Confident	83 Å²	83	104.5 Å²	104.5	43%	0.426	56%	0.564	S	S	.	*	H	α-helix	trans	-60.5	-46	176.2	-68.6	165.7	0	0	0	110.7	L421 T422 C423 I427 M428 Q429	L421-I425 VanDerWaalsContact O-CG1 3.3Å; L421-I425 WeakPolarHBondContact O-CG1 3.46Å; L421-I425 PolarHBondContact O-N 3.17Å; T422-I425 PolarHBondContact O-N 3.49Å; C423-I425 PolarHBondContact O-N 2.93Å; I425-I427 PolarHBondContact O-N 3.33Å; I425-M428 PolarHBondContact O-N 2.76Å; I425-Q429 WeakPolarHBondContact O-CG 3.38Å; I425-Q429 PolarHBondContact O-N 2.63Å
426	I	85.6	Confident	79	Confident	84 Å²	84	110.6 Å²	110.6	43%	0.431	58%	0.58	S	S	.	*	H	α-helix	trans	-61.1	-44.5	177.6	-67.9	165.8	0	0	0	111	T422 C423 L424 M428 Q429 N430	T422-I426 HydrophobicContact CG2-CD1 4.31Å; T422-I426 VanDerWaalsContact O-CG1 3.3Å; T422-I426 WeakPolarHBondContact O-CG1 3.12Å; T422-I426 PolarHBondContact O-N 3.08Å; C423-I426 PolarHBondContact O-N 2.91Å; L424-I426 PolarHBondContact O-N 3.26Å; I426-M428 VanDerWaalsContact C-N 3.35Å; I426-M428 PolarHBondContact O-N 3.43Å; I426-Q429 PolarHBondContact O-N 2.85Å; I426-N430 WeakPolarHBondContact O-CB 3.44Å; I426-N430 PolarHBondContact O-N 2.86Å
427	I	83.2	Confident	76.9	Confident	91 Å²	91	111 Å²	111	47%	0.467	59%	0.588	S	S	.	*	H	α-helix	trans	-63	-41.7	177.9	-68.9	165.8	0	0	0	111	C423 L424 I425 N430 R431	C423-I427 VanDerWaalsContact O-CG1 3.27Å; C423-I427 WeakPolarHBondContact O-CG1 3.31Å; C423-I427 PolarHBondContact O-N 2.98Å; L424-I427 PolarHBondContact O-N 3.12Å; I425-I427 PolarHBondContact O-N 3.33Å; I427-N430 PolarHBondContact O-N 2.82Å; I427-R431 WeakPolarHBondContact O-CG 3.2Å; I427-R431 PolarHBondContact O-N 2.59Å
428	M	78.9	Confident	75	Confident	127 Å²	127	117.2 Å²	117.2	63%	0.626	61%	0.609	S	S	*	*	H	α-helix	trans	-65.2	-40.7	177.5	-73	179.5	68.8	0	0	112.2	L424 I425 I426 R431 L432	L424-M428 WeakPolarHBondContact O-CB 3.41Å; L424-M428 VanDerWaalsContact O-CG 3.29Å; L424-M428 WeakPolarHBondContact O-CG 3.09Å; L424-M428 PolarHBondContact O-N 3.37Å; I425-M428 PolarHBondContact O-N 2.76Å; I426-M428 VanDerWaalsContact C-N 3.35Å; I426-M428 PolarHBondContact O-N 3.43Å; M428-R431 PolarHBondContact O-N 3.3Å; M428-L432 PolarHBondContact O-N 2.86Å
429	Q	74.9	Confident	73	Confident	124 Å²	124	117.2 Å²	117.2	58%	0.579	62%	0.618	S	S	*	*	H	α-helix	trans	-64.9	-38.9	175.5	-73.2	177	-9.1	0	0	112.3	I425 I426 R431 L432 S433	I425-Q429 WeakPolarHBondContact O-CG 3.38Å; I425-Q429 PolarHBondContact O-N 2.63Å; I426-Q429 PolarHBondContact O-N 2.85Å; Q429-R431 VanDerWaalsContact C-N 3.34Å; Q429-R431 PolarHBondContact O-N 3.11Å; Q429-L432 PolarHBondContact O-N 3.11Å; Q429-S433 PolarHBondContact O-OG 2.86Å
430	N	67.1	Low	70.9	Confident	114 Å²	114	125.4 Å²	125.4	61%	0.61	64%	0.641	S	S	*	*	H	α-helix	trans	-72.9	-22.8	176.7	-73.9	-15.5	0	0	0	113.6	I426 I427 S433	I426-N430 WeakPolarHBondContact O-CB 3.44Å; I426-N430 PolarHBondContact O-N 2.86Å; I427-N430 PolarHBondContact O-N 2.82Å; N430-S433 PolarHBondContact O-OG 3.02Å
431	R	62.3	Low	68.5	Low	201 Å²	201	129.5 Å²	129.5	76%	0.758	66%	0.659	S	S	*	*	H	α-helix	trans	-78.5	-21.8	173.3	-79.2	-171	179.2	-146.2	1.7	113.8	I427 M428 Q429 S433	I427-R431 WeakPolarHBondContact O-CG 3.2Å; I427-R431 PolarHBondContact O-N 2.59Å; M428-R431 PolarHBondContact O-N 3.3Å; Q429-R431 VanDerWaalsContact C-N 3.34Å; Q429-R431 PolarHBondContact O-N 3.11Å; R431-S433 VanDerWaalsContact C-N 3.33Å
432	L	57.8	Low	66.3	Low	152 Å²	152	133.9 Å²	133.9	80%	0.796	68%	0.677	S	S	*	*	S	Bend	trans	-83.3	-8.4	178.7	-76.9	161.7	0	0	0	113.5	M428 Q429 V434	M428-L432 PolarHBondContact O-N 2.86Å; Q429-L432 PolarHBondContact O-N 3.11Å; L432-V434 PolarHBondContact O-N 2.8Å
433	S	55.5	Low	64.3	Low	80 Å²	80	138.3 Å²	138.3	56%	0.559	70%	0.697	S	S	*	*			trans	-101.3	47.7	-177.6	33.2	0	0	0	0	112.6	Q429 N430 R431	Q429-S433 PolarHBondContact O-OG 2.86Å; N430-S433 PolarHBondContact O-OG 3.02Å; R431-S433 VanDerWaalsContact C-N 3.33Å
434	V	56.4	Low	62.3	Low	118 Å²	118	144.1 Å²	144.1	72%	0.715	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-87.9	117	163.3	-176.8	0	0	0	0	108	L432 R436	L432-V434 PolarHBondContact O-N 2.8Å; V434-R436 PolarHBondContact O-N 2.8Å
435	P	55.1	Low	60.2	Low	116 Å²	116	148.2 Å²	148.2	75%	0.753	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-68.2	119.9	176.9	-7.7	22.4	0	0	0	109.1
436	R	53.9	Low	58.2	Low	232 Å²	232	151.2 Å²	151.2	88%	0.875	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-65.4	130.3	169.1	-78.2	-176.8	177	179.4	-0.9	108.8	V434 F438	V434-R436 PolarHBondContact O-N 2.8Å; R436-F438 PolarHBondContact O-N 3.27Å
437	P	51.6	Low	56.6	Low	113 Å²	113	155.4 Å²	155.4	73%	0.734	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-66.6	132.1	174.8	25.8	-30.4	0	0	0	110	S439	P437-S439 PolarHBondContact O-N 2.56Å; P437-S439 VanDerWaalsContact O-N 3.13Å
438	F	55	Low	55	Low	218 Å²	218	158 Å²	158	96%	0.956	79%	0.788	S	S	*	*			trans	-58.1	112.8	174.5	-95.5	-94.8	0	0	0	110.1	R436	R436-F438 PolarHBondContact O-N 3.27Å
439	S	52.4	Low	53.5	Low	110 Å²	110	159 Å²	159	77%	0.769	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-90.3	120.4	169.5	-64.2	0	0	0	0	109	P437	P437-S439 PolarHBondContact O-N 2.56Å; P437-S439 VanDerWaalsContact O-N 3.13Å
440	R	48.7	Very low	52.6	Low	246 Å²	246	157.6 Å²	157.6	93%	0.928	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-76.4	123.9	-178.6	-151.7	178.7	-163.9	-179.1	3.4	108.6	Q442	R440-Q442 PolarHBondContact O-N 2.84Å
441	L	44.1	Very low	51.6	Low	163 Å²	163	159.2 Å²	159.2	85%	0.853	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-61.6	122.9	174.1	-91.9	109.3	0	0	0	110.3
442	Q	47.4	Very low	50.8	Low	190 Å²	190	157.2 Å²	157.2	89%	0.888	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-90.1	117	157.3	-95	175.9	-40.8	0	0	107.7	R440	R440-Q442 PolarHBondContact O-N 2.84Å
443	L	50.9	Low	50	Low	169 Å²	169	157 Å²	157	89%	0.885	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-73.5	129.4	164.4	-78.3	152	0	0	0	107.5
444	Q	47.8	Very low	49.7	Very low	192 Å²	192	160.9 Å²	160.9	90%	0.897	86%	0.857	S	S	*	*			trans	-132.5	123.8	162.2	-164.5	153.8	-6.4	0	0	108.2
445	E	46.5	Very low	49.4	Very low	190 Å²	190	163.1 Å²	163.1	89%	0.888	86%	0.864	S	S	*	*			trans	-66.6	150.8	-170.7	-68.8	168.8	147.8	0	0	112.2
446	D	46.7	Very low	49	Very low	146 Å²	146	165.7 Å²	165.7	78%	0.781	87%	0.87	S	S	*	*			trans	-52.1	142.5	171.3	-61.2	-49.9	0	0	0	111.8
447	D	52.1	Low	48.8	Very low	172 Å²	172	161.8 Å²	161.8	92%	0.92	87%	0.87	S	S	*	*			trans	-155.3	124.7	138.2	-101.2	-24.9	0	0	0	109.7
448	D	50.6	Low	48.6	Very low	144 Å²	144	164.9 Å²	164.9	77%	0.77	88%	0.879	S	S	*	*			trans	-74.2	147	-173.3	-74.5	-50.9	0	0	0	113.7
449	D	47.1	Very low	48.2	Very low	150 Å²	150	161.3 Å²	161.3	80%	0.802	87%	0.874	S	S	*	*			trans	69.2	167.4	139.3	-94.9	-8.4	0	0	0	121.2
450	P	55	Low	47.8	Very low	94 Å²	94	165 Å²	165	61%	0.61	88%	0.881	S	S	*	*			cis	-139.7	172.8	-28.4	33.8	-14.7	0	0	0	114.8
451	L	46.7	Very low	47.8	Very low	147 Å²	147	158.8 Å²	158.8	77%	0.77	88%	0.877	S	S	*	*			trans	63	126.7	137.3	-77.2	166.4	0	0	0	124.1
452	I	44.8	Very low	48.1	Very low	159 Å²	159	158.4 Å²	158.4	82%	0.815	88%	0.879	S	S	*	*			trans	82.5	127.3	138	-55.5	161.8	0	0	0	118.9
453	G	41.5	Very low	48.2	Very low	148 Å²	148	155.5 Å²	155.5	100%	1.526	88%	0.879	S	S	*	*			trans	171	0	163.6	0	0	0	0	0	111.6

Retrieved 453 of 453 residues in 1110.8 ms (Link to these results)

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