A0A096M817_POEFO Loading...

Multivesicular body subunit 12Bb

Component of the ESCRT-I complex, a regulator of vesicular trafficking process. Required for the sorting of endocytic ubiquitinated cargos into multivesicular bodies.

AlphaFold DB (A0A3B3V2J1), UniProt , Accession A0A096M817, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 244 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.2	Very low	60	Low	249 Å²	249	107.4 Å²	107.4	100%	1.227	56%	0.563	S	S	*	*				0	99.2	0	-154.5	172.9	-127.9	0	0	105.4
2	S	36.8	Very low	63.2	Low	94 Å²	94	99 Å²	99	66%	0.657	52%	0.52	S	S	*	.			trans	-68.6	148.8	-166.4	36.2	0	0	0	0	112.2	E4	S2-E4 PolarHBondContact O-N 3.18Å
3	E	33.8	Very low	65.9	Low	186 Å²	186	93.6 Å²	93.6	87%	0.869	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-62.5	11.3	-174.5	-58.8	-173.8	139.4	0	0	115.7	S5	E3-S5 VanDerWaalsContact C-N 3.35Å
4	E	39.4	Very low	68.2	Low	163 Å²	163	88.3 Å²	88.3	76%	0.762	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-84	-10.1	-176.6	-135.5	164.5	-166.4	0	0	113.2	S2 N6	S2-E4 PolarHBondContact O-N 3.18Å; E4-N6 PolarHBondContact O-N 3.11Å; E4-N6 VanDerWaalsContact O-N 3.13Å
5	S	42.5	Very low	70.2	Confident	57 Å²	57	82.4 Å²	82.4	40%	0.399	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-70	-5.4	179.5	-157.2	0	0	0	0	114.1	E3 R145	E3-S5 VanDerWaalsContact C-N 3.35Å; S5-R145 PolarHBondContact O-NH1 3.47Å
6	N	44.3	Very low	72	Confident	133 Å²	133	77.3 Å²	77.3	71%	0.711	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-93.1	0.5	-176.5	-81.8	-25.9	0	0	0	115.5	E4	E4-N6 PolarHBondContact O-N 3.11Å; E4-N6 VanDerWaalsContact O-N 3.13Å
7	K	59.8	Low	73.5	Confident	200 Å²	200	72.7 Å²	72.7	87%	0.87	39%	0.388	S	S	*	.			trans	-145	57.9	171.6	-75.2	-169.2	177.8	-178.5	0	113.3	G9	K7-G9 PolarHBondContact O-N 3.23Å
8	L	81.4	Confident	74.8	Confident	56 Å²	56	68.8 Å²	68.8	29%	0.293	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-77	123.4	167.7	-65.8	170.4	0	0	0	109.4	C116 D117	L8-C116 HydrophobicContact CB-CB 4.38Å; L8-C116 WeakPolarHBondContact O-CB 3.47Å; L8-D117 HydrophobicContact CD1-CB 3.69Å
9	G	90.3	Very high	75.9	Confident	34 Å²	34	66.5 Å²	66.5	35%	0.351	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-71.1	164.6	177.7	0	0	0	0	0	113	K7 I11	K7-G9 PolarHBondContact O-N 3.23Å; G9-I11 PolarHBondContact O-N 2.89Å
10	P	96.8	Very high	76.8	Confident	9 Å²	9	66.7 Å²	66.7	6%	0.058	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-56.9	135	178.6	-27.3	36.3	0	0	0	113.1	V65 A114 V149	P10-V65 HydrophobicContact CB-CB 4.27Å; P10-V65 HydrophobicContact CB-CG1 3.62Å; P10-A114 HydrophobicContact CB-CB 3.91Å; P10-V149 HydrophobicContact CG-CB 4.44Å; P10-V149 HydrophobicContact CG-CG1 4.3Å; P10-V149 HydrophobicContact CG-CG2 4.27Å
11	I	98.3	Very high	77.5	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-75.5	127.3	170.6	-70.9	172.3	0	0	0	108.3	G9 A13 V14 F57 S58 R59 V66 V115 I118	G9-I11 PolarHBondContact O-N 2.89Å; I11-A13 WeakPolarHBondContact CG2-O 3.13Å; I11-V14 HydrophobicContact CG2-CG2 3.89Å; I11-F57 HydrophobicContact CD1-CB 4.33Å; I11-F57 HydrophobicContact CD1-CD1 4.36Å; I11-F57 HydrophobicContact CD1-CD2 3.61Å; I11-F57 HydrophobicContact CD1-CE2 4.05Å; I11-F57 HydrophobicContact CD1-CG 3.82Å; I11-F57 HydrophobicContact CG1-CD2 3.81Å; I11-F57 HydrophobicContact CG1-CE2 4.38Å; I11-F57 HydrophobicContact CG1-CG 4.35Å; I11-F57 HydrophobicContact CG2-CB 3.85Å; I11-F57 HydrophobicContact CG2-CD2 4.43Å; I11-F57 HydrophobicContact CG2-CG 4.43Å; I11-S58 CarbonylContact C-O 3.52Å; I11-S58 WeakPolarHBondContact CA-O 3.49Å; I11-S58 WeakPolarHBondContact CG2-O 3.48Å; I11-R59 HydrophobicContact CG1-CG 3.88Å; I11-V66 HydrophobicContact CG2-CB 4.37Å; I11-V66 HydrophobicContact CG2-CG2 3.96Å; I11-V66 PolarHBondContact O-N 2.89Å; I11-V115 HydrophobicContact CB-CG1 4.49Å; I11-V115 VanDerWaalsContact CB-O 3.31Å; I11-V115 WeakPolarHBondContact CB-O 3.4Å; I11-V115 HydrophobicContact CD1-CG1 3.97Å; I11-V115 PolarHBondContact N-O 3.16Å; I11-I118 HydrophobicContact CD1-CD1 3.82Å; I11-I118 HydrophobicContact CD1-CG1 3.82Å
12	S	97.7	Very high	79.9	Confident	7 Å²	7	63.9 Å²	63.9	5%	0.049	35%	0.346	C	S	.	.			trans	-102.4	-17	-177.5	48.4	0	0	0	0	113.9	S58 K60 E64 M105	S12-S58 PolarHBondContact N-O 3.4Å; S12-S58 PolarHBondContact OG-O 3.13Å; S12-K60 VanDerWaalsContact CB-O 3.23Å; S12-K60 WeakPolarHBondContact CB-O 2.83Å; S12-K60 PolarHBondContact OG-N 3.09Å; S12-K60 PolarHBondContact OG-O 2.97Å; S12-E64 WeakPolarHBondContact CB-O 3.42Å; S12-M105 WeakPolarHBondContact O-CE 3.1Å
13	A	98.2	Very high	82.5	Confident	29 Å²	29	62.9 Å²	62.9	24%	0.24	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	148.1	175.1	0	0	0	0	0	110.7	I11 F27 F57 S58	I11-A13 WeakPolarHBondContact CG2-O 3.13Å; A13-F27 HydrophobicContact CB-CE1 4.09Å; A13-F27 HydrophobicContact CB-CZ 3.85Å; A13-F57 CarbonylContact O-C 3.46Å; A13-F57 WeakPolarHBondContact O-CA 3.42Å; A13-F57 VanDerWaalsContact O-CB 3.29Å; A13-F57 WeakPolarHBondContact O-CB 3.46Å; A13-S58 PolarHBondContact O-N 3.06Å
14	V	98.7	Very high	85.3	Confident	19 Å²	19	55.8 Å²	55.8	12%	0.115	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	140.3	171.6	170.3	0	0	0	0	108.1	I11 L55 C56 F57 V66 M69 L101 V103 I118	I11-V14 HydrophobicContact CG2-CG2 3.89Å; V14-L55 HydrophobicContact CG1-CG 4.49Å; V14-C56 WeakPolarHBondContact CA-O 3.38Å; V14-F57 HydrophobicContact CG2-CB 4.01Å; V14-V66 HydrophobicContact CG2-CG2 4.08Å; V14-M69 HydrophobicContact CG1-CE 3.89Å; V14-M69 HydrophobicContact CG2-CE 4.27Å; V14-M69 HydrophobicContact CG2-SD 4.06Å; V14-L101 HydrophobicContact CG1-CD2 3.99Å; V14-V103 HydrophobicContact CB-CG2 4.02Å; V14-V103 HydrophobicContact CG1-CG2 4.2Å; V14-I118 HydrophobicContact CG2-CD1 3.71Å
15	G	98.1	Very high	87.8	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	-178.3	177	0	0	0	0	0	112.1	C56	G15-C56 PolarHBondContact N-O 2.97Å; G15-C56 PolarHBondContact O-N 2.78Å; G15-C56 VanDerWaalsContact O-O 3.06Å; G15-C56 PolarHBondContact O-SG 3.46Å; G15-C56 VanDerWaalsContact O-SG 3.32Å
16	I	98.4	Very high	90.2	Very high	0 Å²	0	53 Å²	53	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	141.3	174.1	-56.6	-60	0	0	0	108.7	L41 R53 Y54 L55 V85 T88 L89 A95 L101	I16-L41 HydrophobicContact CD1-CD1 4.16Å; I16-R53 HydrophobicContact CG2-CB 3.73Å; I16-R53 HydrophobicContact CG2-CG 4.14Å; I16-Y54 CarbonylContact C-O 3.56Å; I16-Y54 WeakPolarHBondContact CA-O 3.21Å; I16-L55 HydrophobicContact CD1-CB 4.22Å; I16-V85 HydrophobicContact CG1-CG1 4.02Å; I16-T88 HydrophobicContact CG2-CG2 4.15Å; I16-T88 CarbonylContact O-C 3.57Å; I16-T88 WeakPolarHBondContact O-CA 3.48Å; I16-L89 PolarHBondContact O-N 3.22Å; I16-A95 HydrophobicContact CB-CB 4.04Å; I16-A95 HydrophobicContact CG1-CB 3.95Å; I16-L101 HydrophobicContact CD1-CD2 4.05Å
17	V	98.3	Very high	92.7	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	148.4	170.3	-69.5	0	0	0	0	110.6	P24 V29 R53 Y54 C56 L89 D90	V17-P24 HydrophobicContact CG1-CG 4.41Å; V17-V29 HydrophobicContact CG2-CG1 3.96Å; V17-V29 HydrophobicContact CG2-CG2 4.1Å; V17-R53 WeakPolarHBondContact O-CA 3.38Å; V17-Y54 PolarHBondContact N-O 2.93Å; V17-Y54 PolarHBondContact O-N 3.24Å; V17-C56 HydrophobicContact CG2-CB 4.48Å; V17-L89 HydrophobicContact CG1-CB 4.25Å; V17-D90 WeakPolarHBondContact CA-OD1 3.49Å
18	S	97.1	Very high	94.4	Very high	2 Å²	2	46 Å²	46	1%	0.014	26%	0.256	C	S	.	.	S	Bend	trans	-89.6	-24.7	175.4	80.5	0	0	0	0	113.2	T52 D90 K91	S18-T52 WeakPolarHBondContact CA-O 3.48Å; S18-T52 PolarHBondContact O-OG1 2.94Å; S18-D90 PolarHBondContact N-OD1 3.39Å; S18-D90 PolarHBondContact N-OD2 2.89Å; S18-D90 PolarHBondContact OG-OD1 2.96Å; S18-D90 PolarHBondContact OG-OD2 3.21Å; S18-K91 WeakPolarHBondContact OG-CD 3.44Å; S18-K91 WeakPolarHBondContact OG-CE 3.31Å; S18-K91 PolarHBondContact OG-NZ 3.45Å
19	S	94.5	Very high	95.2	Very high	25 Å²	25	44.5 Å²	44.5	18%	0.175	25%	0.249	C	C	.	.			trans	-130.3	135.7	-175.3	-172.6	0	0	0	0	112.5	T21 D90	S19-T21 PolarHBondContact O-N 3.26Å; S19-T21 PolarHBondContact OG-N 2.76Å; S19-T21 PolarHBondContact OG-OG1 3.29Å; S19-D90 PolarHBondContact N-OD2 3.25Å
20	L	94	Very high	95.6	Very high	70 Å²	70	43.8 Å²	43.8	37%	0.366	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-8.9	174.2	-58.2	-176.1	0	0	0	113.4	I23 V29 T31 Y54	L20-I23 VanDerWaalsContact O-CD1 3.3Å; L20-I23 WeakPolarHBondContact O-CD1 3.32Å; L20-I23 WeakPolarHBondContact O-CG1 3.44Å; L20-V29 HydrophobicContact CD2-CG1 3.72Å; L20-T31 HydrophobicContact CD1-CG2 3.94Å; L20-T31 HydrophobicContact CD2-CG2 3.62Å; L20-T31 HydrophobicContact CG-CG2 4.4Å; L20-Y54 HydrophobicContact CD1-CE1 4.47Å; L20-Y54 HydrophobicContact CD1-CE2 4.18Å; L20-Y54 HydrophobicContact CD2-CD1 4.23Å; L20-Y54 HydrophobicContact CD2-CD2 3.49Å; L20-Y54 VanDerWaalsContact CD2-CD2 3.49Å; L20-Y54 HydrophobicContact CD2-CE2 3.82Å; L20-Y54 HydrophobicContact CD2-CG 3.71Å; L20-Y54 HydrophobicContact CG-CD2 4.02Å; L20-Y54 HydrophobicContact CG-CE2 3.82Å
21	T	92.5	Very high	95.6	Very high	125 Å²	125	45.8 Å²	45.8	77%	0.767	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-11.5	178.1	59.9	0	0	0	0	113.6	S19	S19-T21 PolarHBondContact O-N 3.26Å; S19-T21 PolarHBondContact OG-N 2.76Å; S19-T21 PolarHBondContact OG-OG1 3.29Å
22	K	88.1	Confident	95.6	Very high	133 Å²	133	51.3 Å²	51.3	58%	0.578	28%	0.276	S	S	*	.	S	Bend	trans	-124	51.6	-176.9	-65.3	-171.5	177.3	-173.6	0	110.7	D90	K22-D90 HydrophobicContact CB-CB 4.21Å
23	I	91.4	Very high	95.5	Very high	72 Å²	72	51.3 Å²	51.3	37%	0.369	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-77	126.5	-178.9	-56	173.5	0	0	0	108.4	L20 F27 V29	L20-I23 VanDerWaalsContact O-CD1 3.3Å; L20-I23 WeakPolarHBondContact O-CD1 3.32Å; L20-I23 WeakPolarHBondContact O-CG1 3.44Å; I23-F27 HydrophobicContact CG2-CB 4.15Å; I23-F27 WeakPolarHBondContact CG2-O 3.3Å; I23-V29 HydrophobicContact CB-CG2 4.24Å; I23-V29 HydrophobicContact CD1-CB 4.31Å; I23-V29 HydrophobicContact CD1-CG2 3.55Å; I23-V29 HydrophobicContact CG1-CG2 3.7Å; I23-V29 HydrophobicContact CG2-CG2 3.54Å
24	P	91.5	Very high	95.3	Very high	38 Å²	38	53.3 Å²	53.3	25%	0.247	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-58.6	146.2	174.6	-23.6	33.5	0	0	0	112.3	V17 G26 F27 L89	V17-P24 HydrophobicContact CG1-CG 4.41Å; P24-G26 PolarHBondContact O-N 3.24Å; P24-F27 HydrophobicContact CB-CD2 3.79Å; P24-F27 HydrophobicContact CB-CE2 4.31Å; P24-F27 HydrophobicContact CB-CG 4.34Å; P24-F27 WeakPolarHBondContact O-CB 3.42Å; P24-F27 PolarHBondContact O-N 3.27Å; P24-F27 VanDerWaalsContact O-N 3.13Å; P24-L89 HydrophobicContact CG-CB 3.78Å; P24-L89 HydrophobicContact CG-CD1 4.13Å
25	D	92.4	Very high	95	Very high	133 Å²	133	55.3 Å²	55.3	71%	0.711	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	130.7	-177.6	177.7	56	0	0	0	112.6	F27 K60	D25-F27 VanDerWaalsContact C-N 3.31Å; D25-K60 PolarHBondContact O-NZ 3.18Å; D25-K60 IonicContact OD2-NZ 3.66Å; D25-K60 PolarHBondContact OD2-NZ 2.87Å
26	G	92.3	Very high	94.8	Very high	28 Å²	28	57.2 Å²	57.2	29%	0.289	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	5.1	-178.5	0	0	0	0	0	115.9	P24 S58	P24-G26 PolarHBondContact O-N 3.24Å; G26-S58 PolarHBondContact O-OG 3.32Å
27	F	96.4	Very high	94.6	Very high	47 Å²	47	60.1 Å²	60.1	21%	0.206	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	136.6	172.2	-78.9	-105	0	0	0	111.6	A13 I23 P24 D25 C56 F57 L89	A13-F27 HydrophobicContact CB-CE1 4.09Å; A13-F27 HydrophobicContact CB-CZ 3.85Å; I23-F27 HydrophobicContact CG2-CB 4.15Å; I23-F27 WeakPolarHBondContact CG2-O 3.3Å; P24-F27 HydrophobicContact CB-CD2 3.79Å; P24-F27 HydrophobicContact CB-CE2 4.31Å; P24-F27 HydrophobicContact CB-CG 4.34Å; P24-F27 WeakPolarHBondContact O-CB 3.42Å; P24-F27 PolarHBondContact O-N 3.27Å; P24-F27 VanDerWaalsContact O-N 3.13Å; D25-F27 VanDerWaalsContact C-N 3.31Å; F27-C56 HydrophobicContact CB-CB 4.44Å; F27-C56 HydrophobicContact CD1-CB 4.16Å; F27-F57 CarbonylContact C-O 3.48Å; F27-F57 WeakPolarHBondContact CA-O 3.17Å; F27-L89 HydrophobicContact CD1-CD1 3.99Å; F27-L89 HydrophobicContact CE1-CD1 3.6Å; F27-L89 HydrophobicContact CE2-CD1 4.44Å; F27-L89 HydrophobicContact CZ-CD1 3.85Å
28	Y	96.8	Very high	94.5	Very high	138 Å²	138	64.1 Å²	64.1	54%	0.541	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	134.4	167.2	-59.8	-87.8	0	0	0	108.3	C56 F57	Y28-C56 CarbonylContact O-C 3.52Å; Y28-C56 WeakPolarHBondContact O-CA 3.19Å; Y28-C56 VanDerWaalsContact O-CB 3.29Å; Y28-C56 WeakPolarHBondContact O-CB 3.26Å; Y28-F57 HydrophobicContact CD2-CD2 4.43Å; Y28-F57 AromaticContact CD2-CE2 3.92Å; Y28-F57 HydrophobicContact CD2-CE2 3.92Å; Y28-F57 HydrophobicContact CG-CE2 4.11Å; Y28-F57 HydrophobicContact CG-CZ 4.49Å; Y28-F57 PolarHBondContact N-O 2.96Å; Y28-F57 PolarHBondContact O-N 3.03Å
29	V	98.1	Very high	94.5	Very high	26 Å²	26	64 Å²	64	16%	0.158	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	130.8	178.9	-172.5	0	0	0	0	109.2	V17 L20 I23 T31 Y54 C56	V17-V29 HydrophobicContact CG2-CG1 3.96Å; V17-V29 HydrophobicContact CG2-CG2 4.1Å; L20-V29 HydrophobicContact CD2-CG1 3.72Å; I23-V29 HydrophobicContact CB-CG2 4.24Å; I23-V29 HydrophobicContact CD1-CB 4.31Å; I23-V29 HydrophobicContact CD1-CG2 3.55Å; I23-V29 HydrophobicContact CG1-CG2 3.7Å; I23-V29 HydrophobicContact CG2-CG2 3.54Å; V29-T31 HydrophobicContact CB-CG2 4.12Å; V29-T31 HydrophobicContact CG1-CG2 3.9Å; V29-T31 PolarHBondContact O-N 3.05Å; V29-Y54 VanDerWaalsContact CG1-CB 3.49Å; V29-Y54 HydrophobicContact CG1-CG 4.29Å; V29-C56 HydrophobicContact CB-CB 4.36Å; V29-C56 HydrophobicContact CG1-CB 4.49Å; V29-C56 HydrophobicContact CG2-CB 3.85Å
30	V	97.9	Very high	94.6	Very high	18 Å²	18	63.2 Å²	63.2	11%	0.109	35%	0.349	C	S	.	.			trans	-82.8	92.3	172.1	-170.4	0	0	0	0	107.4	L55 F57 I120	V30-L55 HydrophobicContact CG2-CD2 3.95Å; V30-L55 PolarHBondContact N-O 3.03Å; V30-F57 HydrophobicContact CG2-CD1 4.21Å; V30-F57 HydrophobicContact CG2-CE1 3.78Å; V30-I120 HydrophobicContact CB-CD1 4.04Å; V30-I120 HydrophobicContact CG1-CB 4.27Å; V30-I120 HydrophobicContact CG1-CD1 3.69Å; V30-I120 HydrophobicContact CG1-CG1 3.91Å
31	T	97.4	Very high	94.8	Very high	51 Å²	51	60.1 Å²	60.1	31%	0.313	33%	0.333	S	S	.	.			trans	-88.4	-22.6	-176.1	57.6	0	0	0	0	113.1	L20 V29 A39	L20-T31 HydrophobicContact CD1-CG2 3.94Å; L20-T31 HydrophobicContact CD2-CG2 3.62Å; L20-T31 HydrophobicContact CG-CG2 4.4Å; V29-T31 HydrophobicContact CB-CG2 4.12Å; V29-T31 HydrophobicContact CG1-CG2 3.9Å; V29-T31 PolarHBondContact O-N 3.05Å; T31-A39 PolarHBondContact O-N 2.58Å
32	Q	96.8	Very high	94.9	Very high	116 Å²	116	55.8 Å²	55.8	54%	0.542	30%	0.303	S	S	.	.	B	Isolated β-bridge	trans	-132.3	149.8	-178.4	-67.3	178.4	10.2	0	0	111	S37	Q32-S37 CarbonylContact C-O 3.59Å; Q32-S37 WeakPolarHBondContact CA-O 3.5Å
33	T	96.3	Very high	95	Very high	8 Å²	8	54 Å²	54	5%	0.049	30%	0.295	C	S	.	.			trans	-74.5	169	168.2	73.3	0	0	0	0	110.2	D35 G36 S37 A39 I120 M140	T33-D35 PolarHBondContact O-N 2.73Å; T33-D35 PolarHBondContact OG1-OD1 3.45Å; T33-G36 PolarHBondContact O-N 3.46Å; T33-S37 PolarHBondContact N-O 3.27Å; T33-S37 PolarHBondContact OG1-N 3.31Å; T33-A39 HydrophobicContact CG2-CB 4.17Å; T33-I120 CarbonylContact C-O 3.56Å; T33-I120 WeakPolarHBondContact CA-O 3.34Å; T33-I120 VanDerWaalsContact CB-O 3.29Å; T33-I120 WeakPolarHBondContact CB-O 3.46Å; T33-I120 HydrophobicContact CG2-CB 4.49Å; T33-I120 HydrophobicContact CG2-CG2 3.87Å; T33-M140 HydrophobicContact CG2-CG 4.22Å; T33-M140 HydrophobicContact CG2-SD 3.45Å; T33-M140 WeakPolarHBondContact CG2-SD 3.47Å
34	T	94.4	Very high	94.8	Very high	70 Å²	70	53.5 Å²	53.5	43%	0.429	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-12.7	-178.8	56.6	0	0	0	0	114.6	Q119 I120 T121 L128	T34-Q119 HydrophobicContact CG2-CB 4.19Å; T34-I120 PolarHBondContact N-O 3.25Å; T34-T121 HydrophobicContact CG2-CG2 4.12Å; T34-T121 WeakPolarHBondContact OG1-CG2 3.06Å; T34-L128 HydrophobicContact CG2-CD2 4.48Å
35	D	91.8	Very high	94.6	Very high	61 Å²	61	52.8 Å²	52.8	33%	0.326	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	3.3	172.4	69.2	24.4	0	0	0	114.3	T33 S37 A122	T33-D35 PolarHBondContact O-N 2.73Å; T33-D35 PolarHBondContact OG1-OD1 3.45Å; D35-S37 VanDerWaalsContact OD1-CB 3.22Å; D35-S37 WeakPolarHBondContact OD1-CB 3.36Å; D35-S37 PolarHBondContact OD1-N 3.46Å; D35-S37 PolarHBondContact OD1-OG 3.4Å; D35-A122 VanDerWaalsContact OD2-CB 3.27Å; D35-A122 WeakPolarHBondContact OD2-CB 3.34Å
36	G	93.6	Very high	94.3	Very high	40 Å²	40	54 Å²	54	41%	0.412	30%	0.299	S	S	.	.	S	Bend	trans	90.7	-3.3	178.6	0	0	0	0	0	114.9	T33	T33-G36 PolarHBondContact O-N 3.46Å
37	S	95.1	Very high	94.3	Very high	62 Å²	62	61.9 Å²	61.9	43%	0.434	33%	0.325	S	S	.	.			trans	-69.8	155.8	175.3	-52.6	0	0	0	0	112.1	Q32 T33 D35 A39	Q32-S37 CarbonylContact C-O 3.59Å; Q32-S37 WeakPolarHBondContact CA-O 3.5Å; T33-S37 PolarHBondContact N-O 3.27Å; T33-S37 PolarHBondContact OG1-N 3.31Å; D35-S37 VanDerWaalsContact OD1-CB 3.22Å; D35-S37 WeakPolarHBondContact OD1-CB 3.36Å; D35-S37 PolarHBondContact OD1-N 3.46Å; D35-S37 PolarHBondContact OD1-OG 3.4Å; S37-A39 PolarHBondContact O-N 3.28Å
38	D	96.6	Very high	93.9	Very high	83 Å²	83	66.6 Å²	66.6	44%	0.444	35%	0.346	S	S	.	.	B	Isolated β-bridge	trans	-57.2	132	175.7	-174	47.4	0	0	0	112.2	D40 Y54	D38-D40 WeakPolarHBondContact OD2-CB 3.3Å; D38-Y54 WeakPolarHBondContact OD1-CE1 3.36Å; D38-Y54 PolarHBondContact OD1-OH 2.9Å
39	A	96.9	Very high	93.7	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	36%	0.356	C	S	.	.			trans	-98.7	32.7	-176.7	0	0	0	0	0	113.8	T31 T33 S37 L41 I120	T31-A39 PolarHBondContact O-N 2.58Å; T33-A39 HydrophobicContact CG2-CB 4.17Å; S37-A39 PolarHBondContact O-N 3.28Å; A39-L41 PolarHBondContact O-N 3.43Å; A39-L41 VanDerWaalsContact O-N 3.14Å; A39-I120 HydrophobicContact CB-CD1 4.02Å; A39-I120 HydrophobicContact CB-CG2 4.48Å
40	D	97.2	Very high	93.5	Very high	9 Å²	9	70.6 Å²	70.6	5%	0.048	38%	0.377	C	S	.	.			trans	-66	110.1	174.8	-177.4	8.8	0	0	0	111.3	D38 W42 T52 R53 Y54 N138 M140	D38-D40 WeakPolarHBondContact OD2-CB 3.3Å; D40-W42 PolarHBondContact O-N 3.29Å; D40-W42 WeakPolarHBondContact OD1-CB 3.47Å; D40-W42 PolarHBondContact OD1-N 3.09Å; D40-T52 WeakPolarHBondContact OD1-CA 3.46Å; D40-T52 WeakPolarHBondContact OD2-CG2 3.35Å; D40-R53 PolarHBondContact OD1-N 3.34Å; D40-Y54 HydrophobicContact CB-CE1 4.2Å; D40-N138 PolarHBondContact O-ND2 3.05Å; D40-M140 VanDerWaalsContact C-CE 3.49Å; D40-M140 WeakPolarHBondContact O-CE 3.39Å
41	L	96.6	Very high	93.3	Very high	5 Å²	5	71.6 Å²	71.6	3%	0.026	38%	0.383	C	S	.	.			trans	-74.3	-8.7	-178.1	-59.5	-173.2	0	0	0	113	I16 A39 R53 L55 M96 I120 I137 M140 I142	I16-L41 HydrophobicContact CD1-CD1 4.16Å; A39-L41 PolarHBondContact O-N 3.43Å; A39-L41 VanDerWaalsContact O-N 3.14Å; L41-R53 HydrophobicContact CB-CB 4.49Å; L41-R53 WeakPolarHBondContact CB-O 3.43Å; L41-R53 PolarHBondContact N-O 2.92Å; L41-L55 HydrophobicContact CD1-CB 3.96Å; L41-M96 HydrophobicContact CD1-CE 4.32Å; L41-I120 HydrophobicContact CD2-CD1 3.87Å; L41-I137 HydrophobicContact CB-CG2 4.09Å; L41-I137 HydrophobicContact CD2-CG2 3.79Å; L41-I137 HydrophobicContact CG-CG2 4.39Å; L41-M140 HydrophobicContact CD2-CE 3.74Å; L41-I142 HydrophobicContact CD1-CD1 4.02Å; L41-I142 HydrophobicContact CD2-CD1 4.22Å; L41-I142 HydrophobicContact CD2-CG1 4.41Å
42	W	95.4	Very high	93.3	Very high	34 Å²	34	70.9 Å²	70.9	13%	0.129	38%	0.379	C	S	.	.			trans	-91.1	126.5	-178.3	-167	-87.6	0	0	0	112.1	D40 D44 V51 R53 R97 N138	D40-W42 PolarHBondContact O-N 3.29Å; D40-W42 WeakPolarHBondContact OD1-CB 3.47Å; D40-W42 PolarHBondContact OD1-N 3.09Å; W42-D44 PolarHBondContact O-N 3.36Å; W42-V51 VanDerWaalsContact CB-O 3.27Å; W42-V51 WeakPolarHBondContact CB-O 3.45Å; W42-V51 VanDerWaalsContact CD1-O 3.23Å; W42-V51 HydrophobicContact CD2-CB 4.2Å; W42-V51 HydrophobicContact CD2-CG1 3.75Å; W42-V51 HydrophobicContact CE3-CG1 4.23Å; W42-V51 HydrophobicContact CG-CB 4.11Å; W42-V51 HydrophobicContact CG-CG1 4Å; W42-V51 HydrophobicContact CH2-CG1 4.32Å; W42-V51 HydrophobicContact CZ2-CB 4.3Å; W42-V51 HydrophobicContact CZ2-CG1 3.95Å; W42-V51 HydrophobicContact CZ3-CG1 4.47Å; W42-R53 HydrophobicContact CB-CB 4.11Å; W42-R53 HydrophobicContact CB-CG 3.97Å; W42-R53 HydrophobicContact CD2-CG 4.2Å; W42-R53 HydrophobicContact CE3-CG 3.52Å; W42-R53 HydrophobicContact CG-CG 4.43Å; W42-R53 HydrophobicContact CZ3-CG 4.21Å; W42-R97 HydrophobicContact CD2-CB 4.47Å; W42-R97 HydrophobicContact CE3-CB 4.16Å; W42-R97 HydrophobicContact CH2-CB 3.6Å; W42-R97 HydrophobicContact CH2-CG 4.34Å; W42-R97 HydrophobicContact CZ2-CB 3.83Å; W42-R97 HydrophobicContact CZ2-CG 4.31Å; W42-R97 HydrophobicContact CZ3-CB 3.76Å; W42-N138 PolarHBondContact O-ND2 2.87Å
43	K	89.4	Confident	93.3	Very high	95 Å²	95	65.8 Å²	65.8	41%	0.413	36%	0.355	S	S	.	.			trans	-90.1	107.4	172.4	-173.1	158.1	177.5	171.9	0	110.8	N138	K43-N138 HydrophobicContact CB-CB 4.45Å; K43-N138 VanDerWaalsContact CB-OD1 3.32Å; K43-N138 WeakPolarHBondContact CB-OD1 3.28Å
44	D	88.5	Confident	93.4	Very high	61 Å²	61	66.2 Å²	66.2	33%	0.326	36%	0.355	S	S	.	.			trans	-61.5	157.7	174.4	-71	-38.1	0	0	0	112.9	W42 K50 V51	W42-D44 PolarHBondContact O-N 3.36Å; D44-K50 WeakPolarHBondContact OD2-CG 3.21Å; D44-V51 PolarHBondContact OD1-N 3.01Å
45	G	87.6	Confident	93.6	Very high	24 Å²	24	62.9 Å²	62.9	25%	0.247	34%	0.335	C	S	.	.			trans	-103.6	150.3	172.2	0	0	0	0	0	110.9	F47 K48	G45-F47 PolarHBondContact O-N 2.83Å; G45-K48 PolarHBondContact O-N 2.52Å; G45-K48 VanDerWaalsContact O-N 3.1Å
46	L	85.8	Confident	93.9	Very high	158 Å²	158	60 Å²	60	83%	0.827	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-20.4	-175	-171.8	59	0	0	0	115
47	F	91.1	Very high	94.2	Very high	194 Å²	194	58.5 Å²	58.5	85%	0.851	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.1	27.2	179.9	-55.1	-68.9	0	0	0	112.9	G45	G45-F47 PolarHBondContact O-N 2.83Å
48	K	89	Confident	94.3	Very high	145 Å²	145	55.7 Å²	55.7	63%	0.63	28%	0.282	S	S	*	.	S	Bend	trans	-120.1	149.8	179.5	-62.6	-166.7	177.9	-164.6	0	110.3	G45	G45-K48 PolarHBondContact O-N 2.52Å; G45-K48 VanDerWaalsContact O-N 3.1Å
49	S	92.8	Very high	94.2	Very high	108 Å²	108	54.4 Å²	54.4	76%	0.755	27%	0.271	S	S	*	.			trans	-56.2	144.1	169.9	-54.8	0	0	0	0	110.6	V51	S49-V51 PolarHBondContact O-N 2.98Å
50	K	92.5	Very high	94.1	Very high	140 Å²	140	58.2 Å²	58.2	61%	0.609	29%	0.288	S	S	*	.			trans	-59.1	130.1	175.4	179	165.5	-171.4	179.9	0	110	D44 T52	D44-K50 WeakPolarHBondContact OD2-CG 3.21Å; K50-T52 HydrophobicContact CD-CG2 4.45Å; K50-T52 HydrophobicContact CG-CG2 4.32Å
51	V	95.1	Very high	93.8	Very high	39 Å²	39	63.9 Å²	63.9	24%	0.236	32%	0.323	C	S	.	.			trans	-124.5	128.1	172.1	173.7	0	0	0	0	107.2	W42 D44 S49	W42-V51 VanDerWaalsContact CB-O 3.27Å; W42-V51 WeakPolarHBondContact CB-O 3.45Å; W42-V51 VanDerWaalsContact CD1-O 3.23Å; W42-V51 HydrophobicContact CD2-CB 4.2Å; W42-V51 HydrophobicContact CD2-CG1 3.75Å; W42-V51 HydrophobicContact CE3-CG1 4.23Å; W42-V51 HydrophobicContact CG-CB 4.11Å; W42-V51 HydrophobicContact CG-CG1 4Å; W42-V51 HydrophobicContact CH2-CG1 4.32Å; W42-V51 HydrophobicContact CZ2-CB 4.3Å; W42-V51 HydrophobicContact CZ2-CG1 3.95Å; W42-V51 HydrophobicContact CZ3-CG1 4.47Å; D44-V51 PolarHBondContact OD1-N 3.01Å; S49-V51 PolarHBondContact O-N 2.98Å
52	T	96.1	Very high	93.6	Very high	36 Å²	36	68.1 Å²	68.1	22%	0.221	34%	0.343	C	S	.	.			trans	-106.5	142.7	179.1	48.1	0	0	0	0	111.2	S18 D40 K50 Y54	S18-T52 WeakPolarHBondContact CA-O 3.48Å; S18-T52 PolarHBondContact O-OG1 2.94Å; D40-T52 WeakPolarHBondContact OD1-CA 3.46Å; D40-T52 WeakPolarHBondContact OD2-CG2 3.35Å; K50-T52 HydrophobicContact CD-CG2 4.45Å; K50-T52 HydrophobicContact CG-CG2 4.32Å; T52-Y54 HydrophobicContact CG2-CE2 4.35Å
53	R	97.8	Very high	93.6	Very high	10 Å²	10	70.9 Å²	70.9	4%	0.038	37%	0.365	C	S	.	.			trans	-141.2	120.1	173.3	-66.5	-62.2	-178.2	-103.5	8.2	110.3	I16 V17 D40 L41 W42 E93 A94 A95	I16-R53 HydrophobicContact CG2-CB 3.73Å; I16-R53 HydrophobicContact CG2-CG 4.14Å; V17-R53 WeakPolarHBondContact O-CA 3.38Å; D40-R53 PolarHBondContact OD1-N 3.34Å; L41-R53 HydrophobicContact CB-CB 4.49Å; L41-R53 WeakPolarHBondContact CB-O 3.43Å; L41-R53 PolarHBondContact N-O 2.92Å; W42-R53 HydrophobicContact CB-CB 4.11Å; W42-R53 HydrophobicContact CB-CG 3.97Å; W42-R53 HydrophobicContact CD2-CG 4.2Å; W42-R53 HydrophobicContact CE3-CG 3.52Å; W42-R53 HydrophobicContact CG-CG 4.43Å; W42-R53 HydrophobicContact CZ3-CG 4.21Å; R53-E93 IonicContact CZ-OE2 3.4Å; R53-E93 IonicContact NH1-OE2 3.44Å; R53-E93 PolarHBondContact NH1-OE2 2.84Å; R53-E93 VanDerWaalsContact NH2-CB 3.31Å; R53-E93 IonicContact NH2-OE2 2.77Å; R53-E93 PolarHBondContact NH2-OE2 2.88Å; R53-A94 PolarHBondContact NE-O 3.37Å; R53-A94 PolarHBondContact NH2-O 3.01Å; R53-A95 WeakPolarHBondContact CD-O 3.47Å; R53-A95 WeakPolarHBondContact CG-O 3.4Å
54	Y	98.4	Very high	93.9	Very high	16 Å²	16	70.8 Å²	70.8	6%	0.063	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	137.4	176.4	-57.5	-86.9	0	0	0	110.4	I16 V17 L20 V29 D38 D40 T52	I16-Y54 CarbonylContact C-O 3.56Å; I16-Y54 WeakPolarHBondContact CA-O 3.21Å; V17-Y54 PolarHBondContact N-O 2.93Å; V17-Y54 PolarHBondContact O-N 3.24Å; L20-Y54 HydrophobicContact CD1-CE1 4.47Å; L20-Y54 HydrophobicContact CD1-CE2 4.18Å; L20-Y54 HydrophobicContact CD2-CD1 4.23Å; L20-Y54 HydrophobicContact CD2-CD2 3.49Å; L20-Y54 VanDerWaalsContact CD2-CD2 3.49Å; L20-Y54 HydrophobicContact CD2-CE2 3.82Å; L20-Y54 HydrophobicContact CD2-CG 3.71Å; L20-Y54 HydrophobicContact CG-CD2 4.02Å; L20-Y54 HydrophobicContact CG-CE2 3.82Å; V29-Y54 VanDerWaalsContact CG1-CB 3.49Å; V29-Y54 HydrophobicContact CG1-CG 4.29Å; D38-Y54 WeakPolarHBondContact OD1-CE1 3.36Å; D38-Y54 PolarHBondContact OD1-OH 2.9Å; D40-Y54 HydrophobicContact CB-CE1 4.2Å; T52-Y54 HydrophobicContact CG2-CE2 4.35Å
55	L	98.6	Very high	94.4	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	137.8	171.1	-173.6	150.4	0	0	0	109.4	V14 I16 V30 L41 F57 M69 L101 I118 I120 I142	V14-L55 HydrophobicContact CG1-CG 4.49Å; I16-L55 HydrophobicContact CD1-CB 4.22Å; V30-L55 HydrophobicContact CG2-CD2 3.95Å; V30-L55 PolarHBondContact N-O 3.03Å; L41-L55 HydrophobicContact CD1-CB 3.96Å; L55-F57 HydrophobicContact CD2-CD1 3.97Å; L55-M69 HydrophobicContact CD1-CE 4.2Å; L55-L101 HydrophobicContact CD1-CD2 4.31Å; L55-I118 HydrophobicContact CD1-CG2 4.16Å; L55-I118 HydrophobicContact CD2-CB 4.39Å; L55-I118 HydrophobicContact CD2-CD1 4.1Å; L55-I118 HydrophobicContact CD2-CG2 3.75Å; L55-I120 HydrophobicContact CB-CD1 4.35Å; L55-I142 HydrophobicContact CD1-CG2 4.17Å
56	C	98.3	Very high	94.9	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	156.9	173	67.2	0	0	0	0	110.5	V14 G15 V17 F27 Y28 V29	V14-C56 WeakPolarHBondContact CA-O 3.38Å; G15-C56 PolarHBondContact N-O 2.97Å; G15-C56 PolarHBondContact O-N 2.78Å; G15-C56 VanDerWaalsContact O-O 3.06Å; G15-C56 PolarHBondContact O-SG 3.46Å; G15-C56 VanDerWaalsContact O-SG 3.32Å; V17-C56 HydrophobicContact CG2-CB 4.48Å; F27-C56 HydrophobicContact CB-CB 4.44Å; F27-C56 HydrophobicContact CD1-CB 4.16Å; Y28-C56 CarbonylContact O-C 3.52Å; Y28-C56 WeakPolarHBondContact O-CA 3.19Å; Y28-C56 VanDerWaalsContact O-CB 3.29Å; Y28-C56 WeakPolarHBondContact O-CB 3.26Å; V29-C56 HydrophobicContact CB-CB 4.36Å; V29-C56 HydrophobicContact CG1-CB 4.49Å; V29-C56 HydrophobicContact CG2-CB 3.85Å
57	F	98.5	Very high	95.5	Very high	9 Å²	9	60.4 Å²	60.4	4%	0.039	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	156.6	179	63.1	-100.8	0	0	0	111	I11 A13 V14 F27 Y28 V30 L55 R59 I118	I11-F57 HydrophobicContact CD1-CB 4.33Å; I11-F57 HydrophobicContact CD1-CD1 4.36Å; I11-F57 HydrophobicContact CD1-CD2 3.61Å; I11-F57 HydrophobicContact CD1-CE2 4.05Å; I11-F57 HydrophobicContact CD1-CG 3.82Å; I11-F57 HydrophobicContact CG1-CD2 3.81Å; I11-F57 HydrophobicContact CG1-CE2 4.38Å; I11-F57 HydrophobicContact CG1-CG 4.35Å; I11-F57 HydrophobicContact CG2-CB 3.85Å; I11-F57 HydrophobicContact CG2-CD2 4.43Å; I11-F57 HydrophobicContact CG2-CG 4.43Å; A13-F57 CarbonylContact O-C 3.46Å; A13-F57 WeakPolarHBondContact O-CA 3.42Å; A13-F57 VanDerWaalsContact O-CB 3.29Å; A13-F57 WeakPolarHBondContact O-CB 3.46Å; V14-F57 HydrophobicContact CG2-CB 4.01Å; F27-F57 CarbonylContact C-O 3.48Å; F27-F57 WeakPolarHBondContact CA-O 3.17Å; Y28-F57 HydrophobicContact CD2-CD2 4.43Å; Y28-F57 AromaticContact CD2-CE2 3.92Å; Y28-F57 HydrophobicContact CD2-CE2 3.92Å; Y28-F57 HydrophobicContact CG-CE2 4.11Å; Y28-F57 HydrophobicContact CG-CZ 4.49Å; Y28-F57 PolarHBondContact N-O 2.96Å; Y28-F57 PolarHBondContact O-N 3.03Å; V30-F57 HydrophobicContact CG2-CD1 4.21Å; V30-F57 HydrophobicContact CG2-CE1 3.78Å; L55-F57 HydrophobicContact CD2-CD1 3.97Å; F57-R59 HydrophobicContact CD2-CG 4.43Å; F57-R59 HydrophobicContact CE2-CG 4.4Å; F57-I118 HydrophobicContact CB-CD1 4.06Å; F57-I118 HydrophobicContact CD1-CB 4.11Å; F57-I118 HydrophobicContact CD1-CD1 3.86Å; F57-I118 HydrophobicContact CD1-CG1 4.38Å; F57-I118 HydrophobicContact CE1-CB 4.18Å; F57-I118 HydrophobicContact CG-CD1 4.1Å
58	S	97.4	Very high	95.9	Very high	4 Å²	4	52.9 Å²	52.9	3%	0.028	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	146.8	177	177.4	0	0	0	0	110.5	I11 S12 A13 G26 K60	I11-S58 CarbonylContact C-O 3.52Å; I11-S58 WeakPolarHBondContact CA-O 3.49Å; I11-S58 WeakPolarHBondContact CG2-O 3.48Å; S12-S58 PolarHBondContact N-O 3.4Å; S12-S58 PolarHBondContact OG-O 3.13Å; A13-S58 PolarHBondContact O-N 3.06Å; G26-S58 PolarHBondContact O-OG 3.32Å; S58-K60 WeakPolarHBondContact OG-CB 3.46Å; S58-K60 PolarHBondContact OG-N 3.03Å; S58-K60 VanDerWaalsContact OG-N 3.13Å
59	R	95.4	Very high	96.3	Very high	56 Å²	56	46.1 Å²	46.1	21%	0.211	25%	0.246	C	C	.	.			trans	-114.7	16.6	171	-65.6	-176.3	177.5	105.8	2.4	112	I11 F57 C116 D117	I11-R59 HydrophobicContact CG1-CG 3.88Å; F57-R59 HydrophobicContact CD2-CG 4.43Å; F57-R59 HydrophobicContact CE2-CG 4.4Å; R59-C116 PolarHBondContact NE-O 2.97Å; R59-C116 VanDerWaalsContact NE-O 3.16Å; R59-C116 PolarHBondContact NH2-O 3.26Å; R59-D117 IonicContact NH2-OD1 3.21Å; R59-D117 PolarHBondContact NH2-OD1 2.78Å
60	K	93.9	Very high	96.6	Very high	80 Å²	80	45 Å²	45	35%	0.348	23%	0.227	S	C	.	.			trans	-57.6	144.5	174.5	-77.4	177	163.9	167.6	0	110	S12 D25 S58 E62 R108	S12-K60 VanDerWaalsContact CB-O 3.23Å; S12-K60 WeakPolarHBondContact CB-O 2.83Å; S12-K60 PolarHBondContact OG-N 3.09Å; S12-K60 PolarHBondContact OG-O 2.97Å; D25-K60 PolarHBondContact O-NZ 3.18Å; D25-K60 IonicContact OD2-NZ 3.66Å; D25-K60 PolarHBondContact OD2-NZ 2.87Å; S58-K60 WeakPolarHBondContact OG-CB 3.46Å; S58-K60 PolarHBondContact OG-N 3.03Å; S58-K60 VanDerWaalsContact OG-N 3.13Å; K60-E62 HydrophobicContact CB-CG 4.44Å; K60-E62 PolarHBondContact O-N 2.72Å; K60-R108 PolarHBondContact O-NH2 3.47Å
61	T	91.1	Very high	96.8	Very high	127 Å²	127	38.9 Å²	38.9	78%	0.779	20%	0.201	S	C	*	.			trans	-71.4	92.3	176.8	-54.5	0	0	0	0	109.7
62	E	93	Very high	96.9	Very high	95 Å²	95	37.8 Å²	37.8	44%	0.444	19%	0.194	S	C	.	.			trans	-109.1	160.3	174.6	-63.3	-62.4	157.5	0	0	110.9	K60 E64 R108	K60-E62 HydrophobicContact CB-CG 4.44Å; K60-E62 PolarHBondContact O-N 2.72Å; E62-E64 PolarHBondContact O-N 2.79Å; E62-R108 WeakPolarHBondContact O-CD 3.49Å; E62-R108 PolarHBondContact O-NE 3.2Å
63	P	94.5	Very high	96.9	Very high	91 Å²	91	39 Å²	39	59%	0.591	20%	0.199	S	C	*	.	S	Bend	trans	-60	-27.9	178.7	-24.1	34.7	0	0	0	114	T107 R108	P63-T107 WeakPolarHBondContact O-CA 3.29Å; P63-R108 PolarHBondContact O-N 3.43Å
64	E	97.1	Very high	96.7	Very high	93 Å²	93	43 Å²	43	44%	0.435	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	154	-179.2	-61.3	-172.6	113.9	0	0	112.3	S12 E62 M105 S106 T107	S12-E64 WeakPolarHBondContact CB-O 3.42Å; E62-E64 PolarHBondContact O-N 2.79Å; E64-M105 HydrophobicContact CB-CE 3.98Å; E64-S106 CarbonylContact C-O 3.58Å; E64-S106 VanDerWaalsContact CA-O 3.25Å; E64-S106 WeakPolarHBondContact CA-O 3.24Å; E64-T107 HydrophobicContact CG-CG2 4.46Å
65	V	98.2	Very high	96.6	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	151.4	177.2	-69.7	0	0	0	0	110.5	P10 V67 M105 S106 R108 A111 A114 V149	P10-V65 HydrophobicContact CB-CB 4.27Å; P10-V65 HydrophobicContact CB-CG1 3.62Å; V65-V67 HydrophobicContact CG2-CG1 4.31Å; V65-V67 PolarHBondContact O-N 3.1Å; V65-M105 WeakPolarHBondContact O-CA 3.24Å; V65-S106 PolarHBondContact N-O 2.97Å; V65-S106 PolarHBondContact O-N 3.13Å; V65-R108 HydrophobicContact CG1-CG 3.63Å; V65-R108 HydrophobicContact CG2-CG 4.35Å; V65-A111 HydrophobicContact CG2-CB 3.72Å; V65-A114 HydrophobicContact CB-CB 3.89Å; V65-A114 HydrophobicContact CG2-CB 3.85Å; V65-V149 HydrophobicContact CG2-CG2 4.28Å
66	V	98.6	Very high	96.5	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	121.5	175.7	178.5	0	0	0	0	108.6	I11 V14 M69 V103 M105 A114 V115	I11-V66 HydrophobicContact CG2-CB 4.37Å; I11-V66 HydrophobicContact CG2-CG2 3.96Å; I11-V66 PolarHBondContact O-N 2.89Å; V14-V66 HydrophobicContact CG2-CG2 4.08Å; V66-M69 HydrophobicContact CG1-CG 3.84Å; V66-M69 HydrophobicContact CG1-SD 4.42Å; V66-V103 HydrophobicContact CB-CG1 4.26Å; V66-V103 HydrophobicContact CG1-CG1 3.59Å; V66-V103 HydrophobicContact CG2-CG1 3.8Å; V66-M105 HydrophobicContact CB-SD 4.38Å; V66-M105 HydrophobicContact CG2-CE 4.03Å; V66-M105 HydrophobicContact CG2-SD 3.63Å; V66-A114 CarbonylContact O-C 3.47Å; V66-A114 WeakPolarHBondContact O-CA 3.45Å; V66-A114 WeakPolarHBondContact O-CB 3.07Å; V66-V115 HydrophobicContact CB-CB 4.25Å; V66-V115 HydrophobicContact CG1-CB 4.03Å; V66-V115 HydrophobicContact CG1-CG2 3.88Å; V66-V115 PolarHBondContact O-N 2.75Å
67	V	98.4	Very high	96.4	Very high	26 Å²	26	60.5 Å²	60.5	16%	0.158	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	-18.2	-179.3	-62.9	0	0	0	0	113.4	V65 K104 A111 M146	V65-V67 HydrophobicContact CG2-CG1 4.31Å; V65-V67 PolarHBondContact O-N 3.1Å; V67-K104 HydrophobicContact CG2-CB 4.15Å; V67-K104 HydrophobicContact CG2-CD 4.1Å; V67-K104 HydrophobicContact CG2-CG 3.67Å; V67-K104 WeakPolarHBondContact CG2-O 3.5Å; V67-K104 PolarHBondContact N-O 3.05Å; V67-A111 HydrophobicContact CG1-CB 3.82Å; V67-M146 WeakPolarHBondContact O-CE 3.43Å
68	D	98.3	Very high	96.3	Very high	36 Å²	36	63.8 Å²	63.8	19%	0.193	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	156.5	172.4	-160.9	3.6	0	0	0	111.1	K70 F82 K104 Y144	D68-K70 WeakPolarHBondContact OD2-CE 3.3Å; D68-F82 HydrophobicContact CB-CE1 4.03Å; D68-F82 HydrophobicContact CB-CZ 3.79Å; D68-F82 WeakPolarHBondContact OD2-CZ 3.32Å; D68-K104 HydrophobicContact CB-CB 4.03Å; D68-K104 PolarHBondContact N-O 3.07Å; D68-K104 PolarHBondContact O-N 3.33Å; D68-Y144 PolarHBondContact OD1-OH 2.88Å
69	M	98.6	Very high	96.3	Very high	2 Å²	2	65.3 Å²	65.3	1%	0.01	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	139.3	176.5	-62.1	174.2	58.6	0	0	109.7	V14 L55 V66 L101 C102 V115 I118 V134 Y144	V14-M69 HydrophobicContact CG1-CE 3.89Å; V14-M69 HydrophobicContact CG2-CE 4.27Å; V14-M69 HydrophobicContact CG2-SD 4.06Å; L55-M69 HydrophobicContact CD1-CE 4.2Å; V66-M69 HydrophobicContact CG1-CG 3.84Å; V66-M69 HydrophobicContact CG1-SD 4.42Å; M69-L101 HydrophobicContact CE-CD1 4.05Å; M69-C102 WeakPolarHBondContact CA-O 3.3Å; M69-V115 HydrophobicContact SD-CG1 4.32Å; M69-I118 HydrophobicContact CE-CD1 3.96Å; M69-I118 HydrophobicContact SD-CD1 3.6Å; M69-I118 HydrophobicContact SD-CG1 4.08Å; M69-V134 HydrophobicContact CB-CG1 4.05Å; M69-V134 HydrophobicContact CB-CG2 3.96Å; M69-Y144 HydrophobicContact CB-CD1 3.96Å; M69-Y144 HydrophobicContact CB-CE1 4.1Å; M69-Y144 HydrophobicContact CG-CD1 4.34Å; M69-Y144 HydrophobicContact SD-CD1 4.34Å
70	K	97.9	Very high	96.3	Very high	84 Å²	84	70.9 Å²	70.9	37%	0.365	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	145.3	178.6	-68.5	-174.5	178.3	-177.9	0	111.8	D68 I72 F82 C102	D68-K70 WeakPolarHBondContact OD2-CE 3.3Å; K70-I72 HydrophobicContact CB-CG2 4.43Å; K70-F82 HydrophobicContact CB-CE1 4.16Å; K70-F82 HydrophobicContact CD-CE1 3.97Å; K70-F82 HydrophobicContact CD-CE2 4.2Å; K70-F82 HydrophobicContact CD-CZ 3.67Å; K70-F82 HydrophobicContact CG-CE1 3.78Å; K70-F82 HydrophobicContact CG-CZ 3.92Å; K70-C102 HydrophobicContact CB-CB 4.4Å; K70-C102 PolarHBondContact N-O 2.84Å; K70-C102 PolarHBondContact O-N 3.11Å
71	L	97.3	Very high	96.4	Very high	13 Å²	13	70.7 Å²	70.7	7%	0.068	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	107	170.7	-166.4	74.8	0	0	0	110.2	M96 R99 R100 L101 V134 E136 I137	L71-M96 HydrophobicContact CD1-CE 3.78Å; L71-M96 HydrophobicContact CD1-SD 3.72Å; L71-R99 HydrophobicContact CD1-CB 3.89Å; L71-R99 HydrophobicContact CD2-CB 4.14Å; L71-R99 VanDerWaalsContact CD2-CD 3.46Å; L71-R99 HydrophobicContact CD2-CG 4.4Å; L71-R99 HydrophobicContact CG-CB 3.8Å; L71-R99 HydrophobicContact CG-CG 4.4Å; L71-R100 WeakPolarHBondContact CA-O 3.14Å; L71-L101 HydrophobicContact CD1-CB 4.31Å; L71-V134 HydrophobicContact CB-CG1 4.18Å; L71-V134 WeakPolarHBondContact CB-O 3.37Å; L71-V134 PolarHBondContact N-O 2.91Å; L71-V134 VanDerWaalsContact N-O 3.14Å; L71-E136 WeakPolarHBondContact CD2-O 2.99Å; L71-I137 HydrophobicContact CD2-CB 3.97Å; L71-I137 HydrophobicContact CD2-CG2 4.49Å
72	I	97	Very high	96.7	Very high	16 Å²	16	65.4 Å²	65.4	8%	0.082	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	156.8	-176.4	66.3	177	0	0	0	111.5	K70 D76 P79 R99 R100 C102	K70-I72 HydrophobicContact CB-CG2 4.43Å; I72-D76 HydrophobicContact CB-CB 4.35Å; I72-P79 HydrophobicContact CG2-CG 4.13Å; I72-R99 CarbonylContact O-C 3.46Å; I72-R99 WeakPolarHBondContact O-CA 3.19Å; I72-R99 WeakPolarHBondContact O-CB 3.42Å; I72-R100 VanDerWaalsContact CD1-NH2 3.25Å; I72-R100 HydrophobicContact CG1-CB 3.98Å; I72-R100 PolarHBondContact N-O 3.3Å; I72-R100 PolarHBondContact O-N 2.72Å; I72-C102 WeakPolarHBondContact CD1-SG 3.31Å
73	D	96.2	Very high	97	Very high	62 Å²	62	65.4 Å²	65.4	33%	0.332	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	159.6	171	-74.5	-43.2	0	0	0	110.5	K75 D76 R99 R100	D73-K75 PolarHBondContact O-N 3.06Å; D73-D76 WeakPolarHBondContact CB-OD2 3.38Å; D73-D76 PolarHBondContact N-OD2 3.49Å; D73-D76 PolarHBondContact O-N 3.46Å; D73-R99 IonicContact OD1-CZ 2.99Å; D73-R99 IonicContact OD1-NE 3.76Å; D73-R99 PolarHBondContact OD1-NE 3.49Å; D73-R99 IonicContact OD1-NH1 2.7Å; D73-R99 IonicContact OD1-NH2 2.78Å; D73-R99 PolarHBondContact OD1-NH2 3.5Å; D73-R99 IonicContact OD2-NH2 3.04Å; D73-R100 PolarHBondContact O-NE 3.31Å; D73-R100 PolarHBondContact O-NH2 3.23Å
74	I	94.3	Very high	97.1	Very high	93 Å²	93	63 Å²	63	48%	0.477	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-31.8	-177.9	-61.4	168.2	0	0	0	111.6	R97 R100	I74-R97 WeakPolarHBondContact CD1-O 3.35Å; I74-R100 PolarHBondContact O-NH2 3.43Å
75	K	95.9	Very high	97.2	Very high	202 Å²	202	59.6 Å²	59.6	88%	0.878	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-21	-176.8	-61.5	-177.4	179.9	-176.9	0	113	D73	D73-K75 PolarHBondContact O-N 3.06Å
76	D	96.4	Very high	97.1	Very high	69 Å²	69	66.5 Å²	66.5	37%	0.369	35%	0.348	S	S	.	.	S	Bend	trans	-68.8	152	-176.7	-62	-20.6	0	0	0	110.5	I72 D73 R100	I72-D76 HydrophobicContact CB-CB 4.35Å; D73-D76 WeakPolarHBondContact CB-OD2 3.38Å; D73-D76 PolarHBondContact N-OD2 3.49Å; D73-D76 PolarHBondContact O-N 3.46Å; D76-R100 PolarHBondContact O-NH2 2.83Å
77	P	96.5	Very high	97.1	Very high	112 Å²	112	71.3 Å²	71.3	73%	0.727	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-65.6	150.7	168.4	27.9	-33.4	0	0	0	110.7	P79	P77-P79 WeakPolarHBondContact O-CD 3.42Å
78	L	96.9	Very high	97.1	Very high	78 Å²	78	70.1 Å²	70.1	41%	0.408	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-65.6	124.7	170.2	178.3	60.9	0	0	0	109	F82 L84	L78-F82 HydrophobicContact CD1-CB 4.11Å; L78-F82 WeakPolarHBondContact CD2-O 3.39Å; L78-L84 HydrophobicContact CD1-CD1 4.43Å; L78-L84 HydrophobicContact CD1-CD2 4Å; L78-L84 HydrophobicContact CD1-CG 3.76Å; L78-L84 HydrophobicContact CD2-CD1 4.48Å; L78-L84 HydrophobicContact CD2-CG 4.36Å
79	P	96.5	Very high	97	Very high	36 Å²	36	71.2 Å²	71.2	23%	0.234	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-62.5	149.1	177.3	-25.4	35.6	0	0	0	112.7	I72 P77 S81 F82	I72-P79 HydrophobicContact CG2-CG 4.13Å; P77-P79 WeakPolarHBondContact O-CD 3.42Å; P79-S81 PolarHBondContact O-N 3.08Å; P79-F82 HydrophobicContact CB-CD2 3.68Å; P79-F82 HydrophobicContact CB-CE2 4.19Å; P79-F82 HydrophobicContact CB-CG 4.24Å; P79-F82 WeakPolarHBondContact O-CB 3.37Å; P79-F82 PolarHBondContact O-N 3.21Å
80	E	95.6	Very high	96.9	Very high	174 Å²	174	72.8 Å²	72.8	81%	0.813	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	137.4	-179.5	-171.5	-178	-179.8	0	0	112	F82	E80-F82 VanDerWaalsContact O-CD2 3.29Å; E80-F82 WeakPolarHBondContact O-CD2 3.43Å; E80-F82 PolarHBondContact O-N 3.38Å
81	S	96.1	Very high	96.8	Very high	75 Å²	75	73.6 Å²	73.6	52%	0.524	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.8	10.8	-177.7	-48.5	0	0	0	0	115.4	P79 K104	P79-S81 PolarHBondContact O-N 3.08Å; S81-K104 WeakPolarHBondContact O-CG 2.86Å
82	F	98.4	Very high	96.7	Very high	16 Å²	16	79.2 Å²	79.2	7%	0.07	41%	0.405	C	S	.	.			trans	-100.1	147.8	171.6	-75	-103.5	0	0	0	111.6	D68 K70 L78 P79 E80 C102 V103 K104	D68-F82 HydrophobicContact CB-CE1 4.03Å; D68-F82 HydrophobicContact CB-CZ 3.79Å; D68-F82 WeakPolarHBondContact OD2-CZ 3.32Å; K70-F82 HydrophobicContact CB-CE1 4.16Å; K70-F82 HydrophobicContact CD-CE1 3.97Å; K70-F82 HydrophobicContact CD-CE2 4.2Å; K70-F82 HydrophobicContact CD-CZ 3.67Å; K70-F82 HydrophobicContact CG-CE1 3.78Å; K70-F82 HydrophobicContact CG-CZ 3.92Å; L78-F82 HydrophobicContact CD1-CB 4.11Å; L78-F82 WeakPolarHBondContact CD2-O 3.39Å; P79-F82 HydrophobicContact CB-CD2 3.68Å; P79-F82 HydrophobicContact CB-CE2 4.19Å; P79-F82 HydrophobicContact CB-CG 4.24Å; P79-F82 WeakPolarHBondContact O-CB 3.37Å; P79-F82 PolarHBondContact O-N 3.21Å; E80-F82 VanDerWaalsContact O-CD2 3.29Å; E80-F82 WeakPolarHBondContact O-CD2 3.43Å; E80-F82 PolarHBondContact O-N 3.38Å; F82-C102 HydrophobicContact CB-CB 4.04Å; F82-C102 HydrophobicContact CD1-CB 3.73Å; F82-C102 HydrophobicContact CG-CB 4.24Å; F82-V103 WeakPolarHBondContact CA-O 3.38Å; F82-K104 HydrophobicContact CD1-CB 3.85Å; F82-K104 HydrophobicContact CD2-CB 4.23Å; F82-K104 HydrophobicContact CD2-CD 4.48Å; F82-K104 HydrophobicContact CE1-CB 3.67Å; F82-K104 HydrophobicContact CE2-CB 4.06Å; F82-K104 HydrophobicContact CE2-CD 3.98Å; F82-K104 HydrophobicContact CG-CB 4.13Å; F82-K104 HydrophobicContact CZ-CB 3.77Å; F82-K104 HydrophobicContact CZ-CD 4.22Å
83	T	98.2	Very high	96.7	Very high	95 Å²	95	82.2 Å²	82.2	58%	0.583	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.4	142.7	171.9	-53.9	0	0	0	0	109.8	C102 V103	T83-C102 WeakPolarHBondContact O-CA 3.29Å; T83-V103 PolarHBondContact N-O 3.02Å; T83-V103 PolarHBondContact O-N 2.87Å
84	L	97.9	Very high	96.7	Very high	41 Å²	41	82 Å²	82	22%	0.215	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	134.3	179.1	-74.3	168.2	0	0	0	112	L78 Q86 R100 C102	L78-L84 HydrophobicContact CD1-CD1 4.43Å; L78-L84 HydrophobicContact CD1-CD2 4Å; L78-L84 HydrophobicContact CD1-CG 3.76Å; L78-L84 HydrophobicContact CD2-CD1 4.48Å; L78-L84 HydrophobicContact CD2-CG 4.36Å; L84-Q86 HydrophobicContact CB-CG 3.63Å; L84-Q86 PolarHBondContact O-N 3.26Å; L84-Q86 VanDerWaalsContact O-N 3.14Å; L84-R100 HydrophobicContact CD2-CB 3.65Å; L84-R100 HydrophobicContact CD2-CG 4.25Å; L84-C102 WeakPolarHBondContact CD2-SG 3.49Å
85	V	98.1	Very high	96.8	Very high	22 Å²	22	77.6 Å²	77.6	13%	0.133	40%	0.403	C	S	.	.			trans	-81.3	88.2	162.3	-173.6	0	0	0	0	107.5	I16 A95 L101 V103	I16-V85 HydrophobicContact CG1-CG1 4.02Å; V85-A95 HydrophobicContact CG1-CB 4.25Å; V85-A95 VanDerWaalsContact O-CB 3.3Å; V85-A95 WeakPolarHBondContact O-CB 3.42Å; V85-L101 HydrophobicContact CB-CB 4.33Å; V85-L101 HydrophobicContact CB-CD2 4.45Å; V85-L101 HydrophobicContact CB-CG 4.47Å; V85-L101 HydrophobicContact CG2-CB 4.47Å; V85-L101 HydrophobicContact CG2-CD2 4.13Å; V85-L101 HydrophobicContact CG2-CG 4.12Å; V85-L101 PolarHBondContact N-O 3.37Å; V85-V103 HydrophobicContact CG2-CG2 3.7Å
86	Q	96.8	Very high	96.7	Very high	144 Å²	144	69.1 Å²	69.1	67%	0.673	37%	0.367	S	S	*	.			trans	-81.6	-41.1	-171.3	-64.7	-175.2	79.2	0	0	113	L84 A95	L84-Q86 HydrophobicContact CB-CG 3.63Å; L84-Q86 PolarHBondContact O-N 3.26Å; L84-Q86 VanDerWaalsContact O-N 3.14Å; Q86-A95 WeakPolarHBondContact O-CB 3.27Å; Q86-A95 PolarHBondContact O-N 2.83Å
87	E	97.9	Very high	96.5	Very high	102 Å²	102	70.7 Å²	70.7	48%	0.477	37%	0.368	S	S	.	.	B	Isolated β-bridge	trans	-127.1	154.8	-170.1	-67.5	178.6	176.3	0	0	112.1	E93	E87-E93 CarbonylContact C-O 3.58Å; E87-E93 VanDerWaalsContact CA-O 3.24Å; E87-E93 WeakPolarHBondContact CA-O 3.36Å
88	T	98.1	Very high	96.2	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	35%	0.354	C	S	.	.	B	Isolated β-bridge	trans	-69.1	139.6	172	54.6	0	0	0	0	110.8	I16 D90 K92 E93	I16-T88 HydrophobicContact CG2-CG2 4.15Å; I16-T88 CarbonylContact O-C 3.57Å; I16-T88 WeakPolarHBondContact O-CA 3.48Å; T88-D90 VanDerWaalsContact C-N 3.28Å; T88-D90 WeakPolarHBondContact CB-OD1 3.45Å; T88-D90 PolarHBondContact O-N 2.97Å; T88-K92 WeakPolarHBondContact O-CA 3.25Å; T88-K92 PolarHBondContact O-N 3.08Å; T88-K92 PolarHBondContact OG1-N 3.37Å; T88-E93 PolarHBondContact N-O 2.95Å; T88-E93 PolarHBondContact OG1-N 2.7Å; T88-E93 PolarHBondContact OG1-O 2.87Å
89	L	97.2	Very high	96.1	Very high	59 Å²	59	70.4 Å²	70.4	31%	0.309	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-30.8	-177.2	-64	-179.2	0	0	0	112.4	I16 V17 P24 F27	I16-L89 PolarHBondContact O-N 3.22Å; V17-L89 HydrophobicContact CG1-CB 4.25Å; P24-L89 HydrophobicContact CG-CB 3.78Å; P24-L89 HydrophobicContact CG-CD1 4.13Å; F27-L89 HydrophobicContact CD1-CD1 3.99Å; F27-L89 HydrophobicContact CE1-CD1 3.6Å; F27-L89 HydrophobicContact CE2-CD1 4.44Å; F27-L89 HydrophobicContact CZ-CD1 3.85Å
90	D	95.8	Very high	96.1	Very high	36 Å²	36	71.5 Å²	71.5	19%	0.193	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-38.8	-172.9	61.1	-38.4	0	0	0	113.9	V17 S18 S19 K22 T88	V17-D90 WeakPolarHBondContact CA-OD1 3.49Å; S18-D90 PolarHBondContact N-OD1 3.39Å; S18-D90 PolarHBondContact N-OD2 2.89Å; S18-D90 PolarHBondContact OG-OD1 2.96Å; S18-D90 PolarHBondContact OG-OD2 3.21Å; S19-D90 PolarHBondContact N-OD2 3.25Å; K22-D90 HydrophobicContact CB-CB 4.21Å; T88-D90 VanDerWaalsContact C-N 3.28Å; T88-D90 WeakPolarHBondContact CB-OD1 3.45Å; T88-D90 PolarHBondContact O-N 2.97Å
91	K	95.5	Very high	96.2	Very high	101 Å²	101	63.2 Å²	63.2	44%	0.439	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.4	-2.8	-174.2	-65.7	-174.2	-165.7	152.2	0	115.3	S18 E93	S18-K91 WeakPolarHBondContact OG-CD 3.44Å; S18-K91 WeakPolarHBondContact OG-CE 3.31Å; S18-K91 PolarHBondContact OG-NZ 3.45Å; K91-E93 HydrophobicContact CB-CG 3.93Å; K91-E93 WeakPolarHBondContact CD-OE1 3.44Å; K91-E93 PolarHBondContact O-N 2.92Å; K91-E93 VanDerWaalsContact O-N 3.15Å
92	K	96.4	Very high	96.3	Very high	131 Å²	131	59.7 Å²	59.7	57%	0.57	29%	0.285	S	S	*	.			trans	57.7	23.7	-176.5	-52.4	-61.3	-179.8	-177.9	0	114.1	T88	T88-K92 WeakPolarHBondContact O-CA 3.25Å; T88-K92 PolarHBondContact O-N 3.08Å; T88-K92 PolarHBondContact OG1-N 3.37Å
93	E	96.3	Very high	96.3	Very high	78 Å²	78	59.3 Å²	59.3	36%	0.364	28%	0.284	S	S	.	.			trans	-81.4	161.7	170.2	-61.4	173	-171.4	0	0	110.7	R53 E87 T88 K91 A95	R53-E93 IonicContact CZ-OE2 3.4Å; R53-E93 IonicContact NH1-OE2 3.44Å; R53-E93 PolarHBondContact NH1-OE2 2.84Å; R53-E93 VanDerWaalsContact NH2-CB 3.31Å; R53-E93 IonicContact NH2-OE2 2.77Å; R53-E93 PolarHBondContact NH2-OE2 2.88Å; E87-E93 CarbonylContact C-O 3.58Å; E87-E93 VanDerWaalsContact CA-O 3.24Å; E87-E93 WeakPolarHBondContact CA-O 3.36Å; T88-E93 PolarHBondContact N-O 2.95Å; T88-E93 PolarHBondContact OG1-N 2.7Å; T88-E93 PolarHBondContact OG1-O 2.87Å; K91-E93 HydrophobicContact CB-CG 3.93Å; K91-E93 WeakPolarHBondContact CD-OE1 3.44Å; K91-E93 PolarHBondContact O-N 2.92Å; K91-E93 VanDerWaalsContact O-N 3.15Å; E93-A95 PolarHBondContact O-N 3.13Å
94	A	96.3	Very high	96.4	Very high	57 Å²	57	58.2 Å²	58.2	47%	0.471	27%	0.271	S	S	.	.	B	Isolated β-bridge	trans	-50.5	126.1	174.4	0	0	0	0	0	112.2	R53	R53-A94 PolarHBondContact NE-O 3.37Å; R53-A94 PolarHBondContact NH2-O 3.01Å
95	A	96.5	Very high	96.4	Very high	1 Å²	1	59 Å²	59	1%	0.008	28%	0.275	C	S	.	.	S	Bend	trans	-69.1	-38.4	-175.6	0	0	0	0	0	112.5	I16 R53 V85 Q86 E93	I16-A95 HydrophobicContact CB-CB 4.04Å; I16-A95 HydrophobicContact CG1-CB 3.95Å; R53-A95 WeakPolarHBondContact CD-O 3.47Å; R53-A95 WeakPolarHBondContact CG-O 3.4Å; V85-A95 HydrophobicContact CG1-CB 4.25Å; V85-A95 VanDerWaalsContact O-CB 3.3Å; V85-A95 WeakPolarHBondContact O-CB 3.42Å; Q86-A95 WeakPolarHBondContact O-CB 3.27Å; Q86-A95 PolarHBondContact O-N 2.83Å; E93-A95 PolarHBondContact O-N 3.13Å
96	M	94.6	Very high	96.4	Very high	25 Å²	25	59.5 Å²	59.5	12%	0.123	28%	0.279	C	S	.	.			trans	-143.9	159.7	-177.9	-54.5	-165.5	102.5	0	0	110.6	L41 L71 R99 L101 I137	L41-M96 HydrophobicContact CD1-CE 4.32Å; L71-M96 HydrophobicContact CD1-CE 3.78Å; L71-M96 HydrophobicContact CD1-SD 3.72Å; M96-R99 WeakPolarHBondContact CB-O 3.43Å; M96-L101 HydrophobicContact SD-CB 3.55Å; M96-L101 VanDerWaalsContact SD-CB 3.55Å; M96-L101 PolarHBondContact SD-N 3.31Å; M96-I137 HydrophobicContact CE-CD1 3.33Å; M96-I137 HydrophobicContact CE-CG2 4.35Å
97	R	91.1	Very high	96.4	Very high	102 Å²	102	55.4 Å²	55.4	39%	0.385	26%	0.264	S	S	.	.	S	Bend	trans	-115	-40.1	-177.8	-175	179.3	129.7	-157.8	-4.1	115.5	W42 I74	W42-R97 HydrophobicContact CD2-CB 4.47Å; W42-R97 HydrophobicContact CE3-CB 4.16Å; W42-R97 HydrophobicContact CH2-CB 3.6Å; W42-R97 HydrophobicContact CH2-CG 4.34Å; W42-R97 HydrophobicContact CZ2-CB 3.83Å; W42-R97 HydrophobicContact CZ2-CG 4.31Å; W42-R97 HydrophobicContact CZ3-CB 3.76Å; I74-R97 WeakPolarHBondContact CD1-O 3.35Å
98	K	89.3	Confident	96.2	Very high	102 Å²	102	52.6 Å²	52.6	44%	0.443	25%	0.249	S	C	.	.	S	Bend	trans	-101.7	-27.9	-171.4	-67.7	-170.8	179.7	-173.5	0	113.2
99	R	95.6	Very high	96	Very high	82 Å²	82	59.8 Å²	59.8	31%	0.309	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	169.2	178.4	-67.6	-163.1	172.1	-130.6	-6	108.5	L71 I72 D73 M96 I137	L71-R99 HydrophobicContact CD1-CB 3.89Å; L71-R99 HydrophobicContact CD2-CB 4.14Å; L71-R99 VanDerWaalsContact CD2-CD 3.46Å; L71-R99 HydrophobicContact CD2-CG 4.4Å; L71-R99 HydrophobicContact CG-CB 3.8Å; L71-R99 HydrophobicContact CG-CG 4.4Å; I72-R99 CarbonylContact O-C 3.46Å; I72-R99 WeakPolarHBondContact O-CA 3.19Å; I72-R99 WeakPolarHBondContact O-CB 3.42Å; D73-R99 IonicContact OD1-CZ 2.99Å; D73-R99 IonicContact OD1-NE 3.76Å; D73-R99 PolarHBondContact OD1-NE 3.49Å; D73-R99 IonicContact OD1-NH1 2.7Å; D73-R99 IonicContact OD1-NH2 2.78Å; D73-R99 PolarHBondContact OD1-NH2 3.5Å; D73-R99 IonicContact OD2-NH2 3.04Å; M96-R99 WeakPolarHBondContact CB-O 3.43Å; R99-I137 HydrophobicContact CB-CD1 4.46Å
100	R	96.6	Very high	95.9	Very high	59 Å²	59	60.5 Å²	60.5	22%	0.223	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	130.2	176.6	-65.4	176.3	-63.2	170.8	-0.7	109.4	L71 I72 D73 I74 D76 L84	L71-R100 WeakPolarHBondContact CA-O 3.14Å; I72-R100 VanDerWaalsContact CD1-NH2 3.25Å; I72-R100 HydrophobicContact CG1-CB 3.98Å; I72-R100 PolarHBondContact N-O 3.3Å; I72-R100 PolarHBondContact O-N 2.72Å; D73-R100 PolarHBondContact O-NE 3.31Å; D73-R100 PolarHBondContact O-NH2 3.23Å; I74-R100 PolarHBondContact O-NH2 3.43Å; D76-R100 PolarHBondContact O-NH2 2.83Å; L84-R100 HydrophobicContact CD2-CB 3.65Å; L84-R100 HydrophobicContact CD2-CG 4.25Å
101	L	98.4	Very high	95.9	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	127.8	171.8	179	63.9	0	0	0	108.8	V14 I16 L55 M69 L71 V85 M96 V134	V14-L101 HydrophobicContact CG1-CD2 3.99Å; I16-L101 HydrophobicContact CD1-CD2 4.05Å; L55-L101 HydrophobicContact CD1-CD2 4.31Å; M69-L101 HydrophobicContact CE-CD1 4.05Å; L71-L101 HydrophobicContact CD1-CB 4.31Å; V85-L101 HydrophobicContact CB-CB 4.33Å; V85-L101 HydrophobicContact CB-CD2 4.45Å; V85-L101 HydrophobicContact CB-CG 4.47Å; V85-L101 HydrophobicContact CG2-CB 4.47Å; V85-L101 HydrophobicContact CG2-CD2 4.13Å; V85-L101 HydrophobicContact CG2-CG 4.12Å; V85-L101 PolarHBondContact N-O 3.37Å; M96-L101 HydrophobicContact SD-CB 3.55Å; M96-L101 VanDerWaalsContact SD-CB 3.55Å; M96-L101 PolarHBondContact SD-N 3.31Å; L101-V134 HydrophobicContact CD1-CG1 4.22Å
102	C	98.3	Very high	95.9	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	140.5	179.8	-61.2	0	0	0	0	109.1	M69 K70 I72 F82 T83 L84	M69-C102 WeakPolarHBondContact CA-O 3.3Å; K70-C102 HydrophobicContact CB-CB 4.4Å; K70-C102 PolarHBondContact N-O 2.84Å; K70-C102 PolarHBondContact O-N 3.11Å; I72-C102 WeakPolarHBondContact CD1-SG 3.31Å; F82-C102 HydrophobicContact CB-CB 4.04Å; F82-C102 HydrophobicContact CD1-CB 3.73Å; F82-C102 HydrophobicContact CG-CB 4.24Å; T83-C102 WeakPolarHBondContact O-CA 3.29Å; L84-C102 WeakPolarHBondContact CD2-SG 3.49Å
103	V	98.6	Very high	95.9	Very high	8 Å²	8	56.4 Å²	56.4	5%	0.048	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	135.2	179.5	-173.6	0	0	0	0	108.8	V14 V66 F82 T83 V85 M105	V14-V103 HydrophobicContact CB-CG2 4.02Å; V14-V103 HydrophobicContact CG1-CG2 4.2Å; V66-V103 HydrophobicContact CB-CG1 4.26Å; V66-V103 HydrophobicContact CG1-CG1 3.59Å; V66-V103 HydrophobicContact CG2-CG1 3.8Å; F82-V103 WeakPolarHBondContact CA-O 3.38Å; T83-V103 PolarHBondContact N-O 3.02Å; T83-V103 PolarHBondContact O-N 2.87Å; V85-V103 HydrophobicContact CG2-CG2 3.7Å; V103-M105 HydrophobicContact CG1-SD 3.69Å
104	K	98.6	Very high	96	Very high	72 Å²	72	52.7 Å²	52.7	31%	0.313	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	124.8	170.8	-178.8	171.1	-179.9	170.1	0	109.1	V67 D68 S81 F82	V67-K104 HydrophobicContact CG2-CB 4.15Å; V67-K104 HydrophobicContact CG2-CD 4.1Å; V67-K104 HydrophobicContact CG2-CG 3.67Å; V67-K104 WeakPolarHBondContact CG2-O 3.5Å; V67-K104 PolarHBondContact N-O 3.05Å; D68-K104 HydrophobicContact CB-CB 4.03Å; D68-K104 PolarHBondContact N-O 3.07Å; D68-K104 PolarHBondContact O-N 3.33Å; S81-K104 WeakPolarHBondContact O-CG 2.86Å; F82-K104 HydrophobicContact CD1-CB 3.85Å; F82-K104 HydrophobicContact CD2-CB 4.23Å; F82-K104 HydrophobicContact CD2-CD 4.48Å; F82-K104 HydrophobicContact CE1-CB 3.67Å; F82-K104 HydrophobicContact CE2-CB 4.06Å; F82-K104 HydrophobicContact CE2-CD 3.98Å; F82-K104 HydrophobicContact CG-CB 4.13Å; F82-K104 HydrophobicContact CZ-CB 3.77Å; F82-K104 HydrophobicContact CZ-CD 4.22Å
105	M	98.3	Very high	96.1	Very high	58 Å²	58	50 Å²	50	29%	0.286	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	154.4	178.2	-56.8	-55.6	-71.1	0	0	110.3	S12 E64 V65 V66 V103	S12-M105 WeakPolarHBondContact O-CE 3.1Å; E64-M105 HydrophobicContact CB-CE 3.98Å; V65-M105 WeakPolarHBondContact O-CA 3.24Å; V66-M105 HydrophobicContact CB-SD 4.38Å; V66-M105 HydrophobicContact CG2-CE 4.03Å; V66-M105 HydrophobicContact CG2-SD 3.63Å; V103-M105 HydrophobicContact CG1-SD 3.69Å
106	S	97.9	Very high	96.1	Very high	32 Å²	32	50.2 Å²	50.2	22%	0.224	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	152.9	168.2	-167.9	0	0	0	0	109.3	E64 V65	E64-S106 CarbonylContact C-O 3.58Å; E64-S106 VanDerWaalsContact CA-O 3.25Å; E64-S106 WeakPolarHBondContact CA-O 3.24Å; V65-S106 PolarHBondContact N-O 2.97Å; V65-S106 PolarHBondContact O-N 3.13Å
107	T	97.3	Very high	96.2	Very high	58 Å²	58	49.9 Å²	49.9	36%	0.356	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	150	172.7	69.6	0	0	0	0	110.2	P63 E64 E109 A110 A111	P63-T107 WeakPolarHBondContact O-CA 3.29Å; E64-T107 HydrophobicContact CG-CG2 4.46Å; T107-E109 WeakPolarHBondContact CB-OE2 3.35Å; T107-E109 PolarHBondContact O-N 3.31Å; T107-E109 PolarHBondContact OG1-OE2 3.05Å; T107-A110 PolarHBondContact O-N 3.2Å; T107-A110 VanDerWaalsContact O-N 3.13Å; T107-A110 WeakPolarHBondContact OG1-CB 3.37Å; T107-A110 PolarHBondContact OG1-N 3.02Å; T107-A111 WeakPolarHBondContact O-CB 3.23Å; T107-A111 PolarHBondContact O-N 2.81Å
108	R	94.6	Very high	96.5	Very high	43 Å²	43	45.3 Å²	45.3	16%	0.162	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-28.8	178.8	-76.6	-174.5	-173.4	-103.8	-6.7	113.2	K60 E62 P63 V65 V149	K60-R108 PolarHBondContact O-NH2 3.47Å; E62-R108 WeakPolarHBondContact O-CD 3.49Å; E62-R108 PolarHBondContact O-NE 3.2Å; P63-R108 PolarHBondContact O-N 3.43Å; V65-R108 HydrophobicContact CG1-CG 3.63Å; V65-R108 HydrophobicContact CG2-CG 4.35Å; R108-V149 HydrophobicContact CB-CG1 4.24Å; R108-V149 HydrophobicContact CG-CG1 4.23Å
109	E	93.1	Very high	96.9	Very high	152 Å²	152	42.7 Å²	42.7	71%	0.71	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-33.4	179.2	-60.1	71.2	-151.4	0	0	111.8	T107	T107-E109 WeakPolarHBondContact CB-OE2 3.35Å; T107-E109 PolarHBondContact O-N 3.31Å; T107-E109 PolarHBondContact OG1-OE2 3.05Å
110	A	95.6	Very high	96.9	Very high	73 Å²	73	38.9 Å²	38.9	60%	0.603	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-28.1	-179.7	0	0	0	0	0	112.8	T107	T107-A110 PolarHBondContact O-N 3.2Å; T107-A110 VanDerWaalsContact O-N 3.13Å; T107-A110 WeakPolarHBondContact OG1-CB 3.37Å; T107-A110 PolarHBondContact OG1-N 3.02Å
111	A	95.5	Very high	96.9	Very high	6 Å²	6	36.1 Å²	36.1	5%	0.05	19%	0.194	C	C	.	.			trans	-84.2	120.2	-178.5	0	0	0	0	0	112.1	V65 V67 T107 V149	V65-A111 HydrophobicContact CG2-CB 3.72Å; V67-A111 HydrophobicContact CG1-CB 3.82Å; T107-A111 WeakPolarHBondContact O-CB 3.23Å; T107-A111 PolarHBondContact O-N 2.81Å; A111-V149 HydrophobicContact CB-CG2 4.03Å; A111-V149 WeakPolarHBondContact O-CB 3.48Å
112	E	95	Very high	96.6	Very high	117 Å²	117	37 Å²	37	55%	0.547	20%	0.201	S	C	.	.	S	Bend	trans	-78.7	-41.9	168	177.3	150.1	-117.2	0	0	111.9	V149 R151	E112-V149 PolarHBondContact O-N 3Å; E112-R151 IonicContact OE1-CZ 3.28Å; E112-R151 IonicContact OE1-NH1 2.52Å; E112-R151 PolarHBondContact OE1-NH1 2.81Å; E112-R151 IonicContact OE1-NH2 3.94Å; E112-R151 PolarHBondContact OE1-NH2 3.04Å
113	T	96.4	Very high	95.8	Very high	59 Å²	59	41.3 Å²	41.3	36%	0.362	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	149.2	176.5	59.9	0	0	0	0	110.5	G147	T113-G147 CarbonylContact C-O 3.47Å; T113-G147 WeakPolarHBondContact CA-O 3.3Å; T113-G147 WeakPolarHBondContact CB-O 3.37Å
114	A	97.9	Very high	94.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	162.3	175.3	0	0	0	0	0	110.5	P10 V65 V66 C116 M146 G147 V149	P10-A114 HydrophobicContact CB-CB 3.91Å; V65-A114 HydrophobicContact CB-CB 3.89Å; V65-A114 HydrophobicContact CG2-CB 3.85Å; V66-A114 CarbonylContact O-C 3.47Å; V66-A114 WeakPolarHBondContact O-CA 3.45Å; V66-A114 WeakPolarHBondContact O-CB 3.07Å; A114-C116 PolarHBondContact O-N 3.46Å; A114-M146 CarbonylContact O-C 3.47Å; A114-M146 WeakPolarHBondContact O-CA 3.46Å; A114-G147 PolarHBondContact N-O 2.99Å; A114-G147 PolarHBondContact O-N 2.78Å; A114-V149 HydrophobicContact CB-CG2 3.51Å
115	V	98.3	Very high	93	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	123.5	169.6	173.7	0	0	0	0	108.2	I11 V66 M69 I118 Y144 R145 M146	I11-V115 HydrophobicContact CB-CG1 4.49Å; I11-V115 VanDerWaalsContact CB-O 3.31Å; I11-V115 WeakPolarHBondContact CB-O 3.4Å; I11-V115 HydrophobicContact CD1-CG1 3.97Å; I11-V115 PolarHBondContact N-O 3.16Å; V66-V115 HydrophobicContact CB-CB 4.25Å; V66-V115 HydrophobicContact CG1-CB 4.03Å; V66-V115 HydrophobicContact CG1-CG2 3.88Å; V66-V115 PolarHBondContact O-N 2.75Å; M69-V115 HydrophobicContact SD-CG1 4.32Å; V115-I118 HydrophobicContact CG1-CD1 4.32Å; V115-I118 HydrophobicContact CG1-CG1 3.92Å; V115-Y144 HydrophobicContact CG1-CG 4.28Å; V115-Y144 HydrophobicContact CG2-CD1 4.33Å; V115-Y144 HydrophobicContact CG2-CD2 3.85Å; V115-Y144 HydrophobicContact CG2-CE2 4.24Å; V115-Y144 HydrophobicContact CG2-CG 3.93Å; V115-R145 WeakPolarHBondContact CA-O 3.46Å; V115-M146 HydrophobicContact CB-SD 4.43Å; V115-M146 HydrophobicContact CG2-SD 3.67Å
116	C	96.8	Very high	91.4	Very high	7 Å²	7	50 Å²	50	5%	0.047	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	-23.6	-177.3	70.3	0	0	0	0	112.6	L8 R59 A114 R145	L8-C116 HydrophobicContact CB-CB 4.38Å; L8-C116 WeakPolarHBondContact O-CB 3.47Å; R59-C116 PolarHBondContact NE-O 2.97Å; R59-C116 VanDerWaalsContact NE-O 3.16Å; R59-C116 PolarHBondContact NH2-O 3.26Å; A114-C116 PolarHBondContact O-N 3.46Å; C116-R145 PolarHBondContact N-O 3.42Å; C116-R145 PolarHBondContact SG-O 2.92Å; C116-R145 VanDerWaalsContact SG-O 3.37Å
117	D	96.9	Very high	90	Very high	18 Å²	18	57 Å²	57	10%	0.096	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	151.5	173.3	-157.9	30.8	0	0	0	112.3	L8 R59 Q119 Y131 Y144 R145	L8-D117 HydrophobicContact CD1-CB 3.69Å; R59-D117 IonicContact NH2-OD1 3.21Å; R59-D117 PolarHBondContact NH2-OD1 2.78Å; D117-Q119 PolarHBondContact OD2-NE2 2.9Å; D117-Y131 HydrophobicContact CB-CE1 4.18Å; D117-Y131 PolarHBondContact OD2-OH 2.97Å; D117-Y144 CarbonylContact O-C 3.57Å; D117-Y144 WeakPolarHBondContact O-CA 3.37Å; D117-Y144 WeakPolarHBondContact O-CB 3.09Å; D117-R145 HydrophobicContact CB-CB 4.26Å; D117-R145 PolarHBondContact N-O 3.13Å; D117-R145 PolarHBondContact O-N 2.7Å
118	I	98.1	Very high	89.5	Confident	5 Å²	5	56 Å²	56	3%	0.026	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	127	175.7	-60.1	169	0	0	0	108	I11 V14 L55 F57 M69 V115 I142 W143	I11-I118 HydrophobicContact CD1-CD1 3.82Å; I11-I118 HydrophobicContact CD1-CG1 3.82Å; V14-I118 HydrophobicContact CG2-CD1 3.71Å; L55-I118 HydrophobicContact CD1-CG2 4.16Å; L55-I118 HydrophobicContact CD2-CB 4.39Å; L55-I118 HydrophobicContact CD2-CD1 4.1Å; L55-I118 HydrophobicContact CD2-CG2 3.75Å; F57-I118 HydrophobicContact CB-CD1 4.06Å; F57-I118 HydrophobicContact CD1-CB 4.11Å; F57-I118 HydrophobicContact CD1-CD1 3.86Å; F57-I118 HydrophobicContact CD1-CG1 4.38Å; F57-I118 HydrophobicContact CE1-CB 4.18Å; F57-I118 HydrophobicContact CG-CD1 4.1Å; M69-I118 HydrophobicContact CE-CD1 3.96Å; M69-I118 HydrophobicContact SD-CD1 3.6Å; M69-I118 HydrophobicContact SD-CG1 4.08Å; V115-I118 HydrophobicContact CG1-CD1 4.32Å; V115-I118 HydrophobicContact CG1-CG1 3.92Å; I118-I142 HydrophobicContact CG2-CG2 4.37Å; I118-W143 CarbonylContact C-O 3.56Å; I118-W143 VanDerWaalsContact CA-O 3.3Å; I118-W143 WeakPolarHBondContact CA-O 3.49Å
119	Q	96.5	Very high	89.1	Confident	48 Å²	48	59.6 Å²	59.6	22%	0.224	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	152.4	178.7	-65.4	-169.5	5.5	0	0	110.7	T34 D117 L128 Y131 W143	T34-Q119 HydrophobicContact CG2-CB 4.19Å; D117-Q119 PolarHBondContact OD2-NE2 2.9Å; Q119-L128 HydrophobicContact CB-CD1 3.7Å; Q119-L128 HydrophobicContact CG-CD1 4.49Å; Q119-Y131 HydrophobicContact CB-CE1 4.2Å; Q119-Y131 HydrophobicContact CG-CE1 3.79Å; Q119-Y131 PolarHBondContact NE2-OH 2.89Å; Q119-W143 PolarHBondContact N-O 2.98Å; Q119-W143 PolarHBondContact O-N 2.88Å
120	I	97.3	Very high	89	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.005	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	130.8	175.4	-60.7	173.1	0	0	0	107.7	V30 T33 T34 A39 L41 L55 M140 G141 I142	V30-I120 HydrophobicContact CB-CD1 4.04Å; V30-I120 HydrophobicContact CG1-CB 4.27Å; V30-I120 HydrophobicContact CG1-CD1 3.69Å; V30-I120 HydrophobicContact CG1-CG1 3.91Å; T33-I120 CarbonylContact C-O 3.56Å; T33-I120 WeakPolarHBondContact CA-O 3.34Å; T33-I120 VanDerWaalsContact CB-O 3.29Å; T33-I120 WeakPolarHBondContact CB-O 3.46Å; T33-I120 HydrophobicContact CG2-CB 4.49Å; T33-I120 HydrophobicContact CG2-CG2 3.87Å; T34-I120 PolarHBondContact N-O 3.25Å; A39-I120 HydrophobicContact CB-CD1 4.02Å; A39-I120 HydrophobicContact CB-CG2 4.48Å; L41-I120 HydrophobicContact CD2-CD1 3.87Å; L55-I120 HydrophobicContact CB-CD1 4.35Å; I120-M140 HydrophobicContact CG2-CB 3.7Å; I120-M140 HydrophobicContact CG2-CG 4.25Å; I120-M140 HydrophobicContact CG2-SD 3.8Å; I120-G141 CarbonylContact C-O 3.47Å; I120-G141 VanDerWaalsContact CA-O 3.3Å; I120-G141 WeakPolarHBondContact CA-O 3.5Å; I120-I142 HydrophobicContact CG1-CG1 4.42Å
121	T	95.6	Very high	88.9	Confident	2 Å²	2	56.4 Å²	56.4	1%	0.012	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	151.7	177	65.4	0	0	0	0	110.3	T34 K125 L128 M140 G141 W143	T34-T121 HydrophobicContact CG2-CG2 4.12Å; T34-T121 WeakPolarHBondContact OG1-CG2 3.06Å; T121-K125 PolarHBondContact OG1-O 3.2Å; T121-L128 HydrophobicContact CG2-CD1 3.64Å; T121-L128 HydrophobicContact CG2-CD2 4.24Å; T121-L128 HydrophobicContact CG2-CG 3.79Å; T121-M140 CarbonylContact O-C 3.56Å; T121-M140 WeakPolarHBondContact O-CA 3.36Å; T121-M140 WeakPolarHBondContact O-CB 3.48Å; T121-G141 PolarHBondContact N-O 3.27Å; T121-G141 PolarHBondContact O-N 2.79Å; T121-W143 PolarHBondContact OG1-NE1 3.48Å
122	A	92.2	Very high	88.9	Confident	18 Å²	18	59.4 Å²	59.4	15%	0.149	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	146.6	161.8	0	0	0	0	0	110.1	D35 S124 K125	D35-A122 VanDerWaalsContact OD2-CB 3.27Å; D35-A122 WeakPolarHBondContact OD2-CB 3.34Å; A122-S124 PolarHBondContact O-N 2.85Å; A122-K125 PolarHBondContact O-N 2.82Å
123	K	81.6	Confident	89	Confident	90 Å²	90	56.9 Å²	56.9	39%	0.391	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-33.4	178.7	-172.4	177.4	-171.4	134.3	0	113.4	K125 F126 E136 N139	K123-K125 PolarHBondContact O-N 2.68Å; K123-F126 HydrophobicContact CB-CE2 4.48Å; K123-F126 HydrophobicContact CB-CZ 4.44Å; K123-F126 HydrophobicContact CD-CE2 4.46Å; K123-F126 HydrophobicContact CD-CZ 4.39Å; K123-F126 HydrophobicContact CG-CE2 3.44Å; K123-F126 VanDerWaalsContact CG-CE2 3.44Å; K123-F126 HydrophobicContact CG-CZ 3.43Å; K123-F126 VanDerWaalsContact CG-CZ 3.43Å; K123-F126 WeakPolarHBondContact O-CD2 3.09Å; K123-F126 WeakPolarHBondContact O-CE2 3.45Å; K123-E136 WeakPolarHBondContact CD-OE1 3.29Å; K123-E136 WeakPolarHBondContact CE-OE2 3.47Å; K123-E136 VanDerWaalsContact NZ-CD 3.3Å; K123-E136 IonicContact NZ-OE1 3.37Å; K123-E136 PolarHBondContact NZ-OE1 2.82Å; K123-E136 IonicContact NZ-OE2 2.96Å; K123-E136 PolarHBondContact NZ-OE2 2.82Å; K123-N139 VanDerWaalsContact CB-O 3.24Å; K123-N139 WeakPolarHBondContact CB-O 3.37Å; K123-N139 PolarHBondContact N-O 3.48Å
124	S	72.3	Confident	89	Confident	103 Å²	103	54.7 Å²	54.7	72%	0.72	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-13.7	-177.3	52.6	0	0	0	0	114.8	A122	A122-S124 PolarHBondContact O-N 2.85Å
125	K	66.9	Low	88.8	Confident	119 Å²	119	55.3 Å²	55.3	52%	0.517	30%	0.297	S	S	.	.			trans	-120.5	88.4	-179.2	-63.5	-174.2	-177.7	174.4	0	109.7	T121 A122 K123 Q127	T121-K125 PolarHBondContact OG1-O 3.2Å; A122-K125 PolarHBondContact O-N 2.82Å; K123-K125 PolarHBondContact O-N 2.68Å; K125-Q127 PolarHBondContact O-N 2.71Å
126	F	63.6	Low	88.6	Confident	99 Å²	99	58.2 Å²	58.2	43%	0.434	31%	0.31	S	S	.	.			trans	-89.7	6.6	-161.8	-102.7	-59	0	0	0	117.1	K123 W143	K123-F126 HydrophobicContact CB-CE2 4.48Å; K123-F126 HydrophobicContact CB-CZ 4.44Å; K123-F126 HydrophobicContact CD-CE2 4.46Å; K123-F126 HydrophobicContact CD-CZ 4.39Å; K123-F126 HydrophobicContact CG-CE2 3.44Å; K123-F126 VanDerWaalsContact CG-CE2 3.44Å; K123-F126 HydrophobicContact CG-CZ 3.43Å; K123-F126 VanDerWaalsContact CG-CZ 3.43Å; K123-F126 WeakPolarHBondContact O-CD2 3.09Å; K123-F126 WeakPolarHBondContact O-CE2 3.45Å; F126-W143 HydrophobicContact CD1-CZ2 4.33Å; F126-W143 WeakPolarHBondContact O-CH2 3.17Å; F126-W143 VanDerWaalsContact O-CZ2 3.24Å; F126-W143 WeakPolarHBondContact O-CZ2 3.22Å
127	Q	69	Low	88.5	Confident	180 Å²	180	58.7 Å²	58.7	84%	0.841	31%	0.312	S	S	*	.			trans	-146.4	112.7	-179.4	-106.2	152.8	-2.9	0	0	112.2	K125	K125-Q127 PolarHBondContact O-N 2.71Å
128	L	85.6	Confident	88.3	Confident	36 Å²	36	60.2 Å²	60.2	19%	0.188	32%	0.32	C	S	.	.			trans	-91.1	123.4	160.6	-71.7	172.9	0	0	0	107.9	T34 Q119 T121 N130 Y131 W143	T34-L128 HydrophobicContact CG2-CD2 4.48Å; Q119-L128 HydrophobicContact CB-CD1 3.7Å; Q119-L128 HydrophobicContact CG-CD1 4.49Å; T121-L128 HydrophobicContact CG2-CD1 3.64Å; T121-L128 HydrophobicContact CG2-CD2 4.24Å; T121-L128 HydrophobicContact CG2-CG 3.79Å; L128-N130 PolarHBondContact O-N 3.47Å; L128-Y131 HydrophobicContact CB-CD2 3.63Å; L128-Y131 HydrophobicContact CB-CE2 4.46Å; L128-Y131 HydrophobicContact CB-CG 3.75Å; L128-Y131 HydrophobicContact CD1-CD1 4.21Å; L128-Y131 HydrophobicContact CD1-CD2 4.41Å; L128-Y131 HydrophobicContact CD1-CG 4.13Å; L128-Y131 PolarHBondContact O-N 3.49Å; L128-W143 HydrophobicContact CD1-CB 3.89Å; L128-W143 HydrophobicContact CD1-CD2 4.49Å; L128-W143 HydrophobicContact CD1-CG 3.86Å
129	V	86.9	Confident	88.1	Confident	119 Å²	119	64.4 Å²	64.4	72%	0.721	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	131.8	177.5	-177.6	0	0	0	0	109	Y131	V129-Y131 VanDerWaalsContact C-N 3.3Å; V129-Y131 WeakPolarHBondContact O-CD2 3.47Å; V129-Y131 PolarHBondContact O-N 2.91Å
130	N	90.3	Very high	88	Confident	124 Å²	124	62.8 Å²	62.8	66%	0.663	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.8	20.9	-176.8	-49.8	-44.6	0	0	0	115.3	L128 R145	L128-N130 PolarHBondContact O-N 3.47Å; N130-R145 WeakPolarHBondContact O-CG 3.29Å
131	Y	94.9	Very high	87.9	Confident	34 Å²	34	62.8 Å²	62.8	13%	0.133	34%	0.336	C	S	.	.			trans	-115.5	147.2	170.7	-73	-109.4	0	0	0	111.3	D117 Q119 L128 V129 W143 Y144 R145	D117-Y131 HydrophobicContact CB-CE1 4.18Å; D117-Y131 PolarHBondContact OD2-OH 2.97Å; Q119-Y131 HydrophobicContact CB-CE1 4.2Å; Q119-Y131 HydrophobicContact CG-CE1 3.79Å; Q119-Y131 PolarHBondContact NE2-OH 2.89Å; L128-Y131 HydrophobicContact CB-CD2 3.63Å; L128-Y131 HydrophobicContact CB-CE2 4.46Å; L128-Y131 HydrophobicContact CB-CG 3.75Å; L128-Y131 HydrophobicContact CD1-CD1 4.21Å; L128-Y131 HydrophobicContact CD1-CD2 4.41Å; L128-Y131 HydrophobicContact CD1-CG 4.13Å; L128-Y131 PolarHBondContact O-N 3.49Å; V129-Y131 VanDerWaalsContact C-N 3.3Å; V129-Y131 WeakPolarHBondContact O-CD2 3.47Å; V129-Y131 PolarHBondContact O-N 2.91Å; Y131-W143 HydrophobicContact CD1-CB 3.95Å; Y131-W143 HydrophobicContact CG-CB 4.35Å; Y131-Y144 CarbonylContact C-O 3.52Å; Y131-Y144 WeakPolarHBondContact CA-O 3.08Å; Y131-Y144 WeakPolarHBondContact CB-O 3.46Å; Y131-Y144 WeakPolarHBondContact CD1-O 3.4Å; Y131-R145 HydrophobicContact CD1-CB 3.79Å; Y131-R145 HydrophobicContact CD2-CB 4.27Å; Y131-R145 HydrophobicContact CE1-CB 3.54Å; Y131-R145 HydrophobicContact CE2-CB 4.07Å; Y131-R145 HydrophobicContact CG-CB 4.12Å
132	T	95.8	Very high	88	Confident	68 Å²	68	62.7 Å²	62.7	42%	0.417	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	134.9	172.7	-56.6	0	0	0	0	109.6	W143 Y144	T132-W143 VanDerWaalsContact O-CA 3.32Å; T132-W143 WeakPolarHBondContact O-CA 3.34Å; T132-Y144 HydrophobicContact CG2-CE1 4.33Å; T132-Y144 HydrophobicContact CG2-CE2 4.22Å; T132-Y144 PolarHBondContact N-O 3.31Å; T132-Y144 PolarHBondContact O-N 2.85Å
133	C	95.3	Very high	88.2	Confident	65 Å²	65	62.6 Å²	62.6	44%	0.439	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	124.6	176	-173	0	0	0	0	110.6	W143	C133-W143 HydrophobicContact CB-CD2 4.37Å; C133-W143 HydrophobicContact CB-CE3 3.82Å; C133-W143 HydrophobicContact CB-CH2 3.82Å; C133-W143 HydrophobicContact CB-CZ2 4.38Å; C133-W143 HydrophobicContact CB-CZ3 3.53Å
134	V	96.7	Very high	89	Confident	12 Å²	12	59.2 Å²	59.2	7%	0.073	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	-35.2	172.9	180	0	0	0	0	110.9	M69 L71 L101 I142 Y144	M69-V134 HydrophobicContact CB-CG1 4.05Å; M69-V134 HydrophobicContact CB-CG2 3.96Å; L71-V134 HydrophobicContact CB-CG1 4.18Å; L71-V134 WeakPolarHBondContact CB-O 3.37Å; L71-V134 PolarHBondContact N-O 2.91Å; L71-V134 VanDerWaalsContact N-O 3.14Å; L101-V134 HydrophobicContact CD1-CG1 4.22Å; V134-I142 HydrophobicContact CB-CB 4.06Å; V134-I142 HydrophobicContact CB-CG2 3.96Å; V134-I142 WeakPolarHBondContact CB-O 3.38Å; V134-I142 HydrophobicContact CG1-CG2 4.36Å; V134-I142 HydrophobicContact CG2-CG2 4.05Å; V134-I142 PolarHBondContact N-O 3.46Å; V134-Y144 HydrophobicContact CG2-CD1 3.36Å; V134-Y144 HydrophobicContact CG2-CE1 3.89Å; V134-Y144 HydrophobicContact CG2-CG 4.39Å
135	G	94.6	Very high	90.1	Very high	13 Å²	13	57.5 Å²	57.5	13%	0.134	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	147.6	175.8	179.7	0	0	0	0	0	112.9	I142	G135-I142 PolarHBondContact O-N 2.9Å
136	E	93.8	Very high	91.6	Very high	61 Å²	61	54.7 Å²	54.7	29%	0.285	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	134.6	-179.4	-168.5	-171.3	144.2	0	0	111.4	L71 K123 M140	L71-E136 WeakPolarHBondContact CD2-O 2.99Å; K123-E136 WeakPolarHBondContact CD-OE1 3.29Å; K123-E136 WeakPolarHBondContact CE-OE2 3.47Å; K123-E136 VanDerWaalsContact NZ-CD 3.3Å; K123-E136 IonicContact NZ-OE1 3.37Å; K123-E136 PolarHBondContact NZ-OE1 2.82Å; K123-E136 IonicContact NZ-OE2 2.96Å; K123-E136 PolarHBondContact NZ-OE2 2.82Å; E136-M140 CarbonylContact C-O 3.42Å; E136-M140 VanDerWaalsContact CA-O 3.28Å; E136-M140 WeakPolarHBondContact CA-O 3.49Å; E136-M140 WeakPolarHBondContact CG-O 3.12Å
137	I	94.6	Very high	93.1	Very high	17 Å²	17	51 Å²	51	9%	0.087	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	143	168.1	-162.6	171.8	0	0	0	111.1	L41 L71 M96 R99 N139 M140 I142	L41-I137 HydrophobicContact CB-CG2 4.09Å; L41-I137 HydrophobicContact CD2-CG2 3.79Å; L41-I137 HydrophobicContact CG-CG2 4.39Å; L71-I137 HydrophobicContact CD2-CB 3.97Å; L71-I137 HydrophobicContact CD2-CG2 4.49Å; M96-I137 HydrophobicContact CE-CD1 3.33Å; M96-I137 HydrophobicContact CE-CG2 4.35Å; R99-I137 HydrophobicContact CB-CD1 4.46Å; I137-N139 PolarHBondContact O-N 3.03Å; I137-M140 PolarHBondContact N-O 2.87Å; I137-M140 WeakPolarHBondContact O-CA 3.39Å; I137-M140 WeakPolarHBondContact O-CB 3.45Å; I137-M140 PolarHBondContact O-N 2.98Å; I137-M140 VanDerWaalsContact O-O 3.12Å; I137-I142 HydrophobicContact CG2-CD1 3.97Å
138	N	93.9	Very high	94.2	Very high	50 Å²	50	48.7 Å²	48.7	27%	0.267	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	40.1	-179.9	-159.1	31.5	0	0	0	113.9	D40 W42 K43 M140	D40-N138 PolarHBondContact O-ND2 3.05Å; W42-N138 PolarHBondContact O-ND2 2.87Å; K43-N138 HydrophobicContact CB-CB 4.45Å; K43-N138 VanDerWaalsContact CB-OD1 3.32Å; K43-N138 WeakPolarHBondContact CB-OD1 3.28Å; N138-M140 HydrophobicContact CB-CE 4.15Å; N138-M140 PolarHBondContact O-N 2.94Å
139	N	92.5	Very high	94.6	Very high	94 Å²	94	47.3 Å²	47.3	50%	0.503	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.1	27.8	-175.3	-52	-21.3	0	0	0	113.9	K123 I137	K123-N139 VanDerWaalsContact CB-O 3.24Å; K123-N139 WeakPolarHBondContact CB-O 3.37Å; K123-N139 PolarHBondContact N-O 3.48Å; I137-N139 PolarHBondContact O-N 3.03Å
140	M	94.6	Very high	94.5	Very high	13 Å²	13	46.1 Å²	46.1	6%	0.064	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	141.9	174.6	-61.4	-177.6	-73.2	0	0	110.6	T33 D40 L41 I120 T121 E136 I137 N138	T33-M140 HydrophobicContact CG2-CG 4.22Å; T33-M140 HydrophobicContact CG2-SD 3.45Å; T33-M140 WeakPolarHBondContact CG2-SD 3.47Å; D40-M140 VanDerWaalsContact C-CE 3.49Å; D40-M140 WeakPolarHBondContact O-CE 3.39Å; L41-M140 HydrophobicContact CD2-CE 3.74Å; I120-M140 HydrophobicContact CG2-CB 3.7Å; I120-M140 HydrophobicContact CG2-CG 4.25Å; I120-M140 HydrophobicContact CG2-SD 3.8Å; T121-M140 CarbonylContact O-C 3.56Å; T121-M140 WeakPolarHBondContact O-CA 3.36Å; T121-M140 WeakPolarHBondContact O-CB 3.48Å; E136-M140 CarbonylContact C-O 3.42Å; E136-M140 VanDerWaalsContact CA-O 3.28Å; E136-M140 WeakPolarHBondContact CA-O 3.49Å; E136-M140 WeakPolarHBondContact CG-O 3.12Å; I137-M140 PolarHBondContact N-O 2.87Å; I137-M140 WeakPolarHBondContact O-CA 3.39Å; I137-M140 WeakPolarHBondContact O-CB 3.45Å; I137-M140 PolarHBondContact O-N 2.98Å; I137-M140 VanDerWaalsContact O-O 3.12Å; N138-M140 HydrophobicContact CB-CE 4.15Å; N138-M140 PolarHBondContact O-N 2.94Å
141	G	95.2	Very high	94	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.01	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	130.2	172.1	0	0	0	0	0	110.5	I120 T121 W143	I120-G141 CarbonylContact C-O 3.47Å; I120-G141 VanDerWaalsContact CA-O 3.3Å; I120-G141 WeakPolarHBondContact CA-O 3.5Å; T121-G141 PolarHBondContact N-O 3.27Å; T121-G141 PolarHBondContact O-N 2.79Å; G141-W143 PolarHBondContact O-NE1 2.93Å
142	I	97.1	Very high	92.4	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	131.4	170.6	-56.8	173.5	0	0	0	107.9	L41 L55 I118 I120 V134 G135 I137	L41-I142 HydrophobicContact CD1-CD1 4.02Å; L41-I142 HydrophobicContact CD2-CD1 4.22Å; L41-I142 HydrophobicContact CD2-CG1 4.41Å; L55-I142 HydrophobicContact CD1-CG2 4.17Å; I118-I142 HydrophobicContact CG2-CG2 4.37Å; I120-I142 HydrophobicContact CG1-CG1 4.42Å; V134-I142 HydrophobicContact CB-CB 4.06Å; V134-I142 HydrophobicContact CB-CG2 3.96Å; V134-I142 WeakPolarHBondContact CB-O 3.38Å; V134-I142 HydrophobicContact CG1-CG2 4.36Å; V134-I142 HydrophobicContact CG2-CG2 4.05Å; V134-I142 PolarHBondContact N-O 3.46Å; G135-I142 PolarHBondContact O-N 2.9Å; I137-I142 HydrophobicContact CG2-CD1 3.97Å
143	W	97.3	Very high	90.5	Very high	17 Å²	17	59 Å²	59	6%	0.064	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	145.3	-174.6	-58.6	87.3	0	0	0	110.5	I118 Q119 T121 F126 L128 Y131 T132 C133 G141	I118-W143 CarbonylContact C-O 3.56Å; I118-W143 VanDerWaalsContact CA-O 3.3Å; I118-W143 WeakPolarHBondContact CA-O 3.49Å; Q119-W143 PolarHBondContact N-O 2.98Å; Q119-W143 PolarHBondContact O-N 2.88Å; T121-W143 PolarHBondContact OG1-NE1 3.48Å; F126-W143 HydrophobicContact CD1-CZ2 4.33Å; F126-W143 WeakPolarHBondContact O-CH2 3.17Å; F126-W143 VanDerWaalsContact O-CZ2 3.24Å; F126-W143 WeakPolarHBondContact O-CZ2 3.22Å; L128-W143 HydrophobicContact CD1-CB 3.89Å; L128-W143 HydrophobicContact CD1-CD2 4.49Å; L128-W143 HydrophobicContact CD1-CG 3.86Å; Y131-W143 HydrophobicContact CD1-CB 3.95Å; Y131-W143 HydrophobicContact CG-CB 4.35Å; T132-W143 VanDerWaalsContact O-CA 3.32Å; T132-W143 WeakPolarHBondContact O-CA 3.34Å; C133-W143 HydrophobicContact CB-CD2 4.37Å; C133-W143 HydrophobicContact CB-CE3 3.82Å; C133-W143 HydrophobicContact CB-CH2 3.82Å; C133-W143 HydrophobicContact CB-CZ2 4.38Å; C133-W143 HydrophobicContact CB-CZ3 3.53Å; G141-W143 PolarHBondContact O-NE1 2.93Å
144	Y	97.8	Very high	88.1	Confident	19 Å²	19	59.8 Å²	59.8	8%	0.075	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	156.7	167.9	69.4	-112.6	0	0	0	112	D68 M69 V115 D117 Y131 T132 V134 M146	D68-Y144 PolarHBondContact OD1-OH 2.88Å; M69-Y144 HydrophobicContact CB-CD1 3.96Å; M69-Y144 HydrophobicContact CB-CE1 4.1Å; M69-Y144 HydrophobicContact CG-CD1 4.34Å; M69-Y144 HydrophobicContact SD-CD1 4.34Å; V115-Y144 HydrophobicContact CG1-CG 4.28Å; V115-Y144 HydrophobicContact CG2-CD1 4.33Å; V115-Y144 HydrophobicContact CG2-CD2 3.85Å; V115-Y144 HydrophobicContact CG2-CE2 4.24Å; V115-Y144 HydrophobicContact CG2-CG 3.93Å; D117-Y144 CarbonylContact O-C 3.57Å; D117-Y144 WeakPolarHBondContact O-CA 3.37Å; D117-Y144 WeakPolarHBondContact O-CB 3.09Å; Y131-Y144 CarbonylContact C-O 3.52Å; Y131-Y144 WeakPolarHBondContact CA-O 3.08Å; Y131-Y144 WeakPolarHBondContact CB-O 3.46Å; Y131-Y144 WeakPolarHBondContact CD1-O 3.4Å; T132-Y144 HydrophobicContact CG2-CE1 4.33Å; T132-Y144 HydrophobicContact CG2-CE2 4.22Å; T132-Y144 PolarHBondContact N-O 3.31Å; T132-Y144 PolarHBondContact O-N 2.85Å; V134-Y144 HydrophobicContact CG2-CD1 3.36Å; V134-Y144 HydrophobicContact CG2-CE1 3.89Å; V134-Y144 HydrophobicContact CG2-CG 4.39Å; Y144-M146 HydrophobicContact CD2-CG 4.2Å; Y144-M146 HydrophobicContact CD2-SD 3.75Å; Y144-M146 HydrophobicContact CE2-CG 3.81Å; Y144-M146 HydrophobicContact CE2-SD 3.43Å; Y144-M146 WeakPolarHBondContact CE2-SD 3.46Å
145	R	96.6	Very high	85.7	Confident	67 Å²	67	64.7 Å²	64.7	25%	0.253	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	139.5	169.7	175.8	175.5	178.3	-154.1	1.8	109.7	S5 V115 C116 D117 N130 Y131	S5-R145 PolarHBondContact O-NH1 3.47Å; V115-R145 WeakPolarHBondContact CA-O 3.46Å; C116-R145 PolarHBondContact N-O 3.42Å; C116-R145 PolarHBondContact SG-O 2.92Å; C116-R145 VanDerWaalsContact SG-O 3.37Å; D117-R145 HydrophobicContact CB-CB 4.26Å; D117-R145 PolarHBondContact N-O 3.13Å; D117-R145 PolarHBondContact O-N 2.7Å; N130-R145 WeakPolarHBondContact O-CG 3.29Å; Y131-R145 HydrophobicContact CD1-CB 3.79Å; Y131-R145 HydrophobicContact CD2-CB 4.27Å; Y131-R145 HydrophobicContact CE1-CB 3.54Å; Y131-R145 HydrophobicContact CE2-CB 4.07Å; Y131-R145 HydrophobicContact CG-CB 4.12Å
146	M	96.8	Very high	83.5	Confident	59 Å²	59	71.8 Å²	71.8	29%	0.291	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	148	172.9	-59.4	-58.4	-76.8	0	0	110.8	V67 A114 V115 Y144	V67-M146 WeakPolarHBondContact O-CE 3.43Å; A114-M146 CarbonylContact O-C 3.47Å; A114-M146 WeakPolarHBondContact O-CA 3.46Å; V115-M146 HydrophobicContact CB-SD 4.43Å; V115-M146 HydrophobicContact CG2-SD 3.67Å; Y144-M146 HydrophobicContact CD2-CG 4.2Å; Y144-M146 HydrophobicContact CD2-SD 3.75Å; Y144-M146 HydrophobicContact CE2-CG 3.81Å; Y144-M146 HydrophobicContact CE2-SD 3.43Å; Y144-M146 WeakPolarHBondContact CE2-SD 3.46Å
147	G	94.9	Very high	81.1	Confident	21 Å²	21	76.5 Å²	76.5	22%	0.216	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	165.4	171.2	0	0	0	0	0	111.4	T113 A114	T113-G147 CarbonylContact C-O 3.47Å; T113-G147 WeakPolarHBondContact CA-O 3.3Å; T113-G147 WeakPolarHBondContact CB-O 3.37Å; A114-G147 PolarHBondContact N-O 2.99Å; A114-G147 PolarHBondContact O-N 2.78Å
148	D	94	Very high	78.5	Confident	132 Å²	132	81.4 Å²	81.4	71%	0.706	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.7	139.1	179.4	-62.4	-31.4	0	0	0	111.1	P150	D148-P150 WeakPolarHBondContact O-CD 3.32Å
149	V	93.2	Very high	75.8	Confident	7 Å²	7	89.9 Å²	89.9	4%	0.042	46%	0.455	C	S	.	.			trans	-83.5	118.5	169	-176.1	0	0	0	0	108	P10 V65 R108 A111 E112 A114 R151	P10-V149 HydrophobicContact CG-CB 4.44Å; P10-V149 HydrophobicContact CG-CG1 4.3Å; P10-V149 HydrophobicContact CG-CG2 4.27Å; V65-V149 HydrophobicContact CG2-CG2 4.28Å; R108-V149 HydrophobicContact CB-CG1 4.24Å; R108-V149 HydrophobicContact CG-CG1 4.23Å; A111-V149 HydrophobicContact CB-CG2 4.03Å; A111-V149 WeakPolarHBondContact O-CB 3.48Å; E112-V149 PolarHBondContact O-N 3Å; A114-V149 HydrophobicContact CB-CG2 3.51Å; V149-R151 PolarHBondContact O-N 3.14Å
150	P	85.4	Confident	73.3	Confident	94 Å²	94	90.7 Å²	90.7	61%	0.61	47%	0.468	S	S	*	.			trans	-61.7	110.3	177	-21.9	33.5	0	0	0	109.8	D148 S152	D148-P150 WeakPolarHBondContact O-CD 3.32Å; P150-S152 PolarHBondContact O-N 2.91Å
151	R	78.5	Confident	70.7	Confident	153 Å²	153	94 Å²	94	58%	0.577	50%	0.497	S	S	*	.			trans	-69.9	125.3	171.4	-66.5	-175.3	-178.9	112.7	-2.6	107.7	E112 V149 R153	E112-R151 IonicContact OE1-CZ 3.28Å; E112-R151 IonicContact OE1-NH1 2.52Å; E112-R151 PolarHBondContact OE1-NH1 2.81Å; E112-R151 IonicContact OE1-NH2 3.94Å; E112-R151 PolarHBondContact OE1-NH2 3.04Å; V149-R151 PolarHBondContact O-N 3.14Å; R151-R153 VanDerWaalsContact C-N 3.33Å; R151-R153 PolarHBondContact O-N 2.87Å
152	S	62.1	Low	68.2	Low	114 Å²	114	100 Å²	100	80%	0.797	54%	0.536	S	S	*	.			trans	-57.8	103.8	162.8	179.4	0	0	0	0	106.6	P150 S154	P150-S152 PolarHBondContact O-N 2.91Å; S152-S154 PolarHBondContact O-N 2.92Å
153	R	55.1	Low	65.4	Low	230 Å²	230	109.8 Å²	109.8	87%	0.868	58%	0.579	S	S	*	*			trans	-67.9	91.7	163.6	-70.7	-170.4	179.8	-156.3	0.2	104.6	R151 S155	R151-R153 VanDerWaalsContact C-N 3.33Å; R151-R153 PolarHBondContact O-N 2.87Å; R153-S155 PolarHBondContact O-N 2.86Å
154	S	46.4	Very low	62.5	Low	81 Å²	81	114.9 Å²	114.9	57%	0.566	61%	0.612	S	S	*	*			trans	-54.5	116.8	155.1	59.2	0	0	0	0	104.7	S152 Q156	S152-S154 PolarHBondContact O-N 2.92Å; S154-Q156 PolarHBondContact O-N 3.28Å
155	S	45.6	Very low	59.6	Low	115 Å²	115	121.2 Å²	121.2	80%	0.804	65%	0.647	S	S	*	*			trans	-66.2	66.8	169	-60.5	0	0	0	0	108	R153 Q157	R153-S155 PolarHBondContact O-N 2.86Å; S155-Q157 PolarHBondContact O-N 3.18Å
156	Q	47.2	Very low	56.6	Low	163 Å²	163	122.8 Å²	122.8	76%	0.762	68%	0.675	S	S	*	*			trans	-77	64.5	155.7	-70.8	-170.8	-8.8	0	0	106.8	S154 T158	S154-Q156 PolarHBondContact O-N 3.28Å; Q156-T158 PolarHBondContact O-N 3.49Å
157	Q	44	Very low	53.9	Low	160 Å²	160	127.6 Å²	127.6	75%	0.748	70%	0.701	S	S	*	*			trans	-71.6	80.8	154.4	-167.8	173.6	44.4	0	0	105.2	S155 R159	S155-Q157 PolarHBondContact O-N 3.18Å; Q157-R159 HydrophobicContact CG-CG 4.46Å; Q157-R159 PolarHBondContact O-N 3.48Å
158	T	40.1	Very low	51	Low	120 Å²	120	137.3 Å²	137.3	74%	0.736	73%	0.732	S	S	*	*			trans	-59	97.2	153.7	29.4	0	0	0	0	105.5	Q156 S160	Q156-T158 PolarHBondContact O-N 3.49Å; T158-S160 PolarHBondContact O-N 2.65Å
159	R	37	Very low	48.1	Very low	227 Å²	227	135.8 Å²	135.8	86%	0.857	73%	0.732	S	S	*	*			trans	-60.1	83.6	161.8	-83	178.4	142.7	-173.9	-5.6	106.9	Q157 A161	Q157-R159 HydrophobicContact CG-CG 4.46Å; Q157-R159 PolarHBondContact O-N 3.48Å; R159-A161 PolarHBondContact O-N 2.79Å
160	S	41.2	Very low	45.1	Very low	111 Å²	111	140.9 Å²	140.9	78%	0.776	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-66.2	116.4	160	39.6	0	0	0	0	106.9	T158	T158-S160 PolarHBondContact O-N 2.65Å
161	A	39.5	Very low	43.1	Very low	83 Å²	83	144 Å²	144	69%	0.686	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-53.3	148.8	173.6	0	0	0	0	0	110.8	R159 K163	R159-A161 PolarHBondContact O-N 2.79Å; A161-K163 PolarHBondContact O-N 3.02Å
162	P	43	Very low	41	Very low	128 Å²	128	141.5 Å²	141.5	83%	0.831	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-71.5	128.4	-176.4	31	-31.9	0	0	0	109
163	K	37.3	Very low	40	Very low	204 Å²	204	147.3 Å²	147.3	89%	0.887	78%	0.784	S	S	*	*			trans	-122.8	130.4	160.5	-73	-169.3	-179.8	-178.1	0	109.4	A161	A161-K163 PolarHBondContact O-N 3.02Å
164	T	37.1	Very low	39.1	Very low	124 Å²	124	143.3 Å²	143.3	76%	0.761	78%	0.778	S	S	*	*			trans	-66.5	148.4	-168.8	-27	0	0	0	0	112.9
165	D	37.2	Very low	38.7	Very low	153 Å²	153	143.8 Å²	143.8	82%	0.818	79%	0.786	S	S	*	*			trans	29.7	121	151.1	-61.3	-21.5	0	0	0	120.5
166	A	32.1	Very low	38.4	Very low	100 Å²	100	145.5 Å²	145.5	83%	0.826	79%	0.785	S	S	*	*				178.6	139.2	107.9	0	0	0	0	0	111.7
167	L	42.1	Very low	38	Very low	160 Å²	160	143 Å²	143	84%	0.838	79%	0.785	S	S	*	*			trans	-46.4	144.4	165.5	-72.2	138.1	0	0	0	112.4
168	Y	32.8	Very low	37.9	Very low	225 Å²	225	145.2 Å²	145.2	88%	0.882	79%	0.787	S	S	*	*				-172.6	126.2	124.9	-92.6	-70.1	0	0	0	110.2
169	S	33.8	Very low	37.6	Very low	99 Å²	99	144.2 Å²	144.2	69%	0.692	78%	0.783	S	S	*	*			trans	14.9	131.4	145.5	-171.6	0	0	0	0	118.6
170	T	30.1	Very low	37.4	Very low	115 Å²	115	142.1 Å²	142.1	71%	0.706	78%	0.782	S	S	*	*				170.7	130	91.7	-52.6	0	0	0	0	109.5	S172	T170-S172 PolarHBondContact O-N 3.48Å
171	I	42.1	Very low	37.2	Very low	158 Å²	158	146.7 Å²	146.7	81%	0.81	78%	0.784	S	S	*	*			trans	-62.8	109.3	173	-66.9	162	0	0	0	109.1
172	S	35.1	Very low	37.2	Very low	101 Å²	101	151.1 Å²	151.1	71%	0.706	79%	0.79	S	S	*	*			trans	-95.3	106.5	168	-66.9	0	0	0	0	109	T170 I174	T170-S172 PolarHBondContact O-N 3.48Å; S172-I174 PolarHBondContact O-N 2.78Å; S172-I174 VanDerWaalsContact O-N 3.11Å
173	R	41.9	Very low	37.3	Very low	237 Å²	237	153.2 Å²	153.2	89%	0.894	79%	0.789	S	S	*	*			trans	-62.6	106.9	168.9	-60.2	-178.4	-146.1	168.6	6	108.2	A175	R173-A175 PolarHBondContact O-N 2.85Å
174	I	36	Very low	37.7	Very low	146 Å²	146	152.1 Å²	152.1	75%	0.749	79%	0.787	S	S	*	*			trans	-83.1	95.8	170.1	-61.8	176.6	0	0	0	106.9	S172 I176	S172-I174 PolarHBondContact O-N 2.78Å; S172-I174 VanDerWaalsContact O-N 3.11Å; I174-I176 HydrophobicContact CG2-CG1 3.88Å; I174-I176 PolarHBondContact O-N 3.18Å
175	A	36.8	Very low	37.7	Very low	90 Å²	90	152.5 Å²	152.5	74%	0.744	79%	0.785	S	S	*	*			trans	-69.1	109.8	159.4	0	0	0	0	0	107.4	R173 S177	R173-A175 PolarHBondContact O-N 2.85Å; A175-S177 PolarHBondContact O-N 2.8Å
176	I	39.6	Very low	38.4	Very low	152 Å²	152	151.3 Å²	151.3	78%	0.779	79%	0.788	S	S	*	*			trans	-82	96.9	170	-59.1	175.7	0	0	0	106.4	I174 R178	I174-I176 HydrophobicContact CG2-CG1 3.88Å; I174-I176 PolarHBondContact O-N 3.18Å; I176-R178 PolarHBondContact O-N 2.88Å
177	S	38.9	Very low	39	Very low	109 Å²	109	149.1 Å²	149.1	76%	0.762	78%	0.776	S	S	*	*			trans	-64.5	115.5	163.4	27.1	0	0	0	0	108.8	A175	A175-S177 PolarHBondContact O-N 2.8Å
178	R	41.4	Very low	39.6	Very low	208 Å²	208	148.4 Å²	148.4	79%	0.785	77%	0.771	S	S	*	*			trans	-61.8	132.7	173	-173.1	178.9	-175	-174.6	0.7	109.2	I176 Q180	I176-R178 PolarHBondContact O-N 2.88Å; R178-Q180 PolarHBondContact O-N 3.13Å
179	P	35.7	Very low	40.6	Very low	99 Å²	99	147.9 Å²	147.9	64%	0.643	77%	0.769	S	S	*	*			trans	-65	126	171.6	24.9	-29.8	0	0	0	109.3	Y181	P179-Y181 PolarHBondContact O-N 3.32Å; P179-Y181 VanDerWaalsContact O-N 3.1Å
180	Q	31.1	Very low	41.8	Very low	183 Å²	183	149.4 Å²	149.4	86%	0.855	77%	0.774	S	S	*	*			trans	-69.2	99.6	-179.9	-170.5	172.9	2.6	0	0	109	R178 Q182	R178-Q180 PolarHBondContact O-N 3.13Å; Q180-Q182 PolarHBondContact O-N 2.86Å
181	Y	36.8	Very low	42.9	Very low	207 Å²	207	151.6 Å²	151.6	81%	0.812	78%	0.779	S	S	*	*			trans	-70.8	115.5	159.9	-84	-88.1	0	0	0	107	P179 Q183	P179-Y181 PolarHBondContact O-N 3.32Å; P179-Y181 VanDerWaalsContact O-N 3.1Å; Y181-Q183 VanDerWaalsContact C-N 3.26Å; Y181-Q183 PolarHBondContact O-N 2.7Å
182	Q	40.9	Very low	44	Very low	175 Å²	175	147.9 Å²	147.9	82%	0.818	77%	0.767	S	S	*	*			trans	-63.1	94.2	165	-76.7	177.8	-24.3	0	0	107.5	Q180 E184	Q180-Q182 PolarHBondContact O-N 2.86Å; Q182-E184 VanDerWaalsContact C-N 3.28Å; Q182-E184 PolarHBondContact O-N 3.33Å
183	Q	44.3	Very low	45.4	Very low	173 Å²	173	147.9 Å²	147.9	81%	0.808	77%	0.773	S	S	*	*			trans	-85.1	81.8	166.5	-169.2	161.9	-33.6	0	0	107	Y181 N185	Y181-Q183 VanDerWaalsContact C-N 3.26Å; Y181-Q183 PolarHBondContact O-N 2.7Å; Q183-N185 VanDerWaalsContact C-N 3.31Å; Q183-N185 PolarHBondContact O-N 3.36Å
184	E	45.2	Very low	46.7	Very low	181 Å²	181	143.2 Å²	143.2	85%	0.846	77%	0.765	S	S	*	*			trans	-65.7	99	156.2	-74.4	-170.3	160.8	0	0	107	Q182	Q182-E184 VanDerWaalsContact C-N 3.28Å; Q182-E184 PolarHBondContact O-N 3.33Å
185	N	39	Very low	48.1	Very low	132 Å²	132	140.3 Å²	140.3	71%	0.706	75%	0.751	S	S	*	*			trans	-148.2	102.8	156.7	-133.7	37.1	0	0	0	109.3	Q183 G187	Q183-N185 VanDerWaalsContact C-N 3.31Å; Q183-N185 PolarHBondContact O-N 3.36Å; N185-G187 PolarHBondContact O-N 2.87Å
186	S	51.8	Low	49.5	Very low	127 Å²	127	142.3 Å²	142.3	89%	0.888	75%	0.749	S	S	*	*			trans	-58.7	100.8	162.2	52.8	0	0	0	0	109.2
187	G	43.7	Very low	51	Low	55 Å²	55	139.2 Å²	139.2	57%	0.567	74%	0.737	S	S	*	*			trans	-164.6	92	174	0	0	0	0	0	109.5	N185 Y189	N185-G187 PolarHBondContact O-N 2.87Å; G187-Y189 PolarHBondContact O-N 3.18Å
188	I	54.6	Low	52.5	Low	144 Å²	144	140.1 Å²	140.1	74%	0.738	74%	0.74	S	S	*	*	S	Bend	trans	-63.4	129.5	176.8	-47.9	-174.1	0	0	0	107.2
189	Y	54.3	Low	54.1	Low	215 Å²	215	138.9 Å²	138.9	84%	0.843	74%	0.741	S	S	*	*	S	Bend	trans	86.8	70.3	174.6	-47.7	-74	0	0	0	118.8	G187	G187-Y189 PolarHBondContact O-N 3.18Å
190	T	57.8	Low	56	Low	130 Å²	130	142.6 Å²	142.6	80%	0.798	75%	0.752	S	S	*	*			trans	-153.7	47.3	145.8	47.9	0	0	0	0	111.6	S192	T190-S192 PolarHBondContact O-N 2.88Å
191	M	54.9	Low	57.9	Low	162 Å²	162	137.3 Å²	137.3	80%	0.798	73%	0.732	S	S	*	*			trans	-81.7	110.8	166.6	-72.9	-171.6	72.7	0	0	108.1
192	S	63.7	Low	59.5	Low	80 Å²	80	130.2 Å²	130.2	56%	0.559	71%	0.712	S	S	*	*			trans	-75.8	140.9	170.2	-70.2	0	0	0	0	108	T190 L194 D195	T190-S192 PolarHBondContact O-N 2.88Å; S192-L194 PolarHBondContact O-N 2.85Å; S192-D195 PolarHBondContact N-OD2 2.86Å; S192-D195 WeakPolarHBondContact O-CB 3.35Å; S192-D195 PolarHBondContact O-N 3.28Å
193	A	64.4	Low	61	Low	101 Å²	101	128.7 Å²	128.7	84%	0.835	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.7	3.9	-178.2	0	0	0	0	0	115.2
194	L	69.4	Low	62.2	Low	138 Å²	138	127.7 Å²	127.7	72%	0.723	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.5	-6.1	178.2	-57.4	179	0	0	0	112.5	S192 D196 V197	S192-L194 PolarHBondContact O-N 2.85Å; L194-D196 PolarHBondContact O-N 2.87Å; L194-V197 PolarHBondContact O-N 3.44Å
195	D	65.7	Low	63	Low	86 Å²	86	125.6 Å²	125.6	46%	0.46	69%	0.686	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.3	122.3	171.4	-68.4	-32.9	0	0	0	107.5	S192	S192-D195 PolarHBondContact N-OD2 2.86Å; S192-D195 WeakPolarHBondContact O-CB 3.35Å; S192-D195 PolarHBondContact O-N 3.28Å
196	D	66.1	Low	64.3	Low	131 Å²	131	125 Å²	125	70%	0.701	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	77.4	15.4	-177.3	-50.9	-44.9	0	0	0	117.8	L194 P198	L194-D196 PolarHBondContact O-N 2.87Å; D196-P198 WeakPolarHBondContact O-CD 3.17Å
197	V	70.6	Confident	65	Low	88 Å²	88	124.2 Å²	124.2	53%	0.533	67%	0.669	S	S	.	*			trans	-84.3	109	166.5	-177.3	0	0	0	0	109.9	L194 F199	L194-V197 PolarHBondContact O-N 3.44Å; V197-F199 PolarHBondContact O-N 2.85Å
198	P	72.1	Confident	65.8	Low	127 Å²	127	130.6 Å²	130.6	83%	0.825	68%	0.681	S	S	*	*			trans	-69.1	119.4	176	27.3	-32.4	0	0	0	109.6	D196	D196-P198 WeakPolarHBondContact O-CD 3.17Å
199	F	75	Confident	66	Low	182 Å²	182	128.4 Å²	128.4	80%	0.798	68%	0.676	S	S	*	*			trans	-103.3	147.7	167.5	71.2	-86.3	0	0	0	109.8	V197 V201	V197-F199 PolarHBondContact O-N 2.85Å; F199-V201 HydrophobicContact CD2-CG2 4.35Å; F199-V201 HydrophobicContact CE2-CG2 4.2Å
200	M	75.6	Confident	66.4	Low	178 Å²	178	128 Å²	128	88%	0.877	68%	0.682	S	S	*	*			trans	-127	122.6	176.1	-176.2	172.5	58.9	0	0	108.2	S202	M200-S202 PolarHBondContact O-N 2.98Å
201	V	70.3	Confident	66.1	Low	71 Å²	71	129.9 Å²	129.9	43%	0.43	68%	0.681	S	S	.	*			trans	-73.4	126.4	174.6	179.1	0	0	0	0	108.1	F199 E203 F205	F199-V201 HydrophobicContact CD2-CG2 4.35Å; F199-V201 HydrophobicContact CE2-CG2 4.2Å; V201-E203 PolarHBondContact O-N 2.99Å; V201-F205 HydrophobicContact CG1-CB 3.73Å; V201-F205 HydrophobicContact CG1-CD2 4.13Å; V201-F205 HydrophobicContact CG1-CG 4.37Å
202	S	70.5	Confident	66.3	Low	58 Å²	58	130 Å²	130	41%	0.406	68%	0.682	S	S	.	*			trans	-55.2	138.1	178.3	179.5	0	0	0	0	111.2	M200 K204 F205	M200-S202 PolarHBondContact O-N 2.98Å; S202-K204 PolarHBondContact O-N 2.91Å; S202-K204 WeakPolarHBondContact OG-CG 3.36Å; S202-F205 PolarHBondContact O-N 3.28Å
203	E	72.8	Confident	66.1	Low	143 Å²	143	134.7 Å²	134.7	67%	0.668	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-49.8	-27.8	179	-72.6	-64.3	160.5	0	0	114.2	V201 F205 H206	V201-E203 PolarHBondContact O-N 2.99Å; E203-F205 PolarHBondContact O-N 3.29Å; E203-F205 VanDerWaalsContact O-N 3.09Å; E203-H206 WeakPolarHBondContact O-CB 3.04Å; E203-H206 PolarHBondContact O-N 3.44Å; E203-H206 IonicContact OE2-CG 3.83Å; E203-H206 IonicContact OE2-ND1 3.92Å
204	K	68	Low	65.6	Low	152 Å²	152	138.8 Å²	138.8	66%	0.661	70%	0.697	S	S	*	*	G	3₁₀ helix	trans	-62.4	-16.7	175.5	70.4	-168.6	175.9	178.1	0	114.3	S202	S202-K204 PolarHBondContact O-N 2.91Å; S202-K204 WeakPolarHBondContact OG-CG 3.36Å
205	F	63.5	Low	65.1	Low	137 Å²	137	137.2 Å²	137.2	60%	0.601	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-105.4	2	177	-54	-71.1	0	0	0	113.4	V201 S202 E203 V207	V201-F205 HydrophobicContact CG1-CB 3.73Å; V201-F205 HydrophobicContact CG1-CD2 4.13Å; V201-F205 HydrophobicContact CG1-CG 4.37Å; S202-F205 PolarHBondContact O-N 3.28Å; E203-F205 PolarHBondContact O-N 3.29Å; E203-F205 VanDerWaalsContact O-N 3.09Å; F205-V207 PolarHBondContact O-N 2.83Å
206	H	65.4	Low	64.8	Low	121 Å²	121	137.1 Å²	137.1	56%	0.56	70%	0.699	S	S	*	*			trans	-76.3	-11.1	173.4	-87.4	74.7	0	0	0	113	E203 K208	E203-H206 WeakPolarHBondContact O-CB 3.04Å; E203-H206 PolarHBondContact O-N 3.44Å; E203-H206 IonicContact OE2-CG 3.83Å; E203-H206 IonicContact OE2-ND1 3.92Å; H206-K208 PolarHBondContact O-N 3.28Å
207	V	67.5	Low	64.8	Low	109 Å²	109	136.4 Å²	136.4	66%	0.661	69%	0.694	S	S	*	*	S	Bend	trans	-73.4	112.9	173.3	-176.3	0	0	0	0	108.4	F205 P209	F205-V207 PolarHBondContact O-N 2.83Å; V207-P209 WeakPolarHBondContact O-CD 3.3Å; V207-P209 VanDerWaalsContact O-N 3.09Å
208	K	60.5	Low	64.5	Low	190 Å²	190	140.5 Å²	140.5	83%	0.826	71%	0.71	S	S	*	*			trans	-58.6	113.1	167.1	-71.3	-175.3	178.6	-175.7	0	107.6	H206 Q210	H206-K208 PolarHBondContact O-N 3.28Å; K208-Q210 PolarHBondContact O-N 2.95Å
209	P	59.1	Low	64.2	Low	97 Å²	97	138 Å²	138	63%	0.63	71%	0.707	S	S	*	*			trans	-61.7	125.6	176.9	24.7	-31	0	0	0	107.9	V207 Q211	V207-P209 WeakPolarHBondContact O-CD 3.3Å; V207-P209 VanDerWaalsContact O-N 3.09Å; P209-Q211 PolarHBondContact O-N 3.14Å; P209-Q211 VanDerWaalsContact O-N 3.13Å
210	Q	61.1	Low	64.1	Low	207 Å²	207	134.7 Å²	134.7	97%	0.967	70%	0.696	S	S	*	*	S	Bend	trans	-63.6	-16.2	177.6	-69.6	-179.3	-6.4	0	0	111.9	K208	K208-Q210 PolarHBondContact O-N 2.95Å
211	Q	52.4	Low	64.2	Low	169 Å²	169	131.4 Å²	131.4	79%	0.79	69%	0.687	S	S	*	*	S	Bend	trans	-153.4	128.9	177.5	-162.3	167.7	26.5	0	0	108.9	P209 Q213	P209-Q211 PolarHBondContact O-N 3.14Å; P209-Q211 VanDerWaalsContact O-N 3.13Å; Q211-Q213 PolarHBondContact O-N 2.79Å
212	M	57.8	Low	64.7	Low	166 Å²	166	135.6 Å²	135.6	82%	0.818	71%	0.705	S	S	*	*			trans	-65.4	128.2	165.2	-86.1	-177.2	-77.4	0	0	107.9	Q214	M212-Q214 PolarHBondContact O-N 3.22Å
213	Q	60.1	Low	65.2	Low	178 Å²	178	136.8 Å²	136.8	83%	0.832	70%	0.703	S	S	*	*			trans	-61.2	113.8	172.5	-173.4	173.7	-21.3	0	0	107.9	Q211 V215	Q211-Q213 PolarHBondContact O-N 2.79Å; Q213-V215 PolarHBondContact O-N 3.28Å
214	Q	54.2	Low	65.7	Low	187 Å²	187	132.9 Å²	132.9	87%	0.874	69%	0.691	S	S	*	*			trans	-68.9	96.7	175.7	-172.7	175.3	-5.9	0	0	107.6	M212 S216	M212-Q214 PolarHBondContact O-N 3.22Å; Q214-S216 PolarHBondContact O-N 2.98Å
215	V	59.7	Low	66.4	Low	105 Å²	105	130.9 Å²	130.9	64%	0.636	69%	0.687	S	S	*	*			trans	-71.5	115.2	172	-177.3	0	0	0	0	106.8	Q213 L217	Q213-V215 PolarHBondContact O-N 3.28Å; V215-L217 PolarHBondContact O-N 2.81Å; V215-L217 VanDerWaalsContact O-N 3.08Å
216	S	59	Low	67.3	Low	84 Å²	84	127.3 Å²	127.3	59%	0.587	68%	0.683	S	S	*	*			trans	-66.3	106.3	171.1	-178.8	0	0	0	0	108.4	Q214 M218	Q214-S216 PolarHBondContact O-N 2.98Å; S216-M218 PolarHBondContact O-N 2.91Å; S216-M218 WeakPolarHBondContact OG-CB 3.43Å; S216-M218 WeakPolarHBondContact OG-CG 3.45Å
217	L	65.4	Low	68.3	Low	115 Å²	115	126.1 Å²	126.1	60%	0.602	68%	0.677	S	S	*	*	G	3₁₀ helix	trans	-72.5	13.1	173.1	-55.4	171	0	0	0	112	V215 G219 I220	V215-L217 PolarHBondContact O-N 2.81Å; V215-L217 VanDerWaalsContact O-N 3.08Å; L217-G219 PolarHBondContact O-N 2.9Å; L217-I220 HydrophobicContact CB-CD1 4.27Å; L217-I220 HydrophobicContact CB-CG1 4.36Å; L217-I220 HydrophobicContact CD2-CD1 3.44Å; L217-I220 VanDerWaalsContact CD2-CD1 3.44Å; L217-I220 HydrophobicContact CD2-CG1 4.31Å; L217-I220 HydrophobicContact CG-CD1 4.37Å; L217-I220 PolarHBondContact O-N 3.32Å
218	M	64.6	Low	69	Low	175 Å²	175	124 Å²	124	86%	0.862	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-61.5	-12.1	179.1	-67.2	-69.1	154.6	0	0	113.2	S216	S216-M218 PolarHBondContact O-N 2.91Å; S216-M218 WeakPolarHBondContact OG-CB 3.43Å; S216-M218 WeakPolarHBondContact OG-CG 3.45Å
219	G	65.3	Low	70.2	Confident	73 Å²	73	119 Å²	119	75%	0.753	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-94.4	0.1	170.7	0	0	0	0	0	115.1	L217	L217-G219 PolarHBondContact O-N 2.9Å
220	I	74.3	Confident	71.4	Confident	114 Å²	114	121.6 Å²	121.6	59%	0.585	65%	0.645	S	S	*	*			trans	-100.2	107.8	177.2	-53.1	-172.6	0	0	0	108.8	L217	L217-I220 HydrophobicContact CB-CD1 4.27Å; L217-I220 HydrophobicContact CB-CG1 4.36Å; L217-I220 HydrophobicContact CD2-CD1 3.44Å; L217-I220 VanDerWaalsContact CD2-CD1 3.44Å; L217-I220 HydrophobicContact CD2-CG1 4.31Å; L217-I220 HydrophobicContact CG-CD1 4.37Å; L217-I220 PolarHBondContact O-N 3.32Å
221	T	77.9	Confident	72.6	Confident	109 Å²	109	116.2 Å²	116.2	67%	0.669	62%	0.62	S	S	*	*			trans	-96.7	120	170.3	-51.1	0	0	0	0	108.5	K223	T221-K223 PolarHBondContact O-N 2.83Å
222	I	80.6	Confident	74.1	Confident	159 Å²	159	114.4 Å²	114.4	82%	0.815	61%	0.61	S	S	*	*			trans	-74.9	111.1	170.8	-57.5	176.5	0	0	0	106.9
223	K	80.4	Confident	75.1	Confident	83 Å²	83	114 Å²	114	36%	0.361	61%	0.605	S	S	.	*			trans	-86	142.4	176.3	-67.7	-178.4	180	178.7	0	110.4	T221 E227 I228 E231	T221-K223 PolarHBondContact O-N 2.83Å; K223-E227 VanDerWaalsContact CA-OE2 3.26Å; K223-E227 WeakPolarHBondContact CA-OE2 3.44Å; K223-E227 HydrophobicContact CB-CB 3.99Å; K223-E227 HydrophobicContact CG-CB 4.39Å; K223-I228 HydrophobicContact CB-CD1 4.42Å; K223-I228 HydrophobicContact CB-CG1 3.87Å; K223-E231 VanDerWaalsContact CD-OE2 3.32Å; K223-E231 WeakPolarHBondContact CD-OE2 3.36Å; K223-E231 WeakPolarHBondContact CE-OE2 3.27Å; K223-E231 IonicContact NZ-OE1 3.32Å; K223-E231 PolarHBondContact NZ-OE1 3.38Å; K223-E231 IonicContact NZ-OE2 2.83Å; K223-E231 PolarHBondContact NZ-OE2 3.31Å
224	S	83.8	Confident	75.6	Confident	60 Å²	60	109.8 Å²	109.8	42%	0.42	58%	0.582	S	S	.	*			trans	-69.2	163.3	168.6	68	0	0	0	0	111	A226 E227 I228	S224-A226 VanDerWaalsContact C-N 3.26Å; S224-A226 PolarHBondContact O-N 3.25Å; S224-E227 PolarHBondContact N-OE2 3.02Å; S224-E227 PolarHBondContact O-N 3.42Å; S224-E227 WeakPolarHBondContact OG-CG 3.44Å; S224-E227 PolarHBondContact OG-N 2.76Å; S224-E227 PolarHBondContact OG-OE2 3.49Å; S224-E227 VanDerWaalsContact OG-OE2 3.11Å; S224-I228 WeakPolarHBondContact O-CG1 3.39Å; S224-I228 PolarHBondContact O-N 2.79Å; S224-I228 VanDerWaalsContact O-N 3.08Å
225	L	81.3	Confident	76.3	Confident	111 Å²	111	104.8 Å²	104.8	58%	0.581	56%	0.562	S	S	*	*	H	α-helix	trans	-54.9	-43.1	176.7	179.6	64	0	0	0	111.9	E227 I228 E229	L225-E227 PolarHBondContact O-N 3.14Å; L225-I228 WeakPolarHBondContact O-CB 3.45Å; L225-I228 PolarHBondContact O-N 2.61Å; L225-E229 HydrophobicContact CD1-CG 4.44Å; L225-E229 HydrophobicContact CG-CG 4.49Å; L225-E229 WeakPolarHBondContact O-CG 3.37Å; L225-E229 PolarHBondContact O-N 3.21Å
226	A	84.3	Confident	76.4	Confident	62 Å²	62	106.5 Å²	106.5	51%	0.512	56%	0.561	S	S	.	*	H	α-helix	trans	-64.8	-40	180	0	0	0	0	0	112.7	S224 I228 E229 E230	S224-A226 VanDerWaalsContact C-N 3.26Å; S224-A226 PolarHBondContact O-N 3.25Å; A226-I228 VanDerWaalsContact C-N 3.3Å; A226-I228 PolarHBondContact O-N 3.3Å; A226-E229 PolarHBondContact O-N 3.21Å; A226-E230 WeakPolarHBondContact O-CB 3.4Å; A226-E230 PolarHBondContact O-N 2.87Å
227	E	85.4	Confident	76.6	Confident	95 Å²	95	104.6 Å²	104.6	44%	0.444	56%	0.555	S	S	.	*	H	α-helix	trans	-65.5	-35.2	176	-72.6	167.7	150	0	0	111.6	K223 S224 L225 E231	K223-E227 VanDerWaalsContact CA-OE2 3.26Å; K223-E227 WeakPolarHBondContact CA-OE2 3.44Å; K223-E227 HydrophobicContact CB-CB 3.99Å; K223-E227 HydrophobicContact CG-CB 4.39Å; S224-E227 PolarHBondContact N-OE2 3.02Å; S224-E227 PolarHBondContact O-N 3.42Å; S224-E227 WeakPolarHBondContact OG-CG 3.44Å; S224-E227 PolarHBondContact OG-N 2.76Å; S224-E227 PolarHBondContact OG-OE2 3.49Å; S224-E227 VanDerWaalsContact OG-OE2 3.11Å; L225-E227 PolarHBondContact O-N 3.14Å; E227-E231 VanDerWaalsContact O-CB 3.31Å; E227-E231 WeakPolarHBondContact O-CB 3.46Å; E227-E231 PolarHBondContact O-N 3.49Å; E227-E231 VanDerWaalsContact O-N 3.09Å
228	I	83.1	Confident	76.3	Confident	64 Å²	64	102.1 Å²	102.1	33%	0.328	54%	0.544	S	S	.	.	H	α-helix	trans	-68.8	-44.9	175.1	-65.3	166.2	0	0	0	110.5	K223 S224 L225 A226 F232	K223-I228 HydrophobicContact CB-CD1 4.42Å; K223-I228 HydrophobicContact CB-CG1 3.87Å; S224-I228 WeakPolarHBondContact O-CG1 3.39Å; S224-I228 PolarHBondContact O-N 2.79Å; S224-I228 VanDerWaalsContact O-N 3.08Å; L225-I228 WeakPolarHBondContact O-CB 3.45Å; L225-I228 PolarHBondContact O-N 2.61Å; A226-I228 VanDerWaalsContact C-N 3.3Å; A226-I228 PolarHBondContact O-N 3.3Å; I228-F232 HydrophobicContact CG2-CD2 4.17Å; I228-F232 WeakPolarHBondContact O-CB 3.24Å; I228-F232 PolarHBondContact O-N 3.23Å
229	E	84	Confident	76.1	Confident	85 Å²	85	98.9 Å²	98.9	40%	0.397	53%	0.527	S	S	.	.	H	α-helix	trans	-61.5	-41.4	177.7	-74.2	175.3	171.1	0	0	111.8	L225 A226 H233 Y234	L225-E229 HydrophobicContact CD1-CG 4.44Å; L225-E229 HydrophobicContact CG-CG 4.49Å; L225-E229 WeakPolarHBondContact O-CG 3.37Å; L225-E229 PolarHBondContact O-N 3.21Å; A226-E229 PolarHBondContact O-N 3.21Å; E229-H233 WeakPolarHBondContact O-CA 3.37Å; E229-H233 PolarHBondContact O-N 2.86Å; E229-Y234 WeakPolarHBondContact CG-O 3.04Å
230	E	85.9	Confident	75.8	Confident	152 Å²	152	101.9 Å²	101.9	71%	0.71	53%	0.525	S	S	*	.	H	α-helix	trans	-68.4	-45.9	178.1	-176.2	178.4	-173.5	0	0	112.4	A226 H233	A226-E230 WeakPolarHBondContact O-CB 3.4Å; A226-E230 PolarHBondContact O-N 2.87Å; E230-H233 PolarHBondContact O-CE1 2.96Å; E230-H233 VanDerWaalsContact O-CE1 3.27Å; E230-H233 PolarHBondContact O-ND1 2.62Å
231	E	85.1	Confident	75.1	Confident	95 Å²	95	100.8 Å²	100.8	44%	0.444	53%	0.528	S	S	.	.	H	α-helix	trans	-72.8	-46.1	-175.7	-178	178.7	-159.5	0	0	112.3	K223 E227	K223-E231 VanDerWaalsContact CD-OE2 3.32Å; K223-E231 WeakPolarHBondContact CD-OE2 3.36Å; K223-E231 WeakPolarHBondContact CE-OE2 3.27Å; K223-E231 IonicContact NZ-OE1 3.32Å; K223-E231 PolarHBondContact NZ-OE1 3.38Å; K223-E231 IonicContact NZ-OE2 2.83Å; K223-E231 PolarHBondContact NZ-OE2 3.31Å; E227-E231 VanDerWaalsContact O-CB 3.31Å; E227-E231 WeakPolarHBondContact O-CB 3.46Å; E227-E231 PolarHBondContact O-N 3.49Å; E227-E231 VanDerWaalsContact O-N 3.09Å
232	F	84.5	Confident	74.3	Confident	130 Å²	130	102.4 Å²	102.4	57%	0.57	53%	0.531	S	S	*	.	H	α-helix	trans	-99.6	-2.8	-172.7	-62.3	-75.4	0	0	0	113.2	I228 Y234	I228-F232 HydrophobicContact CG2-CD2 4.17Å; I228-F232 WeakPolarHBondContact O-CB 3.24Å; I228-F232 PolarHBondContact O-N 3.23Å; F232-Y234 PolarHBondContact O-N 2.87Å
233	H	77.8	Confident	72.9	Confident	158 Å²	158	100.1 Å²	100.1	73%	0.731	52%	0.524	S	S	*	.			trans	50.4	30.4	-174.7	-64	68.6	0	0	0	111.9	E229 E230	E229-H233 WeakPolarHBondContact O-CA 3.37Å; E229-H233 PolarHBondContact O-N 2.86Å; E230-H233 PolarHBondContact O-CE1 2.96Å; E230-H233 VanDerWaalsContact O-CE1 3.27Å; E230-H233 PolarHBondContact O-ND1 2.62Å
234	Y	71.4	Confident	71.7	Confident	89 Å²	89	105.4 Å²	105.4	35%	0.349	57%	0.567	S	S	.	*			trans	-101.1	116.1	-171.4	180	-91.9	0	0	0	108.6	E229 F232 E239	E229-Y234 WeakPolarHBondContact CG-O 3.04Å; F232-Y234 PolarHBondContact O-N 2.87Å; Y234-E239 HydrophobicContact CE2-CG 4.29Å; Y234-E239 VanDerWaalsContact OH-CG 3.3Å; Y234-E239 WeakPolarHBondContact OH-CG 3.19Å; Y234-E239 PolarHBondContact OH-OE1 3.21Å
235	N	68.1	Low	71.1	Confident	83 Å²	83	107.7 Å²	107.7	44%	0.444	57%	0.574	S	S	.	*			trans	-119.7	152.9	167.2	70.2	36.6	0	0	0	109.6	G237 T238	N235-G237 PolarHBondContact O-N 3.29Å; N235-G237 VanDerWaalsContact OD1-C 3.29Å; N235-G237 WeakPolarHBondContact OD1-CA 3.47Å; N235-G237 PolarHBondContact OD1-N 2.75Å; N235-T238 PolarHBondContact N-OG1 3.4Å; N235-T238 WeakPolarHBondContact O-CB 3.15Å; N235-T238 PolarHBondContact O-N 2.86Å; N235-T238 PolarHBondContact O-OG1 2.98Å; N235-T238 PolarHBondContact OD1-N 3.01Å; N235-T238 PolarHBondContact OD1-OG1 2.77Å; N235-T238 VanDerWaalsContact OD1-OG1 3.05Å
236	F	62.6	Low	70.6	Confident	140 Å²	140	107.5 Å²	107.5	61%	0.614	57%	0.574	S	S	*	*	H	α-helix	trans	-61.7	-13.3	175.2	-78.5	-81.4	0	0	0	113.2	E239	F236-E239 VanDerWaalsContact CD1-OE2 3.3Å; F236-E239 WeakPolarHBondContact CD1-OE2 3.34Å
237	G	63.3	Low	69.8	Low	44 Å²	44	110.1 Å²	110.1	45%	0.454	58%	0.577	S	S	.	*	H	α-helix	trans	-69.4	-29.6	170.6	0	0	0	0	0	113.5	N235 E239 L240	N235-G237 PolarHBondContact O-N 3.29Å; N235-G237 VanDerWaalsContact OD1-C 3.29Å; N235-G237 WeakPolarHBondContact OD1-CA 3.47Å; N235-G237 PolarHBondContact OD1-N 2.75Å; G237-E239 VanDerWaalsContact C-N 3.3Å; G237-E239 PolarHBondContact O-N 3.04Å; G237-L240 PolarHBondContact O-N 3.05Å
238	T	59.4	Low	68.9	Low	63 Å²	63	110.9 Å²	110.9	39%	0.387	59%	0.585	S	S	.	*	H	α-helix	trans	-66.6	-31.3	176.6	0.4	0	0	0	0	111.9	N235 L240 S241	N235-T238 PolarHBondContact N-OG1 3.4Å; N235-T238 WeakPolarHBondContact O-CB 3.15Å; N235-T238 PolarHBondContact O-N 2.86Å; N235-T238 PolarHBondContact O-OG1 2.98Å; N235-T238 PolarHBondContact OD1-N 3.01Å; N235-T238 PolarHBondContact OD1-OG1 2.77Å; N235-T238 VanDerWaalsContact OD1-OG1 3.05Å; T238-L240 VanDerWaalsContact C-N 3.32Å; T238-L240 PolarHBondContact O-N 3.1Å; T238-S241 PolarHBondContact O-N 2.98Å; T238-S241 PolarHBondContact O-OG 3.15Å
239	E	60.8	Low	68	Low	107 Å²	107	113.9 Å²	113.9	50%	0.5	60%	0.601	S	S	.	*	H	α-helix	trans	-68.8	-29.1	175.7	-66.2	-169.8	133.4	0	0	112.9	Y234 F236 G237 S241	Y234-E239 HydrophobicContact CE2-CG 4.29Å; Y234-E239 VanDerWaalsContact OH-CG 3.3Å; Y234-E239 WeakPolarHBondContact OH-CG 3.19Å; Y234-E239 PolarHBondContact OH-OE1 3.21Å; F236-E239 VanDerWaalsContact CD1-OE2 3.3Å; F236-E239 WeakPolarHBondContact CD1-OE2 3.34Å; G237-E239 VanDerWaalsContact C-N 3.3Å; G237-E239 PolarHBondContact O-N 3.04Å; E239-S241 VanDerWaalsContact C-N 3.3Å
240	L	58.4	Low	67	Low	137 Å²	137	115.8 Å²	115.8	72%	0.717	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	-9.8	177.9	-69.1	169.1	0	0	0	113.4	G237 T238 I242	G237-L240 PolarHBondContact O-N 3.05Å; T238-L240 VanDerWaalsContact C-N 3.32Å; T238-L240 PolarHBondContact O-N 3.1Å; L240-I242 VanDerWaalsContact C-N 3.31Å
241	S	59.2	Low	65.6	Low	91 Å²	91	113.2 Å²	113.2	64%	0.636	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	-0.7	177.9	68.5	0	0	0	0	114	T238 E239	T238-S241 PolarHBondContact O-N 2.98Å; T238-S241 PolarHBondContact O-OG 3.15Å; E239-S241 VanDerWaalsContact C-N 3.3Å
242	I	60.2	Low	64.1	Low	142 Å²	142	114.6 Å²	114.6	73%	0.728	62%	0.621	S	S	*	*			trans	-110.2	57.6	171.8	-40.7	177.2	0	0	0	108.8	L240	L240-I242 VanDerWaalsContact C-N 3.31Å
243	V	52.8	Low	62.4	Low	112 Å²	112	113.3 Å²	113.3	68%	0.679	63%	0.625	S	S	*	*			trans	-118.5	113.6	160.7	-175.3	0	0	0	0	105.8
244	P	55.1	Low	61	Low	194 Å²	194	109.3 Å²	109.3	100%	1.26	62%	0.615	S	S	*	*			trans	-64.5	0	176	3.1	5	0	0	0	112.8

Retrieved 244 of 244 residues in 514.1 ms (Link to these results)

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