A0A087YNJ5_POEFO Loading...

Polymeric immunoglobulin receptor

AlphaFold DB , UniProt , Accession A0A087YNJ5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 341 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.4	Very low	46.1	Very low	241 Å²	241	146.5 Å²	146.5	100%	1.187	79%	0.791	S	S	*	*				0	99.8	0	-62.1	179.7	-49.4	0	0	107.9
2	S	43.7	Very low	46.6	Very low	114 Å²	114	147.3 Å²	147.3	80%	0.797	79%	0.792	S	S	*	*			trans	163.6	62.3	161.9	-172.6	0	0	0	0	110.6
3	Q	44.9	Very low	46.8	Very low	159 Å²	159	142.5 Å²	142.5	74%	0.743	77%	0.774	S	S	*	*	S	Bend	trans	-157.9	31.4	173.9	-84.2	-55.5	-18.2	0	0	112.5
4	L	44.4	Very low	46.4	Very low	167 Å²	167	149.7 Å²	149.7	87%	0.874	79%	0.785	S	S	*	*	S	Bend	trans	-130.9	1	177.8	-94.8	116.4	0	0	0	114.8
5	S	45.3	Very low	46.5	Very low	106 Å²	106	148.9 Å²	148.9	74%	0.741	78%	0.78	S	S	*	*	S	Bend	trans	-94.2	-2.1	179.6	-171.9	0	0	0	0	114.1
6	T	46.6	Very low	46.5	Very low	84 Å²	84	145.1 Å²	145.1	52%	0.515	77%	0.766	S	S	.	*	S	Bend	trans	-99.6	-9	-171	40.4	0	0	0	0	114.7	F10	T6-F10 WeakPolarHBondContact O-CD2 3.37Å
7	I	46.7	Very low	46.5	Very low	133 Å²	133	140.5 Å²	140.5	68%	0.682	75%	0.754	S	S	*	*	S	Bend	trans	-98.9	-16.6	-172.2	-58.2	178.1	0	0	0	113	L9	I7-L9 VanDerWaalsContact C-N 3.33Å; I7-L9 PolarHBondContact O-N 2.82Å
8	T	46.9	Very low	46.7	Very low	127 Å²	127	141.7 Å²	141.7	78%	0.779	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-3.3	177.5	41.1	0	0	0	0	114.9
9	L	47.4	Very low	47.1	Very low	153 Å²	153	140.9 Å²	140.9	80%	0.801	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	1.1	180	-147.5	76.3	0	0	0	114.2	I7	I7-L9 VanDerWaalsContact C-N 3.33Å; I7-L9 PolarHBondContact O-N 2.82Å
10	F	47.6	Very low	48	Very low	166 Å²	166	136.5 Å²	136.5	73%	0.728	73%	0.727	S	S	*	*	S	Bend	trans	-100.8	6.5	-174.5	-83.8	-80.5	0	0	0	115.4	T6	T6-F10 WeakPolarHBondContact O-CD2 3.37Å
11	L	46	Very low	49.8	Very low	162 Å²	162	135.3 Å²	135.3	85%	0.848	72%	0.716	S	S	*	*	S	Bend	trans	-114	20.5	179.1	-70.1	172.9	0	0	0	114.3
12	L	52.7	Low	52	Low	155 Å²	155	123.9 Å²	123.9	81%	0.812	66%	0.659	S	S	*	*			trans	-125.6	40.8	173.1	-85.4	163.9	0	0	0	115
13	P	48.6	Very low	54.4	Low	86 Å²	86	121.5 Å²	121.5	56%	0.558	64%	0.64	S	S	*	*	S	Bend	trans	-119.6	132.6	147.7	34	-21.5	0	0	0	108.8
14	W	41.8	Very low	56.9	Low	243 Å²	243	115.3 Å²	115.3	92%	0.92	61%	0.613	S	S	*	*			trans	107	25.4	178.6	-49.1	-6	0	0	0	116.8	P16	W14-P16 VanDerWaalsContact O-CD 3.32Å; W14-P16 WeakPolarHBondContact O-CD 3.46Å
15	I	46.8	Very low	59.3	Low	138 Å²	138	111 Å²	111	71%	0.708	59%	0.588	S	S	*	*	S	Bend	trans	-83.6	108.1	133.8	-55.7	174.2	0	0	0	102.8	A17	I15-A17 PolarHBondContact O-N 2.82Å
16	P	47.5	Very low	61.7	Low	87 Å²	87	113.9 Å²	113.9	57%	0.565	59%	0.59	S	S	*	*			trans	-54.4	106.2	159.5	22.9	-28.2	0	0	0	103.9	W14 F18	W14-P16 VanDerWaalsContact O-CD 3.32Å; W14-P16 WeakPolarHBondContact O-CD 3.46Å; P16-F18 HydrophobicContact CG-CE2 4.15Å; P16-F18 WeakPolarHBondContact O-CD2 3.47Å; P16-F18 PolarHBondContact O-N 3.21Å
17	A	46.1	Very low	64.1	Low	68 Å²	68	113.6 Å²	113.6	56%	0.562	58%	0.583	S	S	*	*			trans	-58.2	104.7	168.7	0	0	0	0	0	103.1	I15 L19	I15-A17 PolarHBondContact O-N 2.82Å; A17-L19 HydrophobicContact CB-CD1 4.36Å; A17-L19 HydrophobicContact CB-CD2 4.42Å; A17-L19 HydrophobicContact CB-CG 3.86Å; A17-L19 PolarHBondContact O-N 2.82Å
18	F	49.8	Very low	66.4	Low	162 Å²	162	107.5 Å²	107.5	71%	0.711	55%	0.552	S	S	*	*			trans	-64.1	75.4	164.1	-73.5	-86	0	0	0	104.5	P16 C20	P16-F18 HydrophobicContact CG-CE2 4.15Å; P16-F18 WeakPolarHBondContact O-CD2 3.47Å; P16-F18 PolarHBondContact O-N 3.21Å; F18-C20 VanDerWaalsContact C-N 3.26Å; F18-C20 PolarHBondContact O-N 3.37Å; F18-C20 PolarHBondContact O-SG 3.45Å
19	L	54.3	Low	68.7	Low	127 Å²	127	102 Å²	102	67%	0.665	52%	0.519	S	S	*	.			trans	-73.4	99.3	171.6	-74.3	170.7	0	0	0	103	A17 K21	A17-L19 HydrophobicContact CB-CD1 4.36Å; A17-L19 HydrophobicContact CB-CD2 4.42Å; A17-L19 HydrophobicContact CB-CG 3.86Å; A17-L19 PolarHBondContact O-N 2.82Å; L19-K21 VanDerWaalsContact O-CB 3.24Å; L19-K21 WeakPolarHBondContact O-CB 3.28Å; L19-K21 PolarHBondContact O-N 2.99Å
20	C	64.8	Low	71	Confident	51 Å²	51	95.6 Å²	95.6	35%	0.345	49%	0.486	S	S	.	.			trans	-46.4	105.8	165.2	-36.4	0	0	0	0	106.3	F18 E43 Q45 Y46	F18-C20 VanDerWaalsContact C-N 3.26Å; F18-C20 PolarHBondContact O-N 3.37Å; F18-C20 PolarHBondContact O-SG 3.45Å; C20-E43 WeakPolarHBondContact CA-OE2 3.45Å; C20-Q45 PolarHBondContact SG-NE2 2.77Å; C20-Y46 HydrophobicContact CB-CE2 3.88Å; C20-Y46 WeakPolarHBondContact CB-OH 3.48Å; C20-Y46 PolarHBondContact O-OH 3.02Å
21	K	87.1	Confident	73.3	Confident	113 Å²	113	88.6 Å²	88.6	49%	0.491	46%	0.456	S	S	.	.			trans	-139.4	133.3	-169	-168.1	173.6	-179.8	-172.6	0	111.3	L19 T23 D121	L19-K21 VanDerWaalsContact O-CB 3.24Å; L19-K21 WeakPolarHBondContact O-CB 3.28Å; L19-K21 PolarHBondContact O-N 2.99Å; K21-T23 HydrophobicContact CD-CG2 4.16Å; K21-T23 HydrophobicContact CG-CG2 4.04Å; K21-D121 WeakPolarHBondContact CA-OD2 3.16Å; K21-D121 PolarHBondContact N-OD2 3.33Å
22	V	92.8	Very high	75.7	Confident	0 Å²	0	81.4 Å²	81.4	0%	0	42%	0.418	C	S	.	.			trans	-81.5	134.6	162.6	-173.8	0	0	0	0	108.6	C40 H41 F92 C109 V111 D121 T123	V22-C40 HydrophobicContact CG1-CB 4.37Å; V22-H41 CarbonylContact C-O 3.58Å; V22-H41 VanDerWaalsContact CA-O 3.29Å; V22-H41 WeakPolarHBondContact CA-O 3.26Å; V22-H41 WeakPolarHBondContact CG1-O 3.27Å; V22-F92 HydrophobicContact CG1-CE1 4.21Å; V22-F92 HydrophobicContact CG1-CZ 4.46Å; V22-C109 HydrophobicContact CG1-CB 3.92Å; V22-V111 HydrophobicContact CG2-CB 4.06Å; V22-V111 HydrophobicContact CG2-CG2 3.34Å; V22-D121 HydrophobicContact CG2-CB 4.13Å; V22-D121 WeakPolarHBondContact CG2-O 3.36Å; V22-D121 PolarHBondContact N-OD1 2.79Å; V22-D121 PolarHBondContact N-OD2 3.49Å; V22-T123 HydrophobicContact CB-CG2 4.19Å; V22-T123 HydrophobicContact CG1-CG2 3.77Å; V22-T123 VanDerWaalsContact O-CB 3.28Å; V22-T123 WeakPolarHBondContact O-CB 3.45Å
23	T	95.1	Very high	77.7	Confident	65 Å²	65	74.9 Å²	74.9	40%	0.399	39%	0.389	S	S	.	.	B	Isolated β-bridge	trans	-131.9	147.7	-179.6	59.2	0	0	0	0	111.7	K21 C40 H41	K21-T23 HydrophobicContact CD-CG2 4.16Å; K21-T23 HydrophobicContact CG-CG2 4.04Å; T23-C40 CarbonylContact O-C 3.57Å; T23-C40 WeakPolarHBondContact O-CA 3.28Å; T23-H41 PolarHBondContact N-O 3.18Å; T23-H41 PolarHBondContact O-N 2.85Å
24	T	96.4	Very high	79.8	Confident	28 Å²	28	71.9 Å²	71.9	17%	0.172	37%	0.374	C	S	.	.			trans	-158.1	173.9	176.2	-167.1	0	0	0	0	108	P39 T123 T125	T24-P39 WeakPolarHBondContact CB-O 3.27Å; T24-P39 PolarHBondContact OG1-O 2.9Å; T24-T123 HydrophobicContact CG2-CG2 3.55Å; T24-T125 HydrophobicContact CG2-CG2 4.32Å
25	E	95.7	Very high	82.3	Confident	76 Å²	76	63.6 Å²	63.6	36%	0.355	35%	0.353	S	S	.	.			trans	-72.1	145.7	175.1	-53.1	-171.2	158.2	0	0	111.3	E27 F28 T125 F330	E25-E27 VanDerWaalsContact C-N 3.32Å; E25-E27 PolarHBondContact O-N 2.8Å; E25-F28 HydrophobicContact CB-CE1 4.18Å; E25-F28 HydrophobicContact CB-CE2 3.76Å; E25-F28 HydrophobicContact CB-CZ 3.55Å; E25-F28 HydrophobicContact CG-CE1 4.22Å; E25-F28 HydrophobicContact CG-CE2 4.45Å; E25-F28 HydrophobicContact CG-CZ 3.76Å; E25-F28 WeakPolarHBondContact OE2-CE1 3.5Å; E25-T125 WeakPolarHBondContact O-CB 3.49Å; E25-T125 PolarHBondContact O-OG1 3.34Å; E25-F330 WeakPolarHBondContact OE1-CD1 3.23Å; E25-F330 WeakPolarHBondContact OE1-CE1 3.39Å; E25-F330 VanDerWaalsContact OE2-CD1 3.28Å; E25-F330 WeakPolarHBondContact OE2-CD1 3.39Å
26	E	94.9	Very high	84.6	Confident	167 Å²	167	57.4 Å²	57.4	78%	0.78	32%	0.321	S	S	*	.	S	Bend	trans	-68.1	-31.6	-175.1	-63.9	-173.7	168.5	0	0	113.1	T125 K126	E26-T125 CarbonylContact O-C 3.59Å; E26-T125 WeakPolarHBondContact O-CA 3.36Å; E26-T125 PolarHBondContact O-OG1 2.83Å; E26-K126 PolarHBondContact O-N 3.43Å
27	E	96.4	Very high	87	Confident	79 Å²	79	55.9 Å²	55.9	37%	0.369	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	135	-176.9	-175.4	168	178.4	0	0	111.4	E25 K126	E25-E27 VanDerWaalsContact C-N 3.32Å; E25-E27 PolarHBondContact O-N 2.8Å; E27-K126 CarbonylContact C-O 3.5Å; E27-K126 VanDerWaalsContact CA-O 3.25Å; E27-K126 WeakPolarHBondContact CA-O 3.42Å; E27-K126 HydrophobicContact CB-CB 4.41Å; E27-K126 HydrophobicContact CG-CB 4.3Å
28	F	96.6	Very high	89.4	Confident	5 Å²	5	52.7 Å²	52.7	2%	0.022	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	143.8	170	-67.8	-85.6	0	0	0	109.9	E25 L36 I38 T125 K126 V127 K128	E25-F28 HydrophobicContact CB-CE1 4.18Å; E25-F28 HydrophobicContact CB-CE2 3.76Å; E25-F28 HydrophobicContact CB-CZ 3.55Å; E25-F28 HydrophobicContact CG-CE1 4.22Å; E25-F28 HydrophobicContact CG-CE2 4.45Å; E25-F28 HydrophobicContact CG-CZ 3.76Å; E25-F28 WeakPolarHBondContact OE2-CE1 3.5Å; F28-L36 HydrophobicContact CB-CD1 3.96Å; F28-L36 HydrophobicContact CB-CD2 3.46Å; F28-L36 VanDerWaalsContact CB-CD2 3.46Å; F28-L36 HydrophobicContact CB-CG 4.31Å; F28-L36 HydrophobicContact CD1-CD1 3.94Å; F28-L36 HydrophobicContact CD1-CD2 4.46Å; F28-L36 HydrophobicContact CG-CD1 4.22Å; F28-L36 HydrophobicContact CG-CD2 3.96Å; F28-I38 HydrophobicContact CD2-CD1 4.09Å; F28-I38 HydrophobicContact CD2-CG1 3.98Å; F28-I38 HydrophobicContact CD2-CG2 4.35Å; F28-I38 HydrophobicContact CE2-CB 4.31Å; F28-I38 HydrophobicContact CE2-CD1 4.4Å; F28-I38 HydrophobicContact CE2-CG1 4.01Å; F28-I38 HydrophobicContact CE2-CG2 3.63Å; F28-I38 HydrophobicContact CG-CG1 4.28Å; F28-I38 HydrophobicContact CZ-CB 4.44Å; F28-I38 HydrophobicContact CZ-CG1 4.32Å; F28-I38 HydrophobicContact CZ-CG2 3.97Å; F28-T125 WeakPolarHBondContact CD2-OG1 3.33Å; F28-K126 PolarHBondContact N-O 2.84Å; F28-V127 WeakPolarHBondContact O-CA 3.44Å; F28-K128 PolarHBondContact O-N 2.86Å
29	A	95.1	Very high	91.7	Very high	10 Å²	10	47 Å²	47	8%	0.083	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	139.9	175.7	0	0	0	0	0	111	K128 I130 L331	A29-K128 VanDerWaalsContact CA-O 3.3Å; A29-K128 WeakPolarHBondContact CA-O 3.42Å; A29-I130 HydrophobicContact CB-CD1 3.83Å; A29-I130 HydrophobicContact CB-CG1 4.49Å; A29-L331 HydrophobicContact CB-CD1 4.47Å
30	V	95.5	Very high	93.7	Very high	19 Å²	19	40.9 Å²	40.9	12%	0.115	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	148.8	177.1	68.7	0	0	0	0	109.5	L99 K128 V129 I130	V30-L99 HydrophobicContact CG1-CB 4.11Å; V30-L99 HydrophobicContact CG1-CD1 3.62Å; V30-L99 HydrophobicContact CG1-CG 4.5Å; V30-K128 PolarHBondContact N-O 3.32Å; V30-V129 HydrophobicContact CG1-CG2 4.18Å; V30-V129 CarbonylContact O-C 3.59Å; V30-V129 WeakPolarHBondContact O-CA 3.38Å; V30-I130 PolarHBondContact O-N 2.8Å
31	L	95.9	Very high	95.3	Very high	20 Å²	20	42.7 Å²	42.7	11%	0.105	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	146	171.1	-70.6	168.5	0	0	0	110.2	G33 G34 I130 L153	L31-G33 PolarHBondContact O-N 2.81Å; L31-G34 WeakPolarHBondContact O-CA 3.4Å; L31-G34 PolarHBondContact O-N 3.43Å; L31-I130 WeakPolarHBondContact CA-O 3.31Å; L31-I130 HydrophobicContact CD2-CB 4.12Å; L31-I130 HydrophobicContact CD2-CG2 4Å; L31-L153 HydrophobicContact CD1-CB 3.41Å; L31-L153 VanDerWaalsContact CD1-CB 3.41Å
32	E	96	Very high	95.7	Very high	10 Å²	10	37.9 Å²	37.9	5%	0.047	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	132	174.5	180	-173.5	-147.1	0	0	111.5	G34 L99 V129 I130 H131 S155 E156 R157	E32-G34 VanDerWaalsContact C-N 3.29Å; E32-L99 WeakPolarHBondContact CA-O 3.23Å; E32-V129 HydrophobicContact CB-CG1 3.83Å; E32-V129 HydrophobicContact CG-CG1 4.43Å; E32-I130 PolarHBondContact N-O 3.24Å; E32-H131 IonicContact OE2-ND1 3.97Å; E32-H131 PolarHBondContact OE2-ND1 2.62Å; E32-S155 WeakPolarHBondContact O-CA 3.35Å; E32-E156 HydrophobicContact CG-CG 4.14Å; E32-E156 PolarHBondContact O-N 3.1Å; E32-R157 VanDerWaalsContact CD-NE 3.27Å; E32-R157 IonicContact OE1-CZ 2.87Å; E32-R157 IonicContact OE1-NE 3.78Å; E32-R157 PolarHBondContact OE1-NE 3.22Å; E32-R157 IonicContact OE1-NH2 2.88Å; E32-R157 PolarHBondContact OE1-NH2 3.12Å; E32-R157 WeakPolarHBondContact OE2-CD 3.37Å; E32-R157 WeakPolarHBondContact OE2-CG 3.28Å; E32-R157 IonicContact OE2-CZ 3.66Å; E32-R157 IonicContact OE2-NE 3.77Å; E32-R157 PolarHBondContact OE2-NE 2.92Å; E32-R157 IonicContact OE2-NH2 2.7Å
33	G	93.9	Very high	95.6	Very high	19 Å²	19	40.2 Å²	40.2	20%	0.196	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	86	-6.4	-170	0	0	0	0	0	114.4	L31 D98 L99	L31-G33 PolarHBondContact O-N 2.81Å; G33-D98 WeakPolarHBondContact CA-OD1 3.25Å; G33-L99 PolarHBondContact N-O 2.79Å
34	G	93.4	Very high	95.4	Very high	23 Å²	23	40 Å²	40	24%	0.237	22%	0.223	C	C	.	.			trans	-79.8	173	176.7	0	0	0	0	0	113.5	L31 E32 D98 L99	L31-G34 WeakPolarHBondContact O-CA 3.4Å; L31-G34 PolarHBondContact O-N 3.43Å; E32-G34 VanDerWaalsContact C-N 3.29Å; G34-D98 PolarHBondContact O-N 3.37Å; G34-D98 VanDerWaalsContact O-N 3.16Å; G34-L99 PolarHBondContact O-N 3.08Å
35	S	94.9	Very high	95.1	Very high	69 Å²	69	41.8 Å²	41.8	48%	0.483	23%	0.23	S	C	.	.			trans	-119.9	145.9	175.3	-56.9	0	0	0	0	110.3	M96 K97	S35-M96 CarbonylContact C-O 3.6Å; S35-M96 WeakPolarHBondContact CA-O 3.3Å; S35-M96 WeakPolarHBondContact CB-O 3.43Å; S35-K97 WeakPolarHBondContact OG-CA 3.25Å
36	L	95.1	Very high	94.9	Very high	8 Å²	8	38.9 Å²	38.9	4%	0.042	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	141.7	-179	-175.3	70	0	0	0	109.8	F28 I38 T95 M96 L99 V127	F28-L36 HydrophobicContact CB-CD1 3.96Å; F28-L36 HydrophobicContact CB-CD2 3.46Å; F28-L36 VanDerWaalsContact CB-CD2 3.46Å; F28-L36 HydrophobicContact CB-CG 4.31Å; F28-L36 HydrophobicContact CD1-CD1 3.94Å; F28-L36 HydrophobicContact CD1-CD2 4.46Å; F28-L36 HydrophobicContact CG-CD1 4.22Å; F28-L36 HydrophobicContact CG-CD2 3.96Å; L36-I38 HydrophobicContact CD2-CD1 3.6Å; L36-I38 HydrophobicContact CD2-CG1 3.62Å; L36-I38 HydrophobicContact CG-CD1 4.32Å; L36-I38 HydrophobicContact CG-CG1 3.84Å; L36-T95 CarbonylContact O-C 3.58Å; L36-T95 WeakPolarHBondContact O-CA 3.36Å; L36-M96 PolarHBondContact N-O 2.98Å; L36-M96 PolarHBondContact O-N 2.02Å; L36-L99 HydrophobicContact CB-CD1 3.83Å; L36-V127 HydrophobicContact CD2-CG1 4.09Å; L36-V127 HydrophobicContact CD2-CG2 4.13Å
37	T	96.5	Very high	94.9	Very high	55 Å²	55	31.3 Å²	31.3	34%	0.337	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	117	173.9	-62.3	0	0	0	0	108.5	T93 V94	T37-T93 HydrophobicContact CG2-CG2 3.13Å; T37-V94 CarbonylContact C-O 3.54Å; T37-V94 WeakPolarHBondContact CA-O 3.47Å
38	I	97.6	Very high	94.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	114.8	-173.3	-60.9	176.1	0	0	0	108.8	F28 L36 W53 T93 V94 V127	F28-I38 HydrophobicContact CD2-CD1 4.09Å; F28-I38 HydrophobicContact CD2-CG1 3.98Å; F28-I38 HydrophobicContact CD2-CG2 4.35Å; F28-I38 HydrophobicContact CE2-CB 4.31Å; F28-I38 HydrophobicContact CE2-CD1 4.4Å; F28-I38 HydrophobicContact CE2-CG1 4.01Å; F28-I38 HydrophobicContact CE2-CG2 3.63Å; F28-I38 HydrophobicContact CG-CG1 4.28Å; F28-I38 HydrophobicContact CZ-CB 4.44Å; F28-I38 HydrophobicContact CZ-CG1 4.32Å; F28-I38 HydrophobicContact CZ-CG2 3.97Å; L36-I38 HydrophobicContact CD2-CD1 3.6Å; L36-I38 HydrophobicContact CD2-CG1 3.62Å; L36-I38 HydrophobicContact CG-CD1 4.32Å; L36-I38 HydrophobicContact CG-CG1 3.84Å; I38-W53 HydrophobicContact CD1-CH2 3.36Å; I38-W53 HydrophobicContact CD1-CZ2 3.54Å; I38-W53 HydrophobicContact CD1-CZ3 4.36Å; I38-W53 HydrophobicContact CG2-CH2 4.17Å; I38-W53 HydrophobicContact CG2-CZ3 4.26Å; I38-T93 WeakPolarHBondContact O-CA 3.45Å; I38-V94 PolarHBondContact N-O 3.39Å; I38-V94 PolarHBondContact O-N 3.27Å; I38-V127 HydrophobicContact CD1-CG2 3.91Å
39	P	97.7	Very high	94.5	Very high	42 Å²	42	35.5 Å²	35.5	27%	0.273	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	131.2	171.3	31.7	-31.7	0	0	0	110.6	T24 V91	T24-P39 WeakPolarHBondContact CB-O 3.27Å; T24-P39 PolarHBondContact OG1-O 2.9Å; P39-V91 HydrophobicContact CB-CG2 3.96Å
40	C	97.6	Very high	94.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	102.2	172.5	-52.3	0	0	0	0	108.1	V22 T23 V91 F92 C109	V22-C40 HydrophobicContact CG1-CB 4.37Å; T23-C40 CarbonylContact O-C 3.57Å; T23-C40 WeakPolarHBondContact O-CA 3.28Å; C40-V91 WeakPolarHBondContact O-CA 3.34Å; C40-F92 HydrophobicContact CB-CD1 3.8Å; C40-F92 HydrophobicContact CB-CD2 3.82Å; C40-F92 HydrophobicContact CB-CE1 3.4Å; C40-F92 HydrophobicContact CB-CE2 3.44Å; C40-F92 VanDerWaalsContact CB-CE2 3.44Å; C40-F92 HydrophobicContact CB-CG 4.01Å; C40-F92 HydrophobicContact CB-CZ 3.23Å; C40-F92 PolarHBondContact N-O 2.85Å; C40-F92 WeakPolarHBondContact O-CD1 3.35Å; C40-F92 PolarHBondContact O-N 2.92Å; C40-F92 WeakPolarHBondContact SG-CE2 3.43Å; C40-C109 HydrophobicContact CB-CB 3.61Å; C40-C109 WeakPolarHBondContact CB-SG 3.27Å; C40-C109 WeakPolarHBondContact SG-CB 3.33Å; C40-C109 CovalentContact SG-SG 2.04Å; C40-C109 PolarHBondContact SG-SG 3.02Å
41	H	97.1	Very high	94.5	Very high	89 Å²	89	35.8 Å²	35.8	41%	0.412	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	150	178.5	-68.4	-81.4	0	0	0	110.9	V22 T23	V22-H41 CarbonylContact C-O 3.58Å; V22-H41 VanDerWaalsContact CA-O 3.29Å; V22-H41 WeakPolarHBondContact CA-O 3.26Å; V22-H41 WeakPolarHBondContact CG1-O 3.27Å; T23-H41 PolarHBondContact N-O 3.18Å; T23-H41 PolarHBondContact O-N 2.85Å
42	Y	95.1	Very high	94.5	Very high	12 Å²	12	35.4 Å²	35.4	5%	0.047	21%	0.206	C	C	.	.			trans	-146.4	161.9	-179.8	58.8	-100.4	0	0	0	112.1	A47 K51 D85 P87 L90 F92	Y42-A47 HydrophobicContact CE2-CB 4.45Å; Y42-K51 HydrophobicContact CD1-CD 4.5Å; Y42-K51 HydrophobicContact CE1-CD 4.42Å; Y42-K51 VanDerWaalsContact CE1-CE 3.44Å; Y42-D85 WeakPolarHBondContact CE1-OD1 3.41Å; Y42-D85 VanDerWaalsContact CZ-OD1 3.29Å; Y42-D85 PolarHBondContact OH-OD1 2.63Å; Y42-D85 PolarHBondContact OH-OD2 3.44Å; Y42-P87 VanDerWaalsContact OH-CA 3.29Å; Y42-P87 WeakPolarHBondContact OH-CA 3.47Å; Y42-L90 HydrophobicContact CD2-CB 4.25Å; Y42-L90 HydrophobicContact CD2-CD2 4.32Å; Y42-L90 VanDerWaalsContact CE1-C 3.46Å; Y42-L90 HydrophobicContact CE2-CB 4.07Å; Y42-L90 HydrophobicContact CE2-CD2 3.75Å; Y42-L90 PolarHBondContact N-O 2.95Å; Y42-L90 WeakPolarHBondContact O-CB 3.35Å; Y42-F92 AromaticContact CD1-CD1 3.68Å; Y42-F92 HydrophobicContact CD1-CD1 3.68Å; Y42-F92 HydrophobicContact CD1-CE1 4.23Å; Y42-F92 HydrophobicContact CE1-CB 4.44Å; Y42-F92 AromaticContact CE1-CD1 3.88Å; Y42-F92 HydrophobicContact CE1-CD1 3.88Å
43	E	91.5	Very high	94.5	Very high	49 Å²	49	35 Å²	35	23%	0.229	20%	0.204	C	C	.	.			trans	-77.6	152.3	177.4	-71	-155.7	166.1	0	0	113.4	C20 Q45 Y46	C20-E43 WeakPolarHBondContact CA-OE2 3.45Å; E43-Q45 HydrophobicContact CB-CG 4.16Å; E43-Q45 PolarHBondContact O-N 2.69Å; E43-Q45 PolarHBondContact OE2-OE1 2.91Å; E43-Y46 HydrophobicContact CB-CD2 4.3Å; E43-Y46 HydrophobicContact CB-CE2 4.5Å; E43-Y46 WeakPolarHBondContact O-CB 3.36Å; E43-Y46 PolarHBondContact O-N 2.96Å
44	P	91.6	Very high	94.5	Very high	60 Å²	60	34.2 Å²	34.2	39%	0.39	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-49.6	-36.2	-173.2	-26.3	30	0	0	0	116	Y46 A47 L90	P44-Y46 PolarHBondContact O-N 3.47Å; P44-Y46 VanDerWaalsContact O-N 3.14Å; P44-A47 WeakPolarHBondContact O-CB 3.37Å; P44-A47 PolarHBondContact O-N 2.74Å; P44-A47 VanDerWaalsContact O-N 3.11Å; P44-L90 HydrophobicContact CB-CD1 4.19Å; P44-L90 HydrophobicContact CB-CD2 4.4Å; P44-L90 HydrophobicContact CG-CD1 3.64Å
45	Q	89.4	Confident	94.6	Very high	65 Å²	65	36.2 Å²	36.2	30%	0.304	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-57.7	-23.3	176.2	60.8	-145.4	70.5	0	0	114.6	C20 E43 Y49	C20-Q45 PolarHBondContact SG-NE2 2.77Å; E43-Q45 HydrophobicContact CB-CG 4.16Å; E43-Q45 PolarHBondContact O-N 2.69Å; E43-Q45 PolarHBondContact OE2-OE1 2.91Å; Q45-Y49 VanDerWaalsContact O-CD2 3.29Å; Q45-Y49 WeakPolarHBondContact O-CD2 3.16Å; Q45-Y49 WeakPolarHBondContact O-CE2 3.38Å
46	Y	92.1	Very high	94.5	Very high	15 Å²	15	33.6 Å²	33.6	6%	0.059	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-89.4	0.1	-179.9	-60.3	-46.7	0	0	0	113.7	C20 E43 P44 S48 Y49 K51 V111 I113 D121	C20-Y46 HydrophobicContact CB-CE2 3.88Å; C20-Y46 WeakPolarHBondContact CB-OH 3.48Å; C20-Y46 PolarHBondContact O-OH 3.02Å; E43-Y46 HydrophobicContact CB-CD2 4.3Å; E43-Y46 HydrophobicContact CB-CE2 4.5Å; E43-Y46 WeakPolarHBondContact O-CB 3.36Å; E43-Y46 PolarHBondContact O-N 2.96Å; P44-Y46 PolarHBondContact O-N 3.47Å; P44-Y46 VanDerWaalsContact O-N 3.14Å; Y46-S48 VanDerWaalsContact C-N 3.25Å; Y46-S48 PolarHBondContact O-N 2.99Å; Y46-Y49 HydrophobicContact CD1-CD2 4.24Å; Y46-Y49 PolarHBondContact O-N 3.16Å; Y46-K51 WeakPolarHBondContact O-CE 3.49Å; Y46-K51 PolarHBondContact O-NZ 2.82Å; Y46-V111 HydrophobicContact CD1-CG1 3.77Å; Y46-V111 HydrophobicContact CD2-CG2 4.5Å; Y46-V111 HydrophobicContact CE1-CG1 4.44Å; Y46-V111 HydrophobicContact CG-CG1 3.92Å; Y46-V111 HydrophobicContact CG-CG2 4.31Å; Y46-I113 HydrophobicContact CD1-CD1 4.48Å; Y46-I113 HydrophobicContact CD1-CG1 4.4Å; Y46-I113 HydrophobicContact CE1-CD1 3.54Å; Y46-I113 HydrophobicContact CE1-CG1 3.89Å; Y46-D121 HydrophobicContact CE2-CB 4.25Å; Y46-D121 WeakPolarHBondContact CE2-OD2 3.24Å; Y46-D121 WeakPolarHBondContact OH-CB 3.29Å; Y46-D121 PolarHBondContact OH-OD2 2.83Å
47	A	93.3	Very high	94	Very high	8 Å²	8	42.9 Å²	42.9	7%	0.066	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-39.8	-177.4	0	0	0	0	0	113.3	Y42 P44 P87 L90 V306	Y42-A47 HydrophobicContact CE2-CB 4.45Å; P44-A47 WeakPolarHBondContact O-CB 3.37Å; P44-A47 PolarHBondContact O-N 2.74Å; P44-A47 VanDerWaalsContact O-N 3.11Å; A47-P87 HydrophobicContact CB-CB 4.21Å; A47-L90 HydrophobicContact CB-CD2 4.4Å; A47-V306 HydrophobicContact CB-CG2 3.69Å
48	S	92.1	Very high	93.4	Very high	89 Å²	89	43 Å²	43	62%	0.622	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-0.5	-179	63	0	0	0	0	114.8	Y46	Y46-S48 VanDerWaalsContact C-N 3.25Å; Y46-S48 PolarHBondContact O-N 2.99Å
49	Y	93.3	Very high	92.4	Very high	83 Å²	83	46.9 Å²	46.9	33%	0.325	23%	0.233	S	C	.	.	S	Bend	trans	-91	151.7	-175.2	-72.5	-97.4	0	0	0	111.4	Q45 Y46 K51 V111 E112 I113	Q45-Y49 VanDerWaalsContact O-CD2 3.29Å; Q45-Y49 WeakPolarHBondContact O-CD2 3.16Å; Q45-Y49 WeakPolarHBondContact O-CE2 3.38Å; Y46-Y49 HydrophobicContact CD1-CD2 4.24Å; Y46-Y49 PolarHBondContact O-N 3.16Å; Y49-K51 PolarHBondContact O-NZ 3.23Å; Y49-V111 VanDerWaalsContact CB-CG1 3.49Å; Y49-V111 HydrophobicContact CG-CG1 4.18Å; Y49-E112 VanDerWaalsContact CD1-O 3.25Å; Y49-E112 WeakPolarHBondContact CD1-O 3.16Å; Y49-I113 HydrophobicContact CE1-CB 4.32Å; Y49-I113 HydrophobicContact CE1-CG2 4.06Å; Y49-I113 WeakPolarHBondContact CE1-O 3.46Å
50	V	94.5	Very high	91.5	Very high	35 Å²	35	51.8 Å²	51.8	21%	0.212	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	135.4	177.2	175.5	0	0	0	0	109.9	D69 V111 E112	V50-D69 HydrophobicContact CG1-CB 4.18Å; V50-D69 VanDerWaalsContact CG1-OD1 3.31Å; V50-D69 WeakPolarHBondContact CG1-OD1 3.01Å; V50-D69 HydrophobicContact CG2-CB 3.89Å; V50-V111 WeakPolarHBondContact O-CA 3.23Å; V50-E112 HydrophobicContact CB-CB 4.25Å; V50-E112 PolarHBondContact O-N 2.7Å
51	K	96.2	Very high	90.7	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	144.3	173.7	-42.9	-58.6	-172.1	-54.3	0	109.3	Y42 Y46 Y49 R67 T68 I83 D85 F92 G110 V111	Y42-K51 HydrophobicContact CD1-CD 4.5Å; Y42-K51 HydrophobicContact CE1-CD 4.42Å; Y42-K51 VanDerWaalsContact CE1-CE 3.44Å; Y46-K51 WeakPolarHBondContact O-CE 3.49Å; Y46-K51 PolarHBondContact O-NZ 2.82Å; Y49-K51 PolarHBondContact O-NZ 3.23Å; K51-R67 WeakPolarHBondContact O-CA 3.06Å; K51-T68 HydrophobicContact CB-CG2 3.7Å; K51-T68 HydrophobicContact CG-CG2 4.09Å; K51-T68 PolarHBondContact N-OG1 2.82Å; K51-T68 PolarHBondContact O-N 2.76Å; K51-T68 PolarHBondContact O-OG1 2.78Å; K51-I83 HydrophobicContact CB-CD1 4.12Å; K51-D85 HydrophobicContact CG-CB 4.3Å; K51-D85 WeakPolarHBondContact CG-OD2 3.49Å; K51-D85 IonicContact NZ-OD1 2.88Å; K51-D85 IonicContact NZ-OD2 3.92Å; K51-D85 PolarHBondContact NZ-OD2 3.12Å; K51-F92 HydrophobicContact CB-CB 4.19Å; K51-F92 HydrophobicContact CB-CD1 3.73Å; K51-F92 HydrophobicContact CB-CD2 3.91Å; K51-F92 HydrophobicContact CB-CE1 3.96Å; K51-F92 HydrophobicContact CB-CE2 4.1Å; K51-F92 HydrophobicContact CB-CG 3.69Å; K51-F92 HydrophobicContact CB-CZ 4.11Å; K51-F92 HydrophobicContact CD-CD1 3.7Å; K51-F92 HydrophobicContact CD-CE1 3.88Å; K51-F92 HydrophobicContact CD-CG 4.43Å; K51-F92 HydrophobicContact CG-CB 4Å; K51-F92 HydrophobicContact CG-CD1 3.57Å; K51-F92 HydrophobicContact CG-CE1 4.09Å; K51-F92 HydrophobicContact CG-CG 3.8Å; K51-G110 CarbonylContact C-O 3.58Å; K51-G110 WeakPolarHBondContact CA-O 3.49Å; K51-V111 HydrophobicContact CD-CB 4.42Å; K51-V111 HydrophobicContact CD-CG1 4.47Å; K51-V111 HydrophobicContact CD-CG2 3.61Å
52	Y	94.9	Very high	90.4	Very high	13 Å²	13	57.3 Å²	57.3	5%	0.051	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	153.8	177.6	67.6	-95	0	0	0	112.7	C54 A66 G110 E112 D120 T122	Y52-C54 HydrophobicContact CD2-CB 4.08Å; Y52-C54 HydrophobicContact CE2-CB 4.12Å; Y52-A66 CarbonylContact C-O 3.6Å; Y52-A66 WeakPolarHBondContact CA-O 3.4Å; Y52-G110 WeakPolarHBondContact CD1-O 3.45Å; Y52-G110 PolarHBondContact N-O 2.98Å; Y52-G110 PolarHBondContact O-N 2.91Å; Y52-E112 HydrophobicContact CD1-CB 4.24Å; Y52-E112 HydrophobicContact CE1-CB 4.22Å; Y52-D120 PolarHBondContact OH-OD2 2.7Å; Y52-T122 WeakPolarHBondContact OH-CG2 3.38Å
53	W	96.7	Very high	90.3	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	126.7	171.4	-175	-118	0	0	0	109.4	I38 L65 A66 V94 M96 Y107 T125	I38-W53 HydrophobicContact CD1-CH2 3.36Å; I38-W53 HydrophobicContact CD1-CZ2 3.54Å; I38-W53 HydrophobicContact CD1-CZ3 4.36Å; I38-W53 HydrophobicContact CG2-CH2 4.17Å; I38-W53 HydrophobicContact CG2-CZ3 4.26Å; W53-L65 PolarHBondContact O-N 3.08Å; W53-A66 HydrophobicContact CB-CB 4.35Å; W53-A66 PolarHBondContact N-O 3.41Å; W53-A66 PolarHBondContact O-N 3.14Å; W53-V94 HydrophobicContact CB-CG1 4.15Å; W53-V94 HydrophobicContact CB-CG2 3.91Å; W53-V94 HydrophobicContact CD2-CB 4.23Å; W53-V94 HydrophobicContact CD2-CG1 3.81Å; W53-V94 HydrophobicContact CD2-CG2 3.92Å; W53-V94 HydrophobicContact CE3-CB 4.39Å; W53-V94 HydrophobicContact CE3-CG1 4.46Å; W53-V94 HydrophobicContact CE3-CG2 3.84Å; W53-V94 HydrophobicContact CG-CB 4.39Å; W53-V94 HydrophobicContact CG-CG1 3.65Å; W53-V94 HydrophobicContact CG-CG2 3.99Å; W53-M96 HydrophobicContact CZ2-SD 3.96Å; W53-Y107 HydrophobicContact CD2-CD1 4.48Å; W53-Y107 AromaticContact CE2-CD1 3.45Å; W53-Y107 VanDerWaalsContact CE2-CD1 3.45Å; W53-Y107 AromaticContact CE2-CG 3.96Å; W53-Y107 HydrophobicContact CH2-CD1 4.38Å; W53-Y107 HydrophobicContact CH2-CG 4.06Å; W53-Y107 AromaticContact CZ2-CD1 3.4Å; W53-Y107 HydrophobicContact CZ2-CD1 3.4Å; W53-Y107 HydrophobicContact CZ2-CD2 4.38Å; W53-Y107 HydrophobicContact CZ2-CE1 4.29Å; W53-Y107 AromaticContact CZ2-CG 3.43Å; W53-Y107 HydrophobicContact CZ2-CG 3.43Å; W53-Y107 VanDerWaalsContact CZ2-CG 3.43Å; W53-Y107 AromaticContact NE1-CD1 3.35Å; W53-Y107 AromaticContact NE1-CE1 3.78Å; W53-T125 HydrophobicContact CH2-CG2 3.51Å; W53-T125 HydrophobicContact CZ3-CG2 4.02Å
54	C	94.4	Very high	90.3	Very high	4 Å²	4	61.6 Å²	61.6	3%	0.027	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	138.8	-176.1	-143.5	0	0	0	0	111.2	Y52 C62 T63 S64 Y107 I108	Y52-C54 HydrophobicContact CD2-CB 4.08Å; Y52-C54 HydrophobicContact CE2-CB 4.12Å; C54-C62 HydrophobicContact CB-CB 3.75Å; C54-C62 WeakPolarHBondContact CB-SG 3.36Å; C54-C62 WeakPolarHBondContact SG-CB 3.49Å; C54-C62 CovalentContact SG-SG 2.02Å; C54-C62 PolarHBondContact SG-SG 3.09Å; C54-T63 CarbonylContact C-O 3.59Å; C54-T63 WeakPolarHBondContact CA-O 3.13Å; C54-T63 PolarHBondContact SG-O 3.32Å; C54-T63 VanDerWaalsContact SG-O 3.34Å; C54-S64 PolarHBondContact SG-N 3.23Å; C54-S64 VanDerWaalsContact SG-N 3.43Å; C54-Y107 CarbonylContact O-C 3.5Å; C54-Y107 VanDerWaalsContact O-CA 3.25Å; C54-Y107 WeakPolarHBondContact O-CA 3.39Å; C54-I108 HydrophobicContact CB-CB 4.09Å; C54-I108 PolarHBondContact N-O 3.22Å; C54-I108 PolarHBondContact O-N 2.83Å
55	Q	95.6	Very high	90.5	Very high	64 Å²	64	61.6 Å²	61.6	30%	0.299	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	120.7	173.4	-173.3	-176.1	28.8	0	0	110	C62 T63 L65 Y107	Q55-C62 CarbonylContact O-C 3.5Å; Q55-C62 VanDerWaalsContact O-CA 3.23Å; Q55-C62 WeakPolarHBondContact O-CA 3.46Å; Q55-C62 WeakPolarHBondContact O-CB 3.38Å; Q55-T63 PolarHBondContact N-O 3.3Å; Q55-T63 PolarHBondContact O-N 3.07Å; Q55-L65 HydrophobicContact CB-CD1 3.8Å; Q55-L65 HydrophobicContact CB-CG 4.14Å; Q55-Y107 HydrophobicContact CB-CD1 3.85Å; Q55-Y107 HydrophobicContact CB-CE1 3.66Å; Q55-Y107 HydrophobicContact CG-CD1 4.02Å; Q55-Y107 HydrophobicContact CG-CE1 3.58Å; Q55-Y107 HydrophobicContact CG-CE2 4.37Å; Q55-Y107 PolarHBondContact NE2-OH 3.23Å
56	G	92	Very high	90.7	Very high	14 Å²	14	58.9 Å²	58.9	14%	0.144	30%	0.297	C	S	.	.	S	Bend	trans	163.6	162.6	-179.1	0	0	0	0	0	113.5	W106	G56-W106 PolarHBondContact N-O 2.73Å; G56-W106 CarbonylContact O-C 3.48Å; G56-W106 VanDerWaalsContact O-CB 3.29Å; G56-W106 WeakPolarHBondContact O-CB 3.45Å
57	R	85.8	Confident	90.8	Very high	204 Å²	204	60.7 Å²	60.7	77%	0.77	30%	0.304	S	S	*	.	S	Bend	trans	-87.3	-19.7	179.1	-65.6	-175.1	-179.2	154.2	1.3	113.6	W106	R57-W106 HydrophobicContact CG-CB 4.2Å; R57-W106 HydrophobicContact CG-CG 4.22Å
58	T	82.3	Confident	90.8	Very high	56 Å²	56	62.9 Å²	62.9	34%	0.344	32%	0.317	S	S	.	.	S	Bend	trans	-137.5	158.8	177.2	70.6	0	0	0	0	108.6	E60 F61 C62	T58-E60 VanDerWaalsContact C-N 3.35Å; T58-E60 WeakPolarHBondContact CB-OE2 3.46Å; T58-E60 PolarHBondContact OG1-OE2 2.9Å; T58-F61 WeakPolarHBondContact OG1-CD2 3.28Å; T58-C62 WeakPolarHBondContact O-CB 3.39Å; T58-C62 PolarHBondContact O-N 3.36Å
59	R	76.8	Confident	90.7	Very high	82 Å²	82	61.9 Å²	61.9	31%	0.309	30%	0.304	S	S	.	.	S	Bend	trans	-67.3	-36.5	-178.1	179.7	178.1	167.3	-162	-9.5	112.3	F61 C62 A119 D120	R59-F61 VanDerWaalsContact C-N 3.29Å; R59-F61 PolarHBondContact O-N 2.96Å; R59-C62 PolarHBondContact O-SG 3.28Å; R59-A119 VanDerWaalsContact NH1-CA 3.34Å; R59-A119 VanDerWaalsContact NH1-CB 3.34Å; R59-D120 VanDerWaalsContact CZ-CG 3.45Å; R59-D120 IonicContact CZ-OD2 3.29Å; R59-D120 VanDerWaalsContact CZ-OD2 3.29Å; R59-D120 IonicContact NE-OD2 3.35Å; R59-D120 PolarHBondContact NE-OD2 2.6Å; R59-D120 VanDerWaalsContact NH2-CB 3.34Å; R59-D120 VanDerWaalsContact NH2-N 3.15Å; R59-D120 IonicContact NH2-OD1 3.23Å; R59-D120 PolarHBondContact NH2-OD1 2.93Å; R59-D120 IonicContact NH2-OD2 2.79Å; R59-D120 PolarHBondContact NH2-OD2 3.17Å
60	E	79.5	Confident	90.5	Very high	145 Å²	145	61 Å²	61	68%	0.678	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-22.4	-174.5	-55.2	75.7	-165.2	0	0	113	T58	T58-E60 VanDerWaalsContact C-N 3.35Å; T58-E60 WeakPolarHBondContact CB-OE2 3.46Å; T58-E60 PolarHBondContact OG1-OE2 2.9Å
61	F	81.3	Confident	89.3	Confident	175 Å²	175	68.3 Å²	68.3	77%	0.768	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.9	25.1	-176.2	-57.8	-66	0	0	0	112.2	T58 R59	T58-F61 WeakPolarHBondContact OG1-CD2 3.28Å; R59-F61 VanDerWaalsContact C-N 3.29Å; R59-F61 PolarHBondContact O-N 2.96Å
62	C	91	Very high	87.7	Confident	31 Å²	31	73.2 Å²	73.2	21%	0.209	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-89.3	147.3	174.6	80.5	0	0	0	0	111.3	C54 Q55 T58 R59 I108	C54-C62 HydrophobicContact CB-CB 3.75Å; C54-C62 WeakPolarHBondContact CB-SG 3.36Å; C54-C62 WeakPolarHBondContact SG-CB 3.49Å; C54-C62 CovalentContact SG-SG 2.02Å; C54-C62 PolarHBondContact SG-SG 3.09Å; Q55-C62 CarbonylContact O-C 3.5Å; Q55-C62 VanDerWaalsContact O-CA 3.23Å; Q55-C62 WeakPolarHBondContact O-CA 3.46Å; Q55-C62 WeakPolarHBondContact O-CB 3.38Å; T58-C62 WeakPolarHBondContact O-CB 3.39Å; T58-C62 PolarHBondContact O-N 3.36Å; R59-C62 PolarHBondContact O-SG 3.28Å; C62-I108 HydrophobicContact CB-CD1 4.02Å
63	T	92.3	Very high	86.1	Confident	89 Å²	89	81.6 Å²	81.6	55%	0.546	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	117.3	173.6	-57.5	0	0	0	0	108.8	C54 Q55 L65	C54-T63 CarbonylContact C-O 3.59Å; C54-T63 WeakPolarHBondContact CA-O 3.13Å; C54-T63 PolarHBondContact SG-O 3.32Å; C54-T63 VanDerWaalsContact SG-O 3.34Å; Q55-T63 PolarHBondContact N-O 3.3Å; Q55-T63 PolarHBondContact O-N 3.07Å; T63-L65 HydrophobicContact CG2-CD2 4.29Å; T63-L65 PolarHBondContact O-N 3.13Å
64	S	92.3	Very high	84.6	Confident	62 Å²	62	85.1 Å²	85.1	43%	0.434	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	125.7	176	-172.5	0	0	0	0	109.8	C54	C54-S64 PolarHBondContact SG-N 3.23Å; C54-S64 VanDerWaalsContact SG-N 3.43Å
65	L	94.2	Very high	83.4	Confident	59 Å²	59	89.3 Å²	89.3	31%	0.309	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	-32.9	-177.4	-62.9	-174.2	0	0	0	112.5	W53 Q55 T63 V81 Y107	W53-L65 PolarHBondContact O-N 3.08Å; Q55-L65 HydrophobicContact CB-CD1 3.8Å; Q55-L65 HydrophobicContact CB-CG 4.14Å; T63-L65 HydrophobicContact CG2-CD2 4.29Å; T63-L65 PolarHBondContact O-N 3.13Å; L65-V81 HydrophobicContact CB-CG1 4.35Å; L65-Y107 HydrophobicContact CD1-CD1 4.29Å; L65-Y107 HydrophobicContact CD1-CE1 3.75Å
66	A	93.9	Very high	82.1	Confident	8 Å²	8	90.2 Å²	90.2	7%	0.066	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	146.3	178.4	0	0	0	0	0	111.1	Y52 W53 V81 I83	Y52-A66 CarbonylContact C-O 3.6Å; Y52-A66 WeakPolarHBondContact CA-O 3.4Å; W53-A66 HydrophobicContact CB-CB 4.35Å; W53-A66 PolarHBondContact N-O 3.41Å; W53-A66 PolarHBondContact O-N 3.14Å; A66-V81 HydrophobicContact CB-CG1 4.04Å; A66-I83 HydrophobicContact CB-CB 3.9Å; A66-I83 HydrophobicContact CB-CG2 3.72Å
67	R	94.2	Very high	81	Confident	54 Å²	54	92.3 Å²	92.3	20%	0.204	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	156.2	176	-54.9	173.2	50.6	93.6	-5.2	111	K51 D69 D70 I83 E112	K51-R67 WeakPolarHBondContact O-CA 3.06Å; R67-D69 WeakPolarHBondContact CB-OD1 3.03Å; R67-D69 IonicContact CZ-OD1 3.16Å; R67-D69 IonicContact CZ-OD2 3.49Å; R67-D69 IonicContact NE-OD1 2.79Å; R67-D69 PolarHBondContact NE-OD1 2.76Å; R67-D69 IonicContact NE-OD2 2.93Å; R67-D69 IonicContact NH2-OD1 2.65Å; R67-D69 PolarHBondContact NH2-OD1 3.42Å; R67-D69 IonicContact NH2-OD2 3.3Å; R67-D69 PolarHBondContact NH2-OD2 3.49Å; R67-D70 HydrophobicContact CB-CB 4.29Å; R67-D70 WeakPolarHBondContact O-CB 3.01Å; R67-I83 VanDerWaalsContact C-CG2 3.45Å; R67-I83 VanDerWaalsContact O-CG2 3.26Å; R67-I83 WeakPolarHBondContact O-CG2 3.38Å; R67-E112 IonicContact CZ-OE2 3.6Å; R67-E112 IonicContact NH1-OE2 2.92Å; R67-E112 PolarHBondContact NH1-OE2 3.33Å; R67-E112 IonicContact NH2-OE2 2.7Å; R67-E112 PolarHBondContact NH2-OE2 2.95Å
68	T	93.3	Very high	80.4	Confident	54 Å²	54	89.9 Å²	89.9	33%	0.331	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-20.1	-179.1	54.9	0	0	0	0	113.9	K51 I83 D85	K51-T68 HydrophobicContact CB-CG2 3.7Å; K51-T68 HydrophobicContact CG-CG2 4.09Å; K51-T68 PolarHBondContact N-OG1 2.82Å; K51-T68 PolarHBondContact O-N 2.76Å; K51-T68 PolarHBondContact O-OG1 2.78Å; T68-I83 HydrophobicContact CG2-CD1 4.09Å; T68-I83 HydrophobicContact CG2-CG1 4.11Å; T68-I83 HydrophobicContact CG2-CG2 4.34Å; T68-D85 HydrophobicContact CG2-CB 3.88Å
69	D	91.2	Very high	80.4	Confident	67 Å²	67	90 Å²	90	36%	0.358	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	1.5	176.7	61.1	-20.6	0	0	0	113.3	V50 R67 H71	V50-D69 HydrophobicContact CG1-CB 4.18Å; V50-D69 VanDerWaalsContact CG1-OD1 3.31Å; V50-D69 WeakPolarHBondContact CG1-OD1 3.01Å; V50-D69 HydrophobicContact CG2-CB 3.89Å; R67-D69 WeakPolarHBondContact CB-OD1 3.03Å; R67-D69 IonicContact CZ-OD1 3.16Å; R67-D69 IonicContact CZ-OD2 3.49Å; R67-D69 IonicContact NE-OD1 2.79Å; R67-D69 PolarHBondContact NE-OD1 2.76Å; R67-D69 IonicContact NE-OD2 2.93Å; R67-D69 IonicContact NH2-OD1 2.65Å; R67-D69 PolarHBondContact NH2-OD1 3.42Å; R67-D69 IonicContact NH2-OD2 3.3Å; R67-D69 PolarHBondContact NH2-OD2 3.49Å; D69-H71 PolarHBondContact O-CD2 3.17Å; D69-H71 PolarHBondContact O-N 3.43Å
70	D	87.2	Confident	81.1	Confident	66 Å²	66	90.3 Å²	90.3	35%	0.353	47%	0.471	S	S	.	.			trans	-75	107.7	-179.7	-96.7	13	0	0	0	111.4	R67 H72	R67-D70 HydrophobicContact CB-CB 4.29Å; R67-D70 WeakPolarHBondContact O-CB 3.01Å; D70-H72 PolarHBondContact O-N 3.26Å; D70-H72 VanDerWaalsContact O-N 3.17Å; D70-H72 IonicContact OD2-CD2 2.67Å; D70-H72 IonicContact OD2-CE1 2.93Å; D70-H72 IonicContact OD2-NE2 2.67Å; D70-H72 PolarHBondContact OD2-NE2 2.88Å
71	H	69.5	Low	81.8	Confident	187 Å²	187	84.5 Å²	84.5	87%	0.866	45%	0.446	S	S	*	.			trans	-84.6	81.3	174.6	-61.2	-69.1	0	0	0	111.4	D69	D69-H71 PolarHBondContact O-CD2 3.17Å; D69-H71 PolarHBondContact O-N 3.43Å
72	H	64.2	Low	82.4	Confident	104 Å²	104	77.2 Å²	77.2	48%	0.481	42%	0.417	S	S	.	.			trans	-95.3	142.3	174.6	-65.6	-73.2	0	0	0	111.9	D70 V74 K79	D70-H72 PolarHBondContact O-N 3.26Å; D70-H72 VanDerWaalsContact O-N 3.17Å; D70-H72 IonicContact OD2-CD2 2.67Å; D70-H72 IonicContact OD2-CE1 2.93Å; D70-H72 IonicContact OD2-NE2 2.67Å; D70-H72 PolarHBondContact OD2-NE2 2.88Å; H72-V74 PolarHBondContact O-N 3.04Å; H72-K79 PolarHBondContact CD2-NZ 2.62Å
73	L	60	Low	82.6	Confident	188 Å²	188	77.1 Å²	77.1	98%	0.984	41%	0.414	S	S	*	.	S	Bend	trans	-77.7	-4	178.4	-62.7	170.8	0	0	0	113.9
74	V	66.7	Low	82.7	Confident	75 Å²	75	79.6 Å²	79.6	46%	0.455	42%	0.417	S	S	.	.	S	Bend	trans	-96.8	136.1	-177	-177.9	0	0	0	0	109.4	H72 E78	H72-V74 PolarHBondContact O-N 3.04Å; V74-E78 HydrophobicContact CG1-CB 4.07Å
75	D	69.1	Low	82.9	Confident	92 Å²	92	78 Å²	78	49%	0.492	40%	0.404	S	S	.	.			trans	-53.5	126.8	176.9	-171.1	-30.2	0	0	0	110.1	A77 E78	D75-A77 PolarHBondContact O-N 2.85Å; D75-A77 VanDerWaalsContact OD1-CB 3.31Å; D75-A77 WeakPolarHBondContact OD1-CB 3.43Å; D75-A77 PolarHBondContact OD1-N 2.85Å; D75-E78 HydrophobicContact CB-CG 4.22Å; D75-E78 PolarHBondContact O-N 2.82Å
76	P	68.4	Low	83	Confident	82 Å²	82	76.8 Å²	76.8	53%	0.532	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-49.4	-29.4	173.4	-27.7	34.6	0	0	0	114.2	E78 K79	P76-E78 VanDerWaalsContact C-N 3.3Å; P76-E78 PolarHBondContact O-N 3.5Å; P76-K79 PolarHBondContact O-N 2.91Å
77	A	67.4	Low	83	Confident	58 Å²	58	78.1 Å²	78.1	48%	0.479	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-66.7	-29	177.1	0	0	0	0	0	113.3	D75 K97	D75-A77 PolarHBondContact O-N 2.85Å; D75-A77 VanDerWaalsContact OD1-CB 3.31Å; D75-A77 WeakPolarHBondContact OD1-CB 3.43Å; D75-A77 PolarHBondContact OD1-N 2.85Å; A77-K97 PolarHBondContact O-NZ 2.04Å
78	E	73.6	Confident	83	Confident	154 Å²	154	78 Å²	78	72%	0.72	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-86.3	-13.2	179.9	-65	-174.9	168.8	0	0	112.7	V74 D75 P76	V74-E78 HydrophobicContact CG1-CB 4.07Å; D75-E78 HydrophobicContact CB-CG 4.22Å; D75-E78 PolarHBondContact O-N 2.82Å; P76-E78 VanDerWaalsContact C-N 3.3Å; P76-E78 PolarHBondContact O-N 3.5Å
79	K	82.9	Confident	83	Confident	57 Å²	57	81.9 Å²	81.9	25%	0.248	43%	0.425	C	S	.	.			trans	-74.2	138.5	177.7	-64.7	-173	-176.4	178.8	0	111.1	H72 P76 V81	H72-K79 PolarHBondContact CD2-NZ 2.62Å; P76-K79 PolarHBondContact O-N 2.91Å; K79-V81 VanDerWaalsContact C-N 3.26Å; K79-V81 WeakPolarHBondContact CB-O 3.43Å; K79-V81 PolarHBondContact O-N 2.87Å
80	K	91.3	Very high	83.3	Confident	89 Å²	89	80.6 Å²	80.6	39%	0.387	42%	0.418	S	S	.	.	S	Bend	trans	-62.2	-36.8	170.5	-169.5	174.3	-173	-176.9	0	111.9	M96 K97 D98 E103	K80-M96 CarbonylContact O-C 3.45Å; K80-M96 WeakPolarHBondContact O-CA 3.46Å; K80-K97 VanDerWaalsContact CE-O 3.28Å; K80-K97 WeakPolarHBondContact CE-O 3.46Å; K80-K97 WeakPolarHBondContact CG-O 3.36Å; K80-K97 PolarHBondContact O-N 3.02Å; K80-D98 WeakPolarHBondContact CE-O 3.39Å; K80-E103 WeakPolarHBondContact CE-OE1 3.42Å; K80-E103 WeakPolarHBondContact CE-OE2 3.22Å; K80-E103 IonicContact NZ-OE1 2.67Å; K80-E103 PolarHBondContact NZ-OE1 3.01Å; K80-E103 IonicContact NZ-OE2 3.76Å; K80-E103 PolarHBondContact NZ-OE2 3.11Å
81	V	93.9	Very high	83.7	Confident	23 Å²	23	78 Å²	78	14%	0.139	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	123.3	175.9	-174.5	0	0	0	0	108.8	L65 A66 K79 V94 T95 M96	L65-V81 HydrophobicContact CB-CG1 4.35Å; A66-V81 HydrophobicContact CB-CG1 4.04Å; K79-V81 VanDerWaalsContact C-N 3.26Å; K79-V81 WeakPolarHBondContact CB-O 3.43Å; K79-V81 PolarHBondContact O-N 2.87Å; V81-V94 HydrophobicContact CG1-CG1 3.97Å; V81-T95 CarbonylContact C-O 3.59Å; V81-T95 WeakPolarHBondContact CA-O 3.25Å; V81-M96 HydrophobicContact CG1-CG 4.23Å; V81-M96 HydrophobicContact CG2-CE 4.32Å; V81-M96 HydrophobicContact CG2-CG 4.21Å
82	S	93.3	Very high	85.1	Confident	23 Å²	23	69.1 Å²	69.1	16%	0.161	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	146.8	175.4	61.1	0	0	0	0	110.5	V94 T95	S82-V94 CarbonylContact O-C 3.59Å; S82-V94 WeakPolarHBondContact O-CA 2.88Å; S82-T95 PolarHBondContact N-O 3.46Å; S82-T95 PolarHBondContact O-N 3.05Å; S82-T95 WeakPolarHBondContact OG-CB 3.35Å
83	I	95.1	Very high	86.6	Confident	29 Å²	29	65.9 Å²	65.9	15%	0.149	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	137.9	175.5	-171.4	168.9	0	0	0	109	K51 A66 R67 T68 F92 T93 V94	K51-I83 HydrophobicContact CB-CD1 4.12Å; A66-I83 HydrophobicContact CB-CB 3.9Å; A66-I83 HydrophobicContact CB-CG2 3.72Å; R67-I83 VanDerWaalsContact C-CG2 3.45Å; R67-I83 VanDerWaalsContact O-CG2 3.26Å; R67-I83 WeakPolarHBondContact O-CG2 3.38Å; T68-I83 HydrophobicContact CG2-CD1 4.09Å; T68-I83 HydrophobicContact CG2-CG1 4.11Å; T68-I83 HydrophobicContact CG2-CG2 4.34Å; I83-F92 HydrophobicContact CD1-CD2 3.77Å; I83-F92 HydrophobicContact CD1-CE2 4.08Å; I83-F92 HydrophobicContact CG1-CD2 4.06Å; I83-T93 WeakPolarHBondContact CA-O 3.47Å; I83-V94 HydrophobicContact CD1-CG2 4.28Å; I83-V94 HydrophobicContact CG1-CG2 4.15Å
84	F	94.3	Very high	88.4	Confident	140 Å²	140	56.9 Å²	56.9	61%	0.614	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.5	132.1	177.5	175.5	-101.6	0	0	0	108.9	D86 F92 T93	F84-D86 HydrophobicContact CE1-CB 4.1Å; F84-F92 CarbonylContact O-C 3.58Å; F84-F92 WeakPolarHBondContact O-CA 3.4Å; F84-F92 WeakPolarHBondContact O-CB 3.38Å; F84-T93 PolarHBondContact N-O 3.04Å; F84-T93 PolarHBondContact O-N 2.84Å
85	D	96.8	Very high	89.8	Confident	30 Å²	30	55 Å²	55	16%	0.16	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	130.8	177.7	-171	16.6	0	0	0	110.1	Y42 K51 T68 P87 F92	Y42-D85 WeakPolarHBondContact CE1-OD1 3.41Å; Y42-D85 VanDerWaalsContact CZ-OD1 3.29Å; Y42-D85 PolarHBondContact OH-OD1 2.63Å; Y42-D85 PolarHBondContact OH-OD2 3.44Å; K51-D85 HydrophobicContact CG-CB 4.3Å; K51-D85 WeakPolarHBondContact CG-OD2 3.49Å; K51-D85 IonicContact NZ-OD1 2.88Å; K51-D85 IonicContact NZ-OD2 3.92Å; K51-D85 PolarHBondContact NZ-OD2 3.12Å; T68-D85 HydrophobicContact CG2-CB 3.88Å; D85-P87 WeakPolarHBondContact O-CD 3.33Å; D85-F92 HydrophobicContact CB-CB 4Å
86	D	96.2	Very high	91.1	Very high	33 Å²	33	50.7 Å²	50.7	18%	0.176	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	93.8	170.2	-173.8	-22	0	0	0	109.6	F84 V88 Q89 L90 V91	F84-D86 HydrophobicContact CE1-CB 4.1Å; D86-V88 PolarHBondContact O-N 2.82Å; D86-V88 WeakPolarHBondContact OD1-CA 3.31Å; D86-V88 WeakPolarHBondContact OD1-CB 3.39Å; D86-V88 PolarHBondContact OD1-N 3.04Å; D86-Q89 HydrophobicContact CB-CB 4.26Å; D86-Q89 PolarHBondContact O-N 3.07Å; D86-Q89 PolarHBondContact OD1-N 3.16Å; D86-Q89 VanDerWaalsContact OD2-CD 3.29Å; D86-Q89 WeakPolarHBondContact OD2-CG 3.39Å; D86-Q89 PolarHBondContact OD2-NE2 2.81Å; D86-L90 PolarHBondContact O-N 2.94Å; D86-V91 HydrophobicContact CB-CG1 4.42Å; D86-V91 PolarHBondContact N-O 2.94Å; D86-V91 PolarHBondContact O-N 2.94Å
87	P	94.4	Very high	92.4	Very high	35 Å²	35	50.1 Å²	50.1	23%	0.227	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-16	177.7	-22.7	34.7	0	0	0	115	Y42 A47 D85 L90	Y42-P87 VanDerWaalsContact OH-CA 3.29Å; Y42-P87 WeakPolarHBondContact OH-CA 3.47Å; A47-P87 HydrophobicContact CB-CB 4.21Å; D85-P87 WeakPolarHBondContact O-CD 3.33Å; P87-L90 WeakPolarHBondContact O-CD2 3.45Å
88	V	93.5	Very high	93.6	Very high	51 Å²	51	50.8 Å²	50.8	31%	0.309	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-39.3	177.4	-179.3	0	0	0	0	110	D86	D86-V88 PolarHBondContact O-N 2.82Å; D86-V88 WeakPolarHBondContact OD1-CA 3.31Å; D86-V88 WeakPolarHBondContact OD1-CB 3.39Å; D86-V88 PolarHBondContact OD1-N 3.04Å
89	Q	94.3	Very high	94.7	Very high	137 Å²	137	43.5 Å²	43.5	64%	0.64	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-6.3	176.8	-65.9	-173.8	54.6	0	0	113.6	D86 V91	D86-Q89 HydrophobicContact CB-CB 4.26Å; D86-Q89 PolarHBondContact O-N 3.07Å; D86-Q89 PolarHBondContact OD1-N 3.16Å; D86-Q89 VanDerWaalsContact OD2-CD 3.29Å; D86-Q89 WeakPolarHBondContact OD2-CG 3.39Å; D86-Q89 PolarHBondContact OD2-NE2 2.81Å; Q89-V91 VanDerWaalsContact C-N 3.28Å; Q89-V91 HydrophobicContact CB-CG1 3.73Å; Q89-V91 PolarHBondContact O-N 3.22Å
90	L	96.1	Very high	95.3	Very high	40 Å²	40	43 Å²	43	21%	0.209	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	42.5	179.6	-55.7	174.3	0	0	0	112.4	Y42 P44 A47 D86 P87	Y42-L90 HydrophobicContact CD2-CB 4.25Å; Y42-L90 HydrophobicContact CD2-CD2 4.32Å; Y42-L90 VanDerWaalsContact CE1-C 3.46Å; Y42-L90 HydrophobicContact CE2-CB 4.07Å; Y42-L90 HydrophobicContact CE2-CD2 3.75Å; Y42-L90 PolarHBondContact N-O 2.95Å; Y42-L90 WeakPolarHBondContact O-CB 3.35Å; P44-L90 HydrophobicContact CB-CD1 4.19Å; P44-L90 HydrophobicContact CB-CD2 4.4Å; P44-L90 HydrophobicContact CG-CD1 3.64Å; A47-L90 HydrophobicContact CB-CD2 4.4Å; D86-L90 PolarHBondContact O-N 2.94Å; P87-L90 WeakPolarHBondContact O-CD2 3.45Å
91	V	97.2	Very high	95.4	Very high	11 Å²	11	43.2 Å²	43.2	7%	0.067	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	135.3	-178.7	63.7	0	0	0	0	109	P39 C40 D86 Q89	P39-V91 HydrophobicContact CB-CG2 3.96Å; C40-V91 WeakPolarHBondContact O-CA 3.34Å; D86-V91 HydrophobicContact CB-CG1 4.42Å; D86-V91 PolarHBondContact N-O 2.94Å; D86-V91 PolarHBondContact O-N 2.94Å; Q89-V91 VanDerWaalsContact C-N 3.28Å; Q89-V91 HydrophobicContact CB-CG1 3.73Å; Q89-V91 PolarHBondContact O-N 3.22Å
92	F	97.6	Very high	95.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	144.5	162.3	67.3	-87.3	0	0	0	109.3	V22 C40 Y42 K51 I83 F84 D85 V94 C109	V22-F92 HydrophobicContact CG1-CE1 4.21Å; V22-F92 HydrophobicContact CG1-CZ 4.46Å; C40-F92 HydrophobicContact CB-CD1 3.8Å; C40-F92 HydrophobicContact CB-CD2 3.82Å; C40-F92 HydrophobicContact CB-CE1 3.4Å; C40-F92 HydrophobicContact CB-CE2 3.44Å; C40-F92 VanDerWaalsContact CB-CE2 3.44Å; C40-F92 HydrophobicContact CB-CG 4.01Å; C40-F92 HydrophobicContact CB-CZ 3.23Å; C40-F92 PolarHBondContact N-O 2.85Å; C40-F92 WeakPolarHBondContact O-CD1 3.35Å; C40-F92 PolarHBondContact O-N 2.92Å; C40-F92 WeakPolarHBondContact SG-CE2 3.43Å; Y42-F92 AromaticContact CD1-CD1 3.68Å; Y42-F92 HydrophobicContact CD1-CD1 3.68Å; Y42-F92 HydrophobicContact CD1-CE1 4.23Å; Y42-F92 HydrophobicContact CE1-CB 4.44Å; Y42-F92 AromaticContact CE1-CD1 3.88Å; Y42-F92 HydrophobicContact CE1-CD1 3.88Å; K51-F92 HydrophobicContact CB-CB 4.19Å; K51-F92 HydrophobicContact CB-CD1 3.73Å; K51-F92 HydrophobicContact CB-CD2 3.91Å; K51-F92 HydrophobicContact CB-CE1 3.96Å; K51-F92 HydrophobicContact CB-CE2 4.1Å; K51-F92 HydrophobicContact CB-CG 3.69Å; K51-F92 HydrophobicContact CB-CZ 4.11Å; K51-F92 HydrophobicContact CD-CD1 3.7Å; K51-F92 HydrophobicContact CD-CE1 3.88Å; K51-F92 HydrophobicContact CD-CG 4.43Å; K51-F92 HydrophobicContact CG-CB 4Å; K51-F92 HydrophobicContact CG-CD1 3.57Å; K51-F92 HydrophobicContact CG-CE1 4.09Å; K51-F92 HydrophobicContact CG-CG 3.8Å; I83-F92 HydrophobicContact CD1-CD2 3.77Å; I83-F92 HydrophobicContact CD1-CE2 4.08Å; I83-F92 HydrophobicContact CG1-CD2 4.06Å; F84-F92 CarbonylContact O-C 3.58Å; F84-F92 WeakPolarHBondContact O-CA 3.4Å; F84-F92 WeakPolarHBondContact O-CB 3.38Å; D85-F92 HydrophobicContact CB-CB 4Å; F92-V94 HydrophobicContact CD2-CG2 4.25Å; F92-V94 HydrophobicContact CE2-CG2 4.29Å; F92-C109 HydrophobicContact CE2-CB 4.28Å; F92-C109 HydrophobicContact CZ-CB 3.76Å
93	T	97.2	Very high	95.4	Very high	36 Å²	36	49 Å²	49	22%	0.221	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	131.5	-174.5	-53.8	0	0	0	0	109.2	T37 I38 I83 F84	T37-T93 HydrophobicContact CG2-CG2 3.13Å; I38-T93 WeakPolarHBondContact O-CA 3.45Å; I83-T93 WeakPolarHBondContact CA-O 3.47Å; F84-T93 PolarHBondContact N-O 3.04Å; F84-T93 PolarHBondContact O-N 2.84Å
94	V	97	Very high	95.5	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	123.8	173.4	-177.2	0	0	0	0	108.5	T37 I38 W53 V81 S82 I83 F92 M96	T37-V94 CarbonylContact C-O 3.54Å; T37-V94 WeakPolarHBondContact CA-O 3.47Å; I38-V94 PolarHBondContact N-O 3.39Å; I38-V94 PolarHBondContact O-N 3.27Å; W53-V94 HydrophobicContact CB-CG1 4.15Å; W53-V94 HydrophobicContact CB-CG2 3.91Å; W53-V94 HydrophobicContact CD2-CB 4.23Å; W53-V94 HydrophobicContact CD2-CG1 3.81Å; W53-V94 HydrophobicContact CD2-CG2 3.92Å; W53-V94 HydrophobicContact CE3-CB 4.39Å; W53-V94 HydrophobicContact CE3-CG1 4.46Å; W53-V94 HydrophobicContact CE3-CG2 3.84Å; W53-V94 HydrophobicContact CG-CB 4.39Å; W53-V94 HydrophobicContact CG-CG1 3.65Å; W53-V94 HydrophobicContact CG-CG2 3.99Å; V81-V94 HydrophobicContact CG1-CG1 3.97Å; S82-V94 CarbonylContact O-C 3.59Å; S82-V94 WeakPolarHBondContact O-CA 2.88Å; I83-V94 HydrophobicContact CD1-CG2 4.28Å; I83-V94 HydrophobicContact CG1-CG2 4.15Å; F92-V94 HydrophobicContact CD2-CG2 4.25Å; F92-V94 HydrophobicContact CE2-CG2 4.29Å; V94-M96 HydrophobicContact CG1-CG 4.24Å
95	T	96.1	Very high	95.6	Very high	34 Å²	34	44.2 Å²	44.2	21%	0.209	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	124.5	173.9	-55.8	0	0	0	0	109.1	L36 V81 S82 K97	L36-T95 CarbonylContact O-C 3.58Å; L36-T95 WeakPolarHBondContact O-CA 3.36Å; V81-T95 CarbonylContact C-O 3.59Å; V81-T95 WeakPolarHBondContact CA-O 3.25Å; S82-T95 PolarHBondContact N-O 3.46Å; S82-T95 PolarHBondContact O-N 3.05Å; S82-T95 WeakPolarHBondContact OG-CB 3.35Å; T95-K97 HydrophobicContact CG2-CG 4.28Å
96	M	96.5	Very high	95.6	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.01	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	126.2	175.3	-61	179.8	76.1	0	0	108.6	S35 L36 W53 K80 V81 V94 L99 Y107	S35-M96 CarbonylContact C-O 3.6Å; S35-M96 WeakPolarHBondContact CA-O 3.3Å; S35-M96 WeakPolarHBondContact CB-O 3.43Å; L36-M96 PolarHBondContact N-O 2.98Å; L36-M96 PolarHBondContact O-N 2.02Å; W53-M96 HydrophobicContact CZ2-SD 3.96Å; K80-M96 CarbonylContact O-C 3.45Å; K80-M96 WeakPolarHBondContact O-CA 3.46Å; V81-M96 HydrophobicContact CG1-CG 4.23Å; V81-M96 HydrophobicContact CG2-CE 4.32Å; V81-M96 HydrophobicContact CG2-CG 4.21Å; V94-M96 HydrophobicContact CG1-CG 4.24Å; M96-L99 HydrophobicContact CB-CD1 3.94Å; M96-L99 HydrophobicContact CB-CD2 4.27Å; M96-L99 HydrophobicContact CB-CG 4.16Å; M96-L99 HydrophobicContact CE-CD2 3.71Å; M96-L99 HydrophobicContact SD-CD2 4.48Å; M96-Y107 HydrophobicContact CE-CE1 3.63Å; M96-Y107 HydrophobicContact SD-CE1 4.25Å
97	K	94.9	Very high	95.6	Very high	71 Å²	71	46.3 Å²	46.3	31%	0.309	24%	0.241	S	C	.	.			trans	-110.8	150.5	-175.8	-58.9	-179.8	-174.3	179	0	111.6	S35 A77 K80 T95 L99	S35-K97 WeakPolarHBondContact OG-CA 3.25Å; A77-K97 PolarHBondContact O-NZ 2.04Å; K80-K97 VanDerWaalsContact CE-O 3.28Å; K80-K97 WeakPolarHBondContact CE-O 3.46Å; K80-K97 WeakPolarHBondContact CG-O 3.36Å; K80-K97 PolarHBondContact O-N 3.02Å; T95-K97 HydrophobicContact CG2-CG 4.28Å; K97-L99 VanDerWaalsContact C-N 3.34Å; K97-L99 PolarHBondContact O-N 2.92Å
98	D	94	Very high	95.7	Very high	71 Å²	71	44.7 Å²	44.7	38%	0.38	23%	0.23	S	C	.	.	S	Bend	trans	49.5	52.5	173.8	-169.6	35.5	0	0	0	112.8	G33 G34 K80 K100	G33-D98 WeakPolarHBondContact CA-OD1 3.25Å; G34-D98 PolarHBondContact O-N 3.37Å; G34-D98 VanDerWaalsContact O-N 3.16Å; K80-D98 WeakPolarHBondContact CE-O 3.39Å; D98-K100 IonicContact OD1-NZ 2.91Å; D98-K100 PolarHBondContact OD1-NZ 3.45Å; D98-K100 WeakPolarHBondContact OD2-CE 3.28Å; D98-K100 IonicContact OD2-NZ 2.66Å; D98-K100 PolarHBondContact OD2-NZ 3.39Å
99	L	95.6	Very high	95.8	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	22%	0.215	C	C	.	.			trans	-67.9	131.7	-174.7	-86.1	161.9	0	0	0	111.7	V30 E32 G33 G34 L36 M96 K97 E103 V129	V30-L99 HydrophobicContact CG1-CB 4.11Å; V30-L99 HydrophobicContact CG1-CD1 3.62Å; V30-L99 HydrophobicContact CG1-CG 4.5Å; E32-L99 WeakPolarHBondContact CA-O 3.23Å; G33-L99 PolarHBondContact N-O 2.79Å; G34-L99 PolarHBondContact O-N 3.08Å; L36-L99 HydrophobicContact CB-CD1 3.83Å; M96-L99 HydrophobicContact CB-CD1 3.94Å; M96-L99 HydrophobicContact CB-CD2 4.27Å; M96-L99 HydrophobicContact CB-CG 4.16Å; M96-L99 HydrophobicContact CE-CD2 3.71Å; M96-L99 HydrophobicContact SD-CD2 4.48Å; K97-L99 VanDerWaalsContact C-N 3.34Å; K97-L99 PolarHBondContact O-N 2.92Å; L99-E103 WeakPolarHBondContact CA-OE2 3.34Å; L99-E103 HydrophobicContact CD2-CB 3.94Å; L99-V129 HydrophobicContact CB-CG1 4.45Å; L99-V129 HydrophobicContact CB-CG2 3.93Å; L99-V129 HydrophobicContact CD2-CG2 4.27Å
100	K	95	Very high	95.8	Very high	48 Å²	48	35.7 Å²	35.7	21%	0.209	19%	0.185	C	C	.	.			trans	-105.5	159.1	178.6	-54.5	-51.3	-177.4	-164.8	0	111.6	D98 D102 E103 V129 E156	D98-K100 IonicContact OD1-NZ 2.91Å; D98-K100 PolarHBondContact OD1-NZ 3.45Å; D98-K100 WeakPolarHBondContact OD2-CE 3.28Å; D98-K100 IonicContact OD2-NZ 2.66Å; D98-K100 PolarHBondContact OD2-NZ 3.39Å; K100-D102 VanDerWaalsContact C-N 3.27Å; K100-D102 WeakPolarHBondContact CB-OD1 3.24Å; K100-D102 PolarHBondContact O-N 2.91Å; K100-E103 PolarHBondContact N-OE2 2.7Å; K100-E103 WeakPolarHBondContact O-CB 3.4Å; K100-E103 PolarHBondContact O-N 2.77Å; K100-V129 WeakPolarHBondContact O-CG2 3.15Å; K100-E156 VanDerWaalsContact CD-OE1 3.29Å; K100-E156 WeakPolarHBondContact CD-OE1 3.13Å; K100-E156 WeakPolarHBondContact CE-OE1 3.17Å; K100-E156 IonicContact NZ-OE1 3.94Å; K100-E156 PolarHBondContact NZ-OE1 3.19Å; K100-E156 IonicContact NZ-OE2 3.8Å; K100-E156 PolarHBondContact NZ-OE2 3.13Å
101	E	93.4	Very high	95.7	Very high	93 Å²	93	33.8 Å²	33.8	44%	0.435	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-56.1	-39.1	-173.8	-171.9	177.3	-175.8	0	0	113.5	E103 S104 R157	E101-E103 PolarHBondContact O-N 3.26Å; E101-S104 VanDerWaalsContact O-CB 3.26Å; E101-S104 WeakPolarHBondContact O-CB 3.27Å; E101-S104 PolarHBondContact O-N 3.09Å; E101-S104 VanDerWaalsContact O-N 3.13Å; E101-S104 PolarHBondContact O-OG 3.34Å; E101-R157 IonicContact OE2-CZ 3.91Å; E101-R157 IonicContact OE2-NH1 2.7Å; E101-R157 IonicContact OE2-NH2 2.75Å; E101-R157 PolarHBondContact OE2-NH2 3.33Å
102	D	93.3	Very high	95.4	Very high	136 Å²	136	36.8 Å²	36.8	73%	0.727	19%	0.188	S	C	*	.	G	3₁₀ helix	trans	-70.7	-13.1	179	63.6	-30.7	0	0	0	114	K100 S104	K100-D102 VanDerWaalsContact C-N 3.27Å; K100-D102 WeakPolarHBondContact CB-OD1 3.24Å; K100-D102 PolarHBondContact O-N 2.91Å; D102-S104 VanDerWaalsContact C-N 3.27Å
103	E	94.9	Very high	95	Very high	32 Å²	32	38.2 Å²	38.2	15%	0.15	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-85.3	-0.8	172.7	-59.4	179.2	114.1	0	0	112.4	K80 L99 K100 E101 G105 Y107	K80-E103 WeakPolarHBondContact CE-OE1 3.42Å; K80-E103 WeakPolarHBondContact CE-OE2 3.22Å; K80-E103 IonicContact NZ-OE1 2.67Å; K80-E103 PolarHBondContact NZ-OE1 3.01Å; K80-E103 IonicContact NZ-OE2 3.76Å; K80-E103 PolarHBondContact NZ-OE2 3.11Å; L99-E103 WeakPolarHBondContact CA-OE2 3.34Å; L99-E103 HydrophobicContact CD2-CB 3.94Å; K100-E103 PolarHBondContact N-OE2 2.7Å; K100-E103 WeakPolarHBondContact O-CB 3.4Å; K100-E103 PolarHBondContact O-N 2.77Å; E101-E103 PolarHBondContact O-N 3.26Å; E103-G105 PolarHBondContact O-N 3.18Å; E103-Y107 WeakPolarHBondContact O-CE2 3.45Å; E103-Y107 PolarHBondContact O-OH 2.95Å
104	S	96.7	Very high	93.7	Very high	45 Å²	45	38.4 Å²	38.4	32%	0.315	20%	0.204	S	C	.	.			trans	-62.7	133.7	169.1	-60.2	0	0	0	0	110.8	E101 D102 V127 V129	E101-S104 VanDerWaalsContact O-CB 3.26Å; E101-S104 WeakPolarHBondContact O-CB 3.27Å; E101-S104 PolarHBondContact O-N 3.09Å; E101-S104 VanDerWaalsContact O-N 3.13Å; E101-S104 PolarHBondContact O-OG 3.34Å; D102-S104 VanDerWaalsContact C-N 3.27Å; S104-V127 CarbonylContact C-O 3.55Å; S104-V127 VanDerWaalsContact CA-O 3.31Å; S104-V127 WeakPolarHBondContact CA-O 3.3Å; S104-V129 WeakPolarHBondContact OG-CB 3.17Å; S104-V129 PolarHBondContact OG-N 2.83Å
105	G	95.9	Very high	92	Very high	22 Å²	22	41.4 Å²	41.4	23%	0.227	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.3	-169.8	-178.2	0	0	0	0	0	115	E103 Y107 K126 V127	E103-G105 PolarHBondContact O-N 3.18Å; G105-Y107 WeakPolarHBondContact O-CD2 3.22Å; G105-K126 CarbonylContact O-C 3.47Å; G105-K126 WeakPolarHBondContact O-CA 3.43Å; G105-V127 PolarHBondContact N-O 3.48Å; G105-V127 PolarHBondContact O-N 3.41Å
106	W	96.8	Very high	90	Very high	107 Å²	107	46.2 Å²	46.2	41%	0.405	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	135.7	172.9	-71.9	96.9	0	0	0	109.7	G56 R57 F124 K126	G56-W106 PolarHBondContact N-O 2.73Å; G56-W106 CarbonylContact O-C 3.48Å; G56-W106 VanDerWaalsContact O-CB 3.29Å; G56-W106 WeakPolarHBondContact O-CB 3.45Å; R57-W106 HydrophobicContact CG-CB 4.2Å; R57-W106 HydrophobicContact CG-CG 4.22Å; W106-F124 HydrophobicContact CE3-CB 4.2Å; W106-F124 HydrophobicContact CZ3-CB 4.33Å; W106-K126 HydrophobicContact CD2-CB 4.41Å; W106-K126 HydrophobicContact CE3-CB 4.05Å; W106-K126 HydrophobicContact CH2-CB 4.23Å; W106-K126 HydrophobicContact CH2-CD 4.5Å; W106-K126 HydrophobicContact CZ2-CD 4.23Å; W106-K126 HydrophobicContact CZ3-CB 3.96Å
107	Y	97.2	Very high	88.1	Confident	1 Å²	1	57.6 Å²	57.6	0%	0.004	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	160.3	178.6	-68.4	-97.1	0	0	0	110	W53 C54 Q55 L65 M96 E103 G105 F124 T125 V127	W53-Y107 HydrophobicContact CD2-CD1 4.48Å; W53-Y107 AromaticContact CE2-CD1 3.45Å; W53-Y107 VanDerWaalsContact CE2-CD1 3.45Å; W53-Y107 AromaticContact CE2-CG 3.96Å; W53-Y107 HydrophobicContact CH2-CD1 4.38Å; W53-Y107 HydrophobicContact CH2-CG 4.06Å; W53-Y107 AromaticContact CZ2-CD1 3.4Å; W53-Y107 HydrophobicContact CZ2-CD1 3.4Å; W53-Y107 HydrophobicContact CZ2-CD2 4.38Å; W53-Y107 HydrophobicContact CZ2-CE1 4.29Å; W53-Y107 AromaticContact CZ2-CG 3.43Å; W53-Y107 HydrophobicContact CZ2-CG 3.43Å; W53-Y107 VanDerWaalsContact CZ2-CG 3.43Å; W53-Y107 AromaticContact NE1-CD1 3.35Å; W53-Y107 AromaticContact NE1-CE1 3.78Å; C54-Y107 CarbonylContact O-C 3.5Å; C54-Y107 VanDerWaalsContact O-CA 3.25Å; C54-Y107 WeakPolarHBondContact O-CA 3.39Å; Q55-Y107 HydrophobicContact CB-CD1 3.85Å; Q55-Y107 HydrophobicContact CB-CE1 3.66Å; Q55-Y107 HydrophobicContact CG-CD1 4.02Å; Q55-Y107 HydrophobicContact CG-CE1 3.58Å; Q55-Y107 HydrophobicContact CG-CE2 4.37Å; Q55-Y107 PolarHBondContact NE2-OH 3.23Å; L65-Y107 HydrophobicContact CD1-CD1 4.29Å; L65-Y107 HydrophobicContact CD1-CE1 3.75Å; M96-Y107 HydrophobicContact CE-CE1 3.63Å; M96-Y107 HydrophobicContact SD-CE1 4.25Å; E103-Y107 WeakPolarHBondContact O-CE2 3.45Å; E103-Y107 PolarHBondContact O-OH 2.95Å; G105-Y107 WeakPolarHBondContact O-CD2 3.22Å; Y107-F124 CarbonylContact O-C 3.6Å; Y107-F124 WeakPolarHBondContact O-CA 3.43Å; Y107-T125 PolarHBondContact N-O 3.44Å; Y107-T125 PolarHBondContact O-N 2.97Å; Y107-V127 HydrophobicContact CD2-CB 3.76Å; Y107-V127 HydrophobicContact CD2-CG2 3.52Å; Y107-V127 HydrophobicContact CE2-CB 3.63Å; Y107-V127 HydrophobicContact CE2-CG1 4.48Å; Y107-V127 HydrophobicContact CE2-CG2 3.82Å; Y107-V127 HydrophobicContact CG-CG2 4.21Å
108	I	96.2	Very high	86.8	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	119.9	-173.5	-53.8	177	0	0	0	108.5	C54 C62 T122 T123 F124	C54-I108 HydrophobicContact CB-CB 4.09Å; C54-I108 PolarHBondContact N-O 3.22Å; C54-I108 PolarHBondContact O-N 2.83Å; C62-I108 HydrophobicContact CB-CD1 4.02Å; I108-T122 HydrophobicContact CG2-CG2 3.96Å; I108-T123 WeakPolarHBondContact CA-O 3.4Å; I108-F124 HydrophobicContact CD1-CD1 4.08Å; I108-F124 HydrophobicContact CD1-CE1 3.45Å; I108-F124 VanDerWaalsContact CD1-CE1 3.45Å; I108-F124 HydrophobicContact CD1-CZ 4Å; I108-F124 HydrophobicContact CG1-CD1 3.66Å; I108-F124 HydrophobicContact CG1-CE1 3.58Å; I108-F124 HydrophobicContact CG1-CG 4.48Å; I108-F124 HydrophobicContact CG1-CZ 4.34Å
109	C	96.1	Very high	86.2	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	123.9	157	-61.7	0	0	0	0	107.3	V22 C40 F92 T122 T123	V22-C109 HydrophobicContact CG1-CB 3.92Å; C40-C109 HydrophobicContact CB-CB 3.61Å; C40-C109 WeakPolarHBondContact CB-SG 3.27Å; C40-C109 WeakPolarHBondContact SG-CB 3.33Å; C40-C109 CovalentContact SG-SG 2.04Å; C40-C109 PolarHBondContact SG-SG 3.02Å; F92-C109 HydrophobicContact CE2-CB 4.28Å; F92-C109 HydrophobicContact CZ-CB 3.76Å; C109-T122 VanDerWaalsContact O-CA 3.27Å; C109-T122 WeakPolarHBondContact O-CA 3.19Å; C109-T123 HydrophobicContact CB-CG2 3.65Å; C109-T123 PolarHBondContact N-O 3.39Å; C109-T123 PolarHBondContact O-N 3.01Å
110	G	94.3	Very high	85.7	Confident	0 Å²	0	62 Å²	62	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	144	179.8	0	0	0	0	0	114	K51 Y52	K51-G110 CarbonylContact C-O 3.58Å; K51-G110 WeakPolarHBondContact CA-O 3.49Å; Y52-G110 WeakPolarHBondContact CD1-O 3.45Å; Y52-G110 PolarHBondContact N-O 2.98Å; Y52-G110 PolarHBondContact O-N 2.91Å
111	V	94.3	Very high	85.6	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	119.3	166	175.3	0	0	0	0	108	V22 Y46 Y49 V50 K51 I113 D120 D121	V22-V111 HydrophobicContact CG2-CB 4.06Å; V22-V111 HydrophobicContact CG2-CG2 3.34Å; Y46-V111 HydrophobicContact CD1-CG1 3.77Å; Y46-V111 HydrophobicContact CD2-CG2 4.5Å; Y46-V111 HydrophobicContact CE1-CG1 4.44Å; Y46-V111 HydrophobicContact CG-CG1 3.92Å; Y46-V111 HydrophobicContact CG-CG2 4.31Å; Y49-V111 VanDerWaalsContact CB-CG1 3.49Å; Y49-V111 HydrophobicContact CG-CG1 4.18Å; V50-V111 WeakPolarHBondContact O-CA 3.23Å; K51-V111 HydrophobicContact CD-CB 4.42Å; K51-V111 HydrophobicContact CD-CG1 4.47Å; K51-V111 HydrophobicContact CD-CG2 3.61Å; V111-I113 HydrophobicContact CG1-CG1 4.18Å; V111-I113 PolarHBondContact O-N 3.35Å; V111-D120 WeakPolarHBondContact O-CA 3.44Å; V111-D120 WeakPolarHBondContact O-CB 3.41Å; V111-D121 PolarHBondContact N-O 2.79Å; V111-D121 PolarHBondContact O-N 2.88Å
112	E	91.4	Very high	85.5	Confident	73 Å²	73	57.9 Å²	57.9	34%	0.341	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	105.4	177	-175.4	174	159.6	0	0	110.3	Y49 V50 Y52 R67 D120	Y49-E112 VanDerWaalsContact CD1-O 3.25Å; Y49-E112 WeakPolarHBondContact CD1-O 3.16Å; V50-E112 HydrophobicContact CB-CB 4.25Å; V50-E112 PolarHBondContact O-N 2.7Å; Y52-E112 HydrophobicContact CD1-CB 4.24Å; Y52-E112 HydrophobicContact CE1-CB 4.22Å; R67-E112 IonicContact CZ-OE2 3.6Å; R67-E112 IonicContact NH1-OE2 2.92Å; R67-E112 PolarHBondContact NH1-OE2 3.33Å; R67-E112 IonicContact NH2-OE2 2.7Å; R67-E112 PolarHBondContact NH2-OE2 2.95Å; E112-D120 WeakPolarHBondContact CA-OD1 3.33Å
113	I	87.3	Confident	85.6	Confident	30 Å²	30	52.4 Å²	52.4	15%	0.154	29%	0.293	C	S	.	.			trans	-86.9	-28.1	-176	-63.4	173.1	0	0	0	111.4	Y46 Y49 V111 K118 D120 D121	Y46-I113 HydrophobicContact CD1-CD1 4.48Å; Y46-I113 HydrophobicContact CD1-CG1 4.4Å; Y46-I113 HydrophobicContact CE1-CD1 3.54Å; Y46-I113 HydrophobicContact CE1-CG1 3.89Å; Y49-I113 HydrophobicContact CE1-CB 4.32Å; Y49-I113 HydrophobicContact CE1-CG2 4.06Å; Y49-I113 WeakPolarHBondContact CE1-O 3.46Å; V111-I113 HydrophobicContact CG1-CG1 4.18Å; V111-I113 PolarHBondContact O-N 3.35Å; I113-K118 HydrophobicContact CG2-CB 4.32Å; I113-K118 HydrophobicContact CG2-CD 4.15Å; I113-D120 PolarHBondContact N-OD1 3Å; I113-D121 HydrophobicContact CD1-CB 3.78Å
114	G	70.8	Confident	85.6	Confident	40 Å²	40	54.5 Å²	54.5	41%	0.412	30%	0.302	S	S	.	.			trans	74.9	151.2	179.5	0	0	0	0	0	115
115	G	60.6	Low	85.6	Confident	63 Å²	63	52.4 Å²	52.4	65%	0.649	29%	0.287	S	S	*	.	S	Bend	trans	106.4	144.6	175	0	0	0	0	0	114.4	W117 K118	G115-W117 PolarHBondContact O-N 3.1Å; G115-K118 PolarHBondContact O-N 2.91Å
116	V	54.2	Low	85.6	Confident	135 Å²	135	55.1 Å²	55.1	82%	0.818	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-21.3	-177.3	-177.8	0	0	0	0	113.5
117	W	57.8	Low	85.7	Confident	241 Å²	241	50 Å²	50	91%	0.913	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.9	0.9	-170.5	-54.3	103.4	0	0	0	114.5	G115	G115-W117 PolarHBondContact O-N 3.1Å
118	K	67.8	Low	85.7	Confident	140 Å²	140	54.8 Å²	54.8	61%	0.609	30%	0.295	S	S	*	.			trans	-125	118.9	-179.3	-70.9	-172.6	179.4	-176.8	0	110	I113 G115	I113-K118 HydrophobicContact CG2-CB 4.32Å; I113-K118 HydrophobicContact CG2-CD 4.15Å; G115-K118 PolarHBondContact O-N 2.91Å
119	A	79.9	Confident	85.7	Confident	71 Å²	71	55.2 Å²	55.2	59%	0.587	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-66.7	138	168.3	0	0	0	0	0	109.2	R59	R59-A119 VanDerWaalsContact NH1-CA 3.34Å; R59-A119 VanDerWaalsContact NH1-CB 3.34Å
120	D	86.9	Confident	85.6	Confident	25 Å²	25	58.1 Å²	58.1	13%	0.134	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-47.6	149	158	-60.6	-13.1	0	0	0	110.6	Y52 R59 V111 E112 I113 T122	Y52-D120 PolarHBondContact OH-OD2 2.7Å; R59-D120 VanDerWaalsContact CZ-CG 3.45Å; R59-D120 IonicContact CZ-OD2 3.29Å; R59-D120 VanDerWaalsContact CZ-OD2 3.29Å; R59-D120 IonicContact NE-OD2 3.35Å; R59-D120 PolarHBondContact NE-OD2 2.6Å; R59-D120 VanDerWaalsContact NH2-CB 3.34Å; R59-D120 VanDerWaalsContact NH2-N 3.15Å; R59-D120 IonicContact NH2-OD1 3.23Å; R59-D120 PolarHBondContact NH2-OD1 2.93Å; R59-D120 IonicContact NH2-OD2 2.79Å; R59-D120 PolarHBondContact NH2-OD2 3.17Å; V111-D120 WeakPolarHBondContact O-CA 3.44Å; V111-D120 WeakPolarHBondContact O-CB 3.41Å; E112-D120 WeakPolarHBondContact CA-OD1 3.33Å; I113-D120 PolarHBondContact N-OD1 3Å; D120-T122 HydrophobicContact CB-CG2 3.97Å
121	D	90.9	Very high	85.5	Confident	22 Å²	22	60.9 Å²	60.9	12%	0.118	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	121.9	171.3	-174.9	9.9	0	0	0	108.6	K21 V22 Y46 V111 I113	K21-D121 WeakPolarHBondContact CA-OD2 3.16Å; K21-D121 PolarHBondContact N-OD2 3.33Å; V22-D121 HydrophobicContact CG2-CB 4.13Å; V22-D121 WeakPolarHBondContact CG2-O 3.36Å; V22-D121 PolarHBondContact N-OD1 2.79Å; V22-D121 PolarHBondContact N-OD2 3.49Å; Y46-D121 HydrophobicContact CE2-CB 4.25Å; Y46-D121 WeakPolarHBondContact CE2-OD2 3.24Å; Y46-D121 WeakPolarHBondContact OH-CB 3.29Å; Y46-D121 PolarHBondContact OH-OD2 2.83Å; V111-D121 PolarHBondContact N-O 2.79Å; V111-D121 PolarHBondContact O-N 2.88Å; I113-D121 HydrophobicContact CD1-CB 3.78Å
122	T	92.7	Very high	85.5	Confident	32 Å²	32	61 Å²	61	20%	0.196	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	149.6	-170.9	67.7	0	0	0	0	111.6	Y52 I108 C109 D120	Y52-T122 WeakPolarHBondContact OH-CG2 3.38Å; I108-T122 HydrophobicContact CG2-CG2 3.96Å; C109-T122 VanDerWaalsContact O-CA 3.27Å; C109-T122 WeakPolarHBondContact O-CA 3.19Å; D120-T122 HydrophobicContact CB-CG2 3.97Å
123	T	94.7	Very high	85.6	Confident	21 Å²	21	58.6 Å²	58.6	13%	0.129	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	142.2	170.5	-174.3	0	0	0	0	110.1	V22 T24 I108 C109	V22-T123 HydrophobicContact CB-CG2 4.19Å; V22-T123 HydrophobicContact CG1-CG2 3.77Å; V22-T123 VanDerWaalsContact O-CB 3.28Å; V22-T123 WeakPolarHBondContact O-CB 3.45Å; T24-T123 HydrophobicContact CG2-CG2 3.55Å; I108-T123 WeakPolarHBondContact CA-O 3.4Å; C109-T123 HydrophobicContact CB-CG2 3.65Å; C109-T123 PolarHBondContact N-O 3.39Å; C109-T123 PolarHBondContact O-N 3.01Å
124	F	94.8	Very high	86	Confident	77 Å²	77	58.3 Å²	58.3	34%	0.338	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	143.7	-179.1	-66.5	-96.5	0	0	0	109.8	W106 Y107 I108	W106-F124 HydrophobicContact CE3-CB 4.2Å; W106-F124 HydrophobicContact CZ3-CB 4.33Å; Y107-F124 CarbonylContact O-C 3.6Å; Y107-F124 WeakPolarHBondContact O-CA 3.43Å; I108-F124 HydrophobicContact CD1-CD1 4.08Å; I108-F124 HydrophobicContact CD1-CE1 3.45Å; I108-F124 VanDerWaalsContact CD1-CE1 3.45Å; I108-F124 HydrophobicContact CD1-CZ 4Å; I108-F124 HydrophobicContact CG1-CD1 3.66Å; I108-F124 HydrophobicContact CG1-CE1 3.58Å; I108-F124 HydrophobicContact CG1-CG 4.48Å; I108-F124 HydrophobicContact CG1-CZ 4.34Å
125	T	96.6	Very high	87.2	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	152.1	169.5	-174.5	0	0	0	0	109.5	T24 E25 E26 F28 W53 Y107	T24-T125 HydrophobicContact CG2-CG2 4.32Å; E25-T125 WeakPolarHBondContact O-CB 3.49Å; E25-T125 PolarHBondContact O-OG1 3.34Å; E26-T125 CarbonylContact O-C 3.59Å; E26-T125 WeakPolarHBondContact O-CA 3.36Å; E26-T125 PolarHBondContact O-OG1 2.83Å; F28-T125 WeakPolarHBondContact CD2-OG1 3.33Å; W53-T125 HydrophobicContact CH2-CG2 3.51Å; W53-T125 HydrophobicContact CZ3-CG2 4.02Å; Y107-T125 PolarHBondContact N-O 3.44Å; Y107-T125 PolarHBondContact O-N 2.97Å
126	K	97.3	Very high	88.7	Confident	80 Å²	80	56.6 Å²	56.6	35%	0.348	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	122	178.3	-171	-179.9	178.4	-169.6	0	109.4	E26 E27 F28 G105 W106	E26-K126 PolarHBondContact O-N 3.43Å; E27-K126 CarbonylContact C-O 3.5Å; E27-K126 VanDerWaalsContact CA-O 3.25Å; E27-K126 WeakPolarHBondContact CA-O 3.42Å; E27-K126 HydrophobicContact CB-CB 4.41Å; E27-K126 HydrophobicContact CG-CB 4.3Å; F28-K126 PolarHBondContact N-O 2.84Å; G105-K126 CarbonylContact O-C 3.47Å; G105-K126 WeakPolarHBondContact O-CA 3.43Å; W106-K126 HydrophobicContact CD2-CB 4.41Å; W106-K126 HydrophobicContact CE3-CB 4.05Å; W106-K126 HydrophobicContact CH2-CB 4.23Å; W106-K126 HydrophobicContact CH2-CD 4.5Å; W106-K126 HydrophobicContact CZ2-CD 4.23Å; W106-K126 HydrophobicContact CZ3-CB 3.96Å
127	V	97.8	Very high	90.6	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	125	172.2	178.9	0	0	0	0	108.4	F28 L36 I38 S104 G105 Y107 V129	F28-V127 WeakPolarHBondContact O-CA 3.44Å; L36-V127 HydrophobicContact CD2-CG1 4.09Å; L36-V127 HydrophobicContact CD2-CG2 4.13Å; I38-V127 HydrophobicContact CD1-CG2 3.91Å; S104-V127 CarbonylContact C-O 3.55Å; S104-V127 VanDerWaalsContact CA-O 3.31Å; S104-V127 WeakPolarHBondContact CA-O 3.3Å; G105-V127 PolarHBondContact N-O 3.48Å; G105-V127 PolarHBondContact O-N 3.41Å; Y107-V127 HydrophobicContact CD2-CB 3.76Å; Y107-V127 HydrophobicContact CD2-CG2 3.52Å; Y107-V127 HydrophobicContact CE2-CB 3.63Å; Y107-V127 HydrophobicContact CE2-CG1 4.48Å; Y107-V127 HydrophobicContact CE2-CG2 3.82Å; Y107-V127 HydrophobicContact CG-CG2 4.21Å; V127-V129 HydrophobicContact CG1-CG2 4.44Å
128	K	97.2	Very high	92.3	Very high	101 Å²	101	45.5 Å²	45.5	44%	0.439	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	112.5	177	-174.1	-178.3	-179.6	-175.8	0	109.9	F28 A29 V30 I130	F28-K128 PolarHBondContact O-N 2.86Å; A29-K128 VanDerWaalsContact CA-O 3.3Å; A29-K128 WeakPolarHBondContact CA-O 3.42Å; V30-K128 PolarHBondContact N-O 3.32Å; K128-I130 HydrophobicContact CD-CG1 4.35Å; K128-I130 HydrophobicContact CG-CG1 4.23Å
129	V	96.5	Very high	93.6	Very high	8 Å²	8	43.5 Å²	43.5	5%	0.048	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	115.9	172.6	-173.1	0	0	0	0	108.2	V30 E32 L99 K100 S104 V127	V30-V129 HydrophobicContact CG1-CG2 4.18Å; V30-V129 CarbonylContact O-C 3.59Å; V30-V129 WeakPolarHBondContact O-CA 3.38Å; E32-V129 HydrophobicContact CB-CG1 3.83Å; E32-V129 HydrophobicContact CG-CG1 4.43Å; L99-V129 HydrophobicContact CB-CG1 4.45Å; L99-V129 HydrophobicContact CB-CG2 3.93Å; L99-V129 HydrophobicContact CD2-CG2 4.27Å; K100-V129 WeakPolarHBondContact O-CG2 3.15Å; S104-V129 WeakPolarHBondContact OG-CB 3.17Å; S104-V129 PolarHBondContact OG-N 2.83Å; V127-V129 HydrophobicContact CG1-CG2 4.44Å
130	I	94.4	Very high	94.4	Very high	62 Å²	62	41.8 Å²	41.8	32%	0.318	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	120.6	-174.3	-60.7	174.8	0	0	0	108.9	A29 V30 L31 E32 K128 G132	A29-I130 HydrophobicContact CB-CD1 3.83Å; A29-I130 HydrophobicContact CB-CG1 4.49Å; V30-I130 PolarHBondContact O-N 2.8Å; L31-I130 WeakPolarHBondContact CA-O 3.31Å; L31-I130 HydrophobicContact CD2-CB 4.12Å; L31-I130 HydrophobicContact CD2-CG2 4Å; E32-I130 PolarHBondContact N-O 3.24Å; K128-I130 HydrophobicContact CD-CG1 4.35Å; K128-I130 HydrophobicContact CG-CG1 4.23Å; I130-G132 PolarHBondContact O-N 2.9Å
131	H	92.1	Very high	94.8	Very high	58 Å²	58	44.5 Å²	44.5	27%	0.269	24%	0.239	S	C	.	.	S	Bend	trans	-84.9	102.9	164	179.4	70	0	0	0	109.3	E32 Y158	E32-H131 IonicContact OE2-ND1 3.97Å; E32-H131 PolarHBondContact OE2-ND1 2.62Å; H131-Y158 AromaticContact CE1-CE2 3.72Å; H131-Y158 AromaticContact CE1-CZ 3.77Å; H131-Y158 PolarHBondContact CE1-OH 3.01Å; H131-Y158 AromaticContact NE2-CE2 3.94Å; H131-Y158 AromaticContact NE2-CZ 3.7Å; H131-Y158 PolarHBondContact NE2-OH 3.25Å
132	G	93.1	Very high	95	Very high	3 Å²	3	44 Å²	44	3%	0.031	24%	0.238	C	C	.	.	S	Bend	trans	167.1	-146.5	-174.8	0	0	0	0	0	114.5	I130 S155	I130-G132 PolarHBondContact O-N 2.9Å; G132-S155 PolarHBondContact N-OG 3.1Å; G132-S155 PolarHBondContact O-N 2.94Å; G132-S155 PolarHBondContact O-OG 3.19Å
133	M	94.6	Very high	95.1	Very high	21 Å²	21	43.9 Å²	43.9	10%	0.103	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	154.1	179.2	-64.9	-179.8	68.8	0	0	110.5	L153 F198 C215 S216 A217 Q220 T222	M133-L153 CarbonylContact C-O 3.53Å; M133-L153 VanDerWaalsContact CA-O 3.25Å; M133-L153 WeakPolarHBondContact CA-O 3.16Å; M133-L153 WeakPolarHBondContact CB-O 3.38Å; M133-F198 HydrophobicContact CE-CE1 3.58Å; M133-F198 HydrophobicContact CE-CZ 3.98Å; M133-C215 HydrophobicContact CE-CB 3.98Å; M133-S216 VanDerWaalsContact SD-C 3.57Å; M133-S216 VanDerWaalsContact SD-CA 3.55Å; M133-A217 HydrophobicContact CE-CB 4.05Å; M133-A217 HydrophobicContact CG-CB 4.5Å; M133-A217 HydrophobicContact SD-CB 3.65Å; M133-A217 PolarHBondContact SD-N 3.29Å; M133-Q220 HydrophobicContact CG-CB 3.9Å; M133-Q220 HydrophobicContact SD-CB 4.07Å; M133-T222 HydrophobicContact CB-CG2 4.19Å
134	S	95.3	Very high	95.2	Very high	24 Å²	24	46.6 Å²	46.6	17%	0.168	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	160.1	172.3	-168.7	0	0	0	0	109.7	C152 L153	S134-C152 CarbonylContact O-C 3.53Å; S134-L153 PolarHBondContact N-O 2.86Å; S134-L153 PolarHBondContact O-N 3.03Å; S134-L153 VanDerWaalsContact O-O 3.12Å
135	A	95.1	Very high	95.2	Very high	2 Å²	2	44.6 Å²	44.6	2%	0.017	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	139.6	168.9	0	0	0	0	0	108	N137 T222 V224	A135-N137 PolarHBondContact O-N 2.76Å; A135-T222 HydrophobicContact CB-CG2 4.28Å; A135-V224 HydrophobicContact CB-CG2 3.63Å
136	V	93.7	Very high	95.2	Very high	66 Å²	66	46.4 Å²	46.4	40%	0.4	27%	0.266	S	S	.	.	S	Bend	trans	-60.7	-40.6	175.7	175.2	0	0	0	0	110	E151 L153	V136-E151 HydrophobicContact CB-CB 4.23Å; V136-E151 HydrophobicContact CG2-CB 3.88Å; V136-E151 HydrophobicContact CG2-CG 3.76Å; V136-E151 PolarHBondContact N-O 3.06Å; V136-L153 HydrophobicContact CG2-CD1 3.97Å; V136-L153 HydrophobicContact CG2-CD2 3.99Å; V136-L153 HydrophobicContact CG2-CG 3.9Å
137	N	93.8	Very high	95.1	Very high	81 Å²	81	45.9 Å²	45.9	43%	0.433	28%	0.276	S	S	.	.			trans	-135.1	119.8	170.3	-175.3	7.9	0	0	0	110.4	A135 M139 M140	A135-N137 PolarHBondContact O-N 2.76Å; N137-M139 VanDerWaalsContact C-N 3.3Å; N137-M139 VanDerWaalsContact CG-O 3.32Å; N137-M139 PolarHBondContact ND2-O 2.9Å; N137-M139 PolarHBondContact O-N 2.99Å; N137-M139 PolarHBondContact OD1-N 2.85Å; N137-M139 PolarHBondContact OD1-O 2.67Å; N137-M140 HydrophobicContact CB-SD 3.74Å; N137-M140 PolarHBondContact ND2-SD 3.07Å; N137-M140 VanDerWaalsContact ND2-SD 3.42Å
138	S	93.9	Very high	95.1	Very high	62 Å²	62	46.6 Å²	46.6	43%	0.434	28%	0.28	S	S	.	.	S	Bend	trans	-79.2	-11.2	-180	-52.8	0	0	0	0	113.4	H225	S138-H225 PolarHBondContact O-N 3.03Å
139	M	95.4	Very high	95.1	Very high	98 Å²	98	45.3 Å²	45.3	48%	0.483	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	102	179	177.4	62.8	98.4	0	0	110.5	N137 H225	N137-M139 VanDerWaalsContact C-N 3.3Å; N137-M139 VanDerWaalsContact CG-O 3.32Å; N137-M139 PolarHBondContact ND2-O 2.9Å; N137-M139 PolarHBondContact O-N 2.99Å; N137-M139 PolarHBondContact OD1-N 2.85Å; N137-M139 PolarHBondContact OD1-O 2.67Å; M139-H225 HydrophobicContact CE-CB 4.32Å; M139-H225 WeakPolarHBondContact CE-ND1 3.39Å; M139-H225 HydrophobicContact SD-CB 3.82Å; M139-H225 PolarHBondContact SD-ND1 3.41Å
140	M	95.3	Very high	95.1	Very high	34 Å²	34	45 Å²	45	17%	0.167	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	135.8	-179.9	-63.8	-63.4	-66	0	0	109.8	N137 V148 T149 I150 V224 H225 V226 L227	N137-M140 HydrophobicContact CB-SD 3.74Å; N137-M140 PolarHBondContact ND2-SD 3.07Å; N137-M140 VanDerWaalsContact ND2-SD 3.42Å; M140-V148 HydrophobicContact CB-CG1 4.36Å; M140-V148 HydrophobicContact CE-CG1 3.57Å; M140-T149 VanDerWaalsContact CE-O 3.24Å; M140-T149 WeakPolarHBondContact CE-O 3.2Å; M140-I150 HydrophobicContact CB-CG1 4.47Å; M140-I150 HydrophobicContact CG-CG1 3.89Å; M140-V224 HydrophobicContact CG-CG1 4.09Å; M140-H225 PolarHBondContact N-O 3.29Å; M140-V226 WeakPolarHBondContact O-CA 3.32Å; M140-L227 PolarHBondContact O-N 3.46Å
141	S	95.4	Very high	95.3	Very high	83 Å²	83	46.2 Å²	46.2	58%	0.58	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.7	146.1	173.9	67.1	0	0	0	0	111.1	L227	S141-L227 VanDerWaalsContact CA-O 3.25Å; S141-L227 WeakPolarHBondContact CA-O 3.31Å
142	G	95	Very high	95.5	Very high	10 Å²	10	43.4 Å²	43.4	10%	0.103	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	150.6	177.9	0	0	0	0	0	111.8	L227 V228 T229	G142-L227 PolarHBondContact N-O 2.94Å; G142-L227 VanDerWaalsContact N-O 3.08Å; G142-V228 CarbonylContact O-C 3.56Å; G142-V228 VanDerWaalsContact O-CA 3.31Å; G142-V228 WeakPolarHBondContact O-CA 3.29Å; G142-T229 PolarHBondContact O-N 3.49Å; G142-T229 PolarHBondContact O-OG1 3.38Å
143	A	95.8	Very high	95.7	Very high	30 Å²	30	44.8 Å²	44.8	25%	0.248	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	150.5	176.1	0	0	0	0	0	110.9	G145 S146 T229	A143-G145 PolarHBondContact O-N 3.08Å; A143-S146 PolarHBondContact N-OG 3.09Å; A143-S146 VanDerWaalsContact O-CB 3.28Å; A143-S146 WeakPolarHBondContact O-CB 3.28Å; A143-S146 PolarHBondContact O-N 3.47Å; A143-S146 PolarHBondContact O-OG 2.9Å; A143-T229 CarbonylContact C-O 3.48Å; A143-T229 WeakPolarHBondContact CA-O 3.38Å
144	E	96.9	Very high	95.7	Very high	79 Å²	79	44 Å²	44	37%	0.369	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	133.2	171.7	-176.5	168.6	-133.5	0	0	110.4	S146 M207 V228 T229	E144-S146 VanDerWaalsContact C-N 3.3Å; E144-S146 PolarHBondContact O-N 2.66Å; E144-M207 HydrophobicContact CB-SD 4.48Å; E144-M207 WeakPolarHBondContact OE1-CG 3.49Å; E144-M207 PolarHBondContact OE1-N 2.88Å; E144-V228 HydrophobicContact CB-CG1 4.08Å; E144-T229 PolarHBondContact N-O 3.37Å
145	G	94.8	Very high	95.8	Very high	34 Å²	34	42.9 Å²	42.9	35%	0.351	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.7	-11.2	-176	0	0	0	0	0	115.3	A143 L205	A143-G145 PolarHBondContact O-N 3.08Å; G145-L205 PolarHBondContact N-O 3.02Å
146	S	95.5	Very high	95.7	Very high	39 Å²	39	44.7 Å²	44.7	27%	0.273	27%	0.273	S	S	.	.			trans	-79.6	158.2	177.4	70.8	0	0	0	0	112.6	A143 E144 L205	A143-S146 PolarHBondContact N-OG 3.09Å; A143-S146 VanDerWaalsContact O-CB 3.28Å; A143-S146 WeakPolarHBondContact O-CB 3.28Å; A143-S146 PolarHBondContact O-N 3.47Å; A143-S146 PolarHBondContact O-OG 2.9Å; E144-S146 VanDerWaalsContact C-N 3.3Å; E144-S146 PolarHBondContact O-N 2.66Å; S146-L205 PolarHBondContact O-N 2.88Å
147	A	96.6	Very high	95.7	Very high	69 Å²	69	48 Å²	48	57%	0.57	28%	0.279	S	S	*	.			trans	-92.8	136.4	170	0	0	0	0	0	109.8	F202	A147-F202 CarbonylContact C-O 3.48Å; A147-F202 WeakPolarHBondContact CA-O 3.35Å; A147-F202 WeakPolarHBondContact CB-O 3.4Å
148	V	96.3	Very high	95.7	Very high	14 Å²	14	45.5 Å²	45.5	9%	0.085	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	133.7	178.4	171.3	0	0	0	0	109.4	M140 I150 T201 F202 L205	M140-V148 HydrophobicContact CB-CG1 4.36Å; M140-V148 HydrophobicContact CE-CG1 3.57Å; V148-I150 HydrophobicContact CG1-CD1 4.27Å; V148-T201 CarbonylContact O-C 3.42Å; V148-T201 WeakPolarHBondContact O-CA 3.5Å; V148-F202 PolarHBondContact N-O 3.35Å; V148-F202 PolarHBondContact O-N 3.47Å; V148-L205 HydrophobicContact CB-CD1 4.05Å; V148-L205 HydrophobicContact CG2-CD1 3.45Å; V148-L205 VanDerWaalsContact CG2-CD1 3.45Å; V148-L205 HydrophobicContact CG2-CG 4.4Å
149	T	97	Very high	95.7	Very high	75 Å²	75	46.6 Å²	46.6	46%	0.46	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	125.4	177.4	-57.7	0	0	0	0	109.5	M140 T199 V200 T201	M140-T149 VanDerWaalsContact CE-O 3.24Å; M140-T149 WeakPolarHBondContact CE-O 3.2Å; T149-T199 HydrophobicContact CG2-CG2 4.21Å; T149-V200 CarbonylContact C-O 3.56Å; T149-V200 WeakPolarHBondContact CA-O 3.48Å; T149-T201 PolarHBondContact OG1-OG1 3.31Å
150	I	97.3	Very high	95.6	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	132.6	175.1	-58.1	94.9	0	0	0	107.5	M140 V148 W165 T199 V200 F202 V224	M140-I150 HydrophobicContact CB-CG1 4.47Å; M140-I150 HydrophobicContact CG-CG1 3.89Å; V148-I150 HydrophobicContact CG1-CD1 4.27Å; I150-W165 HydrophobicContact CG2-CH2 4.45Å; I150-T199 CarbonylContact O-C 3.57Å; I150-T199 VanDerWaalsContact O-CA 3.27Å; I150-T199 WeakPolarHBondContact O-CA 3.44Å; I150-V200 HydrophobicContact CB-CB 4.39Å; I150-V200 WeakPolarHBondContact CD1-O 3.4Å; I150-V200 PolarHBondContact N-O 3.49Å; I150-V200 PolarHBondContact O-N 3.17Å; I150-F202 HydrophobicContact CD1-CD2 3.56Å; I150-F202 HydrophobicContact CD1-CE2 3.72Å; I150-V224 HydrophobicContact CG2-CB 4.47Å; I150-V224 HydrophobicContact CG2-CG1 3.93Å; I150-V224 HydrophobicContact CG2-CG2 4.1Å
151	E	97.6	Very high	95.6	Very high	87 Å²	87	49.7 Å²	49.7	41%	0.407	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	120.9	178	-172.1	176.6	-173.7	0	0	110.3	V136 L153 A197 T199	V136-E151 HydrophobicContact CB-CB 4.23Å; V136-E151 HydrophobicContact CG2-CB 3.88Å; V136-E151 HydrophobicContact CG2-CG 3.76Å; V136-E151 PolarHBondContact N-O 3.06Å; E151-L153 HydrophobicContact CG-CD2 4.24Å; E151-A197 HydrophobicContact CG-CB 4.4Å; E151-T199 HydrophobicContact CG-CG2 4.44Å
152	C	97.1	Very high	95.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	118.9	-178.1	-71.1	0	0	0	0	109.7	S134 A197 F198 C215	S134-C152 CarbonylContact O-C 3.53Å; C152-A197 WeakPolarHBondContact O-CA 3.27Å; C152-F198 HydrophobicContact CB-CD1 4.15Å; C152-F198 HydrophobicContact CB-CD2 4.43Å; C152-F198 HydrophobicContact CB-CE1 3.67Å; C152-F198 HydrophobicContact CB-CE2 3.99Å; C152-F198 HydrophobicContact CB-CZ 3.6Å; C152-F198 PolarHBondContact N-O 3.23Å; C152-F198 PolarHBondContact O-N 2.91Å; C152-C215 HydrophobicContact CB-CB 3.59Å; C152-C215 WeakPolarHBondContact CB-SG 3.45Å; C152-C215 WeakPolarHBondContact SG-CB 3.35Å; C152-C215 CovalentContact SG-SG 2.02Å; C152-C215 PolarHBondContact SG-SG 2.93Å
153	L	96.9	Very high	95.6	Very high	31 Å²	31	50 Å²	50	16%	0.162	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	147.3	-179.6	-50.5	-179.4	0	0	0	110.1	L31 M133 S134 V136 E151 G196 A197	L31-L153 HydrophobicContact CD1-CB 3.41Å; L31-L153 VanDerWaalsContact CD1-CB 3.41Å; M133-L153 CarbonylContact C-O 3.53Å; M133-L153 VanDerWaalsContact CA-O 3.25Å; M133-L153 WeakPolarHBondContact CA-O 3.16Å; M133-L153 WeakPolarHBondContact CB-O 3.38Å; S134-L153 PolarHBondContact N-O 2.86Å; S134-L153 PolarHBondContact O-N 3.03Å; S134-L153 VanDerWaalsContact O-O 3.12Å; V136-L153 HydrophobicContact CG2-CD1 3.97Å; V136-L153 HydrophobicContact CG2-CD2 3.99Å; V136-L153 HydrophobicContact CG2-CG 3.9Å; E151-L153 HydrophobicContact CG-CD2 4.24Å; L153-G196 CarbonylContact C-O 3.5Å; L153-G196 WeakPolarHBondContact CA-O 3.29Å; L153-A197 HydrophobicContact CD2-CB 3.62Å
154	Y	96.1	Very high	95.7	Very high	5 Å²	5	51.4 Å²	51.4	2%	0.02	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	151.3	177.6	57.5	-96	0	0	0	111	R159 K163 D192 R194 G196 A197 F198	Y154-R159 HydrophobicContact CE2-CB 4.45Å; Y154-R159 HydrophobicContact CE2-CG 3.93Å; Y154-K163 HydrophobicContact CD1-CD 4.3Å; Y154-K163 VanDerWaalsContact CD1-CE 3.46Å; Y154-K163 HydrophobicContact CE1-CD 4.24Å; Y154-K163 VanDerWaalsContact CZ-CE 3.41Å; Y154-D192 WeakPolarHBondContact CE1-OD1 3.18Å; Y154-D192 PolarHBondContact OH-OD1 2.04Å; Y154-R194 VanDerWaalsContact OH-CA 3.25Å; Y154-R194 WeakPolarHBondContact OH-CA 3.39Å; Y154-R194 PolarHBondContact OH-N 3.45Å; Y154-G196 VanDerWaalsContact CE1-C 3.47Å; Y154-G196 PolarHBondContact N-O 2.67Å; Y154-A197 VanDerWaalsContact CE1-C 3.4Å; Y154-A197 VanDerWaalsContact CE1-N 3.33Å; Y154-F198 AromaticContact CD1-CD1 3.71Å; Y154-F198 HydrophobicContact CD1-CD1 3.71Å; Y154-F198 HydrophobicContact CD1-CE1 4.26Å; Y154-F198 HydrophobicContact CE1-CB 4.43Å; Y154-F198 AromaticContact CE1-CD1 3.9Å; Y154-F198 HydrophobicContact CE1-CD1 3.9Å
155	S	95.8	Very high	95.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.248	C	C	.	.			trans	-65.9	150.6	174.5	51.8	0	0	0	0	112.1	E32 G132 R157 Y158	E32-S155 WeakPolarHBondContact O-CA 3.35Å; G132-S155 PolarHBondContact N-OG 3.1Å; G132-S155 PolarHBondContact O-N 2.94Å; G132-S155 PolarHBondContact O-OG 3.19Å; S155-R157 PolarHBondContact O-N 3.32Å; S155-Y158 PolarHBondContact O-N 3.25Å; S155-Y158 WeakPolarHBondContact OG-CD2 3.44Å; S155-Y158 VanDerWaalsContact OG-CE2 3.28Å; S155-Y158 WeakPolarHBondContact OG-CE2 3.28Å
156	E	94.2	Very high	95.8	Very high	40 Å²	40	46.9 Å²	46.9	19%	0.187	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-52.1	-27.8	-174.9	63.9	175.4	166.8	0	0	115	E32 K100 Y158 R159	E32-E156 HydrophobicContact CG-CG 4.14Å; E32-E156 PolarHBondContact O-N 3.1Å; K100-E156 VanDerWaalsContact CD-OE1 3.29Å; K100-E156 WeakPolarHBondContact CD-OE1 3.13Å; K100-E156 WeakPolarHBondContact CE-OE1 3.17Å; K100-E156 IonicContact NZ-OE1 3.94Å; K100-E156 PolarHBondContact NZ-OE1 3.19Å; K100-E156 IonicContact NZ-OE2 3.8Å; K100-E156 PolarHBondContact NZ-OE2 3.13Å; E156-Y158 PolarHBondContact O-N 3.48Å; E156-Y158 VanDerWaalsContact O-N 3.16Å; E156-R159 WeakPolarHBondContact O-CB 3.15Å; E156-R159 WeakPolarHBondContact O-CG 3.22Å; E156-R159 PolarHBondContact O-N 2.99Å; E156-R159 VanDerWaalsContact O-N 3.17Å; E156-R159 IonicContact OE2-NH1 3.89Å
157	R	92.7	Very high	95.8	Very high	137 Å²	137	48.7 Å²	48.7	52%	0.517	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-64.3	-18.8	178.3	-58.1	-166.2	-160.6	170.3	9.1	112.9	E32 E101 S155	E32-R157 VanDerWaalsContact CD-NE 3.27Å; E32-R157 IonicContact OE1-CZ 2.87Å; E32-R157 IonicContact OE1-NE 3.78Å; E32-R157 PolarHBondContact OE1-NE 3.22Å; E32-R157 IonicContact OE1-NH2 2.88Å; E32-R157 PolarHBondContact OE1-NH2 3.12Å; E32-R157 WeakPolarHBondContact OE2-CD 3.37Å; E32-R157 WeakPolarHBondContact OE2-CG 3.28Å; E32-R157 IonicContact OE2-CZ 3.66Å; E32-R157 IonicContact OE2-NE 3.77Å; E32-R157 PolarHBondContact OE2-NE 2.92Å; E32-R157 IonicContact OE2-NH2 2.7Å; E101-R157 IonicContact OE2-CZ 3.91Å; E101-R157 IonicContact OE2-NH1 2.7Å; E101-R157 IonicContact OE2-NH2 2.75Å; E101-R157 PolarHBondContact OE2-NH2 3.33Å; S155-R157 PolarHBondContact O-N 3.32Å
158	Y	94.3	Very high	95.8	Very high	27 Å²	27	47.9 Å²	47.9	11%	0.106	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-98.9	8.5	179.2	-60.2	-63.3	0	0	0	114.1	H131 S155 E156 E160 S161 K163 A217 Q220	H131-Y158 AromaticContact CE1-CE2 3.72Å; H131-Y158 AromaticContact CE1-CZ 3.77Å; H131-Y158 PolarHBondContact CE1-OH 3.01Å; H131-Y158 AromaticContact NE2-CE2 3.94Å; H131-Y158 AromaticContact NE2-CZ 3.7Å; H131-Y158 PolarHBondContact NE2-OH 3.25Å; S155-Y158 PolarHBondContact O-N 3.25Å; S155-Y158 WeakPolarHBondContact OG-CD2 3.44Å; S155-Y158 VanDerWaalsContact OG-CE2 3.28Å; S155-Y158 WeakPolarHBondContact OG-CE2 3.28Å; E156-Y158 PolarHBondContact O-N 3.48Å; E156-Y158 VanDerWaalsContact O-N 3.16Å; Y158-E160 VanDerWaalsContact C-N 3.29Å; Y158-E160 PolarHBondContact O-N 2.82Å; Y158-S161 WeakPolarHBondContact O-CB 3.37Å; Y158-S161 PolarHBondContact O-N 3.02Å; Y158-K163 WeakPolarHBondContact O-CE 3.37Å; Y158-K163 PolarHBondContact O-NZ 3.4Å; Y158-A217 HydrophobicContact CG-CB 4.23Å; Y158-Q220 HydrophobicContact CE1-CG 4.45Å; Y158-Q220 HydrophobicContact CE2-CB 4.2Å; Y158-Q220 HydrophobicContact CE2-CG 3.66Å; Y158-Q220 VanDerWaalsContact CZ-CG 3.49Å; Y158-Q220 WeakPolarHBondContact OH-CG 3.42Å
159	R	94	Very high	95.7	Very high	86 Å²	86	51.4 Å²	51.4	33%	0.325	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	-46.9	176.4	-76.5	175.3	179.9	155.6	3.6	112.4	Y154 E156 S161 K163 R194 T195	Y154-R159 HydrophobicContact CE2-CB 4.45Å; Y154-R159 HydrophobicContact CE2-CG 3.93Å; E156-R159 WeakPolarHBondContact O-CB 3.15Å; E156-R159 WeakPolarHBondContact O-CG 3.22Å; E156-R159 PolarHBondContact O-N 2.99Å; E156-R159 VanDerWaalsContact O-N 3.17Å; E156-R159 IonicContact OE2-NH1 3.89Å; R159-S161 VanDerWaalsContact C-N 3.35Å; R159-S161 PolarHBondContact O-N 2.88Å; R159-K163 PolarHBondContact O-NZ 3.24Å; R159-K163 VanDerWaalsContact O-NZ 3.17Å; R159-R194 WeakPolarHBondContact CD-O 3.48Å; R159-R194 VanDerWaalsContact CG-O 3.3Å; R159-R194 WeakPolarHBondContact CG-O 3.16Å; R159-T195 PolarHBondContact NE-O 3.14Å; R159-T195 PolarHBondContact NH2-O 2.86Å; R159-T195 VanDerWaalsContact NH2-O 3.09Å
160	E	93.1	Very high	95.5	Very high	162 Å²	162	51.2 Å²	51.2	76%	0.757	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-3.2	-179.3	-56.7	-53.9	134.4	0	0	114.2	Y158	Y158-E160 VanDerWaalsContact C-N 3.29Å; Y158-E160 PolarHBondContact O-N 2.82Å
161	S	94.4	Very high	95.1	Very high	35 Å²	35	60.5 Å²	60.5	25%	0.245	30%	0.297	C	S	.	.	S	Bend	trans	-78.5	142.8	178.9	-65.1	0	0	0	0	111	Y158 R159 K163	Y158-S161 WeakPolarHBondContact O-CB 3.37Å; Y158-S161 PolarHBondContact O-N 3.02Å; R159-S161 VanDerWaalsContact C-N 3.35Å; R159-S161 PolarHBondContact O-N 2.88Å; S161-K163 PolarHBondContact O-N 2.71Å; S161-K163 PolarHBondContact O-NZ 2.83Å
162	E	95.1	Very high	94.8	Very high	99 Å²	99	65.6 Å²	65.6	46%	0.463	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-56.5	136.8	168.7	57.6	174.2	173.7	0	0	110.7	K164	E162-K164 WeakPolarHBondContact OE1-CE 3.13Å; E162-K164 IonicContact OE1-NZ 2.69Å; E162-K164 PolarHBondContact OE1-NZ 3.37Å; E162-K164 WeakPolarHBondContact OE2-CE 3.35Å; E162-K164 IonicContact OE2-NZ 3.2Å
163	K	97	Very high	94.7	Very high	0 Å²	0	67 Å²	67	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	134.4	175.9	-52	-54.7	-174.2	-64.5	0	108.7	Y154 Y158 R159 S161 S176 T177 D192 F198 S216 A217	Y154-K163 HydrophobicContact CD1-CD 4.3Å; Y154-K163 VanDerWaalsContact CD1-CE 3.46Å; Y154-K163 HydrophobicContact CE1-CD 4.24Å; Y154-K163 VanDerWaalsContact CZ-CE 3.41Å; Y158-K163 WeakPolarHBondContact O-CE 3.37Å; Y158-K163 PolarHBondContact O-NZ 3.4Å; R159-K163 PolarHBondContact O-NZ 3.24Å; R159-K163 VanDerWaalsContact O-NZ 3.17Å; S161-K163 PolarHBondContact O-N 2.71Å; S161-K163 PolarHBondContact O-NZ 2.83Å; K163-S176 WeakPolarHBondContact O-CA 3.43Å; K163-T177 HydrophobicContact CB-CG2 3.91Å; K163-T177 PolarHBondContact N-OG1 2.91Å; K163-T177 PolarHBondContact O-N 2.73Å; K163-T177 PolarHBondContact O-OG1 2.85Å; K163-D192 WeakPolarHBondContact CE-OD2 3.27Å; K163-D192 HydrophobicContact CG-CB 4.09Å; K163-D192 WeakPolarHBondContact CG-OD2 3.23Å; K163-D192 IonicContact NZ-OD1 2.91Å; K163-D192 IonicContact NZ-OD2 3.52Å; K163-D192 PolarHBondContact NZ-OD2 2.75Å; K163-F198 HydrophobicContact CB-CD1 3.97Å; K163-F198 HydrophobicContact CB-CD2 4.04Å; K163-F198 HydrophobicContact CB-CE1 4.11Å; K163-F198 HydrophobicContact CB-CE2 4.17Å; K163-F198 HydrophobicContact CB-CG 3.92Å; K163-F198 HydrophobicContact CB-CZ 4.2Å; K163-F198 HydrophobicContact CD-CD1 3.68Å; K163-F198 HydrophobicContact CD-CE1 3.9Å; K163-F198 HydrophobicContact CD-CG 4.35Å; K163-F198 HydrophobicContact CG-CB 4.13Å; K163-F198 HydrophobicContact CG-CD1 3.72Å; K163-F198 HydrophobicContact CG-CD2 4.5Å; K163-F198 HydrophobicContact CG-CE1 4.2Å; K163-F198 HydrophobicContact CG-CG 3.88Å; K163-S216 WeakPolarHBondContact CA-O 3.48Å; K163-A217 HydrophobicContact CD-CB 3.64Å
164	K	96.8	Very high	94.6	Very high	59 Å²	59	67.9 Å²	67.9	26%	0.257	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	150.5	179.2	-37.1	-177.6	175.2	175.7	0	112.5	E162 L175 S176 S216	E162-K164 WeakPolarHBondContact OE1-CE 3.13Å; E162-K164 IonicContact OE1-NZ 2.69Å; E162-K164 PolarHBondContact OE1-NZ 3.37Å; E162-K164 WeakPolarHBondContact OE2-CE 3.35Å; E162-K164 IonicContact OE2-NZ 3.2Å; K164-L175 CarbonylContact C-O 3.53Å; K164-L175 WeakPolarHBondContact CA-O 3.47Å; K164-L175 WeakPolarHBondContact CB-O 3.29Å; K164-S176 WeakPolarHBondContact CG-OG 3.38Å; K164-S216 WeakPolarHBondContact CB-OG 3.41Å; K164-S216 PolarHBondContact N-O 3.43Å; K164-S216 PolarHBondContact O-N 3.05Å
165	W	97.4	Very high	94.6	Very high	5 Å²	5	69.2 Å²	69.2	2%	0.019	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	115.8	174.5	179.3	-110.5	0	0	0	109.2	I150 C174 L175 I190 V200 F202 Y213 W214 C215 V224 V226	I150-W165 HydrophobicContact CG2-CH2 4.45Å; W165-C174 WeakPolarHBondContact O-CA 3.21Å; W165-L175 PolarHBondContact N-O 3.45Å; W165-L175 PolarHBondContact O-N 3.48Å; W165-I190 HydrophobicContact CB-CD1 3.79Å; W165-V200 HydrophobicContact CB-CG1 4.41Å; W165-V200 HydrophobicContact CB-CG2 4.19Å; W165-V200 HydrophobicContact CD2-CB 4.35Å; W165-V200 HydrophobicContact CD2-CG1 3.82Å; W165-V200 HydrophobicContact CD2-CG2 4.05Å; W165-V200 HydrophobicContact CE3-CB 4.5Å; W165-V200 HydrophobicContact CE3-CG1 4.43Å; W165-V200 HydrophobicContact CE3-CG2 3.97Å; W165-V200 HydrophobicContact CG-CG1 3.8Å; W165-V200 HydrophobicContact CG-CG2 4.19Å; W165-V200 HydrophobicContact CZ2-CG1 4.44Å; W165-F202 AromaticContact CZ2-CE2 3.81Å; W165-F202 HydrophobicContact CZ2-CE2 3.81Å; W165-F202 HydrophobicContact CZ2-CZ 4.11Å; W165-F202 AromaticContact NE1-CZ 3.76Å; W165-Y213 HydrophobicContact CD2-CD1 4.29Å; W165-Y213 AromaticContact CE2-CD1 3.4Å; W165-Y213 VanDerWaalsContact CE2-CD1 3.4Å; W165-Y213 AromaticContact CE2-CG 3.68Å; W165-Y213 HydrophobicContact CH2-CD1 4.39Å; W165-Y213 HydrophobicContact CH2-CD2 4.42Å; W165-Y213 AromaticContact CH2-CG 3.81Å; W165-Y213 HydrophobicContact CH2-CG 3.81Å; W165-Y213 AromaticContact CZ2-CD1 3.48Å; W165-Y213 HydrophobicContact CZ2-CD1 3.48Å; W165-Y213 VanDerWaalsContact CZ2-CD1 3.48Å; W165-Y213 AromaticContact CZ2-CD2 3.86Å; W165-Y213 HydrophobicContact CZ2-CD2 3.86Å; W165-Y213 HydrophobicContact CZ2-CE1 4.27Å; W165-Y213 AromaticContact CZ2-CG 3.23Å; W165-Y213 HydrophobicContact CZ2-CG 3.23Å; W165-Y213 AromaticContact NE1-CD1 3.34Å; W165-Y213 VanDerWaalsContact NE1-CD1 3.34Å; W165-Y213 AromaticContact NE1-CE1 3.7Å; W165-W214 WeakPolarHBondContact CA-O 3.29Å; W165-C215 HydrophobicContact CE3-CB 4.42Å; W165-C215 HydrophobicContact CZ3-CB 4.43Å; W165-C215 WeakPolarHBondContact CZ3-SG 3.37Å; W165-V224 HydrophobicContact CH2-CB 4.07Å; W165-V224 HydrophobicContact CH2-CG1 4.42Å; W165-V224 HydrophobicContact CZ3-CB 4.3Å; W165-V224 HydrophobicContact CZ3-CG2 4.41Å; W165-V226 HydrophobicContact CZ2-CG2 4.41Å
166	C	96.4	Very high	94.7	Very high	14 Å²	14	71.1 Å²	71.1	10%	0.095	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	139.9	-175.1	-54.8	0	0	0	0	111	C174 Y213 W214	C166-C174 HydrophobicContact CB-CB 4.09Å; C166-C174 WeakPolarHBondContact CB-SG 3.47Å; C166-C174 VanDerWaalsContact SG-CA 3.53Å; C166-C174 WeakPolarHBondContact SG-CB 3.42Å; C166-C174 CovalentContact SG-SG 2.04Å; C166-C174 PolarHBondContact SG-SG 2.93Å; C166-Y213 CarbonylContact O-C 3.53Å; C166-Y213 WeakPolarHBondContact O-CA 3.5Å; C166-W214 HydrophobicContact CB-CB 4.42Å; C166-W214 PolarHBondContact N-O 2.91Å; C166-W214 PolarHBondContact O-N 2.8Å
167	R	96.8	Very high	94.8	Very high	77 Å²	77	69.9 Å²	69.9	29%	0.291	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	133.7	166.3	-165.8	176.4	175.7	98.2	-7.8	109.5	G169 D170 S173 K208 D209 T210 A211 Y213	R167-G169 PolarHBondContact O-N 2.74Å; R167-D170 PolarHBondContact O-N 3.45Å; R167-S173 WeakPolarHBondContact CA-OG 3.3Å; R167-S173 WeakPolarHBondContact CB-OG 3.06Å; R167-S173 PolarHBondContact N-OG 2.88Å; R167-K208 PolarHBondContact NH1-O 3.19Å; R167-K208 PolarHBondContact NH2-O 2.94Å; R167-K208 VanDerWaalsContact NH2-O 3.08Å; R167-D209 PolarHBondContact NH1-O 3.44Å; R167-T210 PolarHBondContact NH2-O 2.86Å; R167-T210 VanDerWaalsContact NH2-O 3.14Å; R167-A211 HydrophobicContact CG-CB 4.1Å; R167-A211 VanDerWaalsContact NH1-CB 3.27Å; R167-Y213 HydrophobicContact CB-CD1 4.05Å; R167-Y213 HydrophobicContact CB-CE1 3.85Å; R167-Y213 HydrophobicContact CG-CD1 4.38Å; R167-Y213 HydrophobicContact CG-CE1 4Å; R167-Y213 PolarHBondContact NH1-OH 3.4Å
168	S	96.3	Very high	94.8	Very high	52 Å²	52	65.3 Å²	65.3	36%	0.364	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	131.7	-179.3	-167.3	0	0	0	0	111	D170 W212 W214	S168-D170 VanDerWaalsContact C-N 3.31Å; S168-W212 WeakPolarHBondContact CB-O 3.2Å; S168-W212 PolarHBondContact N-O 3.38Å; S168-W214 PolarHBondContact OG-NE1 3.36Å
169	G	92.4	Very high	94.6	Very high	88 Å²	88	69.9 Å²	69.9	91%	0.907	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.3	-5.7	-177.8	0	0	0	0	0	115.3	R167	R167-G169 PolarHBondContact O-N 2.74Å
170	D	93.6	Very high	94.6	Very high	71 Å²	71	70.6 Å²	70.6	38%	0.38	39%	0.388	S	S	.	.			trans	-129.6	97.3	177.8	-177.6	7.5	0	0	0	111.8	R167 S168 R172 S173	R167-D170 PolarHBondContact O-N 3.45Å; S168-D170 VanDerWaalsContact C-N 3.31Å; D170-R172 PolarHBondContact O-N 3.16Å; D170-R172 WeakPolarHBondContact OD1-CB 3.08Å; D170-R172 PolarHBondContact OD1-N 2.93Å; D170-S173 WeakPolarHBondContact O-CB 3.37Å; D170-S173 PolarHBondContact O-N 2.85Å; D170-S173 PolarHBondContact O-OG 3.16Å
171	W	88.3	Confident	94.6	Very high	195 Å²	195	63.1 Å²	63.1	74%	0.739	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-65.6	-23.7	179.8	75.5	-92.3	0	0	0	113.5	S173 C174	W171-S173 VanDerWaalsContact C-N 3.27Å; W171-S173 PolarHBondContact O-N 2.7Å; W171-C174 WeakPolarHBondContact O-CB 3.42Å; W171-C174 PolarHBondContact O-N 2.9Å; W171-C174 PolarHBondContact O-SG 2.75Å; W171-C174 VanDerWaalsContact O-SG 3.37Å
172	R	92.4	Very high	94.7	Very high	195 Å²	195	63.5 Å²	63.5	74%	0.736	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-77.5	-18	-178.7	-62.8	-175.5	176.4	-164.8	0.2	112.3	D170 C174	D170-R172 PolarHBondContact O-N 3.16Å; D170-R172 WeakPolarHBondContact OD1-CB 3.08Å; D170-R172 PolarHBondContact OD1-N 2.93Å; R172-C174 PolarHBondContact O-N 3.35Å
173	S	93.9	Very high	94.8	Very high	30 Å²	30	62.1 Å²	62.1	21%	0.21	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-77.5	-4.3	175.4	74.3	0	0	0	0	113.9	R167 D170 W171 L175	R167-S173 WeakPolarHBondContact CA-OG 3.3Å; R167-S173 WeakPolarHBondContact CB-OG 3.06Å; R167-S173 PolarHBondContact N-OG 2.88Å; D170-S173 WeakPolarHBondContact O-CB 3.37Å; D170-S173 PolarHBondContact O-N 2.85Å; D170-S173 PolarHBondContact O-OG 3.16Å; W171-S173 VanDerWaalsContact C-N 3.27Å; W171-S173 PolarHBondContact O-N 2.7Å; S173-L175 PolarHBondContact O-N 2.59Å
174	C	95.3	Very high	94.8	Very high	49 Å²	49	67.6 Å²	67.6	33%	0.331	37%	0.374	S	S	.	.			trans	-66.3	119.4	-177.7	-74	0	0	0	0	111.7	W165 C166 W171 R172	W165-C174 WeakPolarHBondContact O-CA 3.21Å; C166-C174 HydrophobicContact CB-CB 4.09Å; C166-C174 WeakPolarHBondContact CB-SG 3.47Å; C166-C174 VanDerWaalsContact SG-CA 3.53Å; C166-C174 WeakPolarHBondContact SG-CB 3.42Å; C166-C174 CovalentContact SG-SG 2.04Å; C166-C174 PolarHBondContact SG-SG 2.93Å; W171-C174 WeakPolarHBondContact O-CB 3.42Å; W171-C174 PolarHBondContact O-N 2.9Å; W171-C174 PolarHBondContact O-SG 2.75Å; W171-C174 VanDerWaalsContact O-SG 3.37Å; R172-C174 PolarHBondContact O-N 3.35Å
175	L	96.5	Very high	94.7	Very high	33 Å²	33	67 Å²	67	17%	0.173	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	137.7	171.6	-49.8	-179.8	0	0	0	108.2	K164 W165 S173 Y183 V188 I190	K164-L175 CarbonylContact C-O 3.53Å; K164-L175 WeakPolarHBondContact CA-O 3.47Å; K164-L175 WeakPolarHBondContact CB-O 3.29Å; W165-L175 PolarHBondContact N-O 3.45Å; W165-L175 PolarHBondContact O-N 3.48Å; S173-L175 PolarHBondContact O-N 2.59Å; L175-Y183 HydrophobicContact CB-CD1 4.2Å; L175-Y183 HydrophobicContact CB-CE1 4.02Å; L175-Y183 HydrophobicContact CD1-CD1 4.37Å; L175-Y183 HydrophobicContact CD1-CE1 3.76Å; L175-Y183 HydrophobicContact CD2-CE1 4.12Å; L175-Y183 HydrophobicContact CG-CE1 4.17Å; L175-V188 HydrophobicContact CD1-CB 4Å; L175-V188 HydrophobicContact CD1-CG1 4Å; L175-V188 HydrophobicContact CD1-CG2 4.39Å; L175-I190 HydrophobicContact CB-CD1 3.9Å
176	S	96.8	Very high	94.5	Very high	40 Å²	40	72.2 Å²	72.2	28%	0.28	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	144.2	-179	-58.4	0	0	0	0	110.9	K163 K164 Y183	K163-S176 WeakPolarHBondContact O-CA 3.43Å; K164-S176 WeakPolarHBondContact CG-OG 3.38Å; S176-Y183 VanDerWaalsContact O-CD2 3.26Å; S176-Y183 WeakPolarHBondContact O-CD2 3.32Å
177	T	96.7	Very high	94.4	Very high	14 Å²	14	73.8 Å²	73.8	9%	0.086	42%	0.422	C	S	.	.			trans	-66.7	146	172.1	54.7	0	0	0	0	112.3	K163 S182 I190	K163-T177 HydrophobicContact CB-CG2 3.91Å; K163-T177 PolarHBondContact N-OG1 2.91Å; K163-T177 PolarHBondContact O-N 2.73Å; K163-T177 PolarHBondContact O-OG1 2.85Å; T177-S182 WeakPolarHBondContact CA-O 3.24Å; T177-I190 HydrophobicContact CG2-CB 4.16Å; T177-I190 HydrophobicContact CG2-CG2 3.65Å
178	G	93.3	Very high	94.4	Very high	40 Å²	40	70.4 Å²	70.4	41%	0.412	41%	0.41	S	S	.	.			trans	-72.9	-176.3	167.3	0	0	0	0	0	113.2	D180 G181 S182	G178-D180 PolarHBondContact O-N 2.79Å; G178-G181 PolarHBondContact O-N 2.86Å; G178-S182 PolarHBondContact N-O 2.84Å
179	S	90.6	Very high	94.5	Very high	124 Å²	124	68.3 Å²	68.3	87%	0.867	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-16.4	178.6	54.9	0	0	0	0	114	G181 R194	S179-G181 VanDerWaalsContact C-N 3.3Å; S179-R194 PolarHBondContact O-NH2 3.45Å
180	D	92.5	Very high	94.8	Very high	100 Å²	100	64.1 Å²	64.1	54%	0.535	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-3.6	172.1	68.5	-27.1	0	0	0	112.6	G178 S182 R194	G178-D180 PolarHBondContact O-N 2.79Å; D180-S182 VanDerWaalsContact C-N 3.33Å; D180-S182 PolarHBondContact OD1-N 2.97Å; D180-S182 VanDerWaalsContact OD1-N 3.12Å; D180-S182 PolarHBondContact OD1-OG 2.86Å; D180-S182 WeakPolarHBondContact OD2-CB 3.49Å; D180-S182 PolarHBondContact OD2-OG 3.4Å; D180-R194 VanDerWaalsContact CA-NH2 3.35Å; D180-R194 PolarHBondContact O-NH2 2.92Å; D180-R194 VanDerWaalsContact O-NH2 3.16Å
181	G	93.6	Very high	95	Very high	5 Å²	5	68.1 Å²	68.1	5%	0.052	36%	0.362	C	S	.	.	S	Bend	trans	78.4	16.5	-178	0	0	0	0	0	113.5	G178 S179 D192	G178-G181 PolarHBondContact O-N 2.86Å; S179-G181 VanDerWaalsContact C-N 3.3Å; G181-D192 WeakPolarHBondContact O-CB 3.18Å; G181-D192 PolarHBondContact O-N 2.84Å
182	S	96.6	Very high	95.5	Very high	44 Å²	44	60 Å²	60	31%	0.308	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	152.5	-179.1	90.8	0	0	0	0	112.8	T177 G178 D180 I190	T177-S182 WeakPolarHBondContact CA-O 3.24Å; G178-S182 PolarHBondContact N-O 2.84Å; D180-S182 VanDerWaalsContact C-N 3.33Å; D180-S182 PolarHBondContact OD1-N 2.97Å; D180-S182 VanDerWaalsContact OD1-N 3.12Å; D180-S182 PolarHBondContact OD1-OG 2.86Å; D180-S182 WeakPolarHBondContact OD2-CB 3.49Å; D180-S182 PolarHBondContact OD2-OG 3.4Å; S182-I190 WeakPolarHBondContact CA-O 3.25Å
183	Y	97.1	Very high	95.6	Very high	69 Å²	69	54.5 Å²	54.5	27%	0.271	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	137.4	167.2	173.4	-87.1	0	0	0	107.8	L175 S176 D185 A189 I190	L175-Y183 HydrophobicContact CB-CD1 4.2Å; L175-Y183 HydrophobicContact CB-CE1 4.02Å; L175-Y183 HydrophobicContact CD1-CD1 4.37Å; L175-Y183 HydrophobicContact CD1-CE1 3.76Å; L175-Y183 HydrophobicContact CD2-CE1 4.12Å; L175-Y183 HydrophobicContact CG-CE1 4.17Å; S176-Y183 VanDerWaalsContact O-CD2 3.26Å; S176-Y183 WeakPolarHBondContact O-CD2 3.32Å; Y183-D185 HydrophobicContact CE1-CB 4.03Å; Y183-D185 PolarHBondContact OH-OD2 3.36Å; Y183-A189 CarbonylContact O-C 3.55Å; Y183-A189 WeakPolarHBondContact O-CA 2.99Å; Y183-I190 HydrophobicContact CD1-CD1 4.23Å; Y183-I190 HydrophobicContact CD1-CG1 4.26Å; Y183-I190 HydrophobicContact CG-CD1 4.43Å; Y183-I190 PolarHBondContact N-O 2.77Å; Y183-I190 PolarHBondContact O-N 2.84Å
184	E	96.9	Very high	95.5	Very high	115 Å²	115	58 Å²	58	54%	0.537	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	126.8	178	-170.2	161.7	179.9	0	0	111.9	A189 R191 K203	E184-A189 HydrophobicContact CB-CB 4.49Å; E184-A189 HydrophobicContact CG-CB 4.07Å; E184-R191 IonicContact OE2-NH2 3.92Å; E184-K203 VanDerWaalsContact CG-NZ 3.31Å; E184-K203 WeakPolarHBondContact OE1-CE 3.45Å; E184-K203 IonicContact OE1-NZ 3.18Å; E184-K203 PolarHBondContact OE1-NZ 3Å
185	D	95.3	Very high	95.4	Very high	46 Å²	46	60 Å²	60	25%	0.246	34%	0.337	C	S	.	.			trans	-127.5	-166.8	170.6	75.5	25.8	0	0	0	111.3	Y183 S187 V188 K203	Y183-D185 HydrophobicContact CE1-CB 4.03Å; Y183-D185 PolarHBondContact OH-OD2 3.36Å; D185-S187 VanDerWaalsContact C-N 3.34Å; D185-S187 PolarHBondContact O-N 2.98Å; D185-S187 WeakPolarHBondContact OD1-CA 3.24Å; D185-S187 PolarHBondContact OD1-N 3.36Å; D185-S187 PolarHBondContact OD1-OG 3.46Å; D185-V188 PolarHBondContact N-O 3.11Å; D185-V188 PolarHBondContact OD1-N 3.18Å; D185-K203 PolarHBondContact O-NZ 3.15Å
186	S	93.8	Very high	95.2	Very high	116 Å²	116	59.3 Å²	59.3	81%	0.811	34%	0.339	S	S	*	.	S	Bend	trans	-68.3	-26.5	-179.2	59.4	0	0	0	0	115.2
187	S	94.4	Very high	95.2	Very high	46 Å²	46	57.7 Å²	57.7	32%	0.322	33%	0.328	S	S	.	.	S	Bend	trans	-111.8	-33.4	-173.3	49.7	0	0	0	0	114.4	D185 K203	D185-S187 VanDerWaalsContact C-N 3.34Å; D185-S187 PolarHBondContact O-N 2.98Å; D185-S187 WeakPolarHBondContact OD1-CA 3.24Å; D185-S187 PolarHBondContact OD1-N 3.36Å; D185-S187 PolarHBondContact OD1-OG 3.46Å; S187-K203 PolarHBondContact O-N 2.82Å
188	V	97.3	Very high	95.3	Very high	7 Å²	7	57 Å²	57	4%	0.042	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	142.2	-171.2	-179	0	0	0	0	109.9	L175 D185 I190 V200 T201 F202	L175-V188 HydrophobicContact CD1-CB 4Å; L175-V188 HydrophobicContact CD1-CG1 4Å; L175-V188 HydrophobicContact CD1-CG2 4.39Å; D185-V188 PolarHBondContact N-O 3.11Å; D185-V188 PolarHBondContact OD1-N 3.18Å; V188-I190 HydrophobicContact CG1-CG1 4.36Å; V188-V200 HydrophobicContact CG1-CG1 3.78Å; V188-T201 CarbonylContact C-O 3.58Å; V188-T201 VanDerWaalsContact CA-O 3.3Å; V188-T201 WeakPolarHBondContact CA-O 3.26Å; V188-F202 HydrophobicContact CG2-CD1 3.84Å; V188-F202 HydrophobicContact CG2-CE1 3.86Å
189	A	97.9	Very high	95.5	Very high	8 Å²	8	57.2 Å²	57.2	7%	0.066	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	138.8	167.6	0	0	0	0	0	109.8	Y183 E184 V200 T201	Y183-A189 CarbonylContact O-C 3.55Å; Y183-A189 WeakPolarHBondContact O-CA 2.99Å; E184-A189 HydrophobicContact CB-CB 4.49Å; E184-A189 HydrophobicContact CG-CB 4.07Å; A189-V200 CarbonylContact O-C 3.59Å; A189-V200 WeakPolarHBondContact O-CA 3.44Å; A189-T201 PolarHBondContact N-O 3.03Å; A189-T201 PolarHBondContact O-N 2.93Å
190	I	98.4	Very high	95.8	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	131.4	175.2	-48.9	175.2	0	0	0	107.8	W165 L175 T177 S182 Y183 V188 F198 T199 V200	W165-I190 HydrophobicContact CB-CD1 3.79Å; L175-I190 HydrophobicContact CB-CD1 3.9Å; T177-I190 HydrophobicContact CG2-CB 4.16Å; T177-I190 HydrophobicContact CG2-CG2 3.65Å; S182-I190 WeakPolarHBondContact CA-O 3.25Å; Y183-I190 HydrophobicContact CD1-CD1 4.23Å; Y183-I190 HydrophobicContact CD1-CG1 4.26Å; Y183-I190 HydrophobicContact CG-CD1 4.43Å; Y183-I190 PolarHBondContact N-O 2.77Å; Y183-I190 PolarHBondContact O-N 2.84Å; V188-I190 HydrophobicContact CG1-CG1 4.36Å; I190-F198 HydrophobicContact CG2-CD2 3.84Å; I190-F198 HydrophobicContact CG2-CE2 4.45Å; I190-T199 CarbonylContact C-O 3.53Å; I190-T199 VanDerWaalsContact CA-O 3.27Å; I190-T199 WeakPolarHBondContact CA-O 3.28Å; I190-V200 HydrophobicContact CG1-CG1 4.43Å; I190-V200 HydrophobicContact CG1-CG2 4.34Å; I190-V200 HydrophobicContact CG2-CG2 4.32Å
191	R	97.8	Very high	96.1	Very high	155 Å²	155	48.3 Å²	48.3	59%	0.585	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.7	120.2	176.5	-66.7	-175.1	177.6	168.5	0.8	110.3	E184 F198 T199	E184-R191 IonicContact OE2-NH2 3.92Å; R191-F198 CarbonylContact O-C 3.56Å; R191-F198 VanDerWaalsContact O-CA 3.28Å; R191-F198 WeakPolarHBondContact O-CA 3.36Å; R191-F198 WeakPolarHBondContact O-CB 3.37Å; R191-T199 PolarHBondContact N-O 2.82Å; R191-T199 PolarHBondContact O-N 2.98Å; R191-T199 PolarHBondContact O-OG1 2.84Å
192	D	97.6	Very high	96.3	Very high	24 Å²	24	48.4 Å²	48.4	13%	0.128	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	130.9	175.5	-173.2	12.6	0	0	0	111	Y154 K163 G181 R194 F198	Y154-D192 WeakPolarHBondContact CE1-OD1 3.18Å; Y154-D192 PolarHBondContact OH-OD1 2.04Å; K163-D192 WeakPolarHBondContact CE-OD2 3.27Å; K163-D192 HydrophobicContact CG-CB 4.09Å; K163-D192 WeakPolarHBondContact CG-OD2 3.23Å; K163-D192 IonicContact NZ-OD1 2.91Å; K163-D192 IonicContact NZ-OD2 3.52Å; K163-D192 PolarHBondContact NZ-OD2 2.75Å; G181-D192 WeakPolarHBondContact O-CB 3.18Å; G181-D192 PolarHBondContact O-N 2.84Å; D192-R194 VanDerWaalsContact C-N 3.34Å; D192-R194 PolarHBondContact OD1-N 2.92Å; D192-R194 VanDerWaalsContact OD1-N 3.09Å; D192-F198 HydrophobicContact CB-CB 3.94Å
193	D	95.3	Very high	96.3	Very high	80 Å²	80	50 Å²	50	43%	0.428	26%	0.261	S	S	.	.			trans	-82.3	-13.2	177.2	72.2	17.8	0	0	0	113.3	T195 G196 A197	D193-T195 PolarHBondContact O-N 3.14Å; D193-T195 WeakPolarHBondContact OD1-CA 3.35Å; D193-T195 PolarHBondContact OD1-N 3.12Å; D193-T195 PolarHBondContact OD1-OG1 3Å; D193-T195 PolarHBondContact OD2-OG1 2.86Å; D193-T195 VanDerWaalsContact OD2-OG1 3.1Å; D193-G196 PolarHBondContact OD1-N 3.04Å; D193-A197 PolarHBondContact N-O 2.83Å; D193-A197 PolarHBondContact OD1-N 3.41Å; D193-A197 WeakPolarHBondContact OD2-CB 3.49Å; D193-A197 PolarHBondContact OD2-N 3.4Å
194	R	92.8	Very high	96.3	Very high	104 Å²	104	53.1 Å²	53.1	39%	0.392	28%	0.276	S	S	.	.	S	Bend	trans	60.4	12.3	-176	-54.6	-169.7	179.5	-172.3	-5.5	115.7	Y154 R159 S179 D180 D192	Y154-R194 VanDerWaalsContact OH-CA 3.25Å; Y154-R194 WeakPolarHBondContact OH-CA 3.39Å; Y154-R194 PolarHBondContact OH-N 3.45Å; R159-R194 WeakPolarHBondContact CD-O 3.48Å; R159-R194 VanDerWaalsContact CG-O 3.3Å; R159-R194 WeakPolarHBondContact CG-O 3.16Å; S179-R194 PolarHBondContact O-NH2 3.45Å; D180-R194 VanDerWaalsContact CA-NH2 3.35Å; D180-R194 PolarHBondContact O-NH2 2.92Å; D180-R194 VanDerWaalsContact O-NH2 3.16Å; D192-R194 VanDerWaalsContact C-N 3.34Å; D192-R194 PolarHBondContact OD1-N 2.92Å; D192-R194 VanDerWaalsContact OD1-N 3.09Å
195	T	92.1	Very high	96.2	Very high	89 Å²	89	47.7 Å²	47.7	55%	0.546	25%	0.251	S	S	.	.	S	Bend	trans	-107.1	-34.4	178.1	69.3	0	0	0	0	111.9	R159 D193	R159-T195 PolarHBondContact NE-O 3.14Å; R159-T195 PolarHBondContact NH2-O 2.86Å; R159-T195 VanDerWaalsContact NH2-O 3.09Å; D193-T195 PolarHBondContact O-N 3.14Å; D193-T195 WeakPolarHBondContact OD1-CA 3.35Å; D193-T195 PolarHBondContact OD1-N 3.12Å; D193-T195 PolarHBondContact OD1-OG1 3Å; D193-T195 PolarHBondContact OD2-OG1 2.86Å; D193-T195 VanDerWaalsContact OD2-OG1 3.1Å
196	G	93.1	Very high	96.2	Very high	19 Å²	19	49.2 Å²	49.2	20%	0.196	26%	0.257	C	S	.	.	S	Bend	trans	166.5	-1	-178.6	0	0	0	0	0	115.2	L153 Y154 D193	L153-G196 CarbonylContact C-O 3.5Å; L153-G196 WeakPolarHBondContact CA-O 3.29Å; Y154-G196 VanDerWaalsContact CE1-C 3.47Å; Y154-G196 PolarHBondContact N-O 2.67Å; D193-G196 PolarHBondContact OD1-N 3.04Å
197	A	96.4	Very high	96.3	Very high	6 Å²	6	47.7 Å²	47.7	5%	0.05	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	148.1	178.1	0	0	0	0	0	112.5	E151 C152 L153 Y154 D193	E151-A197 HydrophobicContact CG-CB 4.4Å; C152-A197 WeakPolarHBondContact O-CA 3.27Å; L153-A197 HydrophobicContact CD2-CB 3.62Å; Y154-A197 VanDerWaalsContact CE1-C 3.4Å; Y154-A197 VanDerWaalsContact CE1-N 3.33Å; D193-A197 PolarHBondContact N-O 2.83Å; D193-A197 PolarHBondContact OD1-N 3.41Å; D193-A197 WeakPolarHBondContact OD2-CB 3.49Å; D193-A197 PolarHBondContact OD2-N 3.4Å
198	F	97.7	Very high	96.4	Very high	1 Å²	1	52.3 Å²	52.3	0%	0.004	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	149.6	163.4	70.7	-85.7	0	0	0	109.6	M133 C152 Y154 K163 I190 R191 D192 V200 C215	M133-F198 HydrophobicContact CE-CE1 3.58Å; M133-F198 HydrophobicContact CE-CZ 3.98Å; C152-F198 HydrophobicContact CB-CD1 4.15Å; C152-F198 HydrophobicContact CB-CD2 4.43Å; C152-F198 HydrophobicContact CB-CE1 3.67Å; C152-F198 HydrophobicContact CB-CE2 3.99Å; C152-F198 HydrophobicContact CB-CZ 3.6Å; C152-F198 PolarHBondContact N-O 3.23Å; C152-F198 PolarHBondContact O-N 2.91Å; Y154-F198 AromaticContact CD1-CD1 3.71Å; Y154-F198 HydrophobicContact CD1-CD1 3.71Å; Y154-F198 HydrophobicContact CD1-CE1 4.26Å; Y154-F198 HydrophobicContact CE1-CB 4.43Å; Y154-F198 AromaticContact CE1-CD1 3.9Å; Y154-F198 HydrophobicContact CE1-CD1 3.9Å; K163-F198 HydrophobicContact CB-CD1 3.97Å; K163-F198 HydrophobicContact CB-CD2 4.04Å; K163-F198 HydrophobicContact CB-CE1 4.11Å; K163-F198 HydrophobicContact CB-CE2 4.17Å; K163-F198 HydrophobicContact CB-CG 3.92Å; K163-F198 HydrophobicContact CB-CZ 4.2Å; K163-F198 HydrophobicContact CD-CD1 3.68Å; K163-F198 HydrophobicContact CD-CE1 3.9Å; K163-F198 HydrophobicContact CD-CG 4.35Å; K163-F198 HydrophobicContact CG-CB 4.13Å; K163-F198 HydrophobicContact CG-CD1 3.72Å; K163-F198 HydrophobicContact CG-CD2 4.5Å; K163-F198 HydrophobicContact CG-CE1 4.2Å; K163-F198 HydrophobicContact CG-CG 3.88Å; I190-F198 HydrophobicContact CG2-CD2 3.84Å; I190-F198 HydrophobicContact CG2-CE2 4.45Å; R191-F198 CarbonylContact O-C 3.56Å; R191-F198 VanDerWaalsContact O-CA 3.28Å; R191-F198 WeakPolarHBondContact O-CA 3.36Å; R191-F198 WeakPolarHBondContact O-CB 3.37Å; D192-F198 HydrophobicContact CB-CB 3.94Å; F198-V200 HydrophobicContact CD2-CG2 4.01Å; F198-V200 HydrophobicContact CE2-CG2 3.77Å; F198-C215 HydrophobicContact CE2-CB 4.37Å; F198-C215 HydrophobicContact CZ-CB 3.68Å
199	T	97.9	Very high	96.3	Very high	44 Å²	44	53 Å²	53	27%	0.27	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	137.8	-177.8	56.8	0	0	0	0	109.8	T149 I150 E151 I190 R191	T149-T199 HydrophobicContact CG2-CG2 4.21Å; I150-T199 CarbonylContact O-C 3.57Å; I150-T199 VanDerWaalsContact O-CA 3.27Å; I150-T199 WeakPolarHBondContact O-CA 3.44Å; E151-T199 HydrophobicContact CG-CG2 4.44Å; I190-T199 CarbonylContact C-O 3.53Å; I190-T199 VanDerWaalsContact CA-O 3.27Å; I190-T199 WeakPolarHBondContact CA-O 3.28Å; R191-T199 PolarHBondContact N-O 2.82Å; R191-T199 PolarHBondContact O-N 2.98Å; R191-T199 PolarHBondContact O-OG1 2.84Å
200	V	98	Very high	96.2	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	115.7	171.5	-177	0	0	0	0	107.4	T149 I150 W165 V188 A189 I190 F198	T149-V200 CarbonylContact C-O 3.56Å; T149-V200 WeakPolarHBondContact CA-O 3.48Å; I150-V200 HydrophobicContact CB-CB 4.39Å; I150-V200 WeakPolarHBondContact CD1-O 3.4Å; I150-V200 PolarHBondContact N-O 3.49Å; I150-V200 PolarHBondContact O-N 3.17Å; W165-V200 HydrophobicContact CB-CG1 4.41Å; W165-V200 HydrophobicContact CB-CG2 4.19Å; W165-V200 HydrophobicContact CD2-CB 4.35Å; W165-V200 HydrophobicContact CD2-CG1 3.82Å; W165-V200 HydrophobicContact CD2-CG2 4.05Å; W165-V200 HydrophobicContact CE3-CB 4.5Å; W165-V200 HydrophobicContact CE3-CG1 4.43Å; W165-V200 HydrophobicContact CE3-CG2 3.97Å; W165-V200 HydrophobicContact CG-CG1 3.8Å; W165-V200 HydrophobicContact CG-CG2 4.19Å; W165-V200 HydrophobicContact CZ2-CG1 4.44Å; V188-V200 HydrophobicContact CG1-CG1 3.78Å; A189-V200 CarbonylContact O-C 3.59Å; A189-V200 WeakPolarHBondContact O-CA 3.44Å; I190-V200 HydrophobicContact CG1-CG1 4.43Å; I190-V200 HydrophobicContact CG1-CG2 4.34Å; I190-V200 HydrophobicContact CG2-CG2 4.32Å; F198-V200 HydrophobicContact CD2-CG2 4.01Å; F198-V200 HydrophobicContact CE2-CG2 3.77Å
201	T	97.9	Very high	96.2	Very high	37 Å²	37	55.5 Å²	55.5	23%	0.227	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	114.9	-178.3	-59.7	0	0	0	0	109.9	V148 T149 V188 A189	V148-T201 CarbonylContact O-C 3.42Å; V148-T201 WeakPolarHBondContact O-CA 3.5Å; T149-T201 PolarHBondContact OG1-OG1 3.31Å; V188-T201 CarbonylContact C-O 3.58Å; V188-T201 VanDerWaalsContact CA-O 3.3Å; V188-T201 WeakPolarHBondContact CA-O 3.26Å; A189-T201 PolarHBondContact N-O 3.03Å; A189-T201 PolarHBondContact O-N 2.93Å
202	F	97.5	Very high	96.2	Very high	6 Å²	6	54.5 Å²	54.5	3%	0.026	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	120.8	160.4	-74.3	-88.8	0	0	0	108.3	A147 V148 I150 W165 V188 L205 D209 Y213 V226	A147-F202 CarbonylContact C-O 3.48Å; A147-F202 WeakPolarHBondContact CA-O 3.35Å; A147-F202 WeakPolarHBondContact CB-O 3.4Å; V148-F202 PolarHBondContact N-O 3.35Å; V148-F202 PolarHBondContact O-N 3.47Å; I150-F202 HydrophobicContact CD1-CD2 3.56Å; I150-F202 HydrophobicContact CD1-CE2 3.72Å; W165-F202 AromaticContact CZ2-CE2 3.81Å; W165-F202 HydrophobicContact CZ2-CE2 3.81Å; W165-F202 HydrophobicContact CZ2-CZ 4.11Å; W165-F202 AromaticContact NE1-CZ 3.76Å; V188-F202 HydrophobicContact CG2-CD1 3.84Å; V188-F202 HydrophobicContact CG2-CE1 3.86Å; F202-L205 HydrophobicContact CB-CD2 3.72Å; F202-L205 HydrophobicContact CB-CG 4.15Å; F202-L205 HydrophobicContact CD1-CD2 3.9Å; F202-L205 HydrophobicContact CD2-CD2 4.15Å; F202-L205 HydrophobicContact CG-CD2 3.66Å; F202-D209 HydrophobicContact CE1-CB 4.44Å; F202-Y213 HydrophobicContact CZ-CE1 4.12Å; F202-Y213 HydrophobicContact CZ-CE2 4.36Å; F202-Y213 AromaticContact CZ-CZ 3.93Å; F202-V226 HydrophobicContact CE2-CG2 4.2Å
203	K	97.2	Very high	96.2	Very high	77 Å²	77	54 Å²	54	34%	0.335	27%	0.265	S	S	.	.	S	Bend	trans	-74.8	-36.7	179.7	-65.3	178	176.1	179.3	0	111.9	E184 D185 S187	E184-K203 VanDerWaalsContact CG-NZ 3.31Å; E184-K203 WeakPolarHBondContact OE1-CE 3.45Å; E184-K203 IonicContact OE1-NZ 3.18Å; E184-K203 PolarHBondContact OE1-NZ 3Å; D185-K203 PolarHBondContact O-NZ 3.15Å; S187-K203 PolarHBondContact O-N 2.82Å
204	K	96.3	Very high	96.3	Very high	135 Å²	135	53.7 Å²	53.7	59%	0.587	26%	0.257	S	S	*	.	S	Bend	trans	-153.3	99.8	-179.4	-169.1	176.6	-175.4	176.7	0	110.2
205	L	96.2	Very high	96.5	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	24%	0.239	C	C	.	.			trans	-61.7	142.3	178.4	-74	173.5	0	0	0	111.9	G145 S146 V148 F202 D209 V226 V228	G145-L205 PolarHBondContact N-O 3.02Å; S146-L205 PolarHBondContact O-N 2.88Å; V148-L205 HydrophobicContact CB-CD1 4.05Å; V148-L205 HydrophobicContact CG2-CD1 3.45Å; V148-L205 VanDerWaalsContact CG2-CD1 3.45Å; V148-L205 HydrophobicContact CG2-CG 4.4Å; F202-L205 HydrophobicContact CB-CD2 3.72Å; F202-L205 HydrophobicContact CB-CG 4.15Å; F202-L205 HydrophobicContact CD1-CD2 3.9Å; F202-L205 HydrophobicContact CD2-CD2 4.15Å; F202-L205 HydrophobicContact CG-CD2 3.66Å; L205-D209 HydrophobicContact CD2-CB 4.43Å; L205-V226 HydrophobicContact CD2-CG1 4.1Å; L205-V228 HydrophobicContact CB-CG1 4.11Å; L205-V228 HydrophobicContact CB-CG2 4.14Å; L205-V228 HydrophobicContact CD1-CG2 4.28Å; L205-V228 HydrophobicContact CD2-CG2 4.01Å; L205-V228 HydrophobicContact CG-CG2 4.38Å
206	Q	95.7	Very high	96.7	Very high	79 Å²	79	45.3 Å²	45.3	37%	0.369	22%	0.218	S	C	.	.			trans	-121.4	151.4	172.1	-58.2	-178.1	9.7	0	0	109.2	K208 D209 V228	Q206-K208 HydrophobicContact CB-CG 4.12Å; Q206-K208 PolarHBondContact O-N 3.32Å; Q206-D209 WeakPolarHBondContact CB-OD2 3.39Å; Q206-D209 PolarHBondContact N-OD2 3.48Å; Q206-D209 VanDerWaalsContact O-CB 3.28Å; Q206-D209 WeakPolarHBondContact O-CB 3.34Å; Q206-D209 PolarHBondContact O-N 3.07Å; Q206-V228 WeakPolarHBondContact O-CG2 3.5Å
207	M	95.9	Very high	96.8	Very high	84 Å²	84	44.4 Å²	44.4	41%	0.414	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-52.7	-34.3	-179.9	-72.9	-60.8	-68.5	0	0	113.8	E144 D209 T210 V228 P230	E144-M207 HydrophobicContact CB-SD 4.48Å; E144-M207 WeakPolarHBondContact OE1-CG 3.49Å; E144-M207 PolarHBondContact OE1-N 2.88Å; M207-D209 PolarHBondContact O-N 2.79Å; M207-T210 PolarHBondContact O-N 2.69Å; M207-T210 PolarHBondContact O-OG1 2.99Å; M207-V228 HydrophobicContact SD-CB 4.35Å; M207-V228 HydrophobicContact SD-CG1 3.98Å; M207-P230 HydrophobicContact CE-CG 4.26Å
208	K	94.8	Very high	96.5	Very high	142 Å²	142	46.3 Å²	46.3	62%	0.617	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-66.5	-20.1	177.8	77.1	-171.7	-168.1	-158.6	0	114.1	R167 Q206 T210	R167-K208 PolarHBondContact NH1-O 3.19Å; R167-K208 PolarHBondContact NH2-O 2.94Å; R167-K208 VanDerWaalsContact NH2-O 3.08Å; Q206-K208 HydrophobicContact CB-CG 4.12Å; Q206-K208 PolarHBondContact O-N 3.32Å; K208-T210 PolarHBondContact O-N 2.79Å
209	D	95.8	Very high	96.1	Very high	22 Å²	22	55.1 Å²	55.1	12%	0.118	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-74.1	-9.7	-178.3	-58.6	-27.1	0	0	0	111.4	R167 F202 L205 Q206 M207 A211 Y213 V228	R167-D209 PolarHBondContact NH1-O 3.44Å; F202-D209 HydrophobicContact CE1-CB 4.44Å; L205-D209 HydrophobicContact CD2-CB 4.43Å; Q206-D209 WeakPolarHBondContact CB-OD2 3.39Å; Q206-D209 PolarHBondContact N-OD2 3.48Å; Q206-D209 VanDerWaalsContact O-CB 3.28Å; Q206-D209 WeakPolarHBondContact O-CB 3.34Å; Q206-D209 PolarHBondContact O-N 3.07Å; M207-D209 PolarHBondContact O-N 2.79Å; D209-A211 PolarHBondContact O-N 3.42Å; D209-Y213 VanDerWaalsContact O-CE2 3.27Å; D209-Y213 WeakPolarHBondContact O-CE2 3.42Å; D209-Y213 PolarHBondContact O-OH 2.81Å; D209-V228 HydrophobicContact CB-CG2 4.29Å
210	T	97	Very high	95.9	Very high	44 Å²	44	56.2 Å²	56.2	27%	0.27	27%	0.273	S	S	.	.			trans	-59.1	114.1	172.5	-59.2	0	0	0	0	110.9	R167 M207 K208 V226 L227 V228	R167-T210 PolarHBondContact NH2-O 2.86Å; R167-T210 VanDerWaalsContact NH2-O 3.14Å; M207-T210 PolarHBondContact O-N 2.69Å; M207-T210 PolarHBondContact O-OG1 2.99Å; K208-T210 PolarHBondContact O-N 2.79Å; T210-V226 VanDerWaalsContact CA-O 3.28Å; T210-V226 WeakPolarHBondContact CA-O 3.42Å; T210-L227 HydrophobicContact CG2-CD1 4Å; T210-V228 WeakPolarHBondContact OG1-CB 3.25Å; T210-V228 PolarHBondContact OG1-N 3.19Å; T210-V228 VanDerWaalsContact OG1-N 3.09Å
211	A	97.1	Very high	95.8	Very high	17 Å²	17	62.3 Å²	62.3	14%	0.14	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.5	173.6	176	0	0	0	0	0	112.8	R167 D209 Y213 V226	R167-A211 HydrophobicContact CG-CB 4.1Å; R167-A211 VanDerWaalsContact NH1-CB 3.27Å; D209-A211 PolarHBondContact O-N 3.42Å; A211-Y213 HydrophobicContact CB-CD2 4.33Å; A211-Y213 HydrophobicContact CB-CE2 3.83Å; A211-Y213 WeakPolarHBondContact O-CD2 3.37Å; A211-V226 PolarHBondContact N-O 2.99Å; A211-V226 VanDerWaalsContact N-O 3.13Å; A211-V226 PolarHBondContact O-N 2.97Å
212	W	97.9	Very high	95.7	Very high	134 Å²	134	61.7 Å²	61.7	51%	0.508	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	137.6	158	-70.6	96.6	0	0	0	111.2	S168 A223 H225	S168-W212 WeakPolarHBondContact CB-O 3.2Å; S168-W212 PolarHBondContact N-O 3.38Å; W212-A223 HydrophobicContact CE3-CB 4.01Å; W212-A223 HydrophobicContact CZ3-CB 4.08Å; W212-H225 AromaticContact CD1-CD2 3.68Å; W212-H225 HydrophobicContact CD2-CB 3.9Å; W212-H225 AromaticContact CD2-CD2 3.71Å; W212-H225 AromaticContact CE2-CD2 3.51Å; W212-H225 AromaticContact CE2-CG 3.95Å; W212-H225 HydrophobicContact CE3-CB 3.7Å; W212-H225 AromaticContact CG-CD2 3.84Å; W212-H225 HydrophobicContact CH2-CB 3.71Å; W212-H225 HydrophobicContact CZ2-CB 3.87Å; W212-H225 HydrophobicContact CZ3-CB 3.62Å; W212-H225 AromaticContact NE1-CD2 3.46Å; W212-H225 PolarHBondContact NE1-CD2 3.48Å
213	Y	97.9	Very high	95.7	Very high	14 Å²	14	62.7 Å²	62.7	6%	0.055	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	163.4	175.5	-69.2	-97	0	0	0	110.5	W165 C166 R167 F202 D209 A211 A223 V224 V226	W165-Y213 HydrophobicContact CD2-CD1 4.29Å; W165-Y213 AromaticContact CE2-CD1 3.4Å; W165-Y213 VanDerWaalsContact CE2-CD1 3.4Å; W165-Y213 AromaticContact CE2-CG 3.68Å; W165-Y213 HydrophobicContact CH2-CD1 4.39Å; W165-Y213 HydrophobicContact CH2-CD2 4.42Å; W165-Y213 AromaticContact CH2-CG 3.81Å; W165-Y213 HydrophobicContact CH2-CG 3.81Å; W165-Y213 AromaticContact CZ2-CD1 3.48Å; W165-Y213 HydrophobicContact CZ2-CD1 3.48Å; W165-Y213 VanDerWaalsContact CZ2-CD1 3.48Å; W165-Y213 AromaticContact CZ2-CD2 3.86Å; W165-Y213 HydrophobicContact CZ2-CD2 3.86Å; W165-Y213 HydrophobicContact CZ2-CE1 4.27Å; W165-Y213 AromaticContact CZ2-CG 3.23Å; W165-Y213 HydrophobicContact CZ2-CG 3.23Å; W165-Y213 AromaticContact NE1-CD1 3.34Å; W165-Y213 VanDerWaalsContact NE1-CD1 3.34Å; W165-Y213 AromaticContact NE1-CE1 3.7Å; C166-Y213 CarbonylContact O-C 3.53Å; C166-Y213 WeakPolarHBondContact O-CA 3.5Å; R167-Y213 HydrophobicContact CB-CD1 4.05Å; R167-Y213 HydrophobicContact CB-CE1 3.85Å; R167-Y213 HydrophobicContact CG-CD1 4.38Å; R167-Y213 HydrophobicContact CG-CE1 4Å; R167-Y213 PolarHBondContact NH1-OH 3.4Å; F202-Y213 HydrophobicContact CZ-CE1 4.12Å; F202-Y213 HydrophobicContact CZ-CE2 4.36Å; F202-Y213 AromaticContact CZ-CZ 3.93Å; D209-Y213 VanDerWaalsContact O-CE2 3.27Å; D209-Y213 WeakPolarHBondContact O-CE2 3.42Å; D209-Y213 PolarHBondContact O-OH 2.81Å; A211-Y213 HydrophobicContact CB-CD2 4.33Å; A211-Y213 HydrophobicContact CB-CE2 3.83Å; A211-Y213 WeakPolarHBondContact O-CD2 3.37Å; Y213-A223 WeakPolarHBondContact O-CA 3.13Å; Y213-V224 PolarHBondContact N-O 3.43Å; Y213-V224 PolarHBondContact O-N 3.43Å; Y213-V226 HydrophobicContact CD2-CB 4.18Å; Y213-V226 HydrophobicContact CD2-CG2 3.81Å; Y213-V226 HydrophobicContact CE2-CB 4.05Å; Y213-V226 HydrophobicContact CE2-CG2 4.06Å
214	W	97.6	Very high	95.7	Very high	72 Å²	72	59 Å²	59	27%	0.273	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	120.6	177.6	-63.7	102	0	0	0	109.8	W165 C166 S168 K221 T222 A223	W165-W214 WeakPolarHBondContact CA-O 3.29Å; C166-W214 HydrophobicContact CB-CB 4.42Å; C166-W214 PolarHBondContact N-O 2.91Å; C166-W214 PolarHBondContact O-N 2.8Å; S168-W214 PolarHBondContact OG-NE1 3.36Å; W214-K221 HydrophobicContact CD2-CD 4.07Å; W214-K221 HydrophobicContact CE3-CB 4.08Å; W214-K221 HydrophobicContact CE3-CD 3.79Å; W214-K221 HydrophobicContact CE3-CG 3.83Å; W214-K221 HydrophobicContact CZ3-CD 4.19Å; W214-K221 HydrophobicContact CZ3-CG 4.12Å; W214-T222 WeakPolarHBondContact CA-O 3.42Å; W214-A223 HydrophobicContact CE3-CB 3.98Å; W214-A223 HydrophobicContact CH2-CB 3.82Å; W214-A223 HydrophobicContact CZ2-CB 4.5Å; W214-A223 HydrophobicContact CZ3-CB 3.54Å
215	C	97.3	Very high	95.8	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	127.6	157.7	-86.5	0	0	0	0	108.2	M133 C152 W165 F198 K221 T222	M133-C215 HydrophobicContact CE-CB 3.98Å; C152-C215 HydrophobicContact CB-CB 3.59Å; C152-C215 WeakPolarHBondContact CB-SG 3.45Å; C152-C215 WeakPolarHBondContact SG-CB 3.35Å; C152-C215 CovalentContact SG-SG 2.02Å; C152-C215 PolarHBondContact SG-SG 2.93Å; W165-C215 HydrophobicContact CE3-CB 4.42Å; W165-C215 HydrophobicContact CZ3-CB 4.43Å; W165-C215 WeakPolarHBondContact CZ3-SG 3.37Å; F198-C215 HydrophobicContact CE2-CB 4.37Å; F198-C215 HydrophobicContact CZ-CB 3.68Å; C215-K221 CarbonylContact O-C 3.59Å; C215-K221 WeakPolarHBondContact O-CA 3.35Å; C215-T222 HydrophobicContact CB-CG2 3.76Å; C215-T222 PolarHBondContact N-O 3.44Å; C215-T222 PolarHBondContact O-N 3.48Å
216	S	96.1	Very high	95.9	Very high	17 Å²	17	54 Å²	54	12%	0.119	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	149.5	177.9	61	0	0	0	0	113.5	M133 K163 K164 Q220	M133-S216 VanDerWaalsContact SD-C 3.57Å; M133-S216 VanDerWaalsContact SD-CA 3.55Å; K163-S216 WeakPolarHBondContact CA-O 3.48Å; K164-S216 WeakPolarHBondContact CB-OG 3.41Å; K164-S216 PolarHBondContact N-O 3.43Å; K164-S216 PolarHBondContact O-N 3.05Å; S216-Q220 VanDerWaalsContact CA-O 3.24Å; S216-Q220 WeakPolarHBondContact CA-O 3.35Å; S216-Q220 VanDerWaalsContact CB-O 3.23Å; S216-Q220 WeakPolarHBondContact CB-O 3.22Å
217	A	95.6	Very high	95.9	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	120.1	176.3	0	0	0	0	0	107.5	M133 Y158 K163 Q219 Q220	M133-A217 HydrophobicContact CE-CB 4.05Å; M133-A217 HydrophobicContact CG-CB 4.5Å; M133-A217 HydrophobicContact SD-CB 3.65Å; M133-A217 PolarHBondContact SD-N 3.29Å; Y158-A217 HydrophobicContact CG-CB 4.23Å; K163-A217 HydrophobicContact CD-CB 3.64Å; A217-Q219 PolarHBondContact O-N 2.97Å; A217-Q220 PolarHBondContact N-O 3.03Å; A217-Q220 VanDerWaalsContact N-O 3.1Å; A217-Q220 PolarHBondContact O-N 3.49Å; A217-Q220 VanDerWaalsContact O-N 3.1Å
218	G	89.1	Confident	96	Very high	46 Å²	46	49.9 Å²	49.9	47%	0.474	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	-119.7	-171.1	0	0	0	0	0	112.1
219	Q	89.3	Confident	96	Very high	186 Å²	186	45.9 Å²	45.9	87%	0.869	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-8	178.7	-64.4	-178	1.6	0	0	113.6	A217	A217-Q219 PolarHBondContact O-N 2.97Å
220	Q	94.1	Very high	95.9	Very high	68 Å²	68	49.1 Å²	49.1	32%	0.318	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	150	-176.4	-61.9	-63.9	-18.8	0	0	110.5	M133 Y158 S216 A217	M133-Q220 HydrophobicContact CG-CB 3.9Å; M133-Q220 HydrophobicContact SD-CB 4.07Å; Y158-Q220 HydrophobicContact CE1-CG 4.45Å; Y158-Q220 HydrophobicContact CE2-CB 4.2Å; Y158-Q220 HydrophobicContact CE2-CG 3.66Å; Y158-Q220 VanDerWaalsContact CZ-CG 3.49Å; Y158-Q220 WeakPolarHBondContact OH-CG 3.42Å; S216-Q220 VanDerWaalsContact CA-O 3.24Å; S216-Q220 WeakPolarHBondContact CA-O 3.35Å; S216-Q220 VanDerWaalsContact CB-O 3.23Å; S216-Q220 WeakPolarHBondContact CB-O 3.22Å; A217-Q220 PolarHBondContact N-O 3.03Å; A217-Q220 VanDerWaalsContact N-O 3.1Å; A217-Q220 PolarHBondContact O-N 3.49Å; A217-Q220 VanDerWaalsContact O-N 3.1Å
221	K	94.7	Very high	95.1	Very high	128 Å²	128	53.1 Å²	53.1	56%	0.557	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-150.4	149.3	177.1	64	-176.6	179.7	178.7	0	111.7	W214 C215	W214-K221 HydrophobicContact CD2-CD 4.07Å; W214-K221 HydrophobicContact CE3-CB 4.08Å; W214-K221 HydrophobicContact CE3-CD 3.79Å; W214-K221 HydrophobicContact CE3-CG 3.83Å; W214-K221 HydrophobicContact CZ3-CD 4.19Å; W214-K221 HydrophobicContact CZ3-CG 4.12Å; C215-K221 CarbonylContact O-C 3.59Å; C215-K221 WeakPolarHBondContact O-CA 3.35Å
222	T	96.8	Very high	93.7	Very high	23 Å²	23	57.4 Å²	57.4	14%	0.141	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	145.4	172.4	-172	0	0	0	0	110.2	M133 A135 W214 C215	M133-T222 HydrophobicContact CB-CG2 4.19Å; A135-T222 HydrophobicContact CB-CG2 4.28Å; W214-T222 WeakPolarHBondContact CA-O 3.42Å; C215-T222 HydrophobicContact CB-CG2 3.76Å; C215-T222 PolarHBondContact N-O 3.44Å; C215-T222 PolarHBondContact O-N 3.48Å
223	A	97.4	Very high	91.6	Very high	27 Å²	27	56.3 Å²	56.3	22%	0.223	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	139.1	-177.5	0	0	0	0	0	110.8	W212 Y213 W214	W212-A223 HydrophobicContact CE3-CB 4.01Å; W212-A223 HydrophobicContact CZ3-CB 4.08Å; Y213-A223 WeakPolarHBondContact O-CA 3.13Å; W214-A223 HydrophobicContact CE3-CB 3.98Å; W214-A223 HydrophobicContact CH2-CB 3.82Å; W214-A223 HydrophobicContact CZ2-CB 4.5Å; W214-A223 HydrophobicContact CZ3-CB 3.54Å
224	V	97.9	Very high	89.4	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	129.5	171.4	-177.6	0	0	0	0	108.6	A135 M140 I150 W165 Y213	A135-V224 HydrophobicContact CB-CG2 3.63Å; M140-V224 HydrophobicContact CG-CG1 4.09Å; I150-V224 HydrophobicContact CG2-CB 4.47Å; I150-V224 HydrophobicContact CG2-CG1 3.93Å; I150-V224 HydrophobicContact CG2-CG2 4.1Å; W165-V224 HydrophobicContact CH2-CB 4.07Å; W165-V224 HydrophobicContact CH2-CG1 4.42Å; W165-V224 HydrophobicContact CZ3-CB 4.3Å; W165-V224 HydrophobicContact CZ3-CG2 4.41Å; Y213-V224 PolarHBondContact N-O 3.43Å; Y213-V224 PolarHBondContact O-N 3.43Å
225	H	97.8	Very high	86.9	Confident	31 Å²	31	65.1 Å²	65.1	14%	0.144	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	129.7	171.9	-170.1	-109	0	0	0	109.9	S138 M139 M140 W212	S138-H225 PolarHBondContact O-N 3.03Å; M139-H225 HydrophobicContact CE-CB 4.32Å; M139-H225 WeakPolarHBondContact CE-ND1 3.39Å; M139-H225 HydrophobicContact SD-CB 3.82Å; M139-H225 PolarHBondContact SD-ND1 3.41Å; M140-H225 PolarHBondContact N-O 3.29Å; W212-H225 AromaticContact CD1-CD2 3.68Å; W212-H225 HydrophobicContact CD2-CB 3.9Å; W212-H225 AromaticContact CD2-CD2 3.71Å; W212-H225 AromaticContact CE2-CD2 3.51Å; W212-H225 AromaticContact CE2-CG 3.95Å; W212-H225 HydrophobicContact CE3-CB 3.7Å; W212-H225 AromaticContact CG-CD2 3.84Å; W212-H225 HydrophobicContact CH2-CB 3.71Å; W212-H225 HydrophobicContact CZ2-CB 3.87Å; W212-H225 HydrophobicContact CZ3-CB 3.62Å; W212-H225 AromaticContact NE1-CD2 3.46Å; W212-H225 PolarHBondContact NE1-CD2 3.48Å
226	V	97.3	Very high	84.7	Confident	1 Å²	1	70.2 Å²	70.2	1%	0.006	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	121.6	173.9	-178.8	0	0	0	0	107.8	M140 W165 F202 L205 T210 A211 Y213 V228	M140-V226 WeakPolarHBondContact O-CA 3.32Å; W165-V226 HydrophobicContact CZ2-CG2 4.41Å; F202-V226 HydrophobicContact CE2-CG2 4.2Å; L205-V226 HydrophobicContact CD2-CG1 4.1Å; T210-V226 VanDerWaalsContact CA-O 3.28Å; T210-V226 WeakPolarHBondContact CA-O 3.42Å; A211-V226 PolarHBondContact N-O 2.99Å; A211-V226 VanDerWaalsContact N-O 3.13Å; A211-V226 PolarHBondContact O-N 2.97Å; Y213-V226 HydrophobicContact CD2-CB 4.18Å; Y213-V226 HydrophobicContact CD2-CG2 3.81Å; Y213-V226 HydrophobicContact CE2-CB 4.05Å; Y213-V226 HydrophobicContact CE2-CG2 4.06Å; V226-V228 HydrophobicContact CG1-CG2 4.49Å
227	L	97	Very high	82	Confident	70 Å²	70	78 Å²	78	37%	0.366	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	117.6	177.3	179.1	64.1	0	0	0	110.1	M140 S141 G142 T210	M140-L227 PolarHBondContact O-N 3.46Å; S141-L227 VanDerWaalsContact CA-O 3.25Å; S141-L227 WeakPolarHBondContact CA-O 3.31Å; G142-L227 PolarHBondContact N-O 2.94Å; G142-L227 VanDerWaalsContact N-O 3.08Å; T210-L227 HydrophobicContact CG2-CD1 4Å
228	V	97	Very high	79.6	Confident	5 Å²	5	83.8 Å²	83.8	3%	0.03	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	124.4	175.8	-170.8	0	0	0	0	109.6	G142 E144 L205 Q206 M207 D209 T210 V226	G142-V228 CarbonylContact O-C 3.56Å; G142-V228 VanDerWaalsContact O-CA 3.31Å; G142-V228 WeakPolarHBondContact O-CA 3.29Å; E144-V228 HydrophobicContact CB-CG1 4.08Å; L205-V228 HydrophobicContact CB-CG1 4.11Å; L205-V228 HydrophobicContact CB-CG2 4.14Å; L205-V228 HydrophobicContact CD1-CG2 4.28Å; L205-V228 HydrophobicContact CD2-CG2 4.01Å; L205-V228 HydrophobicContact CG-CG2 4.38Å; Q206-V228 WeakPolarHBondContact O-CG2 3.5Å; M207-V228 HydrophobicContact SD-CB 4.35Å; M207-V228 HydrophobicContact SD-CG1 3.98Å; D209-V228 HydrophobicContact CB-CG2 4.29Å; T210-V228 WeakPolarHBondContact OG1-CB 3.25Å; T210-V228 PolarHBondContact OG1-N 3.19Å; T210-V228 VanDerWaalsContact OG1-N 3.09Å; V226-V228 HydrophobicContact CG1-CG2 4.49Å
229	T	95.7	Very high	77.5	Confident	59 Å²	59	89.3 Å²	89.3	36%	0.362	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	147.4	175.6	55.9	0	0	0	0	110.5	G142 A143 E144 Q231	G142-T229 PolarHBondContact O-N 3.49Å; G142-T229 PolarHBondContact O-OG1 3.38Å; A143-T229 CarbonylContact C-O 3.48Å; A143-T229 WeakPolarHBondContact CA-O 3.38Å; E144-T229 PolarHBondContact N-O 3.37Å; T229-Q231 PolarHBondContact O-N 3.17Å
230	P	92.4	Very high	74.9	Confident	90 Å²	90	89.2 Å²	89.2	58%	0.584	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-57.2	142.7	173.8	-20.4	31	0	0	0	110.3	M207	M207-P230 HydrophobicContact CE-CG 4.26Å
231	Q	82.1	Confident	72.6	Confident	127 Å²	127	94.9 Å²	94.9	59%	0.593	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-59.7	131.7	172.1	-169.5	176	4.1	0	0	109	T229 T233	T229-Q231 PolarHBondContact O-N 3.17Å; Q231-T233 VanDerWaalsContact C-N 3.29Å; Q231-T233 PolarHBondContact O-N 3.1Å
232	P	67	Low	69.9	Low	107 Å²	107	95.1 Å²	95.1	70%	0.695	53%	0.529	S	S	*	.			trans	-66.5	95.8	170.7	24.2	-29.3	0	0	0	107.8	T234	P232-T234 PolarHBondContact O-N 2.9Å
233	T	52.8	Low	67.4	Low	111 Å²	111	99.1 Å²	99.1	68%	0.681	56%	0.556	S	S	*	*			trans	-64.8	118	167.5	35.3	0	0	0	0	107.4	Q231 D235	Q231-T233 VanDerWaalsContact C-N 3.29Å; Q231-T233 PolarHBondContact O-N 3.1Å; T233-D235 PolarHBondContact O-N 2.7Å
234	T	52.6	Low	64.7	Low	143 Å²	143	104.5 Å²	104.5	88%	0.877	59%	0.586	S	S	*	*			trans	-72.5	63.9	166.6	-43.2	0	0	0	0	108.4	P232	P232-T234 PolarHBondContact O-N 2.9Å
235	D	44.7	Very low	61.7	Low	128 Å²	128	110.7 Å²	110.7	68%	0.684	62%	0.624	S	S	*	*			trans	-128.1	73.9	167.2	-88.6	-42	0	0	0	106.9	T233 K237	T233-D235 PolarHBondContact O-N 2.7Å; D235-K237 PolarHBondContact O-N 2.67Å
236	A	50.8	Low	58.8	Low	108 Å²	108	114.1 Å²	114.1	89%	0.893	65%	0.649	S	S	*	*			trans	-67.6	76.1	158.4	0	0	0	0	0	108
237	K	39.7	Very low	55.8	Low	179 Å²	179	119.9 Å²	119.9	78%	0.778	69%	0.689	S	S	*	*			trans	-112.5	90	171.3	-146.9	176.3	-171.7	177.4	0	109.2	D235	D235-K237 PolarHBondContact O-N 2.67Å
238	T	44.6	Very low	52.9	Low	122 Å²	122	125 Å²	125	75%	0.748	71%	0.711	S	S	*	*			trans	21	106.3	148.5	-46	0	0	0	0	117.3
239	I	45.7	Very low	50.1	Low	162 Å²	162	130.2 Å²	130.2	83%	0.831	75%	0.748	S	S	*	*			trans	-129.4	90.4	146.4	-57	179.4	0	0	0	105.2
240	K	34.7	Very low	47.7	Very low	185 Å²	185	136.9 Å²	136.9	80%	0.804	77%	0.772	S	S	*	*				47.5	99.1	109.8	-76.9	-166	177	-175.3	0	113.1
241	E	46.4	Very low	45.3	Very low	187 Å²	187	137.8 Å²	137.8	87%	0.874	78%	0.778	S	S	*	*			trans	-39.7	156.3	153.1	-121.6	171.7	174.5	0	0	113
242	V	36.5	Very low	43.4	Very low	132 Å²	132	139.3 Å²	139.3	80%	0.8	79%	0.79	S	S	*	*			trans	124	140.5	158.7	176.8	0	0	0	0	111.9
243	P	44.3	Very low	42.3	Very low	107 Å²	107	142.3 Å²	142.3	70%	0.695	80%	0.799	S	S	*	*			cis	-126.3	156.6	-26	27.4	-7.9	0	0	0	114.4
244	T	41.4	Very low	42.5	Very low	140 Å²	140	142.4 Å²	142.4	86%	0.859	80%	0.802	S	S	*	*			trans	-54.8	134	160.2	-48.7	0	0	0	0	113.1
245	V	35	Very low	42.3	Very low	130 Å²	130	141.2 Å²	141.2	79%	0.788	80%	0.797	S	S	*	*			trans	-142.6	144.8	165.2	173.3	0	0	0	0	107.7
246	P	37.8	Very low	42.2	Very low	104 Å²	104	140.3 Å²	140.3	68%	0.675	81%	0.807	S	S	*	*			trans	-91.2	145.6	-134.1	33.1	-33.6	0	0	0	115	Q248	P246-Q248 PolarHBondContact O-N 2.93Å
247	S	33.2	Very low	41.7	Very low	122 Å²	122	144.5 Å²	144.5	85%	0.853	81%	0.805	S	S	*	*			trans	-65.8	115.7	161.1	43	0	0	0	0	110.2
248	Q	36.5	Very low	41.8	Very low	178 Å²	178	141.1 Å²	141.1	83%	0.832	80%	0.801	S	S	*	*			trans	-76.4	131.5	169.9	-76.8	-177.7	-23.5	0	0	110.7	P246	P246-Q248 PolarHBondContact O-N 2.93Å
249	S	38.7	Very low	41.9	Very low	114 Å²	114	143.2 Å²	143.2	80%	0.797	81%	0.806	S	S	*	*			trans	-65.6	139.3	171.6	49.7	0	0	0	0	112.7
250	F	45	Very low	41.2	Very low	199 Å²	199	141.4 Å²	141.4	87%	0.873	80%	0.803	S	S	*	*			trans	-105	148.2	155.3	-86.5	-86.2	0	0	0	110.3
251	P	41.7	Very low	41.5	Very low	109 Å²	109	142.9 Å²	142.9	71%	0.708	80%	0.803	S	S	*	*			trans	-85.4	140.8	-162.5	-6.2	25.5	0	0	0	114.6
252	D	42.2	Very low	40.7	Very low	158 Å²	158	141.8 Å²	141.8	85%	0.845	80%	0.798	S	S	*	*			trans	3.9	118.5	149.4	-60.1	-46.7	0	0	0	119
253	L	44.1	Very low	40.6	Very low	170 Å²	170	140.4 Å²	140.4	89%	0.89	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-87.2	138.6	151.2	-97.2	104.2	0	0	0	110.2
254	P	57.7	Low	39.6	Very low	114 Å²	114	146.7 Å²	146.7	74%	0.74	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-75.8	160.6	-174.5	28.5	-33.2	0	0	0	114.3
255	P	47.6	Very low	39	Very low	118 Å²	118	144 Å²	144	77%	0.766	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-82.5	151.1	-161	32.8	-35.5	0	0	0	114.1
256	A	42.4	Very low	38.8	Very low	108 Å²	108	141.8 Å²	141.8	89%	0.893	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-68.5	130	163	0	0	0	0	0	110.5
257	K	41.4	Very low	38.4	Very low	196 Å²	196	145 Å²	145	85%	0.852	78%	0.783	S	S	*	*			trans	-107.2	162.4	171.5	-110.4	-163.1	174.4	172.9	0	110.6
258	P	41.8	Very low	38.8	Very low	108 Å²	108	144.6 Å²	144.6	70%	0.701	78%	0.78	S	S	*	*			trans	-104.8	168.2	-134	16.4	5.9	0	0	0	113.3	T260	P258-T260 PolarHBondContact O-N 2.67Å
259	I	45.2	Very low	39.5	Very low	166 Å²	166	141.1 Å²	141.1	85%	0.851	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-48.6	121.8	170.9	-60.4	160.4	0	0	0	111.1
260	T	32.7	Very low	39.7	Very low	124 Å²	124	144 Å²	144	76%	0.761	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-100.7	121.5	158.8	25.7	0	0	0	0	109.4	P258	P258-T260 PolarHBondContact O-N 2.67Å
261	R	39.8	Very low	39.9	Very low	216 Å²	216	141.2 Å²	141.2	82%	0.815	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-67.6	133.2	157.2	-85.8	-168.9	-178	176.1	1.6	107.8
262	E	30.2	Very low	40.3	Very low	164 Å²	164	140.5 Å²	140.5	77%	0.766	77%	0.772	S	S	*	*			trans	-111.8	123.7	149.9	-71.1	-61.9	160.9	0	0	108.5
263	T	33.2	Very low	40.9	Very low	103 Å²	103	137.6 Å²	137.6	63%	0.632	76%	0.764	S	S	*	*			trans	-90.7	123.8	165.8	-63.3	0	0	0	0	105.9
264	W	24.9	Very low	41.4	Very low	240 Å²	240	134.1 Å²	134.1	91%	0.909	75%	0.75	S	S	*	*			trans	-142.6	134.2	142.6	-131.3	-69.2	0	0	0	112.1
265	S	28.9	Very low	41.2	Very low	83 Å²	83	133.6 Å²	133.6	58%	0.58	74%	0.744	S	S	*	*			trans	-88.7	152.7	-171	53.6	0	0	0	0	112.8
266	S	29.1	Very low	41.7	Very low	83 Å²	83	132.3 Å²	132.3	58%	0.58	73%	0.734	S	S	*	*				109.7	137.8	121.9	-140.6	0	0	0	0	119.4
267	H	29.7	Very low	42.3	Very low	173 Å²	173	131.1 Å²	131.1	80%	0.801	72%	0.719	S	S	*	*			trans	78	133.6	164.7	-41.6	105.5	0	0	0	115.5
268	S	42	Very low	43.4	Very low	113 Å²	113	125.1 Å²	125.1	79%	0.79	70%	0.701	S	S	*	*			cis	-166.4	170	12.8	-142.4	0	0	0	0	108.4
269	P	51.1	Low	44.9	Very low	104 Å²	104	122.5 Å²	122.5	68%	0.675	69%	0.686	S	S	*	*			trans	-88.5	155.2	-163.1	37	-32.1	0	0	0	112.7
270	M	43.6	Very low	46.4	Very low	174 Å²	174	119 Å²	119	86%	0.857	67%	0.672	S	S	*	*			trans	153.3	98	146.3	-87.5	-78.9	135.4	0	0	107.3
271	L	48.5	Very low	48.5	Very low	142 Å²	142	118.5 Å²	118.5	74%	0.743	66%	0.663	S	S	*	*			trans	-175.5	42.6	156.9	-99.1	164.8	0	0	0	110.9	S273 V274	L271-S273 VanDerWaalsContact C-N 3.28Å; L271-S273 PolarHBondContact O-N 3.01Å; L271-V274 HydrophobicContact CD2-CG2 4.04Å
272	A	49.5	Very low	50.4	Low	93 Å²	93	114.8 Å²	114.8	77%	0.769	65%	0.653	S	S	*	*			trans	-81.3	3	-179.4	0	0	0	0	0	114.6
273	S	54.8	Low	53.1	Low	97 Å²	97	112.5 Å²	112.5	68%	0.678	65%	0.646	S	S	*	*	S	Bend	trans	-99.8	-21.5	-174	-162.9	0	0	0	0	114.4	L271	L271-S273 VanDerWaalsContact C-N 3.28Å; L271-S273 PolarHBondContact O-N 3.01Å
274	V	54.3	Low	55.4	Low	98 Å²	98	110 Å²	110	59%	0.594	64%	0.636	S	S	*	*	H	α-helix	trans	-89.8	-23.1	-172.8	-175.8	0	0	0	0	112.9	L271 S278	L271-V274 HydrophobicContact CD2-CG2 4.04Å; V274-S278 PolarHBondContact O-OG 2.79Å
275	V	55	Low	58.3	Low	102 Å²	102	102 Å²	102	62%	0.618	61%	0.613	S	S	*	*	H	α-helix	trans	-77.2	-24.9	-178.3	-177.3	0	0	0	0	112.5	S278 S279	V275-S278 PolarHBondContact O-OG 3Å; V275-S279 PolarHBondContact O-OG 3.23Å
276	V	56.7	Low	61.2	Low	91 Å²	91	101.3 Å²	101.3	55%	0.552	61%	0.605	S	S	*	*	H	α-helix	trans	-77.3	-34.4	-178.9	-176.6	0	0	0	0	111.3	S279 V280	V276-S279 PolarHBondContact O-OG 3.49Å; V276-V280 WeakPolarHBondContact O-CG2 3.46Å; V276-V280 PolarHBondContact O-N 3Å
277	C	55.9	Low	63.9	Low	84 Å²	84	99.5 Å²	99.5	57%	0.568	60%	0.595	S	S	*	*	H	α-helix	trans	-77.1	-33	-179.7	-67.1	0	0	0	0	113.2	I281	C277-I281 WeakPolarHBondContact O-CG1 3.44Å; C277-I281 PolarHBondContact O-N 2.7Å
278	S	64.9	Low	66.6	Low	69 Å²	69	96.7 Å²	96.7	48%	0.483	59%	0.585	S	S	.	*	H	α-helix	trans	-71	-34.7	178	55.3	0	0	0	0	112.6	V274 V275 F282	V274-S278 PolarHBondContact O-OG 2.79Å; V275-S278 PolarHBondContact O-OG 3Å; S278-F282 WeakPolarHBondContact O-CB 3.41Å; S278-F282 PolarHBondContact O-N 2.92Å
279	S	71.9	Confident	68.6	Low	54 Å²	54	96.3 Å²	96.3	38%	0.378	57%	0.573	S	S	.	*	H	α-helix	trans	-69.4	-37.1	177.4	47.4	0	0	0	0	112.8	V275 V276 F282 L283	V275-S279 PolarHBondContact O-OG 3.23Å; V276-S279 PolarHBondContact O-OG 3.49Å; S279-F282 PolarHBondContact O-N 3.18Å; S279-L283 WeakPolarHBondContact O-CB 3.26Å; S279-L283 VanDerWaalsContact O-CG 3.27Å; S279-L283 WeakPolarHBondContact O-CG 3.31Å; S279-L283 PolarHBondContact O-N 2.91Å
280	V	77.6	Confident	70.2	Confident	92 Å²	92	94 Å²	94	56%	0.558	56%	0.563	S	S	*	*	H	α-helix	trans	-67.4	-42.3	177	176.9	0	0	0	0	111.7	V276 L283 A284	V276-V280 WeakPolarHBondContact O-CG2 3.46Å; V276-V280 PolarHBondContact O-N 3Å; V280-L283 PolarHBondContact O-N 2.91Å; V280-A284 PolarHBondContact O-N 2.94Å
281	I	77.4	Confident	71.8	Confident	114 Å²	114	89.7 Å²	89.7	59%	0.585	54%	0.543	S	S	*	.	H	α-helix	trans	-65.9	-41.9	176.9	-64.2	170	0	0	0	110.3	C277 L283 A284 V285	C277-I281 WeakPolarHBondContact O-CG1 3.44Å; C277-I281 PolarHBondContact O-N 2.7Å; I281-L283 PolarHBondContact O-N 2.87Å; I281-A284 PolarHBondContact O-N 3.04Å; I281-V285 HydrophobicContact CG2-CG2 4.47Å; I281-V285 WeakPolarHBondContact O-CG2 3.41Å; I281-V285 PolarHBondContact O-N 3.06Å
282	F	79.8	Confident	73.4	Confident	138 Å²	138	89.4 Å²	89.4	61%	0.605	54%	0.536	S	S	*	.	H	α-helix	trans	-60.7	-45.5	176.6	-174.7	-102	0	0	0	112.1	S278 S279 A284 V285 V286	S278-F282 WeakPolarHBondContact O-CB 3.41Å; S278-F282 PolarHBondContact O-N 2.92Å; S279-F282 PolarHBondContact O-N 3.18Å; F282-A284 VanDerWaalsContact C-N 3.34Å; F282-A284 PolarHBondContact O-N 2.6Å; F282-V285 PolarHBondContact O-N 3.46Å; F282-V286 HydrophobicContact CD1-CG2 4.16Å; F282-V286 HydrophobicContact CE1-CG2 3.84Å; F282-V286 HydrophobicContact CE2-CG2 4.43Å; F282-V286 HydrophobicContact CZ-CG2 3.99Å; F282-V286 VanDerWaalsContact O-CG2 3.29Å; F282-V286 WeakPolarHBondContact O-CG2 3.25Å; F282-V286 PolarHBondContact O-N 2.93Å
283	L	85.3	Confident	74.6	Confident	115 Å²	115	92.1 Å²	92.1	60%	0.602	53%	0.53	S	S	*	.	H	α-helix	trans	-64.1	-37.1	177.3	-70.9	172.7	0	0	0	112.6	S279 V280 I281 V286 A287	S279-L283 WeakPolarHBondContact O-CB 3.26Å; S279-L283 VanDerWaalsContact O-CG 3.27Å; S279-L283 WeakPolarHBondContact O-CG 3.31Å; S279-L283 PolarHBondContact O-N 2.91Å; V280-L283 PolarHBondContact O-N 2.91Å; I281-L283 PolarHBondContact O-N 2.87Å; L283-V286 PolarHBondContact O-N 2.86Å; L283-A287 WeakPolarHBondContact O-CB 3.5Å; L283-A287 PolarHBondContact O-N 2.87Å
284	A	82	Confident	75	Confident	51 Å²	51	96.9 Å²	96.9	42%	0.421	53%	0.533	S	S	.	.	H	α-helix	trans	-65.6	-42.6	175.1	0	0	0	0	0	112	V280 I281 F282 A287 I288	V280-A284 PolarHBondContact O-N 2.94Å; I281-A284 PolarHBondContact O-N 3.04Å; F282-A284 VanDerWaalsContact C-N 3.34Å; F282-A284 PolarHBondContact O-N 2.6Å; A284-A287 PolarHBondContact O-N 3.13Å; A284-I288 VanDerWaalsContact O-CG1 3.25Å; A284-I288 WeakPolarHBondContact O-CG1 3.38Å; A284-I288 PolarHBondContact O-N 3.02Å
285	V	86.8	Confident	75.7	Confident	73 Å²	73	101.1 Å²	101.1	44%	0.442	54%	0.539	S	S	.	.	H	α-helix	trans	-63.4	-45.4	175.8	173.7	0	0	0	0	110.7	I281 F282 A287 I288 L289	I281-V285 HydrophobicContact CG2-CG2 4.47Å; I281-V285 WeakPolarHBondContact O-CG2 3.41Å; I281-V285 PolarHBondContact O-N 3.06Å; F282-V285 PolarHBondContact O-N 3.46Å; V285-A287 VanDerWaalsContact C-N 3.33Å; V285-A287 PolarHBondContact O-N 3.31Å; V285-I288 PolarHBondContact O-N 2.88Å; V285-L289 HydrophobicContact CG1-CD1 4.03Å; V285-L289 HydrophobicContact CG1-CG 4.37Å; V285-L289 WeakPolarHBondContact O-CB 3.27Å; V285-L289 WeakPolarHBondContact O-CG 3.39Å; V285-L289 PolarHBondContact O-N 2.96Å
286	V	89.3	Confident	75.8	Confident	67 Å²	67	101.6 Å²	101.6	41%	0.406	54%	0.537	S	S	.	.	H	α-helix	trans	-61.7	-41.4	176.7	173	0	0	0	0	111.2	F282 L283 L289 A290	F282-V286 HydrophobicContact CD1-CG2 4.16Å; F282-V286 HydrophobicContact CE1-CG2 3.84Å; F282-V286 HydrophobicContact CE2-CG2 4.43Å; F282-V286 HydrophobicContact CZ-CG2 3.99Å; F282-V286 VanDerWaalsContact O-CG2 3.29Å; F282-V286 WeakPolarHBondContact O-CG2 3.25Å; F282-V286 PolarHBondContact O-N 2.93Å; L283-V286 PolarHBondContact O-N 2.86Å; V286-L289 PolarHBondContact O-N 3Å; V286-A290 VanDerWaalsContact O-CB 3.27Å; V286-A290 WeakPolarHBondContact O-CB 3.34Å; V286-A290 PolarHBondContact O-N 2.88Å
287	A	86.5	Confident	75.6	Confident	46 Å²	46	102.7 Å²	102.7	38%	0.38	54%	0.536	S	S	.	.	H	α-helix	trans	-64.2	-41.3	175.9	0	0	0	0	0	112.2	L283 A284 V285 A290 I291	L283-A287 WeakPolarHBondContact O-CB 3.5Å; L283-A287 PolarHBondContact O-N 2.87Å; A284-A287 PolarHBondContact O-N 3.13Å; V285-A287 VanDerWaalsContact C-N 3.33Å; V285-A287 PolarHBondContact O-N 3.31Å; A287-A290 PolarHBondContact O-N 3.31Å; A287-I291 WeakPolarHBondContact O-CB 3.42Å; A287-I291 WeakPolarHBondContact O-CD1 3.5Å; A287-I291 WeakPolarHBondContact O-CG1 2.95Å; A287-I291 PolarHBondContact O-N 2.9Å
288	I	85.6	Confident	75.1	Confident	113 Å²	113	106.8 Å²	106.8	58%	0.579	54%	0.544	S	S	*	.	H	α-helix	trans	-65.1	-43	176.2	-68.5	164.6	0	0	0	110.8	A284 V285 I291 K292	A284-I288 VanDerWaalsContact O-CG1 3.25Å; A284-I288 WeakPolarHBondContact O-CG1 3.38Å; A284-I288 PolarHBondContact O-N 3.02Å; V285-I288 PolarHBondContact O-N 2.88Å; I288-I291 PolarHBondContact O-N 2.86Å; I288-K292 WeakPolarHBondContact O-CB 3.42Å; I288-K292 PolarHBondContact O-N 2.89Å
289	L	84.9	Confident	74.4	Confident	105 Å²	105	108.2 Å²	108.2	55%	0.55	56%	0.555	S	S	.	*	H	α-helix	trans	-64.3	-42.8	175.9	-70.7	176.4	0	0	0	111.4	V285 V286 K292 F293	V285-L289 HydrophobicContact CG1-CD1 4.03Å; V285-L289 HydrophobicContact CG1-CG 4.37Å; V285-L289 WeakPolarHBondContact O-CB 3.27Å; V285-L289 WeakPolarHBondContact O-CG 3.39Å; V285-L289 PolarHBondContact O-N 2.96Å; V286-L289 PolarHBondContact O-N 3Å; L289-K292 PolarHBondContact O-N 3.26Å; L289-F293 VanDerWaalsContact O-CB 3.23Å; L289-F293 WeakPolarHBondContact O-CB 3.46Å; L289-F293 PolarHBondContact O-N 3.31Å
290	A	83.5	Confident	73.4	Confident	55 Å²	55	108.8 Å²	108.8	46%	0.455	55%	0.553	S	S	.	*	H	α-helix	trans	-62.2	-44.1	175.1	0	0	0	0	0	111.3	V286 A287 K292 F293 W294	V286-A290 VanDerWaalsContact O-CB 3.27Å; V286-A290 WeakPolarHBondContact O-CB 3.34Å; V286-A290 PolarHBondContact O-N 2.88Å; A287-A290 PolarHBondContact O-N 3.31Å; A290-K292 PolarHBondContact O-N 2.83Å; A290-F293 PolarHBondContact O-N 2.8Å; A290-W294 WeakPolarHBondContact O-CB 3.49Å; A290-W294 PolarHBondContact O-N 3.49Å
291	I	77.9	Confident	71.9	Confident	85 Å²	85	113.2 Å²	113.2	44%	0.436	56%	0.56	S	S	.	*	H	α-helix	trans	-64.3	-41	176.2	-68.7	162.8	0	0	0	110.9	A287 I288 W294 R295	A287-I291 WeakPolarHBondContact O-CB 3.42Å; A287-I291 WeakPolarHBondContact O-CD1 3.5Å; A287-I291 WeakPolarHBondContact O-CG1 2.95Å; A287-I291 PolarHBondContact O-N 2.9Å; I288-I291 PolarHBondContact O-N 2.86Å; I291-W294 PolarHBondContact O-N 2.88Å; I291-R295 WeakPolarHBondContact O-CB 3.04Å; I291-R295 VanDerWaalsContact O-CG 3.31Å; I291-R295 WeakPolarHBondContact O-CG 3.41Å; I291-R295 PolarHBondContact O-N 2.86Å
292	K	81.1	Confident	70.7	Confident	136 Å²	136	109.4 Å²	109.4	59%	0.591	54%	0.542	S	S	*	.	H	α-helix	trans	-68	-42.7	178.4	-168	178.7	179.5	-177.4	0	111.2	I288 L289 A290 W294 R295 L296	I288-K292 WeakPolarHBondContact O-CB 3.42Å; I288-K292 PolarHBondContact O-N 2.89Å; L289-K292 PolarHBondContact O-N 3.26Å; A290-K292 PolarHBondContact O-N 2.83Å; K292-W294 VanDerWaalsContact C-N 3.35Å; K292-R295 PolarHBondContact O-N 3.37Å; K292-L296 HydrophobicContact CG-CD1 4.44Å; K292-L296 WeakPolarHBondContact O-CB 3.34Å; K292-L296 WeakPolarHBondContact O-CG 3.31Å; K292-L296 PolarHBondContact O-N 2.78Å
293	F	74.8	Confident	69.5	Low	149 Å²	149	105.3 Å²	105.3	65%	0.654	53%	0.529	S	S	*	.	H	α-helix	trans	-63.3	-41.2	174.2	-167.3	-96.6	0	0	0	111.2	L289 A290 R295 L296 H297	L289-F293 VanDerWaalsContact O-CB 3.23Å; L289-F293 WeakPolarHBondContact O-CB 3.46Å; L289-F293 PolarHBondContact O-N 3.31Å; A290-F293 PolarHBondContact O-N 2.8Å; F293-R295 PolarHBondContact O-N 3.45Å; F293-L296 PolarHBondContact O-N 2.86Å; F293-H297 WeakPolarHBondContact O-CB 3.33Å; F293-H297 PolarHBondContact O-N 3.28Å
294	W	63.2	Low	68.1	Low	197 Å²	197	107.9 Å²	107.9	75%	0.746	53%	0.531	S	S	*	.	H	α-helix	trans	-68.4	-34.4	176.6	-151.6	53	0	0	0	112.3	A290 I291 K292 K298	A290-W294 WeakPolarHBondContact O-CB 3.49Å; A290-W294 PolarHBondContact O-N 3.49Å; I291-W294 PolarHBondContact O-N 2.88Å; K292-W294 VanDerWaalsContact C-N 3.35Å; W294-K298 VanDerWaalsContact O-CB 3.24Å; W294-K298 WeakPolarHBondContact O-CB 3.32Å; W294-K298 PolarHBondContact O-N 2.88Å
295	R	69	Low	66.8	Low	187 Å²	187	109 Å²	109	71%	0.706	53%	0.53	S	S	*	.	H	α-helix	trans	-70.4	-36	171.4	-73.2	-172.9	-153.2	-167.5	7.7	112.7	I291 K292 F293 K298 S299	I291-R295 WeakPolarHBondContact O-CB 3.04Å; I291-R295 VanDerWaalsContact O-CG 3.31Å; I291-R295 WeakPolarHBondContact O-CG 3.41Å; I291-R295 PolarHBondContact O-N 2.86Å; K292-R295 PolarHBondContact O-N 3.37Å; F293-R295 PolarHBondContact O-N 3.45Å; R295-K298 PolarHBondContact O-N 3.37Å; R295-S299 PolarHBondContact O-N 3.28Å
296	L	56.8	Low	65.5	Low	112 Å²	112	106.5 Å²	106.5	59%	0.586	52%	0.515	S	S	*	.	H	α-helix	trans	-67	-46.9	173.8	-75.1	167	0	0	0	110.9	K292 F293 K298 S299	K292-L296 HydrophobicContact CG-CD1 4.44Å; K292-L296 WeakPolarHBondContact O-CB 3.34Å; K292-L296 WeakPolarHBondContact O-CG 3.31Å; K292-L296 PolarHBondContact O-N 2.78Å; F293-L296 PolarHBondContact O-N 2.86Å; L296-K298 VanDerWaalsContact C-N 3.28Å; L296-K298 PolarHBondContact O-N 2.99Å; L296-S299 WeakPolarHBondContact O-CA 3.32Å; L296-S299 VanDerWaalsContact O-CB 3.25Å; L296-S299 WeakPolarHBondContact O-CB 3.42Å; L296-S299 PolarHBondContact O-N 3.35Å
297	H	53.1	Low	64.2	Low	114 Å²	114	109.7 Å²	109.7	53%	0.528	53%	0.525	S	S	.	.	H	α-helix	trans	-64.5	-29.6	175	-170.3	-72	0	0	0	112.7	F293 S299 D300	F293-H297 WeakPolarHBondContact O-CB 3.33Å; F293-H297 PolarHBondContact O-N 3.28Å; H297-S299 VanDerWaalsContact C-N 3.25Å; H297-S299 PolarHBondContact O-N 2.95Å; H297-D300 WeakPolarHBondContact O-CB 3.25Å; H297-D300 PolarHBondContact O-N 3.24Å; H297-D300 VanDerWaalsContact O-N 3.14Å
298	K	45.9	Very low	63	Low	170 Å²	170	112 Å²	112	74%	0.739	53%	0.528	S	S	*	.	H	α-helix	trans	-73.3	-17.8	173.9	-167.6	171.1	-177.5	177	0	112.9	W294 R295 L296 D300	W294-K298 VanDerWaalsContact O-CB 3.24Å; W294-K298 WeakPolarHBondContact O-CB 3.32Å; W294-K298 PolarHBondContact O-N 2.88Å; R295-K298 PolarHBondContact O-N 3.37Å; L296-K298 VanDerWaalsContact C-N 3.28Å; L296-K298 PolarHBondContact O-N 2.99Å; K298-D300 VanDerWaalsContact C-N 3.27Å
299	S	49.1	Very low	61.4	Low	100 Å²	100	110.3 Å²	110.3	70%	0.699	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-11.8	168.9	-163.1	0	0	0	0	112.6	R295 L296 H297 R301	R295-S299 PolarHBondContact O-N 3.28Å; L296-S299 WeakPolarHBondContact O-CA 3.32Å; L296-S299 VanDerWaalsContact O-CB 3.25Å; L296-S299 WeakPolarHBondContact O-CB 3.42Å; L296-S299 PolarHBondContact O-N 3.35Å; H297-S299 VanDerWaalsContact C-N 3.25Å; H297-S299 PolarHBondContact O-N 2.95Å; S299-R301 PolarHBondContact O-N 3.44Å; S299-R301 VanDerWaalsContact O-N 3.12Å
300	D	51.8	Low	60	Low	66 Å²	66	112.7 Å²	112.7	35%	0.353	52%	0.52	S	S	.	.			trans	-87	69.6	-176.2	-128.1	-6.6	0	0	0	110.8	H297 K298 P303	H297-D300 WeakPolarHBondContact O-CB 3.25Å; H297-D300 PolarHBondContact O-N 3.24Å; H297-D300 VanDerWaalsContact O-N 3.14Å; K298-D300 VanDerWaalsContact C-N 3.27Å; D300-P303 HydrophobicContact CB-CG 4.26Å; D300-P303 WeakPolarHBondContact O-CD 3.31Å; D300-P303 WeakPolarHBondContact OD1-CD 3.21Å
301	R	46.2	Very low	58.7	Low	185 Å²	185	113.3 Å²	113.3	70%	0.698	53%	0.526	S	S	*	.			trans	-70.9	-21	168.5	-72.2	-177.2	-179.9	174.4	-1.2	111.9	S299 R304 D305	S299-R301 PolarHBondContact O-N 3.44Å; S299-R301 VanDerWaalsContact O-N 3.12Å; R301-R304 WeakPolarHBondContact O-CB 3.32Å; R301-R304 PolarHBondContact O-N 3.23Å; R301-D305 PolarHBondContact O-N 2.87Å
302	V	53.1	Low	57.4	Low	34 Å²	34	115.7 Å²	115.7	21%	0.206	53%	0.533	C	S	.	.	H	α-helix	trans	-68	-40.3	-170.4	-174.7	0	0	0	0	114.9	R304 D305 V306	V302-R304 PolarHBondContact O-N 2.88Å; V302-D305 PolarHBondContact O-N 3.3Å; V302-D305 VanDerWaalsContact O-N 3.12Å; V302-V306 WeakPolarHBondContact O-CG2 3.46Å; V302-V306 PolarHBondContact O-N 2.93Å
303	P	53.6	Low	55.6	Low	51 Å²	51	116.1 Å²	116.1	33%	0.331	54%	0.535	S	S	.	.	H	α-helix	trans	-60.8	-33.9	176.2	-23.5	34	0	0	0	112.5	D300 V306 E307	D300-P303 HydrophobicContact CB-CG 4.26Å; D300-P303 WeakPolarHBondContact O-CD 3.31Å; D300-P303 WeakPolarHBondContact OD1-CD 3.21Å; P303-V306 PolarHBondContact O-N 3.4Å; P303-E307 PolarHBondContact O-N 2.65Å
304	R	55	Low	54.3	Low	169 Å²	169	113.8 Å²	113.8	64%	0.638	54%	0.537	S	S	*	.	H	α-helix	trans	-70.2	-36.8	177.8	-147	-169.3	-48.6	-168.7	3.5	111.7	R301 V302 E308	R301-R304 WeakPolarHBondContact O-CB 3.32Å; R301-R304 PolarHBondContact O-N 3.23Å; V302-R304 PolarHBondContact O-N 2.88Å; R304-E308 VanDerWaalsContact O-CB 3.23Å; R304-E308 WeakPolarHBondContact O-CB 3.4Å; R304-E308 PolarHBondContact O-N 3.41Å
305	D	56.3	Low	53.2	Low	76 Å²	76	107.5 Å²	107.5	41%	0.406	53%	0.534	S	S	.	.	H	α-helix	trans	-71.1	-35.4	177.1	-62.4	-25.7	0	0	0	111.5	R301 V302 E308 M309	R301-D305 PolarHBondContact O-N 2.87Å; V302-D305 PolarHBondContact O-N 3.3Å; V302-D305 VanDerWaalsContact O-N 3.12Å; D305-E308 PolarHBondContact O-N 2.87Å; D305-M309 WeakPolarHBondContact O-CB 2.94Å; D305-M309 WeakPolarHBondContact O-CG 3.25Å; D305-M309 PolarHBondContact O-N 3.34Å
306	V	58.2	Low	51.6	Low	20 Å²	20	103.4 Å²	103.4	12%	0.121	53%	0.532	C	S	.	.	H	α-helix	trans	-68.6	-43.2	172.7	175.9	0	0	0	0	111.2	A47 V302 P303 E308 M309 R310	A47-V306 HydrophobicContact CB-CG2 3.69Å; V302-V306 WeakPolarHBondContact O-CG2 3.46Å; V302-V306 PolarHBondContact O-N 2.93Å; P303-V306 PolarHBondContact O-N 3.4Å; V306-E308 VanDerWaalsContact C-N 3.32Å; V306-M309 PolarHBondContact O-N 2.87Å; V306-R310 WeakPolarHBondContact O-CB 3.05Å; V306-R310 PolarHBondContact O-N 2.02Å
307	E	62.6	Low	50.3	Low	133 Å²	133	103.4 Å²	103.4	62%	0.621	54%	0.542	S	S	*	.	H	α-helix	trans	-63.5	-37.5	172.4	-79.7	178.2	153.6	0	0	112.1	P303 R310 A311	P303-E307 PolarHBondContact O-N 2.65Å; E307-R310 PolarHBondContact O-N 2.79Å; E307-A311 VanDerWaalsContact O-CB 3.31Å; E307-A311 WeakPolarHBondContact O-CB 3.17Å; E307-A311 PolarHBondContact O-N 2.83Å
308	E	60.3	Low	49.5	Very low	94 Å²	94	109.4 Å²	109.4	44%	0.439	56%	0.56	S	S	.	*	H	α-helix	trans	-67	-40.3	173.9	-171.3	180	152.8	0	0	111.7	R304 D305 V306 A311 K312	R304-E308 VanDerWaalsContact O-CB 3.23Å; R304-E308 WeakPolarHBondContact O-CB 3.4Å; R304-E308 PolarHBondContact O-N 3.41Å; D305-E308 PolarHBondContact O-N 2.87Å; V306-E308 VanDerWaalsContact C-N 3.32Å; E308-A311 PolarHBondContact O-N 3.37Å; E308-K312 HydrophobicContact CG-CD 4.46Å; E308-K312 WeakPolarHBondContact O-CB 3.43Å; E308-K312 WeakPolarHBondContact O-CG 3.37Å; E308-K312 PolarHBondContact O-N 3.23Å; E308-K312 VanDerWaalsContact OE1-CE 3.27Å; E308-K312 WeakPolarHBondContact OE1-CE 3.29Å; E308-K312 IonicContact OE1-NZ 2.7Å; E308-K312 PolarHBondContact OE1-NZ 2.79Å
309	M	53.4	Low	48.8	Very low	79 Å²	79	110.1 Å²	110.1	39%	0.389	57%	0.566	S	S	.	*	H	α-helix	trans	-64.3	-42.4	172.6	-77.2	-161.6	-104.8	0	0	111.7	D305 V306 A311 K312 F313	D305-M309 WeakPolarHBondContact O-CB 2.94Å; D305-M309 WeakPolarHBondContact O-CG 3.25Å; D305-M309 PolarHBondContact O-N 3.34Å; V306-M309 PolarHBondContact O-N 2.87Å; M309-A311 VanDerWaalsContact C-N 3.35Å; M309-A311 PolarHBondContact O-N 2.79Å; M309-K312 PolarHBondContact O-N 3.35Å; M309-F313 PolarHBondContact O-N 3.35Å
310	R	54	Low	47.8	Very low	154 Å²	154	110.5 Å²	110.5	58%	0.581	58%	0.575	S	S	*	*	H	α-helix	trans	-61.3	-41.2	173	179.5	-176.1	-79	-164.2	-4.2	111.9	V306 E307 K312 S314	V306-R310 WeakPolarHBondContact O-CB 3.05Å; V306-R310 PolarHBondContact O-N 2.02Å; E307-R310 PolarHBondContact O-N 2.79Å; R310-K312 VanDerWaalsContact C-N 3.34Å; R310-S314 WeakPolarHBondContact O-CB 3.4Å; R310-S314 PolarHBondContact O-N 2.94Å; R310-S314 PolarHBondContact O-OG 3.23Å
311	A	57.4	Low	46.6	Very low	69 Å²	69	110.9 Å²	110.9	57%	0.57	59%	0.594	S	S	*	*	H	α-helix	trans	-67.6	-33	176.2	0	0	0	0	0	112.4	E307 E308 M309 S314	E307-A311 VanDerWaalsContact O-CB 3.31Å; E307-A311 WeakPolarHBondContact O-CB 3.17Å; E307-A311 PolarHBondContact O-N 2.83Å; E308-A311 PolarHBondContact O-N 3.37Å; M309-A311 VanDerWaalsContact C-N 3.35Å; M309-A311 PolarHBondContact O-N 2.79Å; A311-S314 PolarHBondContact O-OG 3.22Å
312	K	50.3	Low	45.9	Very low	135 Å²	135	108.1 Å²	108.1	59%	0.587	59%	0.594	S	S	*	*	H	α-helix	trans	-73.7	-38	175.1	-76.2	173.5	-175.1	166.2	0	113	E308 M309 R310	E308-K312 HydrophobicContact CG-CD 4.46Å; E308-K312 WeakPolarHBondContact O-CB 3.43Å; E308-K312 WeakPolarHBondContact O-CG 3.37Å; E308-K312 PolarHBondContact O-N 3.23Å; E308-K312 VanDerWaalsContact OE1-CE 3.27Å; E308-K312 WeakPolarHBondContact OE1-CE 3.29Å; E308-K312 IonicContact OE1-NZ 2.7Å; E308-K312 PolarHBondContact OE1-NZ 2.79Å; M309-K312 PolarHBondContact O-N 3.35Å; R310-K312 VanDerWaalsContact C-N 3.34Å
313	F	43.3	Very low	44.8	Very low	145 Å²	145	116.9 Å²	116.9	64%	0.636	63%	0.629	S	S	*	*	H	α-helix	trans	-82.8	-27	-177.6	-92	-85.5	0	0	0	114.6	M309 G315 C316	M309-F313 PolarHBondContact O-N 3.35Å; F313-G315 PolarHBondContact O-N 2.85Å; F313-C316 PolarHBondContact O-N 3.43Å
314	S	46.8	Very low	44	Very low	99 Å²	99	121.2 Å²	121.2	69%	0.692	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	-10	173.3	50	0	0	0	0	114.1	R310 A311	R310-S314 WeakPolarHBondContact O-CB 3.4Å; R310-S314 PolarHBondContact O-N 2.94Å; R310-S314 PolarHBondContact O-OG 3.23Å; A311-S314 PolarHBondContact O-OG 3.22Å
315	G	40.8	Very low	42.8	Very low	66 Å²	66	120 Å²	120	68%	0.68	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	-11.8	171.9	0	0	0	0	0	115.9	F313	F313-G315 PolarHBondContact O-N 2.85Å
316	C	36.3	Very low	41.7	Very low	100 Å²	100	120 Å²	120	68%	0.676	66%	0.662	S	S	*	*	S	Bend	trans	-135.8	86.3	-178.3	-88.7	0	0	0	0	111.1	F313	F313-C316 PolarHBondContact O-N 3.43Å
317	S	29.6	Very low	40.6	Very low	113 Å²	113	122.8 Å²	122.8	79%	0.79	69%	0.687	S	S	*	*			trans	-172.5	85.3	145.5	-125.4	0	0	0	0	111.4
318	R	36	Very low	39.6	Very low	240 Å²	240	118.8 Å²	118.8	91%	0.906	67%	0.672	S	S	*	*	S	Bend	trans	-114.4	120.9	142	-92.4	174.3	76.4	131.1	-2.7	105.1
319	E	31.3	Very low	38.6	Very low	185 Å²	185	117.6 Å²	117.6	86%	0.864	67%	0.668	S	S	*	*			trans	110.7	137	169.2	-65.9	-177.7	155.6	0	0	117.6
320	A	27.1	Very low	37.8	Very low	107 Å²	107	119.5 Å²	119.5	88%	0.884	67%	0.674	S	S	*	*			trans	77.1	120.4	-176.5	0	0	0	0	0	115.1
321	G	27.8	Very low	37	Very low	74 Å²	74	118.2 Å²	118.2	76%	0.763	68%	0.678	S	S	*	*			cis	129.3	98.2	16.4	0	0	0	0	0	108.9
322	D	31.3	Very low	35.6	Very low	128 Å²	128	121.7 Å²	121.7	68%	0.684	69%	0.687	S	S	*	*			trans	43.1	108.9	152.4	-150	16	0	0	0	120.1
323	F	29.3	Very low	34.6	Very low	218 Å²	218	124.5 Å²	124.5	96%	0.956	70%	0.699	S	S	*	*			trans	-136.3	99.9	148.3	-107.7	-84.5	0	0	0	108.7
324	Q	36	Very low	34.1	Very low	142 Å²	142	124.2 Å²	124.2	66%	0.664	70%	0.704	S	S	*	*			trans	-80.7	146.4	174.8	-91.5	-170	-10	0	0	112.9
325	N	30.3	Very low	33.3	Very low	142 Å²	142	124.8 Å²	124.8	76%	0.759	71%	0.709	S	S	*	*			trans	64.8	95.5	145.9	-56	-15.3	0	0	0	119
326	A	34	Very low	32.8	Very low	78 Å²	78	130.1 Å²	130.1	65%	0.645	72%	0.716	S	S	*	*			trans	-122.3	119.1	144.1	0	0	0	0	0	107.8	V328	A326-V328 PolarHBondContact O-N 2.81Å
327	A	34	Very low	32.6	Very low	77 Å²	77	133 Å²	133	64%	0.636	73%	0.725	S	S	*	*			trans	-71.1	97.4	174.2	0	0	0	0	0	108.6	L329	A327-L329 PolarHBondContact O-N 2.99Å
328	V	41.8	Very low	32.7	Very low	50 Å²	50	134.1 Å²	134.1	30%	0.303	73%	0.726	S	S	.	*			trans	-79.2	114.9	171	-177.2	0	0	0	0	107.4	A326 F330	A326-V328 PolarHBondContact O-N 2.81Å; V328-F330 HydrophobicContact CB-CD2 4.13Å; V328-F330 HydrophobicContact CB-CE2 3.57Å; V328-F330 HydrophobicContact CB-CZ 3.81Å; V328-F330 HydrophobicContact CG1-CD1 4.08Å; V328-F330 HydrophobicContact CG1-CD2 3.99Å; V328-F330 HydrophobicContact CG1-CE1 3.68Å; V328-F330 HydrophobicContact CG1-CE2 3.59Å; V328-F330 HydrophobicContact CG1-CG 4.23Å; V328-F330 HydrophobicContact CG1-CZ 3.42Å; V328-F330 VanDerWaalsContact CG1-CZ 3.42Å; V328-F330 WeakPolarHBondContact O-CD2 3.48Å; V328-F330 PolarHBondContact O-N 3.43Å; V328-F330 VanDerWaalsContact O-N 3.07Å
329	L	39.8	Very low	32.2	Very low	68 Å²	68	131.3 Å²	131.3	36%	0.356	72%	0.723	S	S	.	*			trans	-77.1	89.1	173.3	-98.8	148.6	0	0	0	108.8	A327 L331	A327-L329 PolarHBondContact O-N 2.99Å; L329-L331 PolarHBondContact O-N 3.3Å
330	F	36.8	Very low	32.1	Very low	119 Å²	119	130 Å²	130	52%	0.522	72%	0.719	S	S	.	*			trans	-74.4	113.4	168	-62.3	-77.3	0	0	0	108.9	E25 V328 N332	E25-F330 WeakPolarHBondContact OE1-CD1 3.23Å; E25-F330 WeakPolarHBondContact OE1-CE1 3.39Å; E25-F330 VanDerWaalsContact OE2-CD1 3.28Å; E25-F330 WeakPolarHBondContact OE2-CD1 3.39Å; V328-F330 HydrophobicContact CB-CD2 4.13Å; V328-F330 HydrophobicContact CB-CE2 3.57Å; V328-F330 HydrophobicContact CB-CZ 3.81Å; V328-F330 HydrophobicContact CG1-CD1 4.08Å; V328-F330 HydrophobicContact CG1-CD2 3.99Å; V328-F330 HydrophobicContact CG1-CE1 3.68Å; V328-F330 HydrophobicContact CG1-CE2 3.59Å; V328-F330 HydrophobicContact CG1-CG 4.23Å; V328-F330 HydrophobicContact CG1-CZ 3.42Å; V328-F330 VanDerWaalsContact CG1-CZ 3.42Å; V328-F330 WeakPolarHBondContact O-CD2 3.48Å; V328-F330 PolarHBondContact O-N 3.43Å; V328-F330 VanDerWaalsContact O-N 3.07Å; F330-N332 PolarHBondContact O-N 3.32Å; F330-N332 VanDerWaalsContact O-N 3.08Å
331	L	36.8	Very low	32.6	Very low	127 Å²	127	138.9 Å²	138.9	67%	0.665	73%	0.732	S	S	*	*			trans	-76.8	95	170.9	-70.7	173.9	0	0	0	108.6	A29 L329 K333	A29-L331 HydrophobicContact CB-CD1 4.47Å; L329-L331 PolarHBondContact O-N 3.3Å; L331-K333 PolarHBondContact O-N 3.42Å
332	N	27.8	Very low	32.9	Very low	142 Å²	142	142.1 Å²	142.1	76%	0.759	73%	0.73	S	S	*	*			trans	-66.5	116.6	169.1	-161.1	22.7	0	0	0	108.8	F330 D334	F330-N332 PolarHBondContact O-N 3.32Å; F330-N332 VanDerWaalsContact O-N 3.08Å; N332-D334 PolarHBondContact O-N 3.39Å
333	K	29.2	Very low	33	Very low	194 Å²	194	142.8 Å²	142.8	84%	0.843	73%	0.732	S	S	*	*			trans	-89.1	103.2	178.2	-178.9	171.9	179.4	133.5	0	108.7	L331	L331-K333 PolarHBondContact O-N 3.42Å
334	D	33.5	Very low	33.2	Very low	139 Å²	139	138.7 Å²	138.7	74%	0.743	72%	0.72	S	S	*	*			trans	-110.3	137.1	171.1	-115.7	-28.3	0	0	0	112.8	N332	N332-D334 PolarHBondContact O-N 3.39Å
335	S	29.9	Very low	33	Very low	112 Å²	112	138.5 Å²	138.5	78%	0.783	72%	0.723	S	S	*	*			trans	66.3	100.5	163	-150.7	0	0	0	0	119.1
336	Q	31.3	Very low	33.2	Very low	178 Å²	178	138.3 Å²	138.3	83%	0.832	72%	0.721	S	S	*	*			trans	-64.9	145.3	154.6	-90.3	176.4	-33.7	0	0	111.2
337	D	30.5	Very low	33.1	Very low	160 Å²	160	142.3 Å²	142.3	86%	0.856	73%	0.726	S	S	*	*			trans	-40.4	133.3	179.9	-73.3	-59.7	0	0	0	116.6
338	V	31.5	Very low	33.1	Very low	137 Å²	137	146.9 Å²	146.9	83%	0.83	73%	0.732	S	S	*	*			trans	-84.8	128.5	152.9	173	0	0	0	0	107.9
339	H	27.1	Very low	32.4	Very low	181 Å²	181	154.4 Å²	154.4	84%	0.838	77%	0.765	S	S	*	*			trans	-35	137	178	-82.3	-87.6	0	0	0	116.7
340	M	28.9	Very low	31.8	Very low	158 Å²	158	161.6 Å²	161.6	78%	0.778	80%	0.8	S	S	*	*			trans	-90.8	138.7	155.3	-75.6	-148.3	-64.1	0	0	111.3
341	Y	38.1	Very low	31.3	Very low	292 Å²	292	165.5 Å²	165.5	100%	1.145	83%	0.825	S	S	*	*			trans	83	0	174	-63.7	-74.7	0	0	0	118.6

Retrieved 341 of 341 residues in 175.6 ms (Link to these results)

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