A0A024RD74_HUMAN Loading...

Testicular tissue protein Li 43

AlphaFold DB (P16562), UniProt , Accession A0A024RD74, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 243 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	58.5	Low	57.5	Low	243 Å²	243	149.5 Å²	149.5	100%	1.197	83%	0.833	S	S	*	*				0	98.7	0	-72.2	-174.6	-100.7	0	0	107.2
2	A	52.4	Low	57.8	Low	103 Å²	103	146.6 Å²	146.6	85%	0.851	82%	0.821	S	S	*	*			trans	-91.7	115.8	-178	0	0	0	0	0	108.9
3	L	53	Low	57.8	Low	171 Å²	171	147.9 Å²	147.9	90%	0.895	82%	0.824	S	S	*	*			trans	-92.5	111	175.8	-82.2	140.2	0	0	0	108.6
4	L	54.8	Low	57.8	Low	158 Å²	158	147.9 Å²	147.9	83%	0.827	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-72	132	166.9	-87.1	121.6	0	0	0	109.5
5	P	64.1	Low	57.6	Low	123 Å²	123	145.5 Å²	145.5	80%	0.799	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-79.2	126.1	173.6	31.7	-29.6	0	0	0	109.7	L7	P5-L7 PolarHBondContact O-N 3.4Å
6	V	62.1	Low	57.4	Low	121 Å²	121	143.6 Å²	143.6	73%	0.733	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-68.2	117.9	173.2	175.5	0	0	0	0	108.8	F8	V6-F8 HydrophobicContact CG1-CD2 4.23Å; V6-F8 HydrophobicContact CG1-CE2 4.22Å; V6-F8 PolarHBondContact O-N 3.31Å
7	L	55.8	Low	56.8	Low	156 Å²	156	144.4 Å²	144.4	82%	0.817	81%	0.814	S	S	*	*			trans	-78.1	104	174.9	-161.7	82.5	0	0	0	109.1	P5 L9	P5-L7 PolarHBondContact O-N 3.4Å; L7-L9 PolarHBondContact O-N 3.26Å
8	F	57.6	Low	56	Low	179 Å²	179	142.6 Å²	142.6	79%	0.785	81%	0.809	S	S	*	*			trans	-76.9	110.5	169.4	-93.1	-89.2	0	0	0	109.5	V6 V10	V6-F8 HydrophobicContact CG1-CD2 4.23Å; V6-F8 HydrophobicContact CG1-CE2 4.22Å; V6-F8 PolarHBondContact O-N 3.31Å; F8-V10 PolarHBondContact O-N 3.39Å
9	L	55.3	Low	55.3	Low	152 Å²	152	140.2 Å²	140.2	80%	0.796	81%	0.808	S	S	*	*			trans	-71.9	106.3	165.3	-98.9	123.3	0	0	0	108.8	L7 T11	L7-L9 PolarHBondContact O-N 3.26Å; L9-T11 PolarHBondContact O-N 3Å
10	V	59.8	Low	54.9	Low	119 Å²	119	142.7 Å²	142.7	72%	0.721	81%	0.813	S	S	*	*			trans	-83.6	102.9	167	178.9	0	0	0	0	107.5	F8 V12	F8-V10 PolarHBondContact O-N 3.39Å; V10-V12 HydrophobicContact CG1-CG2 4.24Å; V10-V12 PolarHBondContact O-N 3.06Å; V10-V12 VanDerWaalsContact O-N 3.13Å
11	T	59.1	Low	54.4	Low	120 Å²	120	138.7 Å²	138.7	74%	0.736	80%	0.803	S	S	*	*			trans	-72	99.2	166.8	31.6	0	0	0	0	108.8	L9 L13	L9-T11 PolarHBondContact O-N 3Å; T11-L13 PolarHBondContact O-N 3.13Å
12	V	60.7	Low	54.7	Low	114 Å²	114	133.8 Å²	133.8	69%	0.691	78%	0.775	S	S	*	*			trans	-70.8	99.4	168.2	-179.9	0	0	0	0	107.6	V10 L14	V10-V12 HydrophobicContact CG1-CG2 4.24Å; V10-V12 PolarHBondContact O-N 3.06Å; V10-V12 VanDerWaalsContact O-N 3.13Å; V12-L14 VanDerWaalsContact C-N 3.3Å; V12-L14 PolarHBondContact O-N 3.42Å
13	L	58.7	Low	56.2	Low	164 Å²	164	131.7 Å²	131.7	86%	0.859	75%	0.749	S	S	*	*			trans	-67.8	92.7	163.7	-80.5	159.1	0	0	0	107.6	T11	T11-L13 PolarHBondContact O-N 3.13Å
14	L	57.4	Low	58	Low	147 Å²	147	128.7 Å²	128.7	77%	0.77	74%	0.74	S	S	*	*			trans	-58.5	128.5	166.5	-84.9	153.3	0	0	0	108.2	V12 S16	V12-L14 VanDerWaalsContact C-N 3.3Å; V12-L14 PolarHBondContact O-N 3.42Å; L14-S16 PolarHBondContact O-N 2.94Å
15	P	55.3	Low	59.9	Low	113 Å²	113	123.5 Å²	123.5	73%	0.734	72%	0.72	S	S	*	*			trans	-60.8	117.1	171.2	23.8	-28.6	0	0	0	107.5	L17	P15-L17 PolarHBondContact O-N 3.05Å
16	S	53.7	Low	61.4	Low	115 Å²	115	118.4 Å²	118.4	80%	0.804	69%	0.685	S	S	*	*			trans	-56.6	103.5	171.2	45.2	0	0	0	0	108.6	L14	L14-S16 PolarHBondContact O-N 2.94Å
17	L	48.1	Very low	63	Low	157 Å²	157	115 Å²	115	82%	0.822	67%	0.665	S	S	*	*			trans	-53.3	131.8	163.1	-79.1	153.1	0	0	0	107.2	P15 A19	P15-L17 PolarHBondContact O-N 3.05Å; L17-A19 PolarHBondContact O-N 2.87Å
18	P	42.5	Very low	64.9	Low	111 Å²	111	110 Å²	110	72%	0.721	65%	0.646	S	S	*	*			trans	-60.6	111.5	171.8	-1.5	12	0	0	0	106.7	E20	P18-E20 PolarHBondContact O-N 2.92Å
19	A	42.8	Very low	66.9	Low	97 Å²	97	102.2 Å²	102.2	80%	0.802	61%	0.612	S	S	*	*	S	Bend	trans	-56.7	100.1	170.5	0	0	0	0	0	107.7	L17 G21	L17-A19 PolarHBondContact O-N 2.87Å; A19-G21 WeakPolarHBondContact O-CA 3.05Å; A19-G21 PolarHBondContact O-N 3.4Å
20	E	45.5	Very low	68.9	Low	191 Å²	191	96.6 Å²	96.6	89%	0.893	58%	0.583	S	S	*	*	S	Bend	trans	33.8	47.1	171.7	-119.1	171.1	173.2	0	0	113.3	P18 K22	P18-E20 PolarHBondContact O-N 2.92Å; E20-K22 VanDerWaalsContact C-N 3.27Å; E20-K22 PolarHBondContact O-N 2.91Å
21	G	45.8	Very low	70.8	Confident	59 Å²	59	91.1 Å²	91.1	61%	0.608	55%	0.55	S	S	*	.			trans	-77.6	82.4	-174.3	0	0	0	0	0	108.1	A19 D23	A19-G21 WeakPolarHBondContact O-CA 3.05Å; A19-G21 PolarHBondContact O-N 3.4Å; G21-D23 PolarHBondContact O-N 3.15Å
22	K	64	Low	72.6	Confident	140 Å²	140	91 Å²	91	61%	0.609	55%	0.549	S	S	*	.			trans	-49.3	118.6	175.3	-74	-179.4	179.2	176.6	0	108.3	E20 T27	E20-K22 VanDerWaalsContact C-N 3.27Å; E20-K22 PolarHBondContact O-N 2.91Å; K22-T27 PolarHBondContact O-OG1 3.16Å
23	D	83.6	Confident	74.4	Confident	58 Å²	58	88 Å²	88	31%	0.31	53%	0.527	S	S	.	.			trans	-37.8	121.7	174.9	174.1	-2	0	0	0	109.8	G21 A25 F26 T27 P104 Y163	G21-D23 PolarHBondContact O-N 3.15Å; D23-A25 PolarHBondContact O-N 3.13Å; D23-A25 WeakPolarHBondContact OD1-CB 3.42Å; D23-A25 PolarHBondContact OD1-N 2.89Å; D23-F26 HydrophobicContact CB-CB 3.96Å; D23-F26 WeakPolarHBondContact O-CB 2.98Å; D23-F26 PolarHBondContact O-N 2.95Å; D23-T27 PolarHBondContact O-N 2.87Å; D23-T27 PolarHBondContact O-OG1 3.39Å; D23-T27 VanDerWaalsContact O-OG1 3.1Å; D23-P104 VanDerWaalsContact OD2-CG 3.26Å; D23-P104 WeakPolarHBondContact OD2-CG 3.2Å; D23-Y163 PolarHBondContact OD2-OH 3.43Å
24	P	91.3	Very high	76.2	Confident	109 Å²	109	84.8 Å²	84.8	71%	0.708	51%	0.51	S	S	*	.	H	α-helix	trans	-53.6	-35	179.9	-27.3	34.9	0	0	0	112.9	T27 A28	P24-T27 PolarHBondContact O-N 2.75Å; P24-A28 PolarHBondContact O-N 2.75Å
25	A	94.3	Very high	78.2	Confident	48 Å²	48	84 Å²	84	40%	0.397	50%	0.503	S	S	.	.	H	α-helix	trans	-68	-42.9	177.1	0	0	0	0	0	111.3	D23 A28 L29 P104	D23-A25 PolarHBondContact O-N 3.13Å; D23-A25 WeakPolarHBondContact OD1-CB 3.42Å; D23-A25 PolarHBondContact OD1-N 2.89Å; A25-A28 PolarHBondContact O-N 2.79Å; A25-L29 WeakPolarHBondContact O-CG 3.47Å; A25-P104 HydrophobicContact CB-CB 3.85Å; A25-P104 HydrophobicContact CB-CG 3.85Å
26	F	95.8	Very high	80.2	Confident	17 Å²	17	78.8 Å²	78.8	8%	0.075	47%	0.469	C	S	.	.	H	α-helix	trans	-63.2	-42.6	172	178.2	-108.9	0	0	0	112.2	D23 A28 L29 L30 I152 Y163	D23-F26 HydrophobicContact CB-CB 3.96Å; D23-F26 WeakPolarHBondContact O-CB 2.98Å; D23-F26 PolarHBondContact O-N 2.95Å; F26-A28 PolarHBondContact O-N 3.15Å; F26-L29 WeakPolarHBondContact O-CB 3.37Å; F26-L29 PolarHBondContact O-N 3.43Å; F26-L30 HydrophobicContact CD1-CD2 4.47Å; F26-L30 HydrophobicContact CE1-CD2 3.79Å; F26-L30 HydrophobicContact CZ-CD2 3.95Å; F26-I152 HydrophobicContact CD2-CD1 4.07Å; F26-I152 HydrophobicContact CE2-CD1 3.77Å; F26-I152 HydrophobicContact CE2-CG1 3.88Å; F26-I152 HydrophobicContact CE2-CG2 4.11Å; F26-I152 HydrophobicContact CZ-CG2 4.32Å; F26-Y163 HydrophobicContact CB-CE1 3.98Å; F26-Y163 AromaticContact CD2-CD1 3.58Å; F26-Y163 HydrophobicContact CD2-CD1 3.58Å; F26-Y163 AromaticContact CD2-CE1 3.61Å; F26-Y163 HydrophobicContact CD2-CE1 3.61Å; F26-Y163 HydrophobicContact CE2-CD1 4.1Å; F26-Y163 HydrophobicContact CE2-CE1 4.43Å; F26-Y163 HydrophobicContact CG-CD1 4.45Å; F26-Y163 HydrophobicContact CG-CE1 4.05Å
27	T	95.8	Very high	82.4	Confident	49 Å²	49	74.9 Å²	74.9	30%	0.301	44%	0.438	S	S	.	.	H	α-helix	trans	-58.5	-41.4	180	-60.7	0	0	0	0	110.6	K22 D23 P24 L29 L30 Q33	K22-T27 PolarHBondContact O-OG1 3.16Å; D23-T27 PolarHBondContact O-N 2.87Å; D23-T27 PolarHBondContact O-OG1 3.39Å; D23-T27 VanDerWaalsContact O-OG1 3.1Å; P24-T27 PolarHBondContact O-N 2.75Å; T27-L29 PolarHBondContact O-N 3.5Å; T27-L29 VanDerWaalsContact O-N 3.15Å; T27-L30 HydrophobicContact CG2-CD1 4.21Å; T27-L30 WeakPolarHBondContact O-CB 3.49Å; T27-L30 WeakPolarHBondContact O-CG 3.38Å; T27-L30 PolarHBondContact O-N 2.04Å; T27-Q33 PolarHBondContact O-NE2 3.24Å
28	A	96.8	Very high	84.8	Confident	51 Å²	51	74.6 Å²	74.6	42%	0.421	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-18.5	176.4	0	0	0	0	0	114.4	P24 A25 F26 V36	P24-A28 PolarHBondContact O-N 2.75Å; A25-A28 PolarHBondContact O-N 2.79Å; F26-A28 PolarHBondContact O-N 3.15Å; A28-V36 WeakPolarHBondContact O-CG2 3.19Å
29	L	98.1	Very high	87.5	Confident	15 Å²	15	72 Å²	72	8%	0.079	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-5.6	-179.6	-59.4	171.9	0	0	0	113.8	A25 F26 T27 T31 P104 T105 W107 I152 Y165	A25-L29 WeakPolarHBondContact O-CG 3.47Å; F26-L29 WeakPolarHBondContact O-CB 3.37Å; F26-L29 PolarHBondContact O-N 3.43Å; T27-L29 PolarHBondContact O-N 3.5Å; T27-L29 VanDerWaalsContact O-N 3.15Å; L29-T31 PolarHBondContact O-N 3.16Å; L29-P104 HydrophobicContact CD1-CB 3.74Å; L29-T105 VanDerWaalsContact CD1-O 3.3Å; L29-T105 WeakPolarHBondContact CD1-O 3.06Å; L29-T105 WeakPolarHBondContact CD2-O 3.25Å; L29-W107 PolarHBondContact O-NE1 3.48Å; L29-I152 HydrophobicContact CB-CD1 3.78Å; L29-I152 HydrophobicContact CD1-CD1 3.93Å; L29-Y165 HydrophobicContact CD1-CE1 4.41Å; L29-Y165 VanDerWaalsContact CD1-OH 3.31Å; L29-Y165 WeakPolarHBondContact CD1-OH 3.41Å
30	L	98.3	Very high	90.2	Very high	34 Å²	34	67.4 Å²	67.4	18%	0.178	37%	0.366	C	S	.	.			trans	-62.5	125.2	-177.3	-66.5	175.7	0	0	0	111.2	F26 T27 T32 Q33 I152	F26-L30 HydrophobicContact CD1-CD2 4.47Å; F26-L30 HydrophobicContact CE1-CD2 3.79Å; F26-L30 HydrophobicContact CZ-CD2 3.95Å; T27-L30 HydrophobicContact CG2-CD1 4.21Å; T27-L30 WeakPolarHBondContact O-CB 3.49Å; T27-L30 WeakPolarHBondContact O-CG 3.38Å; T27-L30 PolarHBondContact O-N 2.04Å; L30-T32 PolarHBondContact O-N 3.18Å; L30-Q33 WeakPolarHBondContact O-CB 3.32Å; L30-Q33 WeakPolarHBondContact O-CG 3.36Å; L30-Q33 PolarHBondContact O-N 3.06Å; L30-I152 HydrophobicContact CD2-CG2 4.15Å
31	T	98.3	Very high	92.7	Very high	4 Å²	4	59.2 Å²	59.2	3%	0.025	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	0.4	-178.3	60.2	0	0	0	0	113.6	L29 Q33 V36 Q37 I40 W63 W107 C150	L29-T31 PolarHBondContact O-N 3.16Å; T31-Q33 PolarHBondContact O-N 2.73Å; T31-V36 HydrophobicContact CG2-CG1 4.08Å; T31-Q37 WeakPolarHBondContact O-CG 3.48Å; T31-Q37 PolarHBondContact O-NE2 3.14Å; T31-I40 HydrophobicContact CG2-CD1 4.04Å; T31-W63 HydrophobicContact CG2-CH2 4.15Å; T31-W107 HydrophobicContact CG2-CH2 4.31Å; T31-W107 HydrophobicContact CG2-CZ2 3.43Å; T31-W107 VanDerWaalsContact CG2-CZ2 3.43Å; T31-C150 VanDerWaalsContact CB-O 3.26Å; T31-C150 WeakPolarHBondContact CB-O 3.34Å; T31-C150 HydrophobicContact CG2-CB 4.27Å; T31-C150 VanDerWaalsContact CG2-O 3.29Å; T31-C150 WeakPolarHBondContact CG2-O 3.5Å; T31-C150 PolarHBondContact OG1-O 3.22Å
32	T	97.4	Very high	95.2	Very high	118 Å²	118	61.3 Å²	61.3	72%	0.724	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-19.1	165.1	55.1	0	0	0	0	112.4	L30	L30-T32 PolarHBondContact O-N 3.18Å
33	Q	98	Very high	96.9	Very high	50 Å²	50	55.8 Å²	55.8	23%	0.234	30%	0.302	C	S	.	.	S	Bend	trans	-85.7	126.8	178.8	-55.9	-170.7	40.2	0	0	111.8	T27 L30 T31 Q35 V36 Q37	T27-Q33 PolarHBondContact O-NE2 3.24Å; L30-Q33 WeakPolarHBondContact O-CB 3.32Å; L30-Q33 WeakPolarHBondContact O-CG 3.36Å; L30-Q33 PolarHBondContact O-N 3.06Å; T31-Q33 PolarHBondContact O-N 2.73Å; Q33-Q35 HydrophobicContact CB-CG 4.15Å; Q33-Q35 PolarHBondContact O-N 2.92Å; Q33-V36 HydrophobicContact CB-CB 4.34Å; Q33-V36 HydrophobicContact CB-CG2 4Å; Q33-V36 WeakPolarHBondContact O-CB 3.3Å; Q33-V36 PolarHBondContact O-N 2.99Å; Q33-V36 VanDerWaalsContact O-N 3.07Å; Q33-Q37 WeakPolarHBondContact O-CG 3Å; Q33-Q37 PolarHBondContact O-N 3.23Å
34	L	98.2	Very high	97.6	Very high	97 Å²	97	53 Å²	53	51%	0.508	29%	0.288	S	S	.	.	H	α-helix	trans	-58.9	-33.3	-179.2	-178.7	60.3	0	0	0	113.4	Q37 R38	L34-Q37 PolarHBondContact O-N 3.05Å; L34-R38 HydrophobicContact CD1-CG 4.5Å; L34-R38 VanDerWaalsContact O-CG 3.32Å; L34-R38 WeakPolarHBondContact O-CG 3.43Å; L34-R38 PolarHBondContact O-N 2.89Å
35	Q	98.3	Very high	98	Very high	131 Å²	131	48.4 Å²	48.4	61%	0.612	26%	0.257	S	S	*	.	H	α-helix	trans	-64.4	-39	177.2	64.2	-163.2	15.4	0	0	112.5	Q33 R38 E39	Q33-Q35 HydrophobicContact CB-CG 4.15Å; Q33-Q35 PolarHBondContact O-N 2.92Å; Q35-R38 PolarHBondContact O-N 3.41Å; Q35-E39 PolarHBondContact O-N 2.98Å
36	V	98.7	Very high	98.2	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.018	26%	0.262	C	S	.	.	H	α-helix	trans	-67.4	-43.9	175.8	172.6	0	0	0	0	110.7	A28 T31 Q33 R38 E39 I40 W107	A28-V36 WeakPolarHBondContact O-CG2 3.19Å; T31-V36 HydrophobicContact CG2-CG1 4.08Å; Q33-V36 HydrophobicContact CB-CB 4.34Å; Q33-V36 HydrophobicContact CB-CG2 4Å; Q33-V36 WeakPolarHBondContact O-CB 3.3Å; Q33-V36 PolarHBondContact O-N 2.99Å; Q33-V36 VanDerWaalsContact O-N 3.07Å; V36-R38 VanDerWaalsContact C-N 3.28Å; V36-R38 PolarHBondContact O-N 3.39Å; V36-E39 WeakPolarHBondContact O-CB 3.39Å; V36-E39 PolarHBondContact O-N 3.2Å; V36-I40 HydrophobicContact CG1-CD1 3.91Å; V36-I40 WeakPolarHBondContact O-CG1 3.46Å; V36-I40 PolarHBondContact O-N 3.33Å; V36-W107 HydrophobicContact CG1-CG 4.27Å
37	Q	98.8	Very high	98.3	Very high	34 Å²	34	50.8 Å²	50.8	16%	0.159	26%	0.26	C	S	.	.	H	α-helix	trans	-58.5	-42.8	176.1	-59	176.4	1.5	0	0	111.4	T31 Q33 L34 V41 W63	T31-Q37 WeakPolarHBondContact O-CG 3.48Å; T31-Q37 PolarHBondContact O-NE2 3.14Å; Q33-Q37 WeakPolarHBondContact O-CG 3Å; Q33-Q37 PolarHBondContact O-N 3.23Å; L34-Q37 PolarHBondContact O-N 3.05Å; Q37-V41 WeakPolarHBondContact O-CG2 3.13Å; Q37-V41 PolarHBondContact O-N 2.82Å; Q37-V41 VanDerWaalsContact O-N 3.1Å; Q37-W63 HydrophobicContact CB-CD2 3.81Å; Q37-W63 HydrophobicContact CB-CE3 4.09Å; Q37-W63 HydrophobicContact CB-CG 4.16Å; Q37-W63 HydrophobicContact CB-CZ2 4.3Å; Q37-W63 HydrophobicContact CB-CZ3 4.44Å; Q37-W63 HydrophobicContact CG-CD2 3.93Å; Q37-W63 VanDerWaalsContact CG-CE2 3.48Å; Q37-W63 HydrophobicContact CG-CE3 4.42Å; Q37-W63 HydrophobicContact CG-CG 4.43Å; Q37-W63 HydrophobicContact CG-CH2 4.12Å; Q37-W63 HydrophobicContact CG-CZ2 3.59Å
38	R	98.7	Very high	98.5	Very high	150 Å²	150	48.5 Å²	48.5	57%	0.566	25%	0.246	S	C	*	.	H	α-helix	trans	-65.7	-43.3	176	-74	172.8	177.6	174.9	-0.7	112.1	L34 Q35 V36 I40 V41 N42	L34-R38 HydrophobicContact CD1-CG 4.5Å; L34-R38 VanDerWaalsContact O-CG 3.32Å; L34-R38 WeakPolarHBondContact O-CG 3.43Å; L34-R38 PolarHBondContact O-N 2.89Å; Q35-R38 PolarHBondContact O-N 3.41Å; V36-R38 VanDerWaalsContact C-N 3.28Å; V36-R38 PolarHBondContact O-N 3.39Å; R38-I40 VanDerWaalsContact C-N 3.35Å; R38-I40 PolarHBondContact O-N 3.43Å; R38-V41 PolarHBondContact O-N 2.83Å; R38-N42 WeakPolarHBondContact O-CB 3.46Å; R38-N42 PolarHBondContact O-N 3.2Å; R38-N42 PolarHBondContact O-ND2 3.07Å
39	E	98.8	Very high	98.6	Very high	57 Å²	57	50.4 Å²	50.4	27%	0.266	25%	0.245	S	C	.	.	H	α-helix	trans	-54.9	-51.8	175.1	-176.7	-168.3	163.3	0	0	110.7	Q35 V36 V41 N42 K43 S108	Q35-E39 PolarHBondContact O-N 2.98Å; V36-E39 WeakPolarHBondContact O-CB 3.39Å; V36-E39 PolarHBondContact O-N 3.2Å; E39-V41 PolarHBondContact O-N 3.07Å; E39-N42 PolarHBondContact O-N 3.04Å; E39-K43 WeakPolarHBondContact O-CB 3.33Å; E39-K43 PolarHBondContact O-N 3.48Å; E39-S108 WeakPolarHBondContact CG-OG 3.22Å; E39-S108 WeakPolarHBondContact OE1-CB 3.25Å; E39-S108 PolarHBondContact OE1-N 3.4Å; E39-S108 PolarHBondContact OE1-OG 3.42Å
40	I	98.9	Very high	98.6	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-58.1	-53.4	-179.1	-67.4	163.4	0	0	0	110.9	T31 V36 R38 N42 K43 H44 W63 W107 I111 V148 C150	T31-I40 HydrophobicContact CG2-CD1 4.04Å; V36-I40 HydrophobicContact CG1-CD1 3.91Å; V36-I40 WeakPolarHBondContact O-CG1 3.46Å; V36-I40 PolarHBondContact O-N 3.33Å; R38-I40 VanDerWaalsContact C-N 3.35Å; R38-I40 PolarHBondContact O-N 3.43Å; I40-N42 PolarHBondContact O-N 3.32Å; I40-K43 PolarHBondContact O-N 2.89Å; I40-H44 PolarHBondContact O-N 2.86Å; I40-H44 VanDerWaalsContact O-N 3.07Å; I40-H44 PolarHBondContact O-ND1 2.84Å; I40-W63 HydrophobicContact CB-CZ3 4.1Å; I40-W63 HydrophobicContact CD1-CH2 3.9Å; I40-W63 HydrophobicContact CD1-CZ3 3.66Å; I40-W63 HydrophobicContact CG1-CZ3 4.5Å; I40-W63 HydrophobicContact CG2-CE3 4.5Å; I40-W63 HydrophobicContact CG2-CZ3 3.94Å; I40-W107 HydrophobicContact CD1-CB 4.47Å; I40-W107 HydrophobicContact CD1-CD2 3.6Å; I40-W107 HydrophobicContact CD1-CE3 3.97Å; I40-W107 HydrophobicContact CD1-CG 3.84Å; I40-W107 HydrophobicContact CD1-CZ2 4.28Å; I40-W107 HydrophobicContact CD1-CZ3 4.46Å; I40-W107 HydrophobicContact CG1-CB 3.77Å; I40-W107 HydrophobicContact CG1-CD2 3.78Å; I40-W107 HydrophobicContact CG1-CE3 4.05Å; I40-W107 HydrophobicContact CG1-CG 3.68Å; I40-I111 HydrophobicContact CB-CD1 4.24Å; I40-I111 HydrophobicContact CG1-CD1 4.22Å; I40-I111 HydrophobicContact CG2-CD1 4.03Å; I40-V148 HydrophobicContact CG2-CG1 4.41Å; I40-C150 HydrophobicContact CD1-CB 4.09Å
41	V	98.9	Very high	98.6	Very high	19 Å²	19	51.5 Å²	51.5	12%	0.115	26%	0.26	C	S	.	.	H	α-helix	trans	-63.8	-42.5	-178.4	170.3	0	0	0	0	111.6	Q37 R38 E39 H44 N45 M61 W63 V148	Q37-V41 WeakPolarHBondContact O-CG2 3.13Å; Q37-V41 PolarHBondContact O-N 2.82Å; Q37-V41 VanDerWaalsContact O-N 3.1Å; R38-V41 PolarHBondContact O-N 2.83Å; E39-V41 PolarHBondContact O-N 3.07Å; V41-H44 PolarHBondContact O-N 3.14Å; V41-N45 WeakPolarHBondContact CG1-ND2 3.3Å; V41-N45 WeakPolarHBondContact O-CB 3.46Å; V41-N45 PolarHBondContact O-N 3.02Å; V41-N45 PolarHBondContact O-ND2 3.43Å; V41-M61 VanDerWaalsContact CG1-O 3.29Å; V41-M61 WeakPolarHBondContact CG1-O 3.37Å; V41-W63 HydrophobicContact CG2-CB 3.83Å; V41-W63 HydrophobicContact CG2-CE3 4.09Å; V41-V148 HydrophobicContact CG2-CG1 4Å
42	N	98.8	Very high	98.5	Very high	103 Å²	103	55.6 Å²	55.6	55%	0.551	29%	0.289	S	S	*	.	H	α-helix	trans	-64.4	-43.7	179.9	-72.6	-16.2	0	0	0	111	R38 E39 I40 N45 E46	R38-N42 WeakPolarHBondContact O-CB 3.46Å; R38-N42 PolarHBondContact O-N 3.2Å; R38-N42 PolarHBondContact O-ND2 3.07Å; E39-N42 PolarHBondContact O-N 3.04Å; I40-N42 PolarHBondContact O-N 3.32Å; N42-N45 PolarHBondContact O-N 2.93Å; N42-E46 WeakPolarHBondContact O-CB 3.31Å; N42-E46 PolarHBondContact O-N 2.64Å
43	K	98.9	Very high	98.6	Very high	24 Å²	24	51.2 Å²	51.2	10%	0.104	26%	0.263	C	S	.	.	H	α-helix	trans	-63.9	-42.5	178.7	-175.1	62.2	-176.4	172.7	0	112	E39 I40 N45 E46 L47 I111	E39-K43 WeakPolarHBondContact O-CB 3.33Å; E39-K43 PolarHBondContact O-N 3.48Å; I40-K43 PolarHBondContact O-N 2.89Å; K43-N45 PolarHBondContact O-N 3.17Å; K43-E46 IonicContact NZ-OE1 2.87Å; K43-E46 PolarHBondContact NZ-OE1 3.27Å; K43-E46 PolarHBondContact O-N 2.91Å; K43-L47 HydrophobicContact CD-CD1 4.36Å; K43-L47 HydrophobicContact CD-CG 4.43Å; K43-L47 HydrophobicContact CG-CD1 4.2Å; K43-L47 VanDerWaalsContact O-CG 3.3Å; K43-L47 WeakPolarHBondContact O-CG 3.35Å; K43-L47 PolarHBondContact O-N 2.9Å; K43-L47 VanDerWaalsContact O-N 3.12Å; K43-I111 HydrophobicContact CB-CD1 4.2Å; K43-I111 HydrophobicContact CB-CG2 4.43Å; K43-I111 HydrophobicContact CG-CB 4.05Å; K43-I111 HydrophobicContact CG-CD1 4.35Å; K43-I111 HydrophobicContact CG-CG2 3.71Å
44	H	98.9	Very high	98.6	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-59.5	-48	173.5	-77.2	80.4	0	0	0	111.4	I40 V41 E46 L47 R48 M61 Y169	I40-H44 PolarHBondContact O-N 2.86Å; I40-H44 VanDerWaalsContact O-N 3.07Å; I40-H44 PolarHBondContact O-ND1 2.84Å; V41-H44 PolarHBondContact O-N 3.14Å; H44-E46 PolarHBondContact O-N 2.89Å; H44-L47 PolarHBondContact O-N 2.88Å; H44-R48 WeakPolarHBondContact O-CB 3.3Å; H44-R48 WeakPolarHBondContact O-CG 3.48Å; H44-R48 PolarHBondContact O-N 3.42Å; H44-M61 HydrophobicContact CB-SD 3.48Å; H44-M61 WeakPolarHBondContact CB-SD 3.43Å; H44-M61 PolarHBondContact CD2-SD 2.88Å; H44-Y169 AromaticContact CD2-CE1 3.81Å; H44-Y169 AromaticContact NE2-CE1 3.37Å; H44-Y169 WeakPolarHBondContact NE2-CE1 3.34Å; H44-Y169 AromaticContact NE2-CZ 3.59Å; H44-Y169 PolarHBondContact NE2-OH 3.5Å
45	N	98.9	Very high	98.6	Very high	12 Å²	12	47.7 Å²	47.7	6%	0.064	25%	0.25	C	S	.	.	H	α-helix	trans	-68	-33.6	-178.9	-76.6	-38.2	0	0	0	113.5	V41 N42 K43 K49 M61 L200	V41-N45 WeakPolarHBondContact CG1-ND2 3.3Å; V41-N45 WeakPolarHBondContact O-CB 3.46Å; V41-N45 PolarHBondContact O-N 3.02Å; V41-N45 PolarHBondContact O-ND2 3.43Å; N42-N45 PolarHBondContact O-N 2.93Å; K43-N45 PolarHBondContact O-N 3.17Å; N45-K49 VanDerWaalsContact O-CG 3.26Å; N45-K49 WeakPolarHBondContact O-CG 3.26Å; N45-K49 PolarHBondContact O-N 3.41Å; N45-K49 VanDerWaalsContact O-N 3.16Å; N45-M61 PolarHBondContact ND2-O 3.04Å; N45-M61 WeakPolarHBondContact OD1-CB 3.26Å; N45-M61 PolarHBondContact OD1-N 3.29Å; N45-L200 HydrophobicContact CB-CD1 3.84Å; N45-L200 WeakPolarHBondContact OD1-CD1 3.4Å
46	E	98.8	Very high	98.7	Very high	108 Å²	108	42 Å²	42	51%	0.505	23%	0.225	S	C	.	.	H	α-helix	trans	-58.4	-52.3	171	178.4	-163.6	124.8	0	0	110.5	N42 K43 H44 K49 A50	N42-E46 WeakPolarHBondContact O-CB 3.31Å; N42-E46 PolarHBondContact O-N 2.64Å; K43-E46 IonicContact NZ-OE1 2.87Å; K43-E46 PolarHBondContact NZ-OE1 3.27Å; K43-E46 PolarHBondContact O-N 2.91Å; H44-E46 PolarHBondContact O-N 2.89Å; E46-K49 PolarHBondContact O-N 2.89Å; E46-A50 PolarHBondContact O-N 3.26Å
47	L	98.8	Very high	98.7	Very high	7 Å²	7	42.5 Å²	42.5	4%	0.037	23%	0.227	C	C	.	.	H	α-helix	trans	-67	-39.6	-178.9	-67.7	173.4	0	0	0	112.6	K43 H44 K49 A50 V51 I111 Y115 L140	K43-L47 HydrophobicContact CD-CD1 4.36Å; K43-L47 HydrophobicContact CD-CG 4.43Å; K43-L47 HydrophobicContact CG-CD1 4.2Å; K43-L47 VanDerWaalsContact O-CG 3.3Å; K43-L47 WeakPolarHBondContact O-CG 3.35Å; K43-L47 PolarHBondContact O-N 2.9Å; K43-L47 VanDerWaalsContact O-N 3.12Å; H44-L47 PolarHBondContact O-N 2.88Å; L47-K49 PolarHBondContact O-N 2.97Å; L47-A50 PolarHBondContact O-N 2.9Å; L47-V51 PolarHBondContact O-N 2.96Å; L47-I111 HydrophobicContact CD1-CG2 3.82Å; L47-Y115 HydrophobicContact CB-CD2 3.73Å; L47-Y115 HydrophobicContact CB-CE2 3.75Å; L47-Y115 HydrophobicContact CB-CG 4.4Å; L47-Y115 HydrophobicContact CD1-CD2 3.84Å; L47-Y115 HydrophobicContact CD1-CG 3.83Å; L47-Y115 HydrophobicContact CD2-CD1 3.76Å; L47-Y115 HydrophobicContact CD2-CD2 3.88Å; L47-Y115 HydrophobicContact CD2-CE1 3.92Å; L47-Y115 HydrophobicContact CD2-CE2 4.03Å; L47-Y115 HydrophobicContact CD2-CG 3.72Å; L47-Y115 HydrophobicContact CG-CD2 4.02Å; L47-Y115 HydrophobicContact CG-CE2 4.34Å; L47-Y115 HydrophobicContact CG-CG 4.19Å; L47-L140 HydrophobicContact CB-CD2 3.86Å; L47-L140 HydrophobicContact CD1-CD1 4Å; L47-L140 HydrophobicContact CD1-CD2 4.09Å
48	R	98.9	Very high	98.7	Very high	2 Å²	2	41 Å²	41	1%	0.008	22%	0.22	C	C	.	.	H	α-helix	trans	-61.8	-30.6	175.4	-73.6	170.5	76	79	-2.4	112.9	H44 M58 L59 L140 W142 Y143 T145 L200	H44-R48 WeakPolarHBondContact O-CB 3.3Å; H44-R48 WeakPolarHBondContact O-CG 3.48Å; H44-R48 PolarHBondContact O-N 3.42Å; R48-M58 HydrophobicContact CB-CG 3.88Å; R48-M58 HydrophobicContact CB-SD 4.21Å; R48-M58 HydrophobicContact CG-CG 4.4Å; R48-M58 HydrophobicContact CG-SD 4.15Å; R48-M58 PolarHBondContact NH2-SD 2.88Å; R48-L59 VanDerWaalsContact CZ-O 3.23Å; R48-L59 PolarHBondContact NE-O 2.97Å; R48-L59 PolarHBondContact NH2-O 3.31Å; R48-L140 PolarHBondContact NH1-O 3Å; R48-W142 PolarHBondContact NH1-O 2.88Å; R48-W142 PolarHBondContact NH2-O 3.25Å; R48-Y143 PolarHBondContact NH2-O 3Å; R48-T145 PolarHBondContact NH2-O 2.97Å; R48-L200 HydrophobicContact CB-CD2 3.96Å
49	K	98.6	Very high	98.7	Very high	90 Å²	90	33.9 Å²	33.9	39%	0.391	19%	0.194	S	C	.	.	H	α-helix	trans	-76.4	-27.3	172.6	-72.3	171.9	-174.4	-171.3	0	113	N45 E46 L47 V51 K198 L200	N45-K49 VanDerWaalsContact O-CG 3.26Å; N45-K49 WeakPolarHBondContact O-CG 3.26Å; N45-K49 PolarHBondContact O-N 3.41Å; N45-K49 VanDerWaalsContact O-N 3.16Å; E46-K49 PolarHBondContact O-N 2.89Å; L47-K49 PolarHBondContact O-N 2.97Å; K49-V51 VanDerWaalsContact C-N 3.35Å; K49-K198 WeakPolarHBondContact CD-O 3.49Å; K49-K198 WeakPolarHBondContact CE-O 3.29Å; K49-K198 PolarHBondContact NZ-O 2.87Å; K49-L200 HydrophobicContact CD-CD1 4.24Å; K49-L200 HydrophobicContact CD-CG 4.29Å; K49-L200 HydrophobicContact CG-CD1 3.89Å; K49-L200 HydrophobicContact CG-CD2 3.86Å; K49-L200 HydrophobicContact CG-CG 3.64Å
50	A	98.1	Very high	98.7	Very high	62 Å²	62	35.2 Å²	35.2	51%	0.512	20%	0.198	S	C	.	.	S	Bend	trans	-89.9	5	-174	0	0	0	0	0	114	E46 L47	E46-A50 PolarHBondContact O-N 3.26Å; L47-A50 PolarHBondContact O-N 2.9Å
51	V	98.5	Very high	98.7	Very high	10 Å²	10	35.3 Å²	35.3	6%	0.061	20%	0.199	C	C	.	.			trans	-61	143.2	-178.1	-61.6	0	0	0	0	112.2	L47 K49 P53 A55 M58 V141 Y183	L47-V51 PolarHBondContact O-N 2.96Å; K49-V51 VanDerWaalsContact C-N 3.35Å; V51-P53 CarbonylContact C-O 3.5Å; V51-P53 CarbonylContact O-C 3.3Å; V51-A55 HydrophobicContact CG2-CB 3.83Å; V51-M58 HydrophobicContact CG1-CE 4.07Å; V51-M58 HydrophobicContact CG2-CE 4.1Å; V51-V141 HydrophobicContact CG1-CB 3.91Å; V51-V141 HydrophobicContact CG1-CG1 3.57Å; V51-Y183 HydrophobicContact CB-CE1 3.93Å; V51-Y183 HydrophobicContact CG1-CE1 4.1Å; V51-Y183 HydrophobicContact CG2-CE1 4.14Å; V51-Y183 HydrophobicContact CG2-CE2 4.21Å
52	S	97.6	Very high	98.6	Very high	91 Å²	91	38.8 Å²	38.8	64%	0.636	21%	0.214	S	C	*	.	S	Bend	trans	-131	121	175.8	-172.6	0	0	0	0	109.2
53	P	98.4	Very high	98.6	Very high	26 Å²	26	36.1 Å²	36.1	17%	0.169	20%	0.196	C	C	.	.	S	Bend	cis	-68.1	160.4	2.3	31.7	-37.3	0	0	0	112.6	V51 Y123 Y183 Q185	V51-P53 CarbonylContact C-O 3.5Å; V51-P53 CarbonylContact O-C 3.3Å; P53-Y123 HydrophobicContact CG-CD1 3.77Å; P53-Y123 HydrophobicContact CG-CD2 4.07Å; P53-Y123 HydrophobicContact CG-CE1 4.21Å; P53-Y123 HydrophobicContact CG-CE2 4.49Å; P53-Y123 HydrophobicContact CG-CG 3.7Å; P53-Y183 HydrophobicContact CG-CE2 4.43Å; P53-Y183 WeakPolarHBondContact O-CE2 3.32Å; P53-Y183 VanDerWaalsContact O-CZ 3.3Å; P53-Y183 PolarHBondContact O-OH 2.95Å; P53-Q185 HydrophobicContact CB-CG 3.89Å; P53-Q185 HydrophobicContact CG-CB 4.3Å; P53-Q185 HydrophobicContact CG-CG 4Å
54	P	98.6	Very high	98.6	Very high	68 Å²	68	35.5 Å²	35.5	44%	0.442	20%	0.195	S	C	.	.	P	Polyproline II helix	trans	-61.4	148.6	179.8	-23.1	34.2	0	0	0	112.9	Q185 G186 P188	P54-Q185 WeakPolarHBondContact O-CA 3.38Å; P54-G186 CarbonylContact C-O 3.51Å; P54-G186 VanDerWaalsContact C-O 3.3Å; P54-G186 WeakPolarHBondContact CB-O 3.19Å; P54-G186 PolarHBondContact O-N 3.1Å; P54-G186 VanDerWaalsContact O-O 3.07Å; P54-P188 HydrophobicContact CB-CG 4.23Å
55	A	98.8	Very high	98.5	Very high	5 Å²	5	45.4 Å²	45.4	4%	0.041	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-103.5	132.3	-177.1	0	0	0	0	0	112.3	V51 M58 Y183 Q184 P188	V51-A55 HydrophobicContact CG2-CB 3.83Å; A55-M58 HydrophobicContact CB-CB 3.82Å; A55-M58 HydrophobicContact CB-CE 3.78Å; A55-Y183 HydrophobicContact CB-CD2 3.35Å; A55-Y183 HydrophobicContact CB-CE2 3.93Å; A55-Y183 HydrophobicContact CB-CG 3.7Å; A55-Q184 CarbonylContact C-O 3.58Å; A55-Q184 VanDerWaalsContact CA-O 3.31Å; A55-Q184 WeakPolarHBondContact CA-O 3.34Å; A55-P188 WeakPolarHBondContact O-CA 3.23Å
56	S	98.7	Very high	98.4	Very high	11 Å²	11	49.5 Å²	49.5	8%	0.077	25%	0.251	C	S	.	.	S	Bend	trans	-84.9	-20.3	177.7	60.8	0	0	0	0	114.6	Q184 T187 C189 A190 G191	S56-Q184 PolarHBondContact N-O 2.78Å; S56-Q184 PolarHBondContact OG-O 3.36Å; S56-T187 VanDerWaalsContact CA-O 3.29Å; S56-T187 WeakPolarHBondContact CA-O 3.4Å; S56-T187 WeakPolarHBondContact CB-O 3.05Å; S56-C189 CarbonylContact O-C 3.6Å; S56-C189 WeakPolarHBondContact O-CA 3.06Å; S56-A190 PolarHBondContact O-N 3.33Å; S56-G191 PolarHBondContact O-N 3.47Å
57	N	98.5	Very high	98.4	Very high	13 Å²	13	44.3 Å²	44.3	7%	0.07	23%	0.227	C	C	.	.	S	Bend	trans	-128.5	19.4	-168.6	70.2	-19	0	0	0	113.9	L59 Y143 Q184 I242	N57-L59 PolarHBondContact O-N 3.17Å; N57-Y143 HydrophobicContact CB-CD2 4.45Å; N57-Y143 WeakPolarHBondContact ND2-CD2 2.92Å; N57-Q184 PolarHBondContact OD1-N 2.82Å; N57-I242 HydrophobicContact CB-CD1 4.09Å; N57-I242 HydrophobicContact CB-CG2 4.47Å; N57-I242 WeakPolarHBondContact O-CG2 3.23Å
58	M	98.8	Very high	98.4	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.01	23%	0.231	C	C	.	.			trans	-71	112.5	-175.5	-172.3	70	70	0	0	111.1	R48 V51 A55 V141 Y183 L200 C201	R48-M58 HydrophobicContact CB-CG 3.88Å; R48-M58 HydrophobicContact CB-SD 4.21Å; R48-M58 HydrophobicContact CG-CG 4.4Å; R48-M58 HydrophobicContact CG-SD 4.15Å; R48-M58 PolarHBondContact NH2-SD 2.88Å; V51-M58 HydrophobicContact CG1-CE 4.07Å; V51-M58 HydrophobicContact CG2-CE 4.1Å; A55-M58 HydrophobicContact CB-CB 3.82Å; A55-M58 HydrophobicContact CB-CE 3.78Å; M58-V141 HydrophobicContact CE-CB 4.18Å; M58-V141 VanDerWaalsContact CE-O 3.29Å; M58-V141 WeakPolarHBondContact CE-O 3.32Å; M58-Y183 HydrophobicContact CE-CD1 3.48Å; M58-Y183 VanDerWaalsContact CE-CD1 3.48Å; M58-Y183 HydrophobicContact CE-CE1 4.25Å; M58-Y183 HydrophobicContact CE-CG 3.68Å; M58-L200 HydrophobicContact CB-CD2 3.94Å; M58-L200 HydrophobicContact CG-CD2 3.52Å; M58-L200 CarbonylContact O-C 3.57Å; M58-L200 WeakPolarHBondContact O-CA 3.45Å; M58-C201 PolarHBondContact O-N 2.81Å
59	L	98.8	Very high	98.4	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-67.6	147.3	176.2	-74.9	170.5	0	0	0	112.2	R48 N57 Y143 Y146 C201 I242	R48-L59 VanDerWaalsContact CZ-O 3.23Å; R48-L59 PolarHBondContact NE-O 2.97Å; R48-L59 PolarHBondContact NH2-O 3.31Å; N57-L59 PolarHBondContact O-N 3.17Å; L59-Y143 VanDerWaalsContact CB-O 3.25Å; L59-Y143 WeakPolarHBondContact CB-O 3.21Å; L59-Y143 WeakPolarHBondContact CG-O 3.47Å; L59-Y143 PolarHBondContact N-O 3.05Å; L59-Y146 HydrophobicContact CD1-CD1 4.19Å; L59-Y146 HydrophobicContact CD1-CG 4.35Å; L59-C201 CarbonylContact C-O 3.41Å; L59-C201 WeakPolarHBondContact CA-O 3.37Å; L59-C201 HydrophobicContact CD2-CB 3.85Å; L59-C201 WeakPolarHBondContact CD2-O 3.48Å; L59-I242 HydrophobicContact CD1-CB 4.09Å; L59-I242 HydrophobicContact CD1-CG2 4.01Å; L59-I242 HydrophobicContact CD2-CB 3.91Å; L59-I242 HydrophobicContact CD2-CG1 4.23Å; L59-I242 HydrophobicContact CD2-CG2 4.4Å; L59-I242 HydrophobicContact CG-CB 3.94Å; L59-I242 HydrophobicContact CG-CG2 3.88Å
60	K	98.8	Very high	98.4	Very high	85 Å²	85	45.1 Å²	45.1	37%	0.37	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-70.6	129.9	167.1	-175	177.5	175.5	-179	0	109.5	D197 L200 C201 T202	K60-D197 HydrophobicContact CD-CB 4.41Å; K60-D197 WeakPolarHBondContact CE-OD2 3.28Å; K60-D197 IonicContact NZ-OD2 2.66Å; K60-D197 PolarHBondContact NZ-OD2 3.02Å; K60-L200 HydrophobicContact CB-CB 3.86Å; K60-L200 HydrophobicContact CB-CD1 4.2Å; K60-L200 HydrophobicContact CG-CD1 4.18Å; K60-C201 PolarHBondContact N-O 3.17Å; K60-T202 HydrophobicContact CB-CG2 4.26Å; K60-T202 HydrophobicContact CD-CG2 4.19Å
61	M	98.7	Very high	98.4	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.015	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-81.5	141.9	177.2	-165.2	170.9	-83.1	0	0	111.1	V41 H44 N45 T145 Y146 V148 Y169	V41-M61 VanDerWaalsContact CG1-O 3.29Å; V41-M61 WeakPolarHBondContact CG1-O 3.37Å; H44-M61 HydrophobicContact CB-SD 3.48Å; H44-M61 WeakPolarHBondContact CB-SD 3.43Å; H44-M61 PolarHBondContact CD2-SD 2.88Å; N45-M61 PolarHBondContact ND2-O 3.04Å; N45-M61 WeakPolarHBondContact OD1-CB 3.26Å; N45-M61 PolarHBondContact OD1-N 3.29Å; M61-T145 HydrophobicContact CE-CG2 3.94Å; M61-Y146 CarbonylContact C-O 3.49Å; M61-Y146 WeakPolarHBondContact CA-O 3.43Å; M61-V148 HydrophobicContact CG-CB 3.98Å; M61-V148 HydrophobicContact CG-CG1 3.69Å; M61-V148 HydrophobicContact SD-CB 3.55Å; M61-V148 VanDerWaalsContact SD-CB 3.55Å; M61-V148 HydrophobicContact SD-CG1 3.55Å; M61-V148 VanDerWaalsContact SD-CG1 3.55Å; M61-V148 HydrophobicContact SD-CG2 4.26Å; M61-Y169 HydrophobicContact CE-CD1 3.96Å; M61-Y169 HydrophobicContact CE-CE1 4.14Å; M61-Y169 HydrophobicContact SD-CE1 4.45Å
62	E	98.5	Very high	98.4	Very high	92 Å²	92	43.7 Å²	43.7	43%	0.43	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	156.2	176.6	64.7	176.1	-162.4	0	0	111.3	Y146 Q147 V148	E62-Y146 HydrophobicContact CG-CD2 4.13Å; E62-Y146 WeakPolarHBondContact CG-O 3.18Å; E62-Y146 PolarHBondContact N-O 3.28Å; E62-Y146 WeakPolarHBondContact OE1-CE2 3.35Å; E62-Q147 HydrophobicContact CG-CG 4.06Å; E62-Q147 WeakPolarHBondContact O-CA 3.43Å; E62-Q147 PolarHBondContact OE1-NE2 3.19Å; E62-V148 PolarHBondContact O-N 3.49Å
63	W	98.7	Very high	98.4	Very high	46 Å²	46	45.7 Å²	45.7	17%	0.174	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	130.5	176.5	-173.1	-99.8	0	0	0	110.8	T31 Q37 I40 V41 T68 V148 C150	T31-W63 HydrophobicContact CG2-CH2 4.15Å; Q37-W63 HydrophobicContact CB-CD2 3.81Å; Q37-W63 HydrophobicContact CB-CE3 4.09Å; Q37-W63 HydrophobicContact CB-CG 4.16Å; Q37-W63 HydrophobicContact CB-CZ2 4.3Å; Q37-W63 HydrophobicContact CB-CZ3 4.44Å; Q37-W63 HydrophobicContact CG-CD2 3.93Å; Q37-W63 VanDerWaalsContact CG-CE2 3.48Å; Q37-W63 HydrophobicContact CG-CE3 4.42Å; Q37-W63 HydrophobicContact CG-CG 4.43Å; Q37-W63 HydrophobicContact CG-CH2 4.12Å; Q37-W63 HydrophobicContact CG-CZ2 3.59Å; I40-W63 HydrophobicContact CB-CZ3 4.1Å; I40-W63 HydrophobicContact CD1-CH2 3.9Å; I40-W63 HydrophobicContact CD1-CZ3 3.66Å; I40-W63 HydrophobicContact CG1-CZ3 4.5Å; I40-W63 HydrophobicContact CG2-CE3 4.5Å; I40-W63 HydrophobicContact CG2-CZ3 3.94Å; V41-W63 HydrophobicContact CG2-CB 3.83Å; V41-W63 HydrophobicContact CG2-CE3 4.09Å; W63-T68 HydrophobicContact CZ2-CG2 3.67Å; W63-T68 WeakPolarHBondContact CZ2-OG1 3.29Å; W63-T68 PolarHBondContact NE1-OG1 2.85Å; W63-V148 CarbonylContact C-O 3.38Å; W63-V148 WeakPolarHBondContact CA-O 3.22Å; W63-V148 HydrophobicContact CE3-CG1 4.33Å; W63-C150 HydrophobicContact CH2-CB 4Å; W63-C150 VanDerWaalsContact CH2-N 3.35Å; W63-C150 HydrophobicContact CZ3-CB 4.27Å
64	S	98.2	Very high	98.5	Very high	12 Å²	12	45.3 Å²	45.3	8%	0.084	21%	0.21	C	C	.	.			trans	-115.8	122.8	174.5	178.3	0	0	0	0	112.2	V67 T68 V148	S64-V67 PolarHBondContact O-N 3.39Å; S64-V67 WeakPolarHBondContact OG-CG2 3.5Å; S64-T68 WeakPolarHBondContact O-CB 3.49Å; S64-T68 PolarHBondContact O-N 3.04Å; S64-T68 PolarHBondContact O-OG1 3.1Å; S64-V148 PolarHBondContact N-O 3.41Å
65	R	97.6	Very high	98.5	Very high	207 Å²	207	42.1 Å²	42.1	78%	0.781	19%	0.189	S	C	*	.	H	α-helix	trans	-66.3	-36.8	177.7	-67.6	-174.7	177.3	-150.2	-0.2	112.5	T68 T69	R65-T68 PolarHBondContact O-N 3.18Å; R65-T69 PolarHBondContact O-N 3.16Å; R65-T69 PolarHBondContact O-OG1 3.45Å
66	E	96.9	Very high	98.4	Very high	98 Å²	98	46.8 Å²	46.8	46%	0.458	21%	0.214	S	C	.	.	H	α-helix	trans	-64	-47.8	178.3	-167.4	-175.5	172.2	0	0	110.2	T68 T69 N70 T90	E66-T68 VanDerWaalsContact C-N 3.34Å; E66-T68 PolarHBondContact O-N 3.29Å; E66-T69 WeakPolarHBondContact O-CB 3.26Å; E66-T69 PolarHBondContact O-N 3.03Å; E66-T69 VanDerWaalsContact O-N 3.16Å; E66-N70 PolarHBondContact O-N 2.97Å; E66-T90 HydrophobicContact CB-CG2 4.29Å; E66-T90 VanDerWaalsContact CD-CB 3.41Å; E66-T90 HydrophobicContact CG-CG2 3.74Å; E66-T90 VanDerWaalsContact OE1-CA 3.22Å; E66-T90 WeakPolarHBondContact OE1-CA 3.1Å; E66-T90 WeakPolarHBondContact OE1-CB 3.44Å
67	V	98.4	Very high	98.4	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.1	-41.3	177.6	-174.6	0	0	0	0	111.5	S64 T69 N70 A71 T90 Q168 C170	S64-V67 PolarHBondContact O-N 3.39Å; S64-V67 WeakPolarHBondContact OG-CG2 3.5Å; V67-T69 VanDerWaalsContact C-N 3.28Å; V67-T69 PolarHBondContact O-N 2.84Å; V67-N70 PolarHBondContact O-N 3.07Å; V67-A71 WeakPolarHBondContact O-CB 3.5Å; V67-A71 PolarHBondContact O-N 3.38Å; V67-T90 HydrophobicContact CG2-CG2 3.9Å; V67-Q168 HydrophobicContact CG1-CB 3.52Å; V67-Q168 VanDerWaalsContact CG1-O 3.25Å; V67-Q168 WeakPolarHBondContact CG1-O 3.37Å; V67-C170 HydrophobicContact CG2-CB 4.29Å; V67-C170 WeakPolarHBondContact CG2-SG 3.4Å
68	T	98.5	Very high	98.3	Very high	18 Å²	18	51.9 Å²	51.9	11%	0.11	24%	0.237	C	C	.	.	H	α-helix	trans	-59.2	-39.8	175.5	-61.4	0	0	0	0	111.9	W63 S64 R65 E66 N70 A71 Q72 G149 C150	W63-T68 HydrophobicContact CZ2-CG2 3.67Å; W63-T68 WeakPolarHBondContact CZ2-OG1 3.29Å; W63-T68 PolarHBondContact NE1-OG1 2.85Å; S64-T68 WeakPolarHBondContact O-CB 3.49Å; S64-T68 PolarHBondContact O-N 3.04Å; S64-T68 PolarHBondContact O-OG1 3.1Å; R65-T68 PolarHBondContact O-N 3.18Å; E66-T68 VanDerWaalsContact C-N 3.34Å; E66-T68 PolarHBondContact O-N 3.29Å; T68-N70 VanDerWaalsContact C-N 3.33Å; T68-N70 PolarHBondContact O-N 2.68Å; T68-A71 PolarHBondContact O-N 3.17Å; T68-Q72 VanDerWaalsContact O-CB 3.31Å; T68-Q72 WeakPolarHBondContact O-CB 3.43Å; T68-Q72 PolarHBondContact O-N 2.67Å; T68-G149 VanDerWaalsContact OG1-CA 3.25Å; T68-G149 WeakPolarHBondContact OG1-CA 3.27Å; T68-C150 WeakPolarHBondContact CG2-O 3.4Å
69	T	98.2	Very high	98.2	Very high	78 Å²	78	54.1 Å²	54.1	48%	0.479	25%	0.251	S	S	.	.	H	α-helix	trans	-63	-42.9	-179.7	-58.6	0	0	0	0	111	R65 E66 V67 R73	R65-T69 PolarHBondContact O-N 3.16Å; R65-T69 PolarHBondContact O-OG1 3.45Å; E66-T69 WeakPolarHBondContact O-CB 3.26Å; E66-T69 PolarHBondContact O-N 3.03Å; E66-T69 VanDerWaalsContact O-N 3.16Å; V67-T69 VanDerWaalsContact C-N 3.28Å; V67-T69 PolarHBondContact O-N 2.84Å; T69-R73 WeakPolarHBondContact O-CB 3.43Å; T69-R73 PolarHBondContact O-N 3.44Å
70	N	98.4	Very high	98.2	Very high	19 Å²	19	55.6 Å²	55.6	10%	0.102	26%	0.259	C	S	.	.	H	α-helix	trans	-66.7	-49.2	176	-71.3	-11.9	0	0	0	111.7	E66 V67 T68 Q72 R73 W74 K89	E66-N70 PolarHBondContact O-N 2.97Å; V67-N70 PolarHBondContact O-N 3.07Å; T68-N70 VanDerWaalsContact C-N 3.33Å; T68-N70 PolarHBondContact O-N 2.68Å; N70-Q72 PolarHBondContact O-N 3.38Å; N70-R73 WeakPolarHBondContact O-CB 3.47Å; N70-R73 PolarHBondContact O-N 2.78Å; N70-W74 PolarHBondContact O-N 3Å; N70-K89 PolarHBondContact ND2-O 3.18Å
71	A	98.8	Very high	98.1	Very high	0 Å²	0	58 Å²	58	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-58.5	-44.5	178.9	0	0	0	0	0	112.5	V67 T68 W74 A75 G149 V166 Q168	V67-A71 WeakPolarHBondContact O-CB 3.5Å; V67-A71 PolarHBondContact O-N 3.38Å; T68-A71 PolarHBondContact O-N 3.17Å; A71-W74 PolarHBondContact O-N 2.96Å; A71-A75 WeakPolarHBondContact O-CB 3.22Å; A71-A75 PolarHBondContact O-N 2.79Å; A71-G149 WeakPolarHBondContact CB-O 3.31Å; A71-V166 HydrophobicContact CB-CB 4.43Å; A71-V166 HydrophobicContact CB-CG1 4.03Å; A71-Q168 HydrophobicContact CB-CB 4.35Å; A71-Q168 HydrophobicContact CB-CG 4.04Å
72	Q	98.8	Very high	98.1	Very high	43 Å²	43	62.4 Å²	62.4	20%	0.201	29%	0.292	C	S	.	.	H	α-helix	trans	-67.8	-38.8	177	-172.6	63.5	61.5	0	0	112.4	T68 N70 W74 A75 N76 I152	T68-Q72 VanDerWaalsContact O-CB 3.31Å; T68-Q72 WeakPolarHBondContact O-CB 3.43Å; T68-Q72 PolarHBondContact O-N 2.67Å; N70-Q72 PolarHBondContact O-N 3.38Å; Q72-W74 VanDerWaalsContact C-N 3.27Å; Q72-W74 PolarHBondContact O-N 2.04Å; Q72-A75 PolarHBondContact O-N 2.68Å; Q72-N76 PolarHBondContact NE2-OD1 3.34Å; Q72-N76 WeakPolarHBondContact O-CB 3.38Å; Q72-N76 PolarHBondContact O-N 2.83Å; Q72-N76 PolarHBondContact O-ND2 3.04Å; Q72-N76 PolarHBondContact O-OD1 2.78Å; Q72-I152 PolarHBondContact NE2-O 2.86Å; Q72-I152 VanDerWaalsContact OE1-N 3.09Å
73	R	98.4	Very high	98.1	Very high	132 Å²	132	58.3 Å²	58.3	50%	0.498	27%	0.273	S	S	.	.	H	α-helix	trans	-58.3	-43.2	173.8	-175.5	-169.7	-60.5	156.6	4.6	110.7	T69 N70	T69-R73 WeakPolarHBondContact O-CB 3.43Å; T69-R73 PolarHBondContact O-N 3.44Å; N70-R73 WeakPolarHBondContact O-CB 3.47Å; N70-R73 PolarHBondContact O-N 2.78Å
74	W	98.6	Very high	98	Very high	19 Å²	19	61.1 Å²	61.1	7%	0.072	29%	0.292	C	S	.	.	H	α-helix	trans	-69.7	-45.8	178.2	-172.3	-113.3	0	0	0	112.6	N70 A71 Q72 N76 K77 T79 Q81 H82 S83 D87 Y164	N70-W74 PolarHBondContact O-N 3Å; A71-W74 PolarHBondContact O-N 2.96Å; Q72-W74 VanDerWaalsContact C-N 3.27Å; Q72-W74 PolarHBondContact O-N 2.04Å; W74-N76 PolarHBondContact O-N 2.99Å; W74-K77 HydrophobicContact CD2-CD 4.37Å; W74-K77 HydrophobicContact CE3-CD 3.55Å; W74-K77 HydrophobicContact CH2-CD 4.41Å; W74-K77 HydrophobicContact CZ3-CD 3.59Å; W74-K77 VanDerWaalsContact CZ3-NZ 3.3Å; W74-K77 WeakPolarHBondContact O-CB 3.38Å; W74-K77 PolarHBondContact O-N 2.02Å; W74-T79 HydrophobicContact CH2-CG2 4.38Å; W74-T79 HydrophobicContact CZ2-CG2 4.26Å; W74-T79 VanDerWaalsContact CZ2-OG1 3.3Å; W74-T79 WeakPolarHBondContact CZ2-OG1 3.18Å; W74-Q81 WeakPolarHBondContact CZ2-O 3.39Å; W74-Q81 PolarHBondContact NE1-O 3.15Å; W74-H82 WeakPolarHBondContact CZ2-O 3.49Å; W74-S83 VanDerWaalsContact CE2-CB 3.5Å; W74-D87 HydrophobicContact CE3-CB 4.37Å; W74-D87 WeakPolarHBondContact CZ3-OD2 3.22Å; W74-Y164 PolarHBondContact NE1-OH 2.95Å; W74-Y164 VanDerWaalsContact NE1-OH 3.16Å
75	A	98.6	Very high	97.9	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-53.3	-43.6	176.7	0	0	0	0	0	111.4	A71 Q72 K77 C78 A153 V166	A71-A75 WeakPolarHBondContact O-CB 3.22Å; A71-A75 PolarHBondContact O-N 2.79Å; Q72-A75 PolarHBondContact O-N 2.68Å; A75-K77 PolarHBondContact O-N 3.07Å; A75-K77 VanDerWaalsContact O-N 3.15Å; A75-C78 PolarHBondContact O-N 3.27Å; A75-A153 VanDerWaalsContact C-CB 3.47Å; A75-A153 HydrophobicContact CB-CB 4.05Å; A75-A153 WeakPolarHBondContact O-CB 3.41Å; A75-V166 HydrophobicContact CB-CB 4.27Å; A75-V166 HydrophobicContact CB-CG2 3.69Å
76	N	98.2	Very high	97.8	Very high	104 Å²	104	61.3 Å²	61.3	56%	0.556	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-20.1	178.8	-69.8	-13.5	0	0	0	114.3	Q72 W74 C78	Q72-N76 PolarHBondContact NE2-OD1 3.34Å; Q72-N76 WeakPolarHBondContact O-CB 3.38Å; Q72-N76 PolarHBondContact O-N 2.83Å; Q72-N76 PolarHBondContact O-ND2 3.04Å; Q72-N76 PolarHBondContact O-OD1 2.78Å; W74-N76 PolarHBondContact O-N 2.99Å; N76-C78 PolarHBondContact O-N 2.63Å
77	K	97.9	Very high	97.8	Very high	101 Å²	101	58.5 Å²	58.5	44%	0.439	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-16	174.9	-62.7	-174.6	-176	173.4	0	112.1	W74 A75 T79 D87	W74-K77 HydrophobicContact CD2-CD 4.37Å; W74-K77 HydrophobicContact CE3-CD 3.55Å; W74-K77 HydrophobicContact CH2-CD 4.41Å; W74-K77 HydrophobicContact CZ3-CD 3.59Å; W74-K77 VanDerWaalsContact CZ3-NZ 3.3Å; W74-K77 WeakPolarHBondContact O-CB 3.38Å; W74-K77 PolarHBondContact O-N 2.02Å; A75-K77 PolarHBondContact O-N 3.07Å; A75-K77 VanDerWaalsContact O-N 3.15Å; K77-T79 HydrophobicContact CB-CG2 3.88Å; K77-T79 PolarHBondContact O-N 2.85Å; K77-T79 VanDerWaalsContact O-N 3.16Å; K77-D87 IonicContact NZ-OD1 3.93Å; K77-D87 IonicContact NZ-OD2 2.89Å; K77-D87 PolarHBondContact NZ-OD2 2.87Å
78	C	97.6	Very high	97.7	Very high	30 Å²	30	60.4 Å²	60.4	20%	0.203	30%	0.302	C	S	.	.			trans	52.3	37.3	176.6	-76.8	0	0	0	0	114.3	A75 N76 L80 C155 Q158	A75-C78 PolarHBondContact O-N 3.27Å; N76-C78 PolarHBondContact O-N 2.63Å; C78-L80 WeakPolarHBondContact O-CD1 3.45Å; C78-C155 WeakPolarHBondContact CA-SG 3.45Å; C78-C155 HydrophobicContact CB-CB 3.62Å; C78-C155 WeakPolarHBondContact CB-SG 3.35Å; C78-C155 WeakPolarHBondContact SG-CA 3.45Å; C78-C155 WeakPolarHBondContact SG-CB 3.36Å; C78-C155 CovalentContact SG-SG 2.04Å; C78-C155 PolarHBondContact SG-SG 3.27Å; C78-Q158 PolarHBondContact O-NE2 3.33Å
79	T	96.7	Very high	97.5	Very high	48 Å²	48	64.9 Å²	64.9	29%	0.294	32%	0.321	S	S	.	.			trans	-81.2	-22.8	-178.7	55.6	0	0	0	0	113.5	W74 K77 Q81	W74-T79 HydrophobicContact CH2-CG2 4.38Å; W74-T79 HydrophobicContact CZ2-CG2 4.26Å; W74-T79 VanDerWaalsContact CZ2-OG1 3.3Å; W74-T79 WeakPolarHBondContact CZ2-OG1 3.18Å; K77-T79 HydrophobicContact CB-CG2 3.88Å; K77-T79 PolarHBondContact O-N 2.85Å; K77-T79 VanDerWaalsContact O-N 3.16Å; T79-Q81 PolarHBondContact O-N 3.15Å; T79-Q81 PolarHBondContact OG1-O 3.27Å
80	L	97.2	Very high	97.3	Very high	32 Å²	32	62 Å²	62	17%	0.168	30%	0.303	C	S	.	.			trans	56.3	29.5	-173.9	-74.5	58.8	0	0	0	112.5	C78 M100 Q158 Y164	C78-L80 WeakPolarHBondContact O-CD1 3.45Å; L80-M100 HydrophobicContact CB-CE 4.36Å; L80-M100 HydrophobicContact CG-CG 4.09Å; L80-Q158 HydrophobicContact CD1-CG 3.75Å; L80-Q158 HydrophobicContact CD2-CB 4.47Å; L80-Q158 HydrophobicContact CD2-CG 3.91Å; L80-Y164 HydrophobicContact CD1-CD1 4.37Å; L80-Y164 HydrophobicContact CD1-CG 4.29Å
81	Q	97.8	Very high	96.8	Very high	137 Å²	137	66 Å²	66	64%	0.64	33%	0.332	S	S	*	.	S	Bend	trans	-137.2	156.1	-178.1	-68.5	176.8	5.7	0	0	110.3	W74 T79 L98 Y164	W74-Q81 WeakPolarHBondContact CZ2-O 3.39Å; W74-Q81 PolarHBondContact NE1-O 3.15Å; T79-Q81 PolarHBondContact O-N 3.15Å; T79-Q81 PolarHBondContact OG1-O 3.27Å; Q81-L98 VanDerWaalsContact C-CD1 3.42Å; Q81-Y164 PolarHBondContact O-OH 3.29Å
82	H	98.4	Very high	96.4	Very high	95 Å²	95	67.1 Å²	67.1	44%	0.44	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-56.8	143.3	174.6	-82.8	-63	0	0	0	112.1	W74 E96 L98	W74-H82 WeakPolarHBondContact CZ2-O 3.49Å; H82-E96 VanDerWaalsContact CA-OE1 3.3Å; H82-E96 WeakPolarHBondContact CA-OE1 3.44Å; H82-E96 PolarHBondContact CE1-O 3.17Å; H82-E96 IonicContact CE1-OE1 3.9Å; H82-E96 IonicContact CG-OE1 2.68Å; H82-E96 IonicContact ND1-OE1 3.77Å; H82-E96 PolarHBondContact ND1-OE1 2.61Å; H82-L98 HydrophobicContact CB-CD1 4.39Å
83	S	98.4	Very high	96.2	Very high	5 Å²	5	73.2 Å²	73.2	4%	0.035	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-69.7	154.9	172.3	51.7	0	0	0	0	112.1	W74 R88 E96	W74-S83 VanDerWaalsContact CE2-CB 3.5Å; S83-R88 PolarHBondContact O-NH1 2.78Å; S83-R88 VanDerWaalsContact O-NH1 3.07Å; S83-R88 PolarHBondContact O-NH2 3.19Å; S83-R88 WeakPolarHBondContact OG-CD 3.09Å; S83-R88 WeakPolarHBondContact OG-CG 3.06Å; S83-R88 PolarHBondContact OG-NH1 3.48Å; S83-E96 PolarHBondContact N-OE1 3.25Å; S83-E96 PolarHBondContact OG-OE1 2.85Å; S83-E96 PolarHBondContact OG-OE2 3.03Å
84	D	97.5	Very high	96.1	Very high	106 Å²	106	67.3 Å²	67.3	57%	0.567	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-64.1	148.4	168	-70.3	-43.4	0	0	0	110	E86 D87	D84-E86 PolarHBondContact O-N 3.15Å; D84-D87 WeakPolarHBondContact O-CB 3.36Å; D84-D87 PolarHBondContact O-N 3.48Å
85	P	95.3	Very high	96.1	Very high	83 Å²	83	67 Å²	67	54%	0.539	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-53.1	-31.4	179.6	-28.7	35.7	0	0	0	115	D87 R88	P85-D87 VanDerWaalsContact C-N 3.33Å; P85-R88 CarbonylContact O-C 3.12Å; P85-R88 PolarHBondContact O-N 2.72Å; P85-R88 VanDerWaalsContact O-N 3.17Å
86	E	95.6	Very high	96.1	Very high	140 Å²	140	67.6 Å²	67.6	65%	0.654	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-71.1	-26.3	177.9	-61.3	-54.9	134.4	0	0	112.9	D84 R88	D84-E86 PolarHBondContact O-N 3.15Å; E86-R88 PolarHBondContact O-N 2.83Å
87	D	97.3	Very high	96.1	Very high	39 Å²	39	62.8 Å²	62.8	21%	0.209	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-78.8	-3.6	173	-85.2	-31.2	0	0	0	112.1	W74 K77 D84 P85	W74-D87 HydrophobicContact CE3-CB 4.37Å; W74-D87 WeakPolarHBondContact CZ3-OD2 3.22Å; K77-D87 IonicContact NZ-OD1 3.93Å; K77-D87 IonicContact NZ-OD2 2.89Å; K77-D87 PolarHBondContact NZ-OD2 2.87Å; D84-D87 WeakPolarHBondContact O-CB 3.36Å; D84-D87 PolarHBondContact O-N 3.48Å; P85-D87 VanDerWaalsContact C-N 3.33Å
88	R	96.4	Very high	96.2	Very high	39 Å²	39	58.7 Å²	58.7	15%	0.147	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-120.3	33.4	179.3	-55	-164.5	-75.8	-119.6	-11.8	113.3	S83 P85 E86 C94 E96 Q168	S83-R88 PolarHBondContact O-NH1 2.78Å; S83-R88 VanDerWaalsContact O-NH1 3.07Å; S83-R88 PolarHBondContact O-NH2 3.19Å; S83-R88 WeakPolarHBondContact OG-CD 3.09Å; S83-R88 WeakPolarHBondContact OG-CG 3.06Å; S83-R88 PolarHBondContact OG-NH1 3.48Å; P85-R88 CarbonylContact O-C 3.12Å; P85-R88 PolarHBondContact O-N 2.72Å; P85-R88 VanDerWaalsContact O-N 3.17Å; E86-R88 PolarHBondContact O-N 2.83Å; R88-C94 HydrophobicContact CB-CB 4.32Å; R88-C94 WeakPolarHBondContact CB-O 3.29Å; R88-C94 WeakPolarHBondContact O-CA 3.49Å; R88-C94 WeakPolarHBondContact O-CB 3.22Å; R88-C94 PolarHBondContact O-N 3.29Å; R88-E96 IonicContact NH1-OE1 2.89Å; R88-E96 PolarHBondContact NH1-OE1 3.07Å; R88-Q168 HydrophobicContact CG-CG 4.38Å
89	K	94.1	Very high	96.2	Very high	113 Å²	113	59.7 Å²	59.7	49%	0.491	30%	0.301	S	S	.	.	B	Isolated β-bridge	trans	-113.6	133.2	-178.8	-165.9	179.2	176.3	-175.1	0	111	N70 T92	N70-K89 PolarHBondContact ND2-O 3.18Å; K89-T92 WeakPolarHBondContact CA-O 3.35Å
90	T	92.7	Very high	96.3	Very high	17 Å²	17	60.3 Å²	60.3	10%	0.104	30%	0.301	C	S	.	.	S	Bend	trans	-113.7	-133.6	168.6	58.5	0	0	0	0	108.3	E66 V67 T92	E66-T90 HydrophobicContact CB-CG2 4.29Å; E66-T90 VanDerWaalsContact CD-CB 3.41Å; E66-T90 HydrophobicContact CG-CG2 3.74Å; E66-T90 VanDerWaalsContact OE1-CA 3.22Å; E66-T90 WeakPolarHBondContact OE1-CA 3.1Å; E66-T90 WeakPolarHBondContact OE1-CB 3.44Å; V67-T90 HydrophobicContact CG2-CG2 3.9Å; T90-T92 PolarHBondContact N-O 3.02Å; T90-T92 PolarHBondContact O-N 3.4Å; T90-T92 PolarHBondContact OG1-N 3.08Å; T90-T92 VanDerWaalsContact OG1-N 3.15Å; T90-T92 PolarHBondContact OG1-O 3.24Å
91	S	89.2	Confident	96.3	Very high	103 Å²	103	59.1 Å²	59.1	72%	0.72	30%	0.296	S	S	*	.	S	Bend	trans	-61.6	-15.7	155.3	61.9	0	0	0	0	112.9
92	T	90.1	Very high	96.2	Very high	23 Å²	23	55.8 Å²	55.8	14%	0.141	29%	0.287	C	S	.	.	S	Bend	trans	-140.1	170.3	179.5	-162.1	0	0	0	0	113.9	K89 T90 C170 Q208	K89-T92 WeakPolarHBondContact CA-O 3.35Å; T90-T92 PolarHBondContact N-O 3.02Å; T90-T92 PolarHBondContact O-N 3.4Å; T90-T92 PolarHBondContact OG1-N 3.08Å; T90-T92 VanDerWaalsContact OG1-N 3.15Å; T90-T92 PolarHBondContact OG1-O 3.24Å; T92-C170 HydrophobicContact CG2-CB 3.9Å; T92-Q208 PolarHBondContact OG1-NE2 2.68Å; T92-Q208 PolarHBondContact OG1-OE1 2.94Å
93	R	93.7	Very high	96	Very high	172 Å²	172	56.7 Å²	56.7	65%	0.649	30%	0.296	S	S	*	.	B	Isolated β-bridge	trans	-74.4	136.7	170.9	-68.1	-179.2	174.7	172.4	-1.6	110.2	A172	R93-A172 PolarHBondContact O-N 3.4Å
94	C	97.3	Very high	95.9	Very high	8 Å²	8	58.2 Å²	58.2	5%	0.054	31%	0.305	C	S	.	.			trans	-120.7	146.4	179.4	-50.5	0	0	0	0	111.9	R88 Y169 C170	R88-C94 HydrophobicContact CB-CB 4.32Å; R88-C94 WeakPolarHBondContact CB-O 3.29Å; R88-C94 WeakPolarHBondContact O-CA 3.49Å; R88-C94 WeakPolarHBondContact O-CB 3.22Å; R88-C94 PolarHBondContact O-N 3.29Å; C94-Y169 CarbonylContact C-O 3.51Å; C94-Y169 WeakPolarHBondContact CA-O 3.46Å; C94-Y169 WeakPolarHBondContact CB-O 3.23Å; C94-C170 HydrophobicContact CB-CB 4.11Å; C94-C170 WeakPolarHBondContact CB-SG 3.47Å; C94-C170 WeakPolarHBondContact SG-CB 3.48Å; C94-C170 CovalentContact SG-SG 2.02Å; C94-C170 PolarHBondContact SG-SG 3.44Å
95	G	98.1	Very high	95.9	Very high	11 Å²	11	54.5 Å²	54.5	11%	0.113	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	-178.6	170.7	0	0	0	0	0	111	Q168 Y169	G95-Q168 CarbonylContact O-C 3.39Å; G95-Q168 WeakPolarHBondContact O-CA 3.31Å; G95-Y169 PolarHBondContact N-O 2.84Å; G95-Y169 PolarHBondContact O-N 3.27Å
96	E	98.8	Very high	96.1	Very high	14 Å²	14	52.7 Å²	52.7	7%	0.065	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	138.3	-178.1	-176.5	176.7	68.3	0	0	111.8	H82 S83 R88 L98 V166 C167 Q168	H82-E96 VanDerWaalsContact CA-OE1 3.3Å; H82-E96 WeakPolarHBondContact CA-OE1 3.44Å; H82-E96 PolarHBondContact CE1-O 3.17Å; H82-E96 IonicContact CE1-OE1 3.9Å; H82-E96 IonicContact CG-OE1 2.68Å; H82-E96 IonicContact ND1-OE1 3.77Å; H82-E96 PolarHBondContact ND1-OE1 2.61Å; S83-E96 PolarHBondContact N-OE1 3.25Å; S83-E96 PolarHBondContact OG-OE1 2.85Å; S83-E96 PolarHBondContact OG-OE2 3.03Å; R88-E96 IonicContact NH1-OE1 2.89Å; R88-E96 PolarHBondContact NH1-OE1 3.07Å; E96-L98 HydrophobicContact CG-CD2 3.73Å; E96-L98 HydrophobicContact CG-CG 4.31Å; E96-V166 HydrophobicContact CG-CG1 4Å; E96-V166 WeakPolarHBondContact OE2-CG1 3.3Å; E96-C167 CarbonylContact C-O 3.54Å; E96-C167 WeakPolarHBondContact CA-O 3.23Å; E96-Q168 HydrophobicContact CB-CG 4.27Å; E96-Q168 HydrophobicContact CG-CG 4.18Å; E96-Q168 PolarHBondContact OE2-NE2 3.26Å
97	N	98.9	Very high	96.2	Very high	2 Å²	2	46 Å²	46	1%	0.011	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	142.7	163.8	-68.3	-6.2	0	0	0	109.1	W114 H136 C167 Y169	N97-W114 HydrophobicContact CB-CD2 3.71Å; N97-W114 HydrophobicContact CB-CE3 3.91Å; N97-W114 HydrophobicContact CB-CG 4.33Å; N97-W114 HydrophobicContact CB-CH2 3.89Å; N97-W114 HydrophobicContact CB-CZ2 3.66Å; N97-W114 HydrophobicContact CB-CZ3 4Å; N97-H136 PolarHBondContact ND2-O 3.03Å; N97-H136 WeakPolarHBondContact OD1-CA 3.45Å; N97-C167 PolarHBondContact N-O 3.07Å; N97-C167 PolarHBondContact O-N 3.31Å; N97-Y169 HydrophobicContact CB-CE2 3.69Å; N97-Y169 PolarHBondContact ND2-OH 3.05Å
98	L	98.7	Very high	96.3	Very high	16 Å²	16	46 Å²	46	8%	0.084	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	145.5	179.3	-59.9	-175.3	0	0	0	110.5	Q81 H82 E96 M100 W114 Y164 Y165 V166	Q81-L98 VanDerWaalsContact C-CD1 3.42Å; H82-L98 HydrophobicContact CB-CD1 4.39Å; E96-L98 HydrophobicContact CG-CD2 3.73Å; E96-L98 HydrophobicContact CG-CG 4.31Å; L98-M100 HydrophobicContact CB-SD 4.18Å; L98-W114 PolarHBondContact O-NE1 3.1Å; L98-Y164 HydrophobicContact CB-CE2 4.23Å; L98-Y164 HydrophobicContact CD1-CE2 4.09Å; L98-Y164 WeakPolarHBondContact CD1-OH 3.27Å; L98-Y164 HydrophobicContact CD2-CE2 3.81Å; L98-Y164 VanDerWaalsContact CD2-OH 3.31Å; L98-Y164 WeakPolarHBondContact CD2-OH 3.45Å; L98-Y164 HydrophobicContact CG-CE2 4.27Å; L98-Y165 WeakPolarHBondContact CA-O 3.36Å; L98-V166 HydrophobicContact CD2-CB 4.14Å; L98-V166 HydrophobicContact CD2-CG1 3.94Å; L98-V166 HydrophobicContact CD2-CG2 3.8Å
99	Y	98.7	Very high	96.4	Very high	51 Å²	51	47.2 Å²	47.2	20%	0.2	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	144	170.3	-178.8	-93.6	0	0	0	109.2	T105 A110 Y165	Y99-T105 HydrophobicContact CE1-CG2 3.95Å; Y99-A110 HydrophobicContact CD1-CB 3.65Å; Y99-A110 HydrophobicContact CD2-CB 4.25Å; Y99-A110 HydrophobicContact CE1-CB 4.04Å; Y99-A110 HydrophobicContact CG-CB 3.77Å; Y99-Y165 AromaticContact CD1-CD2 3.71Å; Y99-Y165 HydrophobicContact CD1-CD2 3.71Å; Y99-Y165 HydrophobicContact CD1-CE2 4.01Å; Y99-Y165 HydrophobicContact CD1-CG 4.16Å; Y99-Y165 HydrophobicContact CE1-CE2 4.42Å; Y99-Y165 PolarHBondContact N-O 3.34Å; Y99-Y165 WeakPolarHBondContact O-CB 3.45Å; Y99-Y165 WeakPolarHBondContact O-CD2 3.02Å; Y99-Y165 PolarHBondContact O-N 3.49Å
100	M	98.1	Very high	96.6	Very high	60 Å²	60	41.8 Å²	41.8	30%	0.296	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	136.4	-179.5	-59.8	80.5	99.8	0	0	109.7	L80 L98 L161 Y163 Y164	L80-M100 HydrophobicContact CB-CE 4.36Å; L80-M100 HydrophobicContact CG-CG 4.09Å; L98-M100 HydrophobicContact CB-SD 4.18Å; M100-L161 HydrophobicContact CB-CB 3.94Å; M100-L161 HydrophobicContact CB-CD1 4.15Å; M100-Y163 VanDerWaalsContact CA-O 3.3Å; M100-Y163 WeakPolarHBondContact CA-O 3.2Å; M100-Y164 HydrophobicContact CG-CD2 3.82Å; M100-Y164 HydrophobicContact CG-CE2 4.34Å; M100-Y164 HydrophobicContact SD-CD2 4.21Å; M100-Y164 HydrophobicContact SD-CE2 4.18Å
101	S	97.7	Very high	96.9	Very high	8 Å²	8	41 Å²	41	6%	0.056	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	153.6	179.5	62	0	0	0	0	112.4	D103 T105 L161 K162 Y163	S101-D103 WeakPolarHBondContact CB-O 3.13Å; S101-D103 PolarHBondContact OG-O 3.23Å; S101-T105 WeakPolarHBondContact CB-OG1 3.39Å; S101-T105 PolarHBondContact OG-OG1 3.27Å; S101-L161 CarbonylContact O-C 3.11Å; S101-L161 VanDerWaalsContact O-CA 3.26Å; S101-L161 WeakPolarHBondContact O-CA 3.39Å; S101-K162 PolarHBondContact O-N 2.92Å; S101-K162 VanDerWaalsContact O-N 3.14Å; S101-Y163 PolarHBondContact N-O 3.14Å; S101-Y163 PolarHBondContact O-N 2.86Å
102	S	95.6	Very high	97.4	Very high	66 Å²	66	38.6 Å²	38.6	46%	0.462	21%	0.211	S	C	.	.	S	Bend	trans	-76.2	-27.7	175.8	-64.2	0	0	0	0	112.6	Y163	S102-Y163 WeakPolarHBondContact O-CD2 3.43Å; S102-Y163 VanDerWaalsContact O-CE2 3.23Å; S102-Y163 WeakPolarHBondContact O-CE2 3.37Å
103	D	94.6	Very high	97.8	Very high	114 Å²	114	40.2 Å²	40.2	61%	0.61	22%	0.223	S	C	*	.	S	Bend	trans	-124.1	155.7	-179.9	-61.4	-67.7	0	0	0	110.9	S101 T105	S101-D103 WeakPolarHBondContact CB-O 3.13Å; S101-D103 PolarHBondContact OG-O 3.23Å; D103-T105 PolarHBondContact O-N 3.3Å; D103-T105 PolarHBondContact O-OG1 3.26Å
104	P	96.2	Very high	98	Very high	37 Å²	37	32.3 Å²	32.3	24%	0.24	19%	0.193	C	C	.	.			trans	-55	114.9	173.5	-22.2	32.9	0	0	0	110.9	D23 A25 L29 Y163	D23-P104 VanDerWaalsContact OD2-CG 3.26Å; D23-P104 WeakPolarHBondContact OD2-CG 3.2Å; A25-P104 HydrophobicContact CB-CB 3.85Å; A25-P104 HydrophobicContact CB-CG 3.85Å; L29-P104 HydrophobicContact CD1-CB 3.74Å; P104-Y163 VanDerWaalsContact CD-CE2 3.43Å; P104-Y163 HydrophobicContact CG-CD1 4.44Å; P104-Y163 HydrophobicContact CG-CE1 3.8Å; P104-Y163 HydrophobicContact CG-CE2 3.96Å
105	T	97.8	Very high	98.1	Very high	28 Å²	28	33 Å²	33	17%	0.172	20%	0.195	C	C	.	.			trans	-108.9	139.4	179.8	-62.6	0	0	0	0	110	L29 Y99 S101 D103 Y165	L29-T105 VanDerWaalsContact CD1-O 3.3Å; L29-T105 WeakPolarHBondContact CD1-O 3.06Å; L29-T105 WeakPolarHBondContact CD2-O 3.25Å; Y99-T105 HydrophobicContact CE1-CG2 3.95Å; S101-T105 WeakPolarHBondContact CB-OG1 3.39Å; S101-T105 PolarHBondContact OG-OG1 3.27Å; D103-T105 PolarHBondContact O-N 3.3Å; D103-T105 PolarHBondContact O-OG1 3.26Å; T105-Y165 WeakPolarHBondContact CA-OH 3.37Å; T105-Y165 PolarHBondContact N-OH 2.53Å; T105-Y165 WeakPolarHBondContact O-CE1 3.41Å; T105-Y165 PolarHBondContact O-OH 3.29Å
106	S	98.2	Very high	98.1	Very high	45 Å²	45	35.8 Å²	35.8	32%	0.315	21%	0.208	S	C	.	.			trans	-60.7	148.5	178.1	81.8	0	0	0	0	111.5	S108 S109 A110	S106-S108 VanDerWaalsContact C-N 3.26Å; S106-S108 PolarHBondContact O-N 2.91Å; S106-S109 PolarHBondContact O-N 3.03Å; S106-S109 VanDerWaalsContact O-N 3.15Å; S106-S109 WeakPolarHBondContact OG-CB 3.44Å; S106-S109 PolarHBondContact OG-N 2.67Å; S106-S109 PolarHBondContact OG-OG 3.27Å; S106-A110 PolarHBondContact O-N 3.37Å
107	W	98.7	Very high	98.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60.8	-39.1	175.7	-81.3	102.9	0	0	0	111.5	L29 T31 V36 I40 S109 A110 I111 C150 I152 Y165 C167	L29-W107 PolarHBondContact O-NE1 3.48Å; T31-W107 HydrophobicContact CG2-CH2 4.31Å; T31-W107 HydrophobicContact CG2-CZ2 3.43Å; T31-W107 VanDerWaalsContact CG2-CZ2 3.43Å; V36-W107 HydrophobicContact CG1-CG 4.27Å; I40-W107 HydrophobicContact CD1-CB 4.47Å; I40-W107 HydrophobicContact CD1-CD2 3.6Å; I40-W107 HydrophobicContact CD1-CE3 3.97Å; I40-W107 HydrophobicContact CD1-CG 3.84Å; I40-W107 HydrophobicContact CD1-CZ2 4.28Å; I40-W107 HydrophobicContact CD1-CZ3 4.46Å; I40-W107 HydrophobicContact CG1-CB 3.77Å; I40-W107 HydrophobicContact CG1-CD2 3.78Å; I40-W107 HydrophobicContact CG1-CE3 4.05Å; I40-W107 HydrophobicContact CG1-CG 3.68Å; W107-S109 VanDerWaalsContact C-N 3.29Å; W107-S109 PolarHBondContact O-N 2.95Å; W107-A110 PolarHBondContact O-N 3.33Å; W107-I111 HydrophobicContact CB-CD1 4.42Å; W107-I111 WeakPolarHBondContact O-CB 3.13Å; W107-I111 WeakPolarHBondContact O-CD1 3.37Å; W107-I111 WeakPolarHBondContact O-CG1 3.31Å; W107-I111 PolarHBondContact O-N 2.85Å; W107-C150 HydrophobicContact CH2-CB 3.55Å; W107-C150 HydrophobicContact CZ2-CB 4.18Å; W107-C150 HydrophobicContact CZ3-CB 3.85Å; W107-I152 HydrophobicContact CZ2-CB 3.92Å; W107-I152 HydrophobicContact CZ2-CG2 4.46Å; W107-Y165 HydrophobicContact CD2-CD1 4.09Å; W107-Y165 HydrophobicContact CD2-CE1 4.42Å; W107-Y165 AromaticContact CE3-CD1 3.92Å; W107-Y165 HydrophobicContact CE3-CD1 3.92Å; W107-Y165 AromaticContact CH2-CD1 3.68Å; W107-Y165 HydrophobicContact CH2-CD1 3.68Å; W107-Y165 HydrophobicContact CH2-CG 4.32Å; W107-Y165 AromaticContact CZ2-CD1 3.86Å; W107-Y165 HydrophobicContact CZ2-CD1 3.86Å; W107-Y165 AromaticContact CZ3-CD1 3.71Å; W107-Y165 HydrophobicContact CZ3-CD1 3.71Å; W107-Y165 HydrophobicContact CZ3-CG 4.39Å; W107-C167 VanDerWaalsContact CZ3-SG 3.55Å
108	S	98.7	Very high	98.1	Very high	38 Å²	38	38.2 Å²	38.2	27%	0.266	22%	0.22	S	C	.	.	H	α-helix	trans	-57.9	-40.7	175.1	-62.8	0	0	0	0	112.6	E39 S106 Q112	E39-S108 WeakPolarHBondContact CG-OG 3.22Å; E39-S108 WeakPolarHBondContact OE1-CB 3.25Å; E39-S108 PolarHBondContact OE1-N 3.4Å; E39-S108 PolarHBondContact OE1-OG 3.42Å; S106-S108 VanDerWaalsContact C-N 3.26Å; S106-S108 PolarHBondContact O-N 2.91Å; S108-Q112 VanDerWaalsContact O-CB 3.23Å; S108-Q112 WeakPolarHBondContact O-CB 2.99Å; S108-Q112 PolarHBondContact O-N 3.03Å
109	S	98.6	Very high	98	Very high	65 Å²	65	43.1 Å²	43.1	46%	0.455	25%	0.245	S	C	.	.	H	α-helix	trans	-69.2	-43.8	176.4	-61.2	0	0	0	0	112.3	S106 W107 Q112 S113	S106-S109 PolarHBondContact O-N 3.03Å; S106-S109 VanDerWaalsContact O-N 3.15Å; S106-S109 WeakPolarHBondContact OG-CB 3.44Å; S106-S109 PolarHBondContact OG-N 2.67Å; S106-S109 PolarHBondContact OG-OG 3.27Å; W107-S109 VanDerWaalsContact C-N 3.29Å; W107-S109 PolarHBondContact O-N 2.95Å; S109-Q112 PolarHBondContact O-N 2.93Å; S109-S113 PolarHBondContact O-N 2.88Å
110	A	98.7	Very high	98	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-62.1	-44.5	176.8	0	0	0	0	0	111.7	Y99 S106 W107 S113 W114	Y99-A110 HydrophobicContact CD1-CB 3.65Å; Y99-A110 HydrophobicContact CD2-CB 4.25Å; Y99-A110 HydrophobicContact CE1-CB 4.04Å; Y99-A110 HydrophobicContact CG-CB 3.77Å; S106-A110 PolarHBondContact O-N 3.37Å; W107-A110 PolarHBondContact O-N 3.33Å; A110-S113 WeakPolarHBondContact O-CB 3.36Å; A110-S113 PolarHBondContact O-N 3.03Å; A110-W114 PolarHBondContact O-N 3.38Å
111	I	98.9	Very high	98	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-66.1	-39.3	177	-65.4	161.8	0	0	0	111.1	I40 K43 L47 W107 S113 W114 Y115 L140	I40-I111 HydrophobicContact CB-CD1 4.24Å; I40-I111 HydrophobicContact CG1-CD1 4.22Å; I40-I111 HydrophobicContact CG2-CD1 4.03Å; K43-I111 HydrophobicContact CB-CD1 4.2Å; K43-I111 HydrophobicContact CB-CG2 4.43Å; K43-I111 HydrophobicContact CG-CB 4.05Å; K43-I111 HydrophobicContact CG-CD1 4.35Å; K43-I111 HydrophobicContact CG-CG2 3.71Å; L47-I111 HydrophobicContact CD1-CG2 3.82Å; W107-I111 HydrophobicContact CB-CD1 4.42Å; W107-I111 WeakPolarHBondContact O-CB 3.13Å; W107-I111 WeakPolarHBondContact O-CD1 3.37Å; W107-I111 WeakPolarHBondContact O-CG1 3.31Å; W107-I111 PolarHBondContact O-N 2.85Å; I111-S113 VanDerWaalsContact C-N 3.32Å; I111-S113 PolarHBondContact O-N 3.15Å; I111-W114 HydrophobicContact CB-CE3 4.4Å; I111-W114 HydrophobicContact CG1-CE3 4.1Å; I111-W114 HydrophobicContact CG1-CZ3 3.93Å; I111-W114 WeakPolarHBondContact O-CB 3.47Å; I111-W114 PolarHBondContact O-N 2.85Å; I111-Y115 PolarHBondContact O-N 3.21Å; I111-L140 HydrophobicContact CG2-CD1 3.72Å
112	Q	98.8	Very high	98	Very high	53 Å²	53	44.6 Å²	44.6	25%	0.248	26%	0.259	C	S	.	.	H	α-helix	trans	-61.9	-41.8	174.6	-171	64.3	56.4	0	0	111.1	S108 S109 W114 Y115 D116	S108-Q112 VanDerWaalsContact O-CB 3.23Å; S108-Q112 WeakPolarHBondContact O-CB 2.99Å; S108-Q112 PolarHBondContact O-N 3.03Å; S109-Q112 PolarHBondContact O-N 2.93Å; Q112-W114 VanDerWaalsContact C-N 3.27Å; Q112-W114 PolarHBondContact O-N 3.25Å; Q112-Y115 CarbonylContact O-C 3.52Å; Q112-Y115 WeakPolarHBondContact O-CA 3.45Å; Q112-Y115 WeakPolarHBondContact O-CB 3.47Å; Q112-Y115 PolarHBondContact O-N 3.29Å; Q112-D116 PolarHBondContact NE2-OD1 2.83Å; Q112-D116 PolarHBondContact O-N 2.93Å
113	S	98.6	Very high	98.2	Very high	57 Å²	57	43.8 Å²	43.8	40%	0.399	25%	0.246	S	C	.	.	H	α-helix	trans	-59	-36.8	175.9	-175.6	0	0	0	0	112.8	S109 A110 I111	S109-S113 PolarHBondContact O-N 2.88Å; A110-S113 WeakPolarHBondContact O-CB 3.36Å; A110-S113 PolarHBondContact O-N 3.03Å; I111-S113 VanDerWaalsContact C-N 3.32Å; I111-S113 PolarHBondContact O-N 3.15Å
114	W	98.8	Very high	98.3	Very high	5 Å²	5	40.4 Å²	40.4	2%	0.019	24%	0.238	C	C	.	.	H	α-helix	trans	-68.2	-39	172.5	-66.2	-29.5	0	0	0	112.5	N97 L98 A110 I111 Q112 H136 Y137 L140 C167 Y169	N97-W114 HydrophobicContact CB-CD2 3.71Å; N97-W114 HydrophobicContact CB-CE3 3.91Å; N97-W114 HydrophobicContact CB-CG 4.33Å; N97-W114 HydrophobicContact CB-CH2 3.89Å; N97-W114 HydrophobicContact CB-CZ2 3.66Å; N97-W114 HydrophobicContact CB-CZ3 4Å; L98-W114 PolarHBondContact O-NE1 3.1Å; A110-W114 PolarHBondContact O-N 3.38Å; I111-W114 HydrophobicContact CB-CE3 4.4Å; I111-W114 HydrophobicContact CG1-CE3 4.1Å; I111-W114 HydrophobicContact CG1-CZ3 3.93Å; I111-W114 WeakPolarHBondContact O-CB 3.47Å; I111-W114 PolarHBondContact O-N 2.85Å; Q112-W114 VanDerWaalsContact C-N 3.27Å; Q112-W114 PolarHBondContact O-N 3.25Å; W114-H136 HydrophobicContact CB-CB 3.65Å; W114-H136 AromaticContact CD1-CD2 3.92Å; W114-H136 AromaticContact CD1-CG 3.69Å; W114-H136 HydrophobicContact CG-CB 3.76Å; W114-Y137 WeakPolarHBondContact O-CA 3.29Å; W114-Y137 WeakPolarHBondContact O-CB 3.02Å; W114-Y137 PolarHBondContact O-N 3.42Å; W114-L140 HydrophobicContact CB-CD1 4.27Å; W114-C167 HydrophobicContact CH2-CB 3.74Å; W114-C167 HydrophobicContact CZ3-CB 3.91Å; W114-Y169 VanDerWaalsContact CZ3-OH 3.27Å; W114-Y169 WeakPolarHBondContact CZ3-OH 3.28Å
115	Y	98.8	Very high	98.4	Very high	22 Å²	22	43.6 Å²	43.6	9%	0.086	26%	0.257	C	S	.	.	H	α-helix	trans	-68.7	-34.9	179.2	-172.8	-95.6	0	0	0	112.8	L47 I111 Q112 E117 I118 Y137 L140 V141	L47-Y115 HydrophobicContact CB-CD2 3.73Å; L47-Y115 HydrophobicContact CB-CE2 3.75Å; L47-Y115 HydrophobicContact CB-CG 4.4Å; L47-Y115 HydrophobicContact CD1-CD2 3.84Å; L47-Y115 HydrophobicContact CD1-CG 3.83Å; L47-Y115 HydrophobicContact CD2-CD1 3.76Å; L47-Y115 HydrophobicContact CD2-CD2 3.88Å; L47-Y115 HydrophobicContact CD2-CE1 3.92Å; L47-Y115 HydrophobicContact CD2-CE2 4.03Å; L47-Y115 HydrophobicContact CD2-CG 3.72Å; L47-Y115 HydrophobicContact CG-CD2 4.02Å; L47-Y115 HydrophobicContact CG-CE2 4.34Å; L47-Y115 HydrophobicContact CG-CG 4.19Å; I111-Y115 PolarHBondContact O-N 3.21Å; Q112-Y115 CarbonylContact O-C 3.52Å; Q112-Y115 WeakPolarHBondContact O-CA 3.45Å; Q112-Y115 WeakPolarHBondContact O-CB 3.47Å; Q112-Y115 PolarHBondContact O-N 3.29Å; Y115-E117 PolarHBondContact O-N 2.75Å; Y115-E117 VanDerWaalsContact O-N 3.07Å; Y115-I118 HydrophobicContact CD1-CG2 4.2Å; Y115-I118 HydrophobicContact CE1-CD1 4.25Å; Y115-I118 HydrophobicContact CE1-CG2 4.05Å; Y115-I118 VanDerWaalsContact O-CB 3.29Å; Y115-I118 WeakPolarHBondContact O-CB 3.18Å; Y115-I118 WeakPolarHBondContact O-CG2 3.38Å; Y115-I118 PolarHBondContact O-N 2.87Å; Y115-Y137 AromaticContact CD2-CD2 3.92Å; Y115-Y137 HydrophobicContact CD2-CD2 3.92Å; Y115-Y137 HydrophobicContact CD2-CE2 4.12Å; Y115-Y137 HydrophobicContact CE2-CD2 4.11Å; Y115-Y137 AromaticContact CE2-CE2 3.81Å; Y115-Y137 HydrophobicContact CE2-CE2 3.81Å; Y115-Y137 HydrophobicContact CG-CD2 4.45Å; Y115-L140 HydrophobicContact CD2-CD1 4.43Å; Y115-L140 HydrophobicContact CD2-CD2 3.97Å; Y115-V141 HydrophobicContact CD2-CG1 4.3Å; Y115-V141 HydrophobicContact CE2-CG1 3.94Å
116	D	98.6	Very high	98.4	Very high	71 Å²	71	42.3 Å²	42.3	38%	0.38	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-64.6	-13.3	-175.3	-70.3	-15.9	0	0	0	113.4	Q112 I118 L119	Q112-D116 PolarHBondContact NE2-OD1 2.83Å; Q112-D116 PolarHBondContact O-N 2.93Å; D116-I118 PolarHBondContact O-N 2.86Å; D116-I118 VanDerWaalsContact O-N 3.07Å; D116-L119 WeakPolarHBondContact O-CB 3.25Å; D116-L119 VanDerWaalsContact O-CG 3.27Å; D116-L119 WeakPolarHBondContact O-CG 3.45Å; D116-L119 PolarHBondContact O-N 2.03Å
117	E	98.6	Very high	98.4	Very high	26 Å²	26	42.5 Å²	42.5	12%	0.121	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-58.8	-15.8	166.1	-58.9	-177.5	157.3	0	0	113.2	Y115 L119 D120 F121 V133 V134 G135 H136 Y137	Y115-E117 PolarHBondContact O-N 2.75Å; Y115-E117 VanDerWaalsContact O-N 3.07Å; E117-L119 PolarHBondContact O-N 3.5Å; E117-L119 VanDerWaalsContact O-N 3.13Å; E117-D120 PolarHBondContact O-N 2.77Å; E117-F121 PolarHBondContact O-N 3.48Å; E117-V133 WeakPolarHBondContact CB-O 3.37Å; E117-V133 VanDerWaalsContact CD-O 3.25Å; E117-V133 WeakPolarHBondContact CG-O 3.27Å; E117-V133 VanDerWaalsContact OE1-CG1 3.28Å; E117-V133 WeakPolarHBondContact OE1-CG1 3.35Å; E117-V134 WeakPolarHBondContact OE2-CA 3.47Å; E117-G135 PolarHBondContact OE2-N 3.32Å; E117-H136 IonicContact OE1-CE1 2.86Å; E117-H136 IonicContact OE1-CG 2.7Å; E117-H136 IonicContact OE1-ND1 3.99Å; E117-H136 PolarHBondContact OE1-ND1 2.94Å; E117-H136 WeakPolarHBondContact OE2-CA 3.28Å; E117-H136 VanDerWaalsContact OE2-CB 3.31Å; E117-H136 WeakPolarHBondContact OE2-CB 3.31Å; E117-H136 IonicContact OE2-CG 3.52Å; E117-H136 PolarHBondContact OE2-N 3.28Å; E117-H136 IonicContact OE2-ND1 3.61Å; E117-Y137 PolarHBondContact OE2-N 2.88Å
118	I	98	Very high	98.3	Very high	40 Å²	40	48.7 Å²	48.7	21%	0.205	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-52.5	-29.8	168.7	-166	174.3	0	0	0	112.2	Y115 D116 D120 F121 Y137	Y115-I118 HydrophobicContact CD1-CG2 4.2Å; Y115-I118 HydrophobicContact CE1-CD1 4.25Å; Y115-I118 HydrophobicContact CE1-CG2 4.05Å; Y115-I118 VanDerWaalsContact O-CB 3.29Å; Y115-I118 WeakPolarHBondContact O-CB 3.18Å; Y115-I118 WeakPolarHBondContact O-CG2 3.38Å; Y115-I118 PolarHBondContact O-N 2.87Å; D116-I118 PolarHBondContact O-N 2.86Å; D116-I118 VanDerWaalsContact O-N 3.07Å; I118-D120 PolarHBondContact O-N 3.48Å; I118-F121 PolarHBondContact O-N 3.1Å; I118-F121 VanDerWaalsContact O-N 3.1Å; I118-Y137 HydrophobicContact CB-CD2 3.77Å; I118-Y137 HydrophobicContact CB-CE2 3.68Å; I118-Y137 HydrophobicContact CB-CG 4.24Å; I118-Y137 HydrophobicContact CD1-CE2 3.7Å; I118-Y137 HydrophobicContact CG1-CD2 4.31Å; I118-Y137 HydrophobicContact CG1-CE1 4.35Å; I118-Y137 HydrophobicContact CG1-CE2 3.72Å
119	L	97.9	Very high	98.2	Very high	119 Å²	119	49.4 Å²	49.4	62%	0.623	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-63.3	-21.9	177.4	-63	176	0	0	0	112.4	D116 E117 K128	D116-L119 WeakPolarHBondContact O-CB 3.25Å; D116-L119 VanDerWaalsContact O-CG 3.27Å; D116-L119 WeakPolarHBondContact O-CG 3.45Å; D116-L119 PolarHBondContact O-N 2.03Å; E117-L119 PolarHBondContact O-N 3.5Å; E117-L119 VanDerWaalsContact O-N 3.13Å; L119-K128 VanDerWaalsContact O-CE 3.26Å; L119-K128 WeakPolarHBondContact O-CE 3.49Å; L119-K128 PolarHBondContact O-NZ 2.92Å
120	D	98.3	Very high	98	Very high	77 Å²	77	52.8 Å²	52.8	41%	0.412	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-110	11.6	177	-69.2	-59.8	0	0	0	113.3	E117 I118 P127 K128 A132 V134	E117-D120 PolarHBondContact O-N 2.77Å; I118-D120 PolarHBondContact O-N 3.48Å; D120-P127 CarbonylContact O-C 3.53Å; D120-P127 WeakPolarHBondContact O-CA 3.35Å; D120-K128 WeakPolarHBondContact O-CG 3.49Å; D120-K128 PolarHBondContact O-N 3.26Å; D120-A132 HydrophobicContact CB-CB 3.83Å; D120-V134 HydrophobicContact CB-CG1 4.43Å
121	F	98.5	Very high	97.9	Very high	13 Å²	13	59.9 Å²	59.9	6%	0.057	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	145	179.9	-176.9	-96.4	0	0	0	112	E117 I118 V134 Y137 T138 N180 P182	E117-F121 PolarHBondContact O-N 3.48Å; I118-F121 PolarHBondContact O-N 3.1Å; I118-F121 VanDerWaalsContact O-N 3.1Å; F121-V134 HydrophobicContact CB-CB 4.4Å; F121-V134 HydrophobicContact CB-CG1 4.02Å; F121-V134 HydrophobicContact CD2-CB 4.06Å; F121-V134 HydrophobicContact CD2-CG1 4.28Å; F121-V134 HydrophobicContact CD2-CG2 4.03Å; F121-Y137 HydrophobicContact CB-CD1 4.22Å; F121-Y137 HydrophobicContact CB-CE1 4.22Å; F121-Y137 HydrophobicContact CD1-CD1 4.22Å; F121-Y137 AromaticContact CD1-CE1 3.47Å; F121-Y137 HydrophobicContact CD1-CE1 3.47Å; F121-Y137 VanDerWaalsContact CD1-CE1 3.47Å; F121-Y137 HydrophobicContact CD2-CD1 4.47Å; F121-Y137 HydrophobicContact CD2-CE1 4.42Å; F121-Y137 AromaticContact CE1-CE1 3.83Å; F121-Y137 HydrophobicContact CE1-CE1 3.83Å; F121-Y137 HydrophobicContact CG-CD1 4.06Å; F121-Y137 AromaticContact CG-CE1 3.8Å; F121-Y137 HydrophobicContact CG-CE1 3.8Å; F121-Y137 HydrophobicContact CZ-CE1 4.45Å; F121-T138 HydrophobicContact CD2-CG2 4.06Å; F121-T138 HydrophobicContact CE2-CG2 3.65Å; F121-T138 HydrophobicContact CZ-CG2 4.13Å; F121-N180 WeakPolarHBondContact CZ-O 2.96Å; F121-P182 HydrophobicContact CZ-CG 4.36Å
122	V	98.2	Very high	97.8	Very high	60 Å²	60	60.9 Å²	60.9	36%	0.364	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	118	170.7	178.1	0	0	0	0	108.5	G124 V125 G126 K128	V122-G124 PolarHBondContact O-N 3.49Å; V122-V125 HydrophobicContact CB-CB 4.01Å; V122-V125 HydrophobicContact CB-CG2 4.45Å; V122-V125 HydrophobicContact CG1-CB 3.94Å; V122-V125 HydrophobicContact CG1-CG2 3.82Å; V122-V125 PolarHBondContact O-N 2.67Å; V122-G126 PolarHBondContact N-O 3.19Å; V122-G126 PolarHBondContact O-N 3.32Å; V122-K128 HydrophobicContact CG2-CD 4.38Å; V122-K128 HydrophobicContact CG2-CG 3.81Å
123	Y	98.4	Very high	97.7	Very high	49 Å²	49	62.6 Å²	62.6	19%	0.192	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	133.5	-179.3	-175.1	-84.6	0	0	0	111.7	P53 V125 T181 Y183 Q185	P53-Y123 HydrophobicContact CG-CD1 3.77Å; P53-Y123 HydrophobicContact CG-CD2 4.07Å; P53-Y123 HydrophobicContact CG-CE1 4.21Å; P53-Y123 HydrophobicContact CG-CE2 4.49Å; P53-Y123 HydrophobicContact CG-CG 3.7Å; Y123-V125 PolarHBondContact O-N 3.12Å; Y123-T181 HydrophobicContact CE1-CG2 4.22Å; Y123-Y183 HydrophobicContact CD2-CE1 4.31Å; Y123-Y183 AromaticContact CD2-CE2 3.88Å; Y123-Y183 HydrophobicContact CD2-CE2 3.88Å; Y123-Y183 AromaticContact CD2-CZ 3.73Å; Y123-Y183 AromaticContact CE2-CD2 3.76Å; Y123-Y183 HydrophobicContact CE2-CD2 3.76Å; Y123-Y183 HydrophobicContact CE2-CE1 4.28Å; Y123-Y183 AromaticContact CE2-CE2 3.45Å; Y123-Y183 HydrophobicContact CE2-CE2 3.45Å; Y123-Y183 VanDerWaalsContact CE2-CE2 3.45Å; Y123-Y183 HydrophobicContact CE2-CG 4.32Å; Y123-Y183 AromaticContact CE2-CZ 3.74Å; Y123-Y183 WeakPolarHBondContact CE2-O 2.95Å; Y123-Y183 PolarHBondContact OH-O 2.86Å; Y123-Q185 HydrophobicContact CE1-CB 3.92Å; Y123-Q185 PolarHBondContact OH-N 2.99Å; Y123-Q185 VanDerWaalsContact OH-N 3.1Å
124	G	97.9	Very high	97.7	Very high	44 Å²	44	60.6 Å²	60.6	45%	0.454	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	-20.1	-175.4	0	0	0	0	0	114.7	V122 N180	V122-G124 PolarHBondContact O-N 3.49Å; G124-N180 WeakPolarHBondContact CA-O 3.48Å; G124-N180 PolarHBondContact N-O 2.97Å
125	V	97.5	Very high	97.7	Very high	104 Å²	104	61.7 Å²	61.7	63%	0.63	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	-43.3	-179.1	-179.6	0	0	0	0	111.6	V122 Y123 N180	V122-V125 HydrophobicContact CB-CB 4.01Å; V122-V125 HydrophobicContact CB-CG2 4.45Å; V122-V125 HydrophobicContact CG1-CB 3.94Å; V122-V125 HydrophobicContact CG1-CG2 3.82Å; V122-V125 PolarHBondContact O-N 2.67Å; Y123-V125 PolarHBondContact O-N 3.12Å; V125-N180 PolarHBondContact O-ND2 3.1Å
126	G	97.2	Very high	97.7	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	104.8	-149.2	-176.1	0	0	0	0	0	113.4	V122 N180	V122-G126 PolarHBondContact N-O 3.19Å; V122-G126 PolarHBondContact O-N 3.32Å; G126-N180 VanDerWaalsContact CA-CG 3.45Å; G126-N180 WeakPolarHBondContact CA-OD1 3.34Å
127	P	97.9	Very high	97.7	Very high	50 Å²	50	59.1 Å²	59.1	33%	0.325	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	141.1	179.4	-15.2	25.8	0	0	0	112.8	D120 S129 A132 V134	D120-P127 CarbonylContact O-C 3.53Å; D120-P127 WeakPolarHBondContact O-CA 3.35Å; P127-S129 WeakPolarHBondContact CB-O 3.4Å; P127-S129 PolarHBondContact O-N 3.33Å; P127-A132 HydrophobicContact CB-CB 3.88Å; P127-V134 HydrophobicContact CB-CG1 4.12Å; P127-V134 HydrophobicContact CB-CG2 4.42Å; P127-V134 HydrophobicContact CG-CG1 4.36Å; P127-V134 HydrophobicContact CG-CG2 3.76Å
128	K	97.8	Very high	97.7	Very high	129 Å²	129	58.1 Å²	58.1	56%	0.561	34%	0.341	S	S	*	.	S	Bend	trans	-67.6	-20.6	177.3	-71.1	-177.7	-171.9	174.6	0	113.6	L119 D120 V122	L119-K128 VanDerWaalsContact O-CE 3.26Å; L119-K128 WeakPolarHBondContact O-CE 3.49Å; L119-K128 PolarHBondContact O-NZ 2.92Å; D120-K128 WeakPolarHBondContact O-CG 3.49Å; D120-K128 PolarHBondContact O-N 3.26Å; V122-K128 HydrophobicContact CG2-CD 4.38Å; V122-K128 HydrophobicContact CG2-CG 3.81Å
129	S	97.1	Very high	97.7	Very high	54 Å²	54	56.3 Å²	56.3	38%	0.378	33%	0.332	S	S	.	.	S	Bend	trans	-142.8	156.7	173.1	76.9	0	0	0	0	110.6	P127 N131 A132	P127-S129 WeakPolarHBondContact CB-O 3.4Å; P127-S129 PolarHBondContact O-N 3.33Å; S129-N131 PolarHBondContact O-N 2.91Å; S129-N131 VanDerWaalsContact O-N 3.08Å; S129-A132 WeakPolarHBondContact O-CB 3.35Å; S129-A132 PolarHBondContact O-N 2.91Å; S129-A132 VanDerWaalsContact O-N 3.1Å; S129-A132 PolarHBondContact OG-N 3.35Å
130	P	94.1	Very high	97.7	Very high	136 Å²	136	50.7 Å²	50.7	88%	0.883	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-24.3	179.9	-26.6	35.6	0	0	0	115
131	N	95.4	Very high	97.8	Very high	149 Å²	149	47 Å²	47	80%	0.797	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-2.1	-177.6	-62.2	-24.1	0	0	0	113.1	S129 V133	S129-N131 PolarHBondContact O-N 2.91Å; S129-N131 VanDerWaalsContact O-N 3.08Å; N131-V133 PolarHBondContact O-N 3.21Å
132	A	97.2	Very high	97.8	Very high	20 Å²	20	46.4 Å²	46.4	17%	0.165	28%	0.28	C	S	.	.			trans	-68.9	126.9	177.6	0	0	0	0	0	110.3	D120 P127 S129	D120-A132 HydrophobicContact CB-CB 3.83Å; P127-A132 HydrophobicContact CB-CB 3.88Å; S129-A132 WeakPolarHBondContact O-CB 3.35Å; S129-A132 PolarHBondContact O-N 2.91Å; S129-A132 VanDerWaalsContact O-N 3.1Å; S129-A132 PolarHBondContact OG-N 3.35Å
133	V	97.3	Very high	97.8	Very high	90 Å²	90	44.5 Å²	44.5	55%	0.545	27%	0.267	S	S	.	.			trans	-86.6	120.8	173.3	-172.9	0	0	0	0	107.7	E117 N131	E117-V133 WeakPolarHBondContact CB-O 3.37Å; E117-V133 VanDerWaalsContact CD-O 3.25Å; E117-V133 WeakPolarHBondContact CG-O 3.27Å; E117-V133 VanDerWaalsContact OE1-CG1 3.28Å; E117-V133 WeakPolarHBondContact OE1-CG1 3.35Å; N131-V133 PolarHBondContact O-N 3.21Å
134	V	98	Very high	97.7	Very high	15 Å²	15	42.4 Å²	42.4	9%	0.091	26%	0.259	C	S	.	.			trans	-130.3	1.7	179.7	-56.3	0	0	0	0	112.9	E117 D120 F121 P127 H136 Y137 T138	E117-V134 WeakPolarHBondContact OE2-CA 3.47Å; D120-V134 HydrophobicContact CB-CG1 4.43Å; F121-V134 HydrophobicContact CB-CB 4.4Å; F121-V134 HydrophobicContact CB-CG1 4.02Å; F121-V134 HydrophobicContact CD2-CB 4.06Å; F121-V134 HydrophobicContact CD2-CG1 4.28Å; F121-V134 HydrophobicContact CD2-CG2 4.03Å; P127-V134 HydrophobicContact CB-CG1 4.12Å; P127-V134 HydrophobicContact CB-CG2 4.42Å; P127-V134 HydrophobicContact CG-CG1 4.36Å; P127-V134 HydrophobicContact CG-CG2 3.76Å; V134-H136 VanDerWaalsContact C-N 3.34Å; V134-H136 PolarHBondContact O-N 3.01Å; V134-Y137 PolarHBondContact O-N 3.39Å; V134-T138 HydrophobicContact CG2-CG2 4.43Å; V134-T138 WeakPolarHBondContact O-CG2 3.17Å; V134-T138 PolarHBondContact O-N 3.41Å; V134-T138 PolarHBondContact O-OG1 2.7Å; V134-T138 VanDerWaalsContact O-OG1 3.1Å
135	G	98.2	Very high	97.7	Very high	27 Å²	27	40.3 Å²	40.3	28%	0.278	24%	0.238	S	C	.	.	H	α-helix	trans	-68.8	-31.3	-171.1	0	0	0	0	0	113.2	E117 T138 Q139 N174	E117-G135 PolarHBondContact OE2-N 3.32Å; G135-T138 WeakPolarHBondContact CA-OG1 3.37Å; G135-T138 PolarHBondContact O-OG1 3.1Å; G135-Q139 WeakPolarHBondContact O-CB 3.15Å; G135-Q139 PolarHBondContact O-N 3.33Å; G135-Q139 VanDerWaalsContact O-N 3.1Å; G135-N174 PolarHBondContact O-ND2 3.37Å
136	H	98.7	Very high	97.7	Very high	39 Å²	39	36.7 Å²	36.7	18%	0.181	21%	0.213	C	C	.	.	H	α-helix	trans	-72.4	-43.2	178.1	-54.3	110.5	0	0	0	110.2	N97 W114 E117 V134 L140	N97-H136 PolarHBondContact ND2-O 3.03Å; N97-H136 WeakPolarHBondContact OD1-CA 3.45Å; W114-H136 HydrophobicContact CB-CB 3.65Å; W114-H136 AromaticContact CD1-CD2 3.92Å; W114-H136 AromaticContact CD1-CG 3.69Å; W114-H136 HydrophobicContact CG-CB 3.76Å; E117-H136 IonicContact OE1-CE1 2.86Å; E117-H136 IonicContact OE1-CG 2.7Å; E117-H136 IonicContact OE1-ND1 3.99Å; E117-H136 PolarHBondContact OE1-ND1 2.94Å; E117-H136 WeakPolarHBondContact OE2-CA 3.28Å; E117-H136 VanDerWaalsContact OE2-CB 3.31Å; E117-H136 WeakPolarHBondContact OE2-CB 3.31Å; E117-H136 IonicContact OE2-CG 3.52Å; E117-H136 PolarHBondContact OE2-N 3.28Å; E117-H136 IonicContact OE2-ND1 3.61Å; V134-H136 VanDerWaalsContact C-N 3.34Å; V134-H136 PolarHBondContact O-N 3.01Å; H136-L140 WeakPolarHBondContact O-CB 3.47Å; H136-L140 PolarHBondContact O-N 3.44Å
137	Y	98.7	Very high	97.8	Very high	1 Å²	1	38 Å²	38	0%	0.004	22%	0.219	C	C	.	.	H	α-helix	trans	-59.5	-54.2	172.9	162.7	-103.1	0	0	0	111.1	W114 Y115 E117 I118 F121 V134 Q139 L140 V141	W114-Y137 WeakPolarHBondContact O-CA 3.29Å; W114-Y137 WeakPolarHBondContact O-CB 3.02Å; W114-Y137 PolarHBondContact O-N 3.42Å; Y115-Y137 AromaticContact CD2-CD2 3.92Å; Y115-Y137 HydrophobicContact CD2-CD2 3.92Å; Y115-Y137 HydrophobicContact CD2-CE2 4.12Å; Y115-Y137 HydrophobicContact CE2-CD2 4.11Å; Y115-Y137 AromaticContact CE2-CE2 3.81Å; Y115-Y137 HydrophobicContact CE2-CE2 3.81Å; Y115-Y137 HydrophobicContact CG-CD2 4.45Å; E117-Y137 PolarHBondContact OE2-N 2.88Å; I118-Y137 HydrophobicContact CB-CD2 3.77Å; I118-Y137 HydrophobicContact CB-CE2 3.68Å; I118-Y137 HydrophobicContact CB-CG 4.24Å; I118-Y137 HydrophobicContact CD1-CE2 3.7Å; I118-Y137 HydrophobicContact CG1-CD2 4.31Å; I118-Y137 HydrophobicContact CG1-CE1 4.35Å; I118-Y137 HydrophobicContact CG1-CE2 3.72Å; F121-Y137 HydrophobicContact CB-CD1 4.22Å; F121-Y137 HydrophobicContact CB-CE1 4.22Å; F121-Y137 HydrophobicContact CD1-CD1 4.22Å; F121-Y137 AromaticContact CD1-CE1 3.47Å; F121-Y137 HydrophobicContact CD1-CE1 3.47Å; F121-Y137 VanDerWaalsContact CD1-CE1 3.47Å; F121-Y137 HydrophobicContact CD2-CD1 4.47Å; F121-Y137 HydrophobicContact CD2-CE1 4.42Å; F121-Y137 AromaticContact CE1-CE1 3.83Å; F121-Y137 HydrophobicContact CE1-CE1 3.83Å; F121-Y137 HydrophobicContact CG-CD1 4.06Å; F121-Y137 AromaticContact CG-CE1 3.8Å; F121-Y137 HydrophobicContact CG-CE1 3.8Å; F121-Y137 HydrophobicContact CZ-CE1 4.45Å; V134-Y137 PolarHBondContact O-N 3.39Å; Y137-Q139 VanDerWaalsContact C-N 3.25Å; Y137-Q139 PolarHBondContact O-N 3.07Å; Y137-L140 WeakPolarHBondContact O-CB 2.96Å; Y137-L140 PolarHBondContact O-N 3.46Å; Y137-V141 HydrophobicContact CD1-CG2 4.45Å; Y137-V141 HydrophobicContact CD2-CG1 4.2Å; Y137-V141 HydrophobicContact CD2-CG2 4.33Å; Y137-V141 HydrophobicContact CE1-CG2 3.97Å; Y137-V141 HydrophobicContact CE2-CB 4.47Å; Y137-V141 HydrophobicContact CE2-CG1 3.75Å; Y137-V141 HydrophobicContact CE2-CG2 3.85Å; Y137-V141 WeakPolarHBondContact O-CG2 3.44Å; Y137-V141 PolarHBondContact O-N 3.1Å
138	T	98.6	Very high	97.8	Very high	4 Å²	4	35.6 Å²	35.6	3%	0.025	20%	0.204	C	C	.	.	H	α-helix	trans	-63.4	-32.1	-175.2	53.8	0	0	0	0	112.3	F121 V134 G135 V141 W142 N174 P182	F121-T138 HydrophobicContact CD2-CG2 4.06Å; F121-T138 HydrophobicContact CE2-CG2 3.65Å; F121-T138 HydrophobicContact CZ-CG2 4.13Å; V134-T138 HydrophobicContact CG2-CG2 4.43Å; V134-T138 WeakPolarHBondContact O-CG2 3.17Å; V134-T138 PolarHBondContact O-N 3.41Å; V134-T138 PolarHBondContact O-OG1 2.7Å; V134-T138 VanDerWaalsContact O-OG1 3.1Å; G135-T138 WeakPolarHBondContact CA-OG1 3.37Å; G135-T138 PolarHBondContact O-OG1 3.1Å; T138-V141 CarbonylContact O-C 3.59Å; T138-W142 WeakPolarHBondContact O-CB 3.36Å; T138-W142 PolarHBondContact O-N 3.13Å; T138-W142 VanDerWaalsContact O-N 3.09Å; T138-N174 VanDerWaalsContact CB-OD1 3.25Å; T138-N174 WeakPolarHBondContact CB-OD1 3.43Å; T138-N174 PolarHBondContact OG1-OD1 3.23Å; T138-P182 HydrophobicContact CG2-CB 4.48Å; T138-P182 HydrophobicContact CG2-CG 4.33Å
139	Q	98.8	Very high	97.9	Very high	3 Å²	3	29.5 Å²	29.5	1%	0.014	18%	0.177	C	C	.	.	H	α-helix	trans	-68.1	-44.9	171.9	177	57.6	89.4	0	0	111.8	G135 Y137 V141 W142 T145 Y169 N174	G135-Q139 WeakPolarHBondContact O-CB 3.15Å; G135-Q139 PolarHBondContact O-N 3.33Å; G135-Q139 VanDerWaalsContact O-N 3.1Å; Y137-Q139 VanDerWaalsContact C-N 3.25Å; Y137-Q139 PolarHBondContact O-N 3.07Å; Q139-V141 VanDerWaalsContact C-N 3.25Å; Q139-V141 PolarHBondContact O-N 3.07Å; Q139-W142 WeakPolarHBondContact O-CB 3.43Å; Q139-W142 PolarHBondContact O-N 2.91Å; Q139-W142 VanDerWaalsContact O-N 3.15Å; Q139-T145 PolarHBondContact NE2-OG1 3.25Å; Q139-Y169 HydrophobicContact CG-CD1 4.28Å; Q139-Y169 HydrophobicContact CG-CD2 3.5Å; Q139-Y169 HydrophobicContact CG-CE2 3.99Å; Q139-Y169 HydrophobicContact CG-CG 3.67Å; Q139-N174 PolarHBondContact N-OD1 2.03Å
140	L	98.7	Very high	98	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-58.4	-40.7	179.9	-171.6	163.1	0	0	0	111.1	L47 R48 I111 W114 Y115 H136 Y137	L47-L140 HydrophobicContact CB-CD2 3.86Å; L47-L140 HydrophobicContact CD1-CD1 4Å; L47-L140 HydrophobicContact CD1-CD2 4.09Å; R48-L140 PolarHBondContact NH1-O 3Å; I111-L140 HydrophobicContact CG2-CD1 3.72Å; W114-L140 HydrophobicContact CB-CD1 4.27Å; Y115-L140 HydrophobicContact CD2-CD1 4.43Å; Y115-L140 HydrophobicContact CD2-CD2 3.97Å; H136-L140 WeakPolarHBondContact O-CB 3.47Å; H136-L140 PolarHBondContact O-N 3.44Å; Y137-L140 WeakPolarHBondContact O-CB 2.96Å; Y137-L140 PolarHBondContact O-N 3.46Å
141	V	98.7	Very high	98.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	19.2	178.8	-53.4	0	0	0	0	113.9	V51 M58 Y115 Y137 T138 Q139 Y143 P182 Y183	V51-V141 HydrophobicContact CG1-CB 3.91Å; V51-V141 HydrophobicContact CG1-CG1 3.57Å; M58-V141 HydrophobicContact CE-CB 4.18Å; M58-V141 VanDerWaalsContact CE-O 3.29Å; M58-V141 WeakPolarHBondContact CE-O 3.32Å; Y115-V141 HydrophobicContact CD2-CG1 4.3Å; Y115-V141 HydrophobicContact CE2-CG1 3.94Å; Y137-V141 HydrophobicContact CD1-CG2 4.45Å; Y137-V141 HydrophobicContact CD2-CG1 4.2Å; Y137-V141 HydrophobicContact CD2-CG2 4.33Å; Y137-V141 HydrophobicContact CE1-CG2 3.97Å; Y137-V141 HydrophobicContact CE2-CB 4.47Å; Y137-V141 HydrophobicContact CE2-CG1 3.75Å; Y137-V141 HydrophobicContact CE2-CG2 3.85Å; Y137-V141 WeakPolarHBondContact O-CG2 3.44Å; Y137-V141 PolarHBondContact O-N 3.1Å; T138-V141 CarbonylContact O-C 3.59Å; Q139-V141 VanDerWaalsContact C-N 3.25Å; Q139-V141 PolarHBondContact O-N 3.07Å; V141-Y143 PolarHBondContact O-N 3.17Å; V141-P182 HydrophobicContact CG2-CB 4.11Å; V141-P182 HydrophobicContact CG2-CG 3.84Å; V141-Y183 HydrophobicContact CB-CD1 4.37Å; V141-Y183 HydrophobicContact CB-CE1 4.44Å; V141-Y183 HydrophobicContact CG2-CD1 4.16Å; V141-Y183 HydrophobicContact CG2-CE1 4.07Å
142	W	98.6	Very high	98.3	Very high	1 Å²	1	13.4 Å²	13.4	0%	0.004	8%	0.079	C	C	.	.			trans	-71.9	122.5	-180	-161.3	-97.3	0	0	0	111.2	R48 T138 Q139 S144 T145 G173 N174 N175 R178 P182	R48-W142 PolarHBondContact NH1-O 2.88Å; R48-W142 PolarHBondContact NH2-O 3.25Å; T138-W142 WeakPolarHBondContact O-CB 3.36Å; T138-W142 PolarHBondContact O-N 3.13Å; T138-W142 VanDerWaalsContact O-N 3.09Å; Q139-W142 WeakPolarHBondContact O-CB 3.43Å; Q139-W142 PolarHBondContact O-N 2.91Å; Q139-W142 VanDerWaalsContact O-N 3.15Å; W142-S144 PolarHBondContact NE1-OG 3.04Å; W142-S144 PolarHBondContact O-N 3.09Å; W142-T145 PolarHBondContact O-N 3.02Å; W142-G173 VanDerWaalsContact CD1-CA 3.44Å; W142-G173 VanDerWaalsContact CD2-CA 3.43Å; W142-N174 VanDerWaalsContact CZ3-N 3.27Å; W142-N175 HydrophobicContact CH2-CB 4.18Å; W142-N175 HydrophobicContact CZ2-CB 3.89Å; W142-R178 HydrophobicContact CH2-CB 3.9Å; W142-R178 HydrophobicContact CZ2-CB 4.24Å; W142-P182 WeakPolarHBondContact CA-O 3.5Å; W142-P182 HydrophobicContact CE3-CB 3.58Å; W142-P182 HydrophobicContact CZ3-CB 3.87Å
143	Y	98.2	Very high	98.4	Very high	20 Å²	20	12.7 Å²	12.7	8%	0.078	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-43	-167.2	77.4	-75.6	0	0	0	113.9	R48 N57 L59 V141 R178 P182 I242 Y243	R48-Y143 PolarHBondContact NH2-O 3Å; N57-Y143 HydrophobicContact CB-CD2 4.45Å; N57-Y143 WeakPolarHBondContact ND2-CD2 2.92Å; L59-Y143 VanDerWaalsContact CB-O 3.25Å; L59-Y143 WeakPolarHBondContact CB-O 3.21Å; L59-Y143 WeakPolarHBondContact CG-O 3.47Å; L59-Y143 PolarHBondContact N-O 3.05Å; V141-Y143 PolarHBondContact O-N 3.17Å; Y143-R178 PolarHBondContact OH-NH1 3.43Å; Y143-P182 WeakPolarHBondContact CD1-O 3.48Å; Y143-P182 PolarHBondContact N-O 3.26Å; Y143-I242 HydrophobicContact CD2-CG2 3.47Å; Y143-I242 VanDerWaalsContact CD2-CG2 3.47Å; Y143-I242 HydrophobicContact CE2-CG2 3.69Å; Y143-Y243 WeakPolarHBondContact CE2-O 3.47Å; Y143-Y243 PolarHBondContact OH-O 2.87Å; Y143-Y243 PolarHBondContact OH-OXT 3.5Å; Y143-Y243 VanDerWaalsContact OH-OXT 3.14Å
144	S	96.9	Very high	98.4	Very high	5 Å²	5	13.4 Å²	13.4	4%	0.035	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-12.4	-175.9	57.5	0	0	0	0	113.7	W142 Y146 P171 Y243	W142-S144 PolarHBondContact NE1-OG 3.04Å; W142-S144 PolarHBondContact O-N 3.09Å; S144-Y146 PolarHBondContact O-N 3.27Å; S144-Y146 VanDerWaalsContact O-N 3.13Å; S144-P171 WeakPolarHBondContact O-CD 3.42Å; S144-P171 WeakPolarHBondContact O-CG 3.48Å; S144-Y243 WeakPolarHBondContact CB-OXT 2.95Å; S144-Y243 PolarHBondContact OG-OXT 3.33Å; S144-Y243 VanDerWaalsContact OG-OXT 3.07Å
145	T	98.2	Very high	98.4	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.063	C	C	.	.			trans	-71.3	106.6	173	-61.6	0	0	0	0	109.3	R48 M61 Q139 W142 Y169 P171	R48-T145 PolarHBondContact NH2-O 2.97Å; M61-T145 HydrophobicContact CE-CG2 3.94Å; Q139-T145 PolarHBondContact NE2-OG1 3.25Å; W142-T145 PolarHBondContact O-N 3.02Å; T145-Y169 HydrophobicContact CG2-CD1 3.97Å; T145-Y169 HydrophobicContact CG2-CG 4.25Å; T145-P171 WeakPolarHBondContact CB-O 3.03Å; T145-P171 PolarHBondContact OG1-O 3.06Å
146	Y	98.2	Very high	98.2	Very high	27 Å²	27	14.7 Å²	14.7	11%	0.106	7%	0.071	C	C	.	.			trans	-115.4	-11.9	-178.4	73.9	-84.3	0	0	0	113.2	L59 M61 E62 S144 C170 S204	L59-Y146 HydrophobicContact CD1-CD1 4.19Å; L59-Y146 HydrophobicContact CD1-CG 4.35Å; M61-Y146 CarbonylContact C-O 3.49Å; M61-Y146 WeakPolarHBondContact CA-O 3.43Å; E62-Y146 HydrophobicContact CG-CD2 4.13Å; E62-Y146 WeakPolarHBondContact CG-O 3.18Å; E62-Y146 PolarHBondContact N-O 3.28Å; E62-Y146 WeakPolarHBondContact OE1-CE2 3.35Å; S144-Y146 PolarHBondContact O-N 3.27Å; S144-Y146 VanDerWaalsContact O-N 3.13Å; Y146-C170 PolarHBondContact N-O 3.07Å; Y146-S204 WeakPolarHBondContact CE2-OG 3.32Å
147	Q	98.4	Very high	98	Very high	28 Å²	28	20.3 Å²	20.3	13%	0.131	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	136.4	176.9	-54.5	-168.6	-51.9	0	0	111	E62 Y169 C170	E62-Q147 HydrophobicContact CG-CG 4.06Å; E62-Q147 WeakPolarHBondContact O-CA 3.43Å; E62-Q147 PolarHBondContact OE1-NE2 3.19Å; Q147-Y169 CarbonylContact O-C 3.59Å; Q147-Y169 WeakPolarHBondContact O-CA 3.36Å; Q147-C170 HydrophobicContact CB-CB 4.2Å; Q147-C170 WeakPolarHBondContact CB-O 3.28Å; Q147-C170 PolarHBondContact N-O 3.2Å; Q147-C170 PolarHBondContact O-N 3.45Å
148	V	98.8	Very high	97.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	143.8	171.7	67.7	0	0	0	0	110.3	I40 V41 M61 E62 W63 S64 C167 Q168 Y169	I40-V148 HydrophobicContact CG2-CG1 4.41Å; V41-V148 HydrophobicContact CG2-CG1 4Å; M61-V148 HydrophobicContact CG-CB 3.98Å; M61-V148 HydrophobicContact CG-CG1 3.69Å; M61-V148 HydrophobicContact SD-CB 3.55Å; M61-V148 VanDerWaalsContact SD-CB 3.55Å; M61-V148 HydrophobicContact SD-CG1 3.55Å; M61-V148 VanDerWaalsContact SD-CG1 3.55Å; M61-V148 HydrophobicContact SD-CG2 4.26Å; E62-V148 PolarHBondContact O-N 3.49Å; W63-V148 CarbonylContact C-O 3.38Å; W63-V148 WeakPolarHBondContact CA-O 3.22Å; W63-V148 HydrophobicContact CE3-CG1 4.33Å; S64-V148 PolarHBondContact N-O 3.41Å; V148-C167 HydrophobicContact CG2-CB 4.34Å; V148-Q168 WeakPolarHBondContact CA-O 3.48Å; V148-Y169 HydrophobicContact CB-CD1 4.3Å; V148-Y169 HydrophobicContact CB-CE1 4.35Å; V148-Y169 HydrophobicContact CG2-CD1 3.94Å; V148-Y169 HydrophobicContact CG2-CE1 3.65Å
149	G	98.8	Very high	97.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	137.5	168.2	0	0	0	0	0	109.4	T68 A71 Q168	T68-G149 VanDerWaalsContact OG1-CA 3.25Å; T68-G149 WeakPolarHBondContact OG1-CA 3.27Å; A71-G149 WeakPolarHBondContact CB-O 3.31Å; G149-Q168 PolarHBondContact N-O 2.99Å; G149-Q168 PolarHBondContact O-N 3.19Å
150	C	98.9	Very high	97.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	151	-172.5	-48.8	0	0	0	0	112.5	T31 I40 W63 T68 W107 V166 C167	T31-C150 VanDerWaalsContact CB-O 3.26Å; T31-C150 WeakPolarHBondContact CB-O 3.34Å; T31-C150 HydrophobicContact CG2-CB 4.27Å; T31-C150 VanDerWaalsContact CG2-O 3.29Å; T31-C150 WeakPolarHBondContact CG2-O 3.5Å; T31-C150 PolarHBondContact OG1-O 3.22Å; I40-C150 HydrophobicContact CD1-CB 4.09Å; W63-C150 HydrophobicContact CH2-CB 4Å; W63-C150 VanDerWaalsContact CH2-N 3.35Å; W63-C150 HydrophobicContact CZ3-CB 4.27Å; T68-C150 WeakPolarHBondContact CG2-O 3.4Å; W107-C150 HydrophobicContact CH2-CB 3.55Å; W107-C150 HydrophobicContact CZ2-CB 4.18Å; W107-C150 HydrophobicContact CZ3-CB 3.85Å; C150-V166 CarbonylContact C-O 3.53Å; C150-V166 WeakPolarHBondContact CA-O 3.45Å; C150-V166 WeakPolarHBondContact CB-O 3.42Å; C150-C167 HydrophobicContact CB-CB 4.08Å; C150-C167 WeakPolarHBondContact CB-SG 3.48Å; C150-C167 VanDerWaalsContact SG-CA 3.59Å; C150-C167 WeakPolarHBondContact SG-CB 3.48Å; C150-C167 CovalentContact SG-SG 2.04Å; C150-C167 PolarHBondContact SG-SG 3.13Å
151	G	98.8	Very high	97	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	156.7	173.2	0	0	0	0	0	111.3	V166	G151-V166 PolarHBondContact N-O 2.92Å; G151-V166 PolarHBondContact O-N 2.98Å
152	I	98.6	Very high	96.9	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	141	177.1	-166	-174.3	0	0	0	110	F26 L29 L30 Q72 W107 Y164 Y165	F26-I152 HydrophobicContact CD2-CD1 4.07Å; F26-I152 HydrophobicContact CE2-CD1 3.77Å; F26-I152 HydrophobicContact CE2-CG1 3.88Å; F26-I152 HydrophobicContact CE2-CG2 4.11Å; F26-I152 HydrophobicContact CZ-CG2 4.32Å; L29-I152 HydrophobicContact CB-CD1 3.78Å; L29-I152 HydrophobicContact CD1-CD1 3.93Å; L30-I152 HydrophobicContact CD2-CG2 4.15Å; Q72-I152 PolarHBondContact NE2-O 2.86Å; Q72-I152 VanDerWaalsContact OE1-N 3.09Å; W107-I152 HydrophobicContact CZ2-CB 3.92Å; W107-I152 HydrophobicContact CZ2-CG2 4.46Å; I152-Y164 CarbonylContact C-O 3.59Å; I152-Y164 VanDerWaalsContact CA-O 3.28Å; I152-Y164 WeakPolarHBondContact CA-O 3.4Å; I152-Y165 HydrophobicContact CD1-CD1 3.85Å; I152-Y165 HydrophobicContact CD1-CD2 4.46Å; I152-Y165 HydrophobicContact CD1-CE1 3.38Å; I152-Y165 HydrophobicContact CD1-CE2 4.05Å; I152-Y165 HydrophobicContact CD1-CG 4.36Å; I152-Y165 VanDerWaalsContact CD1-CZ 3.48Å; I152-Y165 HydrophobicContact CG1-CD1 4Å; I152-Y165 HydrophobicContact CG1-CD2 4.33Å; I152-Y165 HydrophobicContact CG1-CE1 4.05Å; I152-Y165 HydrophobicContact CG1-CE2 4.35Å; I152-Y165 HydrophobicContact CG1-CG 4.14Å
153	A	98.1	Very high	96.9	Very high	5 Å²	5	41.5 Å²	41.5	4%	0.041	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	145.4	174.8	0	0	0	0	0	111.5	A75 Y164	A75-A153 VanDerWaalsContact C-CB 3.47Å; A75-A153 HydrophobicContact CB-CB 4.05Å; A75-A153 WeakPolarHBondContact O-CB 3.41Å; A153-Y164 PolarHBondContact N-O 3.34Å; A153-Y164 PolarHBondContact O-N 2.82Å
154	Y	97.4	Very high	96.9	Very high	104 Å²	104	40.6 Å²	40.6	41%	0.408	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	123.6	162.7	174.3	-116.3	0	0	0	108.5	P156 K162 Y163	Y154-P156 HydrophobicContact CD1-CB 4.41Å; Y154-P156 HydrophobicContact CD1-CG 4.45Å; Y154-P156 HydrophobicContact CE1-CB 3.69Å; Y154-P156 HydrophobicContact CE1-CG 4.17Å; Y154-P156 WeakPolarHBondContact O-CD 3.24Å; Y154-K162 CarbonylContact C-O 3.55Å; Y154-K162 WeakPolarHBondContact CA-O 3.37Å; Y154-K162 HydrophobicContact CD2-CB 4Å; Y154-K162 HydrophobicContact CE2-CB 3.63Å; Y154-K162 HydrophobicContact CE2-CD 4Å; Y154-K162 HydrophobicContact CE2-CG 4.43Å; Y154-Y163 HydrophobicContact CD2-CD1 4.09Å; Y154-Y163 AromaticContact CD2-CE1 3.62Å; Y154-Y163 HydrophobicContact CD2-CE1 3.62Å; Y154-Y163 HydrophobicContact CD2-CE2 4.38Å; Y154-Y163 AromaticContact CD2-CZ 3.8Å; Y154-Y163 HydrophobicContact CE2-CE1 4.38Å; Y154-Y163 HydrophobicContact CG-CE1 4.31Å
155	C	97.1	Very high	96.9	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.014	21%	0.209	C	C	.	.			trans	-115.6	77.6	-170.3	-60.5	0	0	0	0	109.7	C78 N157 Q158 K162	C78-C155 WeakPolarHBondContact CA-SG 3.45Å; C78-C155 HydrophobicContact CB-CB 3.62Å; C78-C155 WeakPolarHBondContact CB-SG 3.35Å; C78-C155 WeakPolarHBondContact SG-CA 3.45Å; C78-C155 WeakPolarHBondContact SG-CB 3.36Å; C78-C155 CovalentContact SG-SG 2.04Å; C78-C155 PolarHBondContact SG-SG 3.27Å; C155-N157 PolarHBondContact O-N 2.98Å; C155-N157 VanDerWaalsContact O-N 3.13Å; C155-Q158 HydrophobicContact CB-CG 3.77Å; C155-Q158 PolarHBondContact O-N 2.8Å; C155-Q158 VanDerWaalsContact O-N 3.15Å; C155-K162 PolarHBondContact N-O 2.98Å
156	P	94.3	Very high	97	Very high	68 Å²	68	40.3 Å²	40.3	44%	0.442	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-23.5	-170	23.4	-34.4	0	0	0	114.5	Y154 Q158	Y154-P156 HydrophobicContact CD1-CB 4.41Å; Y154-P156 HydrophobicContact CD1-CG 4.45Å; Y154-P156 HydrophobicContact CE1-CB 3.69Å; Y154-P156 HydrophobicContact CE1-CG 4.17Å; Y154-P156 WeakPolarHBondContact O-CD 3.24Å; P156-Q158 VanDerWaalsContact C-N 3.3Å
157	N	94.2	Very high	97	Very high	157 Å²	157	39 Å²	39	84%	0.84	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-1.8	-178.2	-61.7	-21.3	0	0	0	113.5	C155	C155-N157 PolarHBondContact O-N 2.98Å; C155-N157 VanDerWaalsContact O-N 3.13Å
158	Q	93.7	Very high	97	Very high	61 Å²	61	37.7 Å²	37.7	29%	0.285	20%	0.198	S	C	.	.	S	Bend	trans	-83.5	136.8	173	-62.7	-66.7	-18.4	0	0	110	C78 L80 C155 P156 S160 K162	C78-Q158 PolarHBondContact O-NE2 3.33Å; L80-Q158 HydrophobicContact CD1-CG 3.75Å; L80-Q158 HydrophobicContact CD2-CB 4.47Å; L80-Q158 HydrophobicContact CD2-CG 3.91Å; C155-Q158 HydrophobicContact CB-CG 3.77Å; C155-Q158 PolarHBondContact O-N 2.8Å; C155-Q158 VanDerWaalsContact O-N 3.15Å; P156-Q158 VanDerWaalsContact C-N 3.3Å; Q158-S160 VanDerWaalsContact C-N 3.29Å; Q158-S160 WeakPolarHBondContact CB-O 3.45Å; Q158-S160 PolarHBondContact O-N 3.15Å; Q158-K162 HydrophobicContact CB-CG 4.49Å; Q158-K162 WeakPolarHBondContact O-CE 3.32Å
159	D	91.5	Very high	97	Very high	166 Å²	166	37.7 Å²	37.7	89%	0.888	20%	0.198	S	C	*	.	S	Bend	trans	-65	-34.3	-179.2	-69.7	-30.2	0	0	0	112.3
160	S	94	Very high	97	Very high	71 Å²	71	37.7 Å²	37.7	50%	0.497	20%	0.198	S	C	.	.	S	Bend	trans	-142.4	173	173.9	63.4	0	0	0	0	109.8	Q158 K162	Q158-S160 VanDerWaalsContact C-N 3.29Å; Q158-S160 WeakPolarHBondContact CB-O 3.45Å; Q158-S160 PolarHBondContact O-N 3.15Å; S160-K162 PolarHBondContact O-N 2.92Å
161	L	95.4	Very high	96.8	Very high	66 Å²	66	38.3 Å²	38.3	35%	0.346	20%	0.201	S	C	.	.			trans	56.2	48.7	174.4	-53.8	177.5	0	0	0	114.1	M100 S101 Y163	M100-L161 HydrophobicContact CB-CB 3.94Å; M100-L161 HydrophobicContact CB-CD1 4.15Å; S101-L161 CarbonylContact O-C 3.11Å; S101-L161 VanDerWaalsContact O-CA 3.26Å; S101-L161 WeakPolarHBondContact O-CA 3.39Å; L161-Y163 PolarHBondContact O-N 3.46Å
162	K	96.5	Very high	96.7	Very high	70 Å²	70	39.5 Å²	39.5	30%	0.304	21%	0.212	S	C	.	.			trans	-69.8	-9.8	-172	-63.3	-177.5	174.9	-178.2	0	114.5	S101 Y154 C155 Q158 S160	S101-K162 PolarHBondContact O-N 2.92Å; S101-K162 VanDerWaalsContact O-N 3.14Å; Y154-K162 CarbonylContact C-O 3.55Å; Y154-K162 WeakPolarHBondContact CA-O 3.37Å; Y154-K162 HydrophobicContact CD2-CB 4Å; Y154-K162 HydrophobicContact CE2-CB 3.63Å; Y154-K162 HydrophobicContact CE2-CD 4Å; Y154-K162 HydrophobicContact CE2-CG 4.43Å; C155-K162 PolarHBondContact N-O 2.98Å; Q158-K162 HydrophobicContact CB-CG 4.49Å; Q158-K162 WeakPolarHBondContact O-CE 3.32Å; S160-K162 PolarHBondContact O-N 2.92Å
163	Y	97.9	Very high	96.6	Very high	20 Å²	20	39.9 Å²	39.9	8%	0.078	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	116.7	176.9	-62.1	-82.2	0	0	0	109.9	D23 F26 M100 S101 S102 P104 Y154 L161	D23-Y163 PolarHBondContact OD2-OH 3.43Å; F26-Y163 HydrophobicContact CB-CE1 3.98Å; F26-Y163 AromaticContact CD2-CD1 3.58Å; F26-Y163 HydrophobicContact CD2-CD1 3.58Å; F26-Y163 AromaticContact CD2-CE1 3.61Å; F26-Y163 HydrophobicContact CD2-CE1 3.61Å; F26-Y163 HydrophobicContact CE2-CD1 4.1Å; F26-Y163 HydrophobicContact CE2-CE1 4.43Å; F26-Y163 HydrophobicContact CG-CD1 4.45Å; F26-Y163 HydrophobicContact CG-CE1 4.05Å; M100-Y163 VanDerWaalsContact CA-O 3.3Å; M100-Y163 WeakPolarHBondContact CA-O 3.2Å; S101-Y163 PolarHBondContact N-O 3.14Å; S101-Y163 PolarHBondContact O-N 2.86Å; S102-Y163 WeakPolarHBondContact O-CD2 3.43Å; S102-Y163 VanDerWaalsContact O-CE2 3.23Å; S102-Y163 WeakPolarHBondContact O-CE2 3.37Å; P104-Y163 VanDerWaalsContact CD-CE2 3.43Å; P104-Y163 HydrophobicContact CG-CD1 4.44Å; P104-Y163 HydrophobicContact CG-CE1 3.8Å; P104-Y163 HydrophobicContact CG-CE2 3.96Å; Y154-Y163 HydrophobicContact CD2-CD1 4.09Å; Y154-Y163 AromaticContact CD2-CE1 3.62Å; Y154-Y163 HydrophobicContact CD2-CE1 3.62Å; Y154-Y163 HydrophobicContact CD2-CE2 4.38Å; Y154-Y163 AromaticContact CD2-CZ 3.8Å; Y154-Y163 HydrophobicContact CE2-CE1 4.38Å; Y154-Y163 HydrophobicContact CG-CE1 4.31Å; L161-Y163 PolarHBondContact O-N 3.46Å
164	Y	98.4	Very high	96.5	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	119.7	-174.8	-177.4	-148	0	0	0	111	W74 L80 Q81 L98 M100 I152 A153 V166	W74-Y164 PolarHBondContact NE1-OH 2.95Å; W74-Y164 VanDerWaalsContact NE1-OH 3.16Å; L80-Y164 HydrophobicContact CD1-CD1 4.37Å; L80-Y164 HydrophobicContact CD1-CG 4.29Å; Q81-Y164 PolarHBondContact O-OH 3.29Å; L98-Y164 HydrophobicContact CB-CE2 4.23Å; L98-Y164 HydrophobicContact CD1-CE2 4.09Å; L98-Y164 WeakPolarHBondContact CD1-OH 3.27Å; L98-Y164 HydrophobicContact CD2-CE2 3.81Å; L98-Y164 VanDerWaalsContact CD2-OH 3.31Å; L98-Y164 WeakPolarHBondContact CD2-OH 3.45Å; L98-Y164 HydrophobicContact CG-CE2 4.27Å; M100-Y164 HydrophobicContact CG-CD2 3.82Å; M100-Y164 HydrophobicContact CG-CE2 4.34Å; M100-Y164 HydrophobicContact SD-CD2 4.21Å; M100-Y164 HydrophobicContact SD-CE2 4.18Å; I152-Y164 CarbonylContact C-O 3.59Å; I152-Y164 VanDerWaalsContact CA-O 3.28Å; I152-Y164 WeakPolarHBondContact CA-O 3.4Å; A153-Y164 PolarHBondContact N-O 3.34Å; A153-Y164 PolarHBondContact O-N 2.82Å; Y164-V166 HydrophobicContact CD1-CG2 4.26Å; Y164-V166 HydrophobicContact CD2-CG2 4.39Å; Y164-V166 HydrophobicContact CE1-CG2 3.79Å; Y164-V166 HydrophobicContact CE2-CG2 3.95Å
165	Y	98.8	Very high	96.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	131	-176.8	-59.4	-114.4	0	0	0	108.9	L29 L98 Y99 T105 W107 I152	L29-Y165 HydrophobicContact CD1-CE1 4.41Å; L29-Y165 VanDerWaalsContact CD1-OH 3.31Å; L29-Y165 WeakPolarHBondContact CD1-OH 3.41Å; L98-Y165 WeakPolarHBondContact CA-O 3.36Å; Y99-Y165 AromaticContact CD1-CD2 3.71Å; Y99-Y165 HydrophobicContact CD1-CD2 3.71Å; Y99-Y165 HydrophobicContact CD1-CE2 4.01Å; Y99-Y165 HydrophobicContact CD1-CG 4.16Å; Y99-Y165 HydrophobicContact CE1-CE2 4.42Å; Y99-Y165 PolarHBondContact N-O 3.34Å; Y99-Y165 WeakPolarHBondContact O-CB 3.45Å; Y99-Y165 WeakPolarHBondContact O-CD2 3.02Å; Y99-Y165 PolarHBondContact O-N 3.49Å; T105-Y165 WeakPolarHBondContact CA-OH 3.37Å; T105-Y165 PolarHBondContact N-OH 2.53Å; T105-Y165 WeakPolarHBondContact O-CE1 3.41Å; T105-Y165 PolarHBondContact O-OH 3.29Å; W107-Y165 HydrophobicContact CD2-CD1 4.09Å; W107-Y165 HydrophobicContact CD2-CE1 4.42Å; W107-Y165 AromaticContact CE3-CD1 3.92Å; W107-Y165 HydrophobicContact CE3-CD1 3.92Å; W107-Y165 AromaticContact CH2-CD1 3.68Å; W107-Y165 HydrophobicContact CH2-CD1 3.68Å; W107-Y165 HydrophobicContact CH2-CG 4.32Å; W107-Y165 AromaticContact CZ2-CD1 3.86Å; W107-Y165 HydrophobicContact CZ2-CD1 3.86Å; W107-Y165 AromaticContact CZ3-CD1 3.71Å; W107-Y165 HydrophobicContact CZ3-CD1 3.71Å; W107-Y165 HydrophobicContact CZ3-CG 4.39Å; I152-Y165 HydrophobicContact CD1-CD1 3.85Å; I152-Y165 HydrophobicContact CD1-CD2 4.46Å; I152-Y165 HydrophobicContact CD1-CE1 3.38Å; I152-Y165 HydrophobicContact CD1-CE2 4.05Å; I152-Y165 HydrophobicContact CD1-CG 4.36Å; I152-Y165 VanDerWaalsContact CD1-CZ 3.48Å; I152-Y165 HydrophobicContact CG1-CD1 4Å; I152-Y165 HydrophobicContact CG1-CD2 4.33Å; I152-Y165 HydrophobicContact CG1-CE1 4.05Å; I152-Y165 HydrophobicContact CG1-CE2 4.35Å; I152-Y165 HydrophobicContact CG1-CG 4.14Å
166	V	98.9	Very high	95.9	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	120.2	179.3	-177.3	0	0	0	0	107.6	A71 A75 E96 L98 C150 G151 Y164 Q168	A71-V166 HydrophobicContact CB-CB 4.43Å; A71-V166 HydrophobicContact CB-CG1 4.03Å; A75-V166 HydrophobicContact CB-CB 4.27Å; A75-V166 HydrophobicContact CB-CG2 3.69Å; E96-V166 HydrophobicContact CG-CG1 4Å; E96-V166 WeakPolarHBondContact OE2-CG1 3.3Å; L98-V166 HydrophobicContact CD2-CB 4.14Å; L98-V166 HydrophobicContact CD2-CG1 3.94Å; L98-V166 HydrophobicContact CD2-CG2 3.8Å; C150-V166 CarbonylContact C-O 3.53Å; C150-V166 WeakPolarHBondContact CA-O 3.45Å; C150-V166 WeakPolarHBondContact CB-O 3.42Å; G151-V166 PolarHBondContact N-O 2.92Å; G151-V166 PolarHBondContact O-N 2.98Å; Y164-V166 HydrophobicContact CD1-CG2 4.26Å; Y164-V166 HydrophobicContact CD2-CG2 4.39Å; Y164-V166 HydrophobicContact CE1-CG2 3.79Å; Y164-V166 HydrophobicContact CE2-CG2 3.95Å; V166-Q168 HydrophobicContact CG1-CG 4.33Å
167	C	98.9	Very high	95.6	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129.5	165.1	-76.9	0	0	0	0	109	E96 N97 W107 W114 V148 C150 Y169	E96-C167 CarbonylContact C-O 3.54Å; E96-C167 WeakPolarHBondContact CA-O 3.23Å; N97-C167 PolarHBondContact N-O 3.07Å; N97-C167 PolarHBondContact O-N 3.31Å; W107-C167 VanDerWaalsContact CZ3-SG 3.55Å; W114-C167 HydrophobicContact CH2-CB 3.74Å; W114-C167 HydrophobicContact CZ3-CB 3.91Å; V148-C167 HydrophobicContact CG2-CB 4.34Å; C150-C167 HydrophobicContact CB-CB 4.08Å; C150-C167 WeakPolarHBondContact CB-SG 3.48Å; C150-C167 VanDerWaalsContact SG-CA 3.59Å; C150-C167 WeakPolarHBondContact SG-CB 3.48Å; C150-C167 CovalentContact SG-SG 2.04Å; C150-C167 PolarHBondContact SG-SG 3.13Å; C167-Y169 HydrophobicContact CB-CE2 3.73Å; C167-Y169 WeakPolarHBondContact O-CD2 3.47Å; C167-Y169 VanDerWaalsContact O-CE2 3.29Å; C167-Y169 WeakPolarHBondContact O-CE2 3.48Å
168	Q	98.9	Very high	95.4	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	149.7	172.5	-69	178.6	4.5	0	0	110.3	V67 A71 R88 G95 E96 V148 G149 V166	V67-Q168 HydrophobicContact CG1-CB 3.52Å; V67-Q168 VanDerWaalsContact CG1-O 3.25Å; V67-Q168 WeakPolarHBondContact CG1-O 3.37Å; A71-Q168 HydrophobicContact CB-CB 4.35Å; A71-Q168 HydrophobicContact CB-CG 4.04Å; R88-Q168 HydrophobicContact CG-CG 4.38Å; G95-Q168 CarbonylContact O-C 3.39Å; G95-Q168 WeakPolarHBondContact O-CA 3.31Å; E96-Q168 HydrophobicContact CB-CG 4.27Å; E96-Q168 HydrophobicContact CG-CG 4.18Å; E96-Q168 PolarHBondContact OE2-NE2 3.26Å; V148-Q168 WeakPolarHBondContact CA-O 3.48Å; G149-Q168 PolarHBondContact N-O 2.99Å; G149-Q168 PolarHBondContact O-N 3.19Å; V166-Q168 HydrophobicContact CG1-CG 4.33Å
169	Y	98.7	Very high	95.4	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	120.2	-163.7	-67.8	-81.5	0	0	0	111	H44 M61 C94 G95 N97 W114 Q139 T145 Q147 V148 C167 P171 A172	H44-Y169 AromaticContact CD2-CE1 3.81Å; H44-Y169 AromaticContact NE2-CE1 3.37Å; H44-Y169 WeakPolarHBondContact NE2-CE1 3.34Å; H44-Y169 AromaticContact NE2-CZ 3.59Å; H44-Y169 PolarHBondContact NE2-OH 3.5Å; M61-Y169 HydrophobicContact CE-CD1 3.96Å; M61-Y169 HydrophobicContact CE-CE1 4.14Å; M61-Y169 HydrophobicContact SD-CE1 4.45Å; C94-Y169 CarbonylContact C-O 3.51Å; C94-Y169 WeakPolarHBondContact CA-O 3.46Å; C94-Y169 WeakPolarHBondContact CB-O 3.23Å; G95-Y169 PolarHBondContact N-O 2.84Å; G95-Y169 PolarHBondContact O-N 3.27Å; N97-Y169 HydrophobicContact CB-CE2 3.69Å; N97-Y169 PolarHBondContact ND2-OH 3.05Å; W114-Y169 VanDerWaalsContact CZ3-OH 3.27Å; W114-Y169 WeakPolarHBondContact CZ3-OH 3.28Å; Q139-Y169 HydrophobicContact CG-CD1 4.28Å; Q139-Y169 HydrophobicContact CG-CD2 3.5Å; Q139-Y169 HydrophobicContact CG-CE2 3.99Å; Q139-Y169 HydrophobicContact CG-CG 3.67Å; T145-Y169 HydrophobicContact CG2-CD1 3.97Å; T145-Y169 HydrophobicContact CG2-CG 4.25Å; Q147-Y169 CarbonylContact O-C 3.59Å; Q147-Y169 WeakPolarHBondContact O-CA 3.36Å; V148-Y169 HydrophobicContact CB-CD1 4.3Å; V148-Y169 HydrophobicContact CB-CE1 4.35Å; V148-Y169 HydrophobicContact CG2-CD1 3.94Å; V148-Y169 HydrophobicContact CG2-CE1 3.65Å; C167-Y169 HydrophobicContact CB-CE2 3.73Å; C167-Y169 WeakPolarHBondContact O-CD2 3.47Å; C167-Y169 VanDerWaalsContact O-CE2 3.29Å; C167-Y169 WeakPolarHBondContact O-CE2 3.48Å; Y169-P171 CarbonylContact C-O 3.29Å; Y169-P171 CarbonylContact O-C 3.59Å; Y169-P171 VanDerWaalsContact O-C 3.29Å; Y169-A172 PolarHBondContact O-N 2.88Å
170	C	97.4	Very high	95.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	133.4	-175.8	-43.9	0	0	0	0	111.2	V67 T92 C94 Y146 Q147	V67-C170 HydrophobicContact CG2-CB 4.29Å; V67-C170 WeakPolarHBondContact CG2-SG 3.4Å; T92-C170 HydrophobicContact CG2-CB 3.9Å; C94-C170 HydrophobicContact CB-CB 4.11Å; C94-C170 WeakPolarHBondContact CB-SG 3.47Å; C94-C170 WeakPolarHBondContact SG-CB 3.48Å; C94-C170 CovalentContact SG-SG 2.02Å; C94-C170 PolarHBondContact SG-SG 3.44Å; Y146-C170 PolarHBondContact N-O 3.07Å; Q147-C170 HydrophobicContact CB-CB 4.2Å; Q147-C170 WeakPolarHBondContact CB-O 3.28Å; Q147-C170 PolarHBondContact N-O 3.2Å; Q147-C170 PolarHBondContact O-N 3.45Å
171	P	95.8	Very high	95.8	Very high	12 Å²	12	44 Å²	44	8%	0.078	22%	0.223	C	C	.	.	S	Bend	cis	-43.5	152.9	-20.9	-26.2	28	0	0	0	115.3	S144 T145 Y169 G173 Q208	S144-P171 WeakPolarHBondContact O-CD 3.42Å; S144-P171 WeakPolarHBondContact O-CG 3.48Å; T145-P171 WeakPolarHBondContact CB-O 3.03Å; T145-P171 PolarHBondContact OG1-O 3.06Å; Y169-P171 CarbonylContact C-O 3.29Å; Y169-P171 CarbonylContact O-C 3.59Å; Y169-P171 VanDerWaalsContact O-C 3.29Å; P171-G173 PolarHBondContact O-N 3.48Å; P171-Q208 HydrophobicContact CG-CG 4.4Å; P171-Q208 VanDerWaalsContact CG-NE2 3.29Å
172	A	96.1	Very high	95.9	Very high	26 Å²	26	40.9 Å²	40.9	22%	0.215	21%	0.206	C	C	.	.			trans	-57.3	134.6	163.3	0	0	0	0	0	110.8	R93 Y169	R93-A172 PolarHBondContact O-N 3.4Å; Y169-A172 PolarHBondContact O-N 2.88Å
173	G	96.6	Very high	96	Very high	9 Å²	9	37.7 Å²	37.7	9%	0.093	19%	0.193	C	C	.	.			trans	-89.8	-158.3	171	0	0	0	0	0	112.6	W142 P171 N175	W142-G173 VanDerWaalsContact CD1-CA 3.44Å; W142-G173 VanDerWaalsContact CD2-CA 3.43Å; P171-G173 PolarHBondContact O-N 3.48Å; G173-N175 PolarHBondContact O-N 3.44Å; G173-N175 VanDerWaalsContact O-N 3.17Å
174	N	96.8	Very high	96	Very high	51 Å²	51	42.7 Å²	42.7	27%	0.273	22%	0.217	S	C	.	.			trans	57.6	31.6	171.3	-63.1	-15.3	0	0	0	114.8	G135 T138 Q139 W142 M176	G135-N174 PolarHBondContact O-ND2 3.37Å; T138-N174 VanDerWaalsContact CB-OD1 3.25Å; T138-N174 WeakPolarHBondContact CB-OD1 3.43Å; T138-N174 PolarHBondContact OG1-OD1 3.23Å; Q139-N174 PolarHBondContact N-OD1 2.03Å; W142-N174 VanDerWaalsContact CZ3-N 3.27Å; N174-M176 PolarHBondContact O-N 2.86Å
175	N	91.6	Very high	96	Very high	95 Å²	95	48.2 Å²	48.2	51%	0.508	24%	0.242	S	C	.	.			trans	-57.3	128.1	171.1	-73.3	-37.5	0	0	0	110.1	W142 G173 N177 R178 K179	W142-N175 HydrophobicContact CH2-CB 4.18Å; W142-N175 HydrophobicContact CZ2-CB 3.89Å; G173-N175 PolarHBondContact O-N 3.44Å; G173-N175 VanDerWaalsContact O-N 3.17Å; N175-N177 PolarHBondContact O-N 3.47Å; N175-R178 CarbonylContact O-C 3.43Å; N175-R178 PolarHBondContact O-N 3.02Å; N175-K179 PolarHBondContact O-N 3.39Å
176	M	89.6	Confident	96	Very high	139 Å²	139	49.6 Å²	49.6	69%	0.685	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-35.2	-172.4	-74.2	-64.8	-70.8	0	0	114	N174 R178 K179	N174-M176 PolarHBondContact O-N 2.86Å; M176-R178 VanDerWaalsContact C-N 3.31Å; M176-R178 PolarHBondContact O-N 3.34Å; M176-K179 HydrophobicContact SD-CD 4.2Å
177	N	87.2	Confident	96	Very high	131 Å²	131	54.5 Å²	54.5	70%	0.701	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-15.2	-178.9	-63.2	-14.7	0	0	0	113.9	N175	N175-N177 PolarHBondContact O-N 3.47Å
178	R	91.2	Very high	96	Very high	121 Å²	121	57.7 Å²	57.7	46%	0.457	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.8	6.7	-176.2	-68.1	-167.9	175.7	-171.8	0.2	113.5	W142 Y143 N175 M176 N180 T181	W142-R178 HydrophobicContact CH2-CB 3.9Å; W142-R178 HydrophobicContact CZ2-CB 4.24Å; Y143-R178 PolarHBondContact OH-NH1 3.43Å; N175-R178 CarbonylContact O-C 3.43Å; N175-R178 PolarHBondContact O-N 3.02Å; M176-R178 VanDerWaalsContact C-N 3.31Å; M176-R178 PolarHBondContact O-N 3.34Å; R178-N180 PolarHBondContact O-N 2.01Å; R178-N180 VanDerWaalsContact O-N 3.09Å; R178-T181 CarbonylContact O-C 3.59Å; R178-T181 WeakPolarHBondContact O-CA 3.37Å; R178-T181 PolarHBondContact O-N 3.1Å; R178-T181 VanDerWaalsContact O-O 3.12Å; R178-T181 PolarHBondContact O-OG1 2.91Å
179	K	92.8	Very high	96	Very high	84 Å²	84	58 Å²	58	37%	0.365	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-28.3	-174.3	68.2	176.6	-175.8	174	0	114	N175 M176 T181	N175-K179 PolarHBondContact O-N 3.39Å; M176-K179 HydrophobicContact SD-CD 4.2Å; K179-T181 VanDerWaalsContact C-N 3.35Å
180	N	96.9	Very high	96	Very high	48 Å²	48	61.2 Å²	61.2	26%	0.257	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-6.1	177.6	-62.2	-13	0	0	0	113.3	F121 G124 V125 G126 R178	F121-N180 WeakPolarHBondContact CZ-O 2.96Å; G124-N180 WeakPolarHBondContact CA-O 3.48Å; G124-N180 PolarHBondContact N-O 2.97Å; V125-N180 PolarHBondContact O-ND2 3.1Å; G126-N180 VanDerWaalsContact CA-CG 3.45Å; G126-N180 WeakPolarHBondContact CA-OD1 3.34Å; R178-N180 PolarHBondContact O-N 2.01Å; R178-N180 VanDerWaalsContact O-N 3.09Å
181	T	97.9	Very high	95.9	Very high	52 Å²	52	63 Å²	63	32%	0.319	35%	0.354	S	S	.	.			trans	-135.3	68.2	178.1	55.6	0	0	0	0	108.5	Y123 R178 K179 Y183	Y123-T181 HydrophobicContact CE1-CG2 4.22Å; R178-T181 CarbonylContact O-C 3.59Å; R178-T181 WeakPolarHBondContact O-CA 3.37Å; R178-T181 PolarHBondContact O-N 3.1Å; R178-T181 VanDerWaalsContact O-O 3.12Å; R178-T181 PolarHBondContact O-OG1 2.91Å; K179-T181 VanDerWaalsContact C-N 3.35Å; T181-Y183 PolarHBondContact O-N 2.73Å
182	P	98.2	Very high	96.1	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	35%	0.351	C	S	.	.	S	Bend	trans	-65.7	-10.2	-171.1	27	-35.7	0	0	0	113.9	F121 T138 V141 W142 Y143	F121-P182 HydrophobicContact CZ-CG 4.36Å; T138-P182 HydrophobicContact CG2-CB 4.48Å; T138-P182 HydrophobicContact CG2-CG 4.33Å; V141-P182 HydrophobicContact CG2-CB 4.11Å; V141-P182 HydrophobicContact CG2-CG 3.84Å; W142-P182 WeakPolarHBondContact CA-O 3.5Å; W142-P182 HydrophobicContact CE3-CB 3.58Å; W142-P182 HydrophobicContact CZ3-CB 3.87Å; Y143-P182 WeakPolarHBondContact CD1-O 3.48Å; Y143-P182 PolarHBondContact N-O 3.26Å
183	Y	98.5	Very high	96.1	Very high	4 Å²	4	66 Å²	66	2%	0.016	37%	0.371	C	S	.	.	S	Bend	trans	-149.7	168.6	173.5	53.3	-97.8	0	0	0	109.7	V51 P53 A55 M58 Y123 V141 T181	V51-Y183 HydrophobicContact CB-CE1 3.93Å; V51-Y183 HydrophobicContact CG1-CE1 4.1Å; V51-Y183 HydrophobicContact CG2-CE1 4.14Å; V51-Y183 HydrophobicContact CG2-CE2 4.21Å; P53-Y183 HydrophobicContact CG-CE2 4.43Å; P53-Y183 WeakPolarHBondContact O-CE2 3.32Å; P53-Y183 VanDerWaalsContact O-CZ 3.3Å; P53-Y183 PolarHBondContact O-OH 2.95Å; A55-Y183 HydrophobicContact CB-CD2 3.35Å; A55-Y183 HydrophobicContact CB-CE2 3.93Å; A55-Y183 HydrophobicContact CB-CG 3.7Å; M58-Y183 HydrophobicContact CE-CD1 3.48Å; M58-Y183 VanDerWaalsContact CE-CD1 3.48Å; M58-Y183 HydrophobicContact CE-CE1 4.25Å; M58-Y183 HydrophobicContact CE-CG 3.68Å; Y123-Y183 HydrophobicContact CD2-CE1 4.31Å; Y123-Y183 AromaticContact CD2-CE2 3.88Å; Y123-Y183 HydrophobicContact CD2-CE2 3.88Å; Y123-Y183 AromaticContact CD2-CZ 3.73Å; Y123-Y183 AromaticContact CE2-CD2 3.76Å; Y123-Y183 HydrophobicContact CE2-CD2 3.76Å; Y123-Y183 HydrophobicContact CE2-CE1 4.28Å; Y123-Y183 AromaticContact CE2-CE2 3.45Å; Y123-Y183 HydrophobicContact CE2-CE2 3.45Å; Y123-Y183 VanDerWaalsContact CE2-CE2 3.45Å; Y123-Y183 HydrophobicContact CE2-CG 4.32Å; Y123-Y183 AromaticContact CE2-CZ 3.74Å; Y123-Y183 WeakPolarHBondContact CE2-O 2.95Å; Y123-Y183 PolarHBondContact OH-O 2.86Å; V141-Y183 HydrophobicContact CB-CD1 4.37Å; V141-Y183 HydrophobicContact CB-CE1 4.44Å; V141-Y183 HydrophobicContact CG2-CD1 4.16Å; V141-Y183 HydrophobicContact CG2-CE1 4.07Å; T181-Y183 PolarHBondContact O-N 2.73Å
184	Q	98	Very high	96.2	Very high	125 Å²	125	72.8 Å²	72.8	58%	0.584	41%	0.405	S	S	*	.			trans	-86.9	122.6	174.7	-173.9	153	13.6	0	0	110.5	A55 S56 N57 G186	A55-Q184 CarbonylContact C-O 3.58Å; A55-Q184 VanDerWaalsContact CA-O 3.31Å; A55-Q184 WeakPolarHBondContact CA-O 3.34Å; S56-Q184 PolarHBondContact N-O 2.78Å; S56-Q184 PolarHBondContact OG-O 3.36Å; N57-Q184 PolarHBondContact OD1-N 2.82Å; Q184-G186 PolarHBondContact O-N 2.86Å
185	Q	98.3	Very high	96.2	Very high	116 Å²	116	73.4 Å²	73.4	54%	0.542	41%	0.409	S	S	.	.	B	Isolated β-bridge	trans	-62.8	134	174.9	174.7	175.3	4.3	0	0	110.9	P53 P54 Y123	P53-Q185 HydrophobicContact CB-CG 3.89Å; P53-Q185 HydrophobicContact CG-CB 4.3Å; P53-Q185 HydrophobicContact CG-CG 4Å; P54-Q185 WeakPolarHBondContact O-CA 3.38Å; Y123-Q185 HydrophobicContact CE1-CB 3.92Å; Y123-Q185 PolarHBondContact OH-N 2.99Å; Y123-Q185 VanDerWaalsContact OH-N 3.1Å
186	G	98.4	Very high	96.6	Very high	28 Å²	28	71.8 Å²	71.8	29%	0.289	40%	0.404	S	S	.	.	S	Bend	trans	163.4	-177.7	174.1	0	0	0	0	0	113	P54 Q184	P54-G186 CarbonylContact C-O 3.51Å; P54-G186 VanDerWaalsContact C-O 3.3Å; P54-G186 WeakPolarHBondContact CB-O 3.19Å; P54-G186 PolarHBondContact O-N 3.1Å; P54-G186 VanDerWaalsContact O-O 3.07Å; Q184-G186 PolarHBondContact O-N 2.86Å
187	T	98.5	Very high	97	Very high	104 Å²	104	67.5 Å²	67.5	64%	0.638	38%	0.384	S	S	*	.	S	Bend	trans	-57.9	133.3	175.6	-56.2	0	0	0	0	110.2	S56 C189 A190	S56-T187 VanDerWaalsContact CA-O 3.29Å; S56-T187 WeakPolarHBondContact CA-O 3.4Å; S56-T187 WeakPolarHBondContact CB-O 3.05Å; T187-C189 PolarHBondContact O-N 3.4Å; T187-A190 VanDerWaalsContact O-CB 3.23Å; T187-A190 WeakPolarHBondContact O-CB 3.19Å; T187-A190 PolarHBondContact O-N 2.93Å
188	P	98.7	Very high	97.5	Very high	67 Å²	67	69.5 Å²	69.5	44%	0.435	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.3	131.6	177.1	-30.5	36.4	0	0	0	112.8	P54 A55 A190	P54-P188 HydrophobicContact CB-CG 4.23Å; A55-P188 WeakPolarHBondContact O-CA 3.23Å; P188-A190 PolarHBondContact O-N 2.67Å
189	C	98.6	Very high	97.8	Very high	7 Å²	7	64.7 Å²	64.7	5%	0.047	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	11	-176.3	-59.7	0	0	0	0	117.4	S56 T187 G191 C192 C196 G199	S56-C189 CarbonylContact O-C 3.6Å; S56-C189 WeakPolarHBondContact O-CA 3.06Å; T187-C189 PolarHBondContact O-N 3.4Å; C189-G191 PolarHBondContact O-N 2.82Å; C189-G191 VanDerWaalsContact O-N 3.13Å; C189-C192 VanDerWaalsContact CA-SG 3.55Å; C189-C192 CarbonylContact O-C 3.21Å; C189-C192 PolarHBondContact O-N 3.09Å; C189-C196 HydrophobicContact CB-CB 3.47Å; C189-C196 VanDerWaalsContact CB-CB 3.47Å; C189-C196 WeakPolarHBondContact CB-SG 3.24Å; C189-C196 WeakPolarHBondContact SG-CB 2.97Å; C189-C196 CovalentContact SG-SG 2.03Å; C189-C196 PolarHBondContact SG-SG 3.2Å; C189-G199 VanDerWaalsContact SG-CA 3.54Å
190	A	98.3	Very high	98.1	Very high	66 Å²	66	60.8 Å²	60.8	55%	0.545	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-21.3	176.2	0	0	0	0	0	113.6	S56 T187 P188	S56-A190 PolarHBondContact O-N 3.33Å; T187-A190 VanDerWaalsContact O-CB 3.23Å; T187-A190 WeakPolarHBondContact O-CB 3.19Å; T187-A190 PolarHBondContact O-N 2.93Å; P188-A190 PolarHBondContact O-N 2.67Å
191	G	97.1	Very high	98.2	Very high	37 Å²	37	58.5 Å²	58.5	38%	0.381	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-4.1	172.3	0	0	0	0	0	114.8	S56 C189	S56-G191 PolarHBondContact O-N 3.47Å; C189-G191 PolarHBondContact O-N 2.82Å; C189-G191 VanDerWaalsContact O-N 3.13Å
192	C	98	Very high	98.2	Very high	2 Å²	2	59.4 Å²	59.4	1%	0.014	35%	0.351	C	S	.	.			trans	-151.3	56.3	-174.9	59.9	0	0	0	0	111.3	C189 D194 D195 C201 N203	C189-C192 VanDerWaalsContact CA-SG 3.55Å; C189-C192 CarbonylContact O-C 3.21Å; C189-C192 PolarHBondContact O-N 3.09Å; C192-D194 PolarHBondContact O-N 3.39Å; C192-D194 VanDerWaalsContact O-N 3.14Å; C192-D195 HydrophobicContact CB-CB 4.33Å; C192-D195 CarbonylContact O-C 3.4Å; C192-D195 PolarHBondContact O-N 2.93Å; C192-C201 HydrophobicContact CB-CB 3.63Å; C192-C201 WeakPolarHBondContact CB-SG 3.26Å; C192-C201 WeakPolarHBondContact SG-CA 3.15Å; C192-C201 WeakPolarHBondContact SG-CB 3.2Å; C192-C201 CovalentContact SG-SG 2.02Å; C192-C201 PolarHBondContact SG-SG 3.44Å; C192-N203 WeakPolarHBondContact CB-OD1 3.32Å
193	P	97.3	Very high	98.2	Very high	99 Å²	99	60 Å²	60	64%	0.643	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-32.4	-170.4	23.3	-34.5	0	0	0	113.9
194	D	97.6	Very high	98.1	Very high	152 Å²	152	61.3 Å²	61.3	81%	0.813	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-7.8	-178.9	-58.2	-48	0	0	0	113.6	C192	C192-D194 PolarHBondContact O-N 3.39Å; C192-D194 VanDerWaalsContact O-N 3.14Å
195	D	98.2	Very high	98	Very high	64 Å²	64	55.6 Å²	55.6	34%	0.342	34%	0.338	S	S	.	.	S	Bend	trans	-129	47.8	-172.2	-67.7	-80.9	0	0	0	111.2	C192 C201 T202 N203	C192-D195 HydrophobicContact CB-CB 4.33Å; C192-D195 CarbonylContact O-C 3.4Å; C192-D195 PolarHBondContact O-N 2.93Å; D195-C201 CarbonylContact O-C 3.52Å; D195-C201 VanDerWaalsContact O-CA 3.28Å; D195-C201 WeakPolarHBondContact O-CA 3.46Å; D195-T202 PolarHBondContact O-N 3.36Å; D195-T202 PolarHBondContact O-OG1 3.36Å; D195-N203 HydrophobicContact CB-CB 3.69Å
196	C	98.4	Very high	97.6	Very high	62 Å²	62	56.2 Å²	56.2	42%	0.419	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	121.4	-175.7	-173.2	0	0	0	0	112.9	C189	C189-C196 HydrophobicContact CB-CB 3.47Å; C189-C196 VanDerWaalsContact CB-CB 3.47Å; C189-C196 WeakPolarHBondContact CB-SG 3.24Å; C189-C196 WeakPolarHBondContact SG-CB 2.97Å; C189-C196 CovalentContact SG-SG 2.03Å; C189-C196 PolarHBondContact SG-SG 3.2Å
197	D	98.5	Very high	97.3	Very high	48 Å²	48	58.9 Å²	58.9	26%	0.257	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	97.4	165.9	177.3	16.2	0	0	0	110.5	K60 G199 L200 T202	K60-D197 HydrophobicContact CD-CB 4.41Å; K60-D197 WeakPolarHBondContact CE-OD2 3.28Å; K60-D197 IonicContact NZ-OD2 2.66Å; K60-D197 PolarHBondContact NZ-OD2 3.02Å; D197-G199 VanDerWaalsContact C-N 3.3Å; D197-G199 PolarHBondContact O-N 2.77Å; D197-L200 PolarHBondContact N-O 3.41Å; D197-L200 PolarHBondContact O-N 2.86Å; D197-L200 VanDerWaalsContact O-N 3.11Å; D197-T202 HydrophobicContact CB-CG2 3.91Å
198	K	97.7	Very high	96.8	Very high	173 Å²	173	56.1 Å²	56.1	75%	0.752	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	48.1	172.6	-62.9	173.8	-177.4	-179.5	0	112.5	K49	K49-K198 WeakPolarHBondContact CD-O 3.49Å; K49-K198 WeakPolarHBondContact CE-O 3.29Å; K49-K198 PolarHBondContact NZ-O 2.87Å
199	G	98	Very high	96.5	Very high	20 Å²	20	54.9 Å²	54.9	21%	0.206	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	91	1.5	177.4	0	0	0	0	0	115.7	C189 D197	C189-G199 VanDerWaalsContact SG-CA 3.54Å; D197-G199 VanDerWaalsContact C-N 3.3Å; D197-G199 PolarHBondContact O-N 2.77Å
200	L	98.8	Very high	96	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.01	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	138.7	174.2	-59.9	176.3	0	0	0	111.1	N45 R48 K49 M58 K60 D197	N45-L200 HydrophobicContact CB-CD1 3.84Å; N45-L200 WeakPolarHBondContact OD1-CD1 3.4Å; R48-L200 HydrophobicContact CB-CD2 3.96Å; K49-L200 HydrophobicContact CD-CD1 4.24Å; K49-L200 HydrophobicContact CD-CG 4.29Å; K49-L200 HydrophobicContact CG-CD1 3.89Å; K49-L200 HydrophobicContact CG-CD2 3.86Å; K49-L200 HydrophobicContact CG-CG 3.64Å; M58-L200 HydrophobicContact CB-CD2 3.94Å; M58-L200 HydrophobicContact CG-CD2 3.52Å; M58-L200 CarbonylContact O-C 3.57Å; M58-L200 WeakPolarHBondContact O-CA 3.45Å; K60-L200 HydrophobicContact CB-CB 3.86Å; K60-L200 HydrophobicContact CB-CD1 4.2Å; K60-L200 HydrophobicContact CG-CD1 4.18Å; D197-L200 PolarHBondContact N-O 3.41Å; D197-L200 PolarHBondContact O-N 2.86Å; D197-L200 VanDerWaalsContact O-N 3.11Å
201	C	98.8	Very high	95.6	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.007	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	144.1	176	-61.4	0	0	0	0	111.9	M58 L59 K60 C192 D195 I242	M58-C201 PolarHBondContact O-N 2.81Å; L59-C201 CarbonylContact C-O 3.41Å; L59-C201 WeakPolarHBondContact CA-O 3.37Å; L59-C201 HydrophobicContact CD2-CB 3.85Å; L59-C201 WeakPolarHBondContact CD2-O 3.48Å; K60-C201 PolarHBondContact N-O 3.17Å; C192-C201 HydrophobicContact CB-CB 3.63Å; C192-C201 WeakPolarHBondContact CB-SG 3.26Å; C192-C201 WeakPolarHBondContact SG-CA 3.15Å; C192-C201 WeakPolarHBondContact SG-CB 3.2Å; C192-C201 CovalentContact SG-SG 2.02Å; C192-C201 PolarHBondContact SG-SG 3.44Å; D195-C201 CarbonylContact O-C 3.52Å; D195-C201 VanDerWaalsContact O-CA 3.28Å; D195-C201 WeakPolarHBondContact O-CA 3.46Å; C201-I242 HydrophobicContact CB-CG1 4.18Å
202	T	98.5	Very high	95.2	Very high	70 Å²	70	61.9 Å²	61.9	43%	0.429	34%	0.338	S	S	.	.			trans	-118.6	4.7	179.7	57.3	0	0	0	0	114.1	K60 D195 D197 S204	K60-T202 HydrophobicContact CB-CG2 4.26Å; K60-T202 HydrophobicContact CD-CG2 4.19Å; D195-T202 PolarHBondContact O-N 3.36Å; D195-T202 PolarHBondContact O-OG1 3.36Å; D197-T202 HydrophobicContact CB-CG2 3.91Å; T202-S204 PolarHBondContact O-N 3.14Å
203	N	97.8	Very high	94.9	Very high	13 Å²	13	65.4 Å²	65.4	7%	0.07	36%	0.357	C	S	.	.			trans	-97.8	60	-179.9	56.7	-24.6	0	0	0	112.7	C192 D195 N240 K241 I242	C192-N203 WeakPolarHBondContact CB-OD1 3.32Å; D195-N203 HydrophobicContact CB-CB 3.69Å; N203-N240 PolarHBondContact ND2-O 2.55Å; N203-K241 CarbonylContact O-C 3.49Å; N203-K241 VanDerWaalsContact O-CA 3.27Å; N203-K241 WeakPolarHBondContact O-CA 3.47Å; N203-K241 VanDerWaalsContact O-CB 3.3Å; N203-K241 WeakPolarHBondContact O-CB 3.37Å; N203-I242 PolarHBondContact O-N 3.24Å
204	S	97.1	Very high	94.7	Very high	32 Å²	32	60.8 Å²	60.8	22%	0.224	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-70.2	149.3	178.2	63.6	0	0	0	0	113.1	Y146 T202 K241	Y146-S204 WeakPolarHBondContact CE2-OG 3.32Å; T202-S204 PolarHBondContact O-N 3.14Å; S204-K241 WeakPolarHBondContact O-CD 3.46Å
205	C	94.7	Very high	94.5	Very high	5 Å²	5	57.8 Å²	57.8	3%	0.034	31%	0.311	C	S	.	.			trans	-93.5	131.1	168.8	-179.7	0	0	0	0	111	Y207 C238 K241 I242 Y243	C205-Y207 VanDerWaalsContact C-N 3.29Å; C205-Y207 PolarHBondContact SG-N 2.88Å; C205-Y207 PolarHBondContact SG-O 3.33Å; C205-C238 HydrophobicContact CB-CB 3.6Å; C205-C238 WeakPolarHBondContact CB-SG 3.1Å; C205-C238 WeakPolarHBondContact SG-CB 3.33Å; C205-C238 CovalentContact SG-SG 2.01Å; C205-C238 PolarHBondContact SG-SG 3.41Å; C205-K241 HydrophobicContact CB-CB 4.23Å; C205-I242 PolarHBondContact N-O 2.98Å; C205-I242 VanDerWaalsContact N-O 3.1Å; C205-Y243 HydrophobicContact CB-CD1 4.11Å; C205-Y243 HydrophobicContact CB-CG 4.32Å
206	Q	91.3	Very high	94.3	Very high	128 Å²	128	58 Å²	58	60%	0.598	32%	0.318	S	S	*	.	S	Bend	trans	-78.7	-12.7	174.8	67.5	-177.3	-7.9	0	0	113.7
207	Y	91.3	Very high	94.2	Very high	84 Å²	84	56.7 Å²	56.7	33%	0.329	31%	0.306	S	S	.	.			trans	-97.2	163.8	177.4	-58.1	-63.4	0	0	0	110.6	C205 K233 L237	C205-Y207 VanDerWaalsContact C-N 3.29Å; C205-Y207 PolarHBondContact SG-N 2.88Å; C205-Y207 PolarHBondContact SG-O 3.33Å; Y207-K233 HydrophobicContact CD1-CB 4.24Å; Y207-K233 HydrophobicContact CD1-CD 4.22Å; Y207-K233 HydrophobicContact CG-CB 4.04Å; Y207-L237 HydrophobicContact CD2-CB 3.8Å; Y207-L237 HydrophobicContact CD2-CD1 3.99Å; Y207-L237 HydrophobicContact CE1-CD1 4.49Å; Y207-L237 HydrophobicContact CE2-CB 3.86Å; Y207-L237 HydrophobicContact CE2-CD1 3.72Å; Y207-L237 HydrophobicContact CE2-CG 4.46Å; Y207-L237 HydrophobicContact CG-CD1 4.5Å
208	Q	88.9	Confident	94	Very high	47 Å²	47	57.6 Å²	57.6	22%	0.22	31%	0.308	C	S	.	.			trans	-131.4	153.8	172.6	-70.9	-176	8.7	0	0	110.6	T92 P171	T92-Q208 PolarHBondContact OG1-NE2 2.68Å; T92-Q208 PolarHBondContact OG1-OE1 2.94Å; P171-Q208 HydrophobicContact CG-CG 4.4Å; P171-Q208 VanDerWaalsContact CG-NE2 3.29Å
209	D	90.8	Very high	93.9	Very high	40 Å²	40	56 Å²	56	21%	0.214	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-89.1	128.6	164.9	-68.7	-17.9	0	0	0	109.5	C214 K231 C232 K233 A234 T235 Y243	D209-C214 HydrophobicContact CB-CB 4.13Å; D209-C214 WeakPolarHBondContact OD2-CB 3.08Å; D209-K231 CarbonylContact C-O 3.42Å; D209-K231 WeakPolarHBondContact CA-O 3.34Å; D209-C232 WeakPolarHBondContact OD1-CA 3.37Å; D209-K233 PolarHBondContact OD1-N 3.24Å; D209-A234 WeakPolarHBondContact OD1-CA 3.48Å; D209-A234 WeakPolarHBondContact OD1-CB 3.22Å; D209-A234 PolarHBondContact OD1-N 2.86Å; D209-T235 PolarHBondContact OD1-N 3.39Å; D209-T235 WeakPolarHBondContact OD2-CB 3.36Å; D209-T235 PolarHBondContact OD2-N 3.03Å; D209-T235 PolarHBondContact OD2-OG1 2.92Å; D209-Y243 VanDerWaalsContact OD2-CE2 3.28Å; D209-Y243 WeakPolarHBondContact OD2-CE2 3.29Å
210	L	89.3	Confident	93.8	Very high	99 Å²	99	60.7 Å²	60.7	52%	0.518	33%	0.333	S	S	.	.	S	Bend	trans	-89.8	-11	176.4	-56.6	-177.4	0	0	0	111.7	K231	L210-K231 HydrophobicContact CB-CB 4.25Å; L210-K231 HydrophobicContact CB-CD 4.27Å; L210-K231 HydrophobicContact CD1-CD 3.84Å; L210-K231 PolarHBondContact N-O 3.5Å
211	L	90.2	Very high	93.7	Very high	57 Å²	57	62.8 Å²	62.8	30%	0.298	35%	0.35	S	S	.	.	S	Bend	trans	-118	136.3	176	-56.5	173.4	0	0	0	110.1	N213 C214 L217 L227 K231	L211-N213 PolarHBondContact O-N 3.32Å; L211-C214 PolarHBondContact O-SG 3.33Å; L211-L217 HydrophobicContact CD1-CD1 3.76Å; L211-L227 HydrophobicContact CD1-CD1 4.28Å; L211-L227 HydrophobicContact CD1-CD2 4.24Å; L211-L227 HydrophobicContact CD1-CG 4.2Å; L211-K231 HydrophobicContact CD1-CB 3.76Å; L211-K231 HydrophobicContact CD1-CG 4.25Å; L211-K231 HydrophobicContact CG-CB 3.83Å; L211-K231 HydrophobicContact CG-CG 4.44Å
212	S	88.4	Confident	93.5	Very high	101 Å²	101	64 Å²	64	71%	0.706	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-13.8	-178.6	62.5	0	0	0	0	114.7
213	N	90.6	Very high	93.4	Very high	77 Å²	77	62.1 Å²	62.1	41%	0.412	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	22.4	-177.9	67	-35.2	0	0	0	113.1	L211 D215 S216 L217	L211-N213 PolarHBondContact O-N 3.32Å; N213-D215 VanDerWaalsContact C-N 3.28Å; N213-D215 PolarHBondContact O-N 3.12Å; N213-S216 WeakPolarHBondContact O-CB 3.47Å; N213-S216 PolarHBondContact O-N 2.87Å; N213-L217 WeakPolarHBondContact O-CG 3.3Å; N213-L217 PolarHBondContact O-N 3.22Å
214	C	94.2	Very high	93.4	Very high	2 Å²	2	68.6 Å²	68.6	1%	0.014	38%	0.382	C	S	.	.	H	α-helix	trans	-55.5	-38.4	-178.3	-78.2	0	0	0	0	113.7	D209 L211 S216 L217 K218 C232 T235	D209-C214 HydrophobicContact CB-CB 4.13Å; D209-C214 WeakPolarHBondContact OD2-CB 3.08Å; L211-C214 PolarHBondContact O-SG 3.33Å; C214-S216 PolarHBondContact O-N 3.17Å; C214-L217 PolarHBondContact O-N 3.22Å; C214-K218 WeakPolarHBondContact O-CB 3.29Å; C214-K218 PolarHBondContact O-N 2.88Å; C214-C232 WeakPolarHBondContact CA-SG 3.37Å; C214-C232 HydrophobicContact CB-CB 3.56Å; C214-C232 WeakPolarHBondContact CB-SG 3.4Å; C214-C232 WeakPolarHBondContact SG-CA 3.3Å; C214-C232 WeakPolarHBondContact SG-CB 3.33Å; C214-C232 CovalentContact SG-SG 2.03Å; C214-C232 PolarHBondContact SG-SG 3.21Å; C214-T235 HydrophobicContact CB-CG2 4.21Å; C214-T235 VanDerWaalsContact CB-OG1 3.23Å; C214-T235 WeakPolarHBondContact CB-OG1 3.32Å
215	D	92.8	Very high	93.3	Very high	89 Å²	89	71.5 Å²	71.5	48%	0.476	39%	0.392	S	S	.	.	H	α-helix	trans	-57.9	-46.3	173.9	-69.3	-44.2	0	0	0	112.5	N213 K218 N219	N213-D215 VanDerWaalsContact C-N 3.28Å; N213-D215 PolarHBondContact O-N 3.12Å; D215-K218 PolarHBondContact O-N 3.27Å; D215-N219 PolarHBondContact O-N 3.48Å; D215-N219 PolarHBondContact O-ND2 3.39Å
216	S	94.3	Very high	93.3	Very high	68 Å²	68	79 Å²	79	48%	0.476	43%	0.427	S	S	.	.	H	α-helix	trans	-66.3	-39.7	178.3	173.9	0	0	0	0	111.6	N213 C214 N219 T220	N213-S216 WeakPolarHBondContact O-CB 3.47Å; N213-S216 PolarHBondContact O-N 2.87Å; C214-S216 PolarHBondContact O-N 3.17Å; S216-N219 PolarHBondContact O-N 3.38Å; S216-T220 PolarHBondContact O-N 2.99Å; S216-T220 VanDerWaalsContact O-N 3.17Å; S216-T220 PolarHBondContact O-OG1 2.79Å
217	L	95.4	Very high	93.5	Very high	35 Å²	35	76.3 Å²	76.3	18%	0.183	42%	0.416	C	S	.	.	H	α-helix	trans	-64.7	-40.6	175.8	-70.3	174.8	0	0	0	111.5	L211 N213 C214 N219 T220 A221 L227 L228	L211-L217 HydrophobicContact CD1-CD1 3.76Å; N213-L217 WeakPolarHBondContact O-CG 3.3Å; N213-L217 PolarHBondContact O-N 3.22Å; C214-L217 PolarHBondContact O-N 3.22Å; L217-N219 VanDerWaalsContact C-N 3.31Å; L217-N219 PolarHBondContact O-N 2.78Å; L217-T220 PolarHBondContact O-N 2.76Å; L217-T220 VanDerWaalsContact O-N 3.14Å; L217-A221 PolarHBondContact O-N 3.16Å; L217-L227 HydrophobicContact CD1-CD2 4.34Å; L217-L228 HydrophobicContact CB-CD1 4.09Å; L217-L228 HydrophobicContact CB-CD2 4.04Å; L217-L228 HydrophobicContact CB-CG 4.15Å
218	K	95.9	Very high	93.6	Very high	66 Å²	66	72.3 Å²	72.3	29%	0.287	40%	0.4	S	S	.	.	H	α-helix	trans	-60.4	-43.3	177.6	175.6	175.5	178.5	175.1	0	110.8	C214 D215 T220 G222 L228 T235	C214-K218 WeakPolarHBondContact O-CB 3.29Å; C214-K218 PolarHBondContact O-N 2.88Å; D215-K218 PolarHBondContact O-N 3.27Å; K218-T220 VanDerWaalsContact C-N 3.28Å; K218-T220 PolarHBondContact O-N 2.83Å; K218-G222 VanDerWaalsContact O-CA 3.25Å; K218-G222 WeakPolarHBondContact O-CA 3.25Å; K218-G222 PolarHBondContact O-N 3.01Å; K218-L228 VanDerWaalsContact CA-CD2 3.47Å; K218-L228 HydrophobicContact CB-CD2 4.02Å; K218-T235 HydrophobicContact CB-CG2 3.67Å; K218-T235 HydrophobicContact CD-CG2 3.48Å; K218-T235 VanDerWaalsContact CD-CG2 3.48Å; K218-T235 HydrophobicContact CG-CG2 4.16Å; K218-T235 PolarHBondContact NZ-O 2.85Å
219	N	95.3	Very high	93.8	Very high	141 Å²	141	75.2 Å²	75.2	75%	0.754	41%	0.412	S	S	*	.	H	α-helix	trans	-66.6	-28.7	177.7	-67.6	-22.7	0	0	0	113.2	D215 S216 L217	D215-N219 PolarHBondContact O-N 3.48Å; D215-N219 PolarHBondContact O-ND2 3.39Å; S216-N219 PolarHBondContact O-N 3.38Å; L217-N219 VanDerWaalsContact C-N 3.31Å; L217-N219 PolarHBondContact O-N 2.78Å
220	T	96.1	Very high	93.9	Very high	118 Å²	118	78.5 Å²	78.5	72%	0.724	43%	0.426	S	S	*	.	H	α-helix	trans	-91.1	-44.2	-175.3	-51.9	0	0	0	0	112.9	S216 L217 K218	S216-T220 PolarHBondContact O-N 2.99Å; S216-T220 VanDerWaalsContact O-N 3.17Å; S216-T220 PolarHBondContact O-OG1 2.79Å; L217-T220 PolarHBondContact O-N 2.76Å; L217-T220 VanDerWaalsContact O-N 3.14Å; K218-T220 VanDerWaalsContact C-N 3.28Å; K218-T220 PolarHBondContact O-N 2.83Å
221	A	95.9	Very high	94.2	Very high	46 Å²	46	76.6 Å²	76.6	38%	0.38	41%	0.414	S	S	.	.	H	α-helix	trans	-117	-15	-170.4	0	0	0	0	0	113.9	L217 H225 L228	L217-A221 PolarHBondContact O-N 3.16Å; A221-H225 HydrophobicContact CB-CB 3.92Å; A221-L228 HydrophobicContact CB-CD1 4.12Å
222	G	95.7	Very high	94.4	Very high	27 Å²	27	73.9 Å²	73.9	28%	0.278	40%	0.399	S	S	.	.			trans	72	163.1	-174.1	0	0	0	0	0	113.6	K218 E224 H225	K218-G222 VanDerWaalsContact O-CA 3.25Å; K218-G222 WeakPolarHBondContact O-CA 3.25Å; K218-G222 PolarHBondContact O-N 3.01Å; G222-E224 PolarHBondContact O-N 3.34Å; G222-H225 WeakPolarHBondContact O-CB 3.49Å; G222-H225 PolarHBondContact O-N 2.94Å
223	C	96.2	Very high	94.7	Very high	30 Å²	30	73.3 Å²	73.3	20%	0.203	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-9.2	-177.6	-73.5	0	0	0	0	114.6	H225 K229 C236	C223-H225 VanDerWaalsContact C-N 3.3Å; C223-K229 VanDerWaalsContact O-CG 3.27Å; C223-K229 WeakPolarHBondContact O-CG 3.39Å; C223-C236 WeakPolarHBondContact CA-SG 2.97Å; C223-C236 HydrophobicContact CB-CB 3.61Å; C223-C236 WeakPolarHBondContact CB-SG 3.28Å; C223-C236 WeakPolarHBondContact SG-CA 3.16Å; C223-C236 WeakPolarHBondContact SG-CB 3.49Å; C223-C236 CovalentContact SG-SG 2.03Å; C223-C236 PolarHBondContact SG-SG 3.04Å
224	E	96.2	Very high	94.9	Very high	149 Å²	149	69.7 Å²	69.7	70%	0.696	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-17.9	175.6	-69.1	-53.3	128.4	0	0	113.3	G222 K229	G222-E224 PolarHBondContact O-N 3.34Å; E224-K229 VanDerWaalsContact O-CE 3.22Å; E224-K229 WeakPolarHBondContact O-CE 3.25Å; E224-K229 PolarHBondContact O-NZ 3.24Å; E224-K229 VanDerWaalsContact OE2-CE 3.24Å; E224-K229 WeakPolarHBondContact OE2-CE 3.15Å; E224-K229 IonicContact OE2-NZ 3.74Å; E224-K229 PolarHBondContact OE2-NZ 3.1Å
225	H	95.9	Very high	94.9	Very high	93 Å²	93	69.7 Å²	69.7	43%	0.431	37%	0.365	S	S	.	.	S	Bend	trans	-67.2	134.5	178.3	-173	-73.7	0	0	0	111.4	A221 G222 C223 L227 L228 K229	A221-H225 HydrophobicContact CB-CB 3.92Å; G222-H225 WeakPolarHBondContact O-CB 3.49Å; G222-H225 PolarHBondContact O-N 2.94Å; C223-H225 VanDerWaalsContact C-N 3.3Å; H225-L227 VanDerWaalsContact C-N 3.32Å; H225-L227 WeakPolarHBondContact ND1-CB 3.38Å; H225-L227 PolarHBondContact ND1-N 2.66Å; H225-L227 PolarHBondContact O-N 2.77Å; H225-L228 HydrophobicContact CB-CD1 3.79Å; H225-L228 PolarHBondContact O-N 2.99Å; H225-K229 PolarHBondContact O-N 3.45Å; H225-K229 VanDerWaalsContact O-N 3.12Å
226	E	95.2	Very high	95	Very high	163 Å²	163	66.5 Å²	66.5	76%	0.762	35%	0.349	S	S	*	.	H	α-helix	trans	-53.2	-45.5	-172	-172.1	176.6	-174.6	0	0	113.1	L228 K229 E230	E226-L228 VanDerWaalsContact C-N 3.29Å; E226-L228 PolarHBondContact O-N 2.57Å; E226-K229 PolarHBondContact O-N 2.8Å; E226-E230 PolarHBondContact O-N 2.78Å; E226-E230 VanDerWaalsContact O-N 3.15Å
227	L	94.2	Very high	95.1	Very high	70 Å²	70	68.3 Å²	68.3	37%	0.366	35%	0.353	S	S	.	.	H	α-helix	trans	-55.6	-41.2	176.1	-175.9	66.4	0	0	0	112.9	L211 L217 H225 K231	L211-L227 HydrophobicContact CD1-CD1 4.28Å; L211-L227 HydrophobicContact CD1-CD2 4.24Å; L211-L227 HydrophobicContact CD1-CG 4.2Å; L217-L227 HydrophobicContact CD1-CD2 4.34Å; H225-L227 VanDerWaalsContact C-N 3.32Å; H225-L227 WeakPolarHBondContact ND1-CB 3.38Å; H225-L227 PolarHBondContact ND1-N 2.66Å; H225-L227 PolarHBondContact O-N 2.77Å; L227-K231 HydrophobicContact CD1-CG 3.81Å; L227-K231 VanDerWaalsContact O-CB 3.29Å; L227-K231 WeakPolarHBondContact O-CB 3.33Å; L227-K231 WeakPolarHBondContact O-CG 3.26Å; L227-K231 PolarHBondContact O-N 3.25Å
228	L	94.7	Very high	95	Very high	1 Å²	1	66.9 Å²	66.9	1%	0.005	35%	0.346	C	S	.	.	H	α-helix	trans	-76.2	-37.9	-177.5	-76.3	88	0	0	0	111.5	L217 K218 A221 H225 E226 E230 K231 C232	L217-L228 HydrophobicContact CB-CD1 4.09Å; L217-L228 HydrophobicContact CB-CD2 4.04Å; L217-L228 HydrophobicContact CB-CG 4.15Å; K218-L228 VanDerWaalsContact CA-CD2 3.47Å; K218-L228 HydrophobicContact CB-CD2 4.02Å; A221-L228 HydrophobicContact CB-CD1 4.12Å; H225-L228 HydrophobicContact CB-CD1 3.79Å; H225-L228 PolarHBondContact O-N 2.99Å; E226-L228 VanDerWaalsContact C-N 3.29Å; E226-L228 PolarHBondContact O-N 2.57Å; L228-E230 PolarHBondContact O-N 3.28Å; L228-K231 PolarHBondContact O-N 2.84Å; L228-C232 HydrophobicContact CB-CB 4.04Å; L228-C232 HydrophobicContact CD2-CB 4.42Å; L228-C232 HydrophobicContact CG-CB 4.11Å; L228-C232 CarbonylContact O-C 3.52Å; L228-C232 VanDerWaalsContact O-CA 3.32Å; L228-C232 WeakPolarHBondContact O-CA 3.27Å; L228-C232 WeakPolarHBondContact O-CB 3.49Å; L228-C232 PolarHBondContact O-N 2.89Å
229	K	93.5	Very high	94.7	Very high	107 Å²	107	70.3 Å²	70.3	47%	0.465	36%	0.363	S	S	.	.	H	α-helix	trans	-56.3	-38.2	173.3	-70.4	-175	173.1	164.6	0	111.9	C223 E224 H225 E226 K233	C223-K229 VanDerWaalsContact O-CG 3.27Å; C223-K229 WeakPolarHBondContact O-CG 3.39Å; E224-K229 VanDerWaalsContact O-CE 3.22Å; E224-K229 WeakPolarHBondContact O-CE 3.25Å; E224-K229 PolarHBondContact O-NZ 3.24Å; E224-K229 VanDerWaalsContact OE2-CE 3.24Å; E224-K229 WeakPolarHBondContact OE2-CE 3.15Å; E224-K229 IonicContact OE2-NZ 3.74Å; E224-K229 PolarHBondContact OE2-NZ 3.1Å; H225-K229 PolarHBondContact O-N 3.45Å; H225-K229 VanDerWaalsContact O-N 3.12Å; E226-K229 PolarHBondContact O-N 2.8Å; K229-K233 VanDerWaalsContact O-CE 3.31Å; K229-K233 WeakPolarHBondContact O-CE 3.39Å; K229-K233 WeakPolarHBondContact O-CG 3.31Å
230	E	92.9	Very high	94.4	Very high	109 Å²	109	70.7 Å²	70.7	51%	0.509	37%	0.365	S	S	.	.	H	α-helix	trans	-83.8	-46.8	-179.4	-160.1	-159.6	156	0	0	112.6	E226 L228	E226-E230 PolarHBondContact O-N 2.78Å; E226-E230 VanDerWaalsContact O-N 3.15Å; L228-E230 PolarHBondContact O-N 3.28Å
231	K	94.3	Very high	94.5	Very high	60 Å²	60	69.5 Å²	69.5	26%	0.261	35%	0.35	S	S	.	.	H	α-helix	trans	-107.1	-11.8	-165.8	-52	-59.6	-175.4	-167.3	0	115.1	D209 L210 L211 L227 L228	D209-K231 CarbonylContact C-O 3.42Å; D209-K231 WeakPolarHBondContact CA-O 3.34Å; L210-K231 HydrophobicContact CB-CB 4.25Å; L210-K231 HydrophobicContact CB-CD 4.27Å; L210-K231 HydrophobicContact CD1-CD 3.84Å; L210-K231 PolarHBondContact N-O 3.5Å; L211-K231 HydrophobicContact CD1-CB 3.76Å; L211-K231 HydrophobicContact CD1-CG 4.25Å; L211-K231 HydrophobicContact CG-CB 3.83Å; L211-K231 HydrophobicContact CG-CG 4.44Å; L227-K231 HydrophobicContact CD1-CG 3.81Å; L227-K231 VanDerWaalsContact O-CB 3.29Å; L227-K231 WeakPolarHBondContact O-CB 3.33Å; L227-K231 WeakPolarHBondContact O-CG 3.26Å; L227-K231 PolarHBondContact O-N 3.25Å; L228-K231 PolarHBondContact O-N 2.84Å
232	C	95.1	Very high	94.5	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-126.5	41.2	-174	-63.1	0	0	0	0	112.3	D209 C214 L228 A234 T235 C236	D209-C232 WeakPolarHBondContact OD1-CA 3.37Å; C214-C232 WeakPolarHBondContact CA-SG 3.37Å; C214-C232 HydrophobicContact CB-CB 3.56Å; C214-C232 WeakPolarHBondContact CB-SG 3.4Å; C214-C232 WeakPolarHBondContact SG-CA 3.3Å; C214-C232 WeakPolarHBondContact SG-CB 3.33Å; C214-C232 CovalentContact SG-SG 2.03Å; C214-C232 PolarHBondContact SG-SG 3.21Å; L228-C232 HydrophobicContact CB-CB 4.04Å; L228-C232 HydrophobicContact CD2-CB 4.42Å; L228-C232 HydrophobicContact CG-CB 4.11Å; L228-C232 CarbonylContact O-C 3.52Å; L228-C232 VanDerWaalsContact O-CA 3.32Å; L228-C232 WeakPolarHBondContact O-CA 3.27Å; L228-C232 WeakPolarHBondContact O-CB 3.49Å; L228-C232 PolarHBondContact O-N 2.89Å; C232-A234 VanDerWaalsContact C-N 3.32Å; C232-A234 PolarHBondContact O-N 3.34Å; C232-T235 PolarHBondContact O-N 2.92Å; C232-C236 WeakPolarHBondContact O-CB 3.06Å; C232-C236 PolarHBondContact O-N 2.02Å; C232-C236 PolarHBondContact O-SG 2.82Å
233	K	94.3	Very high	94.3	Very high	89 Å²	89	70.6 Å²	70.6	39%	0.387	34%	0.337	S	S	.	.	H	α-helix	trans	-64.1	-35.6	-173.1	-69.3	-175.7	-177.7	-178.1	0	112.6	Y207 D209 K229 C236 L237	Y207-K233 HydrophobicContact CD1-CB 4.24Å; Y207-K233 HydrophobicContact CD1-CD 4.22Å; Y207-K233 HydrophobicContact CG-CB 4.04Å; D209-K233 PolarHBondContact OD1-N 3.24Å; K229-K233 VanDerWaalsContact O-CE 3.31Å; K229-K233 WeakPolarHBondContact O-CE 3.39Å; K229-K233 WeakPolarHBondContact O-CG 3.31Å; K233-C236 PolarHBondContact O-N 3.16Å; K233-L237 HydrophobicContact CB-CD1 4.38Å; K233-L237 WeakPolarHBondContact O-CB 3.12Å; K233-L237 WeakPolarHBondContact O-CG 3.43Å; K233-L237 PolarHBondContact O-N 3.11Å
234	A	94.3	Very high	94.2	Very high	0 Å²	0	72.6 Å²	72.6	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-70.5	-49.3	179.3	0	0	0	0	0	110.2	D209 C232 C236 L237 C238 Y243	D209-A234 WeakPolarHBondContact OD1-CA 3.48Å; D209-A234 WeakPolarHBondContact OD1-CB 3.22Å; D209-A234 PolarHBondContact OD1-N 2.86Å; C232-A234 VanDerWaalsContact C-N 3.32Å; C232-A234 PolarHBondContact O-N 3.34Å; A234-C236 PolarHBondContact O-N 3.14Å; A234-C236 VanDerWaalsContact O-N 3.1Å; A234-L237 PolarHBondContact O-N 3.23Å; A234-C238 VanDerWaalsContact O-CB 3.24Å; A234-C238 WeakPolarHBondContact O-CB 3.03Å; A234-C238 PolarHBondContact O-N 2.03Å; A234-Y243 HydrophobicContact CB-CD1 4Å; A234-Y243 HydrophobicContact CB-CD2 3.27Å; A234-Y243 HydrophobicContact CB-CE1 4.37Å; A234-Y243 HydrophobicContact CB-CE2 3.7Å; A234-Y243 HydrophobicContact CB-CG 3.46Å; A234-Y243 VanDerWaalsContact CB-CG 3.46Å
235	T	94.7	Very high	94.1	Very high	2 Å²	2	68.6 Å²	68.6	1%	0.012	33%	0.325	C	S	.	.	H	α-helix	trans	-50.9	-36.3	172.4	-75.9	0	0	0	0	113.6	D209 C214 K218 C232 Y243	D209-T235 PolarHBondContact OD1-N 3.39Å; D209-T235 WeakPolarHBondContact OD2-CB 3.36Å; D209-T235 PolarHBondContact OD2-N 3.03Å; D209-T235 PolarHBondContact OD2-OG1 2.92Å; C214-T235 HydrophobicContact CB-CG2 4.21Å; C214-T235 VanDerWaalsContact CB-OG1 3.23Å; C214-T235 WeakPolarHBondContact CB-OG1 3.32Å; K218-T235 HydrophobicContact CB-CG2 3.67Å; K218-T235 HydrophobicContact CD-CG2 3.48Å; K218-T235 VanDerWaalsContact CD-CG2 3.48Å; K218-T235 HydrophobicContact CG-CG2 4.16Å; K218-T235 PolarHBondContact NZ-O 2.85Å; C232-T235 PolarHBondContact O-N 2.92Å; T235-Y243 VanDerWaalsContact CA-OH 3.28Å; T235-Y243 WeakPolarHBondContact CA-OH 3.29Å
236	C	95.7	Very high	94	Very high	22 Å²	22	67.2 Å²	67.2	15%	0.149	32%	0.32	C	S	.	.	H	α-helix	trans	-94.2	-26.5	-175.1	-71.8	0	0	0	0	115.8	C223 C232 K233 A234	C223-C236 WeakPolarHBondContact CA-SG 2.97Å; C223-C236 HydrophobicContact CB-CB 3.61Å; C223-C236 WeakPolarHBondContact CB-SG 3.28Å; C223-C236 WeakPolarHBondContact SG-CA 3.16Å; C223-C236 WeakPolarHBondContact SG-CB 3.49Å; C223-C236 CovalentContact SG-SG 2.03Å; C223-C236 PolarHBondContact SG-SG 3.04Å; C232-C236 WeakPolarHBondContact O-CB 3.06Å; C232-C236 PolarHBondContact O-N 2.02Å; C232-C236 PolarHBondContact O-SG 2.82Å; K233-C236 PolarHBondContact O-N 3.16Å; A234-C236 PolarHBondContact O-N 3.14Å; A234-C236 VanDerWaalsContact O-N 3.1Å
237	L	95.2	Very high	93.9	Very high	106 Å²	106	61.6 Å²	61.6	56%	0.555	29%	0.294	S	S	*	.	H	α-helix	trans	-120	-5.3	-170.8	-55.1	176.8	0	0	0	113.9	Y207 K233 A234	Y207-L237 HydrophobicContact CD2-CB 3.8Å; Y207-L237 HydrophobicContact CD2-CD1 3.99Å; Y207-L237 HydrophobicContact CE1-CD1 4.49Å; Y207-L237 HydrophobicContact CE2-CB 3.86Å; Y207-L237 HydrophobicContact CE2-CD1 3.72Å; Y207-L237 HydrophobicContact CE2-CG 4.46Å; Y207-L237 HydrophobicContact CG-CD1 4.5Å; K233-L237 HydrophobicContact CB-CD1 4.38Å; K233-L237 WeakPolarHBondContact O-CB 3.12Å; K233-L237 WeakPolarHBondContact O-CG 3.43Å; K233-L237 PolarHBondContact O-N 3.11Å; A234-L237 PolarHBondContact O-N 3.23Å
238	C	94.5	Very high	93.9	Very high	5 Å²	5	61.1 Å²	61.1	3%	0.034	29%	0.289	C	S	.	.			trans	-117.7	53.4	-175	-73.3	0	0	0	0	112.3	C205 A234 K241 Y243	C205-C238 HydrophobicContact CB-CB 3.6Å; C205-C238 WeakPolarHBondContact CB-SG 3.1Å; C205-C238 WeakPolarHBondContact SG-CB 3.33Å; C205-C238 CovalentContact SG-SG 2.01Å; C205-C238 PolarHBondContact SG-SG 3.41Å; A234-C238 VanDerWaalsContact O-CB 3.24Å; A234-C238 WeakPolarHBondContact O-CB 3.03Å; A234-C238 PolarHBondContact O-N 2.03Å; C238-K241 HydrophobicContact CB-CB 3.98Å; C238-K241 HydrophobicContact CB-CD 4.18Å; C238-K241 PolarHBondContact O-N 2.92Å; C238-Y243 HydrophobicContact CB-CD1 3.99Å; C238-Y243 HydrophobicContact CB-CE1 4.1Å
239	E	88.4	Confident	93.9	Very high	139 Å²	139	65.1 Å²	65.1	65%	0.65	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	137.6	168.5	-63	-171.7	168	0	0	110.5	K241	E239-K241 PolarHBondContact O-N 3.13Å
240	N	90.3	Very high	93.9	Very high	149 Å²	149	62.1 Å²	62.1	80%	0.797	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	26	-177.9	-52.2	-38.9	0	0	0	115.2	N203	N203-N240 PolarHBondContact ND2-O 2.55Å
241	K	96.4	Very high	94	Very high	93 Å²	93	58.5 Å²	58.5	40%	0.404	28%	0.28	S	S	.	.			trans	-123.9	157.6	176.3	-67.8	-178.2	171.5	-159.3	0	111.7	N203 S204 C205 C238 E239	N203-K241 CarbonylContact O-C 3.49Å; N203-K241 VanDerWaalsContact O-CA 3.27Å; N203-K241 WeakPolarHBondContact O-CA 3.47Å; N203-K241 VanDerWaalsContact O-CB 3.3Å; N203-K241 WeakPolarHBondContact O-CB 3.37Å; S204-K241 WeakPolarHBondContact O-CD 3.46Å; C205-K241 HydrophobicContact CB-CB 4.23Å; C238-K241 HydrophobicContact CB-CB 3.98Å; C238-K241 HydrophobicContact CB-CD 4.18Å; C238-K241 PolarHBondContact O-N 2.92Å; E239-K241 PolarHBondContact O-N 3.13Å
242	I	96.1	Very high	94	Very high	19 Å²	19	58.3 Å²	58.3	10%	0.097	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-92.2	130.1	176.8	-53.9	-56.3	0	0	0	110.5	N57 L59 Y143 C201 N203 C205	N57-I242 HydrophobicContact CB-CD1 4.09Å; N57-I242 HydrophobicContact CB-CG2 4.47Å; N57-I242 WeakPolarHBondContact O-CG2 3.23Å; L59-I242 HydrophobicContact CD1-CB 4.09Å; L59-I242 HydrophobicContact CD1-CG2 4.01Å; L59-I242 HydrophobicContact CD2-CB 3.91Å; L59-I242 HydrophobicContact CD2-CG1 4.23Å; L59-I242 HydrophobicContact CD2-CG2 4.4Å; L59-I242 HydrophobicContact CG-CB 3.94Å; L59-I242 HydrophobicContact CG-CG2 3.88Å; Y143-I242 HydrophobicContact CD2-CG2 3.47Å; Y143-I242 VanDerWaalsContact CD2-CG2 3.47Å; Y143-I242 HydrophobicContact CE2-CG2 3.69Å; C201-I242 HydrophobicContact CB-CG1 4.18Å; N203-I242 PolarHBondContact O-N 3.24Å; C205-I242 PolarHBondContact N-O 2.98Å; C205-I242 VanDerWaalsContact N-O 3.1Å
243	Y	92.5	Very high	93.8	Very high	76 Å²	76	63.6 Å²	63.6	30%	0.298	31%	0.308	S	S	.	.			trans	-150.5	0	173.7	55.5	-85.1	0	0	0	112.6	Y143 S144 C205 D209 A234 T235 C238	Y143-Y243 WeakPolarHBondContact CE2-O 3.47Å; Y143-Y243 PolarHBondContact OH-O 2.87Å; Y143-Y243 PolarHBondContact OH-OXT 3.5Å; Y143-Y243 VanDerWaalsContact OH-OXT 3.14Å; S144-Y243 WeakPolarHBondContact CB-OXT 2.95Å; S144-Y243 PolarHBondContact OG-OXT 3.33Å; S144-Y243 VanDerWaalsContact OG-OXT 3.07Å; C205-Y243 HydrophobicContact CB-CD1 4.11Å; C205-Y243 HydrophobicContact CB-CG 4.32Å; D209-Y243 VanDerWaalsContact OD2-CE2 3.28Å; D209-Y243 WeakPolarHBondContact OD2-CE2 3.29Å; A234-Y243 HydrophobicContact CB-CD1 4Å; A234-Y243 HydrophobicContact CB-CD2 3.27Å; A234-Y243 HydrophobicContact CB-CE1 4.37Å; A234-Y243 HydrophobicContact CB-CE2 3.7Å; A234-Y243 HydrophobicContact CB-CG 3.46Å; A234-Y243 VanDerWaalsContact CB-CG 3.46Å; T235-Y243 VanDerWaalsContact CA-OH 3.28Å; T235-Y243 WeakPolarHBondContact CA-OH 3.29Å; C238-Y243 HydrophobicContact CB-CD1 3.99Å; C238-Y243 HydrophobicContact CB-CE1 4.1Å

Retrieved 243 of 243 residues in 135.9 ms (Link to these results)

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