A0AA82N8B7_SCHMA Loading...

Egg protein CP391S-like protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N8B7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 259 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.3	Very low	51.1	Low	218 Å²	218	165.1 Å²	165.1	100%	1.074	80%	0.8	S	S	*	*				0	109.8	0	-121.7	172.5	-174.1	0	0	107.5	Y3	M1-Y3 HydrophobicContact SD-CE2 4.24Å
2	R	42.6	Very low	51.2	Low	246 Å²	246	162.3 Å²	162.3	93%	0.928	79%	0.79	S	S	*	*			trans	-92.5	112.4	173.6	-73.2	-177.4	176.6	177	-0.4	107
3	Y	48.9	Very low	52	Low	182 Å²	182	158 Å²	158	71%	0.714	78%	0.779	S	S	*	*			trans	-93.1	119.5	173.6	-102.6	-89.7	0	0	0	108.9	M1	M1-Y3 HydrophobicContact SD-CE2 4.24Å
4	N	44.9	Very low	52.6	Low	153 Å²	153	159.7 Å²	159.7	82%	0.818	78%	0.775	S	S	*	*			trans	-88.3	113.3	169.8	-70.4	-35.7	0	0	0	107.5
5	F	49.3	Very low	53.2	Low	193 Å²	193	155.3 Å²	155.3	85%	0.846	76%	0.761	S	S	*	*			trans	-78.6	125.5	165.8	-87.6	-88.4	0	0	0	109
6	S	58.1	Low	53.7	Low	91 Å²	91	154.2 Å²	154.2	64%	0.636	76%	0.757	S	S	*	*			trans	-67.5	131.1	175.8	-177.6	0	0	0	0	110.4	S8	S6-S8 PolarHBondContact O-N 3.35Å; S6-S8 VanDerWaalsContact O-N 3.14Å
7	P	56.4	Low	53.8	Low	122 Å²	122	155.7 Å²	155.7	79%	0.792	76%	0.759	S	S	*	*	S	Bend	trans	-78.7	11.5	-172.3	-10.8	27.4	0	0	0	115.8	L9	P7-L9 PolarHBondContact O-N 3.14Å
8	S	56.7	Low	53.5	Low	89 Å²	89	153.6 Å²	153.6	62%	0.622	76%	0.756	S	S	*	*			trans	-100.7	58.9	-169.5	69.1	0	0	0	0	113.3	S6	S6-S8 PolarHBondContact O-N 3.35Å; S6-S8 VanDerWaalsContact O-N 3.14Å
9	L	50.9	Low	53.2	Low	152 Å²	152	155.3 Å²	155.3	80%	0.796	75%	0.754	S	S	*	*			trans	-142.9	84.3	162.2	-99.7	146.8	0	0	0	106.9	P7 I11	P7-L9 PolarHBondContact O-N 3.14Å; L9-I11 PolarHBondContact O-N 3.11Å
10	W	54.5	Low	52.8	Low	245 Å²	245	152.6 Å²	152.6	93%	0.928	75%	0.749	S	S	*	*			trans	-67.9	82.6	168	-70.1	74.9	0	0	0	107.5	L12	W10-L12 PolarHBondContact O-N 2.84Å; W10-L12 VanDerWaalsContact O-N 3.11Å
11	I	56.6	Low	52.6	Low	125 Å²	125	154.5 Å²	154.5	64%	0.641	75%	0.749	S	S	*	*			trans	-72.3	105.7	169	-58.6	175.1	0	0	0	105.4	L9 V13	L9-I11 PolarHBondContact O-N 3.11Å; I11-V13 HydrophobicContact CB-CG2 4.35Å; I11-V13 HydrophobicContact CG2-CG2 3.73Å; I11-V13 PolarHBondContact O-N 2.88Å
12	L	52.7	Low	52.9	Low	131 Å²	131	150.4 Å²	150.4	69%	0.686	73%	0.725	S	S	*	*			trans	-65.4	88.9	167.4	-114.2	149.9	0	0	0	107.6	W10 Y14	W10-L12 PolarHBondContact O-N 2.84Å; W10-L12 VanDerWaalsContact O-N 3.11Å; L12-Y14 HydrophobicContact CB-CE2 4.28Å; L12-Y14 HydrophobicContact CD2-CE1 4.33Å; L12-Y14 HydrophobicContact CD2-CE2 3.93Å; L12-Y14 PolarHBondContact O-N 3.15Å
13	V	61.2	Low	53.3	Low	107 Å²	107	146.4 Å²	146.4	65%	0.648	71%	0.71	S	S	*	*			trans	-79.9	97.5	174.1	-177.2	0	0	0	0	107.4	I11 V15	I11-V13 HydrophobicContact CB-CG2 4.35Å; I11-V13 HydrophobicContact CG2-CG2 3.73Å; I11-V13 PolarHBondContact O-N 2.88Å; V13-V15 HydrophobicContact CG1-CG2 3.93Å; V13-V15 PolarHBondContact O-N 3.21Å; V13-V15 VanDerWaalsContact O-N 3.15Å
14	Y	59.7	Low	53.5	Low	182 Å²	182	140.6 Å²	140.6	71%	0.714	69%	0.687	S	S	*	*			trans	-71.6	102.6	165.3	-69.7	-84	0	0	0	108.5	L12 I16	L12-Y14 HydrophobicContact CB-CE2 4.28Å; L12-Y14 HydrophobicContact CD2-CE1 4.33Å; L12-Y14 HydrophobicContact CD2-CE2 3.93Å; L12-Y14 PolarHBondContact O-N 3.15Å; Y14-I16 PolarHBondContact O-N 3.21Å
15	V	63	Low	54.1	Low	94 Å²	94	137.1 Å²	137.1	57%	0.57	67%	0.669	S	S	*	*			trans	-81.9	92.8	166.8	-175.1	0	0	0	0	107.3	V13 F17	V13-V15 HydrophobicContact CG1-CG2 3.93Å; V13-V15 PolarHBondContact O-N 3.21Å; V13-V15 VanDerWaalsContact O-N 3.15Å; V15-F17 HydrophobicContact CB-CE2 4.24Å; V15-F17 HydrophobicContact CG1-CD2 3.84Å; V15-F17 HydrophobicContact CG1-CE1 4.21Å; V15-F17 HydrophobicContact CG1-CE2 3.47Å; V15-F17 VanDerWaalsContact CG1-CE2 3.47Å; V15-F17 HydrophobicContact CG1-CG 4.37Å; V15-F17 HydrophobicContact CG1-CZ 3.67Å; V15-F17 PolarHBondContact O-N 3.17Å; V15-F17 VanDerWaalsContact O-N 3.17Å
16	I	59.9	Low	54.8	Low	137 Å²	137	128.8 Å²	128.8	70%	0.703	64%	0.635	S	S	*	*			trans	-76.8	99.7	168.3	-57.1	176.4	0	0	0	106.4	Y14 V18	Y14-I16 PolarHBondContact O-N 3.21Å; I16-V18 HydrophobicContact CG2-CG2 3.75Å; I16-V18 PolarHBondContact O-N 2.87Å
17	F	55.7	Low	54.9	Low	180 Å²	180	128.8 Å²	128.8	79%	0.789	63%	0.627	S	S	*	*			trans	-69	90.4	161.6	-69.4	-81.8	0	0	0	107.2	V15 W19	V15-F17 HydrophobicContact CB-CE2 4.24Å; V15-F17 HydrophobicContact CG1-CD2 3.84Å; V15-F17 HydrophobicContact CG1-CE1 4.21Å; V15-F17 HydrophobicContact CG1-CE2 3.47Å; V15-F17 VanDerWaalsContact CG1-CE2 3.47Å; V15-F17 HydrophobicContact CG1-CG 4.37Å; V15-F17 HydrophobicContact CG1-CZ 3.67Å; V15-F17 PolarHBondContact O-N 3.17Å; V15-F17 VanDerWaalsContact O-N 3.17Å; F17-W19 PolarHBondContact O-N 2.9Å
18	V	47.8	Very low	55.2	Low	117 Å²	117	127.8 Å²	127.8	71%	0.709	62%	0.615	S	S	*	*			trans	-69.5	83.4	156.4	-174.9	0	0	0	0	104.4	I16 P20	I16-V18 HydrophobicContact CG2-CG2 3.75Å; I16-V18 PolarHBondContact O-N 2.87Å; V18-P20 WeakPolarHBondContact O-CD 3.14Å
19	W	48.6	Very low	55.4	Low	186 Å²	186	124.1 Å²	124.1	71%	0.705	59%	0.589	S	S	*	*			trans	-55.2	114.9	161.2	-145.4	-40.7	0	0	0	103.3	F17 Y21	F17-W19 PolarHBondContact O-N 2.9Å; W19-Y21 PolarHBondContact O-N 2.68Å
20	P	46.3	Very low	56	Low	101 Å²	101	121.9 Å²	121.9	66%	0.656	59%	0.585	S	S	*	*			trans	-61	100.6	174.3	24.5	-30.4	0	0	0	104	V18 K22	V18-P20 WeakPolarHBondContact O-CD 3.14Å; P20-K22 VanDerWaalsContact C-N 3.34Å; P20-K22 PolarHBondContact O-N 2.63Å
21	Y	47.8	Very low	56.3	Low	194 Å²	194	117.2 Å²	117.2	76%	0.761	57%	0.571	S	S	*	*			trans	-42.8	114.5	161.1	-104.8	-85.1	0	0	0	103	W19 R23	W19-Y21 PolarHBondContact O-N 2.68Å; Y21-R23 PolarHBondContact O-N 2.79Å
22	K	49.9	Very low	56.6	Low	131 Å²	131	116.6 Å²	116.6	57%	0.57	57%	0.569	S	S	*	*			trans	-62	91.2	177.9	-174	178.5	179.8	-178.6	0	104.2	P20 Y24	P20-K22 VanDerWaalsContact C-N 3.34Å; P20-K22 PolarHBondContact O-N 2.63Å; K22-Y24 VanDerWaalsContact C-N 3.33Å; K22-Y24 PolarHBondContact O-N 2.87Å
23	R	50.4	Low	57.7	Low	163 Å²	163	114.1 Å²	114.1	62%	0.615	56%	0.561	S	S	*	*			trans	-57.8	109.4	169.1	-74.7	-172.1	179.5	-166.8	-2.1	103	Y21 N25 D171	Y21-R23 PolarHBondContact O-N 2.79Å; R23-N25 PolarHBondContact O-N 2.8Å; R23-D171 WeakPolarHBondContact CD-OD1 3.35Å
24	Y	54	Low	59	Low	59 Å²	59	112.4 Å²	112.4	23%	0.231	55%	0.545	C	S	.	.			trans	-60.7	128.8	-177.1	-66.8	-89.9	0	0	0	107.9	K22 C26 Y49 E199	K22-Y24 VanDerWaalsContact C-N 3.33Å; K22-Y24 PolarHBondContact O-N 2.87Å; Y24-C26 PolarHBondContact O-N 3.23Å; Y24-C26 VanDerWaalsContact O-N 3.1Å; Y24-Y49 WeakPolarHBondContact CB-OH 3.22Å; Y24-Y49 AromaticContact CD1-CE2 3.78Å; Y24-Y49 HydrophobicContact CD1-CE2 3.78Å; Y24-Y49 AromaticContact CD1-CZ 3.91Å; Y24-Y49 VanDerWaalsContact CD1-OH 3.28Å; Y24-Y49 WeakPolarHBondContact CD1-OH 3.04Å; Y24-Y49 WeakPolarHBondContact CD2-OH 3.24Å; Y24-Y49 HydrophobicContact CE1-CE2 4.3Å; Y24-Y49 HydrophobicContact CG-CE2 4.11Å; Y24-Y49 AromaticContact CG-CZ 3.81Å; Y24-E199 WeakPolarHBondContact OH-CG 3.32Å
25	N	56	Low	60.5	Low	81 Å²	81	105.7 Å²	105.7	43%	0.433	52%	0.522	S	S	.	.			trans	-71.7	108.3	173.2	-166.5	-20.2	0	0	0	106.9	R23 N27 D28	R23-N25 PolarHBondContact O-N 2.8Å; N25-N27 PolarHBondContact O-N 1.99Å; N25-N27 WeakPolarHBondContact OD1-CB 3.45Å; N25-N27 VanDerWaalsContact OD1-CG 3.24Å; N25-N27 PolarHBondContact OD1-N 2.97Å; N25-N27 PolarHBondContact OD1-ND2 3.22Å; N25-D28 WeakPolarHBondContact O-CB 3.33Å; N25-D28 PolarHBondContact O-N 3.1Å
26	C	64.3	Low	61.9	Low	18 Å²	18	103.1 Å²	103.1	12%	0.122	51%	0.506	C	S	.	.	H	α-helix	trans	-62.1	-13.2	-179.7	-72.7	0	0	0	0	113.6	Y24 D28 I29 C30 C170	Y24-C26 PolarHBondContact O-N 3.23Å; Y24-C26 VanDerWaalsContact O-N 3.1Å; C26-D28 PolarHBondContact O-N 2.81Å; C26-I29 HydrophobicContact CB-CD1 4.24Å; C26-I29 WeakPolarHBondContact O-CB 3.41Å; C26-I29 PolarHBondContact O-N 2.91Å; C26-I29 VanDerWaalsContact O-N 3.15Å; C26-C30 PolarHBondContact O-N 3.01Å; C26-C30 PolarHBondContact O-SG 2.78Å; C26-C30 VanDerWaalsContact O-SG 3.36Å; C26-C170 HydrophobicContact CB-CB 3.68Å; C26-C170 WeakPolarHBondContact CB-SG 3.24Å; C26-C170 WeakPolarHBondContact SG-CA 3.04Å; C26-C170 WeakPolarHBondContact SG-CB 3.24Å; C26-C170 CovalentContact SG-SG 1.99Å; C26-C170 PolarHBondContact SG-SG 2.84Å
27	N	60.6	Low	63.5	Low	90 Å²	90	96.8 Å²	96.8	48%	0.481	47%	0.474	S	S	.	.	H	α-helix	trans	-56.3	-34.3	166.2	-67.8	-32.7	0	0	0	112.6	N25 K31	N25-N27 PolarHBondContact O-N 1.99Å; N25-N27 WeakPolarHBondContact OD1-CB 3.45Å; N25-N27 VanDerWaalsContact OD1-CG 3.24Å; N25-N27 PolarHBondContact OD1-N 2.97Å; N25-N27 PolarHBondContact OD1-ND2 3.22Å; N27-K31 WeakPolarHBondContact O-CB 3.4Å; N27-K31 WeakPolarHBondContact O-CD 2.85Å; N27-K31 WeakPolarHBondContact O-CG 2.99Å; N27-K31 PolarHBondContact O-N 3.48Å; N27-K31 VanDerWaalsContact O-N 3.08Å
28	D	63.6	Low	65.2	Low	101 Å²	101	89.9 Å²	89.9	54%	0.54	45%	0.445	S	S	.	.	H	α-helix	trans	-71.8	-35.6	178.3	-66	-21	0	0	0	111.4	N25 C26 K31 N32	N25-D28 WeakPolarHBondContact O-CB 3.33Å; N25-D28 PolarHBondContact O-N 3.1Å; C26-D28 PolarHBondContact O-N 2.81Å; D28-K31 PolarHBondContact O-N 3.29Å; D28-N32 PolarHBondContact O-N 2.77Å
29	I	60	Low	67.4	Low	13 Å²	13	88 Å²	88	7%	0.067	43%	0.428	C	S	.	.	H	α-helix	trans	-64	-46	175	-52.6	178.6	0	0	0	110.3	C26 K31 Y49 I168	C26-I29 HydrophobicContact CB-CD1 4.24Å; C26-I29 WeakPolarHBondContact O-CB 3.41Å; C26-I29 PolarHBondContact O-N 2.91Å; C26-I29 VanDerWaalsContact O-N 3.15Å; I29-K31 VanDerWaalsContact C-N 3.31Å; I29-K31 PolarHBondContact O-N 3.08Å; I29-Y49 HydrophobicContact CD1-CD1 3.87Å; I29-Y49 HydrophobicContact CD1-CD2 3.97Å; I29-Y49 HydrophobicContact CD1-CE1 3.49Å; I29-Y49 VanDerWaalsContact CD1-CE1 3.49Å; I29-Y49 HydrophobicContact CD1-CE2 3.61Å; I29-Y49 HydrophobicContact CD1-CG 4.08Å; I29-Y49 HydrophobicContact CG1-CD1 4.2Å; I29-Y49 HydrophobicContact CG1-CD2 3.51Å; I29-Y49 HydrophobicContact CG1-CE1 4.15Å; I29-Y49 HydrophobicContact CG1-CE2 3.47Å; I29-Y49 VanDerWaalsContact CG1-CE2 3.47Å; I29-Y49 HydrophobicContact CG1-CG 3.88Å; I29-Y49 HydrophobicContact CG2-CG 4.41Å; I29-I168 HydrophobicContact CD1-CD1 3.44Å; I29-I168 VanDerWaalsContact CD1-CD1 3.44Å; I29-I168 HydrophobicContact CG2-CD1 4.04Å
30	C	62.9	Low	69.6	Low	105 Å²	105	82.5 Å²	82.5	71%	0.709	41%	0.412	S	S	*	.	H	α-helix	trans	-70.6	-26	-179.4	-64.9	0	0	0	0	113.1	C26	C26-C30 PolarHBondContact O-N 3.01Å; C26-C30 PolarHBondContact O-SG 2.78Å; C26-C30 VanDerWaalsContact O-SG 3.36Å
31	K	61	Low	71.8	Confident	146 Å²	146	84.9 Å²	84.9	64%	0.635	42%	0.42	S	S	*	.	H	α-helix	trans	-81.2	-41.2	-176.5	-78.6	171.5	-175.5	-179.9	0	113.4	N27 D28 I29	N27-K31 WeakPolarHBondContact O-CB 3.4Å; N27-K31 WeakPolarHBondContact O-CD 2.85Å; N27-K31 WeakPolarHBondContact O-CG 2.99Å; N27-K31 PolarHBondContact O-N 3.48Å; N27-K31 VanDerWaalsContact O-N 3.08Å; D28-K31 PolarHBondContact O-N 3.29Å; I29-K31 VanDerWaalsContact C-N 3.31Å; I29-K31 PolarHBondContact O-N 3.08Å
32	N	62.4	Low	74	Confident	113 Å²	113	78.6 Å²	78.6	60%	0.604	40%	0.401	S	S	*	.			trans	-138.4	85.9	-177.3	-75.5	-31	0	0	0	110.8	D28 E34	D28-N32 PolarHBondContact O-N 2.77Å; N32-E34 VanDerWaalsContact C-N 3.26Å; N32-E34 PolarHBondContact O-N 3.37Å
33	P	76	Confident	76.2	Confident	79 Å²	79	74.2 Å²	74.2	51%	0.513	38%	0.381	S	S	.	.	S	Bend	trans	-70.2	-22.8	-176.3	27.9	-34.9	0	0	0	113.4	H48	P33-H48 PolarHBondContact O-ND1 3.16Å
34	E	90	Very high	78.3	Confident	70 Å²	70	67 Å²	67	33%	0.327	35%	0.354	S	S	.	.			trans	-147.4	134.8	-176.4	-179.8	176.3	-143	0	0	110.6	N32 V36 R44 S46 H48	N32-E34 VanDerWaalsContact C-N 3.26Å; N32-E34 PolarHBondContact O-N 3.37Å; E34-V36 HydrophobicContact CG-CG2 4.16Å; E34-R44 IonicContact OE1-CZ 3.05Å; E34-R44 IonicContact OE1-NH1 3.84Å; E34-R44 PolarHBondContact OE1-NH1 3.3Å; E34-R44 IonicContact OE1-NH2 3.92Å; E34-R44 PolarHBondContact OE1-NH2 3Å; E34-R44 IonicContact OE2-NH2 2.68Å; E34-R44 PolarHBondContact OE2-NH2 2.99Å; E34-R44 VanDerWaalsContact OE2-NH2 3.16Å; E34-S46 PolarHBondContact OE1-OG 2.98Å; E34-H48 VanDerWaalsContact CG-CE1 3.42Å; E34-H48 WeakPolarHBondContact CG-CE1 3.12Å; E34-H48 IonicContact OE1-CE1 3.41Å; E34-H48 PolarHBondContact OE1-CE1 2.02Å; E34-H48 IonicContact OE1-NE2 3.63Å
35	I	90.9	Very high	80.3	Confident	42 Å²	42	64.2 Å²	64.2	22%	0.215	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	108.5	168.7	-53.7	171.3	0	0	0	107.9	I37 S46 L47	I35-I37 HydrophobicContact CG2-CD1 4.04Å; I35-I37 PolarHBondContact O-N 3.36Å; I35-S46 CarbonylContact O-C 3.59Å; I35-S46 VanDerWaalsContact O-CA 3.28Å; I35-S46 WeakPolarHBondContact O-CA 3.38Å; I35-L47 PolarHBondContact N-O 3.4Å; I35-L47 PolarHBondContact O-N 3.49Å
36	V	92.8	Very high	82.2	Confident	39 Å²	39	60.4 Å²	60.4	24%	0.236	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	115.6	175.9	-177.6	0	0	0	0	109.3	E34 E39 R44 K225	E34-V36 HydrophobicContact CG-CG2 4.16Å; V36-E39 HydrophobicContact CG1-CB 3.86Å; V36-R44 HydrophobicContact CG1-CG 4.47Å; V36-K225 WeakPolarHBondContact O-CE 3.27Å; V36-K225 PolarHBondContact O-NZ 3.15Å; V36-K225 VanDerWaalsContact O-NZ 3.14Å
37	I	92.1	Very high	83.5	Confident	5 Å²	5	59.6 Å²	59.6	3%	0.026	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	-50.8	179.8	-52.3	-61.5	0	0	0	109.6	I35 Y45 L47 K225 G226 D244	I35-I37 HydrophobicContact CG2-CD1 4.04Å; I35-I37 PolarHBondContact O-N 3.36Å; I37-Y45 HydrophobicContact CB-CD1 3.86Å; I37-Y45 HydrophobicContact CG1-CD1 3.88Å; I37-Y45 HydrophobicContact CG1-CE1 4.16Å; I37-Y45 HydrophobicContact CG2-CD1 4.42Å; I37-Y45 PolarHBondContact N-O 3.29Å; I37-L47 HydrophobicContact CD1-CD1 3.89Å; I37-L47 HydrophobicContact CD1-CG 4.07Å; I37-L47 HydrophobicContact CG1-CD1 4.2Å; I37-L47 HydrophobicContact CG1-CG 3.9Å; I37-K225 HydrophobicContact CD1-CB 4.27Å; I37-K225 HydrophobicContact CG2-CB 4.41Å; I37-K225 VanDerWaalsContact O-CD 3.24Å; I37-K225 WeakPolarHBondContact O-CD 3.35Å; I37-K225 WeakPolarHBondContact O-CE 3.48Å; I37-K225 PolarHBondContact O-NZ 2.86Å; I37-G226 VanDerWaalsContact CD1-CA 3.49Å; I37-D244 WeakPolarHBondContact CG2-O 3.28Å
38	I	92.4	Very high	84.9	Confident	35 Å²	35	55.6 Å²	55.6	18%	0.179	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	142.5	175.7	178.7	168.1	0	0	0	110.1	Y43 R44 Y45 V247	I38-Y43 HydrophobicContact CG2-CD1 3.91Å; I38-Y43 HydrophobicContact CG2-CE1 3.81Å; I38-R44 CarbonylContact O-C 3.55Å; I38-R44 VanDerWaalsContact O-CA 3.32Å; I38-R44 WeakPolarHBondContact O-CA 2.91Å; I38-Y45 PolarHBondContact N-O 3.4Å; I38-Y45 PolarHBondContact O-N 2.71Å; I38-V247 HydrophobicContact CB-CG2 3.95Å; I38-V247 HydrophobicContact CD1-CG1 4.02Å; I38-V247 HydrophobicContact CD1-CG2 3.77Å; I38-V247 HydrophobicContact CG1-CG2 4.37Å; I38-V247 HydrophobicContact CG2-CG2 4.21Å
39	E	94	Very high	85.7	Confident	76 Å²	76	52.5 Å²	52.5	36%	0.355	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	126.2	172.6	-171.1	165.7	169.4	0	0	108.6	V36 Y43 R44 K184 W185	V36-E39 HydrophobicContact CG1-CB 3.86Å; E39-Y43 WeakPolarHBondContact CA-O 3.34Å; E39-R44 HydrophobicContact CB-CG 4.23Å; E39-R44 HydrophobicContact CG-CB 4.28Å; E39-R44 HydrophobicContact CG-CG 4.03Å; E39-R44 IonicContact OE1-NE 2.96Å; E39-R44 IonicContact OE2-CZ 2.69Å; E39-R44 IonicContact OE2-NE 2.86Å; E39-R44 PolarHBondContact OE2-NE 2.89Å; E39-K184 WeakPolarHBondContact OE1-CE 3.41Å; E39-K184 IonicContact OE1-NZ 3.92Å; E39-K184 PolarHBondContact OE1-NZ 3.44Å; E39-W185 HydrophobicContact CG-CZ2 3.98Å
40	N	93.6	Very high	86.9	Confident	72 Å²	72	52.9 Å²	52.9	39%	0.385	28%	0.279	S	S	.	.			trans	-137	-169.4	168.6	66.7	36.7	0	0	0	108.5	T42 Y43 W185	N40-T42 PolarHBondContact O-N 3.08Å; N40-T42 PolarHBondContact OD1-N 2.91Å; N40-T42 PolarHBondContact OD1-OG1 2.64Å; N40-Y43 PolarHBondContact N-O 3.14Å; N40-Y43 WeakPolarHBondContact OD1-CA 3.42Å; N40-Y43 VanDerWaalsContact OD1-CB 3.32Å; N40-Y43 WeakPolarHBondContact OD1-CB 3.47Å; N40-Y43 PolarHBondContact OD1-N 3.47Å; N40-Y43 PolarHBondContact OD1-O 2.88Å; N40-W185 WeakPolarHBondContact O-CH2 3.41Å; N40-W185 WeakPolarHBondContact O-CZ2 3.07Å
41	D	93	Very high	88.2	Confident	151 Å²	151	48.5 Å²	48.5	81%	0.807	25%	0.248	S	C	*	.	S	Bend	trans	-69.3	-19.7	-175.4	-64.4	-27.3	0	0	0	114.6
42	T	94.8	Very high	89.8	Confident	61 Å²	61	41.7 Å²	41.7	37%	0.374	22%	0.219	S	C	.	.	S	Bend	trans	-120.1	-14.4	-172.9	66.3	0	0	0	0	113.9	N40 Q56 R57 Y58	N40-T42 PolarHBondContact O-N 3.08Å; N40-T42 PolarHBondContact OD1-N 2.91Å; N40-T42 PolarHBondContact OD1-OG1 2.64Å; T42-Q56 CarbonylContact O-C 3.5Å; T42-Q56 WeakPolarHBondContact O-CA 3.26Å; T42-R57 PolarHBondContact O-N 2.96Å; T42-Y58 HydrophobicContact CG2-CD2 4.2Å; T42-Y58 HydrophobicContact CG2-CE2 3.68Å
43	Y	95.1	Very high	91.4	Very high	39 Å²	39	36.3 Å²	36.3	15%	0.153	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	135.6	-169.4	-165.5	-98	0	0	0	111.6	I38 E39 N40 R54 I55 Q56 D244	I38-Y43 HydrophobicContact CG2-CD1 3.91Å; I38-Y43 HydrophobicContact CG2-CE1 3.81Å; E39-Y43 WeakPolarHBondContact CA-O 3.34Å; N40-Y43 PolarHBondContact N-O 3.14Å; N40-Y43 WeakPolarHBondContact OD1-CA 3.42Å; N40-Y43 VanDerWaalsContact OD1-CB 3.32Å; N40-Y43 WeakPolarHBondContact OD1-CB 3.47Å; N40-Y43 PolarHBondContact OD1-N 3.47Å; N40-Y43 PolarHBondContact OD1-O 2.88Å; Y43-R54 HydrophobicContact CE2-CG 3.82Å; Y43-R54 WeakPolarHBondContact OH-CD 3.47Å; Y43-R54 WeakPolarHBondContact OH-CG 3.45Å; Y43-R54 PolarHBondContact OH-NE 3.24Å; Y43-I55 CarbonylContact C-O 3.59Å; Y43-I55 WeakPolarHBondContact CA-O 3.24Å; Y43-Q56 HydrophobicContact CD2-CG 3.63Å; Y43-Q56 HydrophobicContact CE2-CG 3.54Å; Y43-D244 WeakPolarHBondContact CE1-OD1 3.23Å; Y43-D244 VanDerWaalsContact CZ-OD1 3.24Å; Y43-D244 PolarHBondContact OH-OD1 3.44Å; Y43-D244 PolarHBondContact OH-OD2 2.93Å; Y43-D244 VanDerWaalsContact OH-OD2 3.13Å
44	R	95.8	Very high	92.3	Very high	13 Å²	13	33.1 Å²	33.1	5%	0.049	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	131.5	169.6	-175	175.8	-171.1	-106.7	6.8	110	E34 V36 I38 E39 R54 I55 W185	E34-R44 IonicContact OE1-CZ 3.05Å; E34-R44 IonicContact OE1-NH1 3.84Å; E34-R44 PolarHBondContact OE1-NH1 3.3Å; E34-R44 IonicContact OE1-NH2 3.92Å; E34-R44 PolarHBondContact OE1-NH2 3Å; E34-R44 IonicContact OE2-NH2 2.68Å; E34-R44 PolarHBondContact OE2-NH2 2.99Å; E34-R44 VanDerWaalsContact OE2-NH2 3.16Å; V36-R44 HydrophobicContact CG1-CG 4.47Å; I38-R44 CarbonylContact O-C 3.55Å; I38-R44 VanDerWaalsContact O-CA 3.32Å; I38-R44 WeakPolarHBondContact O-CA 2.91Å; E39-R44 HydrophobicContact CB-CG 4.23Å; E39-R44 HydrophobicContact CG-CB 4.28Å; E39-R44 HydrophobicContact CG-CG 4.03Å; E39-R44 IonicContact OE1-NE 2.96Å; E39-R44 IonicContact OE2-CZ 2.69Å; E39-R44 IonicContact OE2-NE 2.86Å; E39-R44 PolarHBondContact OE2-NE 2.89Å; R44-R54 CarbonylContact O-C 3.57Å; R44-R54 WeakPolarHBondContact O-CA 3.49Å; R44-I55 HydrophobicContact CB-CB 4.15Å; R44-I55 HydrophobicContact CB-CG1 4.47Å; R44-I55 PolarHBondContact N-O 2.89Å; R44-I55 PolarHBondContact O-N 3.03Å; R44-W185 HydrophobicContact CB-CH2 4.01Å; R44-W185 HydrophobicContact CB-CZ2 3.68Å; R44-W185 HydrophobicContact CG-CZ2 4.49Å
45	Y	95.5	Very high	92.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	124.7	170.8	-176.5	-111.9	0	0	0	109.6	I37 I38 L47 S52 M53 R54 D244	I37-Y45 HydrophobicContact CB-CD1 3.86Å; I37-Y45 HydrophobicContact CG1-CD1 3.88Å; I37-Y45 HydrophobicContact CG1-CE1 4.16Å; I37-Y45 HydrophobicContact CG2-CD1 4.42Å; I37-Y45 PolarHBondContact N-O 3.29Å; I38-Y45 PolarHBondContact N-O 3.4Å; I38-Y45 PolarHBondContact O-N 2.71Å; Y45-L47 HydrophobicContact CE1-CD2 3.82Å; Y45-L47 HydrophobicContact CE1-CG 4.41Å; Y45-L47 WeakPolarHBondContact OH-CD2 3.37Å; Y45-S52 VanDerWaalsContact OH-CB 3.26Å; Y45-S52 WeakPolarHBondContact OH-CB 3.27Å; Y45-M53 WeakPolarHBondContact CA-O 3.21Å; Y45-R54 HydrophobicContact CD2-CB 4.14Å; Y45-D244 HydrophobicContact CD1-CB 3.6Å; Y45-D244 HydrophobicContact CD2-CB 4.35Å; Y45-D244 HydrophobicContact CE1-CB 3.7Å; Y45-D244 HydrophobicContact CE2-CB 4.41Å; Y45-D244 HydrophobicContact CG-CB 3.95Å
46	S	95	Very high	92.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	145.8	178.3	55.7	0	0	0	0	111.4	E34 I35 H48 S52 M53	E34-S46 PolarHBondContact OE1-OG 2.98Å; I35-S46 CarbonylContact O-C 3.59Å; I35-S46 VanDerWaalsContact O-CA 3.28Å; I35-S46 WeakPolarHBondContact O-CA 3.38Å; S46-H48 PolarHBondContact OG-NE2 2.98Å; S46-S52 CarbonylContact O-C 3.56Å; S46-S52 WeakPolarHBondContact O-CA 3.15Å; S46-M53 PolarHBondContact N-O 3.36Å; S46-M53 PolarHBondContact O-N 3.42Å; S46-M53 VanDerWaalsContact OG-CE 3.31Å; S46-M53 WeakPolarHBondContact OG-CE 3.47Å
47	L	92.1	Very high	92.9	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	122.6	170.7	-59.7	-179.5	0	0	0	108.3	I35 I37 Y45 I197 C223 K228 I230	I35-L47 PolarHBondContact N-O 3.4Å; I35-L47 PolarHBondContact O-N 3.49Å; I37-L47 HydrophobicContact CD1-CD1 3.89Å; I37-L47 HydrophobicContact CD1-CG 4.07Å; I37-L47 HydrophobicContact CG1-CD1 4.2Å; I37-L47 HydrophobicContact CG1-CG 3.9Å; Y45-L47 HydrophobicContact CE1-CD2 3.82Å; Y45-L47 HydrophobicContact CE1-CG 4.41Å; Y45-L47 WeakPolarHBondContact OH-CD2 3.37Å; L47-I197 HydrophobicContact CD2-CD1 4.02Å; L47-C223 HydrophobicContact CD1-CB 4.24Å; L47-K228 HydrophobicContact CD1-CB 4.13Å; L47-K228 HydrophobicContact CD1-CD 4.09Å; L47-I230 HydrophobicContact CD2-CG2 4.43Å
48	H	89.9	Confident	93	Very high	7 Å²	7	37.7 Å²	37.7	3%	0.032	18%	0.177	C	C	.	.			trans	-98.3	-172.5	165.7	-59.1	-85.4	0	0	0	108.2	P33 E34 S46 Y51 I179 K228	P33-H48 PolarHBondContact O-ND1 3.16Å; E34-H48 VanDerWaalsContact CG-CE1 3.42Å; E34-H48 WeakPolarHBondContact CG-CE1 3.12Å; E34-H48 IonicContact OE1-CE1 3.41Å; E34-H48 PolarHBondContact OE1-CE1 2.02Å; E34-H48 IonicContact OE1-NE2 3.63Å; S46-H48 PolarHBondContact OG-NE2 2.98Å; H48-Y51 CarbonylContact C-O 3.6Å; H48-Y51 VanDerWaalsContact CA-O 3.3Å; H48-Y51 WeakPolarHBondContact CA-O 3.33Å; H48-Y51 VanDerWaalsContact CB-O 3.32Å; H48-Y51 WeakPolarHBondContact CB-O 3.21Å; H48-Y51 PolarHBondContact N-O 3.2Å; H48-I179 HydrophobicContact CB-CD1 3.71Å; H48-I179 HydrophobicContact CB-CG1 4.04Å; H48-I179 HydrophobicContact CB-CG2 4.48Å; H48-I179 VanDerWaalsContact CE1-CG2 3.46Å; H48-I179 WeakPolarHBondContact CE1-CG2 3.36Å; H48-I179 WeakPolarHBondContact ND1-CG2 3.32Å; H48-K228 PolarHBondContact O-NZ 2.83Å; H48-K228 VanDerWaalsContact O-NZ 3.13Å
49	Y	81.4	Confident	93.1	Very high	35 Å²	35	39.6 Å²	39.6	14%	0.137	19%	0.186	C	C	.	.	S	Bend	trans	-57.5	-68.7	-177	173.6	-117.8	0	0	0	113	Y24 I29 I168	Y24-Y49 WeakPolarHBondContact CB-OH 3.22Å; Y24-Y49 AromaticContact CD1-CE2 3.78Å; Y24-Y49 HydrophobicContact CD1-CE2 3.78Å; Y24-Y49 AromaticContact CD1-CZ 3.91Å; Y24-Y49 VanDerWaalsContact CD1-OH 3.28Å; Y24-Y49 WeakPolarHBondContact CD1-OH 3.04Å; Y24-Y49 WeakPolarHBondContact CD2-OH 3.24Å; Y24-Y49 HydrophobicContact CE1-CE2 4.3Å; Y24-Y49 HydrophobicContact CG-CE2 4.11Å; Y24-Y49 AromaticContact CG-CZ 3.81Å; I29-Y49 HydrophobicContact CD1-CD1 3.87Å; I29-Y49 HydrophobicContact CD1-CD2 3.97Å; I29-Y49 HydrophobicContact CD1-CE1 3.49Å; I29-Y49 VanDerWaalsContact CD1-CE1 3.49Å; I29-Y49 HydrophobicContact CD1-CE2 3.61Å; I29-Y49 HydrophobicContact CD1-CG 4.08Å; I29-Y49 HydrophobicContact CG1-CD1 4.2Å; I29-Y49 HydrophobicContact CG1-CD2 3.51Å; I29-Y49 HydrophobicContact CG1-CE1 4.15Å; I29-Y49 HydrophobicContact CG1-CE2 3.47Å; I29-Y49 VanDerWaalsContact CG1-CE2 3.47Å; I29-Y49 HydrophobicContact CG1-CG 3.88Å; I29-Y49 HydrophobicContact CG2-CG 4.41Å; Y49-I168 HydrophobicContact CD1-CG2 4.32Å; Y49-I168 HydrophobicContact CE1-CG2 4.13Å
50	N	83.2	Confident	93	Very high	22 Å²	22	41.1 Å²	41.1	12%	0.118	21%	0.205	C	C	.	.	S	Bend	trans	-106.2	8.4	178.8	-72.6	-3.6	0	0	0	113.4	E196 I197	N50-E196 CarbonylContact O-C 3.56Å; N50-E196 WeakPolarHBondContact O-CA 3.34Å; N50-I197 PolarHBondContact O-N 2.8Å
51	Y	91.9	Very high	92.6	Very high	12 Å²	12	44.1 Å²	44.1	5%	0.047	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	145	-174	-75.9	-83.8	0	0	0	110.3	H48 Y87 I164 I179 F194 E195 E196 I197	H48-Y51 CarbonylContact C-O 3.6Å; H48-Y51 VanDerWaalsContact CA-O 3.3Å; H48-Y51 WeakPolarHBondContact CA-O 3.33Å; H48-Y51 VanDerWaalsContact CB-O 3.32Å; H48-Y51 WeakPolarHBondContact CB-O 3.21Å; H48-Y51 PolarHBondContact N-O 3.2Å; Y51-Y87 HydrophobicContact CD2-CE2 4.49Å; Y51-Y87 HydrophobicContact CE2-CD1 4.33Å; Y51-Y87 AromaticContact CE2-CD2 3.76Å; Y51-Y87 HydrophobicContact CE2-CD2 3.76Å; Y51-Y87 HydrophobicContact CE2-CE1 4.3Å; Y51-Y87 AromaticContact CE2-CE2 3.76Å; Y51-Y87 HydrophobicContact CE2-CE2 3.76Å; Y51-Y87 HydrophobicContact CE2-CG 4.08Å; Y51-Y87 PolarHBondContact OH-N 2.03Å; Y51-I164 HydrophobicContact CD1-CD1 4.23Å; Y51-I164 HydrophobicContact CD2-CD1 4.08Å; Y51-I164 HydrophobicContact CE1-CD1 4.38Å; Y51-I164 HydrophobicContact CE2-CD1 4.22Å; Y51-I164 HydrophobicContact CG-CD1 4.09Å; Y51-I179 HydrophobicContact CD2-CD1 3.79Å; Y51-I179 HydrophobicContact CG-CD1 4.02Å; Y51-F194 HydrophobicContact CD1-CB 4.21Å; Y51-E195 CarbonylContact C-O 3.59Å; Y51-E195 VanDerWaalsContact CA-O 3.26Å; Y51-E195 WeakPolarHBondContact CA-O 3.31Å; Y51-E196 HydrophobicContact CD1-CB 4.42Å; Y51-E196 HydrophobicContact CE1-CB 4.02Å; Y51-I197 VanDerWaalsContact C-CD1 3.49Å; Y51-I197 WeakPolarHBondContact O-CD1 3.41Å
52	S	93.2	Very high	92.2	Very high	4 Å²	4	42.2 Å²	42.2	3%	0.028	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	146.9	156.6	70	0	0	0	0	109.2	Y45 S46 F194 E195	Y45-S52 VanDerWaalsContact OH-CB 3.26Å; Y45-S52 WeakPolarHBondContact OH-CB 3.27Å; S46-S52 CarbonylContact O-C 3.56Å; S46-S52 WeakPolarHBondContact O-CA 3.15Å; S52-F194 WeakPolarHBondContact O-CA 3.28Å; S52-E195 PolarHBondContact N-O 3Å; S52-E195 PolarHBondContact O-N 3.09Å
53	M	95.7	Very high	91.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	122.1	175.2	-178.6	178	60.1	0	0	108.8	Y45 S46 I55 V181 V192 V193 F194	Y45-M53 WeakPolarHBondContact CA-O 3.21Å; S46-M53 PolarHBondContact N-O 3.36Å; S46-M53 PolarHBondContact O-N 3.42Å; S46-M53 VanDerWaalsContact OG-CE 3.31Å; S46-M53 WeakPolarHBondContact OG-CE 3.47Å; M53-I55 HydrophobicContact CE-CD1 3.96Å; M53-I55 HydrophobicContact CE-CG1 4.44Å; M53-I55 HydrophobicContact CG-CG1 4.1Å; M53-I55 HydrophobicContact SD-CD1 4.09Å; M53-I55 HydrophobicContact SD-CG1 4.27Å; M53-V181 HydrophobicContact SD-CG2 4.28Å; M53-V192 HydrophobicContact CG-CG1 3.99Å; M53-V192 HydrophobicContact SD-CG1 4.12Å; M53-V193 WeakPolarHBondContact CA-O 3.23Å; M53-F194 HydrophobicContact CB-CD1 4.06Å; M53-F194 HydrophobicContact CB-CE1 3.93Å; M53-F194 HydrophobicContact CG-CD1 4.12Å; M53-F194 HydrophobicContact CG-CE1 3.69Å; M53-F194 HydrophobicContact CG-CZ 4.19Å; M53-F194 HydrophobicContact SD-CE1 3.54Å; M53-F194 VanDerWaalsContact SD-CE1 3.54Å; M53-F194 HydrophobicContact SD-CZ 3.73Å
54	R	95.3	Very high	91.4	Very high	12 Å²	12	42.2 Å²	42.2	5%	0.045	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	127.1	172.8	-175	-179.8	-62.1	109.8	2.1	109.2	Y43 R44 Y45 Q56 V192 V193 D244	Y43-R54 HydrophobicContact CE2-CG 3.82Å; Y43-R54 WeakPolarHBondContact OH-CD 3.47Å; Y43-R54 WeakPolarHBondContact OH-CG 3.45Å; Y43-R54 PolarHBondContact OH-NE 3.24Å; R44-R54 CarbonylContact O-C 3.57Å; R44-R54 WeakPolarHBondContact O-CA 3.49Å; Y45-R54 HydrophobicContact CD2-CB 4.14Å; R54-Q56 HydrophobicContact CG-CG 4.14Å; R54-V192 CarbonylContact O-C 3.57Å; R54-V192 WeakPolarHBondContact O-CA 3.33Å; R54-V193 HydrophobicContact CB-CB 4.35Å; R54-V193 PolarHBondContact N-O 3.23Å; R54-V193 PolarHBondContact O-N 2.92Å; R54-D244 IonicContact CZ-OD2 2.92Å; R54-D244 VanDerWaalsContact CZ-OD2 3.29Å; R54-D244 IonicContact NE-OD2 3.26Å; R54-D244 PolarHBondContact NE-OD2 2.88Å; R54-D244 IonicContact NH2-OD2 2.64Å; R54-D244 PolarHBondContact NH2-OD2 3.29Å
55	I	96.3	Very high	90.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	128.3	176	-48.7	-176.7	0	0	0	108.6	Y43 R44 M53 V181 W185 T190 L191 V192	Y43-I55 CarbonylContact C-O 3.59Å; Y43-I55 WeakPolarHBondContact CA-O 3.24Å; R44-I55 HydrophobicContact CB-CB 4.15Å; R44-I55 HydrophobicContact CB-CG1 4.47Å; R44-I55 PolarHBondContact N-O 2.89Å; R44-I55 PolarHBondContact O-N 3.03Å; M53-I55 HydrophobicContact CE-CD1 3.96Å; M53-I55 HydrophobicContact CE-CG1 4.44Å; M53-I55 HydrophobicContact CG-CG1 4.1Å; M53-I55 HydrophobicContact SD-CD1 4.09Å; M53-I55 HydrophobicContact SD-CG1 4.27Å; I55-V181 HydrophobicContact CD1-CG1 4.15Å; I55-W185 HydrophobicContact CB-CD2 4.43Å; I55-W185 HydrophobicContact CB-CE3 4.18Å; I55-W185 HydrophobicContact CD1-CB 4.04Å; I55-W185 HydrophobicContact CD1-CD2 4.33Å; I55-W185 HydrophobicContact CD1-CG 3.92Å; I55-W185 HydrophobicContact CG2-CB 4.03Å; I55-W185 HydrophobicContact CG2-CD2 3.84Å; I55-W185 HydrophobicContact CG2-CE3 3.38Å; I55-W185 HydrophobicContact CG2-CG 4.11Å; I55-W185 HydrophobicContact CG2-CZ3 4.08Å; I55-T190 HydrophobicContact CG2-CG2 3.4Å; I55-L191 CarbonylContact C-O 3.5Å; I55-L191 WeakPolarHBondContact CA-O 3.45Å; I55-V192 HydrophobicContact CG1-CG1 4.39Å; I55-V192 HydrophobicContact CG1-CG2 4.27Å; I55-V192 HydrophobicContact CG2-CG2 4.2Å
56	Q	95.7	Very high	90.6	Very high	40 Å²	40	52 Å²	52	19%	0.187	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	131.2	-178.5	-67.6	176	-93.6	0	0	110.3	T42 Y43 R54 Q59 T190 L191	T42-Q56 CarbonylContact O-C 3.5Å; T42-Q56 WeakPolarHBondContact O-CA 3.26Å; Y43-Q56 HydrophobicContact CD2-CG 3.63Å; Y43-Q56 HydrophobicContact CE2-CG 3.54Å; R54-Q56 HydrophobicContact CG-CG 4.14Å; Q56-Q59 HydrophobicContact CB-CG 3.59Å; Q56-T190 CarbonylContact O-C 3.53Å; Q56-T190 WeakPolarHBondContact O-CA 3.37Å; Q56-L191 PolarHBondContact N-O 3.31Å; Q56-L191 PolarHBondContact O-N 2.59Å
57	R	95.6	Very high	90.5	Very high	41 Å²	41	53.5 Å²	53.5	16%	0.155	28%	0.281	C	S	.	.	S	Bend	trans	-87.3	162.3	173.5	-62	-77.1	-70.3	137.2	7.1	110.8	T42 Q59 W185 S188 G189 T190	T42-R57 PolarHBondContact O-N 2.96Å; R57-Q59 PolarHBondContact O-N 2.94Å; R57-Q59 PolarHBondContact O-NE2 2.85Å; R57-W185 HydrophobicContact CG-CE3 4.09Å; R57-W185 HydrophobicContact CG-CZ3 3.68Å; R57-S188 PolarHBondContact NH1-O 2.94Å; R57-G189 CarbonylContact C-O 3.58Å; R57-T190 PolarHBondContact NH1-OG1 2.48Å
58	Y	94.5	Very high	90.6	Very high	170 Å²	170	54.5 Å²	54.5	67%	0.667	29%	0.286	S	S	*	.	S	Bend	trans	58	34.8	175.6	-44.5	-62	0	0	0	113.7	T42 G189	T42-Y58 HydrophobicContact CG2-CD2 4.2Å; T42-Y58 HydrophobicContact CG2-CE2 3.68Å; Y58-G189 PolarHBondContact N-O 3.27Å
59	Q	93.7	Very high	90.6	Very high	75 Å²	75	61.9 Å²	61.9	35%	0.35	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-91.1	146.2	177.9	-59.7	-54.8	-57.8	0	0	111.2	Q56 R57 G189 L191	Q56-Q59 HydrophobicContact CB-CG 3.59Å; R57-Q59 PolarHBondContact O-N 2.94Å; R57-Q59 PolarHBondContact O-NE2 2.85Å; Q59-G189 PolarHBondContact N-O 2.87Å; Q59-L191 HydrophobicContact CB-CB 3.8Å; Q59-L191 HydrophobicContact CG-CB 3.73Å; Q59-L191 HydrophobicContact CG-CD2 4.4Å
60	S	91.1	Very high	91.1	Very high	109 Å²	109	63.9 Å²	63.9	76%	0.762	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-73.8	161.6	169.9	-66.5	0	0	0	0	110.9
61	Q	85.4	Confident	91.5	Very high	134 Å²	134	67.4 Å²	67.4	63%	0.626	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-61.6	130.5	173.1	-70.2	-175.1	-8.7	0	0	109.9	A63 S65	Q61-A63 PolarHBondContact O-N 2.86Å; Q61-S65 PolarHBondContact OE1-OG 3.45Å
62	P	84.1	Confident	91.4	Very high	111 Å²	111	66.8 Å²	66.8	72%	0.721	34%	0.343	S	S	*	.	S	Bend	trans	-62.9	-25.8	-178.2	-25.6	34.4	0	0	0	114.4	L191	P62-L191 HydrophobicContact CG-CD1 3.79Å
63	A	86.8	Confident	91.1	Very high	12 Å²	12	71.8 Å²	71.8	10%	0.099	37%	0.369	C	S	.	.	S	Bend	trans	-135.6	144.6	178.9	0	0	0	0	0	110.4	Q61 F68 L130 L135	Q61-A63 PolarHBondContact O-N 2.86Å; A63-F68 HydrophobicContact CB-CE2 3.97Å; A63-F68 HydrophobicContact CB-CZ 4.21Å; A63-L130 HydrophobicContact CB-CD2 4.01Å; A63-L135 HydrophobicContact CB-CD2 4Å
64	P	87.8	Confident	90.7	Very high	88 Å²	88	78.1 Å²	78.1	57%	0.571	40%	0.397	S	S	*	.			trans	-57.4	140.3	175.6	-23.2	33.3	0	0	0	111.9	E66 S67	P64-E66 PolarHBondContact O-N 3.39Å; P64-E66 VanDerWaalsContact O-N 3.14Å; P64-S67 WeakPolarHBondContact O-CB 2.99Å; P64-S67 PolarHBondContact O-N 3.31Å; P64-S67 VanDerWaalsContact O-N 3.13Å; P64-S67 PolarHBondContact O-OG 3.43Å
65	S	84.3	Confident	90.5	Very high	46 Å²	46	80.1 Å²	80.1	32%	0.322	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-59.6	-27.6	-179.6	-84.7	0	0	0	0	113.8	Q61 S67 K139	Q61-S65 PolarHBondContact OE1-OG 3.45Å; S65-S67 VanDerWaalsContact C-N 3.34Å; S65-K139 VanDerWaalsContact CB-NZ 3.32Å; S65-K139 PolarHBondContact OG-NZ 2.99Å
66	E	89.5	Confident	90.4	Very high	172 Å²	172	82.9 Å²	82.9	80%	0.804	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-75.6	-20.4	-179.1	-63.5	171.1	-166.5	0	0	113.5	P64 F68	P64-E66 PolarHBondContact O-N 3.39Å; P64-E66 VanDerWaalsContact O-N 3.14Å; E66-F68 PolarHBondContact O-N 2.94Å
67	S	92.3	Very high	90.3	Very high	33 Å²	33	84.3 Å²	84.3	23%	0.231	43%	0.427	C	S	.	.	G	3₁₀ helix	trans	-67.7	-26.9	177.6	-54.4	0	0	0	0	111.6	P64 S65 K69 L130	P64-S67 WeakPolarHBondContact O-CB 2.99Å; P64-S67 PolarHBondContact O-N 3.31Å; P64-S67 VanDerWaalsContact O-N 3.13Å; P64-S67 PolarHBondContact O-OG 3.43Å; S65-S67 VanDerWaalsContact C-N 3.34Å; S67-K69 PolarHBondContact O-N 3.42Å; S67-L130 WeakPolarHBondContact O-CD1 3.23Å
68	F	94	Very high	90.3	Very high	22 Å²	22	82.4 Å²	82.4	10%	0.096	42%	0.42	C	S	.	.			trans	-79.6	83.7	178.3	-62.1	-93.3	0	0	0	111.4	A63 E66 R128 L130 K139	A63-F68 HydrophobicContact CB-CE2 3.97Å; A63-F68 HydrophobicContact CB-CZ 4.21Å; E66-F68 PolarHBondContact O-N 2.94Å; F68-R128 HydrophobicContact CB-CB 3.77Å; F68-R128 WeakPolarHBondContact CD1-O 3.5Å; F68-R128 WeakPolarHBondContact O-CD 3.37Å; F68-L130 HydrophobicContact CD1-CB 3.6Å; F68-L130 HydrophobicContact CE1-CB 3.65Å; F68-L130 HydrophobicContact CE1-CD2 4.41Å; F68-L130 HydrophobicContact CE2-CD2 4.37Å; F68-L130 HydrophobicContact CG-CB 4.16Å; F68-L130 HydrophobicContact CZ-CB 4.23Å; F68-L130 HydrophobicContact CZ-CD2 4.16Å; F68-K139 HydrophobicContact CB-CB 4.23Å; F68-K139 HydrophobicContact CD1-CB 3.65Å; F68-K139 HydrophobicContact CD2-CB 4.13Å; F68-K139 HydrophobicContact CD2-CD 4.28Å; F68-K139 HydrophobicContact CE1-CB 3.96Å; F68-K139 HydrophobicContact CE2-CB 4.42Å; F68-K139 HydrophobicContact CG-CB 3.74Å; F68-K139 HydrophobicContact CG-CD 4.45Å; F68-K139 HydrophobicContact CZ-CB 4.34Å
69	K	90	Very high	90.4	Very high	162 Å²	162	81.7 Å²	81.7	70%	0.704	42%	0.416	S	S	*	.			trans	-91.4	-38.2	-173.4	-65.4	177.1	-177.3	176.2	0	113.6	S67 K71 I129	S67-K69 PolarHBondContact O-N 3.42Å; K69-K71 PolarHBondContact O-N 2.87Å; K69-I129 PolarHBondContact N-O 3.29Å
70	N	92.3	Very high	90.6	Very high	76 Å²	76	79.1 Å²	79.1	41%	0.406	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	109.6	-168.8	-67.1	-15.5	0	0	0	110.7	Y76 R128 I129	N70-Y76 HydrophobicContact CB-CE2 3.98Å; N70-Y76 PolarHBondContact ND2-OH 3.23Å; N70-Y76 VanDerWaalsContact ND2-OH 3.17Å; N70-R128 CarbonylContact O-C 3.57Å; N70-R128 VanDerWaalsContact O-CA 3.22Å; N70-R128 WeakPolarHBondContact O-CA 3.32Å; N70-I129 HydrophobicContact CB-CB 4.38Å; N70-I129 PolarHBondContact N-O 3.43Å; N70-I129 PolarHBondContact O-N 3Å
71	K	91.9	Very high	90.8	Very high	96 Å²	96	79.6 Å²	79.6	42%	0.417	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	136.1	173.1	-175.3	179.6	172.5	-171.7	0	110.5	K69 E126	K69-K71 PolarHBondContact O-N 2.87Å; K71-E126 HydrophobicContact CG-CG 4.46Å
72	I	89.9	Confident	91.2	Very high	0 Å²	0	76.3 Å²	76.3	0%	0	38%	0.381	C	S	.	.			trans	-83.3	121.4	173.2	-53	-178.9	0	0	0	108	F96 E98 S127 I129 V138	I72-F96 HydrophobicContact CD1-CB 3.53Å; I72-F96 HydrophobicContact CD1-CG 4.27Å; I72-F96 WeakPolarHBondContact CG2-O 3.45Å; I72-E98 HydrophobicContact CG2-CB 4.22Å; I72-E98 VanDerWaalsContact O-CD 3.24Å; I72-S127 VanDerWaalsContact CD1-CB 3.43Å; I72-S127 PolarHBondContact N-O 3.12Å; I72-I129 HydrophobicContact CD1-CD1 3.56Å; I72-I129 HydrophobicContact CD1-CG1 3.54Å; I72-I129 HydrophobicContact CG1-CD1 4.26Å; I72-I129 HydrophobicContact CG1-CG1 3.65Å; I72-V138 HydrophobicContact CD1-CG2 4.13Å
73	N	86.8	Confident	91.7	Very high	109 Å²	109	75.8 Å²	75.8	58%	0.583	38%	0.38	S	S	*	.	S	Bend	trans	-113.4	110.2	171.3	-65.1	-29.7	0	0	0	107.6	V75 E98	N73-V75 PolarHBondContact O-N 2.91Å; N73-E98 WeakPolarHBondContact CA-OE2 3.46Å
74	F	87.9	Confident	92	Very high	133 Å²	133	78.2 Å²	78.2	58%	0.583	39%	0.388	S	S	*	.	S	Bend	trans	62.1	-64.5	-173.2	-175.1	-110.6	0	0	0	114.8	Y97 E98	F74-Y97 WeakPolarHBondContact O-CA 3.46Å; F74-E98 PolarHBondContact N-OE2 2.81Å; F74-E98 PolarHBondContact O-N 2.98Å
75	V	91	Very high	92.3	Very high	53 Å²	53	76.3 Å²	76.3	32%	0.321	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	140.6	178	69.1	0	0	0	0	111.2	N73 Y95 F96 Y97	N73-V75 PolarHBondContact O-N 2.91Å; V75-Y95 HydrophobicContact CG2-CD1 3.74Å; V75-Y95 HydrophobicContact CG2-CG 4.41Å; V75-F96 CarbonylContact C-O 3.42Å; V75-F96 VanDerWaalsContact CA-O 3.32Å; V75-F96 WeakPolarHBondContact CA-O 3.24Å; V75-Y97 HydrophobicContact CB-CD1 4.04Å; V75-Y97 HydrophobicContact CB-CE1 3.97Å; V75-Y97 HydrophobicContact CG2-CD1 3.97Å; V75-Y97 HydrophobicContact CG2-CD2 4.26Å; V75-Y97 HydrophobicContact CG2-CE1 3.71Å; V75-Y97 HydrophobicContact CG2-CE2 4.01Å; V75-Y97 HydrophobicContact CG2-CG 4.25Å
76	Y	93.3	Very high	92.7	Very high	58 Å²	58	74.8 Å²	74.8	23%	0.227	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	124.3	172.1	-172.9	-80.4	0	0	0	110.1	N70 A78 Y95 F96 I129	N70-Y76 HydrophobicContact CB-CE2 3.98Å; N70-Y76 PolarHBondContact ND2-OH 3.23Å; N70-Y76 VanDerWaalsContact ND2-OH 3.17Å; Y76-A78 HydrophobicContact CD1-CB 4.2Å; Y76-A78 HydrophobicContact CE1-CB 3.97Å; Y76-Y95 WeakPolarHBondContact O-CA 3.34Å; Y76-F96 HydrophobicContact CD1-CD2 4.32Å; Y76-F96 PolarHBondContact N-O 3.21Å; Y76-F96 PolarHBondContact O-N 2.77Å; Y76-I129 HydrophobicContact CD1-CB 4.46Å; Y76-I129 HydrophobicContact CD1-CG1 3.98Å; Y76-I129 HydrophobicContact CD1-CG2 4.28Å; Y76-I129 HydrophobicContact CE1-CB 4.31Å; Y76-I129 HydrophobicContact CE1-CG1 4.33Å; Y76-I129 HydrophobicContact CE1-CG2 3.84Å; Y76-I129 HydrophobicContact CG-CG1 4.15Å
77	E	94.8	Very high	92.7	Very high	70 Å²	70	67.1 Å²	67.1	33%	0.327	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	114.6	172.8	-173.5	179.6	130.3	0	0	109.8	R79 Y95	E77-R79 IonicContact OE1-CZ 3.13Å; E77-R79 IonicContact OE1-NE 2.78Å; E77-R79 IonicContact OE1-NH1 2.75Å; E77-R79 PolarHBondContact OE1-NH1 3.08Å; E77-R79 IonicContact OE1-NH2 3.16Å; E77-R79 PolarHBondContact OE1-NH2 2.87Å; E77-Y95 HydrophobicContact CB-CD1 3.94Å; E77-Y95 HydrophobicContact CB-CE1 3.61Å; E77-Y95 HydrophobicContact CG-CD1 4.21Å; E77-Y95 HydrophobicContact CG-CE1 3.64Å; E77-Y95 VanDerWaalsContact OE2-CE1 3.24Å; E77-Y95 WeakPolarHBondContact OE2-CE1 3.08Å; E77-Y95 VanDerWaalsContact OE2-CZ 3.23Å; E77-Y95 PolarHBondContact OE2-OH 3.18Å
78	A	95.8	Very high	92.5	Very high	1 Å²	1	67.9 Å²	67.9	1%	0.008	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	133.1	171.5	0	0	0	0	0	110.7	Y76 K93 I94 F96 L136	Y76-A78 HydrophobicContact CD1-CB 4.2Å; Y76-A78 HydrophobicContact CE1-CB 3.97Å; A78-K93 CarbonylContact O-C 3.56Å; A78-K93 VanDerWaalsContact O-CA 3.3Å; A78-K93 WeakPolarHBondContact O-CA 3.28Å; A78-I94 PolarHBondContact N-O 3.1Å; A78-I94 PolarHBondContact O-N 3.31Å; A78-F96 HydrophobicContact CB-CD2 4.27Å; A78-F96 HydrophobicContact CB-CE2 3.68Å; A78-L136 HydrophobicContact CB-CD1 3.81Å; A78-L136 HydrophobicContact CB-CD2 4.07Å
79	R	96.7	Very high	92.3	Very high	155 Å²	155	69.2 Å²	69.2	59%	0.585	35%	0.353	S	S	*	.			trans	-102.9	113.5	161.5	-69.4	-172.7	175.7	78.8	7.9	107.7	E77 K93 N131	E77-R79 IonicContact OE1-CZ 3.13Å; E77-R79 IonicContact OE1-NE 2.78Å; E77-R79 IonicContact OE1-NH1 2.75Å; E77-R79 PolarHBondContact OE1-NH1 3.08Å; E77-R79 IonicContact OE1-NH2 3.16Å; E77-R79 PolarHBondContact OE1-NH2 2.87Å; R79-K93 HydrophobicContact CG-CB 4.39Å; R79-N131 PolarHBondContact O-ND2 2.74Å
80	P	96.4	Very high	92.5	Very high	22 Å²	22	66.1 Å²	66.1	14%	0.143	34%	0.341	C	S	.	.			trans	-55.2	139.3	174.9	-21.5	30.8	0	0	0	110.8	F82 F84 V91 I94 L136	P80-F82 VanDerWaalsContact C-N 3.26Å; P80-F82 HydrophobicContact CB-CE1 4.35Å; P80-F82 HydrophobicContact CB-CZ 4.47Å; P80-F84 HydrophobicContact CB-CD1 4.32Å; P80-F84 HydrophobicContact CB-CE1 3.79Å; P80-F84 HydrophobicContact CG-CD1 4.45Å; P80-F84 HydrophobicContact CG-CE1 3.54Å; P80-F84 HydrophobicContact CG-CZ 4.33Å; P80-V91 HydrophobicContact CG-CG1 4.3Å; P80-I94 HydrophobicContact CG-CD1 4.37Å; P80-L136 HydrophobicContact CB-CD2 4.34Å; P80-L136 HydrophobicContact CG-CD2 3.84Å
81	Q	95.4	Very high	92.7	Very high	119 Å²	119	62.7 Å²	62.7	56%	0.556	32%	0.323	S	S	*	.	S	Bend	trans	-86.1	-0.7	177.2	-58.1	-172.2	37.1	0	0	113.1	N131	Q81-N131 PolarHBondContact NE2-O 2.86Å
82	F	95.1	Very high	93	Very high	65 Å²	65	62.7 Å²	62.7	29%	0.285	32%	0.324	S	S	.	.	S	Bend	trans	-125.1	156	175.5	55.1	-82.6	0	0	0	109.5	P80 F84 K133 L136	P80-F82 VanDerWaalsContact C-N 3.26Å; P80-F82 HydrophobicContact CB-CE1 4.35Å; P80-F82 HydrophobicContact CB-CZ 4.47Å; F82-F84 HydrophobicContact CD2-CB 4.33Å; F82-F84 AromaticContact CD2-CD1 3.77Å; F82-F84 HydrophobicContact CD2-CD1 3.77Å; F82-F84 HydrophobicContact CD2-CG 4.41Å; F82-F84 HydrophobicContact CE2-CB 4.31Å; F82-F84 AromaticContact CE2-CD1 3.38Å; F82-F84 HydrophobicContact CE2-CD1 3.38Å; F82-F84 AromaticContact CE2-CE1 3.86Å; F82-F84 HydrophobicContact CE2-CE1 3.86Å; F82-F84 HydrophobicContact CE2-CG 4.02Å; F82-F84 HydrophobicContact CZ-CD1 4.23Å; F82-F84 HydrophobicContact CZ-CE1 4.28Å; F82-K133 WeakPolarHBondContact CB-O 3.48Å; F82-K133 WeakPolarHBondContact CD1-O 3.26Å; F82-L136 HydrophobicContact CE1-CB 4.01Å; F82-L136 HydrophobicContact CZ-CB 4.07Å
83	S	94	Very high	93.4	Very high	100 Å²	100	65.4 Å²	65.4	70%	0.699	34%	0.336	S	S	*	.			trans	-88.7	131.8	176.9	-60.7	0	0	0	0	110.4
84	F	93.4	Very high	93.8	Very high	62 Å²	62	60.7 Å²	60.7	27%	0.272	31%	0.311	S	S	.	.			trans	-153.2	166.1	170.7	74.3	-79.7	0	0	0	110.6	P80 F82 V91 I94	P80-F84 HydrophobicContact CB-CD1 4.32Å; P80-F84 HydrophobicContact CB-CE1 3.79Å; P80-F84 HydrophobicContact CG-CD1 4.45Å; P80-F84 HydrophobicContact CG-CE1 3.54Å; P80-F84 HydrophobicContact CG-CZ 4.33Å; F82-F84 HydrophobicContact CD2-CB 4.33Å; F82-F84 AromaticContact CD2-CD1 3.77Å; F82-F84 HydrophobicContact CD2-CD1 3.77Å; F82-F84 HydrophobicContact CD2-CG 4.41Å; F82-F84 HydrophobicContact CE2-CB 4.31Å; F82-F84 AromaticContact CE2-CD1 3.38Å; F82-F84 HydrophobicContact CE2-CD1 3.38Å; F82-F84 AromaticContact CE2-CE1 3.86Å; F82-F84 HydrophobicContact CE2-CE1 3.86Å; F82-F84 HydrophobicContact CE2-CG 4.02Å; F82-F84 HydrophobicContact CZ-CD1 4.23Å; F82-F84 HydrophobicContact CZ-CE1 4.28Å; F84-V91 HydrophobicContact CD1-CB 4.41Å; F84-V91 HydrophobicContact CD2-CB 4.48Å; F84-V91 HydrophobicContact CD2-CG2 4.05Å; F84-V91 HydrophobicContact CE1-CB 3.97Å; F84-V91 HydrophobicContact CE1-CG1 4.04Å; F84-V91 HydrophobicContact CE1-CG2 4.43Å; F84-V91 HydrophobicContact CE2-CB 4.03Å; F84-V91 HydrophobicContact CE2-CG1 4.37Å; F84-V91 HydrophobicContact CE2-CG2 3.57Å; F84-V91 HydrophobicContact CZ-CB 3.75Å; F84-V91 HydrophobicContact CZ-CG1 3.72Å; F84-V91 HydrophobicContact CZ-CG2 3.79Å; F84-V91 PolarHBondContact O-N 3.24Å; F84-I94 HydrophobicContact CZ-CD1 3.89Å
85	S	92.8	Very high	94.2	Very high	49 Å²	49	56.2 Å²	56.2	34%	0.343	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	150.9	179	-69.3	0	0	0	0	111.3	S89 E196	S85-S89 CarbonylContact C-O 3.55Å; S85-S89 WeakPolarHBondContact CA-O 3.45Å; S85-E196 VanDerWaalsContact CB-OE2 3.3Å; S85-E196 WeakPolarHBondContact CB-OE2 3.39Å
86	Y	93.2	Very high	94.3	Very high	13 Å²	13	54 Å²	54	5%	0.051	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	121.7	171.6	-172	-97.2	0	0	0	107.4	G88 S89 V106 I112 I114 I115 I164 Y165	Y86-G88 VanDerWaalsContact C-N 3.3Å; Y86-G88 PolarHBondContact O-N 2.97Å; Y86-S89 PolarHBondContact N-O 2.98Å; Y86-S89 PolarHBondContact O-N 2.85Å; Y86-V106 HydrophobicContact CD1-CB 4.07Å; Y86-V106 HydrophobicContact CD1-CG1 3.99Å; Y86-V106 HydrophobicContact CD1-CG2 4.3Å; Y86-V106 HydrophobicContact CE1-CB 4.35Å; Y86-V106 HydrophobicContact CE1-CG2 4.26Å; Y86-V106 HydrophobicContact CG-CB 4.41Å; Y86-V106 HydrophobicContact CG-CG1 3.94Å; Y86-V106 HydrophobicContact CG-CG2 4.45Å; Y86-I112 HydrophobicContact CD1-CB 4.35Å; Y86-I112 HydrophobicContact CD1-CG2 3.69Å; Y86-I112 VanDerWaalsContact O-CG2 3.23Å; Y86-I112 WeakPolarHBondContact O-CG2 3.48Å; Y86-I114 PolarHBondContact OH-O 2.83Å; Y86-I114 VanDerWaalsContact OH-O 3.13Å; Y86-I115 HydrophobicContact CE2-CD1 4.21Å; Y86-I115 HydrophobicContact CE2-CG1 4Å; Y86-I164 WeakPolarHBondContact OH-CB 3.31Å; Y86-Y165 WeakPolarHBondContact CE1-O 3.01Å; Y86-Y165 PolarHBondContact OH-N 3.17Å; Y86-Y165 PolarHBondContact OH-O 2.65Å
87	Y	89.5	Confident	94	Very high	11 Å²	11	54.6 Å²	54.6	4%	0.043	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.5	50.3	-173.3	-80.8	-97.8	0	0	0	112.5	Y51 S89 I164 I168 H177	Y51-Y87 HydrophobicContact CD2-CE2 4.49Å; Y51-Y87 HydrophobicContact CE2-CD1 4.33Å; Y51-Y87 AromaticContact CE2-CD2 3.76Å; Y51-Y87 HydrophobicContact CE2-CD2 3.76Å; Y51-Y87 HydrophobicContact CE2-CE1 4.3Å; Y51-Y87 AromaticContact CE2-CE2 3.76Å; Y51-Y87 HydrophobicContact CE2-CE2 3.76Å; Y51-Y87 HydrophobicContact CE2-CG 4.08Å; Y51-Y87 PolarHBondContact OH-N 2.03Å; Y87-S89 PolarHBondContact O-N 3.48Å; Y87-S89 VanDerWaalsContact O-N 3.12Å; Y87-I164 HydrophobicContact CE2-CD1 4.29Å; Y87-I168 HydrophobicContact CD1-CG2 3.83Å; Y87-I168 HydrophobicContact CE1-CG2 4.06Å; Y87-H177 HydrophobicContact CE1-CB 3.89Å; Y87-H177 AromaticContact CE1-ND1 3.48Å; Y87-H177 WeakPolarHBondContact CE1-ND1 3.46Å; Y87-H177 AromaticContact CZ-ND1 3.7Å; Y87-H177 PolarHBondContact OH-ND1 2.91Å; Y87-H177 PolarHBondContact OH-O 2.94Å
88	G	87.3	Confident	93.4	Very high	49 Å²	49	53.9 Å²	53.9	51%	0.505	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.9	4.3	-179.8	0	0	0	0	0	115.7	Y86 E196	Y86-G88 VanDerWaalsContact C-N 3.3Å; Y86-G88 PolarHBondContact O-N 2.97Å; G88-E196 WeakPolarHBondContact CA-OE1 3.42Å; G88-E196 PolarHBondContact N-OE1 2.85Å; G88-E196 VanDerWaalsContact N-OE1 3.08Å
89	S	90.9	Very high	91.8	Very high	51 Å²	51	56.3 Å²	56.3	36%	0.357	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	130.9	-179.4	-64.7	0	0	0	0	111.5	S85 Y86 Y87 V91	S85-S89 CarbonylContact C-O 3.55Å; S85-S89 WeakPolarHBondContact CA-O 3.45Å; Y86-S89 PolarHBondContact N-O 2.98Å; Y86-S89 PolarHBondContact O-N 2.85Å; Y87-S89 PolarHBondContact O-N 3.48Å; Y87-S89 VanDerWaalsContact O-N 3.12Å; S89-V91 PolarHBondContact O-N 3.13Å
90	H	94.9	Very high	89.9	Confident	96 Å²	96	56.9 Å²	56.9	44%	0.444	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	125	176.7	176.4	-79.5	0	0	0	111.7	G108	H90-G108 VanDerWaalsContact O-CA 3.28Å; H90-G108 WeakPolarHBondContact O-CA 3.26Å
91	V	96.7	Very high	88.2	Confident	4 Å²	4	64.7 Å²	64.7	2%	0.024	33%	0.328	C	S	.	.			trans	-82.4	128.1	-179.9	-178.7	0	0	0	0	110.5	P80 F84 S89 I94 V106 I112	P80-V91 HydrophobicContact CG-CG1 4.3Å; F84-V91 HydrophobicContact CD1-CB 4.41Å; F84-V91 HydrophobicContact CD2-CB 4.48Å; F84-V91 HydrophobicContact CD2-CG2 4.05Å; F84-V91 HydrophobicContact CE1-CB 3.97Å; F84-V91 HydrophobicContact CE1-CG1 4.04Å; F84-V91 HydrophobicContact CE1-CG2 4.43Å; F84-V91 HydrophobicContact CE2-CB 4.03Å; F84-V91 HydrophobicContact CE2-CG1 4.37Å; F84-V91 HydrophobicContact CE2-CG2 3.57Å; F84-V91 HydrophobicContact CZ-CB 3.75Å; F84-V91 HydrophobicContact CZ-CG1 3.72Å; F84-V91 HydrophobicContact CZ-CG2 3.79Å; F84-V91 PolarHBondContact O-N 3.24Å; S89-V91 PolarHBondContact O-N 3.13Å; V91-I94 HydrophobicContact CG1-CD1 4.17Å; V91-I94 HydrophobicContact CG1-CG1 3.94Å; V91-V106 HydrophobicContact CB-CG1 4.34Å; V91-V106 HydrophobicContact CG1-CG1 3.81Å; V91-V106 HydrophobicContact CG2-CG1 3.58Å; V91-I112 HydrophobicContact CG2-CD1 4.32Å
92	Q	97.8	Very high	86.5	Confident	96 Å²	96	59.2 Å²	59.2	45%	0.449	30%	0.303	S	S	.	.			trans	-106.9	-37.8	175.9	-66.9	-176	-0.6	0	0	112	F107 G108	Q92-F107 PolarHBondContact N-O 2.82Å; Q92-G108 PolarHBondContact OE1-O 3.49Å
93	K	97.1	Very high	85.7	Confident	58 Å²	58	57 Å²	57	25%	0.252	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	153.6	-178.9	64.9	-176.4	177.9	168.2	0	111.7	A78 R79 Y95 F107	A78-K93 CarbonylContact O-C 3.56Å; A78-K93 VanDerWaalsContact O-CA 3.3Å; A78-K93 WeakPolarHBondContact O-CA 3.28Å; R79-K93 HydrophobicContact CG-CB 4.39Å; K93-Y95 HydrophobicContact CD-CE2 3.82Å; K93-Y95 HydrophobicContact CG-CE2 4.24Å; K93-Y95 PolarHBondContact NZ-OH 3.44Å; K93-F107 HydrophobicContact CG-CB 3.74Å; K93-F107 HydrophobicContact CG-CG 4.49Å; K93-F107 PolarHBondContact N-O 3.29Å; K93-F107 VanDerWaalsContact N-O 3.11Å; K93-F107 PolarHBondContact O-N 3.01Å
94	I	96.7	Very high	85.6	Confident	9 Å²	9	52.4 Å²	52.4	5%	0.046	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	133.2	176.4	-67.3	168.8	0	0	0	108.3	A78 P80 F84 V91 F96 V104 Y105 V106 L136	A78-I94 PolarHBondContact N-O 3.1Å; A78-I94 PolarHBondContact O-N 3.31Å; P80-I94 HydrophobicContact CG-CD1 4.37Å; F84-I94 HydrophobicContact CZ-CD1 3.89Å; V91-I94 HydrophobicContact CG1-CD1 4.17Å; V91-I94 HydrophobicContact CG1-CG1 3.94Å; I94-F96 HydrophobicContact CB-CE2 4.1Å; I94-F96 HydrophobicContact CB-CZ 4.42Å; I94-F96 HydrophobicContact CG2-CD2 3.96Å; I94-F96 HydrophobicContact CG2-CE1 4.11Å; I94-F96 HydrophobicContact CG2-CE2 3.49Å; I94-F96 VanDerWaalsContact CG2-CE2 3.49Å; I94-F96 HydrophobicContact CG2-CG 4.46Å; I94-F96 HydrophobicContact CG2-CZ 3.57Å; I94-V104 HydrophobicContact CG2-CG1 3.21Å; I94-Y105 CarbonylContact C-O 3.47Å; I94-Y105 VanDerWaalsContact CA-O 3.31Å; I94-Y105 WeakPolarHBondContact CA-O 3.34Å; I94-V106 HydrophobicContact CG1-CG1 4.38Å; I94-V106 HydrophobicContact CG1-CG2 4.49Å; I94-L136 HydrophobicContact CD1-CD2 3.57Å
95	Y	94.5	Very high	85.6	Confident	40 Å²	40	52 Å²	52	16%	0.157	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	129.8	170.5	-69.3	-83.8	0	0	0	110.4	V75 Y76 E77 K93 V104 Y105 F107	V75-Y95 HydrophobicContact CG2-CD1 3.74Å; V75-Y95 HydrophobicContact CG2-CG 4.41Å; Y76-Y95 WeakPolarHBondContact O-CA 3.34Å; E77-Y95 HydrophobicContact CB-CD1 3.94Å; E77-Y95 HydrophobicContact CB-CE1 3.61Å; E77-Y95 HydrophobicContact CG-CD1 4.21Å; E77-Y95 HydrophobicContact CG-CE1 3.64Å; E77-Y95 VanDerWaalsContact OE2-CE1 3.24Å; E77-Y95 WeakPolarHBondContact OE2-CE1 3.08Å; E77-Y95 VanDerWaalsContact OE2-CZ 3.23Å; E77-Y95 PolarHBondContact OE2-OH 3.18Å; K93-Y95 HydrophobicContact CD-CE2 3.82Å; K93-Y95 HydrophobicContact CG-CE2 4.24Å; K93-Y95 PolarHBondContact NZ-OH 3.44Å; Y95-V104 CarbonylContact O-C 3.59Å; Y95-V104 WeakPolarHBondContact O-CA 3.43Å; Y95-Y105 PolarHBondContact N-O 2.93Å; Y95-Y105 PolarHBondContact O-N 3.34Å; Y95-F107 AromaticContact CD2-CD2 3.6Å; Y95-F107 HydrophobicContact CD2-CD2 3.6Å; Y95-F107 AromaticContact CD2-CE2 3.44Å; Y95-F107 HydrophobicContact CD2-CE2 3.44Å; Y95-F107 VanDerWaalsContact CD2-CE2 3.44Å; Y95-F107 HydrophobicContact CD2-CZ 4.42Å; Y95-F107 AromaticContact CE2-CD2 3.95Å; Y95-F107 HydrophobicContact CE2-CD2 3.95Å; Y95-F107 AromaticContact CE2-CE2 3.94Å; Y95-F107 HydrophobicContact CE2-CE2 3.94Å
96	F	93	Very high	85.8	Confident	7 Å²	7	49.7 Å²	49.7	3%	0.031	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	120	173.5	-60.4	-92.1	0	0	0	109.2	I72 V75 Y76 A78 I94 V104 I129 L136 V138	I72-F96 HydrophobicContact CD1-CB 3.53Å; I72-F96 HydrophobicContact CD1-CG 4.27Å; I72-F96 WeakPolarHBondContact CG2-O 3.45Å; V75-F96 CarbonylContact C-O 3.42Å; V75-F96 VanDerWaalsContact CA-O 3.32Å; V75-F96 WeakPolarHBondContact CA-O 3.24Å; Y76-F96 HydrophobicContact CD1-CD2 4.32Å; Y76-F96 PolarHBondContact N-O 3.21Å; Y76-F96 PolarHBondContact O-N 2.77Å; A78-F96 HydrophobicContact CB-CD2 4.27Å; A78-F96 HydrophobicContact CB-CE2 3.68Å; I94-F96 HydrophobicContact CB-CE2 4.1Å; I94-F96 HydrophobicContact CB-CZ 4.42Å; I94-F96 HydrophobicContact CG2-CD2 3.96Å; I94-F96 HydrophobicContact CG2-CE1 4.11Å; I94-F96 HydrophobicContact CG2-CE2 3.49Å; I94-F96 VanDerWaalsContact CG2-CE2 3.49Å; I94-F96 HydrophobicContact CG2-CG 4.46Å; I94-F96 HydrophobicContact CG2-CZ 3.57Å; F96-V104 HydrophobicContact CD1-CB 4.28Å; F96-V104 HydrophobicContact CD1-CG1 3.82Å; F96-V104 HydrophobicContact CD1-CG2 3.6Å; F96-V104 HydrophobicContact CE1-CB 4.36Å; F96-V104 HydrophobicContact CE1-CG1 3.57Å; F96-V104 HydrophobicContact CE1-CG2 3.85Å; F96-V104 HydrophobicContact CZ-CG1 4.14Å; F96-I129 HydrophobicContact CB-CD1 4.18Å; F96-I129 HydrophobicContact CD1-CD1 3.68Å; F96-I129 HydrophobicContact CD2-CD1 3.6Å; F96-I129 HydrophobicContact CD2-CG1 4.34Å; F96-I129 HydrophobicContact CE1-CD1 3.87Å; F96-I129 HydrophobicContact CE2-CD1 3.77Å; F96-I129 HydrophobicContact CG-CD1 3.56Å; F96-I129 HydrophobicContact CZ-CD1 3.91Å; F96-L136 HydrophobicContact CE2-CD1 4.27Å; F96-L136 HydrophobicContact CZ-CD1 4.3Å; F96-L136 HydrophobicContact CZ-CD2 4.45Å; F96-L136 HydrophobicContact CZ-CG 4.33Å; F96-V138 HydrophobicContact CD1-CB 3.83Å; F96-V138 HydrophobicContact CD1-CG1 4Å; F96-V138 HydrophobicContact CD1-CG2 4.09Å; F96-V138 HydrophobicContact CE1-CB 3.65Å; F96-V138 HydrophobicContact CE1-CG1 3.69Å; F96-V138 HydrophobicContact CE1-CG2 4.42Å
97	Y	88.4	Confident	85.9	Confident	70 Å²	70	51.3 Å²	51.3	28%	0.275	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	152.3	179.9	-73.2	-95.1	0	0	0	112.8	F74 V75 Y105	F74-Y97 WeakPolarHBondContact O-CA 3.46Å; V75-Y97 HydrophobicContact CB-CD1 4.04Å; V75-Y97 HydrophobicContact CB-CE1 3.97Å; V75-Y97 HydrophobicContact CG2-CD1 3.97Å; V75-Y97 HydrophobicContact CG2-CD2 4.26Å; V75-Y97 HydrophobicContact CG2-CE1 3.71Å; V75-Y97 HydrophobicContact CG2-CE2 4.01Å; V75-Y97 HydrophobicContact CG2-CG 4.25Å; Y97-Y105 AromaticContact CD2-CD2 3.57Å; Y97-Y105 HydrophobicContact CD2-CD2 3.57Å; Y97-Y105 AromaticContact CD2-CE2 3.74Å; Y97-Y105 HydrophobicContact CD2-CE2 3.74Å; Y97-Y105 AromaticContact CE2-CD2 3.44Å; Y97-Y105 HydrophobicContact CE2-CD2 3.44Å; Y97-Y105 VanDerWaalsContact CE2-CD2 3.44Å; Y97-Y105 AromaticContact CE2-CE2 3.74Å; Y97-Y105 HydrophobicContact CE2-CE2 3.74Å; Y97-Y105 HydrophobicContact CE2-CG 4.39Å
98	E	81	Confident	86.1	Confident	54 Å²	54	51.1 Å²	51.1	25%	0.252	25%	0.251	S	S	.	.			trans	-103.3	-8.8	178.6	-158.6	-165.9	-174	0	0	113.8	I72 N73 F74 F125	I72-E98 HydrophobicContact CG2-CB 4.22Å; I72-E98 VanDerWaalsContact O-CD 3.24Å; N73-E98 WeakPolarHBondContact CA-OE2 3.46Å; F74-E98 PolarHBondContact N-OE2 2.81Å; F74-E98 PolarHBondContact O-N 2.98Å; E98-F125 VanDerWaalsContact C-CZ 3.41Å; E98-F125 WeakPolarHBondContact O-CE1 3.26Å; E98-F125 WeakPolarHBondContact O-CZ 3.24Å
99	S	62.6	Low	86.3	Confident	53 Å²	53	60.3 Å²	60.3	37%	0.371	27%	0.271	S	S	.	.	S	Bend	trans	-122.3	117	-170.3	65	0	0	0	0	113.8	R101	S99-R101 PolarHBondContact O-N 3.4Å
100	H	56.6	Low	86.4	Confident	167 Å²	167	61.9 Å²	61.9	77%	0.773	28%	0.281	S	S	*	.	S	Bend	trans	46.2	0.8	160.7	-60.7	-35.6	0	0	0	119.5
101	R	61.2	Low	86.3	Confident	185 Å²	185	60.5 Å²	60.5	70%	0.698	27%	0.273	S	S	*	.	S	Bend	trans	-145.6	61	-178.8	-62.9	-174.1	-176.5	-173.7	1.1	105.5	S99 D103	S99-R101 PolarHBondContact O-N 3.4Å; R101-D103 WeakPolarHBondContact O-CB 3.3Å; R101-D103 PolarHBondContact O-N 3.06Å
102	D	60.6	Low	86.1	Confident	5 Å²	5	60.6 Å²	60.6	3%	0.027	27%	0.273	C	S	.	.			trans	-68.2	53.7	-165.6	-59.6	-30.6	0	0	0	112.9	Y122 F125 R140	D102-Y122 WeakPolarHBondContact OD2-CE1 3.19Å; D102-Y122 PolarHBondContact OD2-OH 2.79Å; D102-F125 WeakPolarHBondContact OD1-CZ 3.15Å; D102-R140 PolarHBondContact O-NH1 3.41Å; D102-R140 PolarHBondContact O-NH2 3.16Å
103	D	77.5	Confident	85.9	Confident	17 Å²	17	56 Å²	56	9%	0.091	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	124.2	-169.3	-62.1	-18.8	0	0	0	106.8	R101 Y105 I114 Y116	R101-D103 WeakPolarHBondContact O-CB 3.3Å; R101-D103 PolarHBondContact O-N 3.06Å; D103-Y105 HydrophobicContact CB-CD2 3.79Å; D103-Y105 HydrophobicContact CB-CE1 4.45Å; D103-Y105 HydrophobicContact CB-CE2 3.21Å; D103-Y105 WeakPolarHBondContact O-CD2 3.09Å; D103-Y105 PolarHBondContact O-N 3.38Å; D103-Y105 PolarHBondContact OD2-OH 3.11Å; D103-I114 HydrophobicContact CB-CG2 3.65Å; D103-Y116 WeakPolarHBondContact OD1-CD1 3.27Å; D103-Y116 WeakPolarHBondContact OD1-CE1 3.23Å
104	V	91.7	Very high	85.7	Confident	5 Å²	5	53.8 Å²	53.8	3%	0.03	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	105.5	167.7	178.9	0	0	0	0	106.2	I94 Y95 F96 I114 I115	I94-V104 HydrophobicContact CG2-CG1 3.21Å; Y95-V104 CarbonylContact O-C 3.59Å; Y95-V104 WeakPolarHBondContact O-CA 3.43Å; F96-V104 HydrophobicContact CD1-CB 4.28Å; F96-V104 HydrophobicContact CD1-CG1 3.82Å; F96-V104 HydrophobicContact CD1-CG2 3.6Å; F96-V104 HydrophobicContact CE1-CB 4.36Å; F96-V104 HydrophobicContact CE1-CG1 3.57Å; F96-V104 HydrophobicContact CE1-CG2 3.85Å; F96-V104 HydrophobicContact CZ-CG1 4.14Å; V104-I114 CarbonylContact O-C 3.49Å; V104-I114 VanDerWaalsContact O-CA 3.32Å; V104-I114 WeakPolarHBondContact O-CA 3.05Å; V104-I115 HydrophobicContact CB-CB 4.04Å; V104-I115 HydrophobicContact CG1-CD1 4.43Å; V104-I115 PolarHBondContact N-O 3.36Å; V104-I115 PolarHBondContact O-N 2.81Å
105	Y	94.1	Very high	85.6	Confident	53 Å²	53	55.3 Å²	55.3	21%	0.208	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	128.7	-178.4	-67.2	-99.3	0	0	0	110.3	I94 Y95 Y97 D103 F107 Y111 I114	I94-Y105 CarbonylContact C-O 3.47Å; I94-Y105 VanDerWaalsContact CA-O 3.31Å; I94-Y105 WeakPolarHBondContact CA-O 3.34Å; Y95-Y105 PolarHBondContact N-O 2.93Å; Y95-Y105 PolarHBondContact O-N 3.34Å; Y97-Y105 AromaticContact CD2-CD2 3.57Å; Y97-Y105 HydrophobicContact CD2-CD2 3.57Å; Y97-Y105 AromaticContact CD2-CE2 3.74Å; Y97-Y105 HydrophobicContact CD2-CE2 3.74Å; Y97-Y105 AromaticContact CE2-CD2 3.44Å; Y97-Y105 HydrophobicContact CE2-CD2 3.44Å; Y97-Y105 VanDerWaalsContact CE2-CD2 3.44Å; Y97-Y105 AromaticContact CE2-CE2 3.74Å; Y97-Y105 HydrophobicContact CE2-CE2 3.74Å; Y97-Y105 HydrophobicContact CE2-CG 4.39Å; D103-Y105 HydrophobicContact CB-CD2 3.79Å; D103-Y105 HydrophobicContact CB-CE1 4.45Å; D103-Y105 HydrophobicContact CB-CE2 3.21Å; D103-Y105 WeakPolarHBondContact O-CD2 3.09Å; D103-Y105 PolarHBondContact O-N 3.38Å; D103-Y105 PolarHBondContact OD2-OH 3.11Å; Y105-F107 VanDerWaalsContact CB-CE2 3.42Å; Y105-F107 HydrophobicContact CG-CE2 4.4Å; Y105-Y111 HydrophobicContact CD1-CD2 4.41Å; Y105-Y111 AromaticContact CD1-CE2 3.89Å; Y105-Y111 HydrophobicContact CD1-CE2 3.89Å; Y105-I114 HydrophobicContact CD1-CD1 3.98Å; Y105-I114 HydrophobicContact CD1-CG1 3.58Å; Y105-I114 HydrophobicContact CE1-CD1 3.54Å; Y105-I114 HydrophobicContact CE1-CG1 3.67Å; Y105-I114 HydrophobicContact CG-CG1 4.24Å
106	V	95.7	Very high	85.4	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.006	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	127.6	-176.7	-171	0	0	0	0	109.5	Y86 V91 I94 I112 G113 I115	Y86-V106 HydrophobicContact CD1-CB 4.07Å; Y86-V106 HydrophobicContact CD1-CG1 3.99Å; Y86-V106 HydrophobicContact CD1-CG2 4.3Å; Y86-V106 HydrophobicContact CE1-CB 4.35Å; Y86-V106 HydrophobicContact CE1-CG2 4.26Å; Y86-V106 HydrophobicContact CG-CB 4.41Å; Y86-V106 HydrophobicContact CG-CG1 3.94Å; Y86-V106 HydrophobicContact CG-CG2 4.45Å; V91-V106 HydrophobicContact CB-CG1 4.34Å; V91-V106 HydrophobicContact CG1-CG1 3.81Å; V91-V106 HydrophobicContact CG2-CG1 3.58Å; I94-V106 HydrophobicContact CG1-CG1 4.38Å; I94-V106 HydrophobicContact CG1-CG2 4.49Å; V106-I112 HydrophobicContact CG1-CD1 4.35Å; V106-I112 PolarHBondContact O-N 2.85Å; V106-G113 PolarHBondContact N-O 2.84Å; V106-G113 PolarHBondContact O-N 3.32Å; V106-I115 HydrophobicContact CG2-CD1 4.27Å; V106-I115 HydrophobicContact CG2-CG1 4.3Å
107	F	96.1	Very high	85.1	Confident	46 Å²	46	58.1 Å²	58.1	20%	0.202	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	137.4	-177.9	-67	-96.1	0	0	0	111.7	Q92 K93 Y95 Y105 Y111	Q92-F107 PolarHBondContact N-O 2.82Å; K93-F107 HydrophobicContact CG-CB 3.74Å; K93-F107 HydrophobicContact CG-CG 4.49Å; K93-F107 PolarHBondContact N-O 3.29Å; K93-F107 VanDerWaalsContact N-O 3.11Å; K93-F107 PolarHBondContact O-N 3.01Å; Y95-F107 AromaticContact CD2-CD2 3.6Å; Y95-F107 HydrophobicContact CD2-CD2 3.6Å; Y95-F107 AromaticContact CD2-CE2 3.44Å; Y95-F107 HydrophobicContact CD2-CE2 3.44Å; Y95-F107 VanDerWaalsContact CD2-CE2 3.44Å; Y95-F107 HydrophobicContact CD2-CZ 4.42Å; Y95-F107 AromaticContact CE2-CD2 3.95Å; Y95-F107 HydrophobicContact CE2-CD2 3.95Å; Y95-F107 AromaticContact CE2-CE2 3.94Å; Y95-F107 HydrophobicContact CE2-CE2 3.94Å; Y105-F107 VanDerWaalsContact CB-CE2 3.42Å; Y105-F107 HydrophobicContact CG-CE2 4.4Å; F107-Y111 VanDerWaalsContact CD1-CA 3.5Å; F107-Y111 HydrophobicContact CE1-CD2 4.12Å; F107-Y111 HydrophobicContact CE1-CG 4.46Å; F107-Y111 HydrophobicContact CZ-CD2 4.15Å
108	G	94.8	Very high	84.8	Confident	7 Å²	7	57.7 Å²	57.7	7%	0.072	26%	0.264	C	S	.	.	S	Bend	trans	-100.4	-125	160.6	0	0	0	0	0	108.2	H90 Q92 S110	H90-G108 VanDerWaalsContact O-CA 3.28Å; H90-G108 WeakPolarHBondContact O-CA 3.26Å; Q92-G108 PolarHBondContact OE1-O 3.49Å; G108-S110 VanDerWaalsContact C-N 3.26Å; G108-S110 PolarHBondContact N-O 2.93Å
109	R	91.5	Very high	84.8	Confident	243 Å²	243	56.2 Å²	56.2	92%	0.917	26%	0.257	S	S	*	.	S	Bend	trans	-64.7	-33.8	165.8	-66.9	-174.7	-178.2	177.9	0.9	112.4
110	S	91.9	Very high	85.7	Confident	83 Å²	83	58.1 Å²	58.1	58%	0.58	26%	0.259	S	S	*	.	S	Bend	trans	-129.1	176.6	175.3	61.5	0	0	0	0	109.7	G108 I112	G108-S110 VanDerWaalsContact C-N 3.26Å; G108-S110 PolarHBondContact N-O 2.93Å; S110-I112 PolarHBondContact O-N 3.36Å
111	Y	92.5	Very high	86.7	Confident	68 Å²	68	55.7 Å²	55.7	27%	0.267	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54	133.1	169.1	172.7	-106.3	0	0	0	110.9	Y105 F107 G113 I114 Y165 L167	Y105-Y111 HydrophobicContact CD1-CD2 4.41Å; Y105-Y111 AromaticContact CD1-CE2 3.89Å; Y105-Y111 HydrophobicContact CD1-CE2 3.89Å; F107-Y111 VanDerWaalsContact CD1-CA 3.5Å; F107-Y111 HydrophobicContact CE1-CD2 4.12Å; F107-Y111 HydrophobicContact CE1-CG 4.46Å; F107-Y111 HydrophobicContact CZ-CD2 4.15Å; Y111-G113 VanDerWaalsContact CE2-O 3.25Å; Y111-G113 WeakPolarHBondContact CE2-O 3.48Å; Y111-G113 WeakPolarHBondContact OH-CA 3.48Å; Y111-I114 HydrophobicContact CE2-CD1 4.29Å; Y111-I114 HydrophobicContact CE2-CG1 3.87Å; Y111-I114 WeakPolarHBondContact OH-CD1 3.34Å; Y111-I114 WeakPolarHBondContact OH-CG1 3.27Å; Y111-Y165 HydrophobicContact CE1-CE1 4.46Å; Y111-Y165 VanDerWaalsContact OH-CE1 3.26Å; Y111-Y165 WeakPolarHBondContact OH-CE1 3.46Å; Y111-L167 HydrophobicContact CD1-CD1 4.01Å; Y111-L167 HydrophobicContact CE1-CD1 4.26Å; Y111-L167 HydrophobicContact CE1-CG 4.42Å
112	I	93.1	Very high	87.6	Confident	6 Å²	6	49 Å²	49	3%	0.031	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	-46.9	177.6	-55.1	171	0	0	0	110.3	Y86 V91 V106 S110 L167	Y86-I112 HydrophobicContact CD1-CB 4.35Å; Y86-I112 HydrophobicContact CD1-CG2 3.69Å; Y86-I112 VanDerWaalsContact O-CG2 3.23Å; Y86-I112 WeakPolarHBondContact O-CG2 3.48Å; V91-I112 HydrophobicContact CG2-CD1 4.32Å; V106-I112 HydrophobicContact CG1-CD1 4.35Å; V106-I112 PolarHBondContact O-N 2.85Å; S110-I112 PolarHBondContact O-N 3.36Å; I112-L167 PolarHBondContact O-N 2.94Å; I112-L167 VanDerWaalsContact O-N 3.1Å
113	G	93.5	Very high	88.5	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.2	-169.8	-175.3	0	0	0	0	0	114.6	V106 Y111 Y165	V106-G113 PolarHBondContact N-O 2.84Å; V106-G113 PolarHBondContact O-N 3.32Å; Y111-G113 VanDerWaalsContact CE2-O 3.25Å; Y111-G113 WeakPolarHBondContact CE2-O 3.48Å; Y111-G113 WeakPolarHBondContact OH-CA 3.48Å; G113-Y165 CarbonylContact C-O 3.52Å; G113-Y165 VanDerWaalsContact CA-O 3.22Å; G113-Y165 WeakPolarHBondContact CA-O 3.38Å
114	I	93.6	Very high	88.7	Confident	10 Å²	10	62.1 Å²	62.1	5%	0.051	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	139.7	-173.7	-65.6	157.6	0	0	0	109.6	Y86 D103 V104 Y105 Y111 Y116 Y165	Y86-I114 PolarHBondContact OH-O 2.83Å; Y86-I114 VanDerWaalsContact OH-O 3.13Å; D103-I114 HydrophobicContact CB-CG2 3.65Å; V104-I114 CarbonylContact O-C 3.49Å; V104-I114 VanDerWaalsContact O-CA 3.32Å; V104-I114 WeakPolarHBondContact O-CA 3.05Å; Y105-I114 HydrophobicContact CD1-CD1 3.98Å; Y105-I114 HydrophobicContact CD1-CG1 3.58Å; Y105-I114 HydrophobicContact CE1-CD1 3.54Å; Y105-I114 HydrophobicContact CE1-CG1 3.67Å; Y105-I114 HydrophobicContact CG-CG1 4.24Å; Y111-I114 HydrophobicContact CE2-CD1 4.29Å; Y111-I114 HydrophobicContact CE2-CG1 3.87Å; Y111-I114 WeakPolarHBondContact OH-CD1 3.34Å; Y111-I114 WeakPolarHBondContact OH-CG1 3.27Å; I114-Y116 HydrophobicContact CB-CD2 4.3Å; I114-Y116 HydrophobicContact CB-CE2 3.74Å; I114-Y116 WeakPolarHBondContact CD1-OH 3.45Å; I114-Y116 HydrophobicContact CG2-CD1 4Å; I114-Y116 HydrophobicContact CG2-CD2 3.74Å; I114-Y116 HydrophobicContact CG2-CE1 3.73Å; I114-Y116 HydrophobicContact CG2-CE2 3.49Å; I114-Y116 VanDerWaalsContact CG2-CE2 3.49Å; I114-Y116 HydrophobicContact CG2-CG 4.02Å; I114-Y116 VanDerWaalsContact CG2-CZ 3.48Å; I114-Y165 HydrophobicContact CB-CD1 4.38Å; I114-Y165 PolarHBondContact N-O 3.49Å; I114-Y165 WeakPolarHBondContact O-CA 3.5Å; I114-Y165 WeakPolarHBondContact O-CB 3.28Å; I114-Y165 PolarHBondContact O-N 2.73Å
115	I	93.4	Very high	88.5	Confident	42 Å²	42	62.6 Å²	62.6	22%	0.215	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	121.3	164.4	-51	166.7	0	0	0	107.8	Y86 V104 V106 N117 I164	Y86-I115 HydrophobicContact CE2-CD1 4.21Å; Y86-I115 HydrophobicContact CE2-CG1 4Å; V104-I115 HydrophobicContact CB-CB 4.04Å; V104-I115 HydrophobicContact CG1-CD1 4.43Å; V104-I115 PolarHBondContact N-O 3.36Å; V104-I115 PolarHBondContact O-N 2.81Å; V106-I115 HydrophobicContact CG2-CD1 4.27Å; V106-I115 HydrophobicContact CG2-CG1 4.3Å; I115-N117 WeakPolarHBondContact CG2-ND2 3.49Å; I115-I164 HydrophobicContact CG1-CG2 4.2Å; I115-I164 HydrophobicContact CG2-CG2 4.13Å
116	Y	90	Very high	88.2	Confident	42 Å²	42	62.5 Å²	62.5	17%	0.165	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	123.4	177.4	-63.2	-86.4	0	0	0	109	D103 I114 S162 K163 Y165	D103-Y116 WeakPolarHBondContact OD1-CD1 3.27Å; D103-Y116 WeakPolarHBondContact OD1-CE1 3.23Å; I114-Y116 HydrophobicContact CB-CD2 4.3Å; I114-Y116 HydrophobicContact CB-CE2 3.74Å; I114-Y116 WeakPolarHBondContact CD1-OH 3.45Å; I114-Y116 HydrophobicContact CG2-CD1 4Å; I114-Y116 HydrophobicContact CG2-CD2 3.74Å; I114-Y116 HydrophobicContact CG2-CE1 3.73Å; I114-Y116 HydrophobicContact CG2-CE2 3.49Å; I114-Y116 VanDerWaalsContact CG2-CE2 3.49Å; I114-Y116 HydrophobicContact CG2-CG 4.02Å; I114-Y116 VanDerWaalsContact CG2-CZ 3.48Å; Y116-S162 VanDerWaalsContact O-CA 3.28Å; Y116-S162 WeakPolarHBondContact O-CA 3.25Å; Y116-K163 HydrophobicContact CD2-CD 4.08Å; Y116-K163 HydrophobicContact CD2-CG 3.66Å; Y116-K163 HydrophobicContact CG-CG 4Å; Y116-K163 PolarHBondContact N-O 3.23Å; Y116-K163 PolarHBondContact O-N 2.98Å; Y116-Y165 HydrophobicContact CE2-CD2 4.48Å; Y116-Y165 HydrophobicContact CE2-CG 4.16Å
117	N	87.2	Confident	88	Confident	63 Å²	63	62.5 Å²	62.5	34%	0.337	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	83.5	169.9	-72.5	-64	0	0	0	107.5	I115 R140 S162	I115-N117 WeakPolarHBondContact CG2-ND2 3.49Å; N117-R140 PolarHBondContact O-NH1 2.81Å; N117-S162 PolarHBondContact OD1-OG 2.8Å
118	Y	81.9	Confident	87.8	Confident	62 Å²	62	65.2 Å²	65.2	24%	0.243	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	153	-175.3	83.3	-95.5	0	0	0	111.7	K120 Q161	Y118-K120 HydrophobicContact CD2-CG 4.4Å; Y118-K120 HydrophobicContact CE2-CG 3.72Å; Y118-Q161 HydrophobicContact CD1-CB 4.02Å; Y118-Q161 HydrophobicContact CD1-CG 4.49Å; Y118-Q161 HydrophobicContact CE1-CB 3.51Å; Y118-Q161 HydrophobicContact CE1-CG 3.83Å; Y118-Q161 HydrophobicContact CE2-CB 4.34Å; Y118-Q161 PolarHBondContact N-O 2.86Å; Y118-Q161 PolarHBondContact O-N 2.62Å; Y118-Q161 VanDerWaalsContact O-O 3.12Å; Y118-Q161 PolarHBondContact OH-OE1 2.85Å
119	M	81.2	Confident	87.8	Confident	23 Å²	23	65 Å²	65	11%	0.113	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	138.1	173	-172	-176.2	-68	0	0	107.4	Y122 F142 L144 I155 D159 L160	M119-Y122 WeakPolarHBondContact O-CD1 3.22Å; M119-Y122 WeakPolarHBondContact O-CE1 3.49Å; M119-F142 HydrophobicContact CB-CD1 4.26Å; M119-F142 HydrophobicContact CB-CE1 4.29Å; M119-F142 HydrophobicContact CE-CB 4.45Å; M119-F142 HydrophobicContact CE-CD2 4.29Å; M119-F142 HydrophobicContact CE-CG 4.42Å; M119-F142 HydrophobicContact SD-CB 4.26Å; M119-F142 HydrophobicContact SD-CG 4.45Å; M119-L144 HydrophobicContact SD-CD2 3.54Å; M119-L144 VanDerWaalsContact SD-CD2 3.54Å; M119-L144 HydrophobicContact SD-CG 4.43Å; M119-I155 HydrophobicContact CE-CD1 3.76Å; M119-I155 HydrophobicContact SD-CD1 4.31Å; M119-D159 CarbonylContact C-O 3.45Å; M119-D159 VanDerWaalsContact CA-O 3.26Å; M119-D159 WeakPolarHBondContact CA-O 3.47Å; M119-L160 HydrophobicContact CB-CD2 4.49Å; M119-L160 HydrophobicContact CE-CD2 3.82Å; M119-L160 HydrophobicContact CG-CD2 4.07Å
120	K	80.9	Confident	87.9	Confident	93 Å²	93	53.7 Å²	53.7	40%	0.404	25%	0.249	S	C	.	.	S	Bend	trans	-77	160.5	170.5	-63.2	-178.9	-174.5	155	0	109.7	Y118 Y122 S158 D159	Y118-K120 HydrophobicContact CD2-CG 4.4Å; Y118-K120 HydrophobicContact CE2-CG 3.72Å; K120-Y122 VanDerWaalsContact C-N 3.3Å; K120-Y122 PolarHBondContact O-N 2.86Å; K120-S158 PolarHBondContact NZ-O 3.05Å; K120-S158 VanDerWaalsContact NZ-O 3.14Å; K120-D159 HydrophobicContact CB-CB 3.93Å; K120-D159 PolarHBondContact N-O 3.48Å
121	N	78.2	Confident	88	Confident	116 Å²	116	51.6 Å²	51.6	62%	0.62	23%	0.232	S	C	*	.	S	Bend	trans	61.1	28.8	169.4	-50.7	-39	0	0	0	115.3	D159	N121-D159 PolarHBondContact ND2-OD2 2.87Å; N121-D159 VanDerWaalsContact ND2-OD2 3.15Å
122	Y	80.1	Confident	87.9	Confident	44 Å²	44	52.9 Å²	52.9	17%	0.173	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	151	168.2	66.2	-102.3	0	0	0	111.4	D102 M119 K120 F125 F142	D102-Y122 WeakPolarHBondContact OD2-CE1 3.19Å; D102-Y122 PolarHBondContact OD2-OH 2.79Å; M119-Y122 WeakPolarHBondContact O-CD1 3.22Å; M119-Y122 WeakPolarHBondContact O-CE1 3.49Å; K120-Y122 VanDerWaalsContact C-N 3.3Å; K120-Y122 PolarHBondContact O-N 2.86Å; Y122-F125 AromaticContact CD2-CD1 3.91Å; Y122-F125 HydrophobicContact CD2-CD1 3.91Å; Y122-F125 HydrophobicContact CE1-CD1 4.4Å; Y122-F125 AromaticContact CE2-CD1 3.34Å; Y122-F125 HydrophobicContact CE2-CD1 3.34Å; Y122-F125 AromaticContact CE2-CE1 3.74Å; Y122-F125 HydrophobicContact CE2-CE1 3.74Å; Y122-F125 HydrophobicContact CE2-CG 4.46Å; Y122-F125 AromaticContact CZ-CD1 3.6Å; Y122-F125 AromaticContact CZ-CE1 3.67Å; Y122-F125 VanDerWaalsContact OH-CE1 3.27Å; Y122-F125 WeakPolarHBondContact OH-CE1 3.49Å; Y122-F142 AromaticContact CD1-CD1 3.87Å; Y122-F142 HydrophobicContact CD1-CD1 3.87Å; Y122-F142 HydrophobicContact CD1-CE1 4.04Å; Y122-F142 HydrophobicContact CE1-CE1 4.28Å; Y122-F142 HydrophobicContact CG-CD1 4.02Å
123	K	80.3	Confident	88	Confident	160 Å²	160	59.7 Å²	59.7	70%	0.696	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.6	-44.5	172.9	178.5	175.2	177.3	-179.4	0	111.6	S143	K123-S143 PolarHBondContact N-O 3.38Å
124	K	82	Confident	87.8	Confident	137 Å²	137	67.2 Å²	67.2	60%	0.596	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149	152.8	-180	-175.5	176.4	178.4	-176.5	0	108.4	S143	K124-S143 PolarHBondContact N-O 2.78Å; K124-S143 PolarHBondContact O-N 2.78Å
125	F	86	Confident	87.8	Confident	16 Å²	16	70.2 Å²	70.2	7%	0.07	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	162.9	163.9	73.4	-76.7	0	0	0	110.2	E98 D102 Y122 S127 N141 F142	E98-F125 VanDerWaalsContact C-CZ 3.41Å; E98-F125 WeakPolarHBondContact O-CE1 3.26Å; E98-F125 WeakPolarHBondContact O-CZ 3.24Å; D102-F125 WeakPolarHBondContact OD1-CZ 3.15Å; Y122-F125 AromaticContact CD2-CD1 3.91Å; Y122-F125 HydrophobicContact CD2-CD1 3.91Å; Y122-F125 HydrophobicContact CE1-CD1 4.4Å; Y122-F125 AromaticContact CE2-CD1 3.34Å; Y122-F125 HydrophobicContact CE2-CD1 3.34Å; Y122-F125 AromaticContact CE2-CE1 3.74Å; Y122-F125 HydrophobicContact CE2-CE1 3.74Å; Y122-F125 HydrophobicContact CE2-CG 4.46Å; Y122-F125 AromaticContact CZ-CD1 3.6Å; Y122-F125 AromaticContact CZ-CE1 3.67Å; Y122-F125 VanDerWaalsContact OH-CE1 3.27Å; Y122-F125 WeakPolarHBondContact OH-CE1 3.49Å; F125-S127 VanDerWaalsContact CE2-OG 3.32Å; F125-S127 WeakPolarHBondContact CE2-OG 3.39Å; F125-N141 CarbonylContact C-O 3.43Å; F125-N141 WeakPolarHBondContact CA-O 3.37Å; F125-N141 VanDerWaalsContact CB-O 3.23Å; F125-N141 WeakPolarHBondContact CB-O 3.41Å; F125-F142 HydrophobicContact CB-CD1 3.62Å; F125-F142 HydrophobicContact CB-CE1 3.97Å; F125-F142 HydrophobicContact CB-CG 4.2Å; F125-F142 HydrophobicContact CD2-CE1 4.48Å; F125-F142 HydrophobicContact CG-CD1 4.28Å; F125-F142 HydrophobicContact CG-CE1 4.17Å
126	E	88.1	Confident	87.8	Confident	51 Å²	51	69.6 Å²	69.6	24%	0.238	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	133.9	171.7	-178.8	178.3	152.5	0	0	108.6	K71 R128 R140 N141	K71-E126 HydrophobicContact CG-CG 4.46Å; E126-R128 IonicContact OE1-CZ 3.29Å; E126-R128 VanDerWaalsContact OE1-CZ 3.26Å; E126-R128 IonicContact OE1-NE 2.76Å; E126-R128 PolarHBondContact OE1-NE 2.82Å; E126-R128 IonicContact OE1-NH2 2.87Å; E126-R128 PolarHBondContact OE1-NH2 3.29Å; E126-R140 WeakPolarHBondContact O-CA 3.46Å; E126-N141 PolarHBondContact N-O 2.96Å; E126-N141 PolarHBondContact O-N 2.75Å
127	S	90.8	Very high	88	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	137.5	176	-60.4	0	0	0	0	111.2	I72 F125 K139 R140	I72-S127 VanDerWaalsContact CD1-CB 3.43Å; I72-S127 PolarHBondContact N-O 3.12Å; F125-S127 VanDerWaalsContact CE2-OG 3.32Å; F125-S127 WeakPolarHBondContact CE2-OG 3.39Å; S127-K139 CarbonylContact C-O 3.56Å; S127-K139 VanDerWaalsContact CA-O 3.26Å; S127-K139 WeakPolarHBondContact CA-O 3.3Å; S127-R140 WeakPolarHBondContact OG-CG 3.1Å
128	R	93.1	Very high	88.2	Confident	104 Å²	104	67.4 Å²	67.4	39%	0.392	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	144.6	174.3	-62	-167	-176.2	-168.6	-2.2	111.6	F68 N70 E126 V138 K139	F68-R128 HydrophobicContact CB-CB 3.77Å; F68-R128 WeakPolarHBondContact CD1-O 3.5Å; F68-R128 WeakPolarHBondContact O-CD 3.37Å; N70-R128 CarbonylContact O-C 3.57Å; N70-R128 VanDerWaalsContact O-CA 3.22Å; N70-R128 WeakPolarHBondContact O-CA 3.32Å; E126-R128 IonicContact OE1-CZ 3.29Å; E126-R128 VanDerWaalsContact OE1-CZ 3.26Å; E126-R128 IonicContact OE1-NE 2.76Å; E126-R128 PolarHBondContact OE1-NE 2.82Å; E126-R128 IonicContact OE1-NH2 2.87Å; E126-R128 PolarHBondContact OE1-NH2 3.29Å; R128-V138 CarbonylContact O-C 3.54Å; R128-V138 WeakPolarHBondContact O-CA 3.19Å; R128-K139 PolarHBondContact N-O 2.88Å; R128-K139 PolarHBondContact O-N 3.13Å
129	I	93.8	Very high	88.6	Confident	1 Å²	1	67 Å²	67	1%	0.005	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	143.7	-175.8	-61.6	-63.7	0	0	0	111.3	K69 N70 I72 Y76 F96 N131 L136 G137 V138	K69-I129 PolarHBondContact N-O 3.29Å; N70-I129 HydrophobicContact CB-CB 4.38Å; N70-I129 PolarHBondContact N-O 3.43Å; N70-I129 PolarHBondContact O-N 3Å; I72-I129 HydrophobicContact CD1-CD1 3.56Å; I72-I129 HydrophobicContact CD1-CG1 3.54Å; I72-I129 HydrophobicContact CG1-CD1 4.26Å; I72-I129 HydrophobicContact CG1-CG1 3.65Å; Y76-I129 HydrophobicContact CD1-CB 4.46Å; Y76-I129 HydrophobicContact CD1-CG1 3.98Å; Y76-I129 HydrophobicContact CD1-CG2 4.28Å; Y76-I129 HydrophobicContact CE1-CB 4.31Å; Y76-I129 HydrophobicContact CE1-CG1 4.33Å; Y76-I129 HydrophobicContact CE1-CG2 3.84Å; Y76-I129 HydrophobicContact CG-CG1 4.15Å; F96-I129 HydrophobicContact CB-CD1 4.18Å; F96-I129 HydrophobicContact CD1-CD1 3.68Å; F96-I129 HydrophobicContact CD2-CD1 3.6Å; F96-I129 HydrophobicContact CD2-CG1 4.34Å; F96-I129 HydrophobicContact CE1-CD1 3.87Å; F96-I129 HydrophobicContact CE2-CD1 3.77Å; F96-I129 HydrophobicContact CG-CD1 3.56Å; F96-I129 HydrophobicContact CZ-CD1 3.91Å; I129-N131 HydrophobicContact CG2-CB 4.45Å; I129-L136 HydrophobicContact CG2-CD1 4.17Å; I129-G137 WeakPolarHBondContact CA-O 3.47Å; I129-V138 HydrophobicContact CD1-CB 3.56Å; I129-V138 HydrophobicContact CD1-CG2 3.64Å
130	L	94.2	Very high	89	Confident	7 Å²	7	67.6 Å²	67.6	4%	0.037	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	124.5	166.1	174.5	61.5	0	0	0	107.6	A63 S67 F68 E132 L135 L136 G137	A63-L130 HydrophobicContact CB-CD2 4.01Å; S67-L130 WeakPolarHBondContact O-CD1 3.23Å; F68-L130 HydrophobicContact CD1-CB 3.6Å; F68-L130 HydrophobicContact CE1-CB 3.65Å; F68-L130 HydrophobicContact CE1-CD2 4.41Å; F68-L130 HydrophobicContact CE2-CD2 4.37Å; F68-L130 HydrophobicContact CG-CB 4.16Å; F68-L130 HydrophobicContact CZ-CB 4.23Å; F68-L130 HydrophobicContact CZ-CD2 4.16Å; L130-E132 HydrophobicContact CD1-CG 3.64Å; L130-E132 WeakPolarHBondContact CD1-OE1 3.35Å; L130-E132 HydrophobicContact CG-CG 4.3Å; L130-L135 HydrophobicContact CD2-CD2 3.55Å; L130-L135 HydrophobicContact CD2-CG 4.15Å; L130-L136 CarbonylContact O-C 3.49Å; L130-L136 WeakPolarHBondContact O-CA 3.4Å; L130-L136 WeakPolarHBondContact O-CD1 3.32Å; L130-G137 PolarHBondContact N-O 2.81Å; L130-G137 PolarHBondContact O-N 2.67Å
131	N	93.4	Very high	89.3	Confident	39 Å²	39	66.8 Å²	66.8	21%	0.209	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	94.9	176.3	-174.7	23.4	0	0	0	109.8	R79 Q81 I129 L136	R79-N131 PolarHBondContact O-ND2 2.74Å; Q81-N131 PolarHBondContact NE2-O 2.86Å; I129-N131 HydrophobicContact CG2-CB 4.45Å; N131-L136 HydrophobicContact CB-CD1 3.82Å
132	E	92	Very high	89.6	Confident	94 Å²	94	64 Å²	64	44%	0.439	30%	0.297	S	S	.	.			trans	-114.3	177.1	-178.5	-67.2	-177.7	168.3	0	0	110.6	L130 E134 L135	L130-E132 HydrophobicContact CD1-CG 3.64Å; L130-E132 WeakPolarHBondContact CD1-OE1 3.35Å; L130-E132 HydrophobicContact CG-CG 4.3Å; E132-E134 PolarHBondContact O-N 2.03Å; E132-L135 PolarHBondContact N-O 3.22Å
133	K	93.5	Very high	89.8	Confident	149 Å²	149	64.6 Å²	64.6	65%	0.648	31%	0.307	S	S	*	.	S	Bend	trans	-55.6	-37	-175.9	-169.1	-176.3	177	-166	0	113.2	F82	F82-K133 WeakPolarHBondContact CB-O 3.48Å; F82-K133 WeakPolarHBondContact CD1-O 3.26Å
134	E	90.8	Very high	89.7	Confident	159 Å²	159	59.5 Å²	59.5	74%	0.743	29%	0.287	S	S	*	.	S	Bend	trans	-121.6	0.2	-172.6	-65.2	175.6	-176.8	0	0	112.8	E132	E132-E134 PolarHBondContact O-N 2.03Å
135	L	92.6	Very high	89	Confident	72 Å²	72	54.9 Å²	54.9	38%	0.377	27%	0.272	S	S	.	.			trans	-146.5	127.9	-173.2	-179	62.3	0	0	0	111.8	A63 L130 E132	A63-L135 HydrophobicContact CB-CD2 4Å; L130-L135 HydrophobicContact CD2-CD2 3.55Å; L130-L135 HydrophobicContact CD2-CG 4.15Å; E132-L135 PolarHBondContact N-O 3.22Å
136	L	94.2	Very high	87.8	Confident	29 Å²	29	56.8 Å²	56.8	15%	0.152	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	122.8	166.9	173.4	61.6	0	0	0	108	A78 P80 F82 I94 F96 I129 L130 N131	A78-L136 HydrophobicContact CB-CD1 3.81Å; A78-L136 HydrophobicContact CB-CD2 4.07Å; P80-L136 HydrophobicContact CB-CD2 4.34Å; P80-L136 HydrophobicContact CG-CD2 3.84Å; F82-L136 HydrophobicContact CE1-CB 4.01Å; F82-L136 HydrophobicContact CZ-CB 4.07Å; I94-L136 HydrophobicContact CD1-CD2 3.57Å; F96-L136 HydrophobicContact CE2-CD1 4.27Å; F96-L136 HydrophobicContact CZ-CD1 4.3Å; F96-L136 HydrophobicContact CZ-CD2 4.45Å; F96-L136 HydrophobicContact CZ-CG 4.33Å; I129-L136 HydrophobicContact CG2-CD1 4.17Å; L130-L136 CarbonylContact O-C 3.49Å; L130-L136 WeakPolarHBondContact O-CA 3.4Å; L130-L136 WeakPolarHBondContact O-CD1 3.32Å; N131-L136 HydrophobicContact CB-CD1 3.82Å
137	G	92.9	Very high	86.6	Confident	16 Å²	16	62.2 Å²	62.2	17%	0.165	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	154.2	-176.5	0	0	0	0	0	112.9	I129 L130	I129-G137 WeakPolarHBondContact CA-O 3.47Å; L130-G137 PolarHBondContact N-O 2.81Å; L130-G137 PolarHBondContact O-N 2.67Å
138	V	92.3	Very high	85	Confident	44 Å²	44	65.9 Å²	65.9	27%	0.267	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	132.5	167.8	61.2	0	0	0	0	109.7	I72 F96 R128 I129 R140	I72-V138 HydrophobicContact CD1-CG2 4.13Å; F96-V138 HydrophobicContact CD1-CB 3.83Å; F96-V138 HydrophobicContact CD1-CG1 4Å; F96-V138 HydrophobicContact CD1-CG2 4.09Å; F96-V138 HydrophobicContact CE1-CB 3.65Å; F96-V138 HydrophobicContact CE1-CG1 3.69Å; F96-V138 HydrophobicContact CE1-CG2 4.42Å; R128-V138 CarbonylContact O-C 3.54Å; R128-V138 WeakPolarHBondContact O-CA 3.19Å; I129-V138 HydrophobicContact CD1-CB 3.56Å; I129-V138 HydrophobicContact CD1-CG2 3.64Å; V138-R140 HydrophobicContact CG2-CG 4.15Å
139	K	91.2	Very high	83.4	Confident	54 Å²	54	63 Å²	63	24%	0.235	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	128.3	170.4	179.3	178.2	176.1	-177.4	0	108.7	S65 F68 S127 R128 N141	S65-K139 VanDerWaalsContact CB-NZ 3.32Å; S65-K139 PolarHBondContact OG-NZ 2.99Å; F68-K139 HydrophobicContact CB-CB 4.23Å; F68-K139 HydrophobicContact CD1-CB 3.65Å; F68-K139 HydrophobicContact CD2-CB 4.13Å; F68-K139 HydrophobicContact CD2-CD 4.28Å; F68-K139 HydrophobicContact CE1-CB 3.96Å; F68-K139 HydrophobicContact CE2-CB 4.42Å; F68-K139 HydrophobicContact CG-CB 3.74Å; F68-K139 HydrophobicContact CG-CD 4.45Å; F68-K139 HydrophobicContact CZ-CB 4.34Å; S127-K139 CarbonylContact C-O 3.56Å; S127-K139 VanDerWaalsContact CA-O 3.26Å; S127-K139 WeakPolarHBondContact CA-O 3.3Å; R128-K139 PolarHBondContact N-O 2.88Å; R128-K139 PolarHBondContact O-N 3.13Å; K139-N141 WeakPolarHBondContact CE-OD1 3.11Å
140	R	89	Confident	81.5	Confident	35 Å²	35	71.2 Å²	71.2	13%	0.132	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	126.9	176.1	-59.3	-165	166.1	149.6	-6.5	110.4	D102 N117 E126 S127 V138 F142	D102-R140 PolarHBondContact O-NH1 3.41Å; D102-R140 PolarHBondContact O-NH2 3.16Å; N117-R140 PolarHBondContact O-NH1 2.81Å; E126-R140 WeakPolarHBondContact O-CA 3.46Å; S127-R140 WeakPolarHBondContact OG-CG 3.1Å; V138-R140 HydrophobicContact CG2-CG 4.15Å; R140-F142 HydrophobicContact CB-CD2 4.42Å; R140-F142 HydrophobicContact CB-CE2 3.65Å; R140-F142 HydrophobicContact CB-CZ 3.96Å
141	N	87.1	Confident	79.6	Confident	76 Å²	76	76.1 Å²	76.1	41%	0.406	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	123.2	171.8	-57.3	-51.5	0	0	0	108.7	F125 E126 K139	F125-N141 CarbonylContact C-O 3.43Å; F125-N141 WeakPolarHBondContact CA-O 3.37Å; F125-N141 VanDerWaalsContact CB-O 3.23Å; F125-N141 WeakPolarHBondContact CB-O 3.41Å; E126-N141 PolarHBondContact N-O 2.96Å; E126-N141 PolarHBondContact O-N 2.75Å; K139-N141 WeakPolarHBondContact CE-OD1 3.11Å
142	F	85.2	Confident	77.9	Confident	58 Å²	58	80.2 Å²	80.2	25%	0.254	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	133.5	179.7	-61.9	-91.3	0	0	0	110.4	M119 Y122 F125 R140	M119-F142 HydrophobicContact CB-CD1 4.26Å; M119-F142 HydrophobicContact CB-CE1 4.29Å; M119-F142 HydrophobicContact CE-CB 4.45Å; M119-F142 HydrophobicContact CE-CD2 4.29Å; M119-F142 HydrophobicContact CE-CG 4.42Å; M119-F142 HydrophobicContact SD-CB 4.26Å; M119-F142 HydrophobicContact SD-CG 4.45Å; Y122-F142 AromaticContact CD1-CD1 3.87Å; Y122-F142 HydrophobicContact CD1-CD1 3.87Å; Y122-F142 HydrophobicContact CD1-CE1 4.04Å; Y122-F142 HydrophobicContact CE1-CE1 4.28Å; Y122-F142 HydrophobicContact CG-CD1 4.02Å; F125-F142 HydrophobicContact CB-CD1 3.62Å; F125-F142 HydrophobicContact CB-CE1 3.97Å; F125-F142 HydrophobicContact CB-CG 4.2Å; F125-F142 HydrophobicContact CD2-CE1 4.48Å; F125-F142 HydrophobicContact CG-CD1 4.28Å; F125-F142 HydrophobicContact CG-CE1 4.17Å; R140-F142 HydrophobicContact CB-CD2 4.42Å; R140-F142 HydrophobicContact CB-CE2 3.65Å; R140-F142 HydrophobicContact CB-CZ 3.96Å
143	S	83.2	Confident	76.5	Confident	56 Å²	56	79.1 Å²	79.1	39%	0.392	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	117.3	168.3	-59.3	0	0	0	0	108.7	K123 K124	K123-S143 PolarHBondContact N-O 3.38Å; K124-S143 PolarHBondContact N-O 2.78Å; K124-S143 PolarHBondContact O-N 2.78Å
144	L	78.3	Confident	75.3	Confident	53 Å²	53	80.6 Å²	80.6	28%	0.277	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	147.6	178.2	-65	175.6	0	0	0	110.8	M119 I155	M119-L144 HydrophobicContact SD-CD2 3.54Å; M119-L144 VanDerWaalsContact SD-CD2 3.54Å; M119-L144 HydrophobicContact SD-CG 4.43Å; L144-I155 HydrophobicContact CD1-CD1 4.3Å; L144-I155 HydrophobicContact CD1-CG1 3.91Å
145	S	67	Low	74.7	Confident	40 Å²	40	76.5 Å²	76.5	28%	0.28	44%	0.436	S	S	.	.			trans	-133.6	123.9	164.2	-175.8	0	0	0	0	108.6
146	V	61	Low	74.2	Confident	56 Å²	56	79.8 Å²	79.8	34%	0.339	45%	0.447	S	S	.	.	B	Isolated β-bridge	trans	-114.2	115.5	173.3	-177.6	0	0	0	0	106.9	G148 A149	V146-G148 VanDerWaalsContact C-N 3.28Å; V146-G148 PolarHBondContact O-N 2.86Å; V146-G148 VanDerWaalsContact O-N 3.14Å; V146-A149 PolarHBondContact N-O 2.86Å; V146-A149 PolarHBondContact O-N 3.14Å; V146-A149 VanDerWaalsContact O-N 3.1Å
147	N	62.4	Low	73.7	Confident	165 Å²	165	82.9 Å²	82.9	88%	0.882	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	37.2	175	-60.2	-14.7	0	0	0	115.5	A149	N147-A149 PolarHBondContact O-N 2.69Å
148	G	57	Low	73.3	Confident	77 Å²	77	85.8 Å²	85.8	79%	0.794	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.1	-6.8	177.7	0	0	0	0	0	115.4	V146	V146-G148 VanDerWaalsContact C-N 3.28Å; V146-G148 PolarHBondContact O-N 2.86Å; V146-G148 VanDerWaalsContact O-N 3.14Å
149	A	59.9	Low	73	Confident	44 Å²	44	85 Å²	85	36%	0.364	47%	0.473	S	S	.	.	B	Isolated β-bridge	trans	-105.4	140.7	171.9	0	0	0	0	0	111.1	V146 N147 I151	V146-A149 PolarHBondContact N-O 2.86Å; V146-A149 PolarHBondContact O-N 3.14Å; V146-A149 VanDerWaalsContact O-N 3.1Å; N147-A149 PolarHBondContact O-N 2.69Å; A149-I151 VanDerWaalsContact C-N 3.29Å; A149-I151 HydrophobicContact CB-CD1 4.2Å; A149-I151 HydrophobicContact CB-CG1 4.03Å; A149-I151 PolarHBondContact O-N 2.62Å; A149-I151 VanDerWaalsContact O-N 3.07Å
150	E	54.5	Low	72.8	Confident	172 Å²	172	83.9 Å²	83.9	80%	0.804	47%	0.469	S	S	*	.			trans	-76.9	80.9	167.6	-114.2	178.2	179.8	0	0	108
151	I	53.1	Low	72.8	Confident	110 Å²	110	85.2 Å²	85.2	56%	0.564	48%	0.477	S	S	*	.			trans	-117.4	126.8	170	-54.9	179.2	0	0	0	107.7	A149 T153	A149-I151 VanDerWaalsContact C-N 3.29Å; A149-I151 HydrophobicContact CB-CD1 4.2Å; A149-I151 HydrophobicContact CB-CG1 4.03Å; A149-I151 PolarHBondContact O-N 2.62Å; A149-I151 VanDerWaalsContact O-N 3.07Å; I151-T153 VanDerWaalsContact C-N 3.26Å; I151-T153 PolarHBondContact O-N 2.84Å
152	P	58.9	Low	73.1	Confident	125 Å²	125	82.5 Å²	82.5	81%	0.812	46%	0.464	S	S	*	.			trans	-66.4	88.4	173.8	-8.9	23.4	0	0	0	108.7
153	T	62.3	Low	73.4	Confident	71 Å²	71	80.8 Å²	80.8	44%	0.436	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-74.4	144.5	165.5	-50.4	0	0	0	0	107.3	I151 I155	I151-T153 VanDerWaalsContact C-N 3.26Å; I151-T153 PolarHBondContact O-N 2.84Å; T153-I155 PolarHBondContact O-N 2.9Å
154	E	69.1	Low	74	Confident	180 Å²	180	78.5 Å²	78.5	84%	0.841	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-52.3	124.1	169.7	-170.7	173.8	-169.4	0	0	109.4	K156	E154-K156 PolarHBondContact O-N 2.9Å
155	I	76.5	Confident	74.6	Confident	74 Å²	74	77.3 Å²	77.3	38%	0.379	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-66.7	122.1	-180	-59.9	166	0	0	0	107.5	M119 L144 T153 L160	M119-I155 HydrophobicContact CE-CD1 3.76Å; M119-I155 HydrophobicContact SD-CD1 4.31Å; L144-I155 HydrophobicContact CD1-CD1 4.3Å; L144-I155 HydrophobicContact CD1-CG1 3.91Å; T153-I155 PolarHBondContact O-N 2.9Å; I155-L160 HydrophobicContact CG2-CD1 3.8Å; I155-L160 HydrophobicContact CG2-CD2 3.78Å; I155-L160 HydrophobicContact CG2-CG 3.64Å
156	K	82.8	Confident	75.8	Confident	140 Å²	140	75.4 Å²	75.4	61%	0.609	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-67.7	136.6	176.9	-64.2	-179.5	-179.7	178.6	0	109.7	E154 S158 D159	E154-K156 PolarHBondContact O-N 2.9Å; K156-S158 PolarHBondContact O-N 3.12Å; K156-S158 VanDerWaalsContact O-N 3.11Å; K156-D159 HydrophobicContact CB-CB 4.49Å; K156-D159 WeakPolarHBondContact O-CB 3.1Å; K156-D159 PolarHBondContact O-N 3.28Å
157	E	84.4	Confident	77	Confident	94 Å²	94	75.5 Å²	75.5	44%	0.439	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-54.2	-32.7	173.5	-67.9	-171	179.8	0	0	112.1	D159 L160 A183 K184	E157-D159 PolarHBondContact O-N 2.99Å; E157-L160 PolarHBondContact O-N 2.91Å; E157-A183 HydrophobicContact CB-CB 3.94Å; E157-K184 WeakPolarHBondContact OE1-CA 3.04Å
158	S	83.9	Confident	78	Confident	77 Å²	77	68 Å²	68	54%	0.538	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-65.1	-19	176.7	61	0	0	0	0	115.2	K120 K156	K120-S158 PolarHBondContact NZ-O 3.05Å; K120-S158 VanDerWaalsContact NZ-O 3.14Å; K156-S158 PolarHBondContact O-N 3.12Å; K156-S158 VanDerWaalsContact O-N 3.11Å
159	D	85.8	Confident	78.9	Confident	28 Å²	28	74.5 Å²	74.5	15%	0.15	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-93.4	-10.6	-178.6	-66.3	-8.8	0	0	0	111.4	M119 K120 N121 K156 E157	M119-D159 CarbonylContact C-O 3.45Å; M119-D159 VanDerWaalsContact CA-O 3.26Å; M119-D159 WeakPolarHBondContact CA-O 3.47Å; K120-D159 HydrophobicContact CB-CB 3.93Å; K120-D159 PolarHBondContact N-O 3.48Å; N121-D159 PolarHBondContact ND2-OD2 2.87Å; N121-D159 VanDerWaalsContact ND2-OD2 3.15Å; K156-D159 HydrophobicContact CB-CB 4.49Å; K156-D159 WeakPolarHBondContact O-CB 3.1Å; K156-D159 PolarHBondContact O-N 3.28Å; E157-D159 PolarHBondContact O-N 2.99Å
160	L	88	Confident	79.5	Confident	30 Å²	30	72.9 Å²	72.9	16%	0.157	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	124.7	-179.7	-65.9	170.4	0	0	0	110.4	M119 I155 E157 I186	M119-L160 HydrophobicContact CB-CD2 4.49Å; M119-L160 HydrophobicContact CE-CD2 3.82Å; M119-L160 HydrophobicContact CG-CD2 4.07Å; I155-L160 HydrophobicContact CG2-CD1 3.8Å; I155-L160 HydrophobicContact CG2-CD2 3.78Å; I155-L160 HydrophobicContact CG2-CG 3.64Å; E157-L160 PolarHBondContact O-N 2.91Å; L160-I186 HydrophobicContact CB-CB 4.31Å; L160-I186 HydrophobicContact CB-CD1 4.1Å; L160-I186 HydrophobicContact CB-CG2 4.14Å; L160-I186 HydrophobicContact CD1-CB 4.09Å; L160-I186 HydrophobicContact CD1-CG2 3.93Å; L160-I186 WeakPolarHBondContact CD1-O 3.38Å; L160-I186 HydrophobicContact CD2-CG2 4.27Å; L160-I186 HydrophobicContact CG-CG2 4.35Å
161	Q	88.9	Confident	80.5	Confident	63 Å²	63	69.4 Å²	69.4	29%	0.294	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	124.9	169.3	-173.1	163	39.6	0	0	110.9	Y118 K163	Y118-Q161 HydrophobicContact CD1-CB 4.02Å; Y118-Q161 HydrophobicContact CD1-CG 4.49Å; Y118-Q161 HydrophobicContact CE1-CB 3.51Å; Y118-Q161 HydrophobicContact CE1-CG 3.83Å; Y118-Q161 HydrophobicContact CE2-CB 4.34Å; Y118-Q161 PolarHBondContact N-O 2.86Å; Y118-Q161 PolarHBondContact O-N 2.62Å; Y118-Q161 VanDerWaalsContact O-O 3.12Å; Y118-Q161 PolarHBondContact OH-OE1 2.85Å; Q161-K163 HydrophobicContact CG-CG 4.4Å
162	S	92.4	Very high	81.4	Confident	20 Å²	20	71.1 Å²	71.1	14%	0.14	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	126.4	166.9	-178	0	0	0	0	108.6	Y116 N117 V181	Y116-S162 VanDerWaalsContact O-CA 3.28Å; Y116-S162 WeakPolarHBondContact O-CA 3.25Å; N117-S162 PolarHBondContact OD1-OG 2.8Å; S162-V181 PolarHBondContact O-N 3.1Å
163	K	93.1	Very high	82.3	Confident	22 Å²	22	69.6 Å²	69.6	10%	0.096	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	152.2	177.3	61.7	170.8	173.1	170.2	0	111.5	Y116 Q161 E178 I179 P180	Y116-K163 HydrophobicContact CD2-CD 4.08Å; Y116-K163 HydrophobicContact CD2-CG 3.66Å; Y116-K163 HydrophobicContact CG-CG 4Å; Y116-K163 PolarHBondContact N-O 3.23Å; Y116-K163 PolarHBondContact O-N 2.98Å; Q161-K163 HydrophobicContact CG-CG 4.4Å; K163-E178 WeakPolarHBondContact CD-OE2 3.46Å; K163-E178 IonicContact NZ-OE1 2.81Å; K163-E178 PolarHBondContact NZ-OE1 3.03Å; K163-E178 IonicContact NZ-OE2 2.67Å; K163-E178 PolarHBondContact NZ-OE2 3.45Å; K163-I179 VanDerWaalsContact CA-O 3.23Å; K163-I179 WeakPolarHBondContact CA-O 3.39Å; K163-I179 WeakPolarHBondContact CB-O 3.39Å; K163-P180 HydrophobicContact CB-CB 4.33Å
164	I	94.1	Very high	83.1	Confident	7 Å²	7	70 Å²	70	4%	0.036	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	139.7	165.4	60.9	168.8	0	0	0	109.8	Y51 Y86 Y87 I115 E178 I179 F194	Y51-I164 HydrophobicContact CD1-CD1 4.23Å; Y51-I164 HydrophobicContact CD2-CD1 4.08Å; Y51-I164 HydrophobicContact CE1-CD1 4.38Å; Y51-I164 HydrophobicContact CE2-CD1 4.22Å; Y51-I164 HydrophobicContact CG-CD1 4.09Å; Y86-I164 WeakPolarHBondContact OH-CB 3.31Å; Y87-I164 HydrophobicContact CE2-CD1 4.29Å; I115-I164 HydrophobicContact CG1-CG2 4.2Å; I115-I164 HydrophobicContact CG2-CG2 4.13Å; I164-E178 WeakPolarHBondContact O-CA 3.39Å; I164-I179 HydrophobicContact CD1-CB 4.38Å; I164-I179 HydrophobicContact CD1-CD1 3.8Å; I164-I179 HydrophobicContact CG1-CB 3.75Å; I164-I179 HydrophobicContact CG1-CD1 4.05Å; I164-I179 HydrophobicContact CG1-CG1 4.28Å; I164-I179 PolarHBondContact N-O 3.31Å; I164-I179 VanDerWaalsContact N-O 3.09Å; I164-I179 PolarHBondContact O-N 3.01Å; I164-F194 HydrophobicContact CD1-CB 4.2Å; I164-F194 HydrophobicContact CD1-CD1 3.68Å; I164-F194 HydrophobicContact CD1-CD2 4.43Å; I164-F194 HydrophobicContact CD1-CE1 4.13Å; I164-F194 HydrophobicContact CD1-CG 3.84Å; I164-F194 HydrophobicContact CG1-CD1 4.19Å; I164-F194 HydrophobicContact CG1-CE1 4.13Å; I164-F194 HydrophobicContact CG1-CG 4.47Å; I164-F194 HydrophobicContact CG1-CZ 4.35Å; I164-F194 HydrophobicContact CG2-CD2 4Å; I164-F194 HydrophobicContact CG2-CE2 4.01Å; I164-F194 HydrophobicContact CG2-CG 4.46Å; I164-F194 HydrophobicContact CG2-CZ 4.47Å
165	Y	92.4	Very high	83.7	Confident	29 Å²	29	64 Å²	64	11%	0.114	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	133.4	-178.1	169.6	-75.6	0	0	0	108.9	Y86 Y111 G113 I114 Y116 N176 H177 E178	Y86-Y165 WeakPolarHBondContact CE1-O 3.01Å; Y86-Y165 PolarHBondContact OH-N 3.17Å; Y86-Y165 PolarHBondContact OH-O 2.65Å; Y111-Y165 HydrophobicContact CE1-CE1 4.46Å; Y111-Y165 VanDerWaalsContact OH-CE1 3.26Å; Y111-Y165 WeakPolarHBondContact OH-CE1 3.46Å; G113-Y165 CarbonylContact C-O 3.52Å; G113-Y165 VanDerWaalsContact CA-O 3.22Å; G113-Y165 WeakPolarHBondContact CA-O 3.38Å; I114-Y165 HydrophobicContact CB-CD1 4.38Å; I114-Y165 PolarHBondContact N-O 3.49Å; I114-Y165 WeakPolarHBondContact O-CA 3.5Å; I114-Y165 WeakPolarHBondContact O-CB 3.28Å; I114-Y165 PolarHBondContact O-N 2.73Å; Y116-Y165 HydrophobicContact CE2-CD2 4.48Å; Y116-Y165 HydrophobicContact CE2-CG 4.16Å; Y165-N176 HydrophobicContact CE2-CB 3.72Å; Y165-N176 PolarHBondContact OH-ND2 2.86Å; Y165-N176 PolarHBondContact OH-OD1 3.28Å; Y165-H177 WeakPolarHBondContact CA-O 3.42Å; Y165-E178 HydrophobicContact CD2-CG 3.54Å; Y165-E178 WeakPolarHBondContact CD2-OE1 3.04Å; Y165-E178 HydrophobicContact CE2-CG 4.33Å; Y165-E178 HydrophobicContact CG-CG 4.39Å
166	G	91.7	Very high	84.1	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	166.1	175.4	0	0	0	0	0	113.6	H177	G166-H177 PolarHBondContact N-O 2.96Å; G166-H177 PolarHBondContact O-N 2.88Å
167	L	86.1	Confident	84.4	Confident	57 Å²	57	58.7 Å²	58.7	30%	0.298	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	127.3	173	-63.3	175.3	0	0	0	110	Y111 I112 N176	Y111-L167 HydrophobicContact CD1-CD1 4.01Å; Y111-L167 HydrophobicContact CE1-CD1 4.26Å; Y111-L167 HydrophobicContact CE1-CG 4.42Å; I112-L167 PolarHBondContact O-N 2.94Å; I112-L167 VanDerWaalsContact O-N 3.1Å; L167-N176 VanDerWaalsContact CD2-OD1 3.24Å; L167-N176 WeakPolarHBondContact CD2-OD1 3.42Å
168	I	82.4	Confident	84.7	Confident	9 Å²	9	58.3 Å²	58.3	5%	0.046	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	141.1	169.3	53	162.9	0	0	0	109.2	I29 Y49 Y87 S174 T175 H177	I29-I168 HydrophobicContact CD1-CD1 3.44Å; I29-I168 VanDerWaalsContact CD1-CD1 3.44Å; I29-I168 HydrophobicContact CG2-CD1 4.04Å; Y49-I168 HydrophobicContact CD1-CG2 4.32Å; Y49-I168 HydrophobicContact CE1-CG2 4.13Å; Y87-I168 HydrophobicContact CD1-CG2 3.83Å; Y87-I168 HydrophobicContact CE1-CG2 4.06Å; I168-S174 CarbonylContact O-C 3.54Å; I168-S174 WeakPolarHBondContact O-CA 3.41Å; I168-T175 HydrophobicContact CD1-CG2 4.35Å; I168-T175 WeakPolarHBondContact CG1-O 3.37Å; I168-T175 PolarHBondContact N-O 2.85Å; I168-T175 PolarHBondContact O-N 3.47Å; I168-H177 HydrophobicContact CD1-CB 4.08Å; I168-H177 HydrophobicContact CG1-CB 4.08Å; I168-H177 HydrophobicContact CG2-CB 3.85Å
169	R	76.9	Confident	85.1	Confident	212 Å²	212	54.6 Å²	54.6	80%	0.8	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.7	116.2	175.7	-69.7	-176.3	178.4	173	0.3	109.9
170	C	73.3	Confident	85.5	Confident	10 Å²	10	56.7 Å²	56.7	7%	0.068	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	98	177.2	-62.2	0	0	0	0	109.2	C26 N172 V173 T175	C26-C170 HydrophobicContact CB-CB 3.68Å; C26-C170 WeakPolarHBondContact CB-SG 3.24Å; C26-C170 WeakPolarHBondContact SG-CA 3.04Å; C26-C170 WeakPolarHBondContact SG-CB 3.24Å; C26-C170 CovalentContact SG-SG 1.99Å; C26-C170 PolarHBondContact SG-SG 2.84Å; C170-N172 PolarHBondContact O-N 3.05Å; C170-V173 CarbonylContact C-O 3.6Å; C170-V173 WeakPolarHBondContact CA-O 3.3Å; C170-V173 WeakPolarHBondContact CB-O 3.31Å; C170-V173 PolarHBondContact N-O 3.33Å; C170-V173 PolarHBondContact O-N 3.13Å; C170-V173 VanDerWaalsContact O-O 3.08Å; C170-T175 PolarHBondContact SG-OG1 2.68Å
171	D	73.6	Confident	85.9	Confident	99 Å²	99	55.7 Å²	55.7	53%	0.529	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	-98.9	-174.9	-63.9	-51.3	0	0	0	112.4	R23	R23-D171 WeakPolarHBondContact CD-OD1 3.35Å
172	N	72.7	Confident	86.1	Confident	147 Å²	147	54.2 Å²	54.2	79%	0.786	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.9	4.2	178.7	-67.2	-10.4	0	0	0	113.8	C170	C170-N172 PolarHBondContact O-N 3.05Å
173	V	78.8	Confident	86.1	Confident	93 Å²	93	54.8 Å²	54.8	56%	0.564	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.9	132.4	-178.4	-177.2	0	0	0	0	109.5	C170	C170-V173 CarbonylContact C-O 3.6Å; C170-V173 WeakPolarHBondContact CA-O 3.3Å; C170-V173 WeakPolarHBondContact CB-O 3.31Å; C170-V173 PolarHBondContact N-O 3.33Å; C170-V173 PolarHBondContact O-N 3.13Å; C170-V173 VanDerWaalsContact O-O 3.08Å
174	S	77.6	Confident	86.1	Confident	78 Å²	78	58.6 Å²	58.6	55%	0.545	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	123.9	167.7	-62.7	0	0	0	0	108.8	I168	I168-S174 CarbonylContact O-C 3.54Å; I168-S174 WeakPolarHBondContact O-CA 3.41Å
175	T	82.7	Confident	86.1	Confident	54 Å²	54	58.9 Å²	58.9	33%	0.331	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	152.1	177.5	-57	0	0	0	0	109.6	I168 C170	I168-T175 HydrophobicContact CD1-CG2 4.35Å; I168-T175 WeakPolarHBondContact CG1-O 3.37Å; I168-T175 PolarHBondContact N-O 2.85Å; I168-T175 PolarHBondContact O-N 3.47Å; C170-T175 PolarHBondContact SG-OG1 2.68Å
176	N	85	Confident	86.1	Confident	92 Å²	92	59.6 Å²	59.6	49%	0.492	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	137.2	176.4	-60.8	-23.5	0	0	0	109.8	Y165 L167	Y165-N176 HydrophobicContact CE2-CB 3.72Å; Y165-N176 PolarHBondContact OH-ND2 2.86Å; Y165-N176 PolarHBondContact OH-OD1 3.28Å; L167-N176 VanDerWaalsContact CD2-OD1 3.24Å; L167-N176 WeakPolarHBondContact CD2-OD1 3.42Å
177	H	88	Confident	86.1	Confident	12 Å²	12	64.8 Å²	64.8	6%	0.056	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	136.6	175.4	-178.8	-94	0	0	0	110.2	Y87 Y165 G166 I168 I179	Y87-H177 HydrophobicContact CE1-CB 3.89Å; Y87-H177 AromaticContact CE1-ND1 3.48Å; Y87-H177 WeakPolarHBondContact CE1-ND1 3.46Å; Y87-H177 AromaticContact CZ-ND1 3.7Å; Y87-H177 PolarHBondContact OH-ND1 2.91Å; Y87-H177 PolarHBondContact OH-O 2.94Å; Y165-H177 WeakPolarHBondContact CA-O 3.42Å; G166-H177 PolarHBondContact N-O 2.96Å; G166-H177 PolarHBondContact O-N 2.88Å; I168-H177 HydrophobicContact CD1-CB 4.08Å; I168-H177 HydrophobicContact CG1-CB 4.08Å; I168-H177 HydrophobicContact CG2-CB 3.85Å; H177-I179 WeakPolarHBondContact CE1-CG1 3.49Å
178	E	90.5	Very high	86.2	Confident	85 Å²	85	67.6 Å²	67.6	40%	0.397	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	139.4	-178.8	-66.3	-168.4	171.2	0	0	110.6	K163 I164 Y165	K163-E178 WeakPolarHBondContact CD-OE2 3.46Å; K163-E178 IonicContact NZ-OE1 2.81Å; K163-E178 PolarHBondContact NZ-OE1 3.03Å; K163-E178 IonicContact NZ-OE2 2.67Å; K163-E178 PolarHBondContact NZ-OE2 3.45Å; I164-E178 WeakPolarHBondContact O-CA 3.39Å; Y165-E178 HydrophobicContact CD2-CG 3.54Å; Y165-E178 WeakPolarHBondContact CD2-OE1 3.04Å; Y165-E178 HydrophobicContact CE2-CG 4.33Å; Y165-E178 HydrophobicContact CG-CG 4.39Å
179	I	93.6	Very high	86.7	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	100.5	171.8	-57.1	165.5	0	0	0	108	H48 Y51 K163 I164 H177 F194	H48-I179 HydrophobicContact CB-CD1 3.71Å; H48-I179 HydrophobicContact CB-CG1 4.04Å; H48-I179 HydrophobicContact CB-CG2 4.48Å; H48-I179 VanDerWaalsContact CE1-CG2 3.46Å; H48-I179 WeakPolarHBondContact CE1-CG2 3.36Å; H48-I179 WeakPolarHBondContact ND1-CG2 3.32Å; Y51-I179 HydrophobicContact CD2-CD1 3.79Å; Y51-I179 HydrophobicContact CG-CD1 4.02Å; K163-I179 VanDerWaalsContact CA-O 3.23Å; K163-I179 WeakPolarHBondContact CA-O 3.39Å; K163-I179 WeakPolarHBondContact CB-O 3.39Å; I164-I179 HydrophobicContact CD1-CB 4.38Å; I164-I179 HydrophobicContact CD1-CD1 3.8Å; I164-I179 HydrophobicContact CG1-CB 3.75Å; I164-I179 HydrophobicContact CG1-CD1 4.05Å; I164-I179 HydrophobicContact CG1-CG1 4.28Å; I164-I179 PolarHBondContact N-O 3.31Å; I164-I179 VanDerWaalsContact N-O 3.09Å; I164-I179 PolarHBondContact O-N 3.01Å; H177-I179 WeakPolarHBondContact CE1-CG1 3.49Å; I179-F194 HydrophobicContact CB-CE1 4.25Å; I179-F194 HydrophobicContact CG2-CD1 4.42Å; I179-F194 HydrophobicContact CG2-CE1 3.61Å; I179-F194 HydrophobicContact CG2-CZ 4.43Å
180	P	94.1	Very high	87.5	Confident	72 Å²	72	60.5 Å²	60.5	47%	0.468	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	138.9	177	32.3	-33	0	0	0	111.9	K163	K163-P180 HydrophobicContact CB-CB 4.33Å
181	V	95.2	Very high	88.6	Confident	8 Å²	8	62.2 Å²	62.2	5%	0.048	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-74.4	124.4	160.9	-176.3	0	0	0	0	107.2	M53 I55 S162 A183 I186 V192 F194	M53-V181 HydrophobicContact SD-CG2 4.28Å; I55-V181 HydrophobicContact CD1-CG1 4.15Å; S162-V181 PolarHBondContact O-N 3.1Å; V181-A183 PolarHBondContact O-N 3.09Å; V181-I186 HydrophobicContact CB-CD1 4.4Å; V181-I186 HydrophobicContact CB-CG1 4.4Å; V181-I186 HydrophobicContact CG1-CD1 4.42Å; V181-I186 HydrophobicContact CG1-CG1 3.88Å; V181-V192 HydrophobicContact CG1-CG2 3.85Å; V181-V192 HydrophobicContact CG2-CG1 3.84Å; V181-V192 HydrophobicContact CG2-CG2 4.25Å; V181-F194 HydrophobicContact CG2-CE2 4.19Å; V181-F194 HydrophobicContact CG2-CZ 3.81Å
182	P	94.3	Very high	89.6	Confident	33 Å²	33	59.6 Å²	59.6	21%	0.214	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-63.1	131	179.5	-13	22.8	0	0	0	110.4	K184 W185	P182-K184 HydrophobicContact CB-CG 4.41Å; P182-K184 PolarHBondContact O-N 2.85Å; P182-K184 VanDerWaalsContact O-N 3.1Å; P182-W185 WeakPolarHBondContact O-CB 2.97Å; P182-W185 PolarHBondContact O-N 3.46Å
183	A	92.6	Very high	90.7	Very high	32 Å²	32	55 Å²	55	26%	0.264	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-56.7	-34.2	-170.6	0	0	0	0	0	113.7	E157 V181 W185 I186	E157-A183 HydrophobicContact CB-CB 3.94Å; V181-A183 PolarHBondContact O-N 3.09Å; A183-W185 PolarHBondContact O-N 3.2Å; A183-I186 PolarHBondContact O-N 3.45Å
184	K	92.9	Very high	91.4	Very high	102 Å²	102	53.1 Å²	53.1	44%	0.443	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-56.1	-22.1	174.7	73.2	177.5	-172	173.8	0	114.7	E39 E157 P182 K187	E39-K184 WeakPolarHBondContact OE1-CE 3.41Å; E39-K184 IonicContact OE1-NZ 3.92Å; E39-K184 PolarHBondContact OE1-NZ 3.44Å; E157-K184 WeakPolarHBondContact OE1-CA 3.04Å; P182-K184 HydrophobicContact CB-CG 4.41Å; P182-K184 PolarHBondContact O-N 2.85Å; P182-K184 VanDerWaalsContact O-N 3.1Å; K184-K187 WeakPolarHBondContact O-CE 3.13Å
185	W	94.5	Very high	92.2	Very high	12 Å²	12	51.7 Å²	51.7	5%	0.045	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-92.1	-16.2	177.1	-73.1	98	0	0	0	113	E39 N40 R44 I55 R57 P182 A183 K187 T190	E39-W185 HydrophobicContact CG-CZ2 3.98Å; N40-W185 WeakPolarHBondContact O-CH2 3.41Å; N40-W185 WeakPolarHBondContact O-CZ2 3.07Å; R44-W185 HydrophobicContact CB-CH2 4.01Å; R44-W185 HydrophobicContact CB-CZ2 3.68Å; R44-W185 HydrophobicContact CG-CZ2 4.49Å; I55-W185 HydrophobicContact CB-CD2 4.43Å; I55-W185 HydrophobicContact CB-CE3 4.18Å; I55-W185 HydrophobicContact CD1-CB 4.04Å; I55-W185 HydrophobicContact CD1-CD2 4.33Å; I55-W185 HydrophobicContact CD1-CG 3.92Å; I55-W185 HydrophobicContact CG2-CB 4.03Å; I55-W185 HydrophobicContact CG2-CD2 3.84Å; I55-W185 HydrophobicContact CG2-CE3 3.38Å; I55-W185 HydrophobicContact CG2-CG 4.11Å; I55-W185 HydrophobicContact CG2-CZ3 4.08Å; R57-W185 HydrophobicContact CG-CE3 4.09Å; R57-W185 HydrophobicContact CG-CZ3 3.68Å; P182-W185 WeakPolarHBondContact O-CB 2.97Å; P182-W185 PolarHBondContact O-N 3.46Å; A183-W185 PolarHBondContact O-N 3.2Å; W185-K187 PolarHBondContact O-N 3.09Å; W185-T190 WeakPolarHBondContact O-CB 3.4Å; W185-T190 VanDerWaalsContact O-CG2 3.27Å; W185-T190 WeakPolarHBondContact O-CG2 3.32Å; W185-T190 PolarHBondContact O-OG1 3.32Å
186	I	92.1	Very high	92.5	Very high	44 Å²	44	52.4 Å²	52.4	23%	0.226	29%	0.292	C	S	.	.			trans	-79.1	76	-178.5	-50.4	177.1	0	0	0	109.3	L160 V181 A183	L160-I186 HydrophobicContact CB-CB 4.31Å; L160-I186 HydrophobicContact CB-CD1 4.1Å; L160-I186 HydrophobicContact CB-CG2 4.14Å; L160-I186 HydrophobicContact CD1-CB 4.09Å; L160-I186 HydrophobicContact CD1-CG2 3.93Å; L160-I186 WeakPolarHBondContact CD1-O 3.38Å; L160-I186 HydrophobicContact CD2-CG2 4.27Å; L160-I186 HydrophobicContact CG-CG2 4.35Å; V181-I186 HydrophobicContact CB-CD1 4.4Å; V181-I186 HydrophobicContact CB-CG1 4.4Å; V181-I186 HydrophobicContact CG1-CD1 4.42Å; V181-I186 HydrophobicContact CG1-CG1 3.88Å; A183-I186 PolarHBondContact O-N 3.45Å
187	K	90.4	Very high	92.7	Very high	110 Å²	110	48.8 Å²	48.8	48%	0.478	27%	0.272	S	S	.	.	S	Bend	trans	-129.7	160.9	-178.1	-68.8	-178.1	-175.6	172.8	0	110.5	K184 W185 G189 T190	K184-K187 WeakPolarHBondContact O-CE 3.13Å; W185-K187 PolarHBondContact O-N 3.09Å; K187-G189 PolarHBondContact O-N 2.98Å; K187-T190 VanDerWaalsContact O-CB 3.27Å; K187-T190 WeakPolarHBondContact O-CB 3.36Å; K187-T190 PolarHBondContact O-N 2.86Å; K187-T190 VanDerWaalsContact O-N 3.17Å; K187-T190 PolarHBondContact O-OG1 3.16Å
188	S	89.4	Confident	92.6	Very high	115 Å²	115	49 Å²	49	80%	0.804	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	136.6	176.4	-58.6	0	0	0	0	112.2	R57 T190	R57-S188 PolarHBondContact NH1-O 2.94Å; S188-T190 VanDerWaalsContact C-N 3.32Å
189	G	91.9	Very high	92.2	Very high	37 Å²	37	49.4 Å²	49.4	38%	0.381	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.1	20.8	-179.2	0	0	0	0	0	114.5	R57 Y58 Q59 K187	R57-G189 CarbonylContact C-O 3.58Å; Y58-G189 PolarHBondContact N-O 3.27Å; Q59-G189 PolarHBondContact N-O 2.87Å; K187-G189 PolarHBondContact O-N 2.98Å
190	T	94.6	Very high	91.9	Very high	35 Å²	35	53 Å²	53	22%	0.215	30%	0.298	C	S	.	.			trans	-95.5	128.1	174.2	-48.1	0	0	0	0	110.7	I55 Q56 R57 W185 K187 S188 V192	I55-T190 HydrophobicContact CG2-CG2 3.4Å; Q56-T190 CarbonylContact O-C 3.53Å; Q56-T190 WeakPolarHBondContact O-CA 3.37Å; R57-T190 PolarHBondContact NH1-OG1 2.48Å; W185-T190 WeakPolarHBondContact O-CB 3.4Å; W185-T190 VanDerWaalsContact O-CG2 3.27Å; W185-T190 WeakPolarHBondContact O-CG2 3.32Å; W185-T190 PolarHBondContact O-OG1 3.32Å; K187-T190 VanDerWaalsContact O-CB 3.27Å; K187-T190 WeakPolarHBondContact O-CB 3.36Å; K187-T190 PolarHBondContact O-N 2.86Å; K187-T190 VanDerWaalsContact O-N 3.17Å; K187-T190 PolarHBondContact O-OG1 3.16Å; S188-T190 VanDerWaalsContact C-N 3.32Å; T190-V192 HydrophobicContact CG2-CG2 4.38Å
191	L	95.5	Very high	91.7	Very high	47 Å²	47	49.6 Å²	49.6	25%	0.246	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	129.6	168.9	179.8	62.6	0	0	0	109.1	I55 Q56 Q59 P62 V193	I55-L191 CarbonylContact C-O 3.5Å; I55-L191 WeakPolarHBondContact CA-O 3.45Å; Q56-L191 PolarHBondContact N-O 3.31Å; Q56-L191 PolarHBondContact O-N 2.59Å; Q59-L191 HydrophobicContact CB-CB 3.8Å; Q59-L191 HydrophobicContact CG-CB 3.73Å; Q59-L191 HydrophobicContact CG-CD2 4.4Å; P62-L191 HydrophobicContact CG-CD1 3.79Å; L191-V193 HydrophobicContact CD1-CG2 4.38Å; L191-V193 HydrophobicContact CD2-CG2 4.09Å; L191-V193 HydrophobicContact CG-CG2 3.93Å
192	V	95.8	Very high	91.3	Very high	44 Å²	44	51.1 Å²	51.1	27%	0.267	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	125.3	171.6	-177.9	0	0	0	0	108	M53 R54 I55 V181 T190 F194	M53-V192 HydrophobicContact CG-CG1 3.99Å; M53-V192 HydrophobicContact SD-CG1 4.12Å; R54-V192 CarbonylContact O-C 3.57Å; R54-V192 WeakPolarHBondContact O-CA 3.33Å; I55-V192 HydrophobicContact CG1-CG1 4.39Å; I55-V192 HydrophobicContact CG1-CG2 4.27Å; I55-V192 HydrophobicContact CG2-CG2 4.2Å; V181-V192 HydrophobicContact CG1-CG2 3.85Å; V181-V192 HydrophobicContact CG2-CG1 3.84Å; V181-V192 HydrophobicContact CG2-CG2 4.25Å; T190-V192 HydrophobicContact CG2-CG2 4.38Å; V192-F194 HydrophobicContact CG1-CD2 4.22Å; V192-F194 HydrophobicContact CG1-CE2 3.66Å; V192-F194 HydrophobicContact CG1-CZ 3.92Å
193	V	95	Very high	90.9	Very high	49 Å²	49	53 Å²	53	30%	0.297	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	122.1	178	-176.5	0	0	0	0	108.5	M53 R54 L191	M53-V193 WeakPolarHBondContact CA-O 3.23Å; R54-V193 HydrophobicContact CB-CB 4.35Å; R54-V193 PolarHBondContact N-O 3.23Å; R54-V193 PolarHBondContact O-N 2.92Å; L191-V193 HydrophobicContact CD1-CG2 4.38Å; L191-V193 HydrophobicContact CD2-CG2 4.09Å; L191-V193 HydrophobicContact CG-CG2 3.93Å
194	F	94.8	Very high	90.7	Very high	55 Å²	55	54 Å²	54	24%	0.241	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	128.2	166.8	-65.5	-79	0	0	0	108.7	Y51 S52 M53 I164 I179 V181 V192	Y51-F194 HydrophobicContact CD1-CB 4.21Å; S52-F194 WeakPolarHBondContact O-CA 3.28Å; M53-F194 HydrophobicContact CB-CD1 4.06Å; M53-F194 HydrophobicContact CB-CE1 3.93Å; M53-F194 HydrophobicContact CG-CD1 4.12Å; M53-F194 HydrophobicContact CG-CE1 3.69Å; M53-F194 HydrophobicContact CG-CZ 4.19Å; M53-F194 HydrophobicContact SD-CE1 3.54Å; M53-F194 VanDerWaalsContact SD-CE1 3.54Å; M53-F194 HydrophobicContact SD-CZ 3.73Å; I164-F194 HydrophobicContact CD1-CB 4.2Å; I164-F194 HydrophobicContact CD1-CD1 3.68Å; I164-F194 HydrophobicContact CD1-CD2 4.43Å; I164-F194 HydrophobicContact CD1-CE1 4.13Å; I164-F194 HydrophobicContact CD1-CG 3.84Å; I164-F194 HydrophobicContact CG1-CD1 4.19Å; I164-F194 HydrophobicContact CG1-CE1 4.13Å; I164-F194 HydrophobicContact CG1-CG 4.47Å; I164-F194 HydrophobicContact CG1-CZ 4.35Å; I164-F194 HydrophobicContact CG2-CD2 4Å; I164-F194 HydrophobicContact CG2-CE2 4.01Å; I164-F194 HydrophobicContact CG2-CG 4.46Å; I164-F194 HydrophobicContact CG2-CZ 4.47Å; I179-F194 HydrophobicContact CB-CE1 4.25Å; I179-F194 HydrophobicContact CG2-CD1 4.42Å; I179-F194 HydrophobicContact CG2-CE1 3.61Å; I179-F194 HydrophobicContact CG2-CZ 4.43Å; V181-F194 HydrophobicContact CG2-CE2 4.19Å; V181-F194 HydrophobicContact CG2-CZ 3.81Å; V192-F194 HydrophobicContact CG1-CD2 4.22Å; V192-F194 HydrophobicContact CG1-CE2 3.66Å; V192-F194 HydrophobicContact CG1-CZ 3.92Å
195	E	92.5	Very high	90.5	Very high	48 Å²	48	55 Å²	55	22%	0.224	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	128.9	177.8	-174.6	177.5	-175	0	0	109.5	Y51 S52 I197 K241	Y51-E195 CarbonylContact C-O 3.59Å; Y51-E195 VanDerWaalsContact CA-O 3.26Å; Y51-E195 WeakPolarHBondContact CA-O 3.31Å; S52-E195 PolarHBondContact N-O 3Å; S52-E195 PolarHBondContact O-N 3.09Å; E195-I197 PolarHBondContact O-N 2.82Å; E195-K241 VanDerWaalsContact CD-NZ 3.3Å; E195-K241 WeakPolarHBondContact OE1-CE 3.44Å; E195-K241 IonicContact OE1-NZ 2.62Å; E195-K241 PolarHBondContact OE1-NZ 3.13Å; E195-K241 WeakPolarHBondContact OE2-CE 3.38Å; E195-K241 IonicContact OE2-NZ 3.52Å
196	E	90	Very high	90.4	Very high	69 Å²	69	57.2 Å²	57.2	32%	0.322	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	133.2	177.8	-172.3	168.3	-150.7	0	0	110.2	N50 Y51 S85 G88	N50-E196 CarbonylContact O-C 3.56Å; N50-E196 WeakPolarHBondContact O-CA 3.34Å; Y51-E196 HydrophobicContact CD1-CB 4.42Å; Y51-E196 HydrophobicContact CE1-CB 4.02Å; S85-E196 VanDerWaalsContact CB-OE2 3.3Å; S85-E196 WeakPolarHBondContact CB-OE2 3.39Å; G88-E196 WeakPolarHBondContact CA-OE1 3.42Å; G88-E196 PolarHBondContact N-OE1 2.85Å; G88-E196 VanDerWaalsContact N-OE1 3.08Å
197	I	88.3	Confident	90.4	Very high	16 Å²	16	57.3 Å²	57.3	8%	0.082	32%	0.316	C	S	.	.			trans	-89.9	115.1	172.7	-59.1	172.6	0	0	0	106.7	L47 N50 Y51 E195 S202 I230	L47-I197 HydrophobicContact CD2-CD1 4.02Å; N50-I197 PolarHBondContact O-N 2.8Å; Y51-I197 VanDerWaalsContact C-CD1 3.49Å; Y51-I197 WeakPolarHBondContact O-CD1 3.41Å; E195-I197 PolarHBondContact O-N 2.82Å; I197-S202 WeakPolarHBondContact CG2-OG 3.39Å; I197-I230 HydrophobicContact CD1-CG2 4.37Å; I197-I230 HydrophobicContact CG2-CB 4.26Å; I197-I230 HydrophobicContact CG2-CG2 3.96Å
198	G	86	Confident	90.5	Very high	17 Å²	17	58.7 Å²	58.7	18%	0.175	33%	0.325	C	S	.	.			trans	-68.3	157.7	179.5	0	0	0	0	0	113.4	S202 E231	G198-S202 WeakPolarHBondContact O-CB 2.96Å; G198-S202 PolarHBondContact O-OG 2.77Å; G198-E231 WeakPolarHBondContact CA-OE1 3.37Å
199	E	83.2	Confident	90.7	Very high	93 Å²	93	55.8 Å²	55.8	44%	0.435	30%	0.302	S	S	.	.	H	α-helix	trans	-82.6	-21.1	-171.1	-55.6	-171.6	157.3	0	0	113.2	Y24 S202 E231	Y24-E199 WeakPolarHBondContact OH-CG 3.32Å; E199-S202 PolarHBondContact O-N 2.84Å; E199-E231 PolarHBondContact N-OE1 2.86Å
200	I	87.4	Confident	90.8	Very high	76 Å²	76	54.1 Å²	54.1	39%	0.39	29%	0.285	S	S	.	.	H	α-helix	trans	-66.9	-48.7	-171.7	-59.3	172.5	0	0	0	110.2	Q203 T215 T218 E231	I200-Q203 VanDerWaalsContact O-CG 3.24Å; I200-Q203 WeakPolarHBondContact O-CG 3.16Å; I200-Q203 PolarHBondContact O-NE2 2.84Å; I200-T215 HydrophobicContact CG2-CG2 3.8Å; I200-T218 HydrophobicContact CB-CG2 4.31Å; I200-T218 HydrophobicContact CG2-CG2 4.33Å; I200-E231 VanDerWaalsContact CB-OE1 3.27Å; I200-E231 WeakPolarHBondContact CB-OE1 3.4Å; I200-E231 PolarHBondContact N-OE1 2.98Å
201	C	90	Very high	90.5	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-78.6	-30	178.1	-65.8	0	0	0	0	111.8	Q203 Y204 T218 C220 C229 E231	C201-Q203 PolarHBondContact O-N 2.89Å; C201-Y204 VanDerWaalsContact O-CD2 3.26Å; C201-Y204 WeakPolarHBondContact O-CD2 3.32Å; C201-Y204 PolarHBondContact O-N 3.35Å; C201-T218 VanDerWaalsContact SG-CG2 3.57Å; C201-C220 HydrophobicContact CB-CB 3.83Å; C201-C220 WeakPolarHBondContact CB-SG 3.42Å; C201-C220 WeakPolarHBondContact SG-CA 3.35Å; C201-C220 WeakPolarHBondContact SG-CB 3.41Å; C201-C220 CovalentContact SG-SG 2.03Å; C201-C220 PolarHBondContact SG-SG 2.93Å; C201-C229 CarbonylContact C-O 3.56Å; C201-C229 VanDerWaalsContact O-CB 3.24Å; C201-C229 WeakPolarHBondContact O-CB 3.33Å; C201-C229 PolarHBondContact O-SG 2.82Å; C201-C229 VanDerWaalsContact O-SG 3.4Å; C201-E231 HydrophobicContact CB-CG 3.73Å; C201-E231 VanDerWaalsContact SG-CG 3.58Å
202	S	86.5	Confident	90.2	Very high	40 Å²	40	61.6 Å²	61.6	28%	0.28	32%	0.319	S	S	.	.	H	α-helix	trans	-61.2	-13.9	-178.1	-65.7	0	0	0	0	114.6	I197 G198 E199 C229	I197-S202 WeakPolarHBondContact CG2-OG 3.39Å; G198-S202 WeakPolarHBondContact O-CB 2.96Å; G198-S202 PolarHBondContact O-OG 2.77Å; E199-S202 PolarHBondContact O-N 2.84Å; S202-C229 WeakPolarHBondContact CA-O 3.44Å; S202-C229 PolarHBondContact N-O 3.21Å
203	Q	85	Confident	89.8	Confident	71 Å²	71	60.4 Å²	60.4	33%	0.332	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-26.2	174.4	76.2	-170.2	-44.7	0	0	113.5	I200 C201	I200-Q203 VanDerWaalsContact O-CG 3.24Å; I200-Q203 WeakPolarHBondContact O-CG 3.16Å; I200-Q203 PolarHBondContact O-NE2 2.84Å; C201-Q203 PolarHBondContact O-N 2.89Å
204	Y	89.7	Confident	88.9	Confident	54 Å²	54	68 Å²	68	21%	0.212	34%	0.343	C	S	.	.			trans	-81.7	122	-179	-54	-66.3	0	0	0	110.3	C201 A213 C229	C201-Y204 VanDerWaalsContact O-CD2 3.26Å; C201-Y204 WeakPolarHBondContact O-CD2 3.32Å; C201-Y204 PolarHBondContact O-N 3.35Å; Y204-A213 HydrophobicContact CD2-CB 3.81Å; Y204-A213 HydrophobicContact CE1-CB 4.27Å; Y204-A213 HydrophobicContact CE2-CB 3.27Å; Y204-C229 WeakPolarHBondContact O-CB 3.34Å
205	N	89	Confident	87.9	Confident	123 Å²	123	67.2 Å²	67.2	66%	0.658	34%	0.343	S	S	*	.			trans	-107.9	3	-171.2	65.2	-8.7	0	0	0	113.8	W222	N205-W222 WeakPolarHBondContact O-CH2 3.47Å
206	T	91.4	Very high	86.9	Confident	58 Å²	58	70.5 Å²	70.5	36%	0.356	37%	0.371	S	S	.	.	S	Bend	trans	-130.6	153.8	174.2	68	0	0	0	0	110.2	E208 T209 C210	T206-E208 VanDerWaalsContact C-N 3.29Å; T206-E208 PolarHBondContact O-N 3.3Å; T206-T209 PolarHBondContact N-OG1 2.79Å; T206-T209 PolarHBondContact O-N 2.66Å; T206-T209 PolarHBondContact O-OG1 2.75Å; T206-T209 VanDerWaalsContact O-OG1 3.08Å; T206-T209 WeakPolarHBondContact OG1-CB 3.36Å; T206-T209 WeakPolarHBondContact OG1-CG2 3.26Å; T206-T209 PolarHBondContact OG1-N 3.06Å; T206-T209 VanDerWaalsContact OG1-N 3.16Å; T206-T209 PolarHBondContact OG1-OG1 2.81Å; T206-C210 VanDerWaalsContact O-CB 3.31Å; T206-C210 WeakPolarHBondContact O-CB 3.39Å; T206-C210 PolarHBondContact O-N 3.01Å
207	N	92.4	Very high	86.5	Confident	46 Å²	46	74 Å²	74	25%	0.246	39%	0.392	C	S	.	.	H	α-helix	trans	-53.2	-49.7	174.4	-172.8	2.4	0	0	0	111.1	T209 C210 Q211 W222 E224	N207-T209 PolarHBondContact O-N 2.78Å; N207-C210 WeakPolarHBondContact O-CB 3.37Å; N207-C210 PolarHBondContact O-N 2.91Å; N207-Q211 WeakPolarHBondContact O-CB 3.32Å; N207-Q211 WeakPolarHBondContact O-CG 3.33Å; N207-Q211 PolarHBondContact O-N 3.02Å; N207-Q211 VanDerWaalsContact OD1-CG 3.27Å; N207-Q211 WeakPolarHBondContact OD1-CG 3.45Å; N207-Q211 PolarHBondContact OD1-NE2 3Å; N207-W222 VanDerWaalsContact CA-CD2 3.49Å; N207-W222 HydrophobicContact CB-CD2 3.96Å; N207-W222 HydrophobicContact CB-CG 3.79Å; N207-W222 WeakPolarHBondContact OD1-CB 2.88Å; N207-E224 PolarHBondContact ND2-OE1 3.06Å
208	E	93	Very high	86.4	Confident	140 Å²	140	74 Å²	74	65%	0.654	39%	0.393	S	S	*	.	H	α-helix	trans	-57.9	-46.2	-179.8	-174.4	-178.5	-175.2	0	0	112.8	T206 N212	T206-E208 VanDerWaalsContact C-N 3.29Å; T206-E208 PolarHBondContact O-N 3.3Å; E208-N212 WeakPolarHBondContact CG-ND2 3.18Å; E208-N212 VanDerWaalsContact O-CB 3.23Å; E208-N212 WeakPolarHBondContact O-CB 3.46Å; E208-N212 VanDerWaalsContact O-CG 3.29Å; E208-N212 PolarHBondContact O-N 2.89Å; E208-N212 PolarHBondContact O-ND2 2.88Å
209	T	93.5	Very high	86.7	Confident	54 Å²	54	76.5 Å²	76.5	33%	0.331	41%	0.405	S	S	.	.	H	α-helix	trans	-70.9	-33.2	180	54.3	0	0	0	0	112.4	T206 N207 A213	T206-T209 PolarHBondContact N-OG1 2.79Å; T206-T209 PolarHBondContact O-N 2.66Å; T206-T209 PolarHBondContact O-OG1 2.75Å; T206-T209 VanDerWaalsContact O-OG1 3.08Å; T206-T209 WeakPolarHBondContact OG1-CB 3.36Å; T206-T209 WeakPolarHBondContact OG1-CG2 3.26Å; T206-T209 PolarHBondContact OG1-N 3.06Å; T206-T209 VanDerWaalsContact OG1-N 3.16Å; T206-T209 PolarHBondContact OG1-OG1 2.81Å; N207-T209 PolarHBondContact O-N 2.78Å; T209-A213 PolarHBondContact O-N 2.91Å
210	C	92.8	Very high	87.1	Confident	2 Å²	2	73.2 Å²	73.2	1%	0.014	39%	0.392	C	S	.	.	H	α-helix	trans	-67.2	-47.3	176.1	-177.9	0	0	0	0	112	T206 N207 A213 C220 I221 W222 C229	T206-C210 VanDerWaalsContact O-CB 3.31Å; T206-C210 WeakPolarHBondContact O-CB 3.39Å; T206-C210 PolarHBondContact O-N 3.01Å; N207-C210 WeakPolarHBondContact O-CB 3.37Å; N207-C210 PolarHBondContact O-N 2.91Å; C210-A213 WeakPolarHBondContact O-CB 3.38Å; C210-A213 PolarHBondContact O-N 2.77Å; C210-C220 WeakPolarHBondContact O-CB 3.11Å; C210-I221 VanDerWaalsContact SG-C 3.51Å; C210-W222 HydrophobicContact CB-CB 4.2Å; C210-W222 HydrophobicContact CB-CD2 4.44Å; C210-W222 HydrophobicContact CB-CE3 3.71Å; C210-C229 VanDerWaalsContact CA-SG 3.55Å; C210-C229 HydrophobicContact CB-CB 3.64Å; C210-C229 WeakPolarHBondContact CB-SG 3.34Å; C210-C229 WeakPolarHBondContact SG-CB 3.27Å; C210-C229 CovalentContact SG-SG 2.02Å; C210-C229 PolarHBondContact SG-SG 2.78Å
211	Q	89.3	Confident	87.3	Confident	127 Å²	127	70 Å²	70	59%	0.593	38%	0.376	S	S	*	.	H	α-helix	trans	-69.2	-35.1	179.6	-71	-176.9	-13.4	0	0	112.3	N207 A213	N207-Q211 WeakPolarHBondContact O-CB 3.32Å; N207-Q211 WeakPolarHBondContact O-CG 3.33Å; N207-Q211 PolarHBondContact O-N 3.02Å; N207-Q211 VanDerWaalsContact OD1-CG 3.27Å; N207-Q211 WeakPolarHBondContact OD1-CG 3.45Å; N207-Q211 PolarHBondContact OD1-NE2 3Å; Q211-A213 VanDerWaalsContact C-N 3.26Å; Q211-A213 PolarHBondContact O-N 2.75Å
212	N	89.3	Confident	87.4	Confident	111 Å²	111	70.7 Å²	70.7	59%	0.594	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	5.8	178.3	-68.9	-42.7	0	0	0	113.7	E208 K214	E208-N212 WeakPolarHBondContact CG-ND2 3.18Å; E208-N212 VanDerWaalsContact O-CB 3.23Å; E208-N212 WeakPolarHBondContact O-CB 3.46Å; E208-N212 VanDerWaalsContact O-CG 3.29Å; E208-N212 PolarHBondContact O-N 2.89Å; E208-N212 PolarHBondContact O-ND2 2.88Å; N212-K214 PolarHBondContact O-N 3.2Å
213	A	86.6	Confident	87.7	Confident	20 Å²	20	68.8 Å²	68.8	17%	0.165	37%	0.365	C	S	.	.			trans	-62.3	99.6	-179.5	0	0	0	0	0	111.1	Y204 T209 C210 Q211 T215 C220	Y204-A213 HydrophobicContact CD2-CB 3.81Å; Y204-A213 HydrophobicContact CE1-CB 4.27Å; Y204-A213 HydrophobicContact CE2-CB 3.27Å; T209-A213 PolarHBondContact O-N 2.91Å; C210-A213 WeakPolarHBondContact O-CB 3.38Å; C210-A213 PolarHBondContact O-N 2.77Å; Q211-A213 VanDerWaalsContact C-N 3.26Å; Q211-A213 PolarHBondContact O-N 2.75Å; A213-T215 HydrophobicContact CB-CG2 4.48Å; A213-T215 PolarHBondContact O-N 3.1Å; A213-T215 VanDerWaalsContact O-N 3.14Å; A213-C220 HydrophobicContact CB-CB 4.29Å
214	K	76.3	Confident	88	Confident	207 Å²	207	69.9 Å²	69.9	90%	0.9	37%	0.37	S	S	*	.			trans	-81.2	89.4	171.3	-67.1	-176.1	-177.8	179.9	0	109.1	N212	N212-K214 PolarHBondContact O-N 3.2Å
215	T	72.7	Confident	88	Confident	39 Å²	39	73.5 Å²	73.5	24%	0.239	39%	0.387	C	S	.	.			trans	-109	148.9	167	85.1	0	0	0	0	108.6	I200 A213 N217 T218	I200-T215 HydrophobicContact CG2-CG2 3.8Å; A213-T215 HydrophobicContact CB-CG2 4.48Å; A213-T215 PolarHBondContact O-N 3.1Å; A213-T215 VanDerWaalsContact O-N 3.14Å; T215-N217 VanDerWaalsContact C-N 3.33Å; T215-N217 PolarHBondContact O-N 2.9Å; T215-T218 VanDerWaalsContact OG1-C 3.29Å; T215-T218 WeakPolarHBondContact OG1-CA 3.42Å; T215-T218 WeakPolarHBondContact OG1-CB 3.38Å; T215-T218 PolarHBondContact OG1-N 3.03Å; T215-T218 PolarHBondContact OG1-O 2.87Å
216	S	71.7	Confident	88	Confident	117 Å²	117	67.9 Å²	67.9	82%	0.818	36%	0.358	S	S	*	.	S	Bend	trans	-70.4	-30	-175.9	54.3	0	0	0	0	113
217	N	82.3	Confident	87.9	Confident	142 Å²	142	73.1 Å²	73.1	76%	0.759	38%	0.376	S	S	*	.	S	Bend	trans	-135.4	4.4	-169.8	-65.7	-11.3	0	0	0	114.4	T215	T215-N217 VanDerWaalsContact C-N 3.33Å; T215-N217 PolarHBondContact O-N 2.9Å
218	T	87.2	Confident	87.7	Confident	18 Å²	18	74 Å²	74	11%	0.11	38%	0.378	C	S	.	.			trans	-123.8	121.9	-172.9	-53.8	0	0	0	0	111.1	I200 C201 T215 E231 N233	I200-T218 HydrophobicContact CB-CG2 4.31Å; I200-T218 HydrophobicContact CG2-CG2 4.33Å; C201-T218 VanDerWaalsContact SG-CG2 3.57Å; T215-T218 VanDerWaalsContact OG1-C 3.29Å; T215-T218 WeakPolarHBondContact OG1-CA 3.42Å; T215-T218 WeakPolarHBondContact OG1-CB 3.38Å; T215-T218 PolarHBondContact OG1-N 3.03Å; T215-T218 PolarHBondContact OG1-O 2.87Å; T218-E231 HydrophobicContact CG2-CB 4.19Å; T218-E231 HydrophobicContact CG2-CG 3.64Å; T218-N233 VanDerWaalsContact CA-OD1 3.27Å; T218-N233 WeakPolarHBondContact CA-OD1 3.43Å; T218-N233 WeakPolarHBondContact CG2-OD1 3.32Å
219	T	90.3	Very high	87.6	Confident	69 Å²	69	67.4 Å²	67.4	42%	0.423	35%	0.347	S	S	.	.			trans	-91.6	127.6	174.7	-55.7	0	0	0	0	109.1	E231 S232 N233	T219-E231 CarbonylContact O-C 3.57Å; T219-S232 WeakPolarHBondContact CB-O 3.42Å; T219-S232 PolarHBondContact O-N 2.92Å; T219-N233 PolarHBondContact N-OD1 3.4Å
220	C	91.8	Very high	87.5	Confident	23 Å²	23	65 Å²	65	16%	0.155	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	142.7	178.5	-60.7	0	0	0	0	111.8	C201 C210 A213 I230	C201-C220 HydrophobicContact CB-CB 3.83Å; C201-C220 WeakPolarHBondContact CB-SG 3.42Å; C201-C220 WeakPolarHBondContact SG-CA 3.35Å; C201-C220 WeakPolarHBondContact SG-CB 3.41Å; C201-C220 CovalentContact SG-SG 2.03Å; C201-C220 PolarHBondContact SG-SG 2.93Å; C210-C220 WeakPolarHBondContact O-CB 3.11Å; A213-C220 HydrophobicContact CB-CB 4.29Å; C220-I230 CarbonylContact C-O 3.59Å; C220-I230 WeakPolarHBondContact CA-O 3.46Å
221	I	92.3	Very high	87.5	Confident	9 Å²	9	66.1 Å²	66.1	5%	0.046	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	133.9	173.3	-62.5	173.6	0	0	0	108.7	C210 C229 I230 S232 K241 V242 C245	C210-I221 VanDerWaalsContact SG-C 3.51Å; I221-C229 CarbonylContact O-C 3.57Å; I221-C229 WeakPolarHBondContact O-CA 3.4Å; I221-I230 HydrophobicContact CB-CG1 4.14Å; I221-I230 PolarHBondContact N-O 2.85Å; I221-I230 PolarHBondContact O-N 2.81Å; I221-S232 VanDerWaalsContact CD1-OG 3.24Å; I221-S232 WeakPolarHBondContact CD1-OG 3.12Å; I221-K241 HydrophobicContact CD1-CB 3.76Å; I221-V242 HydrophobicContact CD1-CB 4.41Å; I221-V242 HydrophobicContact CD1-CG2 3.47Å; I221-V242 VanDerWaalsContact CD1-CG2 3.47Å; I221-V242 HydrophobicContact CG1-CG2 4.17Å; I221-C245 HydrophobicContact CG2-CB 3.98Å
222	W	93.2	Very high	87.4	Confident	15 Å²	15	60.2 Å²	60.2	6%	0.057	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	127.3	173.9	-178.1	-106.2	0	0	0	111.3	N205 N207 C210 E224 K227 C229 H246	N205-W222 WeakPolarHBondContact O-CH2 3.47Å; N207-W222 VanDerWaalsContact CA-CD2 3.49Å; N207-W222 HydrophobicContact CB-CD2 3.96Å; N207-W222 HydrophobicContact CB-CG 3.79Å; N207-W222 WeakPolarHBondContact OD1-CB 2.88Å; C210-W222 HydrophobicContact CB-CB 4.2Å; C210-W222 HydrophobicContact CB-CD2 4.44Å; C210-W222 HydrophobicContact CB-CE3 3.71Å; W222-E224 VanDerWaalsContact CD1-OE1 3.23Å; W222-E224 PolarHBondContact NE1-OE1 3.14Å; W222-E224 PolarHBondContact NE1-OE2 3.11Å; W222-K227 VanDerWaalsContact CH2-C 3.49Å; W222-K227 HydrophobicContact CZ2-CB 4.38Å; W222-C229 HydrophobicContact CE3-CB 3.91Å; W222-C229 HydrophobicContact CZ3-CB 4.2Å; W222-H246 PolarHBondContact O-CE1 3.23Å
223	C	92.5	Very high	87.1	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	100.4	176.7	-49.4	0	0	0	0	109.5	L47 K225 G226 K227 K228 C245	L47-C223 HydrophobicContact CD1-CB 4.24Å; C223-K225 PolarHBondContact O-N 2.64Å; C223-G226 CarbonylContact O-C 3.58Å; C223-G226 WeakPolarHBondContact O-CA 3.14Å; C223-G226 PolarHBondContact O-N 3.07Å; C223-K227 PolarHBondContact O-N 3.17Å; C223-K228 PolarHBondContact N-O 2.9Å; C223-K228 PolarHBondContact O-N 3.02Å; C223-C245 HydrophobicContact CB-CB 3.61Å; C223-C245 WeakPolarHBondContact CB-SG 3.4Å; C223-C245 WeakPolarHBondContact SG-CB 3.15Å; C223-C245 CovalentContact SG-SG 2.03Å; C223-C245 PolarHBondContact SG-SG 2.84Å
224	E	91.3	Very high	86.9	Confident	94 Å²	94	61.2 Å²	61.2	44%	0.439	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-49.9	-170.5	-71.7	-66.9	178.4	0	0	113	N207 W222 G226 K227	N207-E224 PolarHBondContact ND2-OE1 3.06Å; W222-E224 VanDerWaalsContact CD1-OE1 3.23Å; W222-E224 PolarHBondContact NE1-OE1 3.14Å; W222-E224 PolarHBondContact NE1-OE2 3.11Å; E224-G226 VanDerWaalsContact C-N 3.27Å; E224-G226 PolarHBondContact O-N 2.95Å; E224-K227 WeakPolarHBondContact O-CG 3.27Å; E224-K227 PolarHBondContact O-N 2.79Å
225	K	89.4	Confident	87.2	Confident	129 Å²	129	59.9 Å²	59.9	56%	0.561	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-31.4	178.4	-173.6	170.1	170.9	-167.5	0	112.5	V36 I37 C223	V36-K225 WeakPolarHBondContact O-CE 3.27Å; V36-K225 PolarHBondContact O-NZ 3.15Å; V36-K225 VanDerWaalsContact O-NZ 3.14Å; I37-K225 HydrophobicContact CD1-CB 4.27Å; I37-K225 HydrophobicContact CG2-CB 4.41Å; I37-K225 VanDerWaalsContact O-CD 3.24Å; I37-K225 WeakPolarHBondContact O-CD 3.35Å; I37-K225 WeakPolarHBondContact O-CE 3.48Å; I37-K225 PolarHBondContact O-NZ 2.86Å; C223-K225 PolarHBondContact O-N 2.64Å
226	G	87.9	Confident	87.7	Confident	6 Å²	6	64.6 Å²	64.6	6%	0.062	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-22.9	176.1	0	0	0	0	0	113.7	I37 C223 E224 K228	I37-G226 VanDerWaalsContact CD1-CA 3.49Å; C223-G226 CarbonylContact O-C 3.58Å; C223-G226 WeakPolarHBondContact O-CA 3.14Å; C223-G226 PolarHBondContact O-N 3.07Å; E224-G226 VanDerWaalsContact C-N 3.27Å; E224-G226 PolarHBondContact O-N 2.95Å; G226-K228 PolarHBondContact O-N 2.82Å
227	K	89.2	Confident	88.3	Confident	168 Å²	168	60.1 Å²	60.1	73%	0.73	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.1	41.5	-165.4	-59.2	-175.8	179.1	-177.6	0	112.1	W222 C223 E224	W222-K227 VanDerWaalsContact CH2-C 3.49Å; W222-K227 HydrophobicContact CZ2-CB 4.38Å; C223-K227 PolarHBondContact O-N 3.17Å; E224-K227 WeakPolarHBondContact O-CG 3.27Å; E224-K227 PolarHBondContact O-N 2.79Å
228	K	89.4	Confident	88.6	Confident	64 Å²	64	56.5 Å²	56.5	28%	0.278	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	144.1	-175.8	-78.2	-175.8	178.4	-171.2	0	110.2	L47 H48 C223 G226	L47-K228 HydrophobicContact CD1-CB 4.13Å; L47-K228 HydrophobicContact CD1-CD 4.09Å; H48-K228 PolarHBondContact O-NZ 2.83Å; H48-K228 VanDerWaalsContact O-NZ 3.13Å; C223-K228 PolarHBondContact N-O 2.9Å; C223-K228 PolarHBondContact O-N 3.02Å; G226-K228 PolarHBondContact O-N 2.82Å
229	C	90.8	Very high	88.5	Confident	2 Å²	2	57.5 Å²	57.5	1%	0.014	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	124.3	170.8	-171.3	0	0	0	0	109	C201 S202 Y204 C210 I221 W222	C201-C229 CarbonylContact C-O 3.56Å; C201-C229 VanDerWaalsContact O-CB 3.24Å; C201-C229 WeakPolarHBondContact O-CB 3.33Å; C201-C229 PolarHBondContact O-SG 2.82Å; C201-C229 VanDerWaalsContact O-SG 3.4Å; S202-C229 WeakPolarHBondContact CA-O 3.44Å; S202-C229 PolarHBondContact N-O 3.21Å; Y204-C229 WeakPolarHBondContact O-CB 3.34Å; C210-C229 VanDerWaalsContact CA-SG 3.55Å; C210-C229 HydrophobicContact CB-CB 3.64Å; C210-C229 WeakPolarHBondContact CB-SG 3.34Å; C210-C229 WeakPolarHBondContact SG-CB 3.27Å; C210-C229 CovalentContact SG-SG 2.02Å; C210-C229 PolarHBondContact SG-SG 2.78Å; I221-C229 CarbonylContact O-C 3.57Å; I221-C229 WeakPolarHBondContact O-CA 3.4Å; W222-C229 HydrophobicContact CE3-CB 3.91Å; W222-C229 HydrophobicContact CZ3-CB 4.2Å
230	I	91.6	Very high	88.3	Confident	4 Å²	4	61.4 Å²	61.4	2%	0.021	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	155.1	-177.2	67	170.8	0	0	0	111.5	L47 I197 C220 I221	L47-I230 HydrophobicContact CD2-CG2 4.43Å; I197-I230 HydrophobicContact CD1-CG2 4.37Å; I197-I230 HydrophobicContact CG2-CB 4.26Å; I197-I230 HydrophobicContact CG2-CG2 3.96Å; C220-I230 CarbonylContact C-O 3.59Å; C220-I230 WeakPolarHBondContact CA-O 3.46Å; I221-I230 HydrophobicContact CB-CG1 4.14Å; I221-I230 PolarHBondContact N-O 2.85Å; I221-I230 PolarHBondContact O-N 2.81Å
231	E	91.4	Very high	88.2	Confident	25 Å²	25	60.9 Å²	60.9	12%	0.117	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	143.7	175.8	-64.7	-172.9	-161.2	0	0	112.5	G198 E199 I200 C201 T218 T219 N233 K241	G198-E231 WeakPolarHBondContact CA-OE1 3.37Å; E199-E231 PolarHBondContact N-OE1 2.86Å; I200-E231 VanDerWaalsContact CB-OE1 3.27Å; I200-E231 WeakPolarHBondContact CB-OE1 3.4Å; I200-E231 PolarHBondContact N-OE1 2.98Å; C201-E231 HydrophobicContact CB-CG 3.73Å; C201-E231 VanDerWaalsContact SG-CG 3.58Å; T218-E231 HydrophobicContact CG2-CB 4.19Å; T218-E231 HydrophobicContact CG2-CG 3.64Å; T219-E231 CarbonylContact O-C 3.57Å; E231-N233 PolarHBondContact OE2-ND2 3.01Å; E231-K241 PolarHBondContact O-NZ 3.14Å
232	S	88.8	Confident	88	Confident	2 Å²	2	62.4 Å²	62.4	1%	0.014	31%	0.305	C	S	.	.			trans	-139.4	58.1	-177.9	-162.4	0	0	0	0	111.5	T219 I221 H238	T219-S232 WeakPolarHBondContact CB-O 3.42Å; T219-S232 PolarHBondContact O-N 2.92Å; I221-S232 VanDerWaalsContact CD1-OG 3.24Å; I221-S232 WeakPolarHBondContact CD1-OG 3.12Å; S232-H238 WeakPolarHBondContact CB-ND1 3.44Å; S232-H238 WeakPolarHBondContact OG-CA 3.42Å; S232-H238 PolarHBondContact OG-ND1 3.47Å
233	N	82.1	Confident	87.8	Confident	77 Å²	77	66.8 Å²	66.8	41%	0.412	33%	0.329	S	S	.	.			trans	-80.8	-26	-172	-55.2	-29.2	0	0	0	113.3	T218 T219 E231 Q235	T218-N233 VanDerWaalsContact CA-OD1 3.27Å; T218-N233 WeakPolarHBondContact CA-OD1 3.43Å; T218-N233 WeakPolarHBondContact CG2-OD1 3.32Å; T219-N233 PolarHBondContact N-OD1 3.4Å; E231-N233 PolarHBondContact OE2-ND2 3.01Å; N233-Q235 PolarHBondContact O-N 2.69Å
234	N	82.3	Confident	87.7	Confident	76 Å²	76	67.1 Å²	67.1	41%	0.406	33%	0.331	S	S	.	.			trans	-86.1	113	177.4	179.5	-9.4	0	0	0	110	D236 T237 H238	N234-D236 PolarHBondContact O-N 2.81Å; N234-D236 WeakPolarHBondContact OD1-CB 3.09Å; N234-D236 PolarHBondContact OD1-N 2.75Å; N234-T237 WeakPolarHBondContact CB-OG1 3.41Å; N234-T237 PolarHBondContact O-N 3.23Å; N234-T237 VanDerWaalsContact O-N 3.12Å; N234-T237 PolarHBondContact O-OG1 2.82Å; N234-T237 VanDerWaalsContact O-OG1 3.05Å; N234-H238 PolarHBondContact O-N 2.89Å
235	Q	82.6	Confident	87.5	Confident	178 Å²	178	62.9 Å²	62.9	83%	0.832	31%	0.312	S	S	*	.	H	α-helix	trans	-55.4	-37.6	179.5	-68.7	-174.8	-16.9	0	0	112.7	N233 T237 H238	N233-Q235 PolarHBondContact O-N 2.69Å; Q235-T237 VanDerWaalsContact C-N 3.27Å; Q235-T237 PolarHBondContact O-N 2.9Å; Q235-H238 WeakPolarHBondContact O-CB 3.22Å; Q235-H238 PolarHBondContact O-N 3.27Å
236	D	83.8	Confident	87.2	Confident	138 Å²	138	60.7 Å²	60.7	74%	0.738	30%	0.303	S	S	*	.	H	α-helix	trans	-66.9	-31.2	-178.4	-59.5	-31.8	0	0	0	112.1	N234	N234-D236 PolarHBondContact O-N 2.81Å; N234-D236 WeakPolarHBondContact OD1-CB 3.09Å; N234-D236 PolarHBondContact OD1-N 2.75Å
237	T	84.7	Confident	86.3	Confident	24 Å²	24	63.3 Å²	63.3	15%	0.147	32%	0.318	C	S	.	.	H	α-helix	trans	-98.9	-7.2	-179.5	64.7	0	0	0	0	113.2	N234 Q235 G239 W240 K241	N234-T237 WeakPolarHBondContact CB-OG1 3.41Å; N234-T237 PolarHBondContact O-N 3.23Å; N234-T237 VanDerWaalsContact O-N 3.12Å; N234-T237 PolarHBondContact O-OG1 2.82Å; N234-T237 VanDerWaalsContact O-OG1 3.05Å; Q235-T237 VanDerWaalsContact C-N 3.27Å; Q235-T237 PolarHBondContact O-N 2.9Å; T237-G239 PolarHBondContact O-N 3.28Å; T237-W240 PolarHBondContact O-N 3.15Å; T237-K241 PolarHBondContact O-N 3.25Å
238	H	87	Confident	84.8	Confident	66 Å²	66	63.7 Å²	63.7	31%	0.306	32%	0.322	S	S	.	.	H	α-helix	trans	-59.2	-51.8	-171.4	178.2	82.6	0	0	0	111.6	S232 N234 Q235 W240 K241 V242	S232-H238 WeakPolarHBondContact CB-ND1 3.44Å; S232-H238 WeakPolarHBondContact OG-CA 3.42Å; S232-H238 PolarHBondContact OG-ND1 3.47Å; N234-H238 PolarHBondContact O-N 2.89Å; Q235-H238 WeakPolarHBondContact O-CB 3.22Å; Q235-H238 PolarHBondContact O-N 3.27Å; H238-W240 VanDerWaalsContact C-N 3.28Å; H238-W240 PolarHBondContact O-N 3.01Å; H238-K241 PolarHBondContact O-N 3.29Å; H238-K241 VanDerWaalsContact O-N 3.17Å; H238-V242 WeakPolarHBondContact O-CG2 3.46Å; H238-V242 PolarHBondContact O-N 3.43Å
239	G	86.2	Confident	82.8	Confident	38 Å²	38	66.3 Å²	66.3	39%	0.392	34%	0.338	S	S	.	.	H	α-helix	trans	-59.8	-37.5	180	0	0	0	0	0	113	T237 V242 N243	T237-G239 PolarHBondContact O-N 3.28Å; G239-V242 PolarHBondContact O-N 2.85Å; G239-N243 VanDerWaalsContact O-CG 3.29Å; G239-N243 PolarHBondContact O-N 2.94Å; G239-N243 VanDerWaalsContact O-N 3.1Å; G239-N243 PolarHBondContact O-ND2 3.38Å
240	W	86.6	Confident	80.4	Confident	152 Å²	152	74.9 Å²	74.9	58%	0.576	38%	0.378	S	S	*	.	H	α-helix	trans	-67.3	-42.3	176.7	-63.4	-9.7	0	0	0	112	T237 H238 V242 N243 D244	T237-W240 PolarHBondContact O-N 3.15Å; H238-W240 VanDerWaalsContact C-N 3.28Å; H238-W240 PolarHBondContact O-N 3.01Å; W240-V242 VanDerWaalsContact C-N 3.33Å; W240-V242 PolarHBondContact O-N 3.22Å; W240-N243 PolarHBondContact O-N 3.44Å; W240-D244 WeakPolarHBondContact O-CB 3.32Å; W240-D244 PolarHBondContact O-N 2.86Å
241	K	88.8	Confident	78.1	Confident	11 Å²	11	84 Å²	84	5%	0.048	41%	0.414	C	S	.	.	H	α-helix	trans	-63.7	-37.4	176.1	-73.6	-178.8	171.7	-177	0	113	E195 I221 E231 T237 H238 D244 C245	E195-K241 VanDerWaalsContact CD-NZ 3.3Å; E195-K241 WeakPolarHBondContact OE1-CE 3.44Å; E195-K241 IonicContact OE1-NZ 2.62Å; E195-K241 PolarHBondContact OE1-NZ 3.13Å; E195-K241 WeakPolarHBondContact OE2-CE 3.38Å; E195-K241 IonicContact OE2-NZ 3.52Å; I221-K241 HydrophobicContact CD1-CB 3.76Å; E231-K241 PolarHBondContact O-NZ 3.14Å; T237-K241 PolarHBondContact O-N 3.25Å; H238-K241 PolarHBondContact O-N 3.29Å; H238-K241 VanDerWaalsContact O-N 3.17Å; K241-D244 PolarHBondContact O-N 2.78Å; K241-C245 WeakPolarHBondContact O-CB 3.08Å; K241-C245 PolarHBondContact O-N 3.48Å
242	V	88.9	Confident	75.5	Confident	41 Å²	41	86.2 Å²	86.2	25%	0.248	44%	0.443	C	S	.	.	H	α-helix	trans	-59.9	-53.2	173.4	173.5	0	0	0	0	109.2	I221 H238 G239 W240 D244 C245 H246	I221-V242 HydrophobicContact CD1-CB 4.41Å; I221-V242 HydrophobicContact CD1-CG2 3.47Å; I221-V242 VanDerWaalsContact CD1-CG2 3.47Å; I221-V242 HydrophobicContact CG1-CG2 4.17Å; H238-V242 WeakPolarHBondContact O-CG2 3.46Å; H238-V242 PolarHBondContact O-N 3.43Å; G239-V242 PolarHBondContact O-N 2.85Å; W240-V242 VanDerWaalsContact C-N 3.33Å; W240-V242 PolarHBondContact O-N 3.22Å; V242-D244 VanDerWaalsContact C-N 3.29Å; V242-D244 PolarHBondContact O-N 3.17Å; V242-C245 PolarHBondContact O-N 2.95Å; V242-C245 VanDerWaalsContact O-N 3.09Å; V242-H246 WeakPolarHBondContact O-CB 3.26Å; V242-H246 PolarHBondContact O-CD2 2.87Å; V242-H246 PolarHBondContact O-N 2.9Å
243	N	88.2	Confident	73	Confident	107 Å²	107	94.9 Å²	94.9	57%	0.572	48%	0.476	S	S	*	.	H	α-helix	trans	-61.8	-37.5	-179.6	-66.4	-14.6	0	0	0	112.7	G239 W240 C245 H246	G239-N243 VanDerWaalsContact O-CG 3.29Å; G239-N243 PolarHBondContact O-N 2.94Å; G239-N243 VanDerWaalsContact O-N 3.1Å; G239-N243 PolarHBondContact O-ND2 3.38Å; W240-N243 PolarHBondContact O-N 3.44Å; N243-C245 PolarHBondContact O-N 2.78Å; N243-H246 CarbonylContact O-C 3.6Å
244	D	89.7	Confident	70.8	Confident	8 Å²	8	102 Å²	102	4%	0.043	50%	0.498	C	S	.	.	H	α-helix	trans	-61.8	-31.4	177	-79.7	-19.7	0	0	0	112.7	I37 Y43 Y45 R54 W240 K241 V242	I37-D244 WeakPolarHBondContact CG2-O 3.28Å; Y43-D244 WeakPolarHBondContact CE1-OD1 3.23Å; Y43-D244 VanDerWaalsContact CZ-OD1 3.24Å; Y43-D244 PolarHBondContact OH-OD1 3.44Å; Y43-D244 PolarHBondContact OH-OD2 2.93Å; Y43-D244 VanDerWaalsContact OH-OD2 3.13Å; Y45-D244 HydrophobicContact CD1-CB 3.6Å; Y45-D244 HydrophobicContact CD2-CB 4.35Å; Y45-D244 HydrophobicContact CE1-CB 3.7Å; Y45-D244 HydrophobicContact CE2-CB 4.41Å; Y45-D244 HydrophobicContact CG-CB 3.95Å; R54-D244 IonicContact CZ-OD2 2.92Å; R54-D244 VanDerWaalsContact CZ-OD2 3.29Å; R54-D244 IonicContact NE-OD2 3.26Å; R54-D244 PolarHBondContact NE-OD2 2.88Å; R54-D244 IonicContact NH2-OD2 2.64Å; R54-D244 PolarHBondContact NH2-OD2 3.29Å; W240-D244 WeakPolarHBondContact O-CB 3.32Å; W240-D244 PolarHBondContact O-N 2.86Å; K241-D244 PolarHBondContact O-N 2.78Å; V242-D244 VanDerWaalsContact C-N 3.29Å; V242-D244 PolarHBondContact O-N 3.17Å
245	C	88.9	Confident	68.6	Low	4 Å²	4	104.1 Å²	104.1	3%	0.027	51%	0.509	C	S	.	.	H	α-helix	trans	-97	-26.9	-177.4	-77	0	0	0	0	113.8	I221 C223 K241 V242 N243	I221-C245 HydrophobicContact CG2-CB 3.98Å; C223-C245 HydrophobicContact CB-CB 3.61Å; C223-C245 WeakPolarHBondContact CB-SG 3.4Å; C223-C245 WeakPolarHBondContact SG-CB 3.15Å; C223-C245 CovalentContact SG-SG 2.03Å; C223-C245 PolarHBondContact SG-SG 2.84Å; K241-C245 WeakPolarHBondContact O-CB 3.08Å; K241-C245 PolarHBondContact O-N 3.48Å; V242-C245 PolarHBondContact O-N 2.95Å; V242-C245 VanDerWaalsContact O-N 3.09Å; N243-C245 PolarHBondContact O-N 2.78Å
246	H	82.6	Confident	66.4	Low	84 Å²	84	103.4 Å²	103.4	39%	0.389	51%	0.511	S	S	.	.			trans	-106.8	63	178.1	-62.7	-72	0	0	0	110.9	W222 V242 N243 E248	W222-H246 PolarHBondContact O-CE1 3.23Å; V242-H246 WeakPolarHBondContact O-CB 3.26Å; V242-H246 PolarHBondContact O-CD2 2.87Å; V242-H246 PolarHBondContact O-N 2.9Å; N243-H246 CarbonylContact O-C 3.6Å; H246-E248 PolarHBondContact O-N 3.22Å; H246-E248 VanDerWaalsContact O-N 3.16Å
247	V	69.2	Low	64	Low	61 Å²	61	98.9 Å²	98.9	37%	0.37	50%	0.497	S	S	.	.			trans	-80.6	95.2	167.1	-178.2	0	0	0	0	107.6	I38 I249	I38-V247 HydrophobicContact CB-CG2 3.95Å; I38-V247 HydrophobicContact CD1-CG1 4.02Å; I38-V247 HydrophobicContact CD1-CG2 3.77Å; I38-V247 HydrophobicContact CG1-CG2 4.37Å; I38-V247 HydrophobicContact CG2-CG2 4.21Å; V247-I249 PolarHBondContact O-N 2.79Å; V247-I249 VanDerWaalsContact O-N 3.09Å
248	E	56.6	Low	61.7	Low	175 Å²	175	109.1 Å²	109.1	82%	0.818	53%	0.533	S	S	*	.			trans	-63.6	107.1	162.2	-69.7	-174.6	176.8	0	0	107.1	H246 E250	H246-E248 PolarHBondContact O-N 3.22Å; H246-E248 VanDerWaalsContact O-N 3.16Å; E248-E250 VanDerWaalsContact C-N 3.33Å; E248-E250 PolarHBondContact O-N 2.76Å
249	I	48.2	Very low	59.6	Low	119 Å²	119	119.3 Å²	119.3	61%	0.61	58%	0.576	S	S	*	*			trans	-67.8	102.6	164	-60.9	175.8	0	0	0	104.8	V247 Y251	V247-I249 PolarHBondContact O-N 2.79Å; V247-I249 VanDerWaalsContact O-N 3.09Å; I249-Y251 HydrophobicContact CG2-CD2 4.11Å; I249-Y251 HydrophobicContact CG2-CE2 4.21Å; I249-Y251 PolarHBondContact O-N 2.97Å
250	E	39.6	Very low	58.2	Low	182 Å²	182	123.4 Å²	123.4	85%	0.85	59%	0.585	S	S	*	*			trans	-56.3	98.3	159.2	-80.8	-170.4	162.6	0	0	106.8	E248 G252	E248-E250 VanDerWaalsContact C-N 3.33Å; E248-E250 PolarHBondContact O-N 2.76Å; E250-G252 PolarHBondContact O-N 3.28Å
251	Y	43.9	Very low	56.7	Low	197 Å²	197	121.8 Å²	121.8	77%	0.773	59%	0.586	S	S	*	*			trans	-67.5	81	160.8	-86.9	-85.7	0	0	0	106.9	I249 Y253	I249-Y251 HydrophobicContact CG2-CD2 4.11Å; I249-Y251 HydrophobicContact CG2-CE2 4.21Å; I249-Y251 PolarHBondContact O-N 2.97Å; Y251-Y253 PolarHBondContact O-N 3.14Å
252	G	36.1	Very low	55	Low	71 Å²	71	128 Å²	128	73%	0.732	62%	0.616	S	S	*	*			trans	-69.8	54.9	162.9	0	0	0	0	0	110.6	E250 R254	E250-G252 PolarHBondContact O-N 3.28Å; G252-R254 VanDerWaalsContact C-N 3.25Å; G252-R254 PolarHBondContact O-N 3.1Å
253	Y	37	Very low	53	Low	183 Å²	183	133.1 Å²	133.1	72%	0.718	64%	0.637	S	S	*	*			trans	-79.6	83.4	166.4	-144.8	-92.7	0	0	0	107.2	Y251 D255	Y251-Y253 PolarHBondContact O-N 3.14Å; Y253-D255 HydrophobicContact CD1-CB 3.96Å; Y253-D255 HydrophobicContact CE1-CB 4.24Å; Y253-D255 PolarHBondContact O-N 3.37Å
254	R	36.6	Very low	50.8	Low	227 Å²	227	134.8 Å²	134.8	86%	0.857	64%	0.641	S	S	*	*			trans	-67.3	91.6	156.7	-80.1	-175.9	175.7	176.2	-0.5	106.5	G252 N256	G252-R254 VanDerWaalsContact C-N 3.25Å; G252-R254 PolarHBondContact O-N 3.1Å; R254-N256 PolarHBondContact O-N 3.07Å
255	D	36	Very low	48.2	Very low	120 Å²	120	143.2 Å²	143.2	64%	0.642	68%	0.681	S	S	*	*			trans	-69.7	80.3	168	-144	1	0	0	0	108	Y253 G257	Y253-D255 HydrophobicContact CD1-CB 3.96Å; Y253-D255 HydrophobicContact CE1-CB 4.24Å; Y253-D255 PolarHBondContact O-N 3.37Å; D255-G257 PolarHBondContact O-N 2.79Å
256	N	36.8	Very low	45.3	Very low	163 Å²	163	153.1 Å²	153.1	87%	0.872	73%	0.728	S	S	*	*			trans	-76.9	78.2	160.3	-90.2	-5.9	0	0	0	106.9	R254	R254-N256 PolarHBondContact O-N 3.07Å
257	G	32.6	Very low	42.4	Very low	43 Å²	43	158.5 Å²	158.5	44%	0.443	75%	0.754	S	S	.	*			trans	-163.5	82.1	-176.4	0	0	0	0	0	114.1	D255	D255-G257 PolarHBondContact O-N 2.79Å
258	R	37.3	Very low	40.1	Very low	240 Å²	240	166.6 Å²	166.6	91%	0.906	79%	0.786	S	S	*	*				171.2	124	113	-94.6	170.3	-174.1	164.9	4.6	113.1
259	K	41.2	Very low	38.7	Very low	279 Å²	279	165.8 Å²	165.8	100%	1.213	78%	0.783	S	S	*	*			trans	60.3	0	148.8	-71.3	-173.5	175.9	-177.7	0	118.7

Retrieved 259 of 259 residues in 334.5 ms (Link to these results)

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