A0A093IBN6_STRCA Loading...

Apolipoprotein D

AlphaFold DB , UniProt , Accession A0A093IBN6, Species STRCA (Struthio camelus australis), Gene n/a, Length 189 aa.

Structure Viewer

Loading PAE data...

(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	39.3	Very low	44.6	Very low	250 Å²	250	148.9 Å²	148.9	100%	1.232	81%	0.808	S	S	*	*				0	121.7	0	-77.2	177.1	179.3	0	0	108
2	L	40.1	Very low	44.9	Very low	154 Å²	154	152.3 Å²	152.3	81%	0.806	82%	0.824	S	S	*	*			trans	-68.1	137.4	-172.5	-159.1	78.5	0	0	0	110.7
3	R	43.6	Very low	44.5	Very low	247 Å²	247	144.1 Å²	144.1	93%	0.932	80%	0.796	S	S	*	*			trans	-174.2	81.7	144.8	-99	157.8	-162.1	-138.4	4.9	109.9	A5	R3-A5 PolarHBondContact O-N 3.15Å
4	T	43.4	Very low	44.6	Very low	120 Å²	120	146.1 Å²	146.1	74%	0.736	80%	0.804	S	S	*	*			trans	-56	108.3	155.2	18.8	0	0	0	0	108.8	V6	T4-V6 VanDerWaalsContact C-N 3.31Å; T4-V6 PolarHBondContact O-N 3.37Å; T4-V6 VanDerWaalsContact O-N 3.16Å
5	A	48.3	Very low	44.7	Very low	94 Å²	94	144.3 Å²	144.3	78%	0.777	80%	0.799	S	S	*	*			trans	-80.4	84.7	164.9	0	0	0	0	0	107.8	R3 L7	R3-A5 PolarHBondContact O-N 3.15Å; A5-L7 PolarHBondContact O-N 3.02Å
6	V	45.6	Very low	44.5	Very low	111 Å²	111	139.4 Å²	139.4	67%	0.673	79%	0.791	S	S	*	*			trans	-74.8	102.6	166	-179.8	0	0	0	0	106	T4 L8	T4-V6 VanDerWaalsContact C-N 3.31Å; T4-V6 PolarHBondContact O-N 3.37Å; T4-V6 VanDerWaalsContact O-N 3.16Å; V6-L8 PolarHBondContact O-N 3.17Å
7	L	43.7	Very low	44.7	Very low	153 Å²	153	140.7 Å²	140.7	80%	0.801	79%	0.786	S	S	*	*			trans	-56.8	111.1	164.9	-97	108.5	0	0	0	107.8	A5 S9	A5-L7 PolarHBondContact O-N 3.02Å; L7-S9 PolarHBondContact O-N 3.35Å
8	L	42	Very low	44.9	Very low	148 Å²	148	136.3 Å²	136.3	78%	0.775	78%	0.777	S	S	*	*			trans	-69.5	77.6	166.5	-115.3	92	0	0	0	108.4	V6 V10	V6-L8 PolarHBondContact O-N 3.17Å; L8-V10 HydrophobicContact CB-CG2 4.33Å; L8-V10 HydrophobicContact CD2-CG2 3.62Å; L8-V10 HydrophobicContact CG-CG2 3.88Å; L8-V10 PolarHBondContact O-N 2.99Å; L8-V10 VanDerWaalsContact O-N 3.07Å
9	S	49.7	Very low	45.5	Very low	107 Å²	107	139.9 Å²	139.9	75%	0.748	78%	0.783	S	S	*	*			trans	-77.8	70.8	158.8	32.5	0	0	0	0	108.3	L7 L11	L7-S9 PolarHBondContact O-N 3.35Å; S9-L11 PolarHBondContact O-N 3.44Å; S9-L11 VanDerWaalsContact O-N 3.14Å
10	V	48.4	Very low	46.2	Very low	101 Å²	101	133.8 Å²	133.8	61%	0.612	75%	0.753	S	S	*	*			trans	-77.6	98.5	171.1	175.9	0	0	0	0	108.1	L8 L12	L8-V10 HydrophobicContact CB-CG2 4.33Å; L8-V10 HydrophobicContact CD2-CG2 3.62Å; L8-V10 HydrophobicContact CG-CG2 3.88Å; L8-V10 PolarHBondContact O-N 2.99Å; L8-V10 VanDerWaalsContact O-N 3.07Å; V10-L12 PolarHBondContact O-N 3.18Å
11	L	46.8	Very low	47.2	Very low	153 Å²	153	130 Å²	130	80%	0.801	73%	0.729	S	S	*	*			trans	20.6	83.8	145.6	-79	113.8	0	0	0	116.1	S9 G13	S9-L11 PolarHBondContact O-N 3.44Å; S9-L11 VanDerWaalsContact O-N 3.14Å; L11-G13 PolarHBondContact O-N 3.3Å
12	L	47.8	Very low	48.9	Very low	190 Å²	190	118.1 Å²	118.1	100%	0.995	67%	0.671	S	S	*	*			trans	-71.9	70.2	140.3	-97.8	88.8	0	0	0	107.5	V10	V10-L12 PolarHBondContact O-N 3.18Å
13	G	40.3	Very low	51	Low	45 Å²	45	116.7 Å²	116.7	46%	0.464	66%	0.659	S	S	.	*			trans	-114.9	95.9	-178.1	0	0	0	0	0	110.3	L11	L11-G13 PolarHBondContact O-N 3.3Å
14	L	44.9	Very low	53.1	Low	172 Å²	172	107 Å²	107	90%	0.901	62%	0.624	S	S	*	*			trans	59.8	66.9	153.4	-57.8	165.2	0	0	0	116.2	G16	L14-G16 PolarHBondContact O-N 2.78Å
15	V	47	Very low	55.3	Low	120 Å²	120	109.1 Å²	109.1	73%	0.727	63%	0.627	S	S	*	*			trans	-78.9	73.5	144.1	-168.3	0	0	0	0	106.7	F17	V15-F17 VanDerWaalsContact C-N 3.3Å; V15-F17 HydrophobicContact CG1-CD2 3.95Å; V15-F17 HydrophobicContact CG1-CE2 3.8Å; V15-F17 HydrophobicContact CG1-CG 4.39Å; V15-F17 HydrophobicContact CG1-CZ 4.11Å; V15-F17 PolarHBondContact O-N 3.3Å
16	G	40.9	Very low	57.3	Low	65 Å²	65	105.8 Å²	105.8	67%	0.67	60%	0.602	S	S	*	*			trans	-62.6	103	157.7	0	0	0	0	0	105.8	L14 G18	L14-G16 PolarHBondContact O-N 2.78Å; G16-G18 PolarHBondContact O-N 3.07Å
17	F	48.6	Very low	59.6	Low	162 Å²	162	105.2 Å²	105.2	71%	0.711	60%	0.601	S	S	*	*			trans	-63.3	88	167.5	-80.7	-87.2	0	0	0	107	V15 K19	V15-F17 VanDerWaalsContact C-N 3.3Å; V15-F17 HydrophobicContact CG1-CD2 3.95Å; V15-F17 HydrophobicContact CG1-CE2 3.8Å; V15-F17 HydrophobicContact CG1-CG 4.39Å; V15-F17 HydrophobicContact CG1-CZ 4.11Å; V15-F17 PolarHBondContact O-N 3.3Å; F17-K19 PolarHBondContact O-N 3.38Å
18	G	48	Very low	62	Low	61 Å²	61	99.2 Å²	99.2	63%	0.629	57%	0.572	S	S	*	*			trans	-55.6	128.1	167.4	0	0	0	0	0	107.5	G16 G20	G16-G18 PolarHBondContact O-N 3.07Å; G18-G20 PolarHBondContact O-N 3.15Å
19	K	55.4	Low	64.6	Low	205 Å²	205	93.5 Å²	93.5	89%	0.891	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	18.3	-179.2	-65.7	-174.8	171.5	-173.6	0	114.3	F17	F17-K19 PolarHBondContact O-N 3.38Å
20	G	59.4	Low	66.8	Low	18 Å²	18	93.9 Å²	93.9	19%	0.186	54%	0.537	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-25.4	-165.1	0	0	0	0	0	115.9	G18 S54 N55	G18-G20 PolarHBondContact O-N 3.15Å; G20-S54 CarbonylContact O-C 3.59Å; G20-N55 WeakPolarHBondContact CA-OD1 3.43Å; G20-N55 PolarHBondContact O-OD1 2.94Å
21	Q	68.4	Low	69.1	Low	53 Å²	53	89.2 Å²	89.2	25%	0.248	51%	0.509	C	S	.	.			trans	-161.3	139.6	-172.8	-166	169.3	17.9	0	0	111.9	F23 N55 V143 Y145	Q21-F23 HydrophobicContact CB-CE2 4.03Å; Q21-F23 HydrophobicContact CG-CE2 4.17Å; Q21-F23 HydrophobicContact CG-CZ 4.49Å; Q21-F23 PolarHBondContact O-N 3.11Å; Q21-N55 PolarHBondContact OE1-ND2 2.97Å; Q21-V143 HydrophobicContact CG-CG1 3.75Å; Q21-V143 HydrophobicContact CG-CG2 4.26Å; Q21-Y145 PolarHBondContact NE2-OH 2.95Å
22	T	74.3	Confident	71.5	Confident	2 Å²	2	85.4 Å²	85.4	1%	0.012	49%	0.493	C	S	.	.			trans	-89.9	104.7	179.5	46.2	0	0	0	0	110.9	H24 N144 K176	T22-H24 WeakPolarHBondContact CB-NE2 3.41Å; T22-H24 PolarHBondContact O-CD2 2.76Å; T22-N144 PolarHBondContact OG1-O 3.33Å; T22-N144 PolarHBondContact OG1-OD1 2.98Å; T22-K176 HydrophobicContact CG2-CB 4.2Å; T22-K176 HydrophobicContact CG2-CD 3.57Å
23	F	84.3	Confident	73.9	Confident	124 Å²	124	77.4 Å²	77.4	54%	0.544	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	131.6	171.2	-71	-89.2	0	0	0	109.9	Q21 I137 V143	Q21-F23 HydrophobicContact CB-CE2 4.03Å; Q21-F23 HydrophobicContact CG-CE2 4.17Å; Q21-F23 HydrophobicContact CG-CZ 4.49Å; Q21-F23 PolarHBondContact O-N 3.11Å; F23-I137 HydrophobicContact CE1-CD1 4.31Å; F23-V143 HydrophobicContact CD1-CG2 3.72Å; F23-V143 HydrophobicContact CE1-CG2 3.62Å; F23-V143 HydrophobicContact CG-CG2 4.38Å; F23-V143 HydrophobicContact CZ-CG2 4.22Å
24	H	88.5	Confident	76.6	Confident	42 Å²	42	77.2 Å²	77.2	19%	0.194	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	147.5	-178	-61.4	-77.2	0	0	0	110.7	T22 F141 H142 N144	T22-H24 WeakPolarHBondContact CB-NE2 3.41Å; T22-H24 PolarHBondContact O-CD2 2.76Å; H24-F141 CarbonylContact O-C 3.57Å; H24-F141 WeakPolarHBondContact O-CA 3.45Å; H24-F141 VanDerWaalsContact O-CB 3.28Å; H24-F141 WeakPolarHBondContact O-CB 3.44Å; H24-H142 WeakPolarHBondContact CB-CE1 3.21Å; H24-H142 VanDerWaalsContact CB-NE2 3.35Å; H24-H142 WeakPolarHBondContact CB-NE2 3.46Å; H24-H142 AromaticContact CD2-NE2 3.68Å; H24-H142 AromaticContact CG-NE2 3.74Å; H24-H142 PolarHBondContact N-O 2.91Å; H24-H142 PolarHBondContact O-N 2.87Å; H24-N144 PolarHBondContact CD2-OD1 3.19Å; H24-N144 PolarHBondContact NE2-ND2 3.46Å; H24-N144 PolarHBondContact NE2-OD1 2.89Å
25	M	89.4	Confident	79.1	Confident	165 Å²	165	76.2 Å²	76.2	81%	0.813	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.2	147	175.8	-67.3	-65.5	176.1	0	0	110.7
26	G	90.9	Very high	81.3	Confident	25 Å²	25	77.7 Å²	77.7	26%	0.258	43%	0.433	S	S	.	.	S	Bend	trans	83.2	-177.7	178.9	0	0	0	0	0	113.8	L140 H142	G26-L140 PolarHBondContact N-O 2.03Å; G26-H142 PolarHBondContact O-ND1 2.97Å
27	P	93.3	Very high	84	Confident	99 Å²	99	75.1 Å²	75.1	64%	0.643	40%	0.404	S	S	*	.	S	Bend	trans	-71.9	159.8	-177.7	31.7	-35.9	0	0	0	111.9	N136 H142	P27-N136 WeakPolarHBondContact CA-OD1 3.32Å; P27-H142 PolarHBondContact O-CE1 3.3Å; P27-H142 PolarHBondContact O-ND1 3.33Å
28	C	94.9	Very high	86.3	Confident	27 Å²	27	70.3 Å²	70.3	18%	0.182	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-51.9	132.5	168.2	-76	0	0	0	0	111.7	C134 T135 N136	C28-C134 WeakPolarHBondContact CA-SG 3.24Å; C28-C134 HydrophobicContact CB-CB 3.73Å; C28-C134 WeakPolarHBondContact CB-SG 3.31Å; C28-C134 WeakPolarHBondContact SG-CB 3.36Å; C28-C134 CovalentContact SG-SG 2.03Å; C28-C134 PolarHBondContact SG-SG 3.24Å; C28-T135 PolarHBondContact SG-N 2.67Å; C28-T135 VanDerWaalsContact SG-N 3.4Å; C28-N136 PolarHBondContact N-OD1 2.96Å; C28-N136 PolarHBondContact SG-OD1 2.74Å
29	P	95.1	Very high	88.6	Confident	27 Å²	27	68.7 Å²	68.7	18%	0.175	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-52.7	142.8	159.9	-26.2	33.2	0	0	0	111.4	P31 Y132 I172	P29-P31 VanDerWaalsContact O-CD 3.25Å; P29-P31 WeakPolarHBondContact O-CD 3.28Å; P29-Y132 WeakPolarHBondContact CD-OH 3.48Å; P29-I172 HydrophobicContact CB-CD1 4.49Å; P29-I172 HydrophobicContact CB-CG1 4.04Å; P29-I172 HydrophobicContact CG-CG1 4.06Å
30	D	95.6	Very high	90.5	Very high	115 Å²	115	61.8 Å²	61.8	62%	0.615	34%	0.343	S	S	*	.			trans	-116.2	73.4	175.6	-171.2	29.3	0	0	0	109.3	K104 W119	D30-K104 IonicContact OD1-NZ 3.24Å; D30-K104 PolarHBondContact OD1-NZ 2.99Å; D30-W119 VanDerWaalsContact OD1-CH2 3.29Å; D30-W119 WeakPolarHBondContact OD1-CH2 3.31Å; D30-W119 WeakPolarHBondContact OD1-CZ3 3.41Å
31	P	96.9	Very high	92.3	Very high	4 Å²	4	66.8 Å²	66.8	3%	0.026	36%	0.36	C	S	.	.			trans	-66.2	150.5	178.2	29.6	-37.3	0	0	0	111.1	P29 W119 I121 Y132 Y170 I172	P29-P31 VanDerWaalsContact O-CD 3.25Å; P29-P31 WeakPolarHBondContact O-CD 3.28Å; P31-W119 HydrophobicContact CG-CE3 4.42Å; P31-I121 HydrophobicContact CB-CD1 4.02Å; P31-I121 HydrophobicContact CG-CD1 3.46Å; P31-I121 VanDerWaalsContact CG-CD1 3.46Å; P31-Y132 HydrophobicContact CG-CD1 3.91Å; P31-Y132 HydrophobicContact CG-CE1 4.3Å; P31-Y170 HydrophobicContact CB-CD1 4.4Å; P31-Y170 HydrophobicContact CB-CD2 3.43Å; P31-Y170 VanDerWaalsContact CB-CD2 3.43Å; P31-Y170 HydrophobicContact CB-CE2 4.02Å; P31-Y170 HydrophobicContact CB-CG 3.65Å; P31-I172 HydrophobicContact CG-CD1 4.19Å
32	P	97.3	Very high	93.8	Very high	73 Å²	73	64.3 Å²	64.3	47%	0.474	35%	0.348	S	S	.	.			trans	-60.5	147.9	166.3	30.4	-35.6	0	0	0	109.8	Y170	P32-Y170 VanDerWaalsContact CD-CE1 3.49Å; P32-Y170 HydrophobicContact CG-CE1 3.69Å; P32-Y170 HydrophobicContact CG-CE2 4.23Å; P32-Y170 VanDerWaalsContact CG-CZ 3.49Å; P32-Y170 VanDerWaalsContact CG-OH 3.27Å; P32-Y170 WeakPolarHBondContact CG-OH 3.42Å
33	V	97.9	Very high	94.9	Very high	21 Å²	21	66.1 Å²	66.1	13%	0.127	36%	0.358	C	S	.	.			trans	-108.7	167.9	-179.4	-63.8	0	0	0	0	110.9	E35 A103 K104 W119 V120 I121	V33-E35 PolarHBondContact O-N 2.97Å; V33-E35 VanDerWaalsContact O-N 3.13Å; V33-A103 HydrophobicContact CB-CB 3.72Å; V33-A103 HydrophobicContact CG2-CB 3.77Å; V33-K104 HydrophobicContact CG1-CG 3.86Å; V33-K104 HydrophobicContact CG2-CG 4.21Å; V33-W119 HydrophobicContact CG1-CB 4.01Å; V33-W119 HydrophobicContact CG1-CE3 4.33Å; V33-W119 HydrophobicContact CG1-CG 4.44Å; V33-V120 WeakPolarHBondContact CB-O 3.43Å; V33-I121 CarbonylContact C-O 3.54Å; V33-I121 HydrophobicContact CG1-CD1 4.16Å
34	Q	98.1	Very high	95.6	Very high	42 Å²	42	61.4 Å²	61.4	20%	0.196	34%	0.344	C	S	.	.			trans	-52.3	119.4	-178.9	177.1	60.8	51.4	0	0	111.3	F37 A103 V120 I121 T123	Q34-F37 HydrophobicContact CB-CB 4.33Å; Q34-F37 HydrophobicContact CB-CD2 4.23Å; Q34-F37 HydrophobicContact CG-CB 4.16Å; Q34-F37 HydrophobicContact CG-CD2 4.03Å; Q34-A103 HydrophobicContact CB-CB 4.16Å; Q34-V120 HydrophobicContact CB-CG1 4.24Å; Q34-V120 WeakPolarHBondContact CB-O 3.47Å; Q34-V120 PolarHBondContact N-O 3.14Å; Q34-I121 PolarHBondContact N-O 3.35Å; Q34-I121 VanDerWaalsContact N-O 3.13Å; Q34-T123 HydrophobicContact CG-CG2 4.02Å; Q34-T123 PolarHBondContact OE1-O 2.97Å
35	E	96.1	Very high	96	Very high	151 Å²	151	62.7 Å²	62.7	71%	0.706	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	145.4	174.4	-65.5	-171.7	175	0	0	111	V33 F37	V33-E35 PolarHBondContact O-N 2.97Å; V33-E35 VanDerWaalsContact O-N 3.13Å; E35-F37 PolarHBondContact O-N 3.43Å
36	N	94.8	Very high	96.5	Very high	150 Å²	150	54.9 Å²	54.9	80%	0.802	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	38.6	178.1	-55.5	-58.1	0	0	0	113.1	D38	N36-D38 PolarHBondContact O-N 3.46Å
37	F	97.6	Very high	96.9	Very high	12 Å²	12	56.2 Å²	56.2	5%	0.053	31%	0.308	C	S	.	.			trans	-61.2	118.9	-175.5	178.5	-100.3	0	0	0	112.8	Q34 E35 I39 Y42 P102 A103 L105 V120 T123 Y125	Q34-F37 HydrophobicContact CB-CB 4.33Å; Q34-F37 HydrophobicContact CB-CD2 4.23Å; Q34-F37 HydrophobicContact CG-CB 4.16Å; Q34-F37 HydrophobicContact CG-CD2 4.03Å; E35-F37 PolarHBondContact O-N 3.43Å; F37-I39 HydrophobicContact CE1-CB 3.9Å; F37-I39 HydrophobicContact CE1-CD1 3.69Å; F37-I39 HydrophobicContact CE1-CG1 4.33Å; F37-I39 HydrophobicContact CZ-CD1 3.84Å; F37-Y42 AromaticContact CE2-CD2 3.65Å; F37-Y42 HydrophobicContact CE2-CD2 3.65Å; F37-Y42 HydrophobicContact CE2-CE2 4.24Å; F37-Y42 AromaticContact CE2-CG 3.84Å; F37-Y42 HydrophobicContact CE2-CG 3.84Å; F37-Y42 HydrophobicContact CZ-CD1 4.09Å; F37-Y42 AromaticContact CZ-CD2 3.97Å; F37-Y42 HydrophobicContact CZ-CD2 3.97Å; F37-Y42 AromaticContact CZ-CG 3.66Å; F37-Y42 HydrophobicContact CZ-CG 3.66Å; F37-P102 HydrophobicContact CB-CG 4.29Å; F37-P102 HydrophobicContact CD1-CB 4.41Å; F37-P102 WeakPolarHBondContact CD1-O 3.46Å; F37-A103 HydrophobicContact CB-CB 3.68Å; F37-A103 HydrophobicContact CD1-CB 4.24Å; F37-A103 HydrophobicContact CD2-CB 4.34Å; F37-A103 HydrophobicContact CG-CB 3.84Å; F37-L105 HydrophobicContact CE1-CD1 4.2Å; F37-L105 HydrophobicContact CZ-CD1 4.35Å; F37-V120 HydrophobicContact CD2-CB 4.29Å; F37-V120 HydrophobicContact CD2-CG1 4.19Å; F37-V120 HydrophobicContact CE2-CB 3.99Å; F37-V120 HydrophobicContact CE2-CG1 3.89Å; F37-V120 HydrophobicContact CE2-CG2 3.87Å; F37-V120 HydrophobicContact CZ-CG2 3.96Å; F37-T123 HydrophobicContact CD2-CG2 4.19Å; F37-T123 HydrophobicContact CE2-CG2 4.11Å; F37-Y125 WeakPolarHBondContact CA-OH 3.32Å; F37-Y125 HydrophobicContact CD2-CE1 4Å; F37-Y125 HydrophobicContact CE2-CE1 4.1Å
38	D	96.6	Very high	97.1	Very high	61 Å²	61	51.7 Å²	51.7	33%	0.326	28%	0.278	S	S	.	.			trans	-102.8	104.9	175.9	-174.2	-15.9	0	0	0	110.5	N36 A40 K41 Y42 Y125	N36-D38 PolarHBondContact O-N 3.46Å; D38-A40 PolarHBondContact O-N 3.48Å; D38-A40 VanDerWaalsContact OD1-CB 3.3Å; D38-A40 WeakPolarHBondContact OD1-CB 3.22Å; D38-A40 PolarHBondContact OD1-N 2.91Å; D38-K41 HydrophobicContact CB-CB 4.41Å; D38-K41 HydrophobicContact CB-CD 4.09Å; D38-K41 HydrophobicContact CB-CG 4.19Å; D38-K41 PolarHBondContact O-N 3.24Å; D38-K41 VanDerWaalsContact OD2-CE 3.32Å; D38-K41 WeakPolarHBondContact OD2-CE 3.39Å; D38-Y42 PolarHBondContact O-N 3.36Å; D38-Y125 PolarHBondContact N-OH 2.88Å; D38-Y125 WeakPolarHBondContact O-CE1 3.3Å
39	I	95.3	Very high	97.3	Very high	26 Å²	26	51.2 Å²	51.2	13%	0.133	27%	0.274	C	S	.	.	H	α-helix	trans	-64.5	-26.6	-179.1	-169.2	59.6	0	0	0	112.7	F37 Y42 L43 I74 L105	F37-I39 HydrophobicContact CE1-CB 3.9Å; F37-I39 HydrophobicContact CE1-CD1 3.69Å; F37-I39 HydrophobicContact CE1-CG1 4.33Å; F37-I39 HydrophobicContact CZ-CD1 3.84Å; I39-Y42 HydrophobicContact CD1-CD1 4.32Å; I39-Y42 WeakPolarHBondContact O-CB 3.02Å; I39-Y42 PolarHBondContact O-N 3.13Å; I39-L43 WeakPolarHBondContact O-CG 3.05Å; I39-L43 PolarHBondContact O-N 2.8Å; I39-I74 HydrophobicContact CB-CD1 4.46Å; I39-I74 HydrophobicContact CD1-CD1 3.86Å; I39-I74 HydrophobicContact CG1-CD1 3.2Å; I39-I74 HydrophobicContact CG2-CD1 4.46Å; I39-L105 HydrophobicContact CD1-CD1 4Å
40	A	95.9	Very high	97.4	Very high	60 Å²	60	51 Å²	51	50%	0.496	27%	0.271	S	S	.	.	H	α-helix	trans	-68.4	-37.7	179.7	0	0	0	0	0	111.2	D38 Y42	D38-A40 PolarHBondContact O-N 3.48Å; D38-A40 VanDerWaalsContact OD1-CB 3.3Å; D38-A40 WeakPolarHBondContact OD1-CB 3.22Å; D38-A40 PolarHBondContact OD1-N 2.91Å; A40-Y42 VanDerWaalsContact C-N 3.28Å; A40-Y42 PolarHBondContact O-N 2.92Å
41	K	98.1	Very high	97.6	Very high	124 Å²	124	46.4 Å²	46.4	54%	0.539	25%	0.245	S	C	.	.	H	α-helix	trans	-71.2	-24.7	173.5	-64.1	-178.8	-174.2	178.6	0	112.8	D38 L43 Y125 R151	D38-K41 HydrophobicContact CB-CB 4.41Å; D38-K41 HydrophobicContact CB-CD 4.09Å; D38-K41 HydrophobicContact CB-CG 4.19Å; D38-K41 PolarHBondContact O-N 3.24Å; D38-K41 VanDerWaalsContact OD2-CE 3.32Å; D38-K41 WeakPolarHBondContact OD2-CE 3.39Å; K41-L43 VanDerWaalsContact C-N 3.33Å; K41-Y125 HydrophobicContact CB-CD1 3.58Å; K41-Y125 HydrophobicContact CB-CE1 4.19Å; K41-Y125 HydrophobicContact CB-CG 3.77Å; K41-Y125 HydrophobicContact CD-CD2 4.34Å; K41-Y125 HydrophobicContact CD-CG 4.39Å; K41-R151 PolarHBondContact O-NH2 2.79Å
42	Y	98.2	Very high	97.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-78.6	-17.4	-179.9	-161	-102.7	0	0	0	113.7	F37 D38 I39 A40 W46 Y66 Y118 V120 T123 Y125 S129	F37-Y42 AromaticContact CE2-CD2 3.65Å; F37-Y42 HydrophobicContact CE2-CD2 3.65Å; F37-Y42 HydrophobicContact CE2-CE2 4.24Å; F37-Y42 AromaticContact CE2-CG 3.84Å; F37-Y42 HydrophobicContact CE2-CG 3.84Å; F37-Y42 HydrophobicContact CZ-CD1 4.09Å; F37-Y42 AromaticContact CZ-CD2 3.97Å; F37-Y42 HydrophobicContact CZ-CD2 3.97Å; F37-Y42 AromaticContact CZ-CG 3.66Å; F37-Y42 HydrophobicContact CZ-CG 3.66Å; D38-Y42 PolarHBondContact O-N 3.36Å; I39-Y42 HydrophobicContact CD1-CD1 4.32Å; I39-Y42 WeakPolarHBondContact O-CB 3.02Å; I39-Y42 PolarHBondContact O-N 3.13Å; A40-Y42 VanDerWaalsContact C-N 3.28Å; A40-Y42 PolarHBondContact O-N 2.92Å; Y42-W46 AromaticContact CD2-CZ2 3.97Å; Y42-W46 HydrophobicContact CD2-CZ2 3.97Å; Y42-W46 AromaticContact CE2-CZ2 3.85Å; Y42-W46 HydrophobicContact CE2-CZ2 3.85Å; Y42-W46 PolarHBondContact O-NE1 2.66Å; Y42-Y66 HydrophobicContact CE1-CD2 4.44Å; Y42-Y66 HydrophobicContact CE1-CE2 4.21Å; Y42-Y118 HydrophobicContact CE1-CE1 4.5Å; Y42-Y118 PolarHBondContact OH-OH 3.03Å; Y42-V120 HydrophobicContact CE1-CG2 4.42Å; Y42-V120 HydrophobicContact CE2-CG1 4.17Å; Y42-V120 HydrophobicContact CE2-CG2 4.22Å; Y42-T123 HydrophobicContact CD2-CG2 4.14Å; Y42-T123 HydrophobicContact CE2-CG2 4.19Å; Y42-Y125 HydrophobicContact CD2-CD1 4.39Å; Y42-S129 VanDerWaalsContact CE2-OG 3.26Å; Y42-S129 WeakPolarHBondContact CE2-OG 3.41Å; Y42-S129 WeakPolarHBondContact OH-CB 3.26Å; Y42-S129 PolarHBondContact OH-OG 2.87Å
43	L	98.1	Very high	97.4	Very high	41 Å²	41	43.5 Å²	43.5	22%	0.215	23%	0.226	C	C	.	.			trans	-57.7	164.5	179.5	-61.7	-179.2	0	0	0	112.7	I39 K41 M68 I74 R151	I39-L43 WeakPolarHBondContact O-CG 3.05Å; I39-L43 PolarHBondContact O-N 2.8Å; K41-L43 VanDerWaalsContact C-N 3.33Å; L43-M68 HydrophobicContact CD1-CB 3.89Å; L43-M68 HydrophobicContact CD1-CE 4.5Å; L43-I74 HydrophobicContact CD2-CG1 4.46Å; L43-I74 HydrophobicContact CD2-CG2 4.31Å; L43-R151 PolarHBondContact O-NH1 2.87Å; L43-R151 PolarHBondContact O-NH2 3.4Å
44	G	98.3	Very high	97	Very high	24 Å²	24	42.9 Å²	42.9	25%	0.247	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	93	-165	-179.2	0	0	0	0	0	113.3	N65 Y66	G44-N65 WeakPolarHBondContact CA-OD1 3.35Å; G44-N65 PolarHBondContact O-OD1 2.8Å; G44-Y66 PolarHBondContact N-O 2.69Å; G44-Y66 PolarHBondContact O-N 3.25Å
45	K	98.5	Very high	96.6	Very high	70 Å²	70	44.5 Å²	44.5	30%	0.304	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	139.1	-172.3	-172.6	-178.7	-71.5	-150.6	0	111.4	Y47 A64 N65 R151 M189	K45-Y47 HydrophobicContact CD-CE1 4.23Å; K45-Y47 HydrophobicContact CD-CE2 3.79Å; K45-Y47 WeakPolarHBondContact CD-OH 3.43Å; K45-Y47 HydrophobicContact CG-CE2 4.18Å; K45-A64 CarbonylContact C-O 3.57Å; K45-A64 WeakPolarHBondContact CA-O 3.32Å; K45-N65 PolarHBondContact N-OD1 2.88Å; K45-R151 VanDerWaalsContact O-CD 3.29Å; K45-R151 WeakPolarHBondContact O-CD 3.47Å; K45-R151 PolarHBondContact O-NH1 3.19Å; K45-M189 PolarHBondContact NZ-O 2.84Å
46	W	98.8	Very high	96.2	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	132.1	170.3	-72	96.6	0	0	0	109.3	Y42 Q63 A64 Y66 Y128 M149 S150 R151	Y42-W46 AromaticContact CD2-CZ2 3.97Å; Y42-W46 HydrophobicContact CD2-CZ2 3.97Å; Y42-W46 AromaticContact CE2-CZ2 3.85Å; Y42-W46 HydrophobicContact CE2-CZ2 3.85Å; Y42-W46 PolarHBondContact O-NE1 2.66Å; W46-Q63 CarbonylContact O-C 3.57Å; W46-Q63 VanDerWaalsContact O-CA 3.22Å; W46-Q63 WeakPolarHBondContact O-CA 3.49Å; W46-Q63 WeakPolarHBondContact O-CB 3.48Å; W46-A64 PolarHBondContact N-O 2.98Å; W46-A64 PolarHBondContact O-N 2.87Å; W46-Y66 AromaticContact CD1-CD2 3.75Å; W46-Y66 AromaticContact CD1-CE2 3.84Å; W46-Y128 WeakPolarHBondContact CH2-O 3.47Å; W46-M149 HydrophobicContact CB-CB 4.22Å; W46-M149 HydrophobicContact CB-CE 3.65Å; W46-M149 HydrophobicContact CB-SD 4.28Å; W46-M149 HydrophobicContact CD2-CB 4.48Å; W46-M149 HydrophobicContact CE3-CB 3.95Å; W46-S150 CarbonylContact C-O 3.57Å; W46-S150 WeakPolarHBondContact CA-O 3.22Å; W46-S150 VanDerWaalsContact CE3-C 3.46Å; W46-R151 VanDerWaalsContact CE2-CZ 3.41Å; W46-R151 HydrophobicContact CE3-CG 4.32Å; W46-R151 HydrophobicContact CH2-CG 4.05Å; W46-R151 VanDerWaalsContact CZ2-CZ 3.48Å; W46-R151 HydrophobicContact CZ3-CG 3.91Å
47	Y	98.7	Very high	95.9	Very high	54 Å²	54	35.9 Å²	35.9	21%	0.212	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	135.2	173.3	-63	-91.9	0	0	0	109.2	K45 I49 Q63 M149 S150 R151 P153	K45-Y47 HydrophobicContact CD-CE1 4.23Å; K45-Y47 HydrophobicContact CD-CE2 3.79Å; K45-Y47 WeakPolarHBondContact CD-OH 3.43Å; K45-Y47 HydrophobicContact CG-CE2 4.18Å; Y47-I49 PolarHBondContact O-N 3.29Å; Y47-Q63 HydrophobicContact CD1-CB 4.38Å; Y47-M149 CarbonylContact O-C 3.52Å; Y47-M149 WeakPolarHBondContact O-CA 3.47Å; Y47-S150 PolarHBondContact N-O 3.27Å; Y47-S150 PolarHBondContact O-N 3.48Å; Y47-R151 WeakPolarHBondContact CE2-O 3.34Å; Y47-P153 HydrophobicContact CD1-CB 4.22Å; Y47-P153 HydrophobicContact CE1-CB 4.4Å
48	E	98.8	Very high	95.7	Very high	3 Å²	3	42.5 Å²	42.5	1%	0.014	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	120.3	171.3	-179.6	-176.7	97.2	0	0	109.5	K51 I62 W147 T180 Q182	E48-K51 HydrophobicContact CG-CB 4.46Å; E48-K51 VanDerWaalsContact OE1-CD 3.29Å; E48-K51 WeakPolarHBondContact OE1-CD 3.3Å; E48-K51 WeakPolarHBondContact OE1-CE 3.4Å; E48-K51 IonicContact OE1-NZ 2.69Å; E48-K51 PolarHBondContact OE1-NZ 3.48Å; E48-K51 VanDerWaalsContact OE1-NZ 3.14Å; E48-K51 IonicContact OE2-NZ 2.8Å; E48-I62 HydrophobicContact CB-CB 3.98Å; E48-I62 HydrophobicContact CB-CG2 3.92Å; E48-I62 PolarHBondContact N-O 3.42Å; E48-I62 WeakPolarHBondContact OE1-CD1 3.36Å; E48-W147 PolarHBondContact OE2-NE1 2.8Å; E48-T180 HydrophobicContact CB-CG2 4.4Å; E48-T180 HydrophobicContact CG-CG2 4.41Å; E48-T180 WeakPolarHBondContact O-CB 3.39Å; E48-T180 PolarHBondContact OE1-OG1 2.82Å; E48-Q182 PolarHBondContact O-NE2 2.85Å
49	I	98.6	Very high	95.6	Very high	18 Å²	18	40.7 Å²	40.7	9%	0.092	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-47.7	179.3	-58.8	-53.5	0	0	0	110.5	Y47 I148 S150 M155 V160 P179 T180	Y47-I49 PolarHBondContact O-N 3.29Å; I49-I148 HydrophobicContact CB-CG2 4.28Å; I49-I148 WeakPolarHBondContact CB-O 2.94Å; I49-I148 PolarHBondContact N-O 2.84Å; I49-S150 VanDerWaalsContact CG1-CB 3.48Å; I49-M155 HydrophobicContact CG1-CB 4.16Å; I49-M155 HydrophobicContact CG1-CE 4.41Å; I49-M155 HydrophobicContact CG2-CB 4.13Å; I49-V160 HydrophobicContact CG2-CG2 4.11Å; I49-P179 WeakPolarHBondContact O-CA 3.31Å; I49-T180 PolarHBondContact O-N 2.91Å
50	E	98.3	Very high	95.7	Very high	23 Å²	23	40.7 Å²	40.7	11%	0.107	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	154.5	174.1	-61.4	-145	-169.5	0	0	111	W147 I148 V160 K164 M177 M178 P179	E50-W147 CarbonylContact O-C 3.42Å; E50-W147 WeakPolarHBondContact O-CA 3.19Å; E50-I148 HydrophobicContact CB-CB 4.35Å; E50-I148 HydrophobicContact CB-CD1 4.45Å; E50-I148 PolarHBondContact N-O 2.94Å; E50-I148 PolarHBondContact O-N 3.19Å; E50-V160 HydrophobicContact CG-CG1 4.04Å; E50-V160 WeakPolarHBondContact OE1-CG1 3.14Å; E50-K164 IonicContact OE1-NZ 3.93Å; E50-K164 PolarHBondContact OE1-NZ 3.49Å; E50-K164 WeakPolarHBondContact OE2-CE 3.3Å; E50-K164 IonicContact OE2-NZ 3.74Å; E50-K164 PolarHBondContact OE2-NZ 2.9Å; E50-M177 HydrophobicContact CB-CE 3.98Å; E50-M178 VanDerWaalsContact CA-O 3.28Å; E50-M178 WeakPolarHBondContact CA-O 2.98Å; E50-P179 HydrophobicContact CG-CB 4.38Å
51	K	97.9	Very high	95.8	Very high	18 Å²	18	38 Å²	38	8%	0.078	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	159	175	62.4	170.3	159.4	-160.5	0	113.7	E48 E57 A146 W147 M177 M178	E48-K51 HydrophobicContact CG-CB 4.46Å; E48-K51 VanDerWaalsContact OE1-CD 3.29Å; E48-K51 WeakPolarHBondContact OE1-CD 3.3Å; E48-K51 WeakPolarHBondContact OE1-CE 3.4Å; E48-K51 IonicContact OE1-NZ 2.69Å; E48-K51 PolarHBondContact OE1-NZ 3.48Å; E48-K51 VanDerWaalsContact OE1-NZ 3.14Å; E48-K51 IonicContact OE2-NZ 2.8Å; K51-E57 WeakPolarHBondContact CD-OE1 3.27Å; K51-E57 VanDerWaalsContact NZ-CG 3.34Å; K51-E57 PolarHBondContact NZ-O 2.82Å; K51-E57 IonicContact NZ-OE1 2.83Å; K51-E57 PolarHBondContact NZ-OE1 2.94Å; K51-A146 CarbonylContact C-O 3.34Å; K51-A146 WeakPolarHBondContact CA-O 3.48Å; K51-A146 WeakPolarHBondContact CB-O 3.49Å; K51-W147 HydrophobicContact CB-CG 4.33Å; K51-M177 CarbonylContact O-C 3.48Å; K51-M177 VanDerWaalsContact O-CA 3.26Å; K51-M177 WeakPolarHBondContact O-CA 3.44Å; K51-M178 PolarHBondContact N-O 2.86Å; K51-M178 PolarHBondContact O-N 3.19Å
52	L	96.8	Very high	95.8	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	17%	0.165	C	C	.	.			trans	-69.5	148.6	158.1	-74.6	175.3	0	0	0	110.6	S54 A146 I172 K176 M177	L52-S54 PolarHBondContact O-N 2.76Å; L52-A146 HydrophobicContact CD1-CB 3.8Å; L52-A146 HydrophobicContact CG-CB 4.05Å; L52-A146 PolarHBondContact N-O 3.33Å; L52-I172 HydrophobicContact CD1-CG2 4.47Å; L52-K176 HydrophobicContact CD2-CB 4.39Å; L52-M177 HydrophobicContact CD2-CG 3.55Å; L52-M177 HydrophobicContact CG-CG 3.86Å
53	P	93.3	Very high	95.8	Very high	14 Å²	14	32.5 Å²	32.5	9%	0.091	17%	0.167	C	C	.	.			trans	-59.7	133.8	-175.3	-23.6	34.8	0	0	0	112.1	K176 M178	P53-K176 VanDerWaalsContact CD-O 3.26Å; P53-K176 WeakPolarHBondContact CD-O 3.23Å; P53-K176 HydrophobicContact CG-CB 4.19Å; P53-K176 WeakPolarHBondContact CG-O 3.27Å; P53-M178 HydrophobicContact CG-SD 4.1Å
54	S	91	Very high	95.8	Very high	8 Å²	8	30.6 Å²	30.6	6%	0.056	16%	0.156	C	C	.	.			trans	-128.9	149.4	176.9	83.2	0	0	0	0	111.3	G20 L52 E57	G20-S54 CarbonylContact O-C 3.59Å; L52-S54 PolarHBondContact O-N 2.76Å; S54-E57 PolarHBondContact OG-N 2.82Å; S54-E57 PolarHBondContact OG-O 2.6Å
55	N	88.9	Confident	95.8	Very high	77 Å²	77	32 Å²	32	41%	0.412	16%	0.159	S	C	.	.	S	Bend	trans	-85.3	-14.8	179.5	-80.3	-41.3	0	0	0	113.4	G20 Q21 K58	G20-N55 WeakPolarHBondContact CA-OD1 3.43Å; G20-N55 PolarHBondContact O-OD1 2.94Å; Q21-N55 PolarHBondContact OE1-ND2 2.97Å; N55-K58 VanDerWaalsContact O-CE 3.25Å; N55-K58 WeakPolarHBondContact O-CE 3.36Å
56	F	88.1	Confident	95.8	Very high	98 Å²	98	29 Å²	29	43%	0.43	15%	0.145	S	C	.	.	S	Bend	trans	-98.9	-14.3	-172.9	50.9	-100.4	0	0	0	114	K88 Y145 W147	F56-K88 PolarHBondContact O-NZ 2.8Å; F56-Y145 HydrophobicContact CE1-CD1 4.3Å; F56-Y145 AromaticContact CE1-CE1 3.77Å; F56-Y145 HydrophobicContact CE1-CE1 3.77Å; F56-Y145 HydrophobicContact CE1-CE2 4.23Å; F56-Y145 AromaticContact CE1-CZ 3.72Å; F56-Y145 HydrophobicContact CZ-CD1 4.34Å; F56-Y145 HydrophobicContact CZ-CE1 4.27Å; F56-W147 HydrophobicContact CE2-CZ2 4.33Å; F56-W147 AromaticContact CZ-CZ2 3.99Å; F56-W147 HydrophobicContact CZ-CZ2 3.99Å
57	E	88.6	Confident	95.7	Very high	22 Å²	22	31.6 Å²	31.6	10%	0.103	16%	0.161	C	C	.	.			trans	-141.1	104.5	-173.3	-179.9	-165.3	69.9	0	0	109.3	K51 S54 I62 E80	K51-E57 WeakPolarHBondContact CD-OE1 3.27Å; K51-E57 VanDerWaalsContact NZ-CG 3.34Å; K51-E57 PolarHBondContact NZ-O 2.82Å; K51-E57 IonicContact NZ-OE1 2.83Å; K51-E57 PolarHBondContact NZ-OE1 2.94Å; S54-E57 PolarHBondContact OG-N 2.82Å; S54-E57 PolarHBondContact OG-O 2.6Å; E57-I62 HydrophobicContact CG-CD1 3.54Å; E57-I62 HydrophobicContact CG-CG1 4.19Å; E57-I62 HydrophobicContact CG-CG2 4.22Å; E57-E80 WeakPolarHBondContact CA-OE2 3.42Å
58	K	92.3	Very high	95.6	Very high	151 Å²	151	33.3 Å²	33.3	66%	0.657	17%	0.172	S	C	*	.			trans	-130.5	0.7	-167.9	-64	-179.5	178.9	171.8	0	112.8	N55 E80	N55-K58 VanDerWaalsContact O-CE 3.25Å; N55-K58 WeakPolarHBondContact O-CE 3.36Å; K58-E80 PolarHBondContact N-OE2 3.09Å
59	G	95.1	Very high	95.2	Very high	22 Å²	22	36.2 Å²	36.2	23%	0.227	19%	0.185	C	C	.	.			trans	-81.1	-167.6	179.6	0	0	0	0	0	113.6	I62 E80 L81	G59-I62 WeakPolarHBondContact O-CD1 3.47Å; G59-E80 PolarHBondContact N-OE2 2.9Å; G59-L81 CarbonylContact C-O 3.54Å; G59-L81 WeakPolarHBondContact CA-O 3.49Å
60	S	97.3	Very high	94.8	Very high	27 Å²	27	45.4 Å²	45.4	19%	0.189	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	178.8	170.7	58.1	0	0	0	0	110.5	I62 L81 D181	S60-I62 PolarHBondContact O-N 2.89Å; S60-I62 VanDerWaalsContact O-N 3.12Å; S60-L81 PolarHBondContact N-O 3.06Å; S60-L81 PolarHBondContact O-N 2.88Å; S60-D181 WeakPolarHBondContact CB-O 3.45Å
61	C	98.1	Very high	94.1	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.014	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	57.5	27.5	178.3	-58	0	0	0	0	113.5	Q63 L81 D181 C185 M189	C61-Q63 PolarHBondContact O-N 2.79Å; C61-L81 HydrophobicContact CB-CB 4.16Å; C61-D181 PolarHBondContact N-O 2.75Å; C61-C185 VanDerWaalsContact CA-SG 3.56Å; C61-C185 HydrophobicContact CB-CB 3.77Å; C61-C185 WeakPolarHBondContact CB-SG 3.34Å; C61-C185 WeakPolarHBondContact SG-CA 3.47Å; C61-C185 WeakPolarHBondContact SG-CB 2.94Å; C61-C185 CovalentContact SG-SG 2.03Å; C61-C185 PolarHBondContact SG-SG 2.98Å; C61-M189 HydrophobicContact CB-CE 3.48Å; C61-M189 VanDerWaalsContact CB-CE 3.48Å; C61-M189 HydrophobicContact CB-CG 4.14Å; C61-M189 HydrophobicContact CB-SD 4.17Å; C61-M189 WeakPolarHBondContact O-CE 3.45Å
62	I	98.3	Very high	93.5	Very high	3 Å²	3	51 Å²	51	2%	0.015	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	131.8	-168.2	-62.5	160.6	0	0	0	109.7	E48 E57 G59 S60 K79 E80 T180 Q182	E48-I62 HydrophobicContact CB-CB 3.98Å; E48-I62 HydrophobicContact CB-CG2 3.92Å; E48-I62 PolarHBondContact N-O 3.42Å; E48-I62 WeakPolarHBondContact OE1-CD1 3.36Å; E57-I62 HydrophobicContact CG-CD1 3.54Å; E57-I62 HydrophobicContact CG-CG1 4.19Å; E57-I62 HydrophobicContact CG-CG2 4.22Å; G59-I62 WeakPolarHBondContact O-CD1 3.47Å; S60-I62 PolarHBondContact O-N 2.89Å; S60-I62 VanDerWaalsContact O-N 3.12Å; I62-K79 WeakPolarHBondContact CA-O 3.46Å; I62-E80 HydrophobicContact CG1-CB 3.76Å; I62-T180 HydrophobicContact CB-CG2 4.08Å; I62-T180 HydrophobicContact CD1-CG2 3.95Å; I62-T180 HydrophobicContact CG1-CG2 4.2Å; I62-Q182 PolarHBondContact O-NE2 3.38Å
63	Q	98.3	Very high	93.1	Very high	7 Å²	7	55.4 Å²	55.4	3%	0.033	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	149.9	178.9	54.7	173.3	-13.9	0	0	110.6	W46 Y47 C61 N78 K79 M189	W46-Q63 CarbonylContact O-C 3.57Å; W46-Q63 VanDerWaalsContact O-CA 3.22Å; W46-Q63 WeakPolarHBondContact O-CA 3.49Å; W46-Q63 WeakPolarHBondContact O-CB 3.48Å; Y47-Q63 HydrophobicContact CD1-CB 4.38Å; C61-Q63 PolarHBondContact O-N 2.79Å; Q63-N78 WeakPolarHBondContact O-CA 3.22Å; Q63-K79 HydrophobicContact CG-CB 4.03Å; Q63-K79 PolarHBondContact N-O 2.85Å; Q63-K79 VanDerWaalsContact N-O 3.1Å; Q63-K79 PolarHBondContact O-N 2.84Å; Q63-M189 HydrophobicContact CG-CE 4.38Å; Q63-M189 PolarHBondContact NE2-OXT 3.16Å
64	A	98.4	Very high	93.1	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	130.2	173.8	0	0	0	0	0	109	K45 W46 Y66 V76 I77 N78 M149	K45-A64 CarbonylContact C-O 3.57Å; K45-A64 WeakPolarHBondContact CA-O 3.32Å; W46-A64 PolarHBondContact N-O 2.98Å; W46-A64 PolarHBondContact O-N 2.87Å; A64-Y66 HydrophobicContact CB-CD2 4.43Å; A64-Y66 HydrophobicContact CB-CE2 3.6Å; A64-V76 HydrophobicContact CB-CG2 4.15Å; A64-I77 CarbonylContact C-O 3.52Å; A64-I77 WeakPolarHBondContact CA-O 3.47Å; A64-N78 WeakPolarHBondContact CA-OD1 3.33Å; A64-N78 WeakPolarHBondContact CB-OD1 3.4Å; A64-M149 HydrophobicContact CB-CE 3.8Å
65	N	98.5	Very high	93.4	Very high	55 Å²	55	57.1 Å²	57.1	29%	0.294	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	116.5	172.8	-172.5	36.8	0	0	0	110.5	G44 K45 V76 I77	G44-N65 WeakPolarHBondContact CA-OD1 3.35Å; G44-N65 PolarHBondContact O-OD1 2.8Å; K45-N65 PolarHBondContact N-OD1 2.88Å; N65-V76 WeakPolarHBondContact O-CA 3.35Å; N65-I77 PolarHBondContact N-O 3.29Å; N65-I77 PolarHBondContact O-N 2.9Å
66	Y	98.2	Very high	93.8	Very high	6 Å²	6	53.5 Å²	53.5	2%	0.024	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	124.8	-179.3	-62.4	-92.5	0	0	0	110.4	Y42 G44 W46 A64 I74 K75 V76 V94 Y118	Y42-Y66 HydrophobicContact CE1-CD2 4.44Å; Y42-Y66 HydrophobicContact CE1-CE2 4.21Å; G44-Y66 PolarHBondContact N-O 2.69Å; G44-Y66 PolarHBondContact O-N 3.25Å; W46-Y66 AromaticContact CD1-CD2 3.75Å; W46-Y66 AromaticContact CD1-CE2 3.84Å; A64-Y66 HydrophobicContact CB-CD2 4.43Å; A64-Y66 HydrophobicContact CB-CE2 3.6Å; Y66-I74 HydrophobicContact CD1-CG2 4.37Å; Y66-K75 CarbonylContact C-O 3.5Å; Y66-K75 WeakPolarHBondContact CA-O 3.37Å; Y66-V76 HydrophobicContact CD1-CB 3.91Å; Y66-V76 HydrophobicContact CD1-CG2 3.95Å; Y66-V76 HydrophobicContact CE1-CB 3.79Å; Y66-V76 HydrophobicContact CE1-CG2 3.54Å; Y66-V76 HydrophobicContact CE2-CG2 4.31Å; Y66-V76 HydrophobicContact CG-CG2 4.48Å; Y66-V94 HydrophobicContact CD1-CG2 4.09Å; Y66-V94 HydrophobicContact CE1-CG2 4.05Å; Y66-Y118 VanDerWaalsContact OH-CZ 3.24Å; Y66-Y118 PolarHBondContact OH-OH 2.65Å
67	V	97.3	Very high	94.3	Very high	54 Å²	54	50.1 Å²	50.1	33%	0.327	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	129.5	-173.9	-175.5	0	0	0	0	110	K75	V67-K75 HydrophobicContact CB-CB 4.41Å; V67-K75 PolarHBondContact N-O 2.83Å; V67-K75 PolarHBondContact O-N 3.1Å
68	M	95.3	Very high	94.7	Very high	91 Å²	91	50.2 Å²	50.2	45%	0.448	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	126.7	171.9	-170.5	142.8	-77.3	0	0	110.3	L43 I74	L43-M68 HydrophobicContact CD1-CB 3.89Å; L43-M68 HydrophobicContact CD1-CE 4.5Å; M68-I74 HydrophobicContact CE-CD1 4.09Å; M68-I74 HydrophobicContact CE-CG1 3.76Å
69	K	91.6	Very high	95	Very high	64 Å²	64	45.1 Å²	45.1	28%	0.278	24%	0.242	S	C	.	.			trans	-84.8	157	172.5	-63.1	-171.2	-179.8	-170.3	0	109.5	N71 G72 K73 K75 E91	K69-N71 WeakPolarHBondContact CB-OD1 3.29Å; K69-N71 PolarHBondContact O-N 3.35Å; K69-N71 VanDerWaalsContact O-N 3.14Å; K69-G72 PolarHBondContact O-N 3.12Å; K69-K73 WeakPolarHBondContact CB-O 3.15Å; K69-K73 PolarHBondContact N-O 3.05Å; K69-K75 HydrophobicContact CD-CB 4.41Å; K69-K75 VanDerWaalsContact CE-CB 3.42Å; K69-K75 HydrophobicContact CG-CB 4.19Å; K69-E91 IonicContact NZ-OE1 2.92Å; K69-E91 PolarHBondContact NZ-OE1 3.11Å
70	E	88.6	Confident	95.1	Very high	210 Å²	210	44.7 Å²	44.7	98%	0.981	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-28.7	178.6	-64.2	178.9	174.2	0	0	113.3	G72	E70-G72 PolarHBondContact O-N 2.82Å
71	N	85	Confident	95.1	Very high	106 Å²	106	44.7 Å²	44.7	57%	0.567	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.6	9.9	177.6	67.3	-0.8	0	0	0	113.9	K69 K73	K69-N71 WeakPolarHBondContact CB-OD1 3.29Å; K69-N71 PolarHBondContact O-N 3.35Å; K69-N71 VanDerWaalsContact O-N 3.14Å; N71-K73 PolarHBondContact O-N 2.93Å; N71-K73 VanDerWaalsContact OD1-CB 3.3Å; N71-K73 WeakPolarHBondContact OD1-CB 3.26Å; N71-K73 PolarHBondContact OD1-N 2.85Å; N71-K73 VanDerWaalsContact OD1-N 3.09Å
72	G	83.8	Confident	95	Very high	54 Å²	54	47.8 Å²	47.8	56%	0.557	25%	0.246	S	C	*	.	S	Bend	trans	77.1	-2.6	-179.5	0	0	0	0	0	114.9	K69 E70	K69-G72 PolarHBondContact O-N 3.12Å; E70-G72 PolarHBondContact O-N 2.82Å
73	K	88.3	Confident	94.8	Very high	92 Å²	92	54 Å²	54	40%	0.4	29%	0.29	S	S	.	.			trans	-78.7	160.4	172.1	-60.7	-166	176.5	-166.9	0	111.2	K69 N71 E93	K69-K73 WeakPolarHBondContact CB-O 3.15Å; K69-K73 PolarHBondContact N-O 3.05Å; N71-K73 PolarHBondContact O-N 2.93Å; N71-K73 VanDerWaalsContact OD1-CB 3.3Å; N71-K73 WeakPolarHBondContact OD1-CB 3.26Å; N71-K73 PolarHBondContact OD1-N 2.85Å; N71-K73 VanDerWaalsContact OD1-N 3.09Å; K73-E93 VanDerWaalsContact CD-CD 3.49Å; K73-E93 HydrophobicContact CD-CG 4.39Å; K73-E93 WeakPolarHBondContact CD-OE2 3.35Å; K73-E93 VanDerWaalsContact NZ-CD 3.29Å; K73-E93 IonicContact NZ-OE1 2.72Å; K73-E93 PolarHBondContact NZ-OE1 2.81Å; K73-E93 IonicContact NZ-OE2 3.08Å; K73-E93 PolarHBondContact NZ-OE2 3.15Å; K73-E93 VanDerWaalsContact NZ-OE2 3.08Å
74	I	95.1	Very high	94.6	Very high	9 Å²	9	58.3 Å²	58.3	5%	0.046	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	129.7	177.3	-65.5	155.9	0	0	0	109.4	I39 L43 Y66 M68 V94	I39-I74 HydrophobicContact CB-CD1 4.46Å; I39-I74 HydrophobicContact CD1-CD1 3.86Å; I39-I74 HydrophobicContact CG1-CD1 3.2Å; I39-I74 HydrophobicContact CG2-CD1 4.46Å; L43-I74 HydrophobicContact CD2-CG1 4.46Å; L43-I74 HydrophobicContact CD2-CG2 4.31Å; Y66-I74 HydrophobicContact CD1-CG2 4.37Å; M68-I74 HydrophobicContact CE-CD1 4.09Å; M68-I74 HydrophobicContact CE-CG1 3.76Å; I74-V94 HydrophobicContact CB-CB 3.91Å; I74-V94 HydrophobicContact CG2-CB 3.84Å; I74-V94 HydrophobicContact CG2-CG1 4.44Å; I74-V94 HydrophobicContact CG2-CG2 3.99Å; I74-V94 PolarHBondContact O-N 2.86Å
75	K	96.1	Very high	94.4	Very high	50 Å²	50	61.1 Å²	61.1	22%	0.217	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	141.6	168.1	-168.4	168.3	51	171.4	0	109.4	Y66 V67 K69 I77 E91 G92	Y66-K75 CarbonylContact C-O 3.5Å; Y66-K75 WeakPolarHBondContact CA-O 3.37Å; V67-K75 HydrophobicContact CB-CB 4.41Å; V67-K75 PolarHBondContact N-O 2.83Å; V67-K75 PolarHBondContact O-N 3.1Å; K69-K75 HydrophobicContact CD-CB 4.41Å; K69-K75 VanDerWaalsContact CE-CB 3.42Å; K69-K75 HydrophobicContact CG-CB 4.19Å; K75-I77 HydrophobicContact CD-CD1 4.24Å; K75-I77 HydrophobicContact CD-CG1 4.02Å; K75-I77 HydrophobicContact CG-CG1 4.18Å; K75-E91 HydrophobicContact CD-CG 3.65Å; K75-E91 WeakPolarHBondContact CD-OE1 3.08Å; K75-E91 VanDerWaalsContact CD-OE2 3.25Å; K75-E91 WeakPolarHBondContact CD-OE2 3.29Å; K75-E91 HydrophobicContact CG-CG 3.72Å; K75-E91 IonicContact NZ-OE2 3.95Å; K75-G92 WeakPolarHBondContact CA-O 3.42Å
76	V	97.8	Very high	94.2	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	134.7	160.1	60.5	0	0	0	0	109	A64 N65 Y66 E91 G92 V94 I107 F109	A64-V76 HydrophobicContact CB-CG2 4.15Å; N65-V76 WeakPolarHBondContact O-CA 3.35Å; Y66-V76 HydrophobicContact CD1-CB 3.91Å; Y66-V76 HydrophobicContact CD1-CG2 3.95Å; Y66-V76 HydrophobicContact CE1-CB 3.79Å; Y66-V76 HydrophobicContact CE1-CG2 3.54Å; Y66-V76 HydrophobicContact CE2-CG2 4.31Å; Y66-V76 HydrophobicContact CG-CG2 4.48Å; V76-E91 CarbonylContact O-C 3.58Å; V76-E91 WeakPolarHBondContact O-CA 3.43Å; V76-G92 PolarHBondContact N-O 2.87Å; V76-G92 PolarHBondContact O-N 3.45Å; V76-V94 HydrophobicContact CB-CG2 3.98Å; V76-V94 HydrophobicContact CG1-CG2 3.95Å; V76-I107 HydrophobicContact CG1-CG2 4.16Å; V76-F109 HydrophobicContact CG1-CE1 4.12Å
77	I	97.9	Very high	94.2	Very high	28 Å²	28	67 Å²	67	14%	0.144	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	113.4	171.4	-58.1	166	0	0	0	107	A64 N65 K75 E89	A64-I77 CarbonylContact C-O 3.52Å; A64-I77 WeakPolarHBondContact CA-O 3.47Å; N65-I77 PolarHBondContact N-O 3.29Å; N65-I77 PolarHBondContact O-N 2.9Å; K75-I77 HydrophobicContact CD-CD1 4.24Å; K75-I77 HydrophobicContact CD-CG1 4.02Å; K75-I77 HydrophobicContact CG-CG1 4.18Å; I77-E89 HydrophobicContact CG2-CG 3.48Å; I77-E89 VanDerWaalsContact CG2-CG 3.48Å
78	N	97.8	Very high	94.1	Very high	24 Å²	24	68 Å²	68	13%	0.128	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	135	173.2	-70.9	-59.8	0	0	0	110	Q63 A64 E89 I90 F109	Q63-N78 WeakPolarHBondContact O-CA 3.22Å; A64-N78 WeakPolarHBondContact CA-OD1 3.33Å; A64-N78 WeakPolarHBondContact CB-OD1 3.4Å; N78-E89 CarbonylContact O-C 3.57Å; N78-E89 WeakPolarHBondContact O-CA 2.88Å; N78-I90 HydrophobicContact CB-CG2 3.82Å; N78-I90 PolarHBondContact N-O 3.39Å; N78-I90 PolarHBondContact O-N 2.95Å; N78-F109 VanDerWaalsContact ND2-CE1 3.25Å; N78-F109 WeakPolarHBondContact ND2-CE1 3.1Å; N78-F109 WeakPolarHBondContact ND2-CZ 3.42Å
79	K	97.7	Very high	94.2	Very high	44 Å²	44	69 Å²	69	19%	0.191	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	139.7	173.2	-73	176.9	167.4	-169.4	0	110.1	I62 Q63 V87 K88 E89 E188 M189	I62-K79 WeakPolarHBondContact CA-O 3.46Å; Q63-K79 HydrophobicContact CG-CB 4.03Å; Q63-K79 PolarHBondContact N-O 2.85Å; Q63-K79 VanDerWaalsContact N-O 3.1Å; Q63-K79 PolarHBondContact O-N 2.84Å; K79-V87 HydrophobicContact CB-CG1 4.37Å; K79-V87 HydrophobicContact CD-CG1 4.4Å; K79-V87 HydrophobicContact CG-CG1 4.36Å; K79-K88 CarbonylContact C-O 3.48Å; K79-K88 VanDerWaalsContact CA-O 3.3Å; K79-K88 WeakPolarHBondContact CA-O 3.36Å; K79-E89 WeakPolarHBondContact CE-OE2 3.26Å; K79-E89 HydrophobicContact CG-CB 4.14Å; K79-E89 HydrophobicContact CG-CG 3.95Å; K79-E89 IonicContact NZ-OE2 3.14Å; K79-E188 PolarHBondContact NZ-O 3.2Å; K79-M189 HydrophobicContact CB-CE 4.03Å; K79-M189 VanDerWaalsContact CD-OXT 3.3Å; K79-M189 WeakPolarHBondContact CD-OXT 3.33Å; K79-M189 PolarHBondContact NZ-OXT 3.23Å
80	E	97.6	Very high	94.4	Very high	13 Å²	13	69.2 Å²	69.2	6%	0.061	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	143.2	169.2	69.1	176.8	169.4	0	0	110.2	E57 K58 G59 I62 Q82 K88	E57-E80 WeakPolarHBondContact CA-OE2 3.42Å; K58-E80 PolarHBondContact N-OE2 3.09Å; G59-E80 PolarHBondContact N-OE2 2.9Å; I62-E80 HydrophobicContact CG1-CB 3.76Å; E80-Q82 HydrophobicContact CG-CG 4.47Å; E80-K88 HydrophobicContact CG-CB 4.01Å; E80-K88 HydrophobicContact CG-CD 4Å; E80-K88 PolarHBondContact N-O 2.93Å; E80-K88 PolarHBondContact O-N 3.45Å; E80-K88 WeakPolarHBondContact OE1-CD 3.42Å; E80-K88 IonicContact OE1-NZ 3.74Å; E80-K88 PolarHBondContact OE1-NZ 2.78Å
81	L	97.7	Very high	94.7	Very high	27 Å²	27	63.6 Å²	63.6	14%	0.141	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	117.7	167	-178.9	65.3	0	0	0	108.9	G59 S60 C61 G85 V87 P186 M189	G59-L81 CarbonylContact C-O 3.54Å; G59-L81 WeakPolarHBondContact CA-O 3.49Å; S60-L81 PolarHBondContact N-O 3.06Å; S60-L81 PolarHBondContact O-N 2.88Å; C61-L81 HydrophobicContact CB-CB 4.16Å; L81-G85 WeakPolarHBondContact CD1-O 3.26Å; L81-V87 HydrophobicContact CD1-CG2 4.39Å; L81-P186 HydrophobicContact CD1-CG 4.13Å; L81-P186 HydrophobicContact CD2-CG 4.37Å; L81-M189 HydrophobicContact CB-SD 4.36Å
82	Q	95.7	Very high	95.2	Very high	66 Å²	66	58.8 Å²	58.8	31%	0.308	33%	0.325	S	S	.	.			trans	-81.5	160.3	179.4	-59.1	-165	-55	0	0	111.7	E80 N84 G85 K86 K88	E80-Q82 HydrophobicContact CG-CG 4.47Å; Q82-N84 WeakPolarHBondContact CB-OD1 3.47Å; Q82-N84 PolarHBondContact O-N 3.43Å; Q82-G85 WeakPolarHBondContact O-CA 3.36Å; Q82-G85 PolarHBondContact O-N 2.96Å; Q82-K86 WeakPolarHBondContact CB-O 2.87Å; Q82-K86 PolarHBondContact N-O 3.31Å; Q82-K88 HydrophobicContact CG-CB 3.87Å
83	S	94	Very high	95.8	Very high	135 Å²	135	58.3 Å²	58.3	94%	0.944	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-17.8	178.6	57.6	0	0	0	0	114.9	G85	S83-G85 VanDerWaalsContact C-N 3.27Å
84	N	94.3	Very high	96.1	Very high	97 Å²	97	54.1 Å²	54.1	52%	0.519	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	6.2	173.2	65.8	10.9	0	0	0	113.2	Q82 K86	Q82-N84 WeakPolarHBondContact CB-OD1 3.47Å; Q82-N84 PolarHBondContact O-N 3.43Å; N84-K86 VanDerWaalsContact C-N 3.3Å; N84-K86 PolarHBondContact O-N 3.17Å; N84-K86 VanDerWaalsContact OD1-CB 3.26Å; N84-K86 WeakPolarHBondContact OD1-CB 3.44Å; N84-K86 WeakPolarHBondContact OD1-CG 2.84Å; N84-K86 PolarHBondContact OD1-N 3.36Å
85	G	93.8	Very high	96	Very high	58 Å²	58	57 Å²	57	60%	0.598	30%	0.304	S	S	*	.	S	Bend	trans	79.3	2.2	-178.6	0	0	0	0	0	115.1	L81 Q82 S83	L81-G85 WeakPolarHBondContact CD1-O 3.26Å; Q82-G85 WeakPolarHBondContact O-CA 3.36Å; Q82-G85 PolarHBondContact O-N 2.96Å; S83-G85 VanDerWaalsContact C-N 3.27Å
86	K	95.4	Very high	95.7	Very high	140 Å²	140	58.3 Å²	58.3	61%	0.609	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-88.6	141.1	178.4	-61.4	-175.6	178.1	-175.6	0	111.2	Q82 N84	Q82-K86 WeakPolarHBondContact CB-O 2.87Å; Q82-K86 PolarHBondContact N-O 3.31Å; N84-K86 VanDerWaalsContact C-N 3.3Å; N84-K86 PolarHBondContact O-N 3.17Å; N84-K86 VanDerWaalsContact OD1-CB 3.26Å; N84-K86 WeakPolarHBondContact OD1-CB 3.44Å; N84-K86 WeakPolarHBondContact OD1-CG 2.84Å; N84-K86 PolarHBondContact OD1-N 3.36Å
87	V	97	Very high	95.3	Very high	45 Å²	45	63 Å²	63	27%	0.273	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	124.2	167.7	-177.8	0	0	0	0	108.7	K79 L81 E188 M189	K79-V87 HydrophobicContact CB-CG1 4.37Å; K79-V87 HydrophobicContact CD-CG1 4.4Å; K79-V87 HydrophobicContact CG-CG1 4.36Å; L81-V87 HydrophobicContact CD1-CG2 4.39Å; V87-E188 HydrophobicContact CG2-CB 4.41Å; V87-M189 HydrophobicContact CG1-SD 4.02Å; V87-M189 HydrophobicContact CG2-SD 3.74Å
88	K	96.1	Very high	94.8	Very high	76 Å²	76	65 Å²	65	33%	0.33	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	129.8	168.8	177.9	-158.6	174.2	-170.7	0	108.1	F56 K79 E80 Q82	F56-K88 PolarHBondContact O-NZ 2.8Å; K79-K88 CarbonylContact C-O 3.48Å; K79-K88 VanDerWaalsContact CA-O 3.3Å; K79-K88 WeakPolarHBondContact CA-O 3.36Å; E80-K88 HydrophobicContact CG-CB 4.01Å; E80-K88 HydrophobicContact CG-CD 4Å; E80-K88 PolarHBondContact N-O 2.93Å; E80-K88 PolarHBondContact O-N 3.45Å; E80-K88 WeakPolarHBondContact OE1-CD 3.42Å; E80-K88 IonicContact OE1-NZ 3.74Å; E80-K88 PolarHBondContact OE1-NZ 2.78Å; Q82-K88 HydrophobicContact CG-CB 3.87Å
89	E	96.3	Very high	94.2	Very high	111 Å²	111	70.1 Å²	70.1	52%	0.519	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	141.5	176.7	-174	175.2	119	0	0	109.9	I77 N78 K79	I77-E89 HydrophobicContact CG2-CG 3.48Å; I77-E89 VanDerWaalsContact CG2-CG 3.48Å; N78-E89 CarbonylContact O-C 3.57Å; N78-E89 WeakPolarHBondContact O-CA 2.88Å; K79-E89 WeakPolarHBondContact CE-OE2 3.26Å; K79-E89 HydrophobicContact CG-CB 4.14Å; K79-E89 HydrophobicContact CG-CG 3.95Å; K79-E89 IonicContact NZ-OE2 3.14Å
90	I	95.6	Very high	93.9	Very high	69 Å²	69	76.8 Å²	76.8	35%	0.354	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	130	171.7	-167.7	171.2	0	0	0	110.6	N78 F109	N78-I90 HydrophobicContact CB-CG2 3.82Å; N78-I90 PolarHBondContact N-O 3.39Å; N78-I90 PolarHBondContact O-N 2.95Å; I90-F109 HydrophobicContact CD1-CB 3.82Å; I90-F109 HydrophobicContact CD1-CD1 3.97Å; I90-F109 HydrophobicContact CD1-CG 4Å; I90-F109 HydrophobicContact CG1-CB 4.31Å; I90-F109 HydrophobicContact CG1-CD1 3.87Å; I90-F109 HydrophobicContact CG1-CG 4.38Å; I90-F109 HydrophobicContact CG2-CD1 4.1Å; I90-F109 HydrophobicContact CG2-CE1 4.1Å
91	E	96.4	Very high	93.7	Very high	91 Å²	91	79.5 Å²	79.5	43%	0.425	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	138.7	173.6	178.3	171.6	154.4	0	0	110.2	K69 K75 V76	K69-E91 IonicContact NZ-OE1 2.92Å; K69-E91 PolarHBondContact NZ-OE1 3.11Å; K75-E91 HydrophobicContact CD-CG 3.65Å; K75-E91 WeakPolarHBondContact CD-OE1 3.08Å; K75-E91 VanDerWaalsContact CD-OE2 3.25Å; K75-E91 WeakPolarHBondContact CD-OE2 3.29Å; K75-E91 HydrophobicContact CG-CG 3.72Å; K75-E91 IonicContact NZ-OE2 3.95Å; V76-E91 CarbonylContact O-C 3.58Å; V76-E91 WeakPolarHBondContact O-CA 3.43Å
92	G	95.8	Very high	93.6	Very high	5 Å²	5	80.1 Å²	80.1	5%	0.052	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	169.5	171.2	0	0	0	0	0	112.9	K75 V76 S108	K75-G92 WeakPolarHBondContact CA-O 3.42Å; V76-G92 PolarHBondContact N-O 2.87Å; V76-G92 PolarHBondContact O-N 3.45Å; G92-S108 CarbonylContact C-O 3.59Å; G92-S108 WeakPolarHBondContact CA-O 3.46Å
93	E	95.6	Very high	93.6	Very high	44 Å²	44	77 Å²	77	21%	0.206	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	138.2	173.8	-175.9	166.5	115.4	0	0	109.6	K73 I107 S108 Y115	K73-E93 VanDerWaalsContact CD-CD 3.49Å; K73-E93 HydrophobicContact CD-CG 4.39Å; K73-E93 WeakPolarHBondContact CD-OE2 3.35Å; K73-E93 VanDerWaalsContact NZ-CD 3.29Å; K73-E93 IonicContact NZ-OE1 2.72Å; K73-E93 PolarHBondContact NZ-OE1 2.81Å; K73-E93 IonicContact NZ-OE2 3.08Å; K73-E93 PolarHBondContact NZ-OE2 3.15Å; K73-E93 VanDerWaalsContact NZ-OE2 3.08Å; E93-I107 WeakPolarHBondContact O-CA 3.41Å; E93-S108 PolarHBondContact N-O 3.5Å; E93-S108 PolarHBondContact O-N 3.29Å; E93-Y115 PolarHBondContact OE1-OH 2.97Å
94	V	95.2	Very high	93.8	Very high	4 Å²	4	71.6 Å²	71.6	2%	0.024	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	135.6	175.8	179.9	0	0	0	0	108.3	Y66 I74 V76 L105 G106 I107	Y66-V94 HydrophobicContact CD1-CG2 4.09Å; Y66-V94 HydrophobicContact CE1-CG2 4.05Å; I74-V94 HydrophobicContact CB-CB 3.91Å; I74-V94 HydrophobicContact CG2-CB 3.84Å; I74-V94 HydrophobicContact CG2-CG1 4.44Å; I74-V94 HydrophobicContact CG2-CG2 3.99Å; I74-V94 PolarHBondContact O-N 2.86Å; V76-V94 HydrophobicContact CB-CG2 3.98Å; V76-V94 HydrophobicContact CG1-CG2 3.95Å; V94-L105 HydrophobicContact CG1-CB 4.1Å; V94-L105 HydrophobicContact CG1-CD1 4Å; V94-L105 HydrophobicContact CG1-CD2 4.41Å; V94-L105 HydrophobicContact CG1-CG 4.4Å; V94-G106 CarbonylContact C-O 3.6Å; V94-G106 WeakPolarHBondContact CA-O 3.29Å; V94-I107 HydrophobicContact CG2-CD1 4.06Å; V94-I107 HydrophobicContact CG2-CG1 3.98Å
95	M	91.6	Very high	93.9	Very high	71 Å²	71	67 Å²	67	35%	0.35	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	157.4	174.8	65.7	172	-80.7	0	0	112.1	M97 L105 G106 Y115	M95-M97 HydrophobicContact CE-SD 3.83Å; M95-M97 HydrophobicContact CG-SD 4.02Å; M95-M97 HydrophobicContact SD-SD 4.07Å; M95-L105 CarbonylContact O-C 3.53Å; M95-L105 VanDerWaalsContact O-CA 3.3Å; M95-L105 WeakPolarHBondContact O-CA 3.19Å; M95-G106 PolarHBondContact N-O 2.83Å; M95-G106 PolarHBondContact O-N 3.35Å; M95-Y115 HydrophobicContact CB-CE1 4.33Å; M95-Y115 HydrophobicContact CG-CD1 3.63Å; M95-Y115 HydrophobicContact CG-CD2 4.42Å; M95-Y115 HydrophobicContact CG-CE1 3.62Å; M95-Y115 HydrophobicContact CG-CE2 4.41Å; M95-Y115 HydrophobicContact CG-CG 4.05Å; M95-Y115 HydrophobicContact SD-CD1 3.84Å; M95-Y115 HydrophobicContact SD-CD2 3.51Å; M95-Y115 VanDerWaalsContact SD-CD2 3.51Å; M95-Y115 HydrophobicContact SD-CE1 3.79Å; M95-Y115 HydrophobicContact SD-CE2 3.45Å; M95-Y115 WeakPolarHBondContact SD-CE2 3.44Å; M95-Y115 HydrophobicContact SD-CG 3.7Å; M95-Y115 VanDerWaalsContact SD-CZ 3.59Å
96	H	91.3	Very high	94	Very high	77 Å²	77	64.3 Å²	64.3	36%	0.356	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	126.5	167.2	-66.8	-78.2	0	0	0	109.7	P102 L105	H96-P102 PolarHBondContact CE1-O 2.87Å; H96-P102 PolarHBondContact ND1-O 3.37Å; H96-L105 WeakPolarHBondContact ND1-CD2 3.11Å
97	M	88.1	Confident	94	Very high	98 Å²	98	58.2 Å²	58.2	48%	0.483	29%	0.29	S	S	.	.	S	Bend	trans	-84	-32.6	178.1	-61.6	-62.5	-69	0	0	111.8	M95 K104	M95-M97 HydrophobicContact CE-SD 3.83Å; M95-M97 HydrophobicContact CG-SD 4.02Å; M95-M97 HydrophobicContact SD-SD 4.07Å; M97-K104 WeakPolarHBondContact CB-O 3.38Å; M97-K104 PolarHBondContact N-O 3.32Å; M97-K104 VanDerWaalsContact N-O 3.14Å
98	D	87.8	Confident	93.9	Very high	69 Å²	69	56.4 Å²	56.4	37%	0.369	28%	0.28	S	S	.	.			trans	-139.6	129.8	171.6	-170.5	-15.3	0	0	0	109.3	K100 E101	D98-K100 PolarHBondContact O-N 2.7Å; D98-K100 WeakPolarHBondContact OD1-CB 3.42Å; D98-K100 PolarHBondContact OD1-N 2.79Å; D98-E101 HydrophobicContact CB-CB 4.48Å; D98-E101 CarbonylContact O-C 3.47Å; D98-E101 PolarHBondContact O-N 2.8Å
99	V	85.3	Confident	93.7	Very high	133 Å²	133	56.9 Å²	56.9	81%	0.806	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-25	177.5	-177.1	0	0	0	0	111.4
100	K	91.8	Very high	93.3	Very high	183 Å²	183	54.9 Å²	54.9	80%	0.796	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-23.3	177.8	-62.7	-180	-179.3	178.1	0	113.2	D98 P102	D98-K100 PolarHBondContact O-N 2.7Å; D98-K100 WeakPolarHBondContact OD1-CB 3.42Å; D98-K100 PolarHBondContact OD1-N 2.79Å; K100-P102 WeakPolarHBondContact O-CD 3.49Å
101	E	93.6	Very high	92.7	Very high	70 Å²	70	62.8 Å²	62.8	33%	0.327	30%	0.301	S	S	.	.			trans	-122.4	74.8	177.8	-66.2	-163.5	94.3	0	0	109.4	D98 A103 K104	D98-E101 HydrophobicContact CB-CB 4.48Å; D98-E101 CarbonylContact O-C 3.47Å; D98-E101 PolarHBondContact O-N 2.8Å; E101-A103 PolarHBondContact O-N 2.92Å; E101-K104 HydrophobicContact CB-CB 4.18Å; E101-K104 HydrophobicContact CB-CD 4.1Å; E101-K104 HydrophobicContact CB-CG 4.07Å; E101-K104 VanDerWaalsContact CD-CE 3.5Å; E101-K104 VanDerWaalsContact CD-NZ 3.32Å; E101-K104 PolarHBondContact O-N 2.7Å; E101-K104 VanDerWaalsContact OE1-CE 3.23Å; E101-K104 WeakPolarHBondContact OE1-CE 3.28Å; E101-K104 IonicContact OE1-NZ 3.13Å; E101-K104 PolarHBondContact OE1-NZ 3.14Å; E101-K104 VanDerWaalsContact OE1-NZ 3.13Å; E101-K104 VanDerWaalsContact OE2-CD 3.27Å; E101-K104 WeakPolarHBondContact OE2-CD 3.48Å; E101-K104 VanDerWaalsContact OE2-CE 3.27Å; E101-K104 WeakPolarHBondContact OE2-CE 3.16Å; E101-K104 IonicContact OE2-NZ 2.77Å; E101-K104 PolarHBondContact OE2-NZ 2.86Å
102	P	94.6	Very high	92.2	Very high	41 Å²	41	65 Å²	65	27%	0.266	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-21.2	-170.5	23.3	-33.8	0	0	0	114	F37 H96 K100 L105	F37-P102 HydrophobicContact CB-CG 4.29Å; F37-P102 HydrophobicContact CD1-CB 4.41Å; F37-P102 WeakPolarHBondContact CD1-O 3.46Å; H96-P102 PolarHBondContact CE1-O 2.87Å; H96-P102 PolarHBondContact ND1-O 3.37Å; K100-P102 WeakPolarHBondContact O-CD 3.49Å; P102-L105 VanDerWaalsContact O-CD2 3.29Å; P102-L105 WeakPolarHBondContact O-CD2 3.26Å
103	A	97.4	Very high	91.7	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-12.8	174.3	0	0	0	0	0	114.4	V33 Q34 F37 E101 L105 W119 V120	V33-A103 HydrophobicContact CB-CB 3.72Å; V33-A103 HydrophobicContact CG2-CB 3.77Å; Q34-A103 HydrophobicContact CB-CB 4.16Å; F37-A103 HydrophobicContact CB-CB 3.68Å; F37-A103 HydrophobicContact CD1-CB 4.24Å; F37-A103 HydrophobicContact CD2-CB 4.34Å; F37-A103 HydrophobicContact CG-CB 3.84Å; E101-A103 PolarHBondContact O-N 2.92Å; A103-L105 PolarHBondContact O-N 3.31Å; A103-W119 WeakPolarHBondContact O-CA 3.44Å; A103-V120 HydrophobicContact CB-CB 4.32Å; A103-V120 PolarHBondContact O-N 2.95Å
104	K	97.1	Very high	91.4	Very high	22 Å²	22	71 Å²	71	10%	0.096	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	85.4	171.5	-69.4	-170.4	-177.9	169.3	0	109.3	D30 V33 M97 E101 W119	D30-K104 IonicContact OD1-NZ 3.24Å; D30-K104 PolarHBondContact OD1-NZ 2.99Å; V33-K104 HydrophobicContact CG1-CG 3.86Å; V33-K104 HydrophobicContact CG2-CG 4.21Å; M97-K104 WeakPolarHBondContact CB-O 3.38Å; M97-K104 PolarHBondContact N-O 3.32Å; M97-K104 VanDerWaalsContact N-O 3.14Å; E101-K104 HydrophobicContact CB-CB 4.18Å; E101-K104 HydrophobicContact CB-CD 4.1Å; E101-K104 HydrophobicContact CB-CG 4.07Å; E101-K104 VanDerWaalsContact CD-CE 3.5Å; E101-K104 VanDerWaalsContact CD-NZ 3.32Å; E101-K104 PolarHBondContact O-N 2.7Å; E101-K104 VanDerWaalsContact OE1-CE 3.23Å; E101-K104 WeakPolarHBondContact OE1-CE 3.28Å; E101-K104 IonicContact OE1-NZ 3.13Å; E101-K104 PolarHBondContact OE1-NZ 3.14Å; E101-K104 VanDerWaalsContact OE1-NZ 3.13Å; E101-K104 VanDerWaalsContact OE2-CD 3.27Å; E101-K104 WeakPolarHBondContact OE2-CD 3.48Å; E101-K104 VanDerWaalsContact OE2-CE 3.27Å; E101-K104 WeakPolarHBondContact OE2-CE 3.16Å; E101-K104 IonicContact OE2-NZ 2.77Å; E101-K104 PolarHBondContact OE2-NZ 2.86Å; K104-W119 HydrophobicContact CB-CG 4.4Å; K104-W119 HydrophobicContact CD-CD2 4.13Å; K104-W119 HydrophobicContact CD-CH2 4.35Å; K104-W119 HydrophobicContact CD-CZ2 3.94Å; K104-W119 HydrophobicContact CG-CD2 3.95Å; K104-W119 HydrophobicContact CG-CG 3.93Å
105	L	96.3	Very high	91.4	Very high	1 Å²	1	74.2 Å²	74.2	1%	0.005	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	165.2	177.4	-51	170.6	0	0	0	110.5	F37 I39 V94 M95 H96 P102 A103 Y118 V120	F37-L105 HydrophobicContact CE1-CD1 4.2Å; F37-L105 HydrophobicContact CZ-CD1 4.35Å; I39-L105 HydrophobicContact CD1-CD1 4Å; V94-L105 HydrophobicContact CG1-CB 4.1Å; V94-L105 HydrophobicContact CG1-CD1 4Å; V94-L105 HydrophobicContact CG1-CD2 4.41Å; V94-L105 HydrophobicContact CG1-CG 4.4Å; M95-L105 CarbonylContact O-C 3.53Å; M95-L105 VanDerWaalsContact O-CA 3.3Å; M95-L105 WeakPolarHBondContact O-CA 3.19Å; H96-L105 WeakPolarHBondContact ND1-CD2 3.11Å; P102-L105 VanDerWaalsContact O-CD2 3.29Å; P102-L105 WeakPolarHBondContact O-CD2 3.26Å; A103-L105 PolarHBondContact O-N 3.31Å; L105-Y118 CarbonylContact C-O 3.49Å; L105-Y118 WeakPolarHBondContact CA-O 3.38Å; L105-Y118 HydrophobicContact CB-CD1 4.3Å; L105-Y118 VanDerWaalsContact CB-O 3.23Å; L105-Y118 WeakPolarHBondContact CB-O 3.35Å; L105-Y118 HydrophobicContact CD1-CD1 4.12Å; L105-Y118 PolarHBondContact N-O 2.94Å; L105-Y118 CarbonylContact O-C 3.56Å; L105-Y118 PolarHBondContact O-N 2.81Å; L105-V120 HydrophobicContact CD1-CG2 4.41Å
106	G	96.1	Very high	91.5	Very high	0 Å²	0	72.9 Å²	72.9	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	138.5	167.7	0	0	0	0	0	109.2	V94 M95 A116	V94-G106 CarbonylContact C-O 3.6Å; V94-G106 WeakPolarHBondContact CA-O 3.29Å; M95-G106 PolarHBondContact N-O 2.83Å; M95-G106 PolarHBondContact O-N 3.35Å; G106-A116 CarbonylContact C-O 3.55Å; G106-A116 VanDerWaalsContact CA-O 3.31Å; G106-A116 WeakPolarHBondContact CA-O 3.43Å
107	I	95.4	Very high	91.8	Very high	12 Å²	12	70.9 Å²	70.9	6%	0.062	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	136.5	175.1	-62.3	-168.4	0	0	0	110.5	V76 E93 V94 F109 Y115 A116 Y118	V76-I107 HydrophobicContact CG1-CG2 4.16Å; E93-I107 WeakPolarHBondContact O-CA 3.41Å; V94-I107 HydrophobicContact CG2-CD1 4.06Å; V94-I107 HydrophobicContact CG2-CG1 3.98Å; I107-F109 HydrophobicContact CG2-CD2 4.23Å; I107-F109 HydrophobicContact CG2-CE1 4.32Å; I107-F109 HydrophobicContact CG2-CE2 3.65Å; I107-F109 HydrophobicContact CG2-CZ 3.7Å; I107-Y115 WeakPolarHBondContact O-CA 3.45Å; I107-A116 PolarHBondContact N-O 2.9Å; I107-A116 PolarHBondContact O-N 2.94Å; I107-Y118 HydrophobicContact CD1-CD1 4.07Å; I107-Y118 HydrophobicContact CD1-CD2 3.19Å; I107-Y118 HydrophobicContact CD1-CE1 4.45Å; I107-Y118 HydrophobicContact CD1-CE2 3.62Å; I107-Y118 HydrophobicContact CD1-CG 3.43Å; I107-Y118 VanDerWaalsContact CD1-CG 3.43Å; I107-Y118 HydrophobicContact CG1-CD2 4Å; I107-Y118 HydrophobicContact CG1-CG 3.84Å
108	S	94.6	Very high	92.2	Very high	8 Å²	8	67 Å²	67	6%	0.056	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	135.5	168.6	-171.2	0	0	0	0	111	G92 E93 N110 T113	G92-S108 CarbonylContact C-O 3.59Å; G92-S108 WeakPolarHBondContact CA-O 3.46Å; E93-S108 PolarHBondContact N-O 3.5Å; E93-S108 PolarHBondContact O-N 3.29Å; S108-N110 PolarHBondContact OG-N 2.92Å; S108-N110 PolarHBondContact OG-O 3.29Å; S108-T113 PolarHBondContact OG-O 3.33Å; S108-T113 PolarHBondContact OG-OG1 3.32Å; S108-T113 VanDerWaalsContact OG-OG1 3.07Å
109	F	91.6	Very high	92.7	Very high	85 Å²	85	66 Å²	66	37%	0.373	33%	0.327	S	S	.	.	S	Bend	trans	-98.7	1.2	174.5	-64.2	-76.8	0	0	0	112.5	V76 N78 I90 I107	V76-F109 HydrophobicContact CG1-CE1 4.12Å; N78-F109 VanDerWaalsContact ND2-CE1 3.25Å; N78-F109 WeakPolarHBondContact ND2-CE1 3.1Å; N78-F109 WeakPolarHBondContact ND2-CZ 3.42Å; I90-F109 HydrophobicContact CD1-CB 3.82Å; I90-F109 HydrophobicContact CD1-CD1 3.97Å; I90-F109 HydrophobicContact CD1-CG 4Å; I90-F109 HydrophobicContact CG1-CB 4.31Å; I90-F109 HydrophobicContact CG1-CD1 3.87Å; I90-F109 HydrophobicContact CG1-CG 4.38Å; I90-F109 HydrophobicContact CG2-CD1 4.1Å; I90-F109 HydrophobicContact CG2-CE1 4.1Å; I107-F109 HydrophobicContact CG2-CD2 4.23Å; I107-F109 HydrophobicContact CG2-CE1 4.32Å; I107-F109 HydrophobicContact CG2-CE2 3.65Å; I107-F109 HydrophobicContact CG2-CZ 3.7Å
110	N	88.6	Confident	93.3	Very high	70 Å²	70	59.6 Å²	59.6	37%	0.374	29%	0.289	S	S	.	.	S	Bend	trans	-153	145.3	177.7	-142	-14.2	0	0	0	111.9	S108 F112 T113	S108-N110 PolarHBondContact OG-N 2.92Å; S108-N110 PolarHBondContact OG-O 3.29Å; N110-F112 HydrophobicContact CB-CD1 4.49Å; N110-F112 HydrophobicContact CB-CE1 4.27Å; N110-F112 HydrophobicContact CB-CZ 4.45Å; N110-F112 WeakPolarHBondContact ND2-CE1 3.04Å; N110-F112 WeakPolarHBondContact ND2-CZ 3.3Å; N110-F112 PolarHBondContact O-N 3.19Å; N110-F112 WeakPolarHBondContact OD1-CE1 3.32Å; N110-T113 HydrophobicContact CB-CG2 4.23Å; N110-T113 PolarHBondContact O-N 2.86Å; N110-T113 PolarHBondContact O-OG1 2.92Å
111	W	83	Confident	93.7	Very high	234 Å²	234	51.3 Å²	51.3	89%	0.886	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-19.4	-172.3	65.3	-81.2	0	0	0	114.4
112	F	85.9	Confident	93.9	Very high	139 Å²	139	48.9 Å²	48.9	61%	0.61	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.2	-2.9	179.6	61.8	-97.7	0	0	0	113.9	N110	N110-F112 HydrophobicContact CB-CD1 4.49Å; N110-F112 HydrophobicContact CB-CE1 4.27Å; N110-F112 HydrophobicContact CB-CZ 4.45Å; N110-F112 WeakPolarHBondContact ND2-CE1 3.04Å; N110-F112 WeakPolarHBondContact ND2-CZ 3.3Å; N110-F112 PolarHBondContact O-N 3.19Å; N110-F112 WeakPolarHBondContact OD1-CE1 3.32Å
113	T	85.6	Confident	94.1	Very high	57 Å²	57	47.1 Å²	47.1	35%	0.35	23%	0.232	S	C	.	.	S	Bend	trans	-94.3	141	175.6	50.3	0	0	0	0	110.4	S108 N110	S108-T113 PolarHBondContact OG-O 3.33Å; S108-T113 PolarHBondContact OG-OG1 3.32Å; S108-T113 VanDerWaalsContact OG-OG1 3.07Å; N110-T113 HydrophobicContact CB-CG2 4.23Å; N110-T113 PolarHBondContact O-N 2.86Å; N110-T113 PolarHBondContact O-OG1 2.92Å
114	P	89.6	Confident	94.1	Very high	116 Å²	116	49.6 Å²	49.6	75%	0.753	25%	0.246	S	C	*	.	P	Polyproline II helix	trans	-61.9	152.6	172.2	28.5	-34.4	0	0	0	110.2	A116	P114-A116 PolarHBondContact O-N 2.87Å
115	Y	93.4	Very high	94.2	Very high	72 Å²	72	50.2 Å²	50.2	28%	0.282	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-65.6	128.2	174.1	-73.3	-93.3	0	0	0	110.2	E93 M95 I107	E93-Y115 PolarHBondContact OE1-OH 2.97Å; M95-Y115 HydrophobicContact CB-CE1 4.33Å; M95-Y115 HydrophobicContact CG-CD1 3.63Å; M95-Y115 HydrophobicContact CG-CD2 4.42Å; M95-Y115 HydrophobicContact CG-CE1 3.62Å; M95-Y115 HydrophobicContact CG-CE2 4.41Å; M95-Y115 HydrophobicContact CG-CG 4.05Å; M95-Y115 HydrophobicContact SD-CD1 3.84Å; M95-Y115 HydrophobicContact SD-CD2 3.51Å; M95-Y115 VanDerWaalsContact SD-CD2 3.51Å; M95-Y115 HydrophobicContact SD-CE1 3.79Å; M95-Y115 HydrophobicContact SD-CE2 3.45Å; M95-Y115 WeakPolarHBondContact SD-CE2 3.44Å; M95-Y115 HydrophobicContact SD-CG 3.7Å; M95-Y115 VanDerWaalsContact SD-CZ 3.59Å; I107-Y115 WeakPolarHBondContact O-CA 3.45Å
116	A	94.5	Very high	94.3	Very high	44 Å²	44	57.3 Å²	57.3	36%	0.364	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	139.6	169.2	0	0	0	0	0	109.4	G106 I107 P114 Y118	G106-A116 CarbonylContact C-O 3.55Å; G106-A116 VanDerWaalsContact CA-O 3.31Å; G106-A116 WeakPolarHBondContact CA-O 3.43Å; I107-A116 PolarHBondContact N-O 2.9Å; I107-A116 PolarHBondContact O-N 2.94Å; P114-A116 PolarHBondContact O-N 2.87Å; A116-Y118 PolarHBondContact O-N 2.85Å
117	P	96.8	Very high	94.4	Very high	34 Å²	34	61.9 Å²	61.9	22%	0.221	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56	136	173.1	-27.2	37.8	0	0	0	111.6	S133	P117-S133 WeakPolarHBondContact O-CB 3.25Å; P117-S133 PolarHBondContact O-OG 2.79Å
118	Y	97.5	Very high	94.6	Very high	17 Å²	17	63.7 Å²	63.7	7%	0.067	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	94.6	173.2	-175.3	-81.1	0	0	0	107.5	Y42 Y66 L105 I107 A116 V120 V131	Y42-Y118 HydrophobicContact CE1-CE1 4.5Å; Y42-Y118 PolarHBondContact OH-OH 3.03Å; Y66-Y118 VanDerWaalsContact OH-CZ 3.24Å; Y66-Y118 PolarHBondContact OH-OH 2.65Å; L105-Y118 CarbonylContact C-O 3.49Å; L105-Y118 WeakPolarHBondContact CA-O 3.38Å; L105-Y118 HydrophobicContact CB-CD1 4.3Å; L105-Y118 VanDerWaalsContact CB-O 3.23Å; L105-Y118 WeakPolarHBondContact CB-O 3.35Å; L105-Y118 HydrophobicContact CD1-CD1 4.12Å; L105-Y118 PolarHBondContact N-O 2.94Å; L105-Y118 CarbonylContact O-C 3.56Å; L105-Y118 PolarHBondContact O-N 2.81Å; I107-Y118 HydrophobicContact CD1-CD1 4.07Å; I107-Y118 HydrophobicContact CD1-CD2 3.19Å; I107-Y118 HydrophobicContact CD1-CE1 4.45Å; I107-Y118 HydrophobicContact CD1-CE2 3.62Å; I107-Y118 HydrophobicContact CD1-CG 3.43Å; I107-Y118 VanDerWaalsContact CD1-CG 3.43Å; I107-Y118 HydrophobicContact CG1-CD2 4Å; I107-Y118 HydrophobicContact CG1-CG 3.84Å; A116-Y118 PolarHBondContact O-N 2.85Å; Y118-V120 HydrophobicContact CD1-CG2 4.46Å; Y118-V120 HydrophobicContact CE1-CG2 4.1Å; Y118-V131 HydrophobicContact CD1-CG1 3.96Å; Y118-V131 HydrophobicContact CD2-CG1 3.68Å; Y118-V131 HydrophobicContact CE1-CG1 3.68Å; Y118-V131 HydrophobicContact CE1-CG2 3.97Å; Y118-V131 HydrophobicContact CE2-CB 4.48Å; Y118-V131 HydrophobicContact CE2-CG1 3.43Å; Y118-V131 VanDerWaalsContact CE2-CG1 3.43Å; Y118-V131 HydrophobicContact CE2-CG2 4.47Å; Y118-V131 HydrophobicContact CG-CG1 3.96Å; Y118-V131 VanDerWaalsContact CZ-CG1 3.4Å; Y118-V131 WeakPolarHBondContact OH-CG2 3.46Å
119	W	98.2	Very high	94.8	Very high	47 Å²	47	63.3 Å²	63.3	18%	0.178	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	120.6	-172.2	-62.9	-0.6	0	0	0	109.5	D30 P31 V33 A103 K104 I121 V131 Y132	D30-W119 VanDerWaalsContact OD1-CH2 3.29Å; D30-W119 WeakPolarHBondContact OD1-CH2 3.31Å; D30-W119 WeakPolarHBondContact OD1-CZ3 3.41Å; P31-W119 HydrophobicContact CG-CE3 4.42Å; V33-W119 HydrophobicContact CG1-CB 4.01Å; V33-W119 HydrophobicContact CG1-CE3 4.33Å; V33-W119 HydrophobicContact CG1-CG 4.44Å; A103-W119 WeakPolarHBondContact O-CA 3.44Å; K104-W119 HydrophobicContact CB-CG 4.4Å; K104-W119 HydrophobicContact CD-CD2 4.13Å; K104-W119 HydrophobicContact CD-CH2 4.35Å; K104-W119 HydrophobicContact CD-CZ2 3.94Å; K104-W119 HydrophobicContact CG-CD2 3.95Å; K104-W119 HydrophobicContact CG-CG 3.93Å; W119-I121 HydrophobicContact CB-CD1 4.2Å; W119-I121 PolarHBondContact O-N 3.25Å; W119-V131 CarbonylContact O-C 3.6Å; W119-V131 VanDerWaalsContact O-CA 3.31Å; W119-V131 WeakPolarHBondContact O-CA 3.16Å; W119-Y132 WeakPolarHBondContact CB-O 3.35Å; W119-Y132 HydrophobicContact CE3-CD1 4.39Å; W119-Y132 PolarHBondContact N-O 2.88Å; W119-Y132 PolarHBondContact O-N 3.13Å
120	V	98.6	Very high	95.1	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	102	172.4	-176.6	0	0	0	0	107.6	V33 Q34 F37 Y42 A103 L105 Y118 T123	V33-V120 WeakPolarHBondContact CB-O 3.43Å; Q34-V120 HydrophobicContact CB-CG1 4.24Å; Q34-V120 WeakPolarHBondContact CB-O 3.47Å; Q34-V120 PolarHBondContact N-O 3.14Å; F37-V120 HydrophobicContact CD2-CB 4.29Å; F37-V120 HydrophobicContact CD2-CG1 4.19Å; F37-V120 HydrophobicContact CE2-CB 3.99Å; F37-V120 HydrophobicContact CE2-CG1 3.89Å; F37-V120 HydrophobicContact CE2-CG2 3.87Å; F37-V120 HydrophobicContact CZ-CG2 3.96Å; Y42-V120 HydrophobicContact CE1-CG2 4.42Å; Y42-V120 HydrophobicContact CE2-CG1 4.17Å; Y42-V120 HydrophobicContact CE2-CG2 4.22Å; A103-V120 HydrophobicContact CB-CB 4.32Å; A103-V120 PolarHBondContact O-N 2.95Å; L105-V120 HydrophobicContact CD1-CG2 4.41Å; Y118-V120 HydrophobicContact CD1-CG2 4.46Å; Y118-V120 HydrophobicContact CE1-CG2 4.1Å; V120-T123 HydrophobicContact CG1-CG2 3.61Å
121	I	98.6	Very high	95.6	Very high	8 Å²	8	55.9 Å²	55.9	4%	0.041	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	-44.5	-178.6	-58.1	-51.3	0	0	0	110.4	P31 V33 Q34 W119 L130 L166 Y170	P31-I121 HydrophobicContact CB-CD1 4.02Å; P31-I121 HydrophobicContact CG-CD1 3.46Å; P31-I121 VanDerWaalsContact CG-CD1 3.46Å; V33-I121 CarbonylContact C-O 3.54Å; V33-I121 HydrophobicContact CG1-CD1 4.16Å; Q34-I121 PolarHBondContact N-O 3.35Å; Q34-I121 VanDerWaalsContact N-O 3.13Å; W119-I121 HydrophobicContact CB-CD1 4.2Å; W119-I121 PolarHBondContact O-N 3.25Å; I121-L130 HydrophobicContact CB-CB 4.43Å; I121-L130 HydrophobicContact CB-CD2 4.03Å; I121-L130 HydrophobicContact CB-CG 4.05Å; I121-L130 HydrophobicContact CG2-CD2 3.91Å; I121-L130 HydrophobicContact CG2-CG 4.49Å; I121-L130 PolarHBondContact N-O 3.39Å; I121-L166 HydrophobicContact CG2-CD2 4.32Å; I121-Y170 HydrophobicContact CG2-CD2 4.38Å; I121-Y170 HydrophobicContact CG2-CE2 3.85Å
122	S	98.7	Very high	96.3	Very high	19 Å²	19	44.8 Å²	44.8	13%	0.133	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	137.5	-179.9	-176.2	0	0	0	0	110.2	Y128 S129 L130	S122-Y128 PolarHBondContact OG-OH 2.91Å; S122-Y128 VanDerWaalsContact OG-OH 3.11Å; S122-S129 CarbonylContact O-C 3.46Å; S122-S129 WeakPolarHBondContact O-CA 3.31Å; S122-L130 PolarHBondContact N-O 3.36Å; S122-L130 PolarHBondContact O-N 2.82Å
123	T	98.8	Very high	96.9	Very high	4 Å²	4	38.4 Å²	38.4	3%	0.025	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	144.7	173.6	-177.6	0	0	0	0	109.9	Q34 F37 Y42 V120 Y125 Y128	Q34-T123 HydrophobicContact CG-CG2 4.02Å; Q34-T123 PolarHBondContact OE1-O 2.97Å; F37-T123 HydrophobicContact CD2-CG2 4.19Å; F37-T123 HydrophobicContact CE2-CG2 4.11Å; Y42-T123 HydrophobicContact CD2-CG2 4.14Å; Y42-T123 HydrophobicContact CE2-CG2 4.19Å; V120-T123 HydrophobicContact CG1-CG2 3.61Å; T123-Y125 HydrophobicContact CG2-CD1 4Å; T123-Y125 HydrophobicContact CG2-CE1 3.77Å; T123-Y125 PolarHBondContact OG1-N 3.39Å; T123-Y128 WeakPolarHBondContact CA-O 3.34Å; T123-Y128 WeakPolarHBondContact CB-O 3.27Å; T123-Y128 PolarHBondContact OG1-O 3.44Å
124	D	98.4	Very high	97.4	Very high	53 Å²	53	36.4 Å²	36.4	28%	0.283	19%	0.192	S	C	.	.			trans	-98	7.3	166.4	68.9	-5.9	0	0	0	112.5	E126 N127 Y128	D124-E126 PolarHBondContact O-N 3.46Å; D124-E126 PolarHBondContact OD1-N 3.21Å; D124-N127 WeakPolarHBondContact OD1-CA 3.25Å; D124-N127 PolarHBondContact OD1-N 2.95Å; D124-N127 VanDerWaalsContact OD2-CB 3.28Å; D124-N127 WeakPolarHBondContact OD2-CB 3.43Å; D124-N127 PolarHBondContact OD2-ND2 3.15Å; D124-Y128 HydrophobicContact CB-CD1 4.14Å; D124-Y128 HydrophobicContact CB-CE1 3.69Å; D124-Y128 VanDerWaalsContact CG-CD1 3.43Å; D124-Y128 VanDerWaalsContact CG-CE1 3.5Å; D124-Y128 PolarHBondContact N-O 3.13Å; D124-Y128 WeakPolarHBondContact OD1-CD1 3.27Å; D124-Y128 PolarHBondContact OD1-N 3.46Å; D124-Y128 WeakPolarHBondContact OD2-CD1 3.4Å
125	Y	98.7	Very high	97.6	Very high	35 Å²	35	34 Å²	34	14%	0.137	18%	0.175	C	C	.	.	S	Bend	trans	65.5	-27.3	-177.2	-48.3	-80.3	0	0	0	116.1	F37 D38 K41 Y42 T123 R151	F37-Y125 WeakPolarHBondContact CA-OH 3.32Å; F37-Y125 HydrophobicContact CD2-CE1 4Å; F37-Y125 HydrophobicContact CE2-CE1 4.1Å; D38-Y125 PolarHBondContact N-OH 2.88Å; D38-Y125 WeakPolarHBondContact O-CE1 3.3Å; K41-Y125 HydrophobicContact CB-CD1 3.58Å; K41-Y125 HydrophobicContact CB-CE1 4.19Å; K41-Y125 HydrophobicContact CB-CG 3.77Å; K41-Y125 HydrophobicContact CD-CD2 4.34Å; K41-Y125 HydrophobicContact CD-CG 4.39Å; Y42-Y125 HydrophobicContact CD2-CD1 4.39Å; T123-Y125 HydrophobicContact CG2-CD1 4Å; T123-Y125 HydrophobicContact CG2-CE1 3.77Å; T123-Y125 PolarHBondContact OG1-N 3.39Å; Y125-R151 PolarHBondContact O-NE 2.76Å; Y125-R151 PolarHBondContact O-NH2 3.32Å; Y125-R151 VanDerWaalsContact O-NH2 3.09Å
126	E	98.3	Very high	97.6	Very high	150 Å²	150	33.9 Å²	33.9	70%	0.701	18%	0.179	S	C	*	.	S	Bend	trans	-105.9	-24.7	-168.3	-65.1	-175.2	-178.4	0	0	113.5	D124 R151	D124-E126 PolarHBondContact O-N 3.46Å; D124-E126 PolarHBondContact OD1-N 3.21Å; E126-R151 VanDerWaalsContact C-CG 3.47Å; E126-R151 WeakPolarHBondContact O-CB 3.32Å; E126-R151 WeakPolarHBondContact O-CG 3.12Å
127	N	98.4	Very high	97.3	Very high	95 Å²	95	34.4 Å²	34.4	51%	0.508	18%	0.175	S	C	.	.	S	Bend	trans	-128.8	-46.2	-175.9	-51.9	-78.6	0	0	0	112.4	D124 S150 R151	D124-N127 WeakPolarHBondContact OD1-CA 3.25Å; D124-N127 PolarHBondContact OD1-N 2.95Å; D124-N127 VanDerWaalsContact OD2-CB 3.28Å; D124-N127 WeakPolarHBondContact OD2-CB 3.43Å; D124-N127 PolarHBondContact OD2-ND2 3.15Å; N127-S150 VanDerWaalsContact O-CA 3.26Å; N127-S150 WeakPolarHBondContact O-CA 3.35Å; N127-S150 PolarHBondContact O-OG 3.49Å; N127-R151 PolarHBondContact O-N 2.8Å; N127-R151 VanDerWaalsContact O-N 3.15Å
128	Y	98.7	Very high	96.7	Very high	50 Å²	50	39.4 Å²	39.4	20%	0.196	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	156.9	-174.3	77.2	-88.8	0	0	0	113.9	W46 S122 T123 D124 M149 L163	W46-Y128 WeakPolarHBondContact CH2-O 3.47Å; S122-Y128 PolarHBondContact OG-OH 2.91Å; S122-Y128 VanDerWaalsContact OG-OH 3.11Å; T123-Y128 WeakPolarHBondContact CA-O 3.34Å; T123-Y128 WeakPolarHBondContact CB-O 3.27Å; T123-Y128 PolarHBondContact OG1-O 3.44Å; D124-Y128 HydrophobicContact CB-CD1 4.14Å; D124-Y128 HydrophobicContact CB-CE1 3.69Å; D124-Y128 VanDerWaalsContact CG-CD1 3.43Å; D124-Y128 VanDerWaalsContact CG-CE1 3.5Å; D124-Y128 PolarHBondContact N-O 3.13Å; D124-Y128 WeakPolarHBondContact OD1-CD1 3.27Å; D124-Y128 PolarHBondContact OD1-N 3.46Å; D124-Y128 WeakPolarHBondContact OD2-CD1 3.4Å; Y128-M149 CarbonylContact C-O 3.52Å; Y128-M149 VanDerWaalsContact CA-O 3.29Å; Y128-M149 WeakPolarHBondContact CA-O 3.38Å; Y128-L163 HydrophobicContact CD2-CD1 3.78Å; Y128-L163 HydrophobicContact CD2-CD2 3.63Å; Y128-L163 HydrophobicContact CD2-CG 4.33Å; Y128-L163 HydrophobicContact CE2-CD2 3.56Å; Y128-L163 HydrophobicContact CG-CD1 4.15Å
129	S	98.8	Very high	95.7	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	132.5	163.3	-177.6	0	0	0	0	110.2	Y42 S122 M149	Y42-S129 VanDerWaalsContact CE2-OG 3.26Å; Y42-S129 WeakPolarHBondContact CE2-OG 3.41Å; Y42-S129 WeakPolarHBondContact OH-CB 3.26Å; Y42-S129 PolarHBondContact OH-OG 2.87Å; S122-S129 CarbonylContact O-C 3.46Å; S122-S129 WeakPolarHBondContact O-CA 3.31Å; S129-M149 PolarHBondContact N-O 2.86Å; S129-M149 PolarHBondContact O-N 2.94Å
130	L	98.9	Very high	95.2	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	119.3	171.2	178	65.1	0	0	0	108.7	I121 S122 I148 L163 L166 L167	I121-L130 HydrophobicContact CB-CB 4.43Å; I121-L130 HydrophobicContact CB-CD2 4.03Å; I121-L130 HydrophobicContact CB-CG 4.05Å; I121-L130 HydrophobicContact CG2-CD2 3.91Å; I121-L130 HydrophobicContact CG2-CG 4.49Å; I121-L130 PolarHBondContact N-O 3.39Å; S122-L130 PolarHBondContact N-O 3.36Å; S122-L130 PolarHBondContact O-N 2.82Å; L130-I148 HydrophobicContact CD1-CG1 3.79Å; L130-L163 HydrophobicContact CB-CD2 4.18Å; L130-L163 HydrophobicContact CD1-CB 4.45Å; L130-L163 HydrophobicContact CD2-CD2 4.43Å; L130-L166 HydrophobicContact CD2-CB 4.35Å; L130-L166 HydrophobicContact CD2-CD2 3.89Å; L130-L166 HydrophobicContact CD2-CG 4.26Å; L130-L167 HydrophobicContact CD1-CD1 3.86Å; L130-L167 HydrophobicContact CD1-CD2 4.05Å; L130-L167 HydrophobicContact CD1-CG 3.88Å; L130-L167 HydrophobicContact CD2-CD2 3.96Å; L130-L167 HydrophobicContact CD2-CG 3.96Å; L130-L167 HydrophobicContact CG-CD2 4.21Å; L130-L167 HydrophobicContact CG-CG 4.38Å
131	V	98.8	Very high	94.9	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	141.6	-174.1	178.5	0	0	0	0	109.6	Y118 W119 A146 W147 M149	Y118-V131 HydrophobicContact CD1-CG1 3.96Å; Y118-V131 HydrophobicContact CD2-CG1 3.68Å; Y118-V131 HydrophobicContact CE1-CG1 3.68Å; Y118-V131 HydrophobicContact CE1-CG2 3.97Å; Y118-V131 HydrophobicContact CE2-CB 4.48Å; Y118-V131 HydrophobicContact CE2-CG1 3.43Å; Y118-V131 VanDerWaalsContact CE2-CG1 3.43Å; Y118-V131 HydrophobicContact CE2-CG2 4.47Å; Y118-V131 HydrophobicContact CG-CG1 3.96Å; Y118-V131 VanDerWaalsContact CZ-CG1 3.4Å; Y118-V131 WeakPolarHBondContact OH-CG2 3.46Å; W119-V131 CarbonylContact O-C 3.6Å; W119-V131 VanDerWaalsContact O-CA 3.31Å; W119-V131 WeakPolarHBondContact O-CA 3.16Å; V131-A146 CarbonylContact O-C 3.52Å; V131-A146 WeakPolarHBondContact O-CA 3.49Å; V131-W147 HydrophobicContact CB-CB 4.31Å; V131-W147 HydrophobicContact CB-CE3 4.17Å; V131-W147 HydrophobicContact CG1-CE3 3.76Å; V131-W147 HydrophobicContact CG1-CZ3 4.22Å; V131-W147 PolarHBondContact N-O 3.07Å; V131-W147 PolarHBondContact O-N 3.19Å; V131-M149 HydrophobicContact CG2-SD 4.11Å
132	Y	98.4	Very high	94.7	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	141.1	176.4	-175.9	-118.6	0	0	0	111.3	P29 P31 W119 C134 N144 Y145 A146 I172	P29-Y132 WeakPolarHBondContact CD-OH 3.48Å; P31-Y132 HydrophobicContact CG-CD1 3.91Å; P31-Y132 HydrophobicContact CG-CE1 4.3Å; W119-Y132 WeakPolarHBondContact CB-O 3.35Å; W119-Y132 HydrophobicContact CE3-CD1 4.39Å; W119-Y132 PolarHBondContact N-O 2.88Å; W119-Y132 PolarHBondContact O-N 3.13Å; Y132-C134 HydrophobicContact CD1-CB 4.48Å; Y132-C134 HydrophobicContact CE1-CB 3.6Å; Y132-C134 WeakPolarHBondContact OH-CB 3.38Å; Y132-N144 HydrophobicContact CE2-CB 3.66Å; Y132-N144 WeakPolarHBondContact OH-CB 3.44Å; Y132-Y145 WeakPolarHBondContact CD2-O 3.31Å; Y132-A146 HydrophobicContact CD2-CB 4.3Å; Y132-I172 HydrophobicContact CD1-CD1 4.16Å; Y132-I172 HydrophobicContact CD2-CD1 3.74Å; Y132-I172 HydrophobicContact CD2-CG1 4.47Å; Y132-I172 HydrophobicContact CD2-CG2 4.33Å; Y132-I172 HydrophobicContact CE1-CD1 3.99Å; Y132-I172 HydrophobicContact CE2-CB 4.5Å; Y132-I172 HydrophobicContact CE2-CD1 3.55Å; Y132-I172 HydrophobicContact CE2-CG1 3.84Å; Y132-I172 HydrophobicContact CE2-CG2 3.83Å; Y132-I172 HydrophobicContact CG-CD1 4.04Å
133	S	97.1	Very high	94.4	Very high	6 Å²	6	55.1 Å²	55.1	4%	0.042	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	133.5	172	167.3	0	0	0	0	108.2	P117 N144 Y145	P117-S133 WeakPolarHBondContact O-CB 3.25Å; P117-S133 PolarHBondContact O-OG 2.79Å; S133-N144 CarbonylContact O-C 3.59Å; S133-N144 VanDerWaalsContact O-CA 3.22Å; S133-N144 WeakPolarHBondContact O-CA 3.45Å; S133-Y145 PolarHBondContact N-O 3Å; S133-Y145 PolarHBondContact O-N 3.4Å
134	C	96	Very high	94.2	Very high	14 Å²	14	55 Å²	55	10%	0.095	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	138.1	175.1	-171.1	0	0	0	0	112.1	C28 Y132 H142 V143 N144	C28-C134 WeakPolarHBondContact CA-SG 3.24Å; C28-C134 HydrophobicContact CB-CB 3.73Å; C28-C134 WeakPolarHBondContact CB-SG 3.31Å; C28-C134 WeakPolarHBondContact SG-CB 3.36Å; C28-C134 CovalentContact SG-SG 2.03Å; C28-C134 PolarHBondContact SG-SG 3.24Å; Y132-C134 HydrophobicContact CD1-CB 4.48Å; Y132-C134 HydrophobicContact CE1-CB 3.6Å; Y132-C134 WeakPolarHBondContact OH-CB 3.38Å; C134-H142 PolarHBondContact SG-CD2 2.79Å; C134-V143 WeakPolarHBondContact CA-O 3.44Å; C134-V143 PolarHBondContact SG-O 2.8Å; C134-N144 HydrophobicContact CB-CB 4.17Å
135	T	93.6	Very high	94.2	Very high	66 Å²	66	54 Å²	54	41%	0.405	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	122.8	178.3	-58.7	0	0	0	0	109.9	C28 H142 V143	C28-T135 PolarHBondContact SG-N 2.67Å; C28-T135 VanDerWaalsContact SG-N 3.4Å; T135-H142 WeakPolarHBondContact O-CA 3.25Å; T135-H142 WeakPolarHBondContact O-CB 3.35Å; T135-V143 PolarHBondContact N-O 2.92Å; T135-V143 PolarHBondContact O-N 3.14Å
136	N	93.2	Very high	94.1	Very high	70 Å²	70	52.3 Å²	52.3	37%	0.374	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	137.8	170.4	-67.6	-53	0	0	0	110.2	P27 C28	P27-N136 WeakPolarHBondContact CA-OD1 3.32Å; C28-N136 PolarHBondContact N-OD1 2.96Å; C28-N136 PolarHBondContact SG-OD1 2.74Å
137	I	88.9	Confident	94.2	Very high	54 Å²	54	46.3 Å²	46.3	28%	0.277	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	116.1	176.9	-51.1	174.7	0	0	0	108.6	F23 W139 L140 F141 V143	F23-I137 HydrophobicContact CE1-CD1 4.31Å; I137-W139 PolarHBondContact O-N 2.85Å; I137-L140 PolarHBondContact O-N 3.46Å; I137-F141 HydrophobicContact CB-CD2 3.49Å; I137-F141 VanDerWaalsContact CB-CD2 3.49Å; I137-F141 HydrophobicContact CB-CE2 3.38Å; I137-F141 HydrophobicContact CB-CG 4.38Å; I137-F141 HydrophobicContact CB-CZ 4.18Å; I137-F141 HydrophobicContact CD1-CD2 4Å; I137-F141 HydrophobicContact CD1-CE2 4.04Å; I137-F141 HydrophobicContact CG1-CD2 4.23Å; I137-F141 HydrophobicContact CG1-CE2 4.3Å; I137-F141 HydrophobicContact CG2-CD2 3.85Å; I137-F141 HydrophobicContact CG2-CE2 3.15Å; I137-F141 HydrophobicContact CG2-CZ 3.68Å; I137-F141 PolarHBondContact N-O 3.19Å; I137-F141 PolarHBondContact O-N 2.77Å; I137-F141 VanDerWaalsContact O-O 3.13Å; I137-V143 HydrophobicContact CD1-CB 4.36Å; I137-V143 HydrophobicContact CD1-CG2 3.61Å
138	I	84.9	Confident	94.2	Very high	139 Å²	139	41.8 Å²	41.8	71%	0.713	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	31.3	176.9	-47.4	166.7	0	0	0	111.5	L140 F141	I138-L140 PolarHBondContact O-N 3.17Å; I138-F141 HydrophobicContact CD1-CZ 4.14Å
139	W	77	Confident	94.2	Very high	233 Å²	233	39.9 Å²	39.9	88%	0.883	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.6	1.9	178.3	-58	92.6	0	0	0	117.2	I137	I137-W139 PolarHBondContact O-N 2.85Å
140	L	87.1	Confident	94.2	Very high	115 Å²	115	40.2 Å²	40.2	60%	0.602	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.2	-32.2	-174.6	-179	63.3	0	0	0	112.5	G26 I137 I138	G26-L140 PolarHBondContact N-O 2.03Å; I137-L140 PolarHBondContact O-N 3.46Å; I138-L140 PolarHBondContact O-N 3.17Å
141	F	91.6	Very high	94.2	Very high	58 Å²	58	43.3 Å²	43.3	25%	0.254	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	161.7	-179.1	42	-81.5	0	0	0	109.7	H24 I137 I138	H24-F141 CarbonylContact O-C 3.57Å; H24-F141 WeakPolarHBondContact O-CA 3.45Å; H24-F141 VanDerWaalsContact O-CB 3.28Å; H24-F141 WeakPolarHBondContact O-CB 3.44Å; I137-F141 HydrophobicContact CB-CD2 3.49Å; I137-F141 VanDerWaalsContact CB-CD2 3.49Å; I137-F141 HydrophobicContact CB-CE2 3.38Å; I137-F141 HydrophobicContact CB-CG 4.38Å; I137-F141 HydrophobicContact CB-CZ 4.18Å; I137-F141 HydrophobicContact CD1-CD2 4Å; I137-F141 HydrophobicContact CD1-CE2 4.04Å; I137-F141 HydrophobicContact CG1-CD2 4.23Å; I137-F141 HydrophobicContact CG1-CE2 4.3Å; I137-F141 HydrophobicContact CG2-CD2 3.85Å; I137-F141 HydrophobicContact CG2-CE2 3.15Å; I137-F141 HydrophobicContact CG2-CZ 3.68Å; I137-F141 PolarHBondContact N-O 3.19Å; I137-F141 PolarHBondContact O-N 2.77Å; I137-F141 VanDerWaalsContact O-O 3.13Å; I138-F141 HydrophobicContact CD1-CZ 4.14Å
142	H	93.8	Very high	94.1	Very high	10 Å²	10	45.5 Å²	45.5	5%	0.046	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	160.4	171.6	68.9	-92.2	0	0	0	111.1	H24 G26 P27 C134 T135	H24-H142 WeakPolarHBondContact CB-CE1 3.21Å; H24-H142 VanDerWaalsContact CB-NE2 3.35Å; H24-H142 WeakPolarHBondContact CB-NE2 3.46Å; H24-H142 AromaticContact CD2-NE2 3.68Å; H24-H142 AromaticContact CG-NE2 3.74Å; H24-H142 PolarHBondContact N-O 2.91Å; H24-H142 PolarHBondContact O-N 2.87Å; G26-H142 PolarHBondContact O-ND1 2.97Å; P27-H142 PolarHBondContact O-CE1 3.3Å; P27-H142 PolarHBondContact O-ND1 3.33Å; C134-H142 PolarHBondContact SG-CD2 2.79Å; T135-H142 WeakPolarHBondContact O-CA 3.25Å; T135-H142 WeakPolarHBondContact O-CB 3.35Å
143	V	93.6	Very high	94	Very high	6 Å²	6	48.2 Å²	48.2	4%	0.036	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	135.9	167.4	165.4	0	0	0	0	106.9	Q21 F23 C134 T135 I137 Y145	Q21-V143 HydrophobicContact CG-CG1 3.75Å; Q21-V143 HydrophobicContact CG-CG2 4.26Å; F23-V143 HydrophobicContact CD1-CG2 3.72Å; F23-V143 HydrophobicContact CE1-CG2 3.62Å; F23-V143 HydrophobicContact CG-CG2 4.38Å; F23-V143 HydrophobicContact CZ-CG2 4.22Å; C134-V143 WeakPolarHBondContact CA-O 3.44Å; C134-V143 PolarHBondContact SG-O 2.8Å; T135-V143 PolarHBondContact N-O 2.92Å; T135-V143 PolarHBondContact O-N 3.14Å; I137-V143 HydrophobicContact CD1-CB 4.36Å; I137-V143 HydrophobicContact CD1-CG2 3.61Å; V143-Y145 HydrophobicContact CG1-CE1 4.28Å; V143-Y145 HydrophobicContact CG1-CE2 3.77Å
144	N	95.1	Very high	94	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.011	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	160	174.3	64.6	-2	0	0	0	112.5	T22 H24 Y132 S133 C134	T22-N144 PolarHBondContact OG1-O 3.33Å; T22-N144 PolarHBondContact OG1-OD1 2.98Å; H24-N144 PolarHBondContact CD2-OD1 3.19Å; H24-N144 PolarHBondContact NE2-ND2 3.46Å; H24-N144 PolarHBondContact NE2-OD1 2.89Å; Y132-N144 HydrophobicContact CE2-CB 3.66Å; Y132-N144 WeakPolarHBondContact OH-CB 3.44Å; S133-N144 CarbonylContact O-C 3.59Å; S133-N144 VanDerWaalsContact O-CA 3.22Å; S133-N144 WeakPolarHBondContact O-CA 3.45Å; C134-N144 HydrophobicContact CB-CB 4.17Å
145	Y	96.9	Very high	94	Very high	30 Å²	30	55.6 Å²	55.6	12%	0.118	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	150.6	171.1	-50.8	-80.1	0	0	0	107.5	Q21 F56 Y132 S133 V143 W147	Q21-Y145 PolarHBondContact NE2-OH 2.95Å; F56-Y145 HydrophobicContact CE1-CD1 4.3Å; F56-Y145 AromaticContact CE1-CE1 3.77Å; F56-Y145 HydrophobicContact CE1-CE1 3.77Å; F56-Y145 HydrophobicContact CE1-CE2 4.23Å; F56-Y145 AromaticContact CE1-CZ 3.72Å; F56-Y145 HydrophobicContact CZ-CD1 4.34Å; F56-Y145 HydrophobicContact CZ-CE1 4.27Å; Y132-Y145 WeakPolarHBondContact CD2-O 3.31Å; S133-Y145 PolarHBondContact N-O 3Å; S133-Y145 PolarHBondContact O-N 3.4Å; V143-Y145 HydrophobicContact CG1-CE1 4.28Å; V143-Y145 HydrophobicContact CG1-CE2 3.77Å; Y145-W147 HydrophobicContact CD2-CH2 4.35Å; Y145-W147 AromaticContact CG-CH2 3.98Å; Y145-W147 HydrophobicContact CG-CH2 3.98Å; Y145-W147 HydrophobicContact CG-CZ2 4.28Å
146	A	98.1	Very high	94.2	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	148	172.7	0	0	0	0	0	108.3	K51 L52 V131 Y132 L167	K51-A146 CarbonylContact C-O 3.34Å; K51-A146 WeakPolarHBondContact CA-O 3.48Å; K51-A146 WeakPolarHBondContact CB-O 3.49Å; L52-A146 HydrophobicContact CD1-CB 3.8Å; L52-A146 HydrophobicContact CG-CB 4.05Å; L52-A146 PolarHBondContact N-O 3.33Å; V131-A146 CarbonylContact O-C 3.52Å; V131-A146 WeakPolarHBondContact O-CA 3.49Å; Y132-A146 HydrophobicContact CD2-CB 4.3Å; A146-L167 HydrophobicContact CB-CD1 3.82Å
147	W	98.7	Very high	94.4	Very high	25 Å²	25	58.7 Å²	58.7	10%	0.095	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	131.4	178.3	-59.6	-93.8	0	0	0	109.3	E48 E50 K51 F56 V131 Y145 M149	E48-W147 PolarHBondContact OE2-NE1 2.8Å; E50-W147 CarbonylContact O-C 3.42Å; E50-W147 WeakPolarHBondContact O-CA 3.19Å; K51-W147 HydrophobicContact CB-CG 4.33Å; F56-W147 HydrophobicContact CE2-CZ2 4.33Å; F56-W147 AromaticContact CZ-CZ2 3.99Å; F56-W147 HydrophobicContact CZ-CZ2 3.99Å; V131-W147 HydrophobicContact CB-CB 4.31Å; V131-W147 HydrophobicContact CB-CE3 4.17Å; V131-W147 HydrophobicContact CG1-CE3 3.76Å; V131-W147 HydrophobicContact CG1-CZ3 4.22Å; V131-W147 PolarHBondContact N-O 3.07Å; V131-W147 PolarHBondContact O-N 3.19Å; Y145-W147 HydrophobicContact CD2-CH2 4.35Å; Y145-W147 AromaticContact CG-CH2 3.98Å; Y145-W147 HydrophobicContact CG-CH2 3.98Å; Y145-W147 HydrophobicContact CG-CZ2 4.28Å; W147-M149 HydrophobicContact CB-CG 4.07Å
148	I	98.8	Very high	94.8	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	119.7	162.8	-67.5	167.9	0	0	0	106	I49 E50 L130 M155 V160 L163 K164 M177	I49-I148 HydrophobicContact CB-CG2 4.28Å; I49-I148 WeakPolarHBondContact CB-O 2.94Å; I49-I148 PolarHBondContact N-O 2.84Å; E50-I148 HydrophobicContact CB-CB 4.35Å; E50-I148 HydrophobicContact CB-CD1 4.45Å; E50-I148 PolarHBondContact N-O 2.94Å; E50-I148 PolarHBondContact O-N 3.19Å; L130-I148 HydrophobicContact CD1-CG1 3.79Å; I148-M155 HydrophobicContact CG2-CE 4.06Å; I148-M155 HydrophobicContact CG2-SD 3.86Å; I148-V160 HydrophobicContact CD1-CG1 3.99Å; I148-L163 HydrophobicContact CD1-CB 3.92Å; I148-L163 HydrophobicContact CG1-CB 4.13Å; I148-L163 HydrophobicContact CG1-CD1 4.32Å; I148-L163 HydrophobicContact CG2-CD1 3.72Å; I148-K164 HydrophobicContact CD1-CG 3.95Å; I148-M177 HydrophobicContact CD1-CE 3.72Å; I148-M177 HydrophobicContact CG1-CE 3.93Å
149	M	98.8	Very high	95.4	Very high	10 Å²	10	57.7 Å²	57.7	5%	0.049	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	154.1	-177.1	-47.6	-173.8	83.2	0	0	110.8	W46 Y47 A64 Y128 S129 V131 W147 M155	W46-M149 HydrophobicContact CB-CB 4.22Å; W46-M149 HydrophobicContact CB-CE 3.65Å; W46-M149 HydrophobicContact CB-SD 4.28Å; W46-M149 HydrophobicContact CD2-CB 4.48Å; W46-M149 HydrophobicContact CE3-CB 3.95Å; Y47-M149 CarbonylContact O-C 3.52Å; Y47-M149 WeakPolarHBondContact O-CA 3.47Å; A64-M149 HydrophobicContact CB-CE 3.8Å; Y128-M149 CarbonylContact C-O 3.52Å; Y128-M149 VanDerWaalsContact CA-O 3.29Å; Y128-M149 WeakPolarHBondContact CA-O 3.38Å; S129-M149 PolarHBondContact N-O 2.86Å; S129-M149 PolarHBondContact O-N 2.94Å; V131-M149 HydrophobicContact CG2-SD 4.11Å; W147-M149 HydrophobicContact CB-CG 4.07Å; M149-M155 WeakPolarHBondContact O-CE 3.3Å
150	S	98.7	Very high	96.4	Very high	6 Å²	6	47 Å²	47	4%	0.042	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	154.8	-178.6	-174.9	0	0	0	0	112.3	W46 Y47 I49 N127 A152 E154	W46-S150 CarbonylContact C-O 3.57Å; W46-S150 WeakPolarHBondContact CA-O 3.22Å; W46-S150 VanDerWaalsContact CE3-C 3.46Å; Y47-S150 PolarHBondContact N-O 3.27Å; Y47-S150 PolarHBondContact O-N 3.48Å; I49-S150 VanDerWaalsContact CG1-CB 3.48Å; N127-S150 VanDerWaalsContact O-CA 3.26Å; N127-S150 WeakPolarHBondContact O-CA 3.35Å; N127-S150 PolarHBondContact O-OG 3.49Å; S150-A152 VanDerWaalsContact C-N 3.25Å; S150-A152 WeakPolarHBondContact CB-O 3.41Å; S150-A152 PolarHBondContact OG-N 2.82Å; S150-A152 VanDerWaalsContact OG-N 3.07Å; S150-A152 PolarHBondContact OG-O 3.28Å; S150-E154 PolarHBondContact OG-O 3.03Å
151	R	98.3	Very high	97	Very high	66 Å²	66	45.8 Å²	45.8	25%	0.249	24%	0.237	C	C	.	.	S	Bend	trans	-75.7	-15.5	166.7	-68.1	-55	-164.7	166.5	3.8	113.2	K41 L43 K45 W46 Y47 Y125 E126 N127	K41-R151 PolarHBondContact O-NH2 2.79Å; L43-R151 PolarHBondContact O-NH1 2.87Å; L43-R151 PolarHBondContact O-NH2 3.4Å; K45-R151 VanDerWaalsContact O-CD 3.29Å; K45-R151 WeakPolarHBondContact O-CD 3.47Å; K45-R151 PolarHBondContact O-NH1 3.19Å; W46-R151 VanDerWaalsContact CE2-CZ 3.41Å; W46-R151 HydrophobicContact CE3-CG 4.32Å; W46-R151 HydrophobicContact CH2-CG 4.05Å; W46-R151 VanDerWaalsContact CZ2-CZ 3.48Å; W46-R151 HydrophobicContact CZ3-CG 3.91Å; Y47-R151 WeakPolarHBondContact CE2-O 3.34Å; Y125-R151 PolarHBondContact O-NE 2.76Å; Y125-R151 PolarHBondContact O-NH2 3.32Å; Y125-R151 VanDerWaalsContact O-NH2 3.09Å; E126-R151 VanDerWaalsContact C-CG 3.47Å; E126-R151 WeakPolarHBondContact O-CB 3.32Å; E126-R151 WeakPolarHBondContact O-CG 3.12Å; N127-R151 PolarHBondContact O-N 2.8Å; N127-R151 VanDerWaalsContact O-N 3.15Å
152	A	97.7	Very high	97.3	Very high	45 Å²	45	47.6 Å²	47.6	37%	0.372	25%	0.249	S	C	.	.	S	Bend	trans	-115.7	157.8	176	0	0	0	0	0	110.7	S150 E154	S150-A152 VanDerWaalsContact C-N 3.25Å; S150-A152 WeakPolarHBondContact CB-O 3.41Å; S150-A152 PolarHBondContact OG-N 2.82Å; S150-A152 VanDerWaalsContact OG-N 3.07Å; S150-A152 PolarHBondContact OG-O 3.28Å; A152-E154 PolarHBondContact O-N 2.98Å; A152-E154 VanDerWaalsContact O-N 3.11Å
153	P	96.9	Very high	97.5	Very high	58 Å²	58	47.5 Å²	47.5	38%	0.377	25%	0.249	S	C	.	.	S	Bend	trans	-68.2	-8.1	178.1	29.1	-36.2	0	0	0	113.5	Y47 Q182	Y47-P153 HydrophobicContact CD1-CB 4.22Å; Y47-P153 HydrophobicContact CE1-CB 4.4Å; P153-Q182 HydrophobicContact CB-CB 4.02Å; P153-Q182 VanDerWaalsContact O-CB 3.22Å; P153-Q182 WeakPolarHBondContact O-CB 3.06Å; P153-Q182 WeakPolarHBondContact O-CG 3.44Å
154	E	95.4	Very high	97.8	Very high	139 Å²	139	49 Å²	49	65%	0.65	26%	0.255	S	S	*	.			trans	-128	157.4	178.2	-63.8	-179.8	-176.4	0	0	110	S150 A152	S150-E154 PolarHBondContact OG-O 3.03Å; A152-E154 PolarHBondContact O-N 2.98Å; A152-E154 VanDerWaalsContact O-N 3.11Å
155	M	97.1	Very high	97.9	Very high	35 Å²	35	51.9 Å²	51.9	17%	0.172	28%	0.275	C	S	.	.			trans	-143	144.9	175.4	-177.3	179.1	-72.7	0	0	109.1	I49 I148 M149 T159 V160 L163	I49-M155 HydrophobicContact CG1-CB 4.16Å; I49-M155 HydrophobicContact CG1-CE 4.41Å; I49-M155 HydrophobicContact CG2-CB 4.13Å; I148-M155 HydrophobicContact CG2-CE 4.06Å; I148-M155 HydrophobicContact CG2-SD 3.86Å; M149-M155 WeakPolarHBondContact O-CE 3.3Å; M155-T159 HydrophobicContact CG-CG2 4.12Å; M155-T159 HydrophobicContact SD-CG2 3.64Å; M155-V160 HydrophobicContact CB-CG2 4.15Å; M155-V160 HydrophobicContact CG-CG2 3.94Å; M155-V160 HydrophobicContact SD-CG2 3.66Å; M155-L163 HydrophobicContact SD-CD1 4.24Å
156	H	97.2	Very high	98	Very high	116 Å²	116	52.6 Å²	52.6	54%	0.537	28%	0.281	S	S	.	.			trans	-62.2	133.8	176.7	-166.8	-102	0	0	0	110.6	E158 T159 V160	H156-E158 IonicContact CE1-OE2 3.95Å; H156-E158 VanDerWaalsContact ND1-CB 3.31Å; H156-E158 WeakPolarHBondContact ND1-CB 3.29Å; H156-E158 PolarHBondContact ND1-N 2.9Å; H156-E158 IonicContact ND1-OE2 2.7Å; H156-E158 PolarHBondContact O-N 3.25Å; H156-T159 WeakPolarHBondContact O-CB 3.32Å; H156-T159 PolarHBondContact O-N 2.82Å; H156-V160 PolarHBondContact O-N 2.87Å
157	P	97	Very high	98	Very high	86 Å²	86	52.6 Å²	52.6	56%	0.558	28%	0.281	S	S	*	.	H	α-helix	trans	-55.9	-37.3	-176.2	-28.3	35.4	0	0	0	113.8	T159 V160 D161	P157-T159 VanDerWaalsContact C-N 3.3Å; P157-T159 PolarHBondContact O-N 3.44Å; P157-V160 WeakPolarHBondContact O-CB 3.45Å; P157-V160 PolarHBondContact O-N 2.91Å; P157-V160 VanDerWaalsContact O-N 3.13Å; P157-D161 PolarHBondContact O-N 2.72Å
158	E	97.9	Very high	98	Very high	121 Å²	121	56.5 Å²	56.5	57%	0.565	30%	0.3	S	S	*	.	H	α-helix	trans	-60.8	-37.9	177.3	-170.2	-178.3	178	0	0	112.5	H156 D161 N162	H156-E158 IonicContact CE1-OE2 3.95Å; H156-E158 VanDerWaalsContact ND1-CB 3.31Å; H156-E158 WeakPolarHBondContact ND1-CB 3.29Å; H156-E158 PolarHBondContact ND1-N 2.9Å; H156-E158 IonicContact ND1-OE2 2.7Å; H156-E158 PolarHBondContact O-N 3.25Å; E158-D161 PolarHBondContact O-N 3.17Å; E158-N162 WeakPolarHBondContact O-CB 3.45Å; E158-N162 PolarHBondContact O-N 3.48Å; E158-N162 PolarHBondContact O-ND2 3.41Å; E158-N162 VanDerWaalsContact O-ND2 3.14Å
159	T	98.1	Very high	98	Very high	50 Å²	50	60.1 Å²	60.1	31%	0.307	33%	0.325	S	S	.	.	H	α-helix	trans	-65.5	-43.3	175.8	-53.9	0	0	0	0	110.4	M155 H156 P157 D161 N162 L163	M155-T159 HydrophobicContact CG-CG2 4.12Å; M155-T159 HydrophobicContact SD-CG2 3.64Å; H156-T159 WeakPolarHBondContact O-CB 3.32Å; H156-T159 PolarHBondContact O-N 2.82Å; P157-T159 VanDerWaalsContact C-N 3.3Å; P157-T159 PolarHBondContact O-N 3.44Å; T159-D161 PolarHBondContact O-N 2.84Å; T159-N162 PolarHBondContact O-N 3.09Å; T159-L163 HydrophobicContact CG2-CD1 4.24Å; T159-L163 VanDerWaalsContact O-CG 3.27Å; T159-L163 WeakPolarHBondContact O-CG 3.23Å; T159-L163 PolarHBondContact O-N 2.81Å
160	V	98.4	Very high	97.9	Very high	8 Å²	8	62.9 Å²	62.9	5%	0.048	34%	0.336	C	S	.	.	H	α-helix	trans	-59.9	-46.7	176.5	177.5	0	0	0	0	110.8	I49 E50 I148 M155 H156 P157 N162 L163 K164	I49-V160 HydrophobicContact CG2-CG2 4.11Å; E50-V160 HydrophobicContact CG-CG1 4.04Å; E50-V160 WeakPolarHBondContact OE1-CG1 3.14Å; I148-V160 HydrophobicContact CD1-CG1 3.99Å; M155-V160 HydrophobicContact CB-CG2 4.15Å; M155-V160 HydrophobicContact CG-CG2 3.94Å; M155-V160 HydrophobicContact SD-CG2 3.66Å; H156-V160 PolarHBondContact O-N 2.87Å; P157-V160 WeakPolarHBondContact O-CB 3.45Å; P157-V160 PolarHBondContact O-N 2.91Å; P157-V160 VanDerWaalsContact O-N 3.13Å; V160-N162 PolarHBondContact O-N 3.08Å; V160-L163 PolarHBondContact O-N 2.81Å; V160-K164 HydrophobicContact CG1-CD 4.28Å; V160-K164 WeakPolarHBondContact O-CG 3.34Å; V160-K164 PolarHBondContact O-N 2.96Å
161	D	98.4	Very high	97.7	Very high	91 Å²	91	71.6 Å²	71.6	49%	0.487	37%	0.373	S	S	.	.	H	α-helix	trans	-64.3	-38.5	179.8	-71.9	-20.9	0	0	0	112.5	P157 E158 T159 K164 S165	P157-D161 PolarHBondContact O-N 2.72Å; E158-D161 PolarHBondContact O-N 3.17Å; T159-D161 PolarHBondContact O-N 2.84Å; D161-K164 PolarHBondContact O-N 3.27Å; D161-S165 WeakPolarHBondContact O-CB 3.41Å; D161-S165 PolarHBondContact O-N 2.03Å; D161-S165 PolarHBondContact O-OG 3.02Å
162	N	98.5	Very high	97.6	Very high	96 Å²	96	68.5 Å²	68.5	51%	0.513	36%	0.361	S	S	.	.	H	α-helix	trans	-63.2	-43	174.2	-73.9	-28.4	0	0	0	111.7	E158 T159 V160 S165 L166	E158-N162 WeakPolarHBondContact O-CB 3.45Å; E158-N162 PolarHBondContact O-N 3.48Å; E158-N162 PolarHBondContact O-ND2 3.41Å; E158-N162 VanDerWaalsContact O-ND2 3.14Å; T159-N162 PolarHBondContact O-N 3.09Å; V160-N162 PolarHBondContact O-N 3.08Å; N162-S165 PolarHBondContact O-N 3.49Å; N162-L166 PolarHBondContact O-N 3.05Å
163	L	98.7	Very high	97.5	Very high	8 Å²	8	69.3 Å²	69.3	4%	0.042	36%	0.359	C	S	.	.	H	α-helix	trans	-68.7	-37	178	-65	175	0	0	0	112.3	Y128 L130 I148 M155 T159 V160 L166 L167	Y128-L163 HydrophobicContact CD2-CD1 3.78Å; Y128-L163 HydrophobicContact CD2-CD2 3.63Å; Y128-L163 HydrophobicContact CD2-CG 4.33Å; Y128-L163 HydrophobicContact CE2-CD2 3.56Å; Y128-L163 HydrophobicContact CG-CD1 4.15Å; L130-L163 HydrophobicContact CB-CD2 4.18Å; L130-L163 HydrophobicContact CD1-CB 4.45Å; L130-L163 HydrophobicContact CD2-CD2 4.43Å; I148-L163 HydrophobicContact CD1-CB 3.92Å; I148-L163 HydrophobicContact CG1-CB 4.13Å; I148-L163 HydrophobicContact CG1-CD1 4.32Å; I148-L163 HydrophobicContact CG2-CD1 3.72Å; M155-L163 HydrophobicContact SD-CD1 4.24Å; T159-L163 HydrophobicContact CG2-CD1 4.24Å; T159-L163 VanDerWaalsContact O-CG 3.27Å; T159-L163 WeakPolarHBondContact O-CG 3.23Å; T159-L163 PolarHBondContact O-N 2.81Å; V160-L163 PolarHBondContact O-N 2.81Å; L163-L166 WeakPolarHBondContact O-CB 3.38Å; L163-L166 PolarHBondContact O-N 3.29Å; L163-L167 PolarHBondContact O-N 2.98Å; L163-L167 VanDerWaalsContact O-N 3.17Å
164	K	98.6	Very high	97.4	Very high	38 Å²	38	67 Å²	67	17%	0.165	34%	0.344	C	S	.	.	H	α-helix	trans	-63.5	-43.2	171	-73.9	176.9	-179.4	170.9	0	111.8	E50 I148 V160 D161 L166 L167 Q168 T174 M177	E50-K164 IonicContact OE1-NZ 3.93Å; E50-K164 PolarHBondContact OE1-NZ 3.49Å; E50-K164 WeakPolarHBondContact OE2-CE 3.3Å; E50-K164 IonicContact OE2-NZ 3.74Å; E50-K164 PolarHBondContact OE2-NZ 2.9Å; I148-K164 HydrophobicContact CD1-CG 3.95Å; V160-K164 HydrophobicContact CG1-CD 4.28Å; V160-K164 WeakPolarHBondContact O-CG 3.34Å; V160-K164 PolarHBondContact O-N 2.96Å; D161-K164 PolarHBondContact O-N 3.27Å; K164-L166 VanDerWaalsContact C-N 3.25Å; K164-L166 PolarHBondContact O-N 3.49Å; K164-L167 WeakPolarHBondContact O-CB 3.17Å; K164-L167 PolarHBondContact O-N 3.24Å; K164-Q168 WeakPolarHBondContact O-CG 3.27Å; K164-Q168 PolarHBondContact O-N 2.83Å; K164-T174 HydrophobicContact CB-CG2 4.35Å; K164-M177 HydrophobicContact CG-SD 3.97Å
165	S	98.6	Very high	97.4	Very high	61 Å²	61	68.4 Å²	68.4	43%	0.427	35%	0.35	S	S	.	.	H	α-helix	trans	-61.8	-36.6	177.3	-60.3	0	0	0	0	111.4	D161 N162 Q168 S169	D161-S165 WeakPolarHBondContact O-CB 3.41Å; D161-S165 PolarHBondContact O-N 2.03Å; D161-S165 PolarHBondContact O-OG 3.02Å; N162-S165 PolarHBondContact O-N 3.49Å; S165-Q168 PolarHBondContact O-N 3.4Å; S165-S169 PolarHBondContact O-N 3.26Å
166	L	98.6	Very high	97.3	Very high	46 Å²	46	71 Å²	71	24%	0.241	36%	0.361	C	S	.	.	H	α-helix	trans	-62.1	-47.1	174	-175.4	59.5	0	0	0	111.8	I121 L130 N162 L163 K164 Q168 S169 Y170	I121-L166 HydrophobicContact CG2-CD2 4.32Å; L130-L166 HydrophobicContact CD2-CB 4.35Å; L130-L166 HydrophobicContact CD2-CD2 3.89Å; L130-L166 HydrophobicContact CD2-CG 4.26Å; N162-L166 PolarHBondContact O-N 3.05Å; L163-L166 WeakPolarHBondContact O-CB 3.38Å; L163-L166 PolarHBondContact O-N 3.29Å; K164-L166 VanDerWaalsContact C-N 3.25Å; K164-L166 PolarHBondContact O-N 3.49Å; L166-Q168 PolarHBondContact O-N 2.77Å; L166-S169 WeakPolarHBondContact O-CB 3.18Å; L166-S169 PolarHBondContact O-N 3.34Å; L166-S169 PolarHBondContact O-OG 3.14Å; L166-Y170 HydrophobicContact CD1-CE2 3.68Å; L166-Y170 WeakPolarHBondContact CD1-OH 2.94Å; L166-Y170 HydrophobicContact CG-CE2 3.82Å; L166-Y170 VanDerWaalsContact O-CD2 3.31Å; L166-Y170 WeakPolarHBondContact O-CD2 3.35Å; L166-Y170 PolarHBondContact O-N 2.87Å
167	L	98.4	Very high	97.2	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-58.3	-45.9	173.7	-72.5	178.2	0	0	0	112.2	L130 A146 L163 K164 S169 Y170 K171 I172 T174 M177	L130-L167 HydrophobicContact CD1-CD1 3.86Å; L130-L167 HydrophobicContact CD1-CD2 4.05Å; L130-L167 HydrophobicContact CD1-CG 3.88Å; L130-L167 HydrophobicContact CD2-CD2 3.96Å; L130-L167 HydrophobicContact CD2-CG 3.96Å; L130-L167 HydrophobicContact CG-CD2 4.21Å; L130-L167 HydrophobicContact CG-CG 4.38Å; A146-L167 HydrophobicContact CB-CD1 3.82Å; L163-L167 PolarHBondContact O-N 2.98Å; L163-L167 VanDerWaalsContact O-N 3.17Å; K164-L167 WeakPolarHBondContact O-CB 3.17Å; K164-L167 PolarHBondContact O-N 3.24Å; L167-S169 VanDerWaalsContact C-N 3.27Å; L167-S169 PolarHBondContact O-N 2.86Å; L167-Y170 CarbonylContact O-C 3.51Å; L167-Y170 WeakPolarHBondContact O-CA 3.29Å; L167-Y170 PolarHBondContact O-N 3.4Å; L167-K171 PolarHBondContact O-N 2.73Å; L167-I172 CarbonylContact C-O 3.52Å; L167-I172 HydrophobicContact CB-CB 4.14Å; L167-I172 HydrophobicContact CB-CG2 4.31Å; L167-I172 HydrophobicContact CD2-CB 4.45Å; L167-I172 HydrophobicContact CD2-CD1 3.86Å; L167-I172 HydrophobicContact CD2-CG2 4.31Å; L167-I172 WeakPolarHBondContact O-CB 3.44Å; L167-I172 PolarHBondContact O-N 3.07Å; L167-I172 VanDerWaalsContact O-N 3.07Å; L167-T174 HydrophobicContact CB-CG2 3.58Å; L167-T174 HydrophobicContact CD1-CG2 3.63Å; L167-T174 HydrophobicContact CG-CG2 4.28Å; L167-M177 HydrophobicContact CD1-CE 4.46Å; L167-M177 HydrophobicContact CD1-SD 3.84Å
168	Q	98	Very high	97.2	Very high	106 Å²	106	67 Å²	67	50%	0.495	34%	0.337	S	S	.	.	H	α-helix	trans	-60.7	-37	178.7	-71.5	172.8	-8.4	0	0	112	K164 S165 L166 Y170 K171 T174	K164-Q168 WeakPolarHBondContact O-CG 3.27Å; K164-Q168 PolarHBondContact O-N 2.83Å; S165-Q168 PolarHBondContact O-N 3.4Å; L166-Q168 PolarHBondContact O-N 2.77Å; Q168-Y170 PolarHBondContact O-N 2.84Å; Q168-K171 WeakPolarHBondContact O-CA 3.38Å; Q168-K171 PolarHBondContact O-N 3.35Å; Q168-T174 HydrophobicContact CG-CG2 4.16Å; Q168-T174 WeakPolarHBondContact CG-OG1 3.25Å; Q168-T174 PolarHBondContact NE2-OG1 3.13Å
169	S	98.1	Very high	97.2	Very high	76 Å²	76	66 Å²	66	53%	0.531	34%	0.34	S	S	.	.	H	α-helix	trans	-60	-26.4	175.1	84.4	0	0	0	0	112.7	S165 L166 L167 K171	S165-S169 PolarHBondContact O-N 3.26Å; L166-S169 WeakPolarHBondContact O-CB 3.18Å; L166-S169 PolarHBondContact O-N 3.34Å; L166-S169 PolarHBondContact O-OG 3.14Å; L167-S169 VanDerWaalsContact C-N 3.27Å; L167-S169 PolarHBondContact O-N 2.86Å; S169-K171 VanDerWaalsContact C-N 3.35Å
170	Y	97.4	Very high	97.1	Very high	68 Å²	68	64.5 Å²	64.5	27%	0.267	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	15	174.5	-53.4	-40.5	0	0	0	113.5	P31 P32 I121 L166 L167 Q168 I172	P31-Y170 HydrophobicContact CB-CD1 4.4Å; P31-Y170 HydrophobicContact CB-CD2 3.43Å; P31-Y170 VanDerWaalsContact CB-CD2 3.43Å; P31-Y170 HydrophobicContact CB-CE2 4.02Å; P31-Y170 HydrophobicContact CB-CG 3.65Å; P32-Y170 VanDerWaalsContact CD-CE1 3.49Å; P32-Y170 HydrophobicContact CG-CE1 3.69Å; P32-Y170 HydrophobicContact CG-CE2 4.23Å; P32-Y170 VanDerWaalsContact CG-CZ 3.49Å; P32-Y170 VanDerWaalsContact CG-OH 3.27Å; P32-Y170 WeakPolarHBondContact CG-OH 3.42Å; I121-Y170 HydrophobicContact CG2-CD2 4.38Å; I121-Y170 HydrophobicContact CG2-CE2 3.85Å; L166-Y170 HydrophobicContact CD1-CE2 3.68Å; L166-Y170 WeakPolarHBondContact CD1-OH 2.94Å; L166-Y170 HydrophobicContact CG-CE2 3.82Å; L166-Y170 VanDerWaalsContact O-CD2 3.31Å; L166-Y170 WeakPolarHBondContact O-CD2 3.35Å; L166-Y170 PolarHBondContact O-N 2.87Å; L167-Y170 CarbonylContact O-C 3.51Å; L167-Y170 WeakPolarHBondContact O-CA 3.29Å; L167-Y170 PolarHBondContact O-N 3.4Å; Q168-Y170 PolarHBondContact O-N 2.84Å; Y170-I172 PolarHBondContact O-N 3.27Å
171	K	95.4	Very high	97.1	Very high	190 Å²	190	68.2 Å²	68.2	83%	0.826	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	27.2	179.9	-49.9	174.5	-178.5	174.5	0	113.2	L167 Q168 S169	L167-K171 PolarHBondContact O-N 2.73Å; Q168-K171 WeakPolarHBondContact O-CA 3.38Å; Q168-K171 PolarHBondContact O-N 3.35Å; S169-K171 VanDerWaalsContact C-N 3.35Å
172	I	95.8	Very high	97	Very high	1 Å²	1	64.9 Å²	64.9	1%	0.005	33%	0.332	C	S	.	.			trans	-93.5	115.4	171	-61.9	160.7	0	0	0	107.1	P29 P31 L52 Y132 L167 Y170 T174	P29-I172 HydrophobicContact CB-CD1 4.49Å; P29-I172 HydrophobicContact CB-CG1 4.04Å; P29-I172 HydrophobicContact CG-CG1 4.06Å; P31-I172 HydrophobicContact CG-CD1 4.19Å; L52-I172 HydrophobicContact CD1-CG2 4.47Å; Y132-I172 HydrophobicContact CD1-CD1 4.16Å; Y132-I172 HydrophobicContact CD2-CD1 3.74Å; Y132-I172 HydrophobicContact CD2-CG1 4.47Å; Y132-I172 HydrophobicContact CD2-CG2 4.33Å; Y132-I172 HydrophobicContact CE1-CD1 3.99Å; Y132-I172 HydrophobicContact CE2-CB 4.5Å; Y132-I172 HydrophobicContact CE2-CD1 3.55Å; Y132-I172 HydrophobicContact CE2-CG1 3.84Å; Y132-I172 HydrophobicContact CE2-CG2 3.83Å; Y132-I172 HydrophobicContact CG-CD1 4.04Å; L167-I172 CarbonylContact C-O 3.52Å; L167-I172 HydrophobicContact CB-CB 4.14Å; L167-I172 HydrophobicContact CB-CG2 4.31Å; L167-I172 HydrophobicContact CD2-CB 4.45Å; L167-I172 HydrophobicContact CD2-CD1 3.86Å; L167-I172 HydrophobicContact CD2-CG2 4.31Å; L167-I172 WeakPolarHBondContact O-CB 3.44Å; L167-I172 PolarHBondContact O-N 3.07Å; L167-I172 VanDerWaalsContact O-N 3.07Å; Y170-I172 PolarHBondContact O-N 3.27Å; I172-T174 PolarHBondContact O-N 2.98Å
173	D	94.3	Very high	96.8	Very high	62 Å²	62	65.2 Å²	65.2	33%	0.332	33%	0.334	S	S	.	.			trans	-66.5	127.6	178.8	177.9	15.8	0	0	0	111	E175	D173-E175 VanDerWaalsContact OD1-CB 3.27Å; D173-E175 WeakPolarHBondContact OD1-CB 3.03Å; D173-E175 PolarHBondContact OD1-N 3Å
174	T	96.2	Very high	96.5	Very high	8 Å²	8	72.7 Å²	72.7	5%	0.049	37%	0.374	C	S	.	.			trans	-113.4	2.2	179.6	60.2	0	0	0	0	113.5	K164 L167 Q168 I172 K176 M177	K164-T174 HydrophobicContact CB-CG2 4.35Å; L167-T174 HydrophobicContact CB-CG2 3.58Å; L167-T174 HydrophobicContact CD1-CG2 3.63Å; L167-T174 HydrophobicContact CG-CG2 4.28Å; Q168-T174 HydrophobicContact CG-CG2 4.16Å; Q168-T174 WeakPolarHBondContact CG-OG1 3.25Å; Q168-T174 PolarHBondContact NE2-OG1 3.13Å; I172-T174 PolarHBondContact O-N 2.98Å; T174-K176 PolarHBondContact O-N 3.26Å; T174-K176 VanDerWaalsContact O-N 3.15Å; T174-M177 HydrophobicContact CG2-CG 4.39Å; T174-M177 HydrophobicContact CG2-SD 3.6Å; T174-M177 WeakPolarHBondContact O-CB 3.27Å; T174-M177 PolarHBondContact O-N 3.18Å
175	E	94.6	Very high	96.4	Very high	169 Å²	169	73 Å²	73	79%	0.79	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-33.8	-179.7	-172.7	-173.5	172.3	0	0	111.7	D173	D173-E175 VanDerWaalsContact OD1-CB 3.27Å; D173-E175 WeakPolarHBondContact OD1-CB 3.03Å; D173-E175 PolarHBondContact OD1-N 3Å
176	K	94.8	Very high	96.1	Very high	89 Å²	89	71.9 Å²	71.9	39%	0.387	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	3.4	-179.8	-67.4	175.4	-179.2	169.8	0	113.8	T22 L52 P53 T174 M178	T22-K176 HydrophobicContact CG2-CB 4.2Å; T22-K176 HydrophobicContact CG2-CD 3.57Å; L52-K176 HydrophobicContact CD2-CB 4.39Å; P53-K176 VanDerWaalsContact CD-O 3.26Å; P53-K176 WeakPolarHBondContact CD-O 3.23Å; P53-K176 HydrophobicContact CG-CB 4.19Å; P53-K176 WeakPolarHBondContact CG-O 3.27Å; T174-K176 PolarHBondContact O-N 3.26Å; T174-K176 VanDerWaalsContact O-N 3.15Å; K176-M178 WeakPolarHBondContact O-CG 3.44Å; K176-M178 PolarHBondContact O-N 3.28Å
177	M	96.4	Very high	95.6	Very high	16 Å²	16	76.3 Å²	76.3	8%	0.079	40%	0.402	C	S	.	.			trans	-62.7	136.6	174.2	-71	-172.3	73.9	0	0	110	E50 K51 L52 I148 K164 L167 T174	E50-M177 HydrophobicContact CB-CE 3.98Å; K51-M177 CarbonylContact O-C 3.48Å; K51-M177 VanDerWaalsContact O-CA 3.26Å; K51-M177 WeakPolarHBondContact O-CA 3.44Å; L52-M177 HydrophobicContact CD2-CG 3.55Å; L52-M177 HydrophobicContact CG-CG 3.86Å; I148-M177 HydrophobicContact CD1-CE 3.72Å; I148-M177 HydrophobicContact CG1-CE 3.93Å; K164-M177 HydrophobicContact CG-SD 3.97Å; L167-M177 HydrophobicContact CD1-CE 4.46Å; L167-M177 HydrophobicContact CD1-SD 3.84Å; T174-M177 HydrophobicContact CG2-CG 4.39Å; T174-M177 HydrophobicContact CG2-SD 3.6Å; T174-M177 WeakPolarHBondContact O-CB 3.27Å; T174-M177 PolarHBondContact O-N 3.18Å
178	M	95.8	Very high	94.9	Very high	104 Å²	104	83.2 Å²	83.2	51%	0.512	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	134.7	-175.8	-60.7	179.7	62.5	0	0	108.8	E50 K51 P53 K176	E50-M178 VanDerWaalsContact CA-O 3.28Å; E50-M178 WeakPolarHBondContact CA-O 2.98Å; K51-M178 PolarHBondContact N-O 2.86Å; K51-M178 PolarHBondContact O-N 3.19Å; P53-M178 HydrophobicContact CG-SD 4.1Å; K176-M178 WeakPolarHBondContact O-CG 3.44Å; K176-M178 PolarHBondContact O-N 3.28Å
179	P	97.3	Very high	94.5	Very high	99 Å²	99	79.9 Å²	79.9	64%	0.643	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.2	143.9	170.8	29.9	-34.4	0	0	0	110.6	I49 E50	I49-P179 WeakPolarHBondContact O-CA 3.31Å; E50-P179 HydrophobicContact CG-CB 4.38Å
180	T	97.6	Very high	94.3	Very high	18 Å²	18	80.1 Å²	80.1	11%	0.11	41%	0.414	C	S	.	.			trans	-96.1	130.4	174.8	-66.3	0	0	0	0	109	E48 I49 I62 Q182	E48-T180 HydrophobicContact CB-CG2 4.4Å; E48-T180 HydrophobicContact CG-CG2 4.41Å; E48-T180 WeakPolarHBondContact O-CB 3.39Å; E48-T180 PolarHBondContact OE1-OG1 2.82Å; I49-T180 PolarHBondContact O-N 2.91Å; I62-T180 HydrophobicContact CB-CG2 4.08Å; I62-T180 HydrophobicContact CD1-CG2 3.95Å; I62-T180 HydrophobicContact CG1-CG2 4.2Å; T180-Q182 PolarHBondContact O-N 2.9Å
181	D	97.3	Very high	94.1	Very high	87 Å²	87	80.7 Å²	80.7	47%	0.465	42%	0.422	S	S	.	.			trans	-71.9	111.3	178.3	-177.2	7.2	0	0	0	109.9	S60 C61 L183	S60-D181 WeakPolarHBondContact CB-O 3.45Å; C61-D181 PolarHBondContact N-O 2.75Å; D181-L183 WeakPolarHBondContact OD1-CB 3.02Å; D181-L183 PolarHBondContact OD1-N 2.9Å
182	Q	97.3	Very high	94	Very high	21 Å²	21	74.7 Å²	74.7	10%	0.098	40%	0.4	C	S	.	.			trans	-107.3	10.5	176.7	-66.4	-68.9	-11.6	0	0	112.3	E48 I62 P153 T180 C185	E48-Q182 PolarHBondContact O-NE2 2.85Å; I62-Q182 PolarHBondContact O-NE2 3.38Å; P153-Q182 HydrophobicContact CB-CB 4.02Å; P153-Q182 VanDerWaalsContact O-CB 3.22Å; P153-Q182 WeakPolarHBondContact O-CB 3.06Å; P153-Q182 WeakPolarHBondContact O-CG 3.44Å; T180-Q182 PolarHBondContact O-N 2.9Å; Q182-C185 VanDerWaalsContact C-SG 3.54Å; Q182-C185 PolarHBondContact O-SG 3.14Å; Q182-C185 VanDerWaalsContact O-SG 3.33Å
183	L	93.8	Very high	93.9	Very high	103 Å²	103	79 Å²	79	54%	0.539	42%	0.423	S	S	.	.	S	Bend	trans	-89.3	149.4	-179.1	-59.3	177	0	0	0	111.1	D181 C185	D181-L183 WeakPolarHBondContact OD1-CB 3.02Å; D181-L183 PolarHBondContact OD1-N 2.9Å; L183-C185 PolarHBondContact O-N 3.29Å; L183-C185 VanDerWaalsContact O-N 3.15Å
184	N	92.7	Very high	93.9	Very high	165 Å²	165	80.1 Å²	80.1	88%	0.882	43%	0.428	S	S	*	.	S	Bend	trans	54.6	32.7	174.4	-53.8	-58.7	0	0	0	114.6
185	C	95.3	Very high	93.8	Very high	44 Å²	44	84.9 Å²	84.9	30%	0.297	45%	0.454	S	S	.	.			trans	-67.8	137	178.3	-61.8	0	0	0	0	111.9	C61 Q182 L183 M189	C61-C185 VanDerWaalsContact CA-SG 3.56Å; C61-C185 HydrophobicContact CB-CB 3.77Å; C61-C185 WeakPolarHBondContact CB-SG 3.34Å; C61-C185 WeakPolarHBondContact SG-CA 3.47Å; C61-C185 WeakPolarHBondContact SG-CB 2.94Å; C61-C185 CovalentContact SG-SG 2.03Å; C61-C185 PolarHBondContact SG-SG 2.98Å; Q182-C185 VanDerWaalsContact C-SG 3.54Å; Q182-C185 PolarHBondContact O-SG 3.14Å; Q182-C185 VanDerWaalsContact O-SG 3.33Å; L183-C185 PolarHBondContact O-N 3.29Å; L183-C185 VanDerWaalsContact O-N 3.15Å; C185-M189 HydrophobicContact CB-CG 4.2Å
186	P	92.8	Very high	93.7	Very high	38 Å²	38	78.9 Å²	78.9	25%	0.247	43%	0.43	C	S	.	.			trans	-68.6	155.7	-179.3	26.3	-31.9	0	0	0	111.2	L81 E188 M189	L81-P186 HydrophobicContact CD1-CG 4.13Å; L81-P186 HydrophobicContact CD2-CG 4.37Å; P186-E188 PolarHBondContact O-N 3.07Å; P186-M189 HydrophobicContact CG-CG 3.87Å; P186-M189 HydrophobicContact CG-SD 4.3Å; P186-M189 WeakPolarHBondContact O-CB 3.28Å; P186-M189 VanDerWaalsContact O-CG 3.31Å; P186-M189 WeakPolarHBondContact O-CG 3.19Å; P186-M189 PolarHBondContact O-N 2.9Å; P186-M189 VanDerWaalsContact O-N 3.17Å
187	P	87.9	Confident	93.6	Very high	138 Å²	138	78.1 Å²	78.1	90%	0.896	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-18.5	178.7	-24.7	34.2	0	0	0	114.9	M189	P187-M189 PolarHBondContact O-N 3.06Å
188	E	84.7	Confident	93.4	Very high	146 Å²	146	83.3 Å²	83.3	68%	0.682	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-5.7	-178.9	-62.7	176.4	-174.9	0	0	113.8	K79 V87 P186	K79-E188 PolarHBondContact NZ-O 3.2Å; V87-E188 HydrophobicContact CG2-CB 4.41Å; P186-E188 PolarHBondContact O-N 3.07Å
189	M	88.1	Confident	93.2	Very high	36 Å²	36	81.4 Å²	81.4	18%	0.177	46%	0.458	C	S	.	.			trans	-70.5	0	175.7	-61.9	-58.2	-63.2	0	0	111.5	K45 C61 Q63 K79 L81 V87 C185 P186 P187	K45-M189 PolarHBondContact NZ-O 2.84Å; C61-M189 HydrophobicContact CB-CE 3.48Å; C61-M189 VanDerWaalsContact CB-CE 3.48Å; C61-M189 HydrophobicContact CB-CG 4.14Å; C61-M189 HydrophobicContact CB-SD 4.17Å; C61-M189 WeakPolarHBondContact O-CE 3.45Å; Q63-M189 HydrophobicContact CG-CE 4.38Å; Q63-M189 PolarHBondContact NE2-OXT 3.16Å; K79-M189 HydrophobicContact CB-CE 4.03Å; K79-M189 VanDerWaalsContact CD-OXT 3.3Å; K79-M189 WeakPolarHBondContact CD-OXT 3.33Å; K79-M189 PolarHBondContact NZ-OXT 3.23Å; L81-M189 HydrophobicContact CB-SD 4.36Å; V87-M189 HydrophobicContact CG1-SD 4.02Å; V87-M189 HydrophobicContact CG2-SD 3.74Å; C185-M189 HydrophobicContact CB-CG 4.2Å; P186-M189 HydrophobicContact CG-CG 3.87Å; P186-M189 HydrophobicContact CG-SD 4.3Å; P186-M189 WeakPolarHBondContact O-CB 3.28Å; P186-M189 VanDerWaalsContact O-CG 3.31Å; P186-M189 WeakPolarHBondContact O-CG 3.19Å; P186-M189 PolarHBondContact O-N 2.9Å; P186-M189 VanDerWaalsContact O-N 3.17Å; P187-M189 PolarHBondContact O-N 3.06Å

Retrieved 189 of 189 residues in 44.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).