A0A087YQJ9_POEFO Loading...

Leucine-rich repeat-containing protein 3

AlphaFold DB , UniProt , Accession A0A087YQJ9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 246 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	P	35	Very low	41.8	Very low	183 Å²	183	140.4 Å²	140.4	100%	1.188	83%	0.829	S	S	*	*				0	106.2	0	29.6	-9.3	0	0	0	109.8
2	S	36.7	Very low	42.4	Very low	121 Å²	121	139.8 Å²	139.8	85%	0.846	82%	0.818	S	S	*	*			cis	-162.8	140.7	23.3	37.3	0	0	0	0	108.4
3	Q	35.6	Very low	42.9	Very low	196 Å²	196	140.5 Å²	140.5	92%	0.916	82%	0.815	S	S	*	*			trans	-61.2	160	172.8	-73.3	159.9	-0.9	0	0	113.4
4	G	38.1	Very low	43.4	Very low	72 Å²	72	139.9 Å²	139.9	74%	0.742	81%	0.806	S	S	*	*			trans	159.9	62.2	166.1	0	0	0	0	0	111.3
5	S	42.1	Very low	44	Very low	107 Å²	107	137.6 Å²	137.6	75%	0.748	79%	0.789	S	S	*	*				66.4	101.6	94.9	-69.4	0	0	0	0	113.9	F7	S5-F7 PolarHBondContact O-N 2.94Å
6	Y	47.9	Very low	44.1	Very low	221 Å²	221	135.6 Å²	135.6	87%	0.867	79%	0.785	S	S	*	*			trans	-29.4	122.7	145.8	-54.3	-91.4	0	0	0	110.8
7	F	38.8	Very low	44.2	Very low	183 Å²	183	138.5 Å²	138.5	80%	0.803	79%	0.786	S	S	*	*			trans	-165.5	121.9	155.4	-121.4	-137.5	0	0	0	109.8	S5	S5-F7 PolarHBondContact O-N 2.94Å
8	F	43.5	Very low	44.6	Very low	155 Å²	155	135.9 Å²	135.9	68%	0.68	77%	0.773	S	S	*	*			trans	72	73.8	162.8	-70.6	-81	0	0	0	119.9	G10	F8-G10 PolarHBondContact O-N 3.27Å
9	A	45.7	Very low	44.7	Very low	123 Å²	123	132.5 Å²	132.5	100%	1.017	76%	0.763	S	S	*	*	S	Bend	trans	-64.6	58	140.3	0	0	0	0	0	111.4
10	G	45.8	Very low	45.1	Very low	45 Å²	45	130.3 Å²	130.3	46%	0.464	76%	0.762	S	S	.	*			trans	-154	40.3	-166	0	0	0	0	0	113.9	F8 L12	F8-G10 PolarHBondContact O-N 3.27Å; G10-L12 PolarHBondContact O-N 3.13Å
11	T	50.7	Low	45.9	Very low	138 Å²	138	127.2 Å²	127.2	85%	0.847	74%	0.739	S	S	*	*			trans	-95.7	75.7	166.6	38.9	0	0	0	0	109.6	L13	T11-L13 PolarHBondContact O-N 3.48Å
12	L	49.3	Very low	47.8	Very low	134 Å²	134	120.8 Å²	120.8	70%	0.702	71%	0.707	S	S	*	*				49	65.5	129.6	-154.4	66.7	0	0	0	114.8	G10 L14	G10-L12 PolarHBondContact O-N 3.13Å; L12-L14 HydrophobicContact CD1-CD1 3.76Å; L12-L14 HydrophobicContact CD1-CG 3.79Å; L12-L14 HydrophobicContact CD2-CD1 3.47Å; L12-L14 VanDerWaalsContact CD2-CD1 3.47Å; L12-L14 HydrophobicContact CD2-CG 4.28Å; L12-L14 HydrophobicContact CG-CB 4.08Å; L12-L14 HydrophobicContact CG-CD1 3.52Å; L12-L14 HydrophobicContact CG-CG 3.76Å; L12-L14 PolarHBondContact O-N 3.14Å
13	L	48.4	Very low	50.2	Low	149 Å²	149	117.7 Å²	117.7	78%	0.78	68%	0.684	S	S	*	*			trans	-61.7	71.4	145.2	-147	95.6	0	0	0	107.3	T11 L15	T11-L13 PolarHBondContact O-N 3.48Å; L13-L15 HydrophobicContact CD2-CD1 3.33Å; L13-L15 HydrophobicContact CD2-CG 3.65Å; L13-L15 HydrophobicContact CG-CD1 4.18Å; L13-L15 HydrophobicContact CG-CG 3.94Å; L13-L15 PolarHBondContact O-N 3.46Å
14	L	50.8	Low	52.7	Low	132 Å²	132	109 Å²	109	69%	0.691	64%	0.644	S	S	*	*			trans	-69.5	60.3	158.2	-104.1	161.3	0	0	0	106.4	L12 C16	L12-L14 HydrophobicContact CD1-CD1 3.76Å; L12-L14 HydrophobicContact CD1-CG 3.79Å; L12-L14 HydrophobicContact CD2-CD1 3.47Å; L12-L14 VanDerWaalsContact CD2-CD1 3.47Å; L12-L14 HydrophobicContact CD2-CG 4.28Å; L12-L14 HydrophobicContact CG-CB 4.08Å; L12-L14 HydrophobicContact CG-CD1 3.52Å; L12-L14 HydrophobicContact CG-CG 3.76Å; L12-L14 PolarHBondContact O-N 3.14Å; L14-C16 VanDerWaalsContact C-N 3.27Å; L14-C16 PolarHBondContact O-N 3.2Å
15	L	51.1	Low	55	Low	105 Å²	105	116 Å²	116	55%	0.55	65%	0.654	S	S	.	*			trans	-54.9	111.1	148.6	-80.1	174.8	0	0	0	103.5	L13 F17	L13-L15 HydrophobicContact CD2-CD1 3.33Å; L13-L15 HydrophobicContact CD2-CG 3.65Å; L13-L15 HydrophobicContact CG-CD1 4.18Å; L13-L15 HydrophobicContact CG-CG 3.94Å; L13-L15 PolarHBondContact O-N 3.46Å; L15-F17 HydrophobicContact CB-CD2 4.47Å; L15-F17 HydrophobicContact CB-CE2 4.39Å; L15-F17 PolarHBondContact O-N 3.22Å
16	C	46.3	Very low	57.2	Low	106 Å²	106	114.6 Å²	114.6	72%	0.716	64%	0.638	S	S	*	*			trans	-45.5	90.3	154.5	-83.1	0	0	0	0	107.3	L14 V18	L14-C16 VanDerWaalsContact C-N 3.27Å; L14-C16 PolarHBondContact O-N 3.2Å; C16-V18 HydrophobicContact CB-CG2 4.1Å; C16-V18 PolarHBondContact O-N 3.33Å
17	F	45	Very low	59.4	Low	185 Å²	185	104.7 Å²	104.7	81%	0.811	60%	0.601	S	S	*	*			trans	-69.9	60.7	149.6	-73.1	-82.3	0	0	0	106	L15 A19	L15-F17 HydrophobicContact CB-CD2 4.47Å; L15-F17 HydrophobicContact CB-CE2 4.39Å; L15-F17 PolarHBondContact O-N 3.22Å; F17-A19 PolarHBondContact O-N 3.35Å
18	V	51.9	Low	62	Low	91 Å²	91	101.4 Å²	101.4	55%	0.552	59%	0.588	S	S	*	*			trans	-62.2	96.3	142.9	178.8	0	0	0	0	101.4	C16 A20	C16-V18 HydrophobicContact CB-CG2 4.1Å; C16-V18 PolarHBondContact O-N 3.33Å; V18-A20 PolarHBondContact O-N 3.23Å
19	A	46	Very low	64.3	Low	71 Å²	71	95.5 Å²	95.5	59%	0.587	57%	0.565	S	S	*	*			trans	-53	99.1	163.5	0	0	0	0	0	104.6	F17 K21	F17-A19 PolarHBondContact O-N 3.35Å; A19-K21 VanDerWaalsContact C-N 3.3Å; A19-K21 PolarHBondContact O-N 3.29Å
20	A	53.4	Low	66.5	Low	88 Å²	88	91.6 Å²	91.6	73%	0.727	53%	0.531	S	S	*	.			trans	-60.5	106.5	168	0	0	0	0	0	103	V18 G22	V18-A20 PolarHBondContact O-N 3.23Å; A20-G22 PolarHBondContact O-N 3.42Å
21	K	61	Low	68.6	Low	66 Å²	66	94.5 Å²	94.5	29%	0.287	54%	0.535	S	S	.	.			trans	-57.9	96.7	170.4	-75.5	-177.4	174.7	-175.9	0	104.7	A19 A49 L51 D75	A19-K21 VanDerWaalsContact C-N 3.3Å; A19-K21 PolarHBondContact O-N 3.29Å; K21-A49 PolarHBondContact NZ-O 3.38Å; K21-L51 WeakPolarHBondContact CB-O 3.38Å; K21-L51 WeakPolarHBondContact CD-O 3.12Å; K21-D75 IonicContact NZ-OD2 3.07Å; K21-D75 PolarHBondContact NZ-OD2 3.32Å
22	G	75.1	Confident	69.8	Low	49 Å²	49	99.1 Å²	99.1	51%	0.505	54%	0.537	S	S	.	.	P	Polyproline II helix	trans	-67.1	155.9	-177.8	0	0	0	0	0	109.4	A20	A20-G22 PolarHBondContact O-N 3.42Å
23	C	87.1	Confident	71.1	Confident	55 Å²	55	98.4 Å²	98.4	37%	0.372	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-47.6	130.2	178.1	-172	0	0	0	0	111.4	K25 C29	C23-K25 PolarHBondContact O-N 3.39Å; C23-C29 VanDerWaalsContact CA-SG 3.56Å; C23-C29 HydrophobicContact CB-CB 3.63Å; C23-C29 WeakPolarHBondContact CB-SG 3.31Å; C23-C29 WeakPolarHBondContact SG-CB 3.48Å; C23-C29 PolarHBondContact SG-N 3.44Å; C23-C29 VanDerWaalsContact SG-N 3.37Å; C23-C29 CovalentContact SG-SG 2.02Å; C23-C29 PolarHBondContact SG-SG 3.15Å
24	P	87.9	Confident	72.7	Confident	13 Å²	13	92.3 Å²	92.3	8%	0.084	52%	0.516	C	S	.	.	P	Polyproline II helix	trans	-56.2	132.6	173.8	-18.8	27.5	0	0	0	109.9	I26 C27 P48 N50 L51	P24-I26 HydrophobicContact CB-CG2 4.33Å; P24-I26 PolarHBondContact O-N 2.78Å; P24-C27 HydrophobicContact CB-CB 4.16Å; P24-C27 HydrophobicContact CG-CB 4.33Å; P24-C27 PolarHBondContact O-N 2.94Å; P24-P48 HydrophobicContact CB-CB 4.49Å; P24-P48 HydrophobicContact CG-CB 4.3Å; P24-P48 HydrophobicContact CG-CG 4.48Å; P24-N50 WeakPolarHBondContact CD-O 3.38Å; P24-N50 WeakPolarHBondContact CG-O 3.48Å; P24-L51 HydrophobicContact CG-CD2 4.13Å
25	K	87	Confident	74.6	Confident	219 Å²	219	87.4 Å²	87.4	95%	0.952	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-26.2	-178.7	-66.3	-175.6	179.6	179.8	0	113.9	C23 C27	C23-K25 PolarHBondContact O-N 3.39Å; K25-C27 VanDerWaalsContact C-N 3.31Å
26	I	89.1	Confident	76.7	Confident	78 Å²	78	84.3 Å²	84.3	40%	0.4	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-14.2	-179.5	-158.2	153.4	0	0	0	113	P24 R42 L44	P24-I26 HydrophobicContact CB-CG2 4.33Å; P24-I26 PolarHBondContact O-N 2.78Å; I26-R42 HydrophobicContact CG1-CB 4.12Å; I26-R42 HydrophobicContact CG1-CG 4.49Å; I26-R42 WeakPolarHBondContact O-CD 2.98Å; I26-L44 HydrophobicContact CD1-CD2 4Å; I26-L44 HydrophobicContact CG1-CD2 4.44Å; I26-L44 HydrophobicContact CG2-CD2 3.95Å
27	C	92.6	Very high	79	Confident	13 Å²	13	79.2 Å²	79.2	9%	0.088	44%	0.442	C	S	.	.	S	Bend	trans	-111.3	161.8	-178.9	-57	0	0	0	0	110.8	P24 K25 V37 Q38 C39	P24-C27 HydrophobicContact CB-CB 4.16Å; P24-C27 HydrophobicContact CG-CB 4.33Å; P24-C27 PolarHBondContact O-N 2.94Å; K25-C27 VanDerWaalsContact C-N 3.31Å; C27-V37 HydrophobicContact CB-CG1 4.07Å; C27-Q38 WeakPolarHBondContact CA-O 3.25Å; C27-C39 HydrophobicContact CB-CB 4.09Å; C27-C39 WeakPolarHBondContact CB-SG 3.39Å; C27-C39 WeakPolarHBondContact SG-CB 3.35Å; C27-C39 CovalentContact SG-SG 2.03Å; C27-C39 PolarHBondContact SG-SG 2.98Å
28	H	93.4	Very high	81.4	Confident	115 Å²	115	74.7 Å²	74.7	53%	0.532	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	128.7	172.5	-175.9	64.9	0	0	0	109.2	Q38	H28-Q38 PolarHBondContact N-O 3.05Å; H28-Q38 PolarHBondContact O-N 2.59Å
29	C	92.9	Very high	83.5	Confident	30 Å²	30	70.4 Å²	70.4	20%	0.203	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	138.5	178.7	-54.5	0	0	0	0	111	C23 M35 V36	C23-C29 VanDerWaalsContact CA-SG 3.56Å; C23-C29 HydrophobicContact CB-CB 3.63Å; C23-C29 WeakPolarHBondContact CB-SG 3.31Å; C23-C29 WeakPolarHBondContact SG-CB 3.48Å; C23-C29 PolarHBondContact SG-N 3.44Å; C23-C29 VanDerWaalsContact SG-N 3.37Å; C23-C29 CovalentContact SG-SG 2.02Å; C23-C29 PolarHBondContact SG-SG 3.15Å; C29-M35 HydrophobicContact CB-SD 3.78Å; C29-V36 CarbonylContact C-O 3.04Å; C29-V36 VanDerWaalsContact CA-O 3.26Å; C29-V36 WeakPolarHBondContact CA-O 3.38Å
30	S	92.4	Very high	85.9	Confident	42 Å²	42	69 Å²	69	29%	0.294	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	133.2	-178.7	-178.3	0	0	0	0	110.1	M35 V36	S30-M35 WeakPolarHBondContact O-CA 3.49Å; S30-V36 PolarHBondContact N-O 2.98Å; S30-V36 PolarHBondContact O-N 3.47Å
31	D	88.8	Confident	87.9	Confident	105 Å²	105	68.8 Å²	68.8	56%	0.561	37%	0.374	S	S	*	.			trans	-119.3	31.9	-173.8	-172.3	27.1	0	0	0	113.1	S33	D31-S33 VanDerWaalsContact C-N 3.33Å; D31-S33 PolarHBondContact O-N 2.98Å
32	R	76.8	Confident	89.5	Confident	236 Å²	236	71.3 Å²	71.3	89%	0.891	38%	0.382	S	S	*	.	S	Bend	trans	-73.8	-23.3	-175.2	-65	-173.1	-178	-146.2	0.9	113.9
33	S	74.9	Confident	90.5	Very high	118 Å²	118	73.7 Å²	73.7	83%	0.825	38%	0.383	S	S	*	.	S	Bend	trans	-152.2	28	-176.5	56.5	0	0	0	0	112.1	D31	D31-S33 VanDerWaalsContact C-N 3.33Å; D31-S33 PolarHBondContact O-N 2.98Å
34	G	82.8	Confident	90.9	Very high	21 Å²	21	72 Å²	72	22%	0.216	37%	0.37	C	S	.	.	S	Bend	trans	114.9	146.3	-164.3	0	0	0	0	0	110.8	V36	G34-V36 PolarHBondContact O-N 3.39Å; G34-V36 VanDerWaalsContact O-N 3.17Å
35	M	91.8	Very high	91.2	Very high	29 Å²	29	77.8 Å²	77.8	14%	0.143	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	112.1	-175.8	177.5	70.1	83.8	0	0	111	C29 S30 V37 P52 D54 T55 V56 V57	C29-M35 HydrophobicContact CB-SD 3.78Å; S30-M35 WeakPolarHBondContact O-CA 3.49Å; M35-V37 HydrophobicContact CG-CG2 4.15Å; M35-P52 HydrophobicContact CE-CB 3.81Å; M35-P52 HydrophobicContact CE-CG 3.89Å; M35-P52 HydrophobicContact CG-CB 4.11Å; M35-P52 HydrophobicContact CG-CG 3.74Å; M35-P52 HydrophobicContact SD-CB 4.42Å; M35-P52 HydrophobicContact SD-CG 3.91Å; M35-D54 HydrophobicContact CB-CB 4.49Å; M35-D54 WeakPolarHBondContact CB-O 3.38Å; M35-D54 WeakPolarHBondContact CE-OD2 3.32Å; M35-T55 WeakPolarHBondContact O-CA 3.28Å; M35-V56 PolarHBondContact O-N 2.97Å; M35-V57 PolarHBondContact O-N 3.27Å
36	V	94.6	Very high	91.5	Very high	40 Å²	40	72.7 Å²	72.7	24%	0.242	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	122.2	172.8	179.8	0	0	0	0	108.1	C29 S30 G34 V57	C29-V36 CarbonylContact C-O 3.04Å; C29-V36 VanDerWaalsContact CA-O 3.26Å; C29-V36 WeakPolarHBondContact CA-O 3.38Å; S30-V36 PolarHBondContact N-O 2.98Å; S30-V36 PolarHBondContact O-N 3.47Å; G34-V36 PolarHBondContact O-N 3.39Å; G34-V36 VanDerWaalsContact O-N 3.17Å; V36-V57 WeakPolarHBondContact CA-O 3.3Å; V36-V57 HydrophobicContact CB-CB 4.41Å; V36-V57 HydrophobicContact CG1-CB 4.1Å; V36-V57 HydrophobicContact CG1-CG1 4.23Å; V36-V57 HydrophobicContact CG2-CB 4.1Å; V36-V57 HydrophobicContact CG2-CG2 4.28Å
37	V	94.9	Very high	91.7	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	111.6	177	-177.4	0	0	0	0	109	C27 M35 L51 P52 T55 V57 L58 L59	C27-V37 HydrophobicContact CB-CG1 4.07Å; M35-V37 HydrophobicContact CG-CG2 4.15Å; V37-L51 HydrophobicContact CB-CD2 4.43Å; V37-L51 HydrophobicContact CG1-CD2 3.73Å; V37-L51 HydrophobicContact CG2-CD2 4.5Å; V37-P52 HydrophobicContact CG2-CG 3.73Å; V37-T55 HydrophobicContact CB-CG2 4.23Å; V37-T55 HydrophobicContact CG2-CG2 3.73Å; V37-T55 WeakPolarHBondContact CG2-OG1 3.42Å; V37-V57 PolarHBondContact N-O 3.4Å; V37-L58 HydrophobicContact CB-CD1 3.85Å; V37-L58 HydrophobicContact CG1-CD1 3.88Å; V37-L59 PolarHBondContact O-N 3.31Å
38	Q	95.4	Very high	91.6	Very high	90 Å²	90	70.7 Å²	70.7	42%	0.421	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	110.2	-177.4	-170.2	164.9	10.3	0	0	111.3	C27 H28 L59	C27-Q38 WeakPolarHBondContact CA-O 3.25Å; H28-Q38 PolarHBondContact N-O 3.05Å; H28-Q38 PolarHBondContact O-N 2.59Å; Q38-L59 HydrophobicContact CG-CB 4.44Å; Q38-L59 HydrophobicContact CG-CD1 4.15Å
39	C	95.4	Very high	91	Very high	0 Å²	0	69 Å²	69	0%	0	38%	0.375	C	S	.	.			trans	-121.7	20.9	-178.3	-55.6	0	0	0	0	112	C27 R42 L44 L59 L60 N63	C27-C39 HydrophobicContact CB-CB 4.09Å; C27-C39 WeakPolarHBondContact CB-SG 3.39Å; C27-C39 WeakPolarHBondContact SG-CB 3.35Å; C27-C39 CovalentContact SG-SG 2.03Å; C27-C39 PolarHBondContact SG-SG 2.98Å; C39-R42 VanDerWaalsContact O-CG 3.3Å; C39-R42 WeakPolarHBondContact O-CG 3.35Å; C39-L44 HydrophobicContact CB-CD1 3.83Å; C39-L59 CarbonylContact C-O 3.33Å; C39-L59 WeakPolarHBondContact CA-O 3.3Å; C39-L59 WeakPolarHBondContact CB-O 3.48Å; C39-L59 PolarHBondContact N-O 3.08Å; C39-L60 HydrophobicContact CB-CD2 3.54Å; C39-L60 HydrophobicContact CB-CG 4.38Å; C39-N63 PolarHBondContact O-ND2 2.96Å
40	T	95.8	Very high	90.6	Very high	42 Å²	42	72.5 Å²	72.5	26%	0.258	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	136.1	-177.2	-48.1	0	0	0	0	112.2	R42 L59 S61	T40-R42 WeakPolarHBondContact O-CG 3.19Å; T40-R42 PolarHBondContact O-N 3.19Å; T40-L59 PolarHBondContact N-O 3.08Å; T40-S61 VanDerWaalsContact CA-O 3.28Å; T40-S61 WeakPolarHBondContact CA-O 3.33Å; T40-S61 WeakPolarHBondContact CG2-O 3.48Å
41	S	96.4	Very high	90.5	Very high	83 Å²	83	70.9 Å²	70.9	58%	0.58	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	47.9	175.2	-154.1	0	0	0	0	114.8	S61 S62	S41-S61 PolarHBondContact N-O 3.49Å; S41-S62 VanDerWaalsContact CA-O 3.28Å; S41-S62 WeakPolarHBondContact CA-O 3.36Å
42	R	94.9	Very high	90.6	Very high	119 Å²	119	66.1 Å²	66.1	45%	0.449	36%	0.355	S	S	.	.	S	Bend	trans	-111.6	10.1	-178.2	-61.2	-59.2	177.8	143.2	0.9	113.9	I26 C39 T40 L44 N63	I26-R42 HydrophobicContact CG1-CB 4.12Å; I26-R42 HydrophobicContact CG1-CG 4.49Å; I26-R42 WeakPolarHBondContact O-CD 2.98Å; C39-R42 VanDerWaalsContact O-CG 3.3Å; C39-R42 WeakPolarHBondContact O-CG 3.35Å; T40-R42 WeakPolarHBondContact O-CG 3.19Å; T40-R42 PolarHBondContact O-N 3.19Å; R42-L44 HydrophobicContact CB-CD1 4.32Å; R42-L44 HydrophobicContact CB-CG 3.99Å; R42-L44 PolarHBondContact O-N 3.25Å; R42-N63 WeakPolarHBondContact CA-OD1 3.46Å; R42-N63 PolarHBondContact N-OD1 2.97Å
43	N	95.4	Very high	91.2	Very high	100 Å²	100	60.3 Å²	60.3	54%	0.535	33%	0.333	S	S	.	.			trans	53.7	34.7	-175.5	-62.6	-62	0	0	0	113	E45 N63 R64	N43-E45 PolarHBondContact O-N 3.13Å; N43-N63 PolarHBondContact N-OD1 3.44Å; N43-R64 PolarHBondContact OD1-NE 3.07Å; N43-R64 PolarHBondContact OD1-NH2 3.29Å
44	L	94.8	Very high	92	Very high	20 Å²	20	57.9 Å²	57.9	11%	0.105	31%	0.311	C	S	.	.			trans	-70.4	129.6	178	-63.2	171.7	0	0	0	110.3	I26 C39 R42 L60 N63 R64 I65	I26-L44 HydrophobicContact CD1-CD2 4Å; I26-L44 HydrophobicContact CG1-CD2 4.44Å; I26-L44 HydrophobicContact CG2-CD2 3.95Å; C39-L44 HydrophobicContact CB-CD1 3.83Å; R42-L44 HydrophobicContact CB-CD1 4.32Å; R42-L44 HydrophobicContact CB-CG 3.99Å; R42-L44 PolarHBondContact O-N 3.25Å; L44-L60 HydrophobicContact CD1-CD2 3.69Å; L44-N63 HydrophobicContact CB-CB 4.05Å; L44-N63 PolarHBondContact N-OD1 3.28Å; L44-R64 CarbonylContact O-C 3.43Å; L44-R64 WeakPolarHBondContact O-CA 3.33Å; L44-R64 PolarHBondContact O-N 3Å; L44-I65 HydrophobicContact CB-CG1 4.4Å; L44-I65 WeakPolarHBondContact O-CG1 3.45Å; L44-I65 PolarHBondContact O-N 3.12Å
45	E	95.2	Very high	92.5	Very high	134 Å²	134	56.9 Å²	56.9	63%	0.626	30%	0.3	S	S	*	.	S	Bend	trans	-92.2	-20.1	173	-64.2	-177.3	177.8	0	0	112.3	N43 I65	N43-E45 PolarHBondContact O-N 3.13Å; E45-I65 WeakPolarHBondContact O-CA 3.4Å
46	N	94.2	Very high	92.6	Very high	112 Å²	112	56.7 Å²	56.7	60%	0.599	30%	0.301	S	S	*	.	S	Bend	trans	-139.5	157.3	-178.3	-65	-67.2	0	0	0	110.6
47	I	92.9	Very high	92.7	Very high	26 Å²	26	56 Å²	56	13%	0.133	30%	0.297	C	S	.	.			trans	-68.3	127.7	173.7	-59	166.3	0	0	0	108.7	A49 L51 L60 I65 I68 A72 F73	I47-A49 PolarHBondContact O-N 3.5Å; I47-L51 HydrophobicContact CG2-CD1 4.23Å; I47-L60 HydrophobicContact CG1-CD1 4.45Å; I47-L60 HydrophobicContact CG2-CD1 4.22Å; I47-I65 HydrophobicContact CG1-CD1 4.26Å; I47-I65 HydrophobicContact CG1-CG2 4.36Å; I47-I68 HydrophobicContact CD1-CG1 4.47Å; I47-I68 HydrophobicContact CD1-CG2 3.99Å; I47-A72 HydrophobicContact CD1-CB 3.95Å; I47-F73 HydrophobicContact CD1-CE1 4.01Å; I47-F73 HydrophobicContact CD1-CE2 4.42Å; I47-F73 HydrophobicContact CD1-CZ 3.59Å; I47-F73 HydrophobicContact CG2-CE1 4.13Å
48	P	89.2	Confident	92.8	Very high	23 Å²	23	56 Å²	56	15%	0.149	30%	0.297	C	S	.	.			trans	-67.7	130.2	-178.7	24.7	-31.9	0	0	0	111.7	P24 N50 L51 L60	P24-P48 HydrophobicContact CB-CB 4.49Å; P24-P48 HydrophobicContact CG-CB 4.3Å; P24-P48 HydrophobicContact CG-CG 4.48Å; P48-N50 VanDerWaalsContact C-N 3.31Å; P48-N50 PolarHBondContact O-N 3.04Å; P48-L51 HydrophobicContact CG-CD1 4.48Å; P48-L51 HydrophobicContact CG-CD2 4.12Å; P48-L51 HydrophobicContact CG-CG 4.3Å; P48-L51 WeakPolarHBondContact O-CD1 3.36Å; P48-L51 VanDerWaalsContact O-CG 3.3Å; P48-L51 WeakPolarHBondContact O-CG 3.3Å; P48-L60 HydrophobicContact CG-CD2 4.49Å
49	A	82.4	Confident	92.8	Very high	79 Å²	79	53.3 Å²	53.3	65%	0.653	29%	0.285	S	S	*	.	S	Bend	trans	-73.9	-19	-178	0	0	0	0	0	114.7	K21 I47 L51	K21-A49 PolarHBondContact NZ-O 3.38Å; I47-A49 PolarHBondContact O-N 3.5Å; A49-L51 VanDerWaalsContact C-N 3.29Å; A49-L51 PolarHBondContact O-N 2.88Å
50	N	84.2	Confident	92.9	Very high	104 Å²	104	53.3 Å²	53.3	56%	0.556	29%	0.285	S	S	*	.			trans	-93.3	47.8	-174.7	-66	-24.8	0	0	0	112	P24 P48	P24-N50 WeakPolarHBondContact CD-O 3.38Å; P24-N50 WeakPolarHBondContact CG-O 3.48Å; P48-N50 VanDerWaalsContact C-N 3.31Å; P48-N50 PolarHBondContact O-N 3.04Å
51	L	90.3	Very high	93	Very high	8 Å²	8	51.8 Å²	51.8	4%	0.042	28%	0.276	C	S	.	.			trans	-85.8	138.3	177.9	-69	166.7	0	0	0	111	K21 P24 V37 I47 P48 A49 L58 L76	K21-L51 WeakPolarHBondContact CB-O 3.38Å; K21-L51 WeakPolarHBondContact CD-O 3.12Å; P24-L51 HydrophobicContact CG-CD2 4.13Å; V37-L51 HydrophobicContact CB-CD2 4.43Å; V37-L51 HydrophobicContact CG1-CD2 3.73Å; V37-L51 HydrophobicContact CG2-CD2 4.5Å; I47-L51 HydrophobicContact CG2-CD1 4.23Å; P48-L51 HydrophobicContact CG-CD1 4.48Å; P48-L51 HydrophobicContact CG-CD2 4.12Å; P48-L51 HydrophobicContact CG-CG 4.3Å; P48-L51 WeakPolarHBondContact O-CD1 3.36Å; P48-L51 VanDerWaalsContact O-CG 3.3Å; P48-L51 WeakPolarHBondContact O-CG 3.3Å; A49-L51 VanDerWaalsContact C-N 3.29Å; A49-L51 PolarHBondContact O-N 2.88Å; L51-L58 HydrophobicContact CD1-CD1 4.3Å; L51-L58 HydrophobicContact CD1-CD2 3.74Å; L51-L58 HydrophobicContact CD2-CD1 3.81Å; L51-L76 HydrophobicContact CB-CD1 4.45Å; L51-L76 HydrophobicContact CB-CD2 3.92Å; L51-L76 HydrophobicContact CD1-CD1 3.96Å
52	P	90.4	Very high	93.1	Very high	4 Å²	4	50.4 Å²	50.4	3%	0.026	27%	0.267	C	S	.	.			trans	-63.8	136.3	174.7	14.2	-17.9	0	0	0	111.4	M35 V37 D54 T55 L76	M35-P52 HydrophobicContact CE-CB 3.81Å; M35-P52 HydrophobicContact CE-CG 3.89Å; M35-P52 HydrophobicContact CG-CB 4.11Å; M35-P52 HydrophobicContact CG-CG 3.74Å; M35-P52 HydrophobicContact SD-CB 4.42Å; M35-P52 HydrophobicContact SD-CG 3.91Å; V37-P52 HydrophobicContact CG2-CG 3.73Å; P52-D54 VanDerWaalsContact CB-OD1 3.28Å; P52-D54 WeakPolarHBondContact CB-OD1 3.4Å; P52-D54 PolarHBondContact O-N 3.48Å; P52-T55 WeakPolarHBondContact CG-OG1 3.33Å; P52-T55 VanDerWaalsContact O-CB 3.3Å; P52-T55 WeakPolarHBondContact O-CB 3.39Å; P52-T55 PolarHBondContact O-N 3.38Å; P52-T55 VanDerWaalsContact O-N 3.15Å; P52-T55 PolarHBondContact O-OG1 3.31Å; P52-L76 VanDerWaalsContact O-CD2 3.28Å; P52-L76 WeakPolarHBondContact O-CD2 3.36Å
53	R	90.2	Very high	93.2	Very high	115 Å²	115	45.2 Å²	45.2	43%	0.434	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-23.6	-175	-62.9	-174.1	-129	-122.9	0.4	113.6	T55 D75	R53-T55 VanDerWaalsContact C-N 3.25Å; R53-D75 HydrophobicContact CG-CB 4.47Å
54	D	90.4	Very high	93.3	Very high	66 Å²	66	46.8 Å²	46.8	35%	0.353	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	1.6	177.7	57.6	-44.5	0	0	0	113.2	M35 P52 V56	M35-D54 HydrophobicContact CB-CB 4.49Å; M35-D54 WeakPolarHBondContact CB-O 3.38Å; M35-D54 WeakPolarHBondContact CE-OD2 3.32Å; P52-D54 VanDerWaalsContact CB-OD1 3.28Å; P52-D54 WeakPolarHBondContact CB-OD1 3.4Å; P52-D54 PolarHBondContact O-N 3.48Å; D54-V56 WeakPolarHBondContact O-CG2 3.29Å; D54-V56 PolarHBondContact O-N 2.86Å
55	T	93.3	Very high	93.4	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.8	123.5	176.6	-57.8	0	0	0	0	111.3	M35 V37 P52 R53 V57 L58 R78 L79	M35-T55 WeakPolarHBondContact O-CA 3.28Å; V37-T55 HydrophobicContact CB-CG2 4.23Å; V37-T55 HydrophobicContact CG2-CG2 3.73Å; V37-T55 WeakPolarHBondContact CG2-OG1 3.42Å; P52-T55 WeakPolarHBondContact CG-OG1 3.33Å; P52-T55 VanDerWaalsContact O-CB 3.3Å; P52-T55 WeakPolarHBondContact O-CB 3.39Å; P52-T55 PolarHBondContact O-N 3.38Å; P52-T55 VanDerWaalsContact O-N 3.15Å; P52-T55 PolarHBondContact O-OG1 3.31Å; R53-T55 VanDerWaalsContact C-N 3.25Å; T55-V57 WeakPolarHBondContact CG2-O 3.34Å; T55-L58 HydrophobicContact CG2-CB 4.16Å; T55-R78 CarbonylContact O-C 3.56Å; T55-L79 HydrophobicContact CG2-CD1 3.94Å; T55-L79 WeakPolarHBondContact O-CA 3.48Å; T55-L79 PolarHBondContact O-N 3.47Å
56	V	95.2	Very high	93.5	Very high	25 Å²	25	45.9 Å²	45.9	15%	0.152	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	-35.8	176.1	-178	0	0	0	0	110.9	M35 D54 R80 E81	M35-V56 PolarHBondContact O-N 2.97Å; D54-V56 WeakPolarHBondContact O-CG2 3.29Å; D54-V56 PolarHBondContact O-N 2.86Å; V56-R80 HydrophobicContact CG1-CB 4.11Å; V56-R80 HydrophobicContact CG1-CG 3.96Å; V56-R80 PolarHBondContact O-N 3.49Å; V56-E81 PolarHBondContact O-N 3.39Å
57	V	95.9	Very high	93.6	Very high	27 Å²	27	44.5 Å²	44.5	16%	0.164	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	125	-179	-178.5	0	0	0	0	108.7	M35 V36 V37 T55 L59 E81	M35-V57 PolarHBondContact O-N 3.27Å; V36-V57 WeakPolarHBondContact CA-O 3.3Å; V36-V57 HydrophobicContact CB-CB 4.41Å; V36-V57 HydrophobicContact CG1-CB 4.1Å; V36-V57 HydrophobicContact CG1-CG1 4.23Å; V36-V57 HydrophobicContact CG2-CB 4.1Å; V36-V57 HydrophobicContact CG2-CG2 4.28Å; V37-V57 PolarHBondContact N-O 3.4Å; T55-V57 WeakPolarHBondContact CG2-O 3.34Å; V57-L59 HydrophobicContact CG1-CD2 3.74Å; V57-L59 HydrophobicContact CG1-CG 4Å; V57-E81 WeakPolarHBondContact CA-O 3.02Å; V57-E81 HydrophobicContact CG1-CB 4.18Å; V57-E81 HydrophobicContact CG1-CG 4.32Å; V57-E81 HydrophobicContact CG2-CB 4.25Å
58	L	96.1	Very high	93.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	111.5	178.1	-180	57.5	0	0	0	109.8	V37 L51 T55 L60 F73 L76 L79 E81 L82 D83	V37-L58 HydrophobicContact CB-CD1 3.85Å; V37-L58 HydrophobicContact CG1-CD1 3.88Å; L51-L58 HydrophobicContact CD1-CD1 4.3Å; L51-L58 HydrophobicContact CD1-CD2 3.74Å; L51-L58 HydrophobicContact CD2-CD1 3.81Å; T55-L58 HydrophobicContact CG2-CB 4.16Å; L58-L60 HydrophobicContact CD1-CD1 4.08Å; L58-L60 HydrophobicContact CD1-CG 4.05Å; L58-L60 HydrophobicContact CD2-CD1 3.74Å; L58-L60 HydrophobicContact CG-CD1 3.75Å; L58-L60 HydrophobicContact CG-CG 4.04Å; L58-F73 HydrophobicContact CD2-CD1 4.32Å; L58-F73 HydrophobicContact CD2-CE1 4.02Å; L58-L76 HydrophobicContact CD2-CD1 4.06Å; L58-L79 HydrophobicContact CB-CD1 3.66Å; L58-E81 PolarHBondContact N-O 2.95Å; L58-L82 HydrophobicContact CB-CD1 4.02Å; L58-L82 HydrophobicContact CD2-CD1 3.85Å; L58-L82 HydrophobicContact CG-CD1 3.93Å; L58-D83 PolarHBondContact O-N 3.5Å
59	L	97.3	Very high	93.8	Very high	32 Å²	32	45.2 Å²	45.2	17%	0.168	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	105.3	-179.4	-52	177.6	0	0	0	109.6	V37 Q38 C39 T40 V57 D83	V37-L59 PolarHBondContact O-N 3.31Å; Q38-L59 HydrophobicContact CG-CB 4.44Å; Q38-L59 HydrophobicContact CG-CD1 4.15Å; C39-L59 CarbonylContact C-O 3.33Å; C39-L59 WeakPolarHBondContact CA-O 3.3Å; C39-L59 WeakPolarHBondContact CB-O 3.48Å; C39-L59 PolarHBondContact N-O 3.08Å; T40-L59 PolarHBondContact N-O 3.08Å; V57-L59 HydrophobicContact CG1-CD2 3.74Å; V57-L59 HydrophobicContact CG1-CG 4Å; L59-D83 HydrophobicContact CD2-CB 3.82Å
60	L	96.8	Very high	94.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.222	C	C	.	.			trans	-117.2	18.2	-179.5	-75.5	164.1	0	0	0	112.1	C39 L44 I47 P48 L58 N63 I65 L82 D83 L84 N87	C39-L60 HydrophobicContact CB-CD2 3.54Å; C39-L60 HydrophobicContact CB-CG 4.38Å; L44-L60 HydrophobicContact CD1-CD2 3.69Å; I47-L60 HydrophobicContact CG1-CD1 4.45Å; I47-L60 HydrophobicContact CG2-CD1 4.22Å; P48-L60 HydrophobicContact CG-CD2 4.49Å; L58-L60 HydrophobicContact CD1-CD1 4.08Å; L58-L60 HydrophobicContact CD1-CG 4.05Å; L58-L60 HydrophobicContact CD2-CD1 3.74Å; L58-L60 HydrophobicContact CG-CD1 3.75Å; L58-L60 HydrophobicContact CG-CG 4.04Å; L60-N63 PolarHBondContact O-ND2 3.34Å; L60-I65 HydrophobicContact CB-CD1 4.27Å; L60-I65 HydrophobicContact CD2-CD1 4.35Å; L60-L82 HydrophobicContact CD1-CD1 4.49Å; L60-D83 CarbonylContact C-O 3.45Å; L60-D83 WeakPolarHBondContact CA-O 3.39Å; L60-D83 WeakPolarHBondContact CB-O 3.49Å; L60-D83 PolarHBondContact N-O 2.89Å; L60-L84 HydrophobicContact CB-CD2 3.69Å; L60-L84 HydrophobicContact CB-CG 4.46Å; L60-L84 HydrophobicContact CD1-CD2 3.96Å; L60-L84 HydrophobicContact CG-CD2 4.49Å; L60-N87 PolarHBondContact O-ND2 2.93Å
61	S	97.7	Very high	94.4	Very high	11 Å²	11	46.5 Å²	46.5	8%	0.077	22%	0.219	C	C	.	.			trans	-65.6	158	-178.4	41	0	0	0	0	114.7	T40 S41 N63 D83 S85	T40-S61 VanDerWaalsContact CA-O 3.28Å; T40-S61 WeakPolarHBondContact CA-O 3.33Å; T40-S61 WeakPolarHBondContact CG2-O 3.48Å; S41-S61 PolarHBondContact N-O 3.49Å; S61-N63 VanDerWaalsContact C-N 3.31Å; S61-N63 PolarHBondContact O-N 3.48Å; S61-N63 PolarHBondContact O-ND2 3.47Å; S61-D83 WeakPolarHBondContact CB-OD2 3.39Å; S61-D83 PolarHBondContact N-O 3.46Å; S61-D83 PolarHBondContact OG-OD2 3.32Å; S61-S85 CarbonylContact C-O 3.56Å; S61-S85 WeakPolarHBondContact CA-O 3.23Å; S61-S85 WeakPolarHBondContact CB-O 3.38Å; S61-S85 WeakPolarHBondContact CB-OG 3.28Å
62	S	97.8	Very high	94.4	Very high	54 Å²	54	47.4 Å²	47.4	38%	0.378	23%	0.227	S	C	.	.	S	Bend	trans	57.6	39.5	178.3	-58.5	0	0	0	0	113.6	S41 S85 H86	S41-S62 VanDerWaalsContact CA-O 3.28Å; S41-S62 WeakPolarHBondContact CA-O 3.36Å; S62-S85 PolarHBondContact N-O 2.9Å; S62-H86 CarbonylContact C-O 3.59Å; S62-H86 WeakPolarHBondContact CA-O 3.48Å; S62-H86 PolarHBondContact N-O 3.2Å
63	N	97.8	Very high	94.5	Very high	9 Å²	9	47.2 Å²	47.2	5%	0.048	23%	0.226	C	C	.	.	S	Bend	trans	-111.6	-164.5	175.6	-78.1	-61.4	0	0	0	110.2	C39 R42 N43 L44 L60 S61 I65 H86 N87	C39-N63 PolarHBondContact O-ND2 2.96Å; R42-N63 WeakPolarHBondContact CA-OD1 3.46Å; R42-N63 PolarHBondContact N-OD1 2.97Å; N43-N63 PolarHBondContact N-OD1 3.44Å; L44-N63 HydrophobicContact CB-CB 4.05Å; L44-N63 PolarHBondContact N-OD1 3.28Å; L60-N63 PolarHBondContact O-ND2 3.34Å; S61-N63 VanDerWaalsContact C-N 3.31Å; S61-N63 PolarHBondContact O-N 3.48Å; S61-N63 PolarHBondContact O-ND2 3.47Å; N63-I65 HydrophobicContact CB-CD1 4.38Å; N63-I65 HydrophobicContact CB-CG1 4.17Å; N63-H86 PolarHBondContact N-O 3.42Å; N63-N87 VanDerWaalsContact CA-OD1 3.24Å; N63-N87 WeakPolarHBondContact CA-OD1 3.39Å; N63-N87 WeakPolarHBondContact CB-OD1 3.5Å; N63-N87 PolarHBondContact N-OD1 3.5Å; N63-N87 PolarHBondContact O-OD1 3.43Å
64	R	97.6	Very high	94.5	Very high	134 Å²	134	43.4 Å²	43.4	51%	0.506	22%	0.219	S	C	.	.			trans	-122.6	29.8	-177.9	-58.2	-177.9	-172.2	-151.4	-1.6	111.1	N43 L44 R66 N87 L88	N43-R64 PolarHBondContact OD1-NE 3.07Å; N43-R64 PolarHBondContact OD1-NH2 3.29Å; L44-R64 CarbonylContact O-C 3.43Å; L44-R64 WeakPolarHBondContact O-CA 3.33Å; L44-R64 PolarHBondContact O-N 3Å; R64-R66 PolarHBondContact O-N 3.3Å; R64-N87 PolarHBondContact N-OD1 2.87Å; R64-L88 HydrophobicContact CB-CD1 4.06Å; R64-L88 HydrophobicContact CG-CD1 4.38Å
65	I	97.4	Very high	94.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.221	C	C	.	.			trans	-70.9	129.6	-177.2	-54.9	171.3	0	0	0	108.3	L44 E45 I47 L60 N63 L84 N87 L88 L89	L44-I65 HydrophobicContact CB-CG1 4.4Å; L44-I65 WeakPolarHBondContact O-CG1 3.45Å; L44-I65 PolarHBondContact O-N 3.12Å; E45-I65 WeakPolarHBondContact O-CA 3.4Å; I47-I65 HydrophobicContact CG1-CD1 4.26Å; I47-I65 HydrophobicContact CG1-CG2 4.36Å; L60-I65 HydrophobicContact CB-CD1 4.27Å; L60-I65 HydrophobicContact CD2-CD1 4.35Å; N63-I65 HydrophobicContact CB-CD1 4.38Å; N63-I65 HydrophobicContact CB-CG1 4.17Å; I65-L84 HydrophobicContact CD1-CD2 3.92Å; I65-N87 HydrophobicContact CB-CB 4.46Å; I65-N87 WeakPolarHBondContact CB-OD1 3.25Å; I65-N87 WeakPolarHBondContact CG1-OD1 3.32Å; I65-N87 PolarHBondContact N-OD1 3.41Å; I65-N87 VanDerWaalsContact N-OD1 3.08Å; I65-L88 CarbonylContact O-C 3.55Å; I65-L88 WeakPolarHBondContact O-CA 3.28Å; I65-L88 PolarHBondContact O-N 2.9Å; I65-L89 HydrophobicContact CB-CD2 4.27Å; I65-L89 HydrophobicContact CG2-CD2 3.75Å; I65-L89 PolarHBondContact O-N 3.4Å; I65-L89 VanDerWaalsContact O-N 3.12Å
66	R	96.4	Very high	94.4	Very high	135 Å²	135	43.9 Å²	43.9	51%	0.509	22%	0.222	S	C	.	.			trans	-104.9	-29.8	-176.3	-63.8	-170.7	-174	-177.7	-0.2	115	R64 L88 L89 E90	R64-R66 PolarHBondContact O-N 3.3Å; R66-L88 WeakPolarHBondContact CA-O 3.14Å; R66-L88 HydrophobicContact CG-CB 4.19Å; R66-L89 CarbonylContact O-C 2.99Å; R66-L89 WeakPolarHBondContact O-CA 3.22Å; R66-E90 PolarHBondContact O-N 2.94Å
67	H	95.4	Very high	94.2	Very high	83 Å²	83	49.7 Å²	49.7	38%	0.384	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	144.2	-177.4	-50.4	-67.9	0	0	0	110.2	E90 S91	H67-E90 IonicContact CE1-OE2 3.98Å; H67-S91 WeakPolarHBondContact CA-O 3.39Å; H67-S91 PolarHBondContact ND1-OG 2.86Å
68	I	95.4	Very high	94.1	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	109.6	168	-53	-179.7	0	0	0	107.1	I47 A72 F73 L84 L89 S91 V92 D93 F97 L109	I47-I68 HydrophobicContact CD1-CG1 4.47Å; I47-I68 HydrophobicContact CD1-CG2 3.99Å; I68-A72 HydrophobicContact CG2-CB 3.9Å; I68-F73 HydrophobicContact CG2-CE2 3.79Å; I68-F73 HydrophobicContact CG2-CZ 4.28Å; I68-L84 HydrophobicContact CD1-CD1 3.65Å; I68-L84 HydrophobicContact CG1-CD1 4.42Å; I68-L89 HydrophobicContact CD1-CD1 4.02Å; I68-L89 HydrophobicContact CD1-CD2 4.5Å; I68-L89 HydrophobicContact CG1-CD1 4.2Å; I68-L89 HydrophobicContact CG1-CD2 3.77Å; I68-S91 PolarHBondContact N-O 3.47Å; I68-V92 HydrophobicContact CB-CG1 4.18Å; I68-V92 HydrophobicContact CD1-CG1 4.22Å; I68-V92 HydrophobicContact CD1-CG2 3.91Å; I68-V92 HydrophobicContact CG1-CG2 4.26Å; I68-D93 WeakPolarHBondContact O-CB 2.96Å; I68-D93 PolarHBondContact O-N 3.35Å; I68-D93 VanDerWaalsContact O-N 3.07Å; I68-F97 HydrophobicContact CD1-CZ 4.03Å; I68-L109 HydrophobicContact CD1-CD2 4.05Å
69	P	92.4	Very high	94	Very high	63 Å²	63	56 Å²	56	41%	0.409	27%	0.268	S	S	.	.			trans	-70.7	159.4	-179.3	28.8	-33	0	0	0	111.5	E71 A72 D93	P69-E71 PolarHBondContact O-N 3.14Å; P69-A72 HydrophobicContact CG-CB 4.01Å; P69-A72 VanDerWaalsContact O-CB 3.29Å; P69-A72 WeakPolarHBondContact O-CB 3.49Å; P69-A72 PolarHBondContact O-N 3.07Å; P69-D93 WeakPolarHBondContact CA-OD2 3.22Å
70	K	90.8	Very high	94	Very high	104 Å²	104	60.7 Å²	60.7	45%	0.452	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	139.5	169.2	-179	163.8	-176.3	146.1	0	111.2	A72 D93 D95	K70-A72 PolarHBondContact O-N 3.1Å; K70-D93 HydrophobicContact CB-CB 4.31Å; K70-D93 PolarHBondContact N-OD2 2.96Å; K70-D93 VanDerWaalsContact N-OD2 3.13Å; K70-D95 HydrophobicContact CD-CB 4.47Å; K70-D95 HydrophobicContact CG-CB 4.33Å; K70-D95 IonicContact NZ-OD2 3.58Å; K70-D95 PolarHBondContact NZ-OD2 2.75Å
71	E	88.4	Confident	94	Very high	106 Å²	106	64.8 Å²	64.8	50%	0.495	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.9	19.9	177.4	-70.8	172.4	-158.2	0	0	115	P69 F73 A74	P69-E71 PolarHBondContact O-N 3.14Å; E71-F73 PolarHBondContact O-N 2.78Å; E71-A74 HydrophobicContact CB-CB 3.98Å; E71-A74 HydrophobicContact CG-CB 4.44Å; E71-A74 WeakPolarHBondContact O-CB 3.11Å; E71-A74 PolarHBondContact O-N 3.2Å
72	A	89.3	Confident	94	Very high	27 Å²	27	64.3 Å²	64.3	22%	0.223	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-31.4	-179.8	0	0	0	0	0	113.9	I47 I68 P69 K70	I47-A72 HydrophobicContact CD1-CB 3.95Å; I68-A72 HydrophobicContact CG2-CB 3.9Å; P69-A72 HydrophobicContact CG-CB 4.01Å; P69-A72 VanDerWaalsContact O-CB 3.29Å; P69-A72 WeakPolarHBondContact O-CB 3.49Å; P69-A72 PolarHBondContact O-N 3.07Å; K70-A72 PolarHBondContact O-N 3.1Å
73	F	92.6	Very high	94	Very high	0 Å²	0	63 Å²	63	0%	0	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.2	17.7	-177.2	-48	-67.4	0	0	0	113.5	I47 L58 I68 E71 D75 L76 L79 L82 L84 F97 V100	I47-F73 HydrophobicContact CD1-CE1 4.01Å; I47-F73 HydrophobicContact CD1-CE2 4.42Å; I47-F73 HydrophobicContact CD1-CZ 3.59Å; I47-F73 HydrophobicContact CG2-CE1 4.13Å; L58-F73 HydrophobicContact CD2-CD1 4.32Å; L58-F73 HydrophobicContact CD2-CE1 4.02Å; I68-F73 HydrophobicContact CG2-CE2 3.79Å; I68-F73 HydrophobicContact CG2-CZ 4.28Å; E71-F73 PolarHBondContact O-N 2.78Å; F73-D75 PolarHBondContact O-N 2.83Å; F73-D75 VanDerWaalsContact O-N 3.14Å; F73-L76 HydrophobicContact CB-CD1 4.4Å; F73-L76 HydrophobicContact CD1-CD1 3.96Å; F73-L76 PolarHBondContact O-N 3.28Å; F73-L79 HydrophobicContact CD1-CD2 4.49Å; F73-L82 HydrophobicContact CD1-CD2 4.39Å; F73-L82 HydrophobicContact CD2-CD2 4.13Å; F73-L82 HydrophobicContact CE1-CD1 4.17Å; F73-L82 HydrophobicContact CE1-CD2 3.87Å; F73-L82 HydrophobicContact CE2-CD2 3.59Å; F73-L82 HydrophobicContact CG-CD2 4.5Å; F73-L82 HydrophobicContact CZ-CD1 4.28Å; F73-L82 HydrophobicContact CZ-CD2 3.43Å; F73-L82 VanDerWaalsContact CZ-CD2 3.43Å; F73-L82 HydrophobicContact CZ-CG 4.49Å; F73-L84 HydrophobicContact CZ-CD1 4.17Å; F73-F97 AromaticContact CD2-CD1 3.91Å; F73-F97 HydrophobicContact CD2-CD1 3.91Å; F73-F97 HydrophobicContact CD2-CE1 4.04Å; F73-F97 HydrophobicContact CE2-CD1 4.06Å; F73-F97 AromaticContact CE2-CE1 3.69Å; F73-F97 HydrophobicContact CE2-CE1 3.69Å; F73-V100 HydrophobicContact CB-CG1 3.78Å; F73-V100 HydrophobicContact CB-CG2 4.36Å
74	A	90.1	Very high	94	Very high	35 Å²	35	62.5 Å²	62.5	29%	0.289	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-37	-174.8	0	0	0	0	0	114.1	E71	E71-A74 HydrophobicContact CB-CB 3.98Å; E71-A74 HydrophobicContact CG-CB 4.44Å; E71-A74 WeakPolarHBondContact O-CB 3.11Å; E71-A74 PolarHBondContact O-N 3.2Å
75	D	88.6	Confident	94	Very high	72 Å²	72	56.7 Å²	56.7	39%	0.385	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-5.8	-177.4	-77.5	-33.4	0	0	0	114.3	K21 R53 F73 Q77	K21-D75 IonicContact NZ-OD2 3.07Å; K21-D75 PolarHBondContact NZ-OD2 3.32Å; R53-D75 HydrophobicContact CG-CB 4.47Å; F73-D75 PolarHBondContact O-N 2.83Å; F73-D75 VanDerWaalsContact O-N 3.14Å; D75-Q77 PolarHBondContact O-N 2.88Å
76	L	92.6	Very high	94	Very high	4 Å²	4	61.3 Å²	61.3	2%	0.021	29%	0.287	C	S	.	.			trans	-102.6	50.6	-169.4	-54.2	-177	0	0	0	112.5	L51 P52 L58 F73 R78 L79 V100	L51-L76 HydrophobicContact CB-CD1 4.45Å; L51-L76 HydrophobicContact CB-CD2 3.92Å; L51-L76 HydrophobicContact CD1-CD1 3.96Å; P52-L76 VanDerWaalsContact O-CD2 3.28Å; P52-L76 WeakPolarHBondContact O-CD2 3.36Å; L58-L76 HydrophobicContact CD2-CD1 4.06Å; F73-L76 HydrophobicContact CB-CD1 4.4Å; F73-L76 HydrophobicContact CD1-CD1 3.96Å; F73-L76 PolarHBondContact O-N 3.28Å; L76-R78 PolarHBondContact O-N 2.94Å; L76-L79 HydrophobicContact CB-CB 4.03Å; L76-L79 HydrophobicContact CB-CD2 4.45Å; L76-L79 HydrophobicContact CD1-CD2 4.24Å; L76-L79 WeakPolarHBondContact O-CB 3.44Å; L76-L79 PolarHBondContact O-N 3.19Å; L76-V100 HydrophobicContact CB-CG1 4.34Å; L76-V100 WeakPolarHBondContact O-CG1 3.44Å
77	Q	91.8	Very high	94.1	Very high	147 Å²	147	55.2 Å²	55.2	69%	0.687	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-17.2	-173.2	-64	-175.9	-12.7	0	0	114.9	D75 S103	D75-Q77 PolarHBondContact O-N 2.88Å; Q77-S103 WeakPolarHBondContact O-CB 3.29Å; Q77-S103 PolarHBondContact O-OG 2.88Å
78	R	93.4	Very high	94.2	Very high	160 Å²	160	54 Å²	54	60%	0.604	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	0.3	178.3	-58.6	-173.1	75.3	112.1	-3	113.8	T55 L76 R80	T55-R78 CarbonylContact O-C 3.56Å; L76-R78 PolarHBondContact O-N 2.94Å; R78-R80 PolarHBondContact O-N 3.49Å
79	L	95.5	Very high	94.3	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.26	C	S	.	.			trans	-63.8	124.9	-176.9	-169.9	67.8	0	0	0	110.1	T55 L58 F73 L76 E81 L82 V100 S103 L104	T55-L79 HydrophobicContact CG2-CD1 3.94Å; T55-L79 WeakPolarHBondContact O-CA 3.48Å; T55-L79 PolarHBondContact O-N 3.47Å; L58-L79 HydrophobicContact CB-CD1 3.66Å; F73-L79 HydrophobicContact CD1-CD2 4.49Å; L76-L79 HydrophobicContact CB-CB 4.03Å; L76-L79 HydrophobicContact CB-CD2 4.45Å; L76-L79 HydrophobicContact CD1-CD2 4.24Å; L76-L79 WeakPolarHBondContact O-CB 3.44Å; L76-L79 PolarHBondContact O-N 3.19Å; L79-E81 WeakPolarHBondContact CD1-O 2.99Å; L79-L82 HydrophobicContact CD2-CB 4.2Å; L79-L82 HydrophobicContact CD2-CD2 4.39Å; L79-V100 HydrophobicContact CB-CG1 4.02Å; L79-V100 HydrophobicContact CD2-CG1 4.14Å; L79-S103 CarbonylContact O-C 3.53Å; L79-S103 VanDerWaalsContact O-CB 3.31Å; L79-S103 WeakPolarHBondContact O-CB 3.47Å; L79-S103 PolarHBondContact O-OG 3.22Å; L79-L104 HydrophobicContact CD2-CD1 3.98Å; L79-L104 HydrophobicContact CG-CD1 3.89Å; L79-L104 WeakPolarHBondContact O-CA 3.47Å; L79-L104 PolarHBondContact O-N 3.02Å; L79-L104 VanDerWaalsContact O-N 3.15Å
80	R	96.1	Very high	94.5	Very high	131 Å²	131	55 Å²	55	49%	0.494	26%	0.259	S	S	.	.			trans	-111.7	-31.8	179.3	-66.3	-177.9	-177.9	-179.5	-2.1	112.1	V56 R78 R105 T106	V56-R80 HydrophobicContact CG1-CB 4.11Å; V56-R80 HydrophobicContact CG1-CG 3.96Å; V56-R80 PolarHBondContact O-N 3.49Å; R78-R80 PolarHBondContact O-N 3.49Å; R80-R105 WeakPolarHBondContact O-CA 3.39Å; R80-R105 PolarHBondContact O-N 3.25Å; R80-T106 PolarHBondContact O-N 3.32Å
81	E	96.9	Very high	94.6	Very high	86 Å²	86	52.1 Å²	52.1	40%	0.402	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	126	-175.8	-175.7	172.8	162.9	0	0	109.9	V56 V57 L58 L79 T106	V56-E81 PolarHBondContact O-N 3.39Å; V57-E81 WeakPolarHBondContact CA-O 3.02Å; V57-E81 HydrophobicContact CG1-CB 4.18Å; V57-E81 HydrophobicContact CG1-CG 4.32Å; V57-E81 HydrophobicContact CG2-CB 4.25Å; L58-E81 PolarHBondContact N-O 2.95Å; L79-E81 WeakPolarHBondContact CD1-O 2.99Å; E81-T106 WeakPolarHBondContact CA-O 3.25Å
82	L	97.4	Very high	94.9	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	115.7	177.5	176.3	55.1	0	0	0	109	L58 L60 F73 L79 L84 F97 L104 T106 L107 D108	L58-L82 HydrophobicContact CB-CD1 4.02Å; L58-L82 HydrophobicContact CD2-CD1 3.85Å; L58-L82 HydrophobicContact CG-CD1 3.93Å; L60-L82 HydrophobicContact CD1-CD1 4.49Å; F73-L82 HydrophobicContact CD1-CD2 4.39Å; F73-L82 HydrophobicContact CD2-CD2 4.13Å; F73-L82 HydrophobicContact CE1-CD1 4.17Å; F73-L82 HydrophobicContact CE1-CD2 3.87Å; F73-L82 HydrophobicContact CE2-CD2 3.59Å; F73-L82 HydrophobicContact CG-CD2 4.5Å; F73-L82 HydrophobicContact CZ-CD1 4.28Å; F73-L82 HydrophobicContact CZ-CD2 3.43Å; F73-L82 VanDerWaalsContact CZ-CD2 3.43Å; F73-L82 HydrophobicContact CZ-CG 4.49Å; L79-L82 HydrophobicContact CD2-CB 4.2Å; L79-L82 HydrophobicContact CD2-CD2 4.39Å; L82-L84 HydrophobicContact CD1-CD1 4.13Å; L82-L84 HydrophobicContact CD1-CG 4.04Å; L82-L84 HydrophobicContact CD2-CD1 3.94Å; L82-L84 HydrophobicContact CG-CD1 3.99Å; L82-L84 HydrophobicContact CG-CG 4.23Å; L82-F97 HydrophobicContact CD2-CE1 3.97Å; L82-L104 HydrophobicContact CB-CD1 3.92Å; L82-T106 PolarHBondContact N-O 3.43Å; L82-L107 HydrophobicContact CB-CD1 3.98Å; L82-L107 HydrophobicContact CD2-CD1 3.74Å; L82-L107 HydrophobicContact CG-CD1 3.78Å; L82-L107 WeakPolarHBondContact O-CA 3.43Å; L82-D108 PolarHBondContact O-N 2.92Å
83	D	97.9	Very high	95	Very high	25 Å²	25	49.5 Å²	49.5	13%	0.134	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	110.7	175.6	175.3	17.5	0	0	0	109.8	L58 L59 L60 S61 S85	L58-D83 PolarHBondContact O-N 3.5Å; L59-D83 HydrophobicContact CD2-CB 3.82Å; L60-D83 CarbonylContact C-O 3.45Å; L60-D83 WeakPolarHBondContact CA-O 3.39Å; L60-D83 WeakPolarHBondContact CB-O 3.49Å; L60-D83 PolarHBondContact N-O 2.89Å; S61-D83 WeakPolarHBondContact CB-OD2 3.39Å; S61-D83 PolarHBondContact N-O 3.46Å; S61-D83 PolarHBondContact OG-OD2 3.32Å; D83-S85 VanDerWaalsContact OD1-CB 3.23Å; D83-S85 WeakPolarHBondContact OD1-CB 3.33Å; D83-S85 PolarHBondContact OD1-N 2.9Å; D83-S85 PolarHBondContact OD1-OG 2.9Å
84	L	97.7	Very high	94.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.258	C	S	.	.			trans	-117.6	19.3	174.2	-78.1	163.2	0	0	0	110.9	L60 I65 I68 F73 L82 N87 L89 D108 L109 N112	L60-L84 HydrophobicContact CB-CD2 3.69Å; L60-L84 HydrophobicContact CB-CG 4.46Å; L60-L84 HydrophobicContact CD1-CD2 3.96Å; L60-L84 HydrophobicContact CG-CD2 4.49Å; I65-L84 HydrophobicContact CD1-CD2 3.92Å; I68-L84 HydrophobicContact CD1-CD1 3.65Å; I68-L84 HydrophobicContact CG1-CD1 4.42Å; F73-L84 HydrophobicContact CZ-CD1 4.17Å; L82-L84 HydrophobicContact CD1-CD1 4.13Å; L82-L84 HydrophobicContact CD1-CG 4.04Å; L82-L84 HydrophobicContact CD2-CD1 3.94Å; L82-L84 HydrophobicContact CG-CD1 3.99Å; L82-L84 HydrophobicContact CG-CG 4.23Å; L84-N87 PolarHBondContact O-ND2 2.88Å; L84-L89 HydrophobicContact CB-CD1 4.16Å; L84-D108 CarbonylContact C-O 3.58Å; L84-D108 WeakPolarHBondContact CA-O 3.42Å; L84-D108 PolarHBondContact N-O 3.26Å; L84-L109 HydrophobicContact CB-CD2 3.89Å; L84-L109 HydrophobicContact CD1-CD2 4.01Å; L84-N112 PolarHBondContact O-ND2 3.46Å
85	S	98	Very high	94.6	Very high	11 Å²	11	54.6 Å²	54.6	8%	0.077	26%	0.261	C	S	.	.			trans	-64	155.9	-179.7	65.5	0	0	0	0	112.5	S61 S62 D83 N87 D108 S110	S61-S85 CarbonylContact C-O 3.56Å; S61-S85 WeakPolarHBondContact CA-O 3.23Å; S61-S85 WeakPolarHBondContact CB-O 3.38Å; S61-S85 WeakPolarHBondContact CB-OG 3.28Å; S62-S85 PolarHBondContact N-O 2.9Å; D83-S85 VanDerWaalsContact OD1-CB 3.23Å; D83-S85 WeakPolarHBondContact OD1-CB 3.33Å; D83-S85 PolarHBondContact OD1-N 2.9Å; D83-S85 PolarHBondContact OD1-OG 2.9Å; S85-N87 VanDerWaalsContact C-N 3.3Å; S85-N87 PolarHBondContact O-N 3.42Å; S85-N87 PolarHBondContact O-ND2 3.25Å; S85-D108 PolarHBondContact N-O 2.83Å; S85-S110 CarbonylContact C-O 3.2Å; S85-S110 WeakPolarHBondContact CA-O 3.34Å; S85-S110 WeakPolarHBondContact CB-OG 3.26Å
86	H	97.9	Very high	94.7	Very high	98 Å²	98	51.2 Å²	51.2	45%	0.454	24%	0.242	S	C	.	.	S	Bend	trans	54.9	45.5	178.9	-60.5	-81.4	0	0	0	112.7	S62 N63 S110 N111	S62-H86 CarbonylContact C-O 3.59Å; S62-H86 WeakPolarHBondContact CA-O 3.48Å; S62-H86 PolarHBondContact N-O 3.2Å; N63-H86 PolarHBondContact N-O 3.42Å; H86-S110 PolarHBondContact N-O 3.32Å; H86-N111 VanDerWaalsContact CA-O 3.22Å; H86-N111 WeakPolarHBondContact CA-O 3.44Å; H86-N111 PolarHBondContact N-O 2.93Å; H86-N111 WeakPolarHBondContact ND1-CB 3.44Å
87	N	98.3	Very high	94.6	Very high	6 Å²	6	51 Å²	51	3%	0.032	24%	0.242	C	C	.	.	S	Bend	trans	-110.9	-166.6	170.8	-86.4	-80.9	0	0	0	109.5	L60 N63 R64 I65 L84 S85 L89 N111 N112	L60-N87 PolarHBondContact O-ND2 2.93Å; N63-N87 VanDerWaalsContact CA-OD1 3.24Å; N63-N87 WeakPolarHBondContact CA-OD1 3.39Å; N63-N87 WeakPolarHBondContact CB-OD1 3.5Å; N63-N87 PolarHBondContact N-OD1 3.5Å; N63-N87 PolarHBondContact O-OD1 3.43Å; R64-N87 PolarHBondContact N-OD1 2.87Å; I65-N87 HydrophobicContact CB-CB 4.46Å; I65-N87 WeakPolarHBondContact CB-OD1 3.25Å; I65-N87 WeakPolarHBondContact CG1-OD1 3.32Å; I65-N87 PolarHBondContact N-OD1 3.41Å; I65-N87 VanDerWaalsContact N-OD1 3.08Å; L84-N87 PolarHBondContact O-ND2 2.88Å; S85-N87 VanDerWaalsContact C-N 3.3Å; S85-N87 PolarHBondContact O-N 3.42Å; S85-N87 PolarHBondContact O-ND2 3.25Å; N87-L89 HydrophobicContact CB-CG 4.2Å; N87-N111 PolarHBondContact N-O 2.02Å; N87-N112 VanDerWaalsContact CA-OD1 3.22Å; N87-N112 WeakPolarHBondContact CA-OD1 3.28Å; N87-N112 WeakPolarHBondContact CB-OD1 3.09Å; N87-N112 PolarHBondContact N-OD1 2.93Å; N87-N112 PolarHBondContact O-OD1 3.4Å
88	L	97.8	Very high	94.5	Very high	57 Å²	57	48.2 Å²	48.2	30%	0.298	23%	0.231	S	C	.	.			trans	-116.5	33.8	178	-58.4	174.2	0	0	0	109.9	R64 I65 R66 E90 N112	R64-L88 HydrophobicContact CB-CD1 4.06Å; R64-L88 HydrophobicContact CG-CD1 4.38Å; I65-L88 CarbonylContact O-C 3.55Å; I65-L88 WeakPolarHBondContact O-CA 3.28Å; I65-L88 PolarHBondContact O-N 2.9Å; R66-L88 WeakPolarHBondContact CA-O 3.14Å; R66-L88 HydrophobicContact CG-CB 4.19Å; L88-E90 PolarHBondContact O-N 2.87Å; L88-E90 VanDerWaalsContact O-N 3.15Å; L88-N112 PolarHBondContact N-OD1 3.22Å
89	L	97.8	Very high	94.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.213	C	C	.	.			trans	-64.9	117.6	-173.2	-68.9	172.1	0	0	0	110.1	I65 R66 I68 L84 N87 L109 N112 Q113 L114	I65-L89 HydrophobicContact CB-CD2 4.27Å; I65-L89 HydrophobicContact CG2-CD2 3.75Å; I65-L89 PolarHBondContact O-N 3.4Å; I65-L89 VanDerWaalsContact O-N 3.12Å; R66-L89 CarbonylContact O-C 2.99Å; R66-L89 WeakPolarHBondContact O-CA 3.22Å; I68-L89 HydrophobicContact CD1-CD1 4.02Å; I68-L89 HydrophobicContact CD1-CD2 4.5Å; I68-L89 HydrophobicContact CG1-CD1 4.2Å; I68-L89 HydrophobicContact CG1-CD2 3.77Å; L84-L89 HydrophobicContact CB-CD1 4.16Å; N87-L89 HydrophobicContact CB-CG 4.2Å; L89-L109 HydrophobicContact CD1-CD2 3.63Å; L89-N112 HydrophobicContact CB-CB 4.02Å; L89-N112 VanDerWaalsContact CB-OD1 3.28Å; L89-N112 WeakPolarHBondContact CB-OD1 3.34Å; L89-N112 WeakPolarHBondContact CG-OD1 3.45Å; L89-N112 PolarHBondContact N-OD1 3.47Å; L89-Q113 CarbonylContact O-C 3.56Å; L89-Q113 WeakPolarHBondContact O-CA 3.46Å; L89-Q113 PolarHBondContact O-N 3.01Å; L89-L114 HydrophobicContact CB-CD2 4.06Å; L89-L114 HydrophobicContact CB-CG 4.32Å; L89-L114 PolarHBondContact O-N 2.8Å
90	E	95.7	Very high	94.1	Very high	84 Å²	84	41.7 Å²	41.7	39%	0.393	21%	0.213	S	C	.	.			trans	-98.1	-33	177.9	-68.1	172.4	-155.6	0	0	111.1	R66 H67 L88 Q113	R66-E90 PolarHBondContact O-N 2.94Å; H67-E90 IonicContact CE1-OE2 3.98Å; L88-E90 PolarHBondContact O-N 2.87Å; L88-E90 VanDerWaalsContact O-N 3.15Å; E90-Q113 HydrophobicContact CG-CB 4.33Å
91	S	93.4	Very high	93.9	Very high	44 Å²	44	36.9 Å²	36.9	31%	0.308	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	157.4	179.8	67.4	0	0	0	0	113.1	H67 I68	H67-S91 WeakPolarHBondContact CA-O 3.39Å; H67-S91 PolarHBondContact ND1-OG 2.86Å; I68-S91 PolarHBondContact N-O 3.47Å
92	V	94.1	Very high	93.6	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.018	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	122.9	176.1	-179.8	0	0	0	0	107.5	I68 S96 F97 L114 L117 P118 T121	I68-V92 HydrophobicContact CB-CG1 4.18Å; I68-V92 HydrophobicContact CD1-CG1 4.22Å; I68-V92 HydrophobicContact CD1-CG2 3.91Å; I68-V92 HydrophobicContact CG1-CG2 4.26Å; V92-S96 VanDerWaalsContact CG1-OG 3.26Å; V92-S96 WeakPolarHBondContact CG1-OG 3.43Å; V92-F97 HydrophobicContact CG1-CE2 3.81Å; V92-F97 HydrophobicContact CG1-CZ 4.39Å; V92-L114 HydrophobicContact CG2-CD2 3.95Å; V92-L117 HydrophobicContact CB-CD2 4.29Å; V92-L117 HydrophobicContact CG2-CD2 4.27Å; V92-P118 WeakPolarHBondContact O-CG 3.32Å; V92-T121 HydrophobicContact CB-CG2 4.11Å; V92-T121 HydrophobicContact CG1-CG2 3.43Å; V92-T121 VanDerWaalsContact CG1-CG2 3.43Å
93	D	91.3	Very high	93.4	Very high	75 Å²	75	41.7 Å²	41.7	40%	0.401	23%	0.228	S	C	.	.			trans	-69.4	154.8	179	-79.7	-13.4	0	0	0	112	I68 P69 K70 S96	I68-D93 WeakPolarHBondContact O-CB 2.96Å; I68-D93 PolarHBondContact O-N 3.35Å; I68-D93 VanDerWaalsContact O-N 3.07Å; P69-D93 WeakPolarHBondContact CA-OD2 3.22Å; K70-D93 HydrophobicContact CB-CB 4.31Å; K70-D93 PolarHBondContact N-OD2 2.96Å; K70-D93 VanDerWaalsContact N-OD2 3.13Å; D93-S96 VanDerWaalsContact O-CB 3.28Å; D93-S96 WeakPolarHBondContact O-CB 3.46Å; D93-S96 PolarHBondContact O-N 3.49Å; D93-S96 PolarHBondContact O-OG 3.28Å
94	D	86.4	Confident	93.3	Very high	79 Å²	79	40.7 Å²	40.7	42%	0.422	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	144.5	167.3	-62.4	-34.5	0	0	0	110.7	S96 P118	D94-S96 PolarHBondContact O-N 3.39Å; D94-P118 WeakPolarHBondContact OD1-CB 3.21Å; D94-P118 VanDerWaalsContact OD1-CG 3.26Å; D94-P118 WeakPolarHBondContact OD1-CG 3.49Å
95	D	87.6	Confident	93.2	Very high	64 Å²	64	48.7 Å²	48.7	34%	0.342	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	13.1	179.9	-52.1	-40.9	0	0	0	115.4	K70 F97 L98	K70-D95 HydrophobicContact CD-CB 4.47Å; K70-D95 HydrophobicContact CG-CB 4.33Å; K70-D95 IonicContact NZ-OD2 3.58Å; K70-D95 PolarHBondContact NZ-OD2 2.75Å; D95-F97 PolarHBondContact O-N 3.41Å; D95-F97 VanDerWaalsContact O-N 3.15Å; D95-L98 HydrophobicContact CB-CB 4.18Å; D95-L98 HydrophobicContact CB-CD2 4.4Å; D95-L98 WeakPolarHBondContact O-CB 3.35Å; D95-L98 PolarHBondContact O-N 3.04Å; D95-L98 VanDerWaalsContact O-N 3.13Å
96	S	90.5	Very high	93.1	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-32	175.4	47.2	0	0	0	0	113.1	V92 D93 D94	V92-S96 VanDerWaalsContact CG1-OG 3.26Å; V92-S96 WeakPolarHBondContact CG1-OG 3.43Å; D93-S96 VanDerWaalsContact O-CB 3.28Å; D93-S96 WeakPolarHBondContact O-CB 3.46Å; D93-S96 PolarHBondContact O-N 3.49Å; D93-S96 PolarHBondContact O-OG 3.28Å; D94-S96 PolarHBondContact O-N 3.39Å
97	F	91.9	Very high	93	Very high	1 Å²	1	44.6 Å²	44.6	0%	0.004	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	8.6	-179.6	-56.3	-75.3	0	0	0	114.9	I68 F73 L82 V92 D95 G99 V100 L101 L104 L107 T121 F122	I68-F97 HydrophobicContact CD1-CZ 4.03Å; F73-F97 AromaticContact CD2-CD1 3.91Å; F73-F97 HydrophobicContact CD2-CD1 3.91Å; F73-F97 HydrophobicContact CD2-CE1 4.04Å; F73-F97 HydrophobicContact CE2-CD1 4.06Å; F73-F97 AromaticContact CE2-CE1 3.69Å; F73-F97 HydrophobicContact CE2-CE1 3.69Å; L82-F97 HydrophobicContact CD2-CE1 3.97Å; V92-F97 HydrophobicContact CG1-CE2 3.81Å; V92-F97 HydrophobicContact CG1-CZ 4.39Å; D95-F97 PolarHBondContact O-N 3.41Å; D95-F97 VanDerWaalsContact O-N 3.15Å; F97-G99 PolarHBondContact O-N 3.23Å; F97-G99 VanDerWaalsContact O-N 3.14Å; F97-V100 HydrophobicContact CB-CG2 4Å; F97-V100 HydrophobicContact CD1-CG2 4.17Å; F97-V100 WeakPolarHBondContact O-CG2 3.04Å; F97-V100 PolarHBondContact O-N 2.79Å; F97-L101 PolarHBondContact O-N 2.74Å; F97-L104 HydrophobicContact CD1-CD2 4.48Å; F97-L107 HydrophobicContact CD1-CD2 4.46Å; F97-L107 HydrophobicContact CE1-CD1 4.09Å; F97-L107 HydrophobicContact CE1-CD2 3.8Å; F97-L107 HydrophobicContact CE2-CD2 4.24Å; F97-L107 HydrophobicContact CZ-CD1 4.39Å; F97-L107 HydrophobicContact CZ-CD2 3.68Å; F97-T121 HydrophobicContact CD2-CG2 4.31Å; F97-T121 HydrophobicContact CE2-CG2 4.09Å; F97-F122 HydrophobicContact CD2-CD1 4.02Å; F97-F122 AromaticContact CD2-CE1 3.84Å; F97-F122 HydrophobicContact CD2-CE1 3.84Å; F97-F122 AromaticContact CE2-CD1 3.99Å; F97-F122 HydrophobicContact CE2-CD1 3.99Å; F97-F122 AromaticContact CE2-CE1 3.33Å; F97-F122 HydrophobicContact CE2-CE1 3.33Å; F97-F122 HydrophobicContact CE2-CZ 4.15Å; F97-F122 AromaticContact CZ-CE1 3.99Å; F97-F122 HydrophobicContact CZ-CE1 3.99Å
98	L	89.6	Confident	92.9	Very high	88 Å²	88	45.2 Å²	45.2	46%	0.461	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-55.1	-36.5	-174.3	-172.9	65.4	0	0	0	113.6	D95 V100 L101	D95-L98 HydrophobicContact CB-CB 4.18Å; D95-L98 HydrophobicContact CB-CD2 4.4Å; D95-L98 WeakPolarHBondContact O-CB 3.35Å; D95-L98 PolarHBondContact O-N 3.04Å; D95-L98 VanDerWaalsContact O-N 3.13Å; L98-V100 VanDerWaalsContact C-N 3.29Å; L98-V100 PolarHBondContact O-N 2.86Å; L98-L101 HydrophobicContact CD1-CD1 3.79Å; L98-L101 WeakPolarHBondContact O-CG 3.23Å
99	G	87.7	Confident	92.9	Very high	23 Å²	23	42.5 Å²	42.5	24%	0.237	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-76.4	-10	179.7	0	0	0	0	0	115.8	F97	F97-G99 PolarHBondContact O-N 3.23Å; F97-G99 VanDerWaalsContact O-N 3.14Å
100	V	93	Very high	92.8	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-125.3	12.4	-173	-59.5	0	0	0	0	113.3	F73 L76 L79 F97 L98 D102 S103 L104	F73-V100 HydrophobicContact CB-CG1 3.78Å; F73-V100 HydrophobicContact CB-CG2 4.36Å; L76-V100 HydrophobicContact CB-CG1 4.34Å; L76-V100 WeakPolarHBondContact O-CG1 3.44Å; L79-V100 HydrophobicContact CB-CG1 4.02Å; L79-V100 HydrophobicContact CD2-CG1 4.14Å; F97-V100 HydrophobicContact CB-CG2 4Å; F97-V100 HydrophobicContact CD1-CG2 4.17Å; F97-V100 WeakPolarHBondContact O-CG2 3.04Å; F97-V100 PolarHBondContact O-N 2.79Å; L98-V100 VanDerWaalsContact C-N 3.29Å; L98-V100 PolarHBondContact O-N 2.86Å; V100-D102 VanDerWaalsContact C-N 3.32Å; V100-D102 PolarHBondContact O-N 3.38Å; V100-S103 PolarHBondContact O-N 2.8Å; V100-S103 PolarHBondContact O-OG 3.03Å; V100-L104 HydrophobicContact CB-CB 4.18Å; V100-L104 HydrophobicContact CG2-CB 4.23Å; V100-L104 HydrophobicContact CG2-CD2 4.17Å; V100-L104 WeakPolarHBondContact O-CB 3.28Å; V100-L104 PolarHBondContact O-N 2.81Å
101	L	90.8	Very high	92.9	Very high	29 Å²	29	41.3 Å²	41.3	15%	0.152	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-42.1	-175.5	-65.7	176	0	0	0	113.7	F97 L98 K124 L125	F97-L101 PolarHBondContact O-N 2.74Å; L98-L101 HydrophobicContact CD1-CD1 3.79Å; L98-L101 WeakPolarHBondContact O-CG 3.23Å; L101-K124 HydrophobicContact CD1-CB 4.44Å; L101-L125 HydrophobicContact CD2-CB 4.21Å; L101-L125 HydrophobicContact CD2-CD1 4.17Å
102	D	90.2	Very high	93.1	Very high	164 Å²	164	39.7 Å²	39.7	88%	0.877	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-21.6	-175.5	-64.5	-39.4	0	0	0	113.7	V100	V100-D102 VanDerWaalsContact C-N 3.32Å; V100-D102 PolarHBondContact O-N 3.38Å
103	S	94.3	Very high	93.3	Very high	24 Å²	24	44 Å²	44	17%	0.168	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-34.1	-171.6	52.3	0	0	0	0	113.2	Q77 L79 V100 R105	Q77-S103 WeakPolarHBondContact O-CB 3.29Å; Q77-S103 PolarHBondContact O-OG 2.88Å; L79-S103 CarbonylContact O-C 3.53Å; L79-S103 VanDerWaalsContact O-CB 3.31Å; L79-S103 WeakPolarHBondContact O-CB 3.47Å; L79-S103 PolarHBondContact O-OG 3.22Å; V100-S103 PolarHBondContact O-N 2.8Å; V100-S103 PolarHBondContact O-OG 3.03Å; S103-R105 PolarHBondContact O-N 2.92Å
104	L	95.6	Very high	93.5	Very high	5 Å²	5	40.4 Å²	40.4	3%	0.026	21%	0.209	C	C	.	.			trans	-68.9	130.9	-176.5	-160.9	72.5	0	0	0	110.4	L79 L82 F97 V100 L107 L125 A127	L79-L104 HydrophobicContact CD2-CD1 3.98Å; L79-L104 HydrophobicContact CG-CD1 3.89Å; L79-L104 WeakPolarHBondContact O-CA 3.47Å; L79-L104 PolarHBondContact O-N 3.02Å; L79-L104 VanDerWaalsContact O-N 3.15Å; L82-L104 HydrophobicContact CB-CD1 3.92Å; F97-L104 HydrophobicContact CD1-CD2 4.48Å; V100-L104 HydrophobicContact CB-CB 4.18Å; V100-L104 HydrophobicContact CG2-CB 4.23Å; V100-L104 HydrophobicContact CG2-CD2 4.17Å; V100-L104 WeakPolarHBondContact O-CB 3.28Å; V100-L104 PolarHBondContact O-N 2.81Å; L104-L107 HydrophobicContact CD2-CB 4.04Å; L104-L125 HydrophobicContact CB-CD1 4.08Å; L104-L125 HydrophobicContact CD2-CD1 4.07Å; L104-L125 HydrophobicContact CD2-CD2 4.19Å; L104-A127 HydrophobicContact CB-CB 4.49Å; L104-A127 HydrophobicContact CD2-CB 4.38Å; L104-A127 HydrophobicContact CG-CB 4.31Å
105	R	95	Very high	93.9	Very high	167 Å²	167	39.7 Å²	39.7	63%	0.63	21%	0.21	S	C	*	.			trans	-115.3	-32.2	-178.7	-61.5	-166.8	175	-143.9	-3.7	112.6	R80 S103 A127 R128	R80-R105 WeakPolarHBondContact O-CA 3.39Å; R80-R105 PolarHBondContact O-N 3.25Å; S103-R105 PolarHBondContact O-N 2.92Å; R105-A127 CarbonylContact O-C 3.55Å; R105-A127 WeakPolarHBondContact O-CA 3.39Å; R105-R128 PolarHBondContact O-N 3.42Å
106	T	95.6	Very high	94	Very high	23 Å²	23	37.7 Å²	37.7	14%	0.141	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	130.4	-179	-46.8	0	0	0	0	109.3	R80 E81 L82 R128	R80-T106 PolarHBondContact O-N 3.32Å; E81-T106 WeakPolarHBondContact CA-O 3.25Å; L82-T106 PolarHBondContact N-O 3.43Å; T106-R128 WeakPolarHBondContact CA-O 3.45Å
107	L	96.1	Very high	94	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	120.5	174	174.3	59.2	0	0	0	109.1	L82 F97 L104 L109 F122 L125 R128 I129 R130	L82-L107 HydrophobicContact CB-CD1 3.98Å; L82-L107 HydrophobicContact CD2-CD1 3.74Å; L82-L107 HydrophobicContact CG-CD1 3.78Å; L82-L107 WeakPolarHBondContact O-CA 3.43Å; F97-L107 HydrophobicContact CD1-CD2 4.46Å; F97-L107 HydrophobicContact CE1-CD1 4.09Å; F97-L107 HydrophobicContact CE1-CD2 3.8Å; F97-L107 HydrophobicContact CE2-CD2 4.24Å; F97-L107 HydrophobicContact CZ-CD1 4.39Å; F97-L107 HydrophobicContact CZ-CD2 3.68Å; L104-L107 HydrophobicContact CD2-CB 4.04Å; L107-L109 HydrophobicContact CD1-CD2 4.36Å; L107-L109 HydrophobicContact CD1-CG 4.12Å; L107-L109 HydrophobicContact CD2-CD1 3.93Å; L107-L109 HydrophobicContact CD2-CG 4.33Å; L107-L109 HydrophobicContact CG-CD1 4.17Å; L107-L109 HydrophobicContact CG-CG 4.03Å; L107-F122 HydrophobicContact CD2-CD1 4.29Å; L107-F122 HydrophobicContact CD2-CE1 3.57Å; L107-F122 HydrophobicContact CD2-CZ 4.38Å; L107-L125 HydrophobicContact CD2-CD2 4.29Å; L107-R128 PolarHBondContact N-O 3.15Å; L107-I129 HydrophobicContact CB-CG1 4.28Å; L107-I129 HydrophobicContact CD2-CG2 4.34Å; L107-I129 HydrophobicContact CG-CG2 4.44Å; L107-I129 WeakPolarHBondContact O-CA 3.19Å; L107-R130 PolarHBondContact O-N 2.83Å
108	D	97.1	Very high	93.7	Very high	20 Å²	20	40 Å²	40	11%	0.107	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	112.7	175.6	-154.7	-35	0	0	0	110.6	L82 L84 S85 S110 R130	L82-D108 PolarHBondContact O-N 2.92Å; L84-D108 CarbonylContact C-O 3.58Å; L84-D108 WeakPolarHBondContact CA-O 3.42Å; L84-D108 PolarHBondContact N-O 3.26Å; S85-D108 PolarHBondContact N-O 2.83Å; D108-S110 WeakPolarHBondContact OD1-CB 3.5Å; D108-S110 PolarHBondContact OD1-N 2.9Å; D108-S110 PolarHBondContact OD1-OG 3.23Å; D108-R130 WeakPolarHBondContact OD2-CD 3.42Å; D108-R130 IonicContact OD2-NH1 3.49Å; D108-R130 PolarHBondContact OD2-NH1 3.3Å
109	L	96.6	Very high	93.3	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.225	C	C	.	.			trans	-116.8	16.9	173.6	-65.7	168.7	0	0	0	110.9	I68 L84 L89 L107 N112 L114 F122 R130 L131 N134	I68-L109 HydrophobicContact CD1-CD2 4.05Å; L84-L109 HydrophobicContact CB-CD2 3.89Å; L84-L109 HydrophobicContact CD1-CD2 4.01Å; L89-L109 HydrophobicContact CD1-CD2 3.63Å; L107-L109 HydrophobicContact CD1-CD2 4.36Å; L107-L109 HydrophobicContact CD1-CG 4.12Å; L107-L109 HydrophobicContact CD2-CD1 3.93Å; L107-L109 HydrophobicContact CD2-CG 4.33Å; L107-L109 HydrophobicContact CG-CD1 4.17Å; L107-L109 HydrophobicContact CG-CG 4.03Å; L109-N112 PolarHBondContact O-ND2 3.09Å; L109-L114 HydrophobicContact CB-CD1 4.26Å; L109-L114 HydrophobicContact CD1-CD1 4.39Å; L109-F122 HydrophobicContact CD1-CE1 4.22Å; L109-F122 HydrophobicContact CD1-CZ 3.7Å; L109-R130 CarbonylContact C-O 3.59Å; L109-R130 PolarHBondContact N-O 3.47Å; L109-L131 HydrophobicContact CB-CD2 4.05Å; L109-L131 HydrophobicContact CD1-CD2 4.05Å; L109-N134 PolarHBondContact O-ND2 3.35Å
110	S	96.9	Very high	92.8	Very high	10 Å²	10	43.5 Å²	43.5	7%	0.07	23%	0.229	C	C	.	.			trans	-63.8	155.3	-179	65.7	0	0	0	0	112.4	S85 H86 D108 N112 R130 S132	S85-S110 CarbonylContact C-O 3.2Å; S85-S110 WeakPolarHBondContact CA-O 3.34Å; S85-S110 WeakPolarHBondContact CB-OG 3.26Å; H86-S110 PolarHBondContact N-O 3.32Å; D108-S110 WeakPolarHBondContact OD1-CB 3.5Å; D108-S110 PolarHBondContact OD1-N 2.9Å; D108-S110 PolarHBondContact OD1-OG 3.23Å; S110-N112 PolarHBondContact O-N 3.18Å; S110-N112 PolarHBondContact O-ND2 3.4Å; S110-R130 PolarHBondContact N-O 3.33Å; S110-S132 CarbonylContact C-O 3.42Å; S110-S132 WeakPolarHBondContact CA-O 3.4Å; S110-S132 WeakPolarHBondContact CB-O 3.18Å; S110-S132 WeakPolarHBondContact CB-OG 3.45Å
111	N	97.1	Very high	92.3	Very high	48 Å²	48	43.7 Å²	43.7	26%	0.257	23%	0.231	S	C	.	.	S	Bend	trans	56.9	52.9	176.7	-54.7	-87.1	0	0	0	112.3	H86 N87 S132 N133	H86-N111 VanDerWaalsContact CA-O 3.22Å; H86-N111 WeakPolarHBondContact CA-O 3.44Å; H86-N111 PolarHBondContact N-O 2.93Å; H86-N111 WeakPolarHBondContact ND1-CB 3.44Å; N87-N111 PolarHBondContact N-O 2.02Å; N111-S132 PolarHBondContact N-O 3.33Å; N111-N133 VanDerWaalsContact CA-O 3.28Å; N111-N133 WeakPolarHBondContact CA-O 3.06Å; N111-N133 HydrophobicContact CB-CB 4.46Å; N111-N133 PolarHBondContact N-O 3.34Å; N111-N133 WeakPolarHBondContact OD1-CB 3.28Å; N111-N133 PolarHBondContact OD1-ND2 3.29Å
112	N	98.1	Very high	92	Very high	11 Å²	11	42.7 Å²	42.7	6%	0.059	23%	0.225	C	C	.	.	S	Bend	trans	-124.6	-167	176.1	-86.1	-73.9	0	0	0	109.9	L84 N87 L88 L89 L109 S110 L114 N133 N134	L84-N112 PolarHBondContact O-ND2 3.46Å; N87-N112 VanDerWaalsContact CA-OD1 3.22Å; N87-N112 WeakPolarHBondContact CA-OD1 3.28Å; N87-N112 WeakPolarHBondContact CB-OD1 3.09Å; N87-N112 PolarHBondContact N-OD1 2.93Å; N87-N112 PolarHBondContact O-OD1 3.4Å; L88-N112 PolarHBondContact N-OD1 3.22Å; L89-N112 HydrophobicContact CB-CB 4.02Å; L89-N112 VanDerWaalsContact CB-OD1 3.28Å; L89-N112 WeakPolarHBondContact CB-OD1 3.34Å; L89-N112 WeakPolarHBondContact CG-OD1 3.45Å; L89-N112 PolarHBondContact N-OD1 3.47Å; L109-N112 PolarHBondContact O-ND2 3.09Å; S110-N112 PolarHBondContact O-N 3.18Å; S110-N112 PolarHBondContact O-ND2 3.4Å; N112-L114 HydrophobicContact CB-CG 4.36Å; N112-N133 PolarHBondContact N-O 3.29Å; N112-N134 VanDerWaalsContact CA-OD1 3.23Å; N112-N134 WeakPolarHBondContact CA-OD1 3.5Å; N112-N134 WeakPolarHBondContact CB-OD1 3.24Å; N112-N134 PolarHBondContact N-OD1 3.06Å; N112-N134 PolarHBondContact O-OD1 3.05Å
113	Q	97.5	Very high	91.3	Very high	93 Å²	93	36.3 Å²	36.3	44%	0.435	20%	0.196	S	C	.	.			trans	-115.7	27.9	-179.1	-59.2	-169.9	7.5	0	0	112.3	L89 E90 S115 N134	L89-Q113 CarbonylContact O-C 3.56Å; L89-Q113 WeakPolarHBondContact O-CA 3.46Å; L89-Q113 PolarHBondContact O-N 3.01Å; E90-Q113 HydrophobicContact CG-CB 4.33Å; Q113-S115 PolarHBondContact O-N 3.06Å; Q113-N134 PolarHBondContact N-OD1 3.17Å
114	L	96	Very high	90.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.22	C	C	.	.			trans	-72.3	121.1	-177.9	-62.2	171.2	0	0	0	110	L89 V92 L109 N112 N134 P135 W136	L89-L114 HydrophobicContact CB-CD2 4.06Å; L89-L114 HydrophobicContact CB-CG 4.32Å; L89-L114 PolarHBondContact O-N 2.8Å; V92-L114 HydrophobicContact CG2-CD2 3.95Å; L109-L114 HydrophobicContact CB-CD1 4.26Å; L109-L114 HydrophobicContact CD1-CD1 4.39Å; N112-L114 HydrophobicContact CB-CG 4.36Å; L114-N134 HydrophobicContact CB-CB 4.33Å; L114-N134 WeakPolarHBondContact CB-OD1 3.48Å; L114-N134 PolarHBondContact N-OD1 3.19Å; L114-P135 CarbonylContact O-C 3.59Å; L114-P135 VanDerWaalsContact O-CD 3.32Å; L114-P135 WeakPolarHBondContact O-CD 3.24Å; L114-W136 HydrophobicContact CB-CH2 3.55Å; L114-W136 HydrophobicContact CB-CZ2 4.18Å; L114-W136 HydrophobicContact CB-CZ3 3.82Å; L114-W136 HydrophobicContact CD1-CH2 3.97Å; L114-W136 HydrophobicContact CG-CH2 4.41Å
115	S	94.1	Very high	90.3	Very high	63 Å²	63	43 Å²	43	44%	0.441	22%	0.222	S	C	.	.			trans	-98.8	-30.2	173.9	59.8	0	0	0	0	112.4	Q113 P135 H137	Q113-S115 PolarHBondContact O-N 3.06Å; S115-P135 WeakPolarHBondContact CA-O 3.09Å; S115-H137 WeakPolarHBondContact O-CB 3.44Å; S115-H137 PolarHBondContact O-N 3.43Å
116	G	91.4	Very high	89.9	Confident	22 Å²	22	41 Å²	41	23%	0.227	22%	0.219	C	C	.	.			trans	-153.2	167.3	178.8	0	0	0	0	0	111.2
117	L	90.6	Very high	89.7	Confident	3 Å²	3	40 Å²	40	2%	0.016	21%	0.213	C	C	.	.			trans	-132.7	131.1	178.1	-71.3	155.5	0	0	0	108.1	V92 T121 F122 L131 W136 L142 V145	V92-L117 HydrophobicContact CB-CD2 4.29Å; V92-L117 HydrophobicContact CG2-CD2 4.27Å; L117-T121 HydrophobicContact CD2-CG2 4.43Å; L117-F122 HydrophobicContact CD1-CD2 4.32Å; L117-F122 HydrophobicContact CD1-CE2 3.58Å; L117-F122 HydrophobicContact CD2-CE2 3.65Å; L117-F122 HydrophobicContact CD2-CZ 4.06Å; L117-F122 HydrophobicContact CG-CE2 4.12Å; L117-L131 HydrophobicContact CD1-CD1 4.32Å; L117-W136 HydrophobicContact CD1-CH2 3.53Å; L117-W136 HydrophobicContact CD1-CZ3 3.61Å; L117-W136 HydrophobicContact CG-CH2 4.01Å; L117-W136 HydrophobicContact CG-CZ3 3.82Å; L117-L142 HydrophobicContact CD1-CD1 4.23Å; L117-V145 HydrophobicContact CB-CG1 4.22Å; L117-V145 HydrophobicContact CB-CG2 4.48Å; L117-V145 HydrophobicContact CD1-CG1 4.23Å
118	P	84.4	Confident	89.6	Confident	47 Å²	47	46.7 Å²	46.7	31%	0.305	24%	0.238	S	C	.	.			trans	-65.6	158.3	177.1	22.1	-25.4	0	0	0	111.6	V92 D94 G120 T121 V145	V92-P118 WeakPolarHBondContact O-CG 3.32Å; D94-P118 WeakPolarHBondContact OD1-CB 3.21Å; D94-P118 VanDerWaalsContact OD1-CG 3.26Å; D94-P118 WeakPolarHBondContact OD1-CG 3.49Å; P118-G120 PolarHBondContact O-N 3.41Å; P118-T121 WeakPolarHBondContact CD-OG1 3.49Å; P118-T121 VanDerWaalsContact CG-OG1 3.24Å; P118-T121 WeakPolarHBondContact CG-OG1 3.44Å; P118-T121 PolarHBondContact O-N 3.41Å; P118-T121 PolarHBondContact O-OG1 2.69Å; P118-V145 WeakPolarHBondContact O-CG2 3.48Å
119	R	81	Confident	89.4	Confident	151 Å²	151	45.8 Å²	45.8	57%	0.57	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	122.3	-177.4	-70.1	179.3	-178.7	-153.8	-14.6	109	E144	R119-E144 VanDerWaalsContact CD-OE2 3.26Å; R119-E144 WeakPolarHBondContact CD-OE2 3.49Å; R119-E144 IonicContact CZ-OE1 2.81Å; R119-E144 VanDerWaalsContact CZ-OE1 3.25Å; R119-E144 IonicContact CZ-OE2 2.73Å; R119-E144 IonicContact NE-OE2 3.25Å; R119-E144 PolarHBondContact NE-OE2 3.34Å; R119-E144 IonicContact NH1-OE1 3.3Å; R119-E144 IonicContact NH1-OE2 2.65Å; R119-E144 PolarHBondContact NH1-OE2 2.61Å; R119-E144 IonicContact NH2-OE1 2.87Å; R119-E144 PolarHBondContact NH2-OE1 3.19Å; R119-E144 IonicContact NH2-OE2 2.82Å; R119-E144 PolarHBondContact NH2-OE2 3.48Å
120	G	77.7	Confident	89.3	Confident	33 Å²	33	49.3 Å²	49.3	34%	0.34	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.1	7.1	174.9	0	0	0	0	0	115.7	P118 F122 A123	P118-G120 PolarHBondContact O-N 3.41Å; G120-F122 PolarHBondContact O-N 3.33Å; G120-F122 VanDerWaalsContact O-N 3.12Å; G120-A123 VanDerWaalsContact CA-CB 3.5Å; G120-A123 WeakPolarHBondContact O-CB 3.3Å; G120-A123 PolarHBondContact O-N 2.96Å
121	T	81.4	Confident	89.2	Confident	4 Å²	4	48.9 Å²	48.9	3%	0.025	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.9	-39.5	169.1	-54.3	0	0	0	0	112.3	V92 F97 L117 P118	V92-T121 HydrophobicContact CB-CG2 4.11Å; V92-T121 HydrophobicContact CG1-CG2 3.43Å; V92-T121 VanDerWaalsContact CG1-CG2 3.43Å; F97-T121 HydrophobicContact CD2-CG2 4.31Å; F97-T121 HydrophobicContact CE2-CG2 4.09Å; L117-T121 HydrophobicContact CD2-CG2 4.43Å; P118-T121 WeakPolarHBondContact CD-OG1 3.49Å; P118-T121 VanDerWaalsContact CG-OG1 3.24Å; P118-T121 WeakPolarHBondContact CG-OG1 3.44Å; P118-T121 PolarHBondContact O-N 3.41Å; P118-T121 PolarHBondContact O-OG1 2.69Å
122	F	85.1	Confident	89.1	Confident	8 Å²	8	46.8 Å²	46.8	4%	0.035	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	9.6	179.3	-54.8	-63.2	0	0	0	112.8	F97 L107 L109 L117 G120 K124 L125 I129 V145 L149	F97-F122 HydrophobicContact CD2-CD1 4.02Å; F97-F122 AromaticContact CD2-CE1 3.84Å; F97-F122 HydrophobicContact CD2-CE1 3.84Å; F97-F122 AromaticContact CE2-CD1 3.99Å; F97-F122 HydrophobicContact CE2-CD1 3.99Å; F97-F122 AromaticContact CE2-CE1 3.33Å; F97-F122 HydrophobicContact CE2-CE1 3.33Å; F97-F122 HydrophobicContact CE2-CZ 4.15Å; F97-F122 AromaticContact CZ-CE1 3.99Å; F97-F122 HydrophobicContact CZ-CE1 3.99Å; L107-F122 HydrophobicContact CD2-CD1 4.29Å; L107-F122 HydrophobicContact CD2-CE1 3.57Å; L107-F122 HydrophobicContact CD2-CZ 4.38Å; L109-F122 HydrophobicContact CD1-CE1 4.22Å; L109-F122 HydrophobicContact CD1-CZ 3.7Å; L117-F122 HydrophobicContact CD1-CD2 4.32Å; L117-F122 HydrophobicContact CD1-CE2 3.58Å; L117-F122 HydrophobicContact CD2-CE2 3.65Å; L117-F122 HydrophobicContact CD2-CZ 4.06Å; L117-F122 HydrophobicContact CG-CE2 4.12Å; G120-F122 PolarHBondContact O-N 3.33Å; G120-F122 VanDerWaalsContact O-N 3.12Å; F122-K124 PolarHBondContact O-N 3.17Å; F122-L125 HydrophobicContact CB-CB 4.45Å; F122-L125 HydrophobicContact CD1-CD2 3.76Å; F122-L125 HydrophobicContact CE1-CD2 4.5Å; F122-L125 WeakPolarHBondContact O-CB 3.42Å; F122-L125 PolarHBondContact O-N 3.28Å; F122-I129 HydrophobicContact CB-CD1 4.19Å; F122-I129 HydrophobicContact CD1-CD1 3.93Å; F122-I129 HydrophobicContact CE1-CD1 4.46Å; F122-I129 HydrophobicContact CG-CD1 3.99Å; F122-V145 HydrophobicContact CD2-CG1 3.99Å; F122-L149 HydrophobicContact CB-CD1 3.88Å; F122-L149 HydrophobicContact CB-CD2 4.44Å; F122-L149 HydrophobicContact CB-CG 4.1Å; F122-L149 HydrophobicContact CD2-CD1 3.92Å; F122-L149 HydrophobicContact CD2-CD2 3.75Å; F122-L149 HydrophobicContact CD2-CG 4.22Å; F122-L149 HydrophobicContact CE2-CD2 4.23Å; F122-L149 HydrophobicContact CG-CD1 4.28Å; F122-L149 HydrophobicContact CG-CD2 4.18Å; F122-L149 HydrophobicContact CG-CG 4.37Å
123	A	76	Confident	88.9	Confident	31 Å²	31	50.2 Å²	50.2	26%	0.256	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	131.3	176.8	0	0	0	0	0	108.6	G120 L125	G120-A123 VanDerWaalsContact CA-CB 3.5Å; G120-A123 WeakPolarHBondContact O-CB 3.3Å; G120-A123 PolarHBondContact O-N 2.96Å; A123-L125 PolarHBondContact O-N 3.37Å
124	K	82.1	Confident	88.9	Confident	159 Å²	159	46.3 Å²	46.3	69%	0.691	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.1	-0.7	-176.9	-45.6	167.4	-176.6	171.9	0	115.4	L101 F122 H126	L101-K124 HydrophobicContact CD1-CB 4.44Å; F122-K124 PolarHBondContact O-N 3.17Å; K124-H126 PolarHBondContact O-N 3.12Å
125	L	86.9	Confident	88.9	Confident	11 Å²	11	48.5 Å²	48.5	6%	0.058	25%	0.247	C	C	.	.			trans	-79.1	116.3	175.2	-170.8	66.7	0	0	0	109.8	L101 L104 L107 F122 A123 A127 I129	L101-L125 HydrophobicContact CD2-CB 4.21Å; L101-L125 HydrophobicContact CD2-CD1 4.17Å; L104-L125 HydrophobicContact CB-CD1 4.08Å; L104-L125 HydrophobicContact CD2-CD1 4.07Å; L104-L125 HydrophobicContact CD2-CD2 4.19Å; L107-L125 HydrophobicContact CD2-CD2 4.29Å; F122-L125 HydrophobicContact CB-CB 4.45Å; F122-L125 HydrophobicContact CD1-CD2 3.76Å; F122-L125 HydrophobicContact CE1-CD2 4.5Å; F122-L125 WeakPolarHBondContact O-CB 3.42Å; F122-L125 PolarHBondContact O-N 3.28Å; A123-L125 PolarHBondContact O-N 3.37Å; L125-A127 VanDerWaalsContact C-N 3.31Å; L125-A127 HydrophobicContact CD1-CB 4.39Å; L125-A127 HydrophobicContact CD2-CB 4.21Å; L125-A127 HydrophobicContact CG-CB 3.95Å; L125-A127 PolarHBondContact O-N 2.98Å; L125-I129 HydrophobicContact CD2-CD1 4.11Å
126	H	87	Confident	88.9	Confident	124 Å²	124	45.6 Å²	45.6	57%	0.574	23%	0.227	S	C	*	.			trans	-95.5	36.8	-179.9	-65.6	-55.8	0	0	0	113.3	K124	K124-H126 PolarHBondContact O-N 3.12Å
127	A	90.8	Very high	89	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.008	23%	0.229	C	C	.	.	S	Bend	trans	-97.7	155.3	179.9	0	0	0	0	0	112.1	L104 R105 L125 I129	L104-A127 HydrophobicContact CB-CB 4.49Å; L104-A127 HydrophobicContact CD2-CB 4.38Å; L104-A127 HydrophobicContact CG-CB 4.31Å; R105-A127 CarbonylContact O-C 3.55Å; R105-A127 WeakPolarHBondContact O-CA 3.39Å; L125-A127 VanDerWaalsContact C-N 3.31Å; L125-A127 HydrophobicContact CD1-CB 4.39Å; L125-A127 HydrophobicContact CD2-CB 4.21Å; L125-A127 HydrophobicContact CG-CB 3.95Å; L125-A127 PolarHBondContact O-N 2.98Å; A127-I129 HydrophobicContact CB-CG1 4.45Å
128	R	93.1	Very high	89	Confident	141 Å²	141	47.4 Å²	47.4	53%	0.532	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	124.4	161.7	-75	-173.4	-72.7	176.2	-2.6	108.6	R105 T106 L107 R150	R105-R128 PolarHBondContact O-N 3.42Å; T106-R128 WeakPolarHBondContact CA-O 3.45Å; L107-R128 PolarHBondContact N-O 3.15Å; R128-R150 WeakPolarHBondContact CA-O 3.17Å
129	I	93.3	Very high	89.3	Confident	2 Å²	2	48.2 Å²	48.2	1%	0.01	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	130.3	-173.7	-54.8	166.4	0	0	0	109.2	L107 F122 L125 A127 L131 L149 R150 D152	L107-I129 HydrophobicContact CB-CG1 4.28Å; L107-I129 HydrophobicContact CD2-CG2 4.34Å; L107-I129 HydrophobicContact CG-CG2 4.44Å; L107-I129 WeakPolarHBondContact O-CA 3.19Å; F122-I129 HydrophobicContact CB-CD1 4.19Å; F122-I129 HydrophobicContact CD1-CD1 3.93Å; F122-I129 HydrophobicContact CE1-CD1 4.46Å; F122-I129 HydrophobicContact CG-CD1 3.99Å; L125-I129 HydrophobicContact CD2-CD1 4.11Å; A127-I129 HydrophobicContact CB-CG1 4.45Å; I129-L131 HydrophobicContact CG2-CD1 4.5Å; I129-L131 HydrophobicContact CG2-CD2 3.76Å; I129-L131 HydrophobicContact CG2-CG 3.87Å; I129-L149 HydrophobicContact CB-CD2 4.16Å; I129-L149 HydrophobicContact CD1-CD2 3.46Å; I129-L149 VanDerWaalsContact CD1-CD2 3.46Å; I129-L149 HydrophobicContact CD1-CG 3.73Å; I129-L149 HydrophobicContact CG1-CD2 4.41Å; I129-L149 HydrophobicContact CG2-CD2 4.16Å; I129-R150 PolarHBondContact N-O 3.02Å; I129-R150 VanDerWaalsContact N-O 3.09Å; I129-D152 PolarHBondContact O-N 3.43Å
130	R	95.3	Very high	89.6	Confident	73 Å²	73	41.8 Å²	41.8	28%	0.275	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	123.1	173.2	-64.6	173.7	-178.8	163.1	-3.3	109.6	L107 D108 L109 S110 D152 T155	L107-R130 PolarHBondContact O-N 2.83Å; D108-R130 WeakPolarHBondContact OD2-CD 3.42Å; D108-R130 IonicContact OD2-NH1 3.49Å; D108-R130 PolarHBondContact OD2-NH1 3.3Å; L109-R130 CarbonylContact C-O 3.59Å; L109-R130 PolarHBondContact N-O 3.47Å; S110-R130 PolarHBondContact N-O 3.33Å; R130-D152 HydrophobicContact CG-CB 3.82Å; R130-D152 IonicContact CZ-OD2 3.92Å; R130-D152 IonicContact NE-OD2 3.2Å; R130-D152 PolarHBondContact NE-OD2 3.45Å; R130-D152 IonicContact NH2-OD2 2.73Å; R130-D152 PolarHBondContact NH2-OD2 3.33Å; R130-T155 HydrophobicContact CG-CG2 4.22Å
131	L	94.6	Very high	90.1	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	20%	0.199	C	C	.	.			trans	-124.5	9.3	-174.7	-67.8	-175	0	0	0	112.4	L109 L117 I129 N134 W136 L146 L149 L151 V159	L109-L131 HydrophobicContact CB-CD2 4.05Å; L109-L131 HydrophobicContact CD1-CD2 4.05Å; L117-L131 HydrophobicContact CD1-CD1 4.32Å; I129-L131 HydrophobicContact CG2-CD1 4.5Å; I129-L131 HydrophobicContact CG2-CD2 3.76Å; I129-L131 HydrophobicContact CG2-CG 3.87Å; L131-N134 PolarHBondContact O-ND2 2.9Å; L131-W136 HydrophobicContact CB-CZ2 3.68Å; L131-W136 HydrophobicContact CD1-CH2 4.35Å; L131-W136 HydrophobicContact CD1-CZ2 4.06Å; L131-W136 HydrophobicContact CD2-CH2 4.17Å; L131-W136 HydrophobicContact CD2-CZ2 3.91Å; L131-W136 HydrophobicContact CG-CZ2 4.08Å; L131-W136 PolarHBondContact O-NE1 3.39Å; L131-L146 HydrophobicContact CD1-CD2 3.88Å; L131-L149 HydrophobicContact CD1-CD2 3.92Å; L131-L151 HydrophobicContact CD1-CD2 3.89Å; L131-L151 HydrophobicContact CG-CD2 4.26Å; L131-V159 HydrophobicContact CB-CG2 4.15Å
132	S	94.8	Very high	90.4	Very high	4 Å²	4	41.2 Å²	41.2	3%	0.028	20%	0.198	C	C	.	.			trans	-61.8	156.7	-175.7	57.3	0	0	0	0	112.4	S110 N111 N134 E158	S110-S132 CarbonylContact C-O 3.42Å; S110-S132 WeakPolarHBondContact CA-O 3.4Å; S110-S132 WeakPolarHBondContact CB-O 3.18Å; S110-S132 WeakPolarHBondContact CB-OG 3.45Å; N111-S132 PolarHBondContact N-O 3.33Å; S132-N134 PolarHBondContact O-N 3.06Å; S132-N134 PolarHBondContact O-ND2 2.98Å; S132-N134 VanDerWaalsContact O-ND2 3.15Å; S132-E158 VanDerWaalsContact CB-CB 3.49Å; S132-E158 VanDerWaalsContact CB-OE2 3.29Å; S132-E158 WeakPolarHBondContact CB-OE2 3.23Å; S132-E158 PolarHBondContact OG-OE2 3.25Å
133	N	95	Very high	90.6	Very high	84 Å²	84	41.1 Å²	41.1	45%	0.449	20%	0.198	S	C	.	.	S	Bend	trans	54.3	50.4	177	-55.6	-31.6	0	0	0	113.4	N111 N112	N111-N133 VanDerWaalsContact CA-O 3.28Å; N111-N133 WeakPolarHBondContact CA-O 3.06Å; N111-N133 HydrophobicContact CB-CB 4.46Å; N111-N133 PolarHBondContact N-O 3.34Å; N111-N133 WeakPolarHBondContact OD1-CB 3.28Å; N111-N133 PolarHBondContact OD1-ND2 3.29Å; N112-N133 PolarHBondContact N-O 3.29Å
134	N	96.3	Very high	91.1	Very high	11 Å²	11	42.4 Å²	42.4	6%	0.059	20%	0.198	C	C	.	.			trans	-126.7	146.7	170.7	-83.4	-84.6	0	0	0	109.2	L109 N112 Q113 L114 L131 S132 W136	L109-N134 PolarHBondContact O-ND2 3.35Å; N112-N134 VanDerWaalsContact CA-OD1 3.23Å; N112-N134 WeakPolarHBondContact CA-OD1 3.5Å; N112-N134 WeakPolarHBondContact CB-OD1 3.24Å; N112-N134 PolarHBondContact N-OD1 3.06Å; N112-N134 PolarHBondContact O-OD1 3.05Å; Q113-N134 PolarHBondContact N-OD1 3.17Å; L114-N134 HydrophobicContact CB-CB 4.33Å; L114-N134 WeakPolarHBondContact CB-OD1 3.48Å; L114-N134 PolarHBondContact N-OD1 3.19Å; L131-N134 PolarHBondContact O-ND2 2.9Å; S132-N134 PolarHBondContact O-N 3.06Å; S132-N134 PolarHBondContact O-ND2 2.98Å; S132-N134 VanDerWaalsContact O-ND2 3.15Å; N134-W136 HydrophobicContact CB-CD2 4.2Å; N134-W136 VanDerWaalsContact CB-CE2 3.5Å; N134-W136 HydrophobicContact CB-CG 4.47Å; N134-W136 HydrophobicContact CB-CZ2 3.67Å; N134-W136 PolarHBondContact O-N 3.2Å
135	P	95.9	Very high	91.4	Very high	45 Å²	45	35.2 Å²	35.2	29%	0.292	17%	0.168	S	C	.	.			trans	-77.2	60.1	-177.7	34.1	-37.9	0	0	0	112.6	L114 S115 H137 H162	L114-P135 CarbonylContact O-C 3.59Å; L114-P135 VanDerWaalsContact O-CD 3.32Å; L114-P135 WeakPolarHBondContact O-CD 3.24Å; S115-P135 WeakPolarHBondContact CA-O 3.09Å; P135-H137 PolarHBondContact O-N 3Å; P135-H162 HydrophobicContact CB-CB 4.23Å
136	W	94.8	Very high	91.5	Very high	2 Å²	2	35 Å²	35	1%	0.008	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	129.7	-173.9	-65.7	113.3	0	0	0	113.2	L114 L117 L131 N134 L142 H162 T163	L114-W136 HydrophobicContact CB-CH2 3.55Å; L114-W136 HydrophobicContact CB-CZ2 4.18Å; L114-W136 HydrophobicContact CB-CZ3 3.82Å; L114-W136 HydrophobicContact CD1-CH2 3.97Å; L114-W136 HydrophobicContact CG-CH2 4.41Å; L117-W136 HydrophobicContact CD1-CH2 3.53Å; L117-W136 HydrophobicContact CD1-CZ3 3.61Å; L117-W136 HydrophobicContact CG-CH2 4.01Å; L117-W136 HydrophobicContact CG-CZ3 3.82Å; L131-W136 HydrophobicContact CB-CZ2 3.68Å; L131-W136 HydrophobicContact CD1-CH2 4.35Å; L131-W136 HydrophobicContact CD1-CZ2 4.06Å; L131-W136 HydrophobicContact CD2-CH2 4.17Å; L131-W136 HydrophobicContact CD2-CZ2 3.91Å; L131-W136 HydrophobicContact CG-CZ2 4.08Å; L131-W136 PolarHBondContact O-NE1 3.39Å; N134-W136 HydrophobicContact CB-CD2 4.2Å; N134-W136 VanDerWaalsContact CB-CE2 3.5Å; N134-W136 HydrophobicContact CB-CG 4.47Å; N134-W136 HydrophobicContact CB-CZ2 3.67Å; N134-W136 PolarHBondContact O-N 3.2Å; W136-L142 HydrophobicContact CB-CD2 3.99Å; W136-L142 HydrophobicContact CD2-CD1 4.49Å; W136-L142 HydrophobicContact CD2-CD2 4.35Å; W136-L142 HydrophobicContact CE3-CD1 3.73Å; W136-L142 HydrophobicContact CE3-CD2 4.01Å; W136-L142 HydrophobicContact CG-CD2 4.38Å; W136-L142 HydrophobicContact CZ3-CD1 3.95Å; W136-H162 PolarHBondContact O-N 2.89Å; W136-T163 PolarHBondContact O-N 3.37Å
137	H	92.8	Very high	91.3	Very high	59 Å²	59	36.1 Å²	36.1	27%	0.273	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	104.8	168	-174.3	68	0	0	0	109	S115 P135 E139 L142 T163	S115-H137 WeakPolarHBondContact O-CB 3.44Å; S115-H137 PolarHBondContact O-N 3.43Å; P135-H137 PolarHBondContact O-N 3Å; H137-E139 PolarHBondContact O-N 3.49Å; H137-L142 WeakPolarHBondContact O-CD2 3.44Å; H137-T163 CarbonylContact C-O 3.49Å; H137-T163 WeakPolarHBondContact CA-O 3.33Å; H137-T163 WeakPolarHBondContact CA-OG1 3.42Å; H137-T163 WeakPolarHBondContact CB-OG1 3Å; H137-T163 WeakPolarHBondContact ND1-CB 3.43Å; H137-T163 PolarHBondContact ND1-OG1 3.18Å
138	C	91.4	Very high	91	Very high	4 Å²	4	42.3 Å²	42.3	3%	0.027	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	104.8	-178.7	-71.8	0	0	0	0	111.1	C161 T163 S164 V165 F184	C138-C161 HydrophobicContact CB-CB 3.75Å; C138-C161 WeakPolarHBondContact CB-SG 3.01Å; C138-C161 VanDerWaalsContact SG-CA 3.53Å; C138-C161 WeakPolarHBondContact SG-CB 3.47Å; C138-C161 CovalentContact SG-SG 2.02Å; C138-C161 PolarHBondContact SG-SG 2.99Å; C138-T163 PolarHBondContact N-O 2.78Å; C138-S164 WeakPolarHBondContact O-CA 3.09Å; C138-V165 PolarHBondContact O-N 3.29Å; C138-F184 HydrophobicContact CB-CE2 4.42Å; C138-F184 HydrophobicContact CB-CZ 4.46Å
139	E	89.6	Confident	90.6	Very high	65 Å²	65	36.6 Å²	36.6	30%	0.304	18%	0.175	S	C	.	.	S	Bend	trans	-139.7	-172.8	175.3	65.5	164.9	178	0	0	110.9	H137 S141 Q143 V165	H137-E139 PolarHBondContact O-N 3.49Å; E139-S141 VanDerWaalsContact CD-OG 3.24Å; E139-S141 VanDerWaalsContact CG-OG 3.26Å; E139-S141 WeakPolarHBondContact CG-OG 3.04Å; E139-S141 PolarHBondContact O-N 3.32Å; E139-S141 PolarHBondContact OE1-OG 3.06Å; E139-Q143 WeakPolarHBondContact O-CB 3.46Å; E139-Q143 PolarHBondContact O-N 2.98Å; E139-Q143 VanDerWaalsContact O-N 3.11Å; E139-V165 HydrophobicContact CB-CG2 3.73Å
140	C	87.3	Confident	90.3	Very high	16 Å²	16	44.1 Å²	44.1	11%	0.108	20%	0.203	C	C	.	.	H	α-helix	trans	-59.8	-41	-179.8	173	0	0	0	0	113.4	Q143 E144 F184 C185	C140-Q143 PolarHBondContact O-N 2.64Å; C140-E144 PolarHBondContact O-N 3.28Å; C140-E144 VanDerWaalsContact O-N 3.13Å; C140-F184 HydrophobicContact CB-CB 4.35Å; C140-C185 HydrophobicContact CB-CB 3.92Å; C140-C185 WeakPolarHBondContact CB-SG 3.33Å; C140-C185 WeakPolarHBondContact SG-CA 3.36Å; C140-C185 WeakPolarHBondContact SG-CB 2.87Å; C140-C185 CovalentContact SG-SG 2.04Å; C140-C185 PolarHBondContact SG-SG 3.43Å
141	S	87.7	Confident	89.9	Confident	23 Å²	23	42.2 Å²	42.2	16%	0.161	20%	0.198	C	C	.	.	H	α-helix	trans	-60.5	-50.8	-178.5	66	0	0	0	0	111.6	E139 Q143 E144 V145	E139-S141 VanDerWaalsContact CD-OG 3.24Å; E139-S141 VanDerWaalsContact CG-OG 3.26Å; E139-S141 WeakPolarHBondContact CG-OG 3.04Å; E139-S141 PolarHBondContact O-N 3.32Å; E139-S141 PolarHBondContact OE1-OG 3.06Å; S141-Q143 VanDerWaalsContact C-N 3.35Å; S141-Q143 PolarHBondContact O-N 3.15Å; S141-E144 PolarHBondContact O-N 2.94Å; S141-V145 WeakPolarHBondContact O-CG2 3.4Å; S141-V145 PolarHBondContact O-N 2.95Å
142	L	89.6	Confident	89.6	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.01	20%	0.199	C	C	.	.	H	α-helix	trans	-64.6	-40.1	179.5	-174	64.8	0	0	0	111.4	L117 W136 H137 E144 V145 L146	L117-L142 HydrophobicContact CD1-CD1 4.23Å; W136-L142 HydrophobicContact CB-CD2 3.99Å; W136-L142 HydrophobicContact CD2-CD1 4.49Å; W136-L142 HydrophobicContact CD2-CD2 4.35Å; W136-L142 HydrophobicContact CE3-CD1 3.73Å; W136-L142 HydrophobicContact CE3-CD2 4.01Å; W136-L142 HydrophobicContact CG-CD2 4.38Å; W136-L142 HydrophobicContact CZ3-CD1 3.95Å; H137-L142 WeakPolarHBondContact O-CD2 3.44Å; L142-E144 VanDerWaalsContact C-N 3.35Å; L142-E144 PolarHBondContact O-N 3Å; L142-V145 PolarHBondContact O-N 3.48Å; L142-L146 HydrophobicContact CD1-CD1 4.06Å; L142-L146 HydrophobicContact CD1-CG 4.09Å; L142-L146 HydrophobicContact CD2-CD1 4.26Å; L142-L146 HydrophobicContact CG-CD1 3.74Å; L142-L146 HydrophobicContact CG-CG 4.17Å; L142-L146 WeakPolarHBondContact O-CB 3.47Å; L142-L146 VanDerWaalsContact O-CG 3.26Å; L142-L146 WeakPolarHBondContact O-CG 3.12Å; L142-L146 PolarHBondContact O-N 3.21Å
143	Q	88	Confident	89.1	Confident	5 Å²	5	46.8 Å²	46.8	2%	0.023	23%	0.227	C	C	.	.	H	α-helix	trans	-59.9	-42.5	177.6	177.2	170.2	22	0	0	112.7	E139 C140 S141 R147 L178 I182 F184	E139-Q143 WeakPolarHBondContact O-CB 3.46Å; E139-Q143 PolarHBondContact O-N 2.98Å; E139-Q143 VanDerWaalsContact O-N 3.11Å; C140-Q143 PolarHBondContact O-N 2.64Å; S141-Q143 VanDerWaalsContact C-N 3.35Å; S141-Q143 PolarHBondContact O-N 3.15Å; Q143-R147 WeakPolarHBondContact O-CG 3.37Å; Q143-R147 PolarHBondContact O-N 3.46Å; Q143-L178 HydrophobicContact CG-CD2 3.85Å; Q143-I182 PolarHBondContact NE2-O 2.94Å; Q143-F184 HydrophobicContact CB-CD2 4.16Å; Q143-F184 VanDerWaalsContact OE1-CD2 3.26Å
144	E	87	Confident	88.7	Confident	58 Å²	58	50.2 Å²	50.2	27%	0.271	24%	0.241	S	C	.	.	H	α-helix	trans	-65	-45.6	177.3	-74.6	-179.5	-176	0	0	111.6	R119 C140 S141 L142 R147	R119-E144 VanDerWaalsContact CD-OE2 3.26Å; R119-E144 WeakPolarHBondContact CD-OE2 3.49Å; R119-E144 IonicContact CZ-OE1 2.81Å; R119-E144 VanDerWaalsContact CZ-OE1 3.25Å; R119-E144 IonicContact CZ-OE2 2.73Å; R119-E144 IonicContact NE-OE2 3.25Å; R119-E144 PolarHBondContact NE-OE2 3.34Å; R119-E144 IonicContact NH1-OE1 3.3Å; R119-E144 IonicContact NH1-OE2 2.65Å; R119-E144 PolarHBondContact NH1-OE2 2.61Å; R119-E144 IonicContact NH2-OE1 2.87Å; R119-E144 PolarHBondContact NH2-OE1 3.19Å; R119-E144 IonicContact NH2-OE2 2.82Å; R119-E144 PolarHBondContact NH2-OE2 3.48Å; C140-E144 PolarHBondContact O-N 3.28Å; C140-E144 VanDerWaalsContact O-N 3.13Å; S141-E144 PolarHBondContact O-N 2.94Å; L142-E144 VanDerWaalsContact C-N 3.35Å; L142-E144 PolarHBondContact O-N 3Å; E144-R147 PolarHBondContact O-N 3.39Å
145	V	88.8	Confident	88.4	Confident	8 Å²	8	50.7 Å²	50.7	5%	0.048	24%	0.244	C	C	.	.	H	α-helix	trans	-57.9	-55	177.7	173.4	0	0	0	0	109.4	L117 P118 F122 S141 L142 R147 E148 L149	L117-V145 HydrophobicContact CB-CG1 4.22Å; L117-V145 HydrophobicContact CB-CG2 4.48Å; L117-V145 HydrophobicContact CD1-CG1 4.23Å; P118-V145 WeakPolarHBondContact O-CG2 3.48Å; F122-V145 HydrophobicContact CD2-CG1 3.99Å; S141-V145 WeakPolarHBondContact O-CG2 3.4Å; S141-V145 PolarHBondContact O-N 2.95Å; L142-V145 PolarHBondContact O-N 3.48Å; V145-R147 PolarHBondContact O-N 2.82Å; V145-R147 VanDerWaalsContact O-N 3.1Å; V145-E148 PolarHBondContact O-N 3.15Å; V145-L149 VanDerWaalsContact C-CD1 3.44Å; V145-L149 HydrophobicContact CB-CD1 4.35Å; V145-L149 HydrophobicContact CG1-CD1 3.33Å; V145-L149 WeakPolarHBondContact O-CD1 3.13Å; V145-L149 PolarHBondContact O-N 3.35Å
146	L	87.5	Confident	88	Confident	8 Å²	8	49.5 Å²	49.5	4%	0.042	24%	0.236	C	C	.	.	H	α-helix	trans	-63.7	-21.6	-174.6	-65.8	175.7	0	0	0	115	L131 L142 E148 L151 V174 L178	L131-L146 HydrophobicContact CD1-CD2 3.88Å; L142-L146 HydrophobicContact CD1-CD1 4.06Å; L142-L146 HydrophobicContact CD1-CG 4.09Å; L142-L146 HydrophobicContact CD2-CD1 4.26Å; L142-L146 HydrophobicContact CG-CD1 3.74Å; L142-L146 HydrophobicContact CG-CG 4.17Å; L142-L146 WeakPolarHBondContact O-CB 3.47Å; L142-L146 VanDerWaalsContact O-CG 3.26Å; L142-L146 WeakPolarHBondContact O-CG 3.12Å; L142-L146 PolarHBondContact O-N 3.21Å; L146-E148 VanDerWaalsContact C-N 3.28Å; L146-E148 PolarHBondContact O-N 3.11Å; L146-L151 HydrophobicContact CD2-CD1 4.26Å; L146-L151 HydrophobicContact CD2-CD2 4.23Å; L146-V174 HydrophobicContact CD1-CB 4.18Å; L146-V174 HydrophobicContact CD1-CG1 3.23Å; L146-L178 HydrophobicContact CB-CD1 3.94Å
147	R	84.4	Confident	87.6	Confident	146 Å²	146	54.9 Å²	54.9	55%	0.551	27%	0.265	S	S	*	.	H	α-helix	trans	-68.1	-28	172.3	-80.4	179	174	152.6	1.1	113.2	Q143 E144 V145 L178	Q143-R147 WeakPolarHBondContact O-CG 3.37Å; Q143-R147 PolarHBondContact O-N 3.46Å; E144-R147 PolarHBondContact O-N 3.39Å; V145-R147 PolarHBondContact O-N 2.82Å; V145-R147 VanDerWaalsContact O-N 3.1Å; R147-L178 HydrophobicContact CG-CD2 4.37Å
148	E	83.8	Confident	87.5	Confident	131 Å²	131	56.8 Å²	56.8	61%	0.612	27%	0.274	S	S	*	.	H	α-helix	trans	-91.7	-20.2	-179	-62.3	-172.6	-177.8	0	0	112.6	V145 L146	V145-E148 PolarHBondContact O-N 3.15Å; L146-E148 VanDerWaalsContact C-N 3.28Å; L146-E148 PolarHBondContact O-N 3.11Å
149	L	85.6	Confident	87.5	Confident	21 Å²	21	56.7 Å²	56.7	11%	0.11	27%	0.273	C	S	.	.			trans	-77.6	146.1	-176.4	-85.8	81.9	0	0	0	113.2	F122 I129 L131 V145 L151	F122-L149 HydrophobicContact CB-CD1 3.88Å; F122-L149 HydrophobicContact CB-CD2 4.44Å; F122-L149 HydrophobicContact CB-CG 4.1Å; F122-L149 HydrophobicContact CD2-CD1 3.92Å; F122-L149 HydrophobicContact CD2-CD2 3.75Å; F122-L149 HydrophobicContact CD2-CG 4.22Å; F122-L149 HydrophobicContact CE2-CD2 4.23Å; F122-L149 HydrophobicContact CG-CD1 4.28Å; F122-L149 HydrophobicContact CG-CD2 4.18Å; F122-L149 HydrophobicContact CG-CG 4.37Å; I129-L149 HydrophobicContact CB-CD2 4.16Å; I129-L149 HydrophobicContact CD1-CD2 3.46Å; I129-L149 VanDerWaalsContact CD1-CD2 3.46Å; I129-L149 HydrophobicContact CD1-CG 3.73Å; I129-L149 HydrophobicContact CG1-CD2 4.41Å; I129-L149 HydrophobicContact CG2-CD2 4.16Å; L131-L149 HydrophobicContact CD1-CD2 3.92Å; V145-L149 VanDerWaalsContact C-CD1 3.44Å; V145-L149 HydrophobicContact CB-CD1 4.35Å; V145-L149 HydrophobicContact CG1-CD1 3.33Å; V145-L149 WeakPolarHBondContact O-CD1 3.13Å; V145-L149 PolarHBondContact O-N 3.35Å; L149-L151 HydrophobicContact CB-CD2 4.31Å; L149-L151 HydrophobicContact CB-CG 4.44Å; L149-L151 HydrophobicContact CD2-CD2 4.23Å; L149-L151 PolarHBondContact O-N 3.41Å
150	R	86.9	Confident	87.7	Confident	160 Å²	160	55.8 Å²	55.8	60%	0.604	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.5	86.5	163.7	-66.6	-178.5	177	172.8	-0.6	109.5	R128 I129	R128-R150 WeakPolarHBondContact CA-O 3.17Å; I129-R150 PolarHBondContact N-O 3.02Å; I129-R150 VanDerWaalsContact N-O 3.09Å
151	L	87.1	Confident	88	Confident	34 Å²	34	55 Å²	55	18%	0.178	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	144.2	174.8	-61.2	174.4	0	0	0	110.6	L131 L146 L149 V156	L131-L151 HydrophobicContact CD1-CD2 3.89Å; L131-L151 HydrophobicContact CG-CD2 4.26Å; L146-L151 HydrophobicContact CD2-CD1 4.26Å; L146-L151 HydrophobicContact CD2-CD2 4.23Å; L149-L151 HydrophobicContact CB-CD2 4.31Å; L149-L151 HydrophobicContact CB-CG 4.44Å; L149-L151 HydrophobicContact CD2-CD2 4.23Å; L149-L151 PolarHBondContact O-N 3.41Å; L151-V156 HydrophobicContact CB-CG2 4.09Å; L151-V156 HydrophobicContact CD1-CG2 3.89Å
152	D	87.3	Confident	88.2	Confident	4 Å²	4	59.6 Å²	59.6	2%	0.021	29%	0.288	C	S	.	.			trans	-71.5	119.1	175.9	-167	-11.3	0	0	0	110.1	I129 R130 E154 T155 V156	I129-D152 PolarHBondContact O-N 3.43Å; R130-D152 HydrophobicContact CG-CB 3.82Å; R130-D152 IonicContact CZ-OD2 3.92Å; R130-D152 IonicContact NE-OD2 3.2Å; R130-D152 PolarHBondContact NE-OD2 3.45Å; R130-D152 IonicContact NH2-OD2 2.73Å; R130-D152 PolarHBondContact NH2-OD2 3.33Å; D152-E154 PolarHBondContact O-N 3.05Å; D152-E154 VanDerWaalsContact O-N 3.09Å; D152-T155 PolarHBondContact O-N 3.18Å; D152-T155 PolarHBondContact O-OG1 3.27Å; D152-V156 PolarHBondContact O-N 3.47Å
153	P	85.2	Confident	88.3	Confident	96 Å²	96	62.3 Å²	62.3	62%	0.623	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-22.5	-175.3	24.7	-36.9	0	0	0	113.9	V156	P153-V156 WeakPolarHBondContact O-CG1 3.41Å
154	E	86.7	Confident	88.4	Confident	156 Å²	156	62.9 Å²	62.9	73%	0.729	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-31.7	177.2	-64.8	-177.2	177	0	0	112.3	D152	D152-E154 PolarHBondContact O-N 3.05Å; D152-E154 VanDerWaalsContact O-N 3.09Å
155	T	88.4	Confident	88.4	Confident	21 Å²	21	63.1 Å²	63.1	13%	0.129	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-8.5	-173.3	65.9	0	0	0	0	113.5	R130 D152 N157 E158	R130-T155 HydrophobicContact CG-CG2 4.22Å; D152-T155 PolarHBondContact O-N 3.18Å; D152-T155 PolarHBondContact O-OG1 3.27Å; T155-N157 PolarHBondContact O-N 3.4Å; T155-E158 WeakPolarHBondContact O-CB 3.21Å; T155-E158 PolarHBondContact O-N 3.45Å
156	V	87.2	Confident	88.1	Confident	20 Å²	20	65.6 Å²	65.6	12%	0.121	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-58.4	-33	-174.8	71.5	0	0	0	0	113.2	L151 D152 P153 E158 V159 I175	L151-V156 HydrophobicContact CB-CG2 4.09Å; L151-V156 HydrophobicContact CD1-CG2 3.89Å; D152-V156 PolarHBondContact O-N 3.47Å; P153-V156 WeakPolarHBondContact O-CG1 3.41Å; V156-E158 VanDerWaalsContact C-N 3.27Å; V156-E158 PolarHBondContact O-N 3.48Å; V156-V159 WeakPolarHBondContact O-CB 3.21Å; V156-V159 PolarHBondContact O-N 3.38Å; V156-I175 HydrophobicContact CG2-CB 4.19Å
157	N	87.2	Confident	87.9	Confident	115 Å²	115	73.6 Å²	73.6	62%	0.615	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-71.9	-21.3	179.7	-67	-30.1	0	0	0	113.1	T155 V159	T155-N157 PolarHBondContact O-N 3.4Å; N157-V159 VanDerWaalsContact C-N 3.3Å
158	E	90.5	Very high	87.9	Confident	100 Å²	100	73.5 Å²	73.5	47%	0.467	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-86.6	-4.4	176.7	-59	179	172.1	0	0	112.2	S132 T155 V156 S160	S132-E158 VanDerWaalsContact CB-CB 3.49Å; S132-E158 VanDerWaalsContact CB-OE2 3.29Å; S132-E158 WeakPolarHBondContact CB-OE2 3.23Å; S132-E158 PolarHBondContact OG-OE2 3.25Å; T155-E158 WeakPolarHBondContact O-CB 3.21Å; T155-E158 PolarHBondContact O-N 3.45Å; V156-E158 VanDerWaalsContact C-N 3.27Å; V156-E158 PolarHBondContact O-N 3.48Å; E158-S160 PolarHBondContact O-N 3.49Å
159	V	92.4	Very high	87.9	Confident	2 Å²	2	68.7 Å²	68.7	1%	0.012	35%	0.345	C	S	.	.			trans	-86.1	96.8	172.6	-173.5	0	0	0	0	107.3	L131 V156 N157 P173 V174	L131-V159 HydrophobicContact CB-CG2 4.15Å; V156-V159 WeakPolarHBondContact O-CB 3.21Å; V156-V159 PolarHBondContact O-N 3.38Å; N157-V159 VanDerWaalsContact C-N 3.3Å; V159-P173 CarbonylContact O-C 3.1Å; V159-P173 WeakPolarHBondContact O-CA 3.26Å; V159-V174 HydrophobicContact CG1-CB 4.22Å; V159-V174 HydrophobicContact CG1-CG2 3.81Å; V159-V174 WeakPolarHBondContact O-CG2 3.24Å; V159-V174 PolarHBondContact O-N 2.86Å
160	S	92.9	Very high	88.1	Confident	45 Å²	45	71.2 Å²	71.2	32%	0.315	36%	0.36	S	S	.	.	B	Isolated β-bridge	trans	-117.4	148.3	178.8	62.5	0	0	0	0	112.5	E158 H162 Q172	E158-S160 PolarHBondContact O-N 3.49Å; S160-H162 PolarHBondContact O-N 3.14Å; S160-Q172 CarbonylContact C-O 3.55Å; S160-Q172 VanDerWaalsContact CA-O 3.25Å; S160-Q172 WeakPolarHBondContact CA-O 3.26Å; S160-Q172 WeakPolarHBondContact CB-O 3.41Å
161	C	92.9	Very high	88.2	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	113.3	172.1	-59.3	0	0	0	0	110	C138 Y169 G171 Q172	C138-C161 HydrophobicContact CB-CB 3.75Å; C138-C161 WeakPolarHBondContact CB-SG 3.01Å; C138-C161 VanDerWaalsContact SG-CA 3.53Å; C138-C161 WeakPolarHBondContact SG-CB 3.47Å; C138-C161 CovalentContact SG-SG 2.02Å; C138-C161 PolarHBondContact SG-SG 2.99Å; C161-Y169 WeakPolarHBondContact CB-O 3.47Å; C161-G171 WeakPolarHBondContact O-CA 3.26Å; C161-G171 PolarHBondContact O-N 3.48Å; C161-Q172 PolarHBondContact N-O 3.02Å
162	H	93.3	Very high	88.3	Confident	120 Å²	120	67.1 Å²	67.1	56%	0.556	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	-38.8	172.1	-174.6	71.4	0	0	0	111.6	P135 W136 S160 V170	P135-H162 HydrophobicContact CB-CB 4.23Å; W136-H162 PolarHBondContact O-N 2.89Å; S160-H162 PolarHBondContact O-N 3.14Å; H162-V170 WeakPolarHBondContact O-CG1 3.19Å
163	T	91.8	Very high	88.4	Confident	58 Å²	58	68.6 Å²	68.6	36%	0.356	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	159.5	171	53.4	0	0	0	0	108.7	W136 H137 C138	W136-T163 PolarHBondContact O-N 3.37Å; H137-T163 CarbonylContact C-O 3.49Å; H137-T163 WeakPolarHBondContact CA-O 3.33Å; H137-T163 WeakPolarHBondContact CA-OG1 3.42Å; H137-T163 WeakPolarHBondContact CB-OG1 3Å; H137-T163 WeakPolarHBondContact ND1-CB 3.43Å; H137-T163 PolarHBondContact ND1-OG1 3.18Å; C138-T163 PolarHBondContact N-O 2.78Å
164	S	89.6	Confident	88.5	Confident	17 Å²	17	64.2 Å²	64.2	12%	0.119	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	151.5	-177.6	170.2	0	0	0	0	109.4	C138 Q166	C138-S164 WeakPolarHBondContact O-CA 3.09Å; S164-Q166 WeakPolarHBondContact CB-O 3.37Å; S164-Q166 PolarHBondContact O-N 2.96Å; S164-Q166 PolarHBondContact OG-N 3.06Å; S164-Q166 PolarHBondContact OG-O 3.29Å
165	V	86.6	Confident	88.4	Confident	64 Å²	64	59.7 Å²	59.7	39%	0.388	32%	0.323	S	S	.	.	S	Bend	trans	-60.6	-27.8	170.1	178.4	0	0	0	0	111.2	C138 E139 F187	C138-V165 PolarHBondContact O-N 3.29Å; E139-V165 HydrophobicContact CB-CG2 3.73Å; V165-F187 HydrophobicContact CG1-CD1 3.56Å; V165-F187 HydrophobicContact CG1-CE1 3.52Å
166	Q	82.6	Confident	88.2	Confident	60 Å²	60	63.4 Å²	63.4	28%	0.28	34%	0.34	S	S	.	.	S	Bend	trans	-114.3	118.9	174.3	-73.7	-179.7	-19	0	0	110	S164 E168 Y169 F184	S164-Q166 WeakPolarHBondContact CB-O 3.37Å; S164-Q166 PolarHBondContact O-N 2.96Å; S164-Q166 PolarHBondContact OG-N 3.06Å; S164-Q166 PolarHBondContact OG-O 3.29Å; Q166-E168 PolarHBondContact O-N 3.47Å; Q166-E168 VanDerWaalsContact O-N 3.14Å; Q166-Y169 HydrophobicContact CB-CD2 3.73Å; Q166-Y169 HydrophobicContact CB-CE2 4.08Å; Q166-Y169 PolarHBondContact O-N 3.01Å; Q166-F184 HydrophobicContact CB-CE1 4.45Å
167	E	83.6	Confident	88	Confident	175 Å²	175	62.6 Å²	62.6	82%	0.818	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-59.5	-26.7	-175	-63.7	-174.8	172.5	0	0	113.7	Y169 V170	E167-Y169 PolarHBondContact O-N 3.47Å; E167-V170 WeakPolarHBondContact O-CB 3.46Å; E167-V170 WeakPolarHBondContact O-CG2 3.46Å; E167-V170 PolarHBondContact O-N 3.05Å
168	E	83.8	Confident	87.7	Confident	144 Å²	144	58.6 Å²	58.6	67%	0.673	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-62.6	-23.4	180	-170.5	174.9	-155.1	0	0	113.8	Q166	Q166-E168 PolarHBondContact O-N 3.47Å; Q166-E168 VanDerWaalsContact O-N 3.14Å
169	Y	85.3	Confident	87.3	Confident	31 Å²	31	60 Å²	60	12%	0.122	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-98.7	0.9	-178	-58.4	-75.7	0	0	0	113.5	C161 Q166 E167 G171 Q172 V177 I182 F184	C161-Y169 WeakPolarHBondContact CB-O 3.47Å; Q166-Y169 HydrophobicContact CB-CD2 3.73Å; Q166-Y169 HydrophobicContact CB-CE2 4.08Å; Q166-Y169 PolarHBondContact O-N 3.01Å; E167-Y169 PolarHBondContact O-N 3.47Å; Y169-G171 PolarHBondContact O-N 2.89Å; Y169-Q172 PolarHBondContact O-N 3.21Å; Y169-Q172 VanDerWaalsContact O-N 3.14Å; Y169-V177 HydrophobicContact CD1-CG1 4.34Å; Y169-V177 HydrophobicContact CD1-CG2 3.94Å; Y169-V177 HydrophobicContact CG-CG2 4.38Å; Y169-I182 HydrophobicContact CD1-CD1 4.15Å; Y169-I182 HydrophobicContact CD2-CD1 4.43Å; Y169-I182 HydrophobicContact CE1-CD1 3.23Å; Y169-I182 HydrophobicContact CE2-CD1 3.61Å; Y169-I182 WeakPolarHBondContact OH-CD1 3.33Å; Y169-F184 HydrophobicContact CD2-CE1 4.36Å; Y169-F184 HydrophobicContact CD2-CZ 4.44Å
170	V	89.8	Confident	86.6	Confident	73 Å²	73	62.8 Å²	62.8	44%	0.442	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	127.8	175.4	177	0	0	0	0	109.4	H162 E167 Q172	H162-V170 WeakPolarHBondContact O-CG1 3.19Å; E167-V170 WeakPolarHBondContact O-CB 3.46Å; E167-V170 WeakPolarHBondContact O-CG2 3.46Å; E167-V170 PolarHBondContact O-N 3.05Å; V170-Q172 VanDerWaalsContact C-N 3.28Å; V170-Q172 PolarHBondContact O-N 2.81Å
171	G	88.8	Confident	85.6	Confident	55 Å²	55	63.9 Å²	63.9	57%	0.567	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	-4.7	-176.3	0	0	0	0	0	114.9	C161 Y169	C161-G171 WeakPolarHBondContact O-CA 3.26Å; C161-G171 PolarHBondContact O-N 3.48Å; Y169-G171 PolarHBondContact O-N 2.89Å
172	Q	88.3	Confident	84.8	Confident	53 Å²	53	65.3 Å²	65.3	25%	0.248	37%	0.369	C	S	.	.			trans	-81.1	146.7	176.9	-66.4	-160.4	-2.7	0	0	112	S160 C161 Y169 V170 V177	S160-Q172 CarbonylContact C-O 3.55Å; S160-Q172 VanDerWaalsContact CA-O 3.25Å; S160-Q172 WeakPolarHBondContact CA-O 3.26Å; S160-Q172 WeakPolarHBondContact CB-O 3.41Å; C161-Q172 PolarHBondContact N-O 3.02Å; Y169-Q172 PolarHBondContact O-N 3.21Å; Y169-Q172 VanDerWaalsContact O-N 3.14Å; V170-Q172 VanDerWaalsContact C-N 3.28Å; V170-Q172 PolarHBondContact O-N 2.81Å; Q172-V177 HydrophobicContact CB-CG2 4.19Å
173	P	89.6	Confident	84.1	Confident	35 Å²	35	62.3 Å²	62.3	23%	0.227	36%	0.357	C	S	.	.	B	Isolated β-bridge	trans	-67.7	138.4	174.3	29.4	-33.9	0	0	0	110.1	V159 I175 Q176 V177	V159-P173 CarbonylContact O-C 3.1Å; V159-P173 WeakPolarHBondContact O-CA 3.26Å; P173-I175 HydrophobicContact CB-CG2 4.36Å; P173-I175 PolarHBondContact O-N 3.06Å; P173-Q176 HydrophobicContact CG-CB 3.94Å; P173-Q176 WeakPolarHBondContact O-CB 3.34Å; P173-Q176 PolarHBondContact O-N 3.31Å; P173-V177 PolarHBondContact O-N 2.87Å
174	V	87.6	Confident	83.6	Confident	5 Å²	5	60.1 Å²	60.1	3%	0.03	34%	0.342	C	S	.	.	H	α-helix	trans	-65.7	-28.6	-170.9	-174.8	0	0	0	0	112.2	L146 V159 Q176 V177 L178	L146-V174 HydrophobicContact CD1-CB 4.18Å; L146-V174 HydrophobicContact CD1-CG1 3.23Å; V159-V174 HydrophobicContact CG1-CB 4.22Å; V159-V174 HydrophobicContact CG1-CG2 3.81Å; V159-V174 WeakPolarHBondContact O-CG2 3.24Å; V159-V174 PolarHBondContact O-N 2.86Å; V174-Q176 VanDerWaalsContact C-N 3.3Å; V174-Q176 PolarHBondContact O-N 3.36Å; V174-V177 WeakPolarHBondContact O-CB 3.45Å; V174-V177 PolarHBondContact O-N 3.39Å; V174-V177 VanDerWaalsContact O-N 3.14Å; V174-L178 HydrophobicContact CG1-CD1 4.11Å; V174-L178 HydrophobicContact CG1-CG 4.15Å; V174-L178 WeakPolarHBondContact O-CG 3.47Å; V174-L178 PolarHBondContact O-N 3.42Å
175	I	85.3	Confident	83.1	Confident	60 Å²	60	60.5 Å²	60.5	31%	0.308	35%	0.345	S	S	.	.	H	α-helix	trans	-60	-40	174.8	-167.6	62.9	0	0	0	112.3	V156 P173 V177 L178 D179	V156-I175 HydrophobicContact CG2-CB 4.19Å; P173-I175 HydrophobicContact CB-CG2 4.36Å; P173-I175 PolarHBondContact O-N 3.06Å; I175-V177 VanDerWaalsContact C-N 3.33Å; I175-V177 PolarHBondContact O-N 3.34Å; I175-L178 PolarHBondContact O-N 2.85Å; I175-D179 WeakPolarHBondContact O-CB 3.22Å; I175-D179 PolarHBondContact O-N 3.35Å
176	Q	83.1	Confident	82.5	Confident	100 Å²	100	62.6 Å²	62.6	47%	0.467	35%	0.354	S	S	.	.	H	α-helix	trans	-66.9	-38.8	176.6	-177.9	178.5	-2.2	0	0	110.9	P173 V174 L178 D179 S180	P173-Q176 HydrophobicContact CG-CB 3.94Å; P173-Q176 WeakPolarHBondContact O-CB 3.34Å; P173-Q176 PolarHBondContact O-N 3.31Å; V174-Q176 VanDerWaalsContact C-N 3.3Å; V174-Q176 PolarHBondContact O-N 3.36Å; Q176-L178 VanDerWaalsContact C-N 3.34Å; Q176-D179 PolarHBondContact O-N 2.95Å; Q176-S180 VanDerWaalsContact O-CB 3.28Å; Q176-S180 WeakPolarHBondContact O-CB 3.28Å; Q176-S180 PolarHBondContact O-N 3.08Å
177	V	82.8	Confident	81.6	Confident	2 Å²	2	63.7 Å²	63.7	1%	0.012	36%	0.358	C	S	.	.	H	α-helix	trans	-63.9	-40.6	176.1	-175.8	0	0	0	0	110.9	Y169 Q172 P173 V174 I175 S180 F184	Y169-V177 HydrophobicContact CD1-CG1 4.34Å; Y169-V177 HydrophobicContact CD1-CG2 3.94Å; Y169-V177 HydrophobicContact CG-CG2 4.38Å; Q172-V177 HydrophobicContact CB-CG2 4.19Å; P173-V177 PolarHBondContact O-N 2.87Å; V174-V177 WeakPolarHBondContact O-CB 3.45Å; V174-V177 PolarHBondContact O-N 3.39Å; V174-V177 VanDerWaalsContact O-N 3.14Å; I175-V177 VanDerWaalsContact C-N 3.33Å; I175-V177 PolarHBondContact O-N 3.34Å; V177-S180 PolarHBondContact O-OG 3.03Å; V177-F184 HydrophobicContact CG1-CE2 3.39Å; V177-F184 HydrophobicContact CG1-CZ 3.44Å; V177-F184 VanDerWaalsContact CG1-CZ 3.44Å
178	L	81.6	Confident	80.4	Confident	32 Å²	32	60.8 Å²	60.8	17%	0.168	34%	0.344	C	S	.	.	H	α-helix	trans	-68.4	-38.8	177.4	-68.6	170.2	0	0	0	112.6	Q143 L146 R147 V174 I175 Q176	Q143-L178 HydrophobicContact CG-CD2 3.85Å; L146-L178 HydrophobicContact CB-CD1 3.94Å; R147-L178 HydrophobicContact CG-CD2 4.37Å; V174-L178 HydrophobicContact CG1-CD1 4.11Å; V174-L178 HydrophobicContact CG1-CG 4.15Å; V174-L178 WeakPolarHBondContact O-CG 3.47Å; V174-L178 PolarHBondContact O-N 3.42Å; I175-L178 PolarHBondContact O-N 2.85Å; Q176-L178 VanDerWaalsContact C-N 3.34Å
179	D	82.3	Confident	79.3	Confident	129 Å²	129	59.8 Å²	59.8	69%	0.69	34%	0.339	S	S	*	.	H	α-helix	trans	-79.3	-21.6	-178.4	-73.2	-16	0	0	0	113.3	I175 Q176 G181	I175-D179 WeakPolarHBondContact O-CB 3.22Å; I175-D179 PolarHBondContact O-N 3.35Å; Q176-D179 PolarHBondContact O-N 2.95Å; D179-G181 PolarHBondContact O-N 2.72Å
180	S	77.1	Confident	78.1	Confident	60 Å²	60	65.5 Å²	65.5	42%	0.42	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-7.5	179.6	69.3	0	0	0	0	114.7	Q176 V177 I182	Q176-S180 VanDerWaalsContact O-CB 3.28Å; Q176-S180 WeakPolarHBondContact O-CB 3.28Å; Q176-S180 PolarHBondContact O-N 3.08Å; V177-S180 PolarHBondContact O-OG 3.03Å; S180-I182 PolarHBondContact O-N 3.37Å; S180-I182 WeakPolarHBondContact OG-CD1 3.38Å; S180-I182 VanDerWaalsContact OG-CG1 3.25Å; S180-I182 WeakPolarHBondContact OG-CG1 3.26Å
181	G	71.8	Confident	76.8	Confident	68 Å²	68	65.1 Å²	65.1	70%	0.701	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.9	8.9	-179.4	0	0	0	0	0	114.2	D179	D179-G181 PolarHBondContact O-N 2.72Å
182	I	76	Confident	75.7	Confident	30 Å²	30	65.5 Å²	65.5	15%	0.154	35%	0.354	C	S	.	.			trans	-71.8	141.8	177.3	-65.3	167	0	0	0	110.1	Q143 Y169 S180 F184	Q143-I182 PolarHBondContact NE2-O 2.94Å; Y169-I182 HydrophobicContact CD1-CD1 4.15Å; Y169-I182 HydrophobicContact CD2-CD1 4.43Å; Y169-I182 HydrophobicContact CE1-CD1 3.23Å; Y169-I182 HydrophobicContact CE2-CD1 3.61Å; Y169-I182 WeakPolarHBondContact OH-CD1 3.33Å; S180-I182 PolarHBondContact O-N 3.37Å; S180-I182 WeakPolarHBondContact OG-CD1 3.38Å; S180-I182 VanDerWaalsContact OG-CG1 3.25Å; S180-I182 WeakPolarHBondContact OG-CG1 3.26Å; I182-F184 HydrophobicContact CG2-CD1 4.2Å; I182-F184 HydrophobicContact CG2-CE1 4.07Å; I182-F184 HydrophobicContact CG2-CZ 4.29Å
183	N	79.1	Confident	74.8	Confident	58 Å²	58	66.2 Å²	66.2	31%	0.31	36%	0.36	S	S	.	.			trans	-124.6	97.5	174.4	-171.5	-9.2	0	0	0	109.3	C185 N186	N183-C185 PolarHBondContact O-N 2.87Å; N183-C185 WeakPolarHBondContact OD1-CB 3.45Å; N183-C185 PolarHBondContact OD1-N 2.63Å; N183-N186 HydrophobicContact CB-CB 4.48Å; N183-N186 PolarHBondContact O-N 3.28Å
184	F	80.4	Confident	74.2	Confident	11 Å²	11	68.9 Å²	68.9	5%	0.048	38%	0.375	C	S	.	.	H	α-helix	trans	-59.7	-25.6	177.1	-65.7	-62.7	0	0	0	111.9	C138 C140 Q143 Q166 Y169 V177 I182 N186 F187 H188	C138-F184 HydrophobicContact CB-CE2 4.42Å; C138-F184 HydrophobicContact CB-CZ 4.46Å; C140-F184 HydrophobicContact CB-CB 4.35Å; Q143-F184 HydrophobicContact CB-CD2 4.16Å; Q143-F184 VanDerWaalsContact OE1-CD2 3.26Å; Q166-F184 HydrophobicContact CB-CE1 4.45Å; Y169-F184 HydrophobicContact CD2-CE1 4.36Å; Y169-F184 HydrophobicContact CD2-CZ 4.44Å; V177-F184 HydrophobicContact CG1-CE2 3.39Å; V177-F184 HydrophobicContact CG1-CZ 3.44Å; V177-F184 VanDerWaalsContact CG1-CZ 3.44Å; I182-F184 HydrophobicContact CG2-CD1 4.2Å; I182-F184 HydrophobicContact CG2-CE1 4.07Å; I182-F184 HydrophobicContact CG2-CZ 4.29Å; F184-N186 PolarHBondContact O-N 2.99Å; F184-F187 WeakPolarHBondContact O-CB 3.37Å; F184-F187 PolarHBondContact O-N 3.37Å; F184-H188 PolarHBondContact O-N 2.94Å
185	C	80.6	Confident	73.8	Confident	25 Å²	25	71.6 Å²	71.6	17%	0.169	40%	0.398	C	S	.	.	H	α-helix	trans	-70.2	-29.7	179.6	-53	0	0	0	0	113.3	C140 N183 F187 H188 H189	C140-C185 HydrophobicContact CB-CB 3.92Å; C140-C185 WeakPolarHBondContact CB-SG 3.33Å; C140-C185 WeakPolarHBondContact SG-CA 3.36Å; C140-C185 WeakPolarHBondContact SG-CB 2.87Å; C140-C185 CovalentContact SG-SG 2.04Å; C140-C185 PolarHBondContact SG-SG 3.43Å; N183-C185 PolarHBondContact O-N 2.87Å; N183-C185 WeakPolarHBondContact OD1-CB 3.45Å; N183-C185 PolarHBondContact OD1-N 2.63Å; C185-F187 VanDerWaalsContact C-N 3.3Å; C185-F187 PolarHBondContact O-N 2.96Å; C185-H188 PolarHBondContact O-N 2.92Å; C185-H189 PolarHBondContact O-N 3.24Å
186	N	73.1	Confident	73.6	Confident	109 Å²	109	74.2 Å²	74.2	58%	0.583	41%	0.41	S	S	*	.	H	α-helix	trans	-70.5	-29.5	174.8	-81.4	-11.8	0	0	0	112.2	N183 F184 K190	N183-N186 HydrophobicContact CB-CB 4.48Å; N183-N186 PolarHBondContact O-N 3.28Å; F184-N186 PolarHBondContact O-N 2.99Å; N186-K190 PolarHBondContact O-N 2.92Å
187	F	63.1	Low	73.8	Confident	83 Å²	83	74.6 Å²	74.6	36%	0.364	41%	0.41	S	S	.	.	H	α-helix	trans	-68.5	-42.8	176.5	-177	-97.1	0	0	0	111.4	V165 F184 C185 H189 K190 T191	V165-F187 HydrophobicContact CG1-CD1 3.56Å; V165-F187 HydrophobicContact CG1-CE1 3.52Å; F184-F187 WeakPolarHBondContact O-CB 3.37Å; F184-F187 PolarHBondContact O-N 3.37Å; C185-F187 VanDerWaalsContact C-N 3.3Å; C185-F187 PolarHBondContact O-N 2.96Å; F187-H189 VanDerWaalsContact C-N 3.25Å; F187-H189 PolarHBondContact O-N 2.94Å; F187-K190 PolarHBondContact O-N 3.2Å; F187-T191 HydrophobicContact CD1-CG2 4.32Å; F187-T191 HydrophobicContact CE1-CG2 3.73Å; F187-T191 HydrophobicContact CZ-CG2 3.85Å; F187-T191 PolarHBondContact O-N 2.82Å; F187-T191 PolarHBondContact O-OG1 3.34Å
188	H	59.3	Low	74.1	Confident	114 Å²	114	78.4 Å²	78.4	53%	0.528	43%	0.433	S	S	.	.	H	α-helix	trans	-58.7	-38.7	178.2	-158.2	-67	0	0	0	112	F184 C185 T191 T192	F184-H188 PolarHBondContact O-N 2.94Å; C185-H188 PolarHBondContact O-N 2.92Å; H188-T191 WeakPolarHBondContact CA-OG1 3.3Å; H188-T191 PolarHBondContact O-OG1 3.13Å; H188-T192 WeakPolarHBondContact O-CG2 3.26Å; H188-T192 PolarHBondContact O-N 2.04Å; H188-T192 PolarHBondContact O-OG1 3.07Å
189	H	60.2	Low	74.4	Confident	123 Å²	123	79.7 Å²	79.7	57%	0.569	45%	0.449	S	S	*	.	H	α-helix	trans	-64.7	-42.8	174.3	-116.1	-77.6	0	0	0	112.8	C185 F187 T191 T192 D193	C185-H189 PolarHBondContact O-N 3.24Å; F187-H189 VanDerWaalsContact C-N 3.25Å; F187-H189 PolarHBondContact O-N 2.94Å; H189-T191 PolarHBondContact O-N 3.19Å; H189-T192 WeakPolarHBondContact CA-OG1 2.98Å; H189-T192 PolarHBondContact O-N 2.73Å; H189-T192 PolarHBondContact O-OG1 3.25Å; H189-D193 WeakPolarHBondContact O-CB 3.37Å; H189-D193 VanDerWaalsContact O-CG 3.29Å; H189-D193 PolarHBondContact O-N 3.09Å
190	K	60.1	Low	74.7	Confident	151 Å²	151	77.3 Å²	77.3	66%	0.657	43%	0.434	S	S	*	.	H	α-helix	trans	-62.9	-41	178	-94.9	-176.8	175.8	177	0	112.6	N186 F187 D193 V194	N186-K190 PolarHBondContact O-N 2.92Å; F187-K190 PolarHBondContact O-N 3.2Å; K190-D193 PolarHBondContact O-N 3.48Å; K190-V194 WeakPolarHBondContact O-CG2 3.36Å; K190-V194 PolarHBondContact O-N 3.32Å; K190-V194 VanDerWaalsContact O-N 3.09Å
191	T	62.9	Low	75.6	Confident	64 Å²	64	81.1 Å²	81.1	39%	0.393	44%	0.444	S	S	.	.	H	α-helix	trans	-66.6	-38.9	177.8	41.1	0	0	0	0	112.3	F187 H188 H189 A195	F187-T191 HydrophobicContact CD1-CG2 4.32Å; F187-T191 HydrophobicContact CE1-CG2 3.73Å; F187-T191 HydrophobicContact CZ-CG2 3.85Å; F187-T191 PolarHBondContact O-N 2.82Å; F187-T191 PolarHBondContact O-OG1 3.34Å; H188-T191 WeakPolarHBondContact CA-OG1 3.3Å; H188-T191 PolarHBondContact O-OG1 3.13Å; H189-T191 PolarHBondContact O-N 3.19Å; T191-A195 WeakPolarHBondContact O-CB 3.48Å; T191-A195 PolarHBondContact O-N 3.43Å
192	T	64.7	Low	76.7	Confident	63 Å²	63	81.6 Å²	81.6	39%	0.387	44%	0.436	S	S	.	.	H	α-helix	trans	-68.7	-39.4	176.3	49.5	0	0	0	0	112.1	H188 H189 A195 M196	H188-T192 WeakPolarHBondContact O-CG2 3.26Å; H188-T192 PolarHBondContact O-N 2.04Å; H188-T192 PolarHBondContact O-OG1 3.07Å; H189-T192 WeakPolarHBondContact CA-OG1 2.98Å; H189-T192 PolarHBondContact O-N 2.73Å; H189-T192 PolarHBondContact O-OG1 3.25Å; T192-A195 PolarHBondContact O-N 3.29Å; T192-M196 VanDerWaalsContact O-CB 3.24Å; T192-M196 WeakPolarHBondContact O-CB 3.33Å; T192-M196 PolarHBondContact O-N 2.78Å
193	D	69.6	Low	77.6	Confident	69 Å²	69	88 Å²	88	37%	0.369	46%	0.458	S	S	.	.	H	α-helix	trans	-62.6	-48.2	177.2	-74.4	-19.2	0	0	0	111	H189 K190 M196 F197	H189-D193 WeakPolarHBondContact O-CB 3.37Å; H189-D193 VanDerWaalsContact O-CG 3.29Å; H189-D193 PolarHBondContact O-N 3.09Å; K190-D193 PolarHBondContact O-N 3.48Å; D193-M196 PolarHBondContact O-N 2.84Å; D193-F197 HydrophobicContact CB-CE2 4.29Å; D193-F197 WeakPolarHBondContact O-CD2 3.4Å; D193-F197 WeakPolarHBondContact O-CG 3.29Å; D193-F197 PolarHBondContact O-N 3.07Å
194	V	78.2	Confident	78.4	Confident	91 Å²	91	90.1 Å²	90.1	55%	0.552	47%	0.465	S	S	*	.	H	α-helix	trans	-63.1	-45.3	178.5	174.9	0	0	0	0	111.5	K190 M196 F197 V198	K190-V194 WeakPolarHBondContact O-CG2 3.36Å; K190-V194 PolarHBondContact O-N 3.32Å; K190-V194 VanDerWaalsContact O-N 3.09Å; V194-M196 VanDerWaalsContact C-N 3.31Å; V194-M196 PolarHBondContact O-N 2.03Å; V194-F197 PolarHBondContact O-N 3.13Å; V194-V198 HydrophobicContact CG1-CG2 4.41Å; V194-V198 WeakPolarHBondContact O-CG2 3.48Å; V194-V198 PolarHBondContact O-N 3.39Å
195	A	78.5	Confident	79.2	Confident	61 Å²	61	97.4 Å²	97.4	50%	0.504	50%	0.496	S	S	.	.	H	α-helix	trans	-62	-39.7	178	0	0	0	0	0	112	T191 T192 V198 A199	T191-A195 WeakPolarHBondContact O-CB 3.48Å; T191-A195 PolarHBondContact O-N 3.43Å; T192-A195 PolarHBondContact O-N 3.29Å; A195-V198 PolarHBondContact O-N 3.5Å; A195-A199 WeakPolarHBondContact O-CB 3.41Å; A195-A199 PolarHBondContact O-N 3.48Å
196	M	80.7	Confident	80	Confident	116 Å²	116	101.5 Å²	101.5	57%	0.571	51%	0.514	S	S	*	.	H	α-helix	trans	-65.6	-42.2	175.6	-170.9	-177.2	66.5	0	0	111.5	T192 D193 V194 A199 M200	T192-M196 VanDerWaalsContact O-CB 3.24Å; T192-M196 WeakPolarHBondContact O-CB 3.33Å; T192-M196 PolarHBondContact O-N 2.78Å; D193-M196 PolarHBondContact O-N 2.84Å; V194-M196 VanDerWaalsContact C-N 3.31Å; V194-M196 PolarHBondContact O-N 2.03Å; M196-A199 PolarHBondContact O-N 2.77Å; M196-M200 WeakPolarHBondContact O-CB 3.32Å; M196-M200 PolarHBondContact O-N 2.78Å
197	F	86.9	Confident	81.1	Confident	107 Å²	107	98.6 Å²	98.6	47%	0.469	50%	0.5	S	S	.	.	H	α-helix	trans	-62.6	-44.9	174.1	-74.6	-58.9	0	0	0	112	D193 V194 A199 M200 F201	D193-F197 HydrophobicContact CB-CE2 4.29Å; D193-F197 WeakPolarHBondContact O-CD2 3.4Å; D193-F197 WeakPolarHBondContact O-CG 3.29Å; D193-F197 PolarHBondContact O-N 3.07Å; V194-F197 PolarHBondContact O-N 3.13Å; F197-A199 VanDerWaalsContact C-N 3.35Å; F197-A199 PolarHBondContact O-N 2.9Å; F197-M200 HydrophobicContact CD1-CE 4.22Å; F197-M200 WeakPolarHBondContact O-CB 3.48Å; F197-M200 PolarHBondContact O-N 3.37Å; F197-F201 WeakPolarHBondContact O-CD2 3.41Å; F197-F201 PolarHBondContact O-N 3.12Å
198	V	89.9	Confident	82.7	Confident	82 Å²	82	98.5 Å²	98.5	50%	0.497	51%	0.507	S	S	.	.	H	α-helix	trans	-59.6	-46.3	176.4	171.8	0	0	0	0	110.7	V194 A195 M200 F201 C202	V194-V198 HydrophobicContact CG1-CG2 4.41Å; V194-V198 WeakPolarHBondContact O-CG2 3.48Å; V194-V198 PolarHBondContact O-N 3.39Å; A195-V198 PolarHBondContact O-N 3.5Å; V198-M200 VanDerWaalsContact C-N 3.32Å; V198-M200 PolarHBondContact O-N 2.91Å; V198-F201 PolarHBondContact O-N 2.96Å; V198-C202 WeakPolarHBondContact O-CB 3.48Å; V198-C202 PolarHBondContact O-N 3.33Å; V198-C202 PolarHBondContact O-SG 2.87Å
199	A	87.1	Confident	84.4	Confident	59 Å²	59	95.4 Å²	95.4	49%	0.488	50%	0.501	S	S	.	.	H	α-helix	trans	-60.7	-41.5	176.6	0	0	0	0	0	112.1	A195 M196 F197 C202 W203	A195-A199 WeakPolarHBondContact O-CB 3.41Å; A195-A199 PolarHBondContact O-N 3.48Å; M196-A199 PolarHBondContact O-N 2.77Å; F197-A199 VanDerWaalsContact C-N 3.35Å; F197-A199 PolarHBondContact O-N 2.9Å; A199-C202 PolarHBondContact O-N 3.19Å; A199-W203 WeakPolarHBondContact O-CB 3.5Å; A199-W203 PolarHBondContact O-N 2.97Å
200	M	90.5	Very high	86.1	Confident	79 Å²	79	95.8 Å²	95.8	39%	0.389	50%	0.498	S	S	.	.	H	α-helix	trans	-62.3	-46.3	175.8	-168.6	-171.3	74	0	0	111.2	M196 F197 V198 W203 F204	M196-M200 WeakPolarHBondContact O-CB 3.32Å; M196-M200 PolarHBondContact O-N 2.78Å; F197-M200 HydrophobicContact CD1-CE 4.22Å; F197-M200 WeakPolarHBondContact O-CB 3.48Å; F197-M200 PolarHBondContact O-N 3.37Å; V198-M200 VanDerWaalsContact C-N 3.32Å; V198-M200 PolarHBondContact O-N 2.91Å; M200-W203 PolarHBondContact O-N 2.92Å; M200-F204 HydrophobicContact CE-CE2 4.33Å; M200-F204 HydrophobicContact CG-CD2 3.7Å; M200-F204 HydrophobicContact CG-CE2 3.55Å; M200-F204 VanDerWaalsContact O-CD2 3.23Å; M200-F204 WeakPolarHBondContact O-CD2 3.48Å; M200-F204 PolarHBondContact O-N 3.36Å; M200-F204 HydrophobicContact SD-CE2 3.98Å
201	F	95.1	Very high	87.8	Confident	140 Å²	140	92.6 Å²	92.6	61%	0.614	49%	0.487	S	S	*	.	H	α-helix	trans	-62.7	-42.8	176.1	-81.3	-67.5	0	0	0	112.4	F197 V198 W203 F204 F205	F197-F201 WeakPolarHBondContact O-CD2 3.41Å; F197-F201 PolarHBondContact O-N 3.12Å; V198-F201 PolarHBondContact O-N 2.96Å; F201-W203 VanDerWaalsContact C-N 3.34Å; F201-W203 PolarHBondContact O-N 3.09Å; F201-F204 PolarHBondContact O-N 3.3Å; F201-F205 WeakPolarHBondContact O-CB 2.95Å; F201-F205 PolarHBondContact O-N 2.9Å
202	C	94.3	Very high	89.4	Confident	79 Å²	79	93.7 Å²	93.7	53%	0.534	49%	0.494	S	S	.	.	H	α-helix	trans	-61.5	-42.4	174.8	-70.6	0	0	0	0	111.6	V198 A199 M206	V198-C202 WeakPolarHBondContact O-CB 3.48Å; V198-C202 PolarHBondContact O-N 3.33Å; V198-C202 PolarHBondContact O-SG 2.87Å; A199-C202 PolarHBondContact O-N 3.19Å; C202-M206 WeakPolarHBondContact O-CB 3.42Å; C202-M206 PolarHBondContact O-N 3.33Å
203	W	95.8	Very high	90.9	Very high	164 Å²	164	97.9 Å²	97.9	62%	0.621	50%	0.504	S	S	*	.	H	α-helix	trans	-66.3	-46.9	177.9	-176.9	66.2	0	0	0	112	A199 M200 F201 F205 M206 V207	A199-W203 WeakPolarHBondContact O-CB 3.5Å; A199-W203 PolarHBondContact O-N 2.97Å; M200-W203 PolarHBondContact O-N 2.92Å; F201-W203 VanDerWaalsContact C-N 3.34Å; F201-W203 PolarHBondContact O-N 3.09Å; W203-F205 VanDerWaalsContact C-N 3.34Å; W203-F205 PolarHBondContact O-N 2.94Å; W203-M206 PolarHBondContact O-N 3.45Å; W203-V207 HydrophobicContact CD2-CG2 4.22Å; W203-V207 HydrophobicContact CG-CG2 4.48Å; W203-V207 HydrophobicContact CZ2-CG2 4.16Å; W203-V207 WeakPolarHBondContact O-CG2 3.34Å; W203-V207 PolarHBondContact O-N 3.1Å
204	F	96.4	Very high	92	Very high	103 Å²	103	100.6 Å²	100.6	45%	0.452	51%	0.51	S	S	.	.	H	α-helix	trans	-58.5	-46.1	175.4	-88.8	-68.2	0	0	0	111.7	M200 F201 M206 V207 T208	M200-F204 HydrophobicContact CE-CE2 4.33Å; M200-F204 HydrophobicContact CG-CD2 3.7Å; M200-F204 HydrophobicContact CG-CE2 3.55Å; M200-F204 VanDerWaalsContact O-CD2 3.23Å; M200-F204 WeakPolarHBondContact O-CD2 3.48Å; M200-F204 PolarHBondContact O-N 3.36Å; M200-F204 HydrophobicContact SD-CE2 3.98Å; F201-F204 PolarHBondContact O-N 3.3Å; F204-M206 VanDerWaalsContact C-N 3.31Å; F204-M206 PolarHBondContact O-N 3.39Å; F204-V207 PolarHBondContact O-N 3.37Å; F204-T208 WeakPolarHBondContact O-CB 3.33Å; F204-T208 PolarHBondContact O-N 2.02Å; F204-T208 PolarHBondContact O-OG1 2.85Å
205	F	96.9	Very high	92.8	Very high	163 Å²	163	100.5 Å²	100.5	72%	0.715	51%	0.505	S	S	*	.	H	α-helix	trans	-59	-43.5	177	-175.1	-95.8	0	0	0	111.7	F201 W203 T208 A209	F201-F205 WeakPolarHBondContact O-CB 2.95Å; F201-F205 PolarHBondContact O-N 2.9Å; W203-F205 VanDerWaalsContact C-N 3.34Å; W203-F205 PolarHBondContact O-N 2.94Å; F205-T208 PolarHBondContact O-N 3.02Å; F205-A209 VanDerWaalsContact O-CB 3.25Å; F205-A209 WeakPolarHBondContact O-CB 3.46Å; F205-A209 PolarHBondContact O-N 2.96Å
206	M	96.4	Very high	93.4	Very high	111 Å²	111	103.7 Å²	103.7	55%	0.547	51%	0.508	S	S	.	.	H	α-helix	trans	-64.2	-45.3	178.3	-159.2	-79.5	126.7	0	0	111.8	C202 W203 F204 A209 Y210	C202-M206 WeakPolarHBondContact O-CB 3.42Å; C202-M206 PolarHBondContact O-N 3.33Å; W203-M206 PolarHBondContact O-N 3.45Å; F204-M206 VanDerWaalsContact C-N 3.31Å; F204-M206 PolarHBondContact O-N 3.39Å; M206-A209 PolarHBondContact O-N 2.92Å; M206-Y210 WeakPolarHBondContact O-CB 3.47Å; M206-Y210 PolarHBondContact O-N 3.13Å
207	V	96.9	Very high	93.8	Very high	48 Å²	48	101.6 Å²	101.6	29%	0.291	50%	0.496	S	S	.	.	H	α-helix	trans	-64.7	-45.9	177.1	172.3	0	0	0	0	111.3	W203 F204 A209 Y210 I211	W203-V207 HydrophobicContact CD2-CG2 4.22Å; W203-V207 HydrophobicContact CG-CG2 4.48Å; W203-V207 HydrophobicContact CZ2-CG2 4.16Å; W203-V207 WeakPolarHBondContact O-CG2 3.34Å; W203-V207 PolarHBondContact O-N 3.1Å; F204-V207 PolarHBondContact O-N 3.37Å; V207-A209 PolarHBondContact O-N 3.15Å; V207-Y210 PolarHBondContact O-N 3.23Å; V207-I211 HydrophobicContact CG1-CD1 3.83Å; V207-I211 HydrophobicContact CG1-CG1 4.43Å; V207-I211 WeakPolarHBondContact O-CG1 3.28Å; V207-I211 PolarHBondContact O-N 2.77Å
208	T	95.4	Very high	93.9	Very high	82 Å²	82	100.5 Å²	100.5	50%	0.503	50%	0.495	S	S	.	.	H	α-helix	trans	-61.9	-44	177.2	-57.2	0	0	0	0	111	F204 F205 Y210 I211 V212	F204-T208 WeakPolarHBondContact O-CB 3.33Å; F204-T208 PolarHBondContact O-N 2.02Å; F204-T208 PolarHBondContact O-OG1 2.85Å; F205-T208 PolarHBondContact O-N 3.02Å; T208-Y210 VanDerWaalsContact C-N 3.35Å; T208-Y210 PolarHBondContact O-N 3.06Å; T208-I211 PolarHBondContact O-N 3.23Å; T208-V212 HydrophobicContact CG2-CG2 4.49Å; T208-V212 VanDerWaalsContact O-CG2 3.3Å; T208-V212 WeakPolarHBondContact O-CG2 3.48Å; T208-V212 PolarHBondContact O-N 3.48Å
209	A	96.1	Very high	93.7	Very high	48 Å²	48	103.2 Å²	103.2	40%	0.397	50%	0.503	S	S	.	.	H	α-helix	trans	-61.2	-42.5	175.5	0	0	0	0	0	112	F205 M206 V207 V212 Y213	F205-A209 VanDerWaalsContact O-CB 3.25Å; F205-A209 WeakPolarHBondContact O-CB 3.46Å; F205-A209 PolarHBondContact O-N 2.96Å; M206-A209 PolarHBondContact O-N 2.92Å; V207-A209 PolarHBondContact O-N 3.15Å; A209-V212 PolarHBondContact O-N 3.03Å; A209-Y213 VanDerWaalsContact O-CB 3.28Å; A209-Y213 WeakPolarHBondContact O-CB 3.3Å; A209-Y213 PolarHBondContact O-N 2.79Å
210	Y	96.4	Very high	93.7	Very high	131 Å²	131	104.6 Å²	104.6	51%	0.514	50%	0.499	S	S	.	.	H	α-helix	trans	-62.4	-44.8	176.2	178.6	-97.6	0	0	0	112.3	M206 V207 T208 Y213 Y214	M206-Y210 WeakPolarHBondContact O-CB 3.47Å; M206-Y210 PolarHBondContact O-N 3.13Å; V207-Y210 PolarHBondContact O-N 3.23Å; T208-Y210 VanDerWaalsContact C-N 3.35Å; T208-Y210 PolarHBondContact O-N 3.06Å; Y210-Y213 PolarHBondContact O-N 3.06Å; Y210-Y214 VanDerWaalsContact O-CB 3.3Å; Y210-Y214 WeakPolarHBondContact O-CB 3.28Å; Y210-Y214 PolarHBondContact O-N 2.81Å
211	I	96	Very high	93.2	Very high	84 Å²	84	102.8 Å²	102.8	43%	0.431	49%	0.491	S	S	.	.	H	α-helix	trans	-62.7	-46.5	177.3	-69.4	169.4	0	0	0	110.5	V207 T208 Y213 Y214 I215	V207-I211 HydrophobicContact CG1-CD1 3.83Å; V207-I211 HydrophobicContact CG1-CG1 4.43Å; V207-I211 WeakPolarHBondContact O-CG1 3.28Å; V207-I211 PolarHBondContact O-N 2.77Å; T208-I211 PolarHBondContact O-N 3.23Å; I211-Y213 VanDerWaalsContact C-N 3.34Å; I211-Y213 PolarHBondContact O-N 3.03Å; I211-Y214 PolarHBondContact O-N 2.79Å; I211-I215 HydrophobicContact CG2-CD1 3.69Å; I211-I215 HydrophobicContact CG2-CG1 4.35Å; I211-I215 VanDerWaalsContact O-CG1 3.29Å; I211-I215 WeakPolarHBondContact O-CG1 3.31Å; I211-I215 PolarHBondContact O-N 3.48Å
212	V	95.4	Very high	92.5	Very high	88 Å²	88	99 Å²	99	53%	0.533	49%	0.485	S	S	.	.	H	α-helix	trans	-61.8	-44.3	178	171.6	0	0	0	0	110.9	T208 A209 I215 K216	T208-V212 HydrophobicContact CG2-CG2 4.49Å; T208-V212 VanDerWaalsContact O-CG2 3.3Å; T208-V212 WeakPolarHBondContact O-CG2 3.48Å; T208-V212 PolarHBondContact O-N 3.48Å; A209-V212 PolarHBondContact O-N 3.03Å; V212-I215 PolarHBondContact O-N 3.38Å; V212-K216 VanDerWaalsContact O-CB 3.3Å; V212-K216 WeakPolarHBondContact O-CB 3.35Å; V212-K216 PolarHBondContact O-N 3Å
213	Y	95.4	Very high	91.9	Very high	150 Å²	150	103.3 Å²	103.3	59%	0.588	49%	0.49	S	S	*	.	H	α-helix	trans	-58.1	-49.5	174.5	172.1	-95.2	0	0	0	111.3	A209 Y210 I211 I215 K216 H217	A209-Y213 VanDerWaalsContact O-CB 3.28Å; A209-Y213 WeakPolarHBondContact O-CB 3.3Å; A209-Y213 PolarHBondContact O-N 2.79Å; Y210-Y213 PolarHBondContact O-N 3.06Å; I211-Y213 VanDerWaalsContact C-N 3.34Å; I211-Y213 PolarHBondContact O-N 3.03Å; Y213-I215 PolarHBondContact O-N 3.06Å; Y213-K216 PolarHBondContact O-N 3.27Å; Y213-H217 VanDerWaalsContact O-CB 3.31Å; Y213-H217 WeakPolarHBondContact O-CB 3.17Å; Y213-H217 PolarHBondContact O-N 3.23Å
214	Y	94.2	Very high	91.1	Very high	127 Å²	127	102.2 Å²	102.2	50%	0.498	49%	0.486	S	S	.	.	H	α-helix	trans	-61.4	-46.5	-179.3	-176.7	-94.2	0	0	0	111.9	Y210 I211 K216 H217 N218	Y210-Y214 VanDerWaalsContact O-CB 3.3Å; Y210-Y214 WeakPolarHBondContact O-CB 3.28Å; Y210-Y214 PolarHBondContact O-N 2.81Å; I211-Y214 PolarHBondContact O-N 2.79Å; Y214-K216 PolarHBondContact O-N 3.26Å; Y214-H217 PolarHBondContact O-N 3Å; Y214-N218 WeakPolarHBondContact O-CB 3.38Å; Y214-N218 PolarHBondContact O-N 2.82Å
215	I	93.4	Very high	90.3	Very high	88 Å²	88	103.3 Å²	103.3	45%	0.451	49%	0.492	S	S	.	.	H	α-helix	trans	-60.6	-47.4	177.1	-68.6	168.6	0	0	0	110.4	I211 V212 Y213 H217 N218 Q219	I211-I215 HydrophobicContact CG2-CD1 3.69Å; I211-I215 HydrophobicContact CG2-CG1 4.35Å; I211-I215 VanDerWaalsContact O-CG1 3.29Å; I211-I215 WeakPolarHBondContact O-CG1 3.31Å; I211-I215 PolarHBondContact O-N 3.48Å; V212-I215 PolarHBondContact O-N 3.38Å; Y213-I215 PolarHBondContact O-N 3.06Å; I215-H217 VanDerWaalsContact C-N 3.35Å; I215-H217 PolarHBondContact O-N 2.96Å; I215-N218 PolarHBondContact O-N 3.4Å; I215-Q219 HydrophobicContact CG2-CG 4.48Å; I215-Q219 WeakPolarHBondContact O-CG 3.19Å; I215-Q219 PolarHBondContact O-N 3.17Å
216	K	91.3	Very high	89.2	Confident	128 Å²	128	101.2 Å²	101.2	56%	0.557	49%	0.486	S	S	*	.	H	α-helix	trans	-60.4	-46.6	179.7	-175.4	179.5	175.7	-176.4	0	111	V212 Y213 Y214 N218 Q219 E220	V212-K216 VanDerWaalsContact O-CB 3.3Å; V212-K216 WeakPolarHBondContact O-CB 3.35Å; V212-K216 PolarHBondContact O-N 3Å; Y213-K216 PolarHBondContact O-N 3.27Å; Y214-K216 PolarHBondContact O-N 3.26Å; K216-N218 PolarHBondContact O-N 3.5Å; K216-Q219 PolarHBondContact O-N 2.79Å; K216-E220 WeakPolarHBondContact CE-OE1 3.34Å; K216-E220 WeakPolarHBondContact O-CG 3.33Å; K216-E220 PolarHBondContact O-N 3.36Å
217	H	89.6	Confident	88.2	Confident	73 Å²	73	101 Å²	101	34%	0.338	48%	0.484	S	S	.	.	H	α-helix	trans	-59.6	-46	178	-172.3	63.4	0	0	0	111.9	Y213 Y214 I215 Q219 E220 D221	Y213-H217 VanDerWaalsContact O-CB 3.31Å; Y213-H217 WeakPolarHBondContact O-CB 3.17Å; Y213-H217 PolarHBondContact O-N 3.23Å; Y214-H217 PolarHBondContact O-N 3Å; I215-H217 VanDerWaalsContact C-N 3.35Å; I215-H217 PolarHBondContact O-N 2.96Å; H217-Q219 VanDerWaalsContact C-N 3.34Å; H217-Q219 PolarHBondContact O-N 2.73Å; H217-E220 WeakPolarHBondContact O-CB 3.47Å; H217-E220 PolarHBondContact O-N 2.6Å; H217-D221 IonicContact CD2-OD2 3.72Å; H217-D221 IonicContact NE2-OD2 3.83Å; H217-D221 PolarHBondContact O-N 3.03Å
218	N	88.3	Confident	87.1	Confident	83 Å²	83	105.9 Å²	105.9	44%	0.444	50%	0.498	S	S	.	.	H	α-helix	trans	-68.9	-33	-179	-141.1	6.1	0	0	0	112.3	Y214 I215 K216 A222	Y214-N218 WeakPolarHBondContact O-CB 3.38Å; Y214-N218 PolarHBondContact O-N 2.82Å; I215-N218 PolarHBondContact O-N 3.4Å; K216-N218 PolarHBondContact O-N 3.5Å; N218-A222 WeakPolarHBondContact O-CB 3.4Å; N218-A222 PolarHBondContact O-N 3.14Å
219	Q	87.2	Confident	86	Confident	139 Å²	139	107.7 Å²	107.7	65%	0.65	50%	0.504	S	S	*	.	H	α-helix	trans	-67.6	-39.1	171.4	-75.8	-164.5	-16.9	0	0	112.5	I215 K216 H217 A222 R223	I215-Q219 HydrophobicContact CG2-CG 4.48Å; I215-Q219 WeakPolarHBondContact O-CG 3.19Å; I215-Q219 PolarHBondContact O-N 3.17Å; K216-Q219 PolarHBondContact O-N 2.79Å; H217-Q219 VanDerWaalsContact C-N 3.34Å; H217-Q219 PolarHBondContact O-N 2.73Å; Q219-A222 PolarHBondContact O-N 3.14Å; Q219-R223 WeakPolarHBondContact O-CB 3.5Å; Q219-R223 PolarHBondContact O-N 3.34Å
220	E	85.9	Confident	84.9	Confident	88 Å²	88	113.3 Å²	113.3	41%	0.411	52%	0.519	S	S	.	.	H	α-helix	trans	-65	-39.7	175.7	-74.5	173.2	-173.5	0	0	112	K216 H217 R223 R224	K216-E220 WeakPolarHBondContact CE-OE1 3.34Å; K216-E220 WeakPolarHBondContact O-CG 3.33Å; K216-E220 PolarHBondContact O-N 3.36Å; H217-E220 WeakPolarHBondContact O-CB 3.47Å; H217-E220 PolarHBondContact O-N 2.6Å; E220-R223 PolarHBondContact O-N 3.15Å; E220-R224 PolarHBondContact O-N 3.29Å; E220-R224 VanDerWaalsContact O-N 3.08Å
221	D	79.8	Confident	83.7	Confident	42 Å²	42	111.3 Å²	111.3	23%	0.225	53%	0.525	C	S	.	.	H	α-helix	trans	-64.5	-49.2	173.9	-81.5	-18.3	0	0	0	111.6	H217 R223 R224 H225	H217-D221 IonicContact CD2-OD2 3.72Å; H217-D221 IonicContact NE2-OD2 3.83Å; H217-D221 PolarHBondContact O-N 3.03Å; D221-R223 VanDerWaalsContact C-N 3.25Å; D221-R223 PolarHBondContact O-N 3.21Å; D221-R224 PolarHBondContact O-N 2.92Å; D221-R224 VanDerWaalsContact O-N 3.13Å; D221-R224 IonicContact OD1-CZ 3.48Å; D221-R224 IonicContact OD1-NE 3.61Å; D221-R224 IonicContact OD1-NH1 2.59Å; D221-R224 IonicContact OD1-NH2 3.14Å; D221-R224 PolarHBondContact OD1-NH2 2.92Å; D221-H225 PolarHBondContact O-CD2 3.27Å; D221-H225 PolarHBondContact O-N 2.92Å
222	A	80.9	Confident	82.5	Confident	59 Å²	59	111.4 Å²	111.4	49%	0.488	53%	0.525	S	S	.	.	H	α-helix	trans	-58.7	-37.9	177.7	0	0	0	0	0	112.4	N218 Q219 H225 M226	N218-A222 WeakPolarHBondContact O-CB 3.4Å; N218-A222 PolarHBondContact O-N 3.14Å; Q219-A222 PolarHBondContact O-N 3.14Å; A222-H225 PolarHBondContact O-N 3.34Å; A222-M226 PolarHBondContact O-N 3.44Å; A222-M226 VanDerWaalsContact O-N 3.12Å
223	R	82.9	Confident	80.9	Confident	171 Å²	171	112.6 Å²	112.6	65%	0.645	54%	0.535	S	S	*	.	H	α-helix	trans	-63.3	-47	175.1	-173.7	178.3	-175.2	153	4	111.7	Q219 E220 D221 H225 M226 E227	Q219-R223 WeakPolarHBondContact O-CB 3.5Å; Q219-R223 PolarHBondContact O-N 3.34Å; E220-R223 PolarHBondContact O-N 3.15Å; D221-R223 VanDerWaalsContact C-N 3.25Å; D221-R223 PolarHBondContact O-N 3.21Å; R223-H225 VanDerWaalsContact C-N 3.34Å; R223-H225 PolarHBondContact O-N 3.33Å; R223-M226 PolarHBondContact O-N 3.19Å; R223-E227 IonicContact NE-OE1 3.25Å; R223-E227 PolarHBondContact NE-OE1 2.92Å; R223-E227 PolarHBondContact O-N 3.41Å
224	R	78.1	Confident	79	Confident	141 Å²	141	108.7 Å²	108.7	53%	0.532	53%	0.53	S	S	.	.	H	α-helix	trans	-60.5	-41	177.2	-79.8	-173.4	-83.9	151.5	-10.2	112.3	E220 D221 E227 Y228	E220-R224 PolarHBondContact O-N 3.29Å; E220-R224 VanDerWaalsContact O-N 3.08Å; D221-R224 PolarHBondContact O-N 2.92Å; D221-R224 VanDerWaalsContact O-N 3.13Å; D221-R224 IonicContact OD1-CZ 3.48Å; D221-R224 IonicContact OD1-NE 3.61Å; D221-R224 IonicContact OD1-NH1 2.59Å; D221-R224 IonicContact OD1-NH2 3.14Å; D221-R224 PolarHBondContact OD1-NH2 2.92Å; R224-E227 PolarHBondContact O-N 3.5Å; R224-Y228 PolarHBondContact O-N 3.15Å
225	H	78.8	Confident	77.2	Confident	126 Å²	126	108.2 Å²	108.2	58%	0.583	54%	0.54	S	S	*	.	H	α-helix	trans	-64.1	-39.5	176.4	-76.2	-69.4	0	0	0	112.9	D221 A222 R223 Y228 L229	D221-H225 PolarHBondContact O-CD2 3.27Å; D221-H225 PolarHBondContact O-N 2.92Å; A222-H225 PolarHBondContact O-N 3.34Å; R223-H225 VanDerWaalsContact C-N 3.34Å; R223-H225 PolarHBondContact O-N 3.33Å; H225-Y228 PolarHBondContact O-N 2.65Å; H225-L229 WeakPolarHBondContact O-CG 3.48Å; H225-L229 PolarHBondContact O-N 2.9Å
226	M	74	Confident	75.1	Confident	118 Å²	118	107.3 Å²	107.3	58%	0.581	54%	0.542	S	S	*	.	H	α-helix	trans	-65.4	-37.7	173.6	-98.6	-146	-74.2	0	0	112.8	A222 R223 L229 K230	A222-M226 PolarHBondContact O-N 3.44Å; A222-M226 VanDerWaalsContact O-N 3.12Å; R223-M226 PolarHBondContact O-N 3.19Å; M226-L229 PolarHBondContact O-N 2.84Å; M226-K230 WeakPolarHBondContact O-CG 2.98Å; M226-K230 PolarHBondContact O-N 2.97Å; M226-K230 VanDerWaalsContact O-N 3.08Å
227	E	76.4	Confident	73.1	Confident	106 Å²	106	107.8 Å²	107.8	50%	0.495	55%	0.546	S	S	.	.	H	α-helix	trans	-66.7	-38	176.1	-73.1	172.1	-172.4	0	0	111.7	R223 R224 K230 S231	R223-E227 IonicContact NE-OE1 3.25Å; R223-E227 PolarHBondContact NE-OE1 2.92Å; R223-E227 PolarHBondContact O-N 3.41Å; R224-E227 PolarHBondContact O-N 3.5Å; E227-K230 PolarHBondContact O-N 2.99Å; E227-S231 PolarHBondContact O-N 2.74Å; E227-S231 VanDerWaalsContact O-N 3.13Å
228	Y	73.9	Confident	71.2	Confident	152 Å²	152	109.7 Å²	109.7	60%	0.596	56%	0.557	S	S	*	*	H	α-helix	trans	-64.1	-41.7	172	-173.1	-89.4	0	0	0	112.7	R224 H225 K230 S231 L232	R224-Y228 PolarHBondContact O-N 3.15Å; H225-Y228 PolarHBondContact O-N 2.65Å; Y228-K230 PolarHBondContact O-N 3.25Å; Y228-S231 PolarHBondContact O-N 3.44Å; Y228-S231 PolarHBondContact O-OG 2.68Å; Y228-L232 HydrophobicContact CD1-CD1 3.99Å; Y228-L232 HydrophobicContact CE1-CD1 3.87Å; Y228-L232 HydrophobicContact CE1-CG 4.33Å; Y228-L232 PolarHBondContact O-N 2.72Å
229	L	71.4	Confident	69.1	Low	119 Å²	119	109.1 Å²	109.1	62%	0.623	56%	0.56	S	S	*	*	H	α-helix	trans	-63.9	-29.8	175.1	-73.1	170.6	0	0	0	112.8	H225 M226 L232	H225-L229 WeakPolarHBondContact O-CG 3.48Å; H225-L229 PolarHBondContact O-N 2.9Å; M226-L229 PolarHBondContact O-N 2.84Å; L229-L232 HydrophobicContact CD2-CD1 3.95Å
230	K	72.4	Confident	67	Low	167 Å²	167	109.7 Å²	109.7	73%	0.726	56%	0.56	S	S	*	*	H	α-helix	trans	-78.2	-25	175.5	-74.3	175.5	-179	178	0	113.7	M226 E227 Y228	M226-K230 WeakPolarHBondContact O-CG 2.98Å; M226-K230 PolarHBondContact O-N 2.97Å; M226-K230 VanDerWaalsContact O-N 3.08Å; E227-K230 PolarHBondContact O-N 2.99Å; Y228-K230 PolarHBondContact O-N 3.25Å
231	S	72.6	Confident	65.1	Low	89 Å²	89	111.8 Å²	111.8	62%	0.622	57%	0.574	S	S	*	*	H	α-helix	trans	-85.1	-12	177.3	65.1	0	0	0	0	113.4	E227 Y228	E227-S231 PolarHBondContact O-N 2.74Å; E227-S231 VanDerWaalsContact O-N 3.13Å; Y228-S231 PolarHBondContact O-N 3.44Å; Y228-S231 PolarHBondContact O-OG 2.68Å
232	L	70.6	Confident	63.7	Low	85 Å²	85	119 Å²	119	45%	0.445	60%	0.6	S	S	.	*	S	Bend	trans	-64.5	135.5	171.1	-83.1	152.6	0	0	0	110.2	Y228 L229 S234	Y228-L232 HydrophobicContact CD1-CD1 3.99Å; Y228-L232 HydrophobicContact CE1-CD1 3.87Å; Y228-L232 HydrophobicContact CE1-CG 4.33Å; Y228-L232 PolarHBondContact O-N 2.72Å; L229-L232 HydrophobicContact CD2-CD1 3.95Å; L232-S234 PolarHBondContact O-N 2.98Å
233	P	60.8	Low	62.2	Low	113 Å²	113	123.2 Å²	123.2	73%	0.734	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-60.5	130.2	-178.3	-15	26.8	0	0	0	110.2	T235	P233-T235 PolarHBondContact O-N 2.82Å
234	S	55.4	Low	60.7	Low	68 Å²	68	121 Å²	121	48%	0.476	62%	0.62	S	S	.	*	P	Polyproline II helix	trans	-68.5	130.1	173.9	69.6	0	0	0	0	109.9	L232 S236 H237	L232-S234 PolarHBondContact O-N 2.98Å; S234-S236 PolarHBondContact O-N 3.24Å; S234-S236 PolarHBondContact OG-OG 2.79Å; S234-H237 PolarHBondContact O-N 2.91Å; S234-H237 VanDerWaalsContact O-N 3.15Å
235	T	56.7	Low	59.3	Low	117 Å²	117	118.3 Å²	118.3	72%	0.718	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-59	-9.3	176.4	35.3	0	0	0	0	114	P233 H237 I238	P233-T235 PolarHBondContact O-N 2.82Å; T235-H237 VanDerWaalsContact C-N 3.27Å; T235-H237 PolarHBondContact O-N 3.39Å; T235-I238 PolarHBondContact O-N 3.36Å
236	S	50.7	Low	57.3	Low	70 Å²	70	121.5 Å²	121.5	49%	0.49	66%	0.664	S	S	.	*	G	3₁₀ helix	trans	-69.4	-15.5	173	58	0	0	0	0	114.9	S234	S234-S236 PolarHBondContact O-N 3.24Å; S234-S236 PolarHBondContact OG-OG 2.79Å
237	H	48.3	Very low	56.5	Low	137 Å²	137	121.7 Å²	121.7	63%	0.634	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-90.8	-18.1	172.6	-94	-81.5	0	0	0	113.6	S234 T235	S234-H237 PolarHBondContact O-N 2.91Å; S234-H237 VanDerWaalsContact O-N 3.15Å; T235-H237 VanDerWaalsContact C-N 3.27Å; T235-H237 PolarHBondContact O-N 3.39Å
238	I	50	Low	55.4	Low	114 Å²	114	122.5 Å²	122.5	59%	0.585	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-25.4	178.8	-66.3	170.9	0	0	0	111.4	T235	T235-I238 PolarHBondContact O-N 3.36Å
239	S	44.3	Very low	54.4	Low	71 Å²	71	120.8 Å²	120.8	50%	0.497	68%	0.681	S	S	.	*	S	Bend	trans	-80.3	-14.7	177.2	63.6	0	0	0	0	114
240	K	42.5	Very low	53.4	Low	150 Å²	150	120.9 Å²	120.9	65%	0.652	69%	0.685	S	S	*	*	S	Bend	trans	-82.6	-20.8	-179.2	-105	-178.8	176.9	176.4	0	114.2
241	D	47.5	Very low	52.2	Low	133 Å²	133	118.1 Å²	118.1	71%	0.711	68%	0.682	S	S	*	*	S	Bend	trans	-87.1	-7.2	178.5	-69.8	-21.6	0	0	0	113.1
242	Y	50.5	Low	50.8	Low	193 Å²	193	120 Å²	120	76%	0.757	69%	0.686	S	S	*	*	S	Bend	trans	-90.4	-18.1	175	-99.7	-86.3	0	0	0	114.1
243	D	48.9	Very low	49.4	Very low	147 Å²	147	122.5 Å²	122.5	79%	0.786	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	8.1	-176.5	-72.3	-19.2	0	0	0	113.9
244	T	50.4	Low	48.5	Very low	125 Å²	125	123.2 Å²	123.2	77%	0.767	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.6	7.9	176.4	-7.9	0	0	0	0	114.5
245	A	48.9	Very low	48	Very low	85 Å²	85	127.8 Å²	127.8	70%	0.702	72%	0.72	S	S	*	*			trans	-136.7	72	178.6	0	0	0	0	0	111.8
246	S	37.1	Very low	47.2	Very low	192 Å²	192	128.8 Å²	128.8	100%	1.343	72%	0.72	S	S	*	*			trans	-171.2	0	139.2	-162.7	0	0	0	0	112.3

Retrieved 246 of 246 residues in 118.2 ms (Link to these results)

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