A0A087X2Z5_POEFO Loading...

Pachytene checkpoint protein 2 homolog

Plays a key role in chromosome recombination and chromosome structure development during meiosis. Required at early steps in meiotic recombination that leads to non-crossovers pathways. Also needed for efficient completion of homologous synapsis by influencing crossover distribution along the chromosomes affecting both crossovers and non-crossovers pathways.

AlphaFold DB , UniProt , Accession A0A087X2Z5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 424 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	T	41.6	Very low	34.6	Very low	193 Å²	193	172.3 Å²	172.3	100%	1.184	87%	0.874	S	S	*	*				0	101.2	0	-5	0	0	0	0	108.9
2	R	34.6	Very low	35.3	Very low	246 Å²	246	167.6 Å²	167.6	93%	0.928	86%	0.864	S	S	*	*			trans	163.7	95.7	144.7	-94.3	176.8	177.3	178.9	-0.7	107.5
3	M	34	Very low	36.5	Very low	193 Å²	193	164.7 Å²	164.7	95%	0.951	85%	0.849	S	S	*	*			trans	-72.3	116.2	156.8	-66.6	-179.1	-171.5	0	0	106	G5	M3-G5 PolarHBondContact O-N 3.36Å
4	E	33.6	Very low	38.5	Very low	197 Å²	197	158.3 Å²	158.3	92%	0.921	81%	0.813	S	S	*	*			trans	-78.8	105.8	158.6	-82.5	175.9	157.3	0	0	106.2
5	G	33.1	Very low	40.9	Very low	65 Å²	65	153 Å²	153	67%	0.67	79%	0.787	S	S	*	*			trans	-73.5	125	170.4	0	0	0	0	0	109.1	M3 R7	M3-G5 PolarHBondContact O-N 3.36Å; G5-R7 PolarHBondContact O-N 3.39Å
6	D	34.1	Very low	43.5	Very low	166 Å²	166	143.7 Å²	143.7	89%	0.888	74%	0.739	S	S	*	*			trans	-46.8	103.3	160.3	-95.9	-26.3	0	0	0	109	M8	D6-M8 VanDerWaalsContact C-N 3.32Å; D6-M8 PolarHBondContact O-N 3.45Å; D6-M8 VanDerWaalsContact O-N 3.16Å
7	R	34	Very low	46.1	Very low	237 Å²	237	137.5 Å²	137.5	89%	0.894	71%	0.707	S	S	*	*			trans	-76.8	94.5	159.7	-74.5	-177.1	176.9	-176.5	-1.1	105.7	G5 E9	G5-R7 PolarHBondContact O-N 3.39Å; R7-E9 PolarHBondContact O-N 3.31Å
8	M	33.1	Very low	48.5	Very low	173 Å²	173	129.9 Å²	129.9	85%	0.852	67%	0.668	S	S	*	*			trans	-50.8	109.9	158.2	-82	178.1	170.2	0	0	107.4	D6 V10	D6-M8 VanDerWaalsContact C-N 3.32Å; D6-M8 PolarHBondContact O-N 3.45Å; D6-M8 VanDerWaalsContact O-N 3.16Å; M8-V10 VanDerWaalsContact C-N 3.32Å; M8-V10 PolarHBondContact O-N 3.05Å
9	E	32.1	Very low	50.8	Low	184 Å²	184	123.7 Å²	123.7	86%	0.86	64%	0.635	S	S	*	*			trans	-60.1	100.9	162.6	-77.6	-176.7	155.7	0	0	106.7	R7 T11	R7-E9 PolarHBondContact O-N 3.31Å; E9-T11 VanDerWaalsContact C-N 3.28Å; E9-T11 PolarHBondContact O-N 3.19Å
10	V	32.7	Very low	52.9	Low	127 Å²	127	117.5 Å²	117.5	77%	0.77	60%	0.603	S	S	*	*			trans	-68.1	96.2	168.3	-175.4	0	0	0	0	105.5	M8 P12	M8-V10 VanDerWaalsContact C-N 3.32Å; M8-V10 PolarHBondContact O-N 3.05Å; V10-P12 VanDerWaalsContact O-N 3.16Å
11	T	37.6	Very low	54.8	Low	114 Å²	114	112.7 Å²	112.7	70%	0.699	58%	0.578	S	S	*	*			trans	-52.4	121.3	167.1	43.5	0	0	0	0	107.1	E9 I13	E9-T11 VanDerWaalsContact C-N 3.28Å; E9-T11 PolarHBondContact O-N 3.19Å; T11-I13 PolarHBondContact O-N 2.82Å
12	P	43.7	Very low	57.2	Low	116 Å²	116	103.8 Å²	103.8	75%	0.753	52%	0.524	S	S	*	.			trans	-58.3	127.2	-178.4	22.8	-31.2	0	0	0	108.2	V10 Q14	V10-P12 VanDerWaalsContact O-N 3.16Å; P12-Q14 PolarHBondContact O-N 3.1Å
13	I	50.1	Low	59.9	Low	130 Å²	130	95.5 Å²	95.5	67%	0.667	50%	0.495	S	S	*	.			trans	-58.7	106.7	174.9	-60.2	167.9	0	0	0	106.3	T11 N15 D87	T11-I13 PolarHBondContact O-N 2.82Å; I13-N15 PolarHBondContact O-N 3.35Å; I13-D87 HydrophobicContact CG2-CB 4Å
14	Q	65.1	Low	62.2	Low	75 Å²	75	89.6 Å²	89.6	35%	0.35	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-77.7	117.8	-177.5	-151.8	172.3	-3.8	0	0	107.4	P12 I16 T76 C86 D87	P12-Q14 PolarHBondContact O-N 3.1Å; Q14-I16 PolarHBondContact O-N 3.47Å; Q14-T76 VanDerWaalsContact NE2-CG2 3.32Å; Q14-T76 PolarHBondContact NE2-OG1 3.09Å; Q14-C86 WeakPolarHBondContact O-CB 3.48Å; Q14-D87 PolarHBondContact O-N 3.24Å
15	N	74.1	Confident	64.7	Low	79 Å²	79	88.5 Å²	88.5	42%	0.422	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	117.3	177	-161.4	-12.6	0	0	0	108.4	I13 D87 S89	I13-N15 PolarHBondContact O-N 3.35Å; N15-D87 CarbonylContact C-O 3.6Å; N15-D87 WeakPolarHBondContact CA-O 3.44Å; N15-D87 PolarHBondContact OD1-O 3.48Å; N15-S89 PolarHBondContact OD1-OG 3.28Å
16	I	83.1	Confident	67.3	Low	4 Å²	4	86.7 Å²	86.7	2%	0.021	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	130.6	-178.3	-61.3	177.6	0	0	0	108.5	Q14 V18 I70 L72 L81 L83 C86 D87 S89	Q14-I16 PolarHBondContact O-N 3.47Å; I16-V18 HydrophobicContact CG2-CG2 4.23Å; I16-I70 HydrophobicContact CG2-CG2 3.82Å; I16-L72 HydrophobicContact CD1-CD2 4.31Å; I16-L72 HydrophobicContact CG1-CD2 4.26Å; I16-L72 HydrophobicContact CG2-CD2 4.13Å; I16-L81 HydrophobicContact CD1-CD2 4.2Å; I16-L83 HydrophobicContact CD1-CD2 3.65Å; I16-C86 HydrophobicContact CD1-CB 3.48Å; I16-C86 VanDerWaalsContact CD1-CB 3.48Å; I16-C86 HydrophobicContact CG1-CB 3.91Å; I16-D87 PolarHBondContact N-O 3.02Å; I16-S89 PolarHBondContact O-N 2.86Å
17	H	87.4	Confident	69.8	Low	39 Å²	39	85.1 Å²	85.1	18%	0.181	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	127.6	174.6	-62.5	-63	0	0	0	110.5	D71 H91 R191	H17-D71 PolarHBondContact O-N 2.9Å; H17-H91 AromaticContact ND1-NE2 3.32Å; H17-H91 PolarHBondContact ND1-NE2 2.91Å; H17-R191 PolarHBondContact CD2-NH1 3.38Å
18	V	89.4	Confident	72.4	Confident	1 Å²	1	74.9 Å²	74.9	1%	0.006	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	125.1	177.8	-175.6	0	0	0	0	108.7	I16 V20 V37 L41 V68 V69 I70 V88 S89 I90 H91	I16-V18 HydrophobicContact CG2-CG2 4.23Å; V18-V20 HydrophobicContact CG1-CG2 4.34Å; V18-V37 HydrophobicContact CG1-CG1 4.32Å; V18-L41 HydrophobicContact CG1-CD1 4.41Å; V18-L41 HydrophobicContact CG2-CD1 4Å; V18-V68 HydrophobicContact CG1-CG1 3.61Å; V18-V69 WeakPolarHBondContact CA-O 3.42Å; V18-I70 HydrophobicContact CG1-CG1 4.5Å; V18-I70 HydrophobicContact CG2-CG1 4.02Å; V18-V88 HydrophobicContact CB-CG1 4.49Å; V18-V88 HydrophobicContact CG2-CG1 3.62Å; V18-S89 PolarHBondContact N-O 3.4Å; V18-I90 HydrophobicContact CB-CG1 4.41Å; V18-H91 PolarHBondContact O-N 3.23Å
19	E	92.2	Very high	75	Confident	11 Å²	11	72.9 Å²	72.9	5%	0.051	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	124.4	-177.1	-67.3	173.3	-165.8	0	0	108.7	V68 V69 F93 K187 I190 R191	E19-V68 CarbonylContact O-C 3.6Å; E19-V68 WeakPolarHBondContact O-CA 3.47Å; E19-V69 PolarHBondContact N-O 3.19Å; E19-V69 PolarHBondContact O-N 2.97Å; E19-F93 HydrophobicContact CB-CE1 4.12Å; E19-K187 WeakPolarHBondContact OE1-CE 3.44Å; E19-K187 IonicContact OE1-NZ 2.87Å; E19-K187 PolarHBondContact OE1-NZ 3.44Å; E19-K187 IonicContact OE2-NZ 3.82Å; E19-K187 PolarHBondContact OE2-NZ 3.06Å; E19-I190 HydrophobicContact CB-CG2 4.34Å; E19-I190 HydrophobicContact CG-CG2 3.83Å; E19-R191 IonicContact OE1-CZ 3.81Å; E19-R191 VanDerWaalsContact OE1-CZ 3.31Å; E19-R191 IonicContact OE1-NE 2.8Å; E19-R191 PolarHBondContact OE1-NE 3.48Å; E19-R191 IonicContact OE1-NH2 2.62Å; E19-R191 PolarHBondContact OE1-NH2 2.66Å
20	V	92.8	Very high	77.6	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	108.4	-174.1	-176.8	0	0	0	0	109	V18 V22 V33 V37 V65 V68 I90 H91 V92 F93	V18-V20 HydrophobicContact CG1-CG2 4.34Å; V20-V22 HydrophobicContact CG1-CG2 4.33Å; V20-V33 HydrophobicContact CG1-CG1 3.71Å; V20-V37 HydrophobicContact CG1-CG2 4.03Å; V20-V37 HydrophobicContact CG2-CB 4.4Å; V20-V37 HydrophobicContact CG2-CG1 3.94Å; V20-V37 HydrophobicContact CG2-CG2 3.93Å; V20-V65 HydrophobicContact CG1-CG1 3.85Å; V20-V65 HydrophobicContact CG1-CG2 4.14Å; V20-V68 HydrophobicContact CG1-CG2 4.25Å; V20-V68 HydrophobicContact CG2-CG1 4.38Å; V20-V68 HydrophobicContact CG2-CG2 4.36Å; V20-I90 HydrophobicContact CG2-CG2 3.62Å; V20-H91 PolarHBondContact N-O 3.15Å; V20-V92 HydrophobicContact CB-CG2 4.25Å; V20-F93 VanDerWaalsContact O-CD1 3.29Å; V20-F93 WeakPolarHBondContact O-CD1 3.49Å; V20-F93 PolarHBondContact O-N 3.13Å
21	H	92.7	Very high	80.3	Confident	16 Å²	16	65.5 Å²	65.5	7%	0.074	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	113.9	174.3	-179.5	-146.8	0	0	0	109.8	V65 D66 S67 F93 L95	H21-V65 WeakPolarHBondContact O-CG1 3.28Å; H21-D66 IonicContact CE1-OD2 3.96Å; H21-D66 PolarHBondContact CE1-OD2 3.4Å; H21-D66 WeakPolarHBondContact ND1-CB 3.36Å; H21-D66 IonicContact ND1-OD2 3.44Å; H21-D66 PolarHBondContact ND1-OD2 2.75Å; H21-D66 PolarHBondContact O-N 2.97Å; H21-S67 PolarHBondContact N-O 3.2Å; H21-S67 PolarHBondContact O-N 3.35Å; H21-F93 HydrophobicContact CB-CE1 4.26Å; H21-F93 HydrophobicContact CB-CE2 4.16Å; H21-F93 HydrophobicContact CB-CZ 3.77Å; H21-F93 AromaticContact CD2-CE2 3.92Å; H21-L95 VanDerWaalsContact NE2-CD1 3.33Å; H21-L95 WeakPolarHBondContact NE2-CD1 3.38Å; H21-L95 WeakPolarHBondContact NE2-CG 3.41Å
22	V	92.2	Very high	82.8	Confident	7 Å²	7	63.7 Å²	63.7	4%	0.042	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	138.4	177.3	177.2	0	0	0	0	109.7	V20 V33 H64 V92 F93 T94	V20-V22 HydrophobicContact CG1-CG2 4.33Å; V22-V33 HydrophobicContact CG2-CG1 4.13Å; V22-V33 HydrophobicContact CG2-CG2 4.4Å; V22-H64 WeakPolarHBondContact CG1-O 3.48Å; V22-V92 HydrophobicContact CG2-CG1 3.42Å; V22-V92 VanDerWaalsContact CG2-CG1 3.42Å; V22-F93 PolarHBondContact N-O 2.91Å; V22-T94 HydrophobicContact CB-CG2 3.83Å; V22-T94 HydrophobicContact CG1-CG2 4.05Å
23	K	90.2	Very high	85.1	Confident	72 Å²	72	58.2 Å²	58.2	31%	0.313	32%	0.318	S	S	.	.			trans	-62.7	137.5	178.4	-65.5	176	179.6	174.3	0	110.6	L25 S26 H62 H64 V65 D66	K23-L25 PolarHBondContact O-N 3.16Å; K23-L25 VanDerWaalsContact O-N 3.11Å; K23-S26 WeakPolarHBondContact O-CB 3.37Å; K23-S26 PolarHBondContact O-N 3.13Å; K23-H62 PolarHBondContact NZ-O 3.32Å; K23-H64 PolarHBondContact N-O 2.98Å; K23-V65 WeakPolarHBondContact CE-O 3.27Å; K23-D66 HydrophobicContact CG-CB 3.92Å
24	S	83.8	Confident	87	Confident	69 Å²	69	55 Å²	55	48%	0.483	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-25.2	-175.4	-39.4	0	0	0	0	114.4	S26	S24-S26 VanDerWaalsContact C-N 3.31Å
25	L	85.8	Confident	88.2	Confident	174 Å²	174	57.5 Å²	57.5	91%	0.911	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-1.4	176	-65.4	171.3	0	0	0	113.8	K23	K23-L25 PolarHBondContact O-N 3.16Å; K23-L25 VanDerWaalsContact O-N 3.11Å
26	S	87.4	Confident	89	Confident	26 Å²	26	56.3 Å²	56.3	18%	0.182	31%	0.305	C	S	.	.			trans	-77.5	133	-178.1	-177.3	0	0	0	0	111.3	K23 S24 A28 H64	K23-S26 WeakPolarHBondContact O-CB 3.37Å; K23-S26 PolarHBondContact O-N 3.13Å; S24-S26 VanDerWaalsContact C-N 3.31Å; S26-A28 WeakPolarHBondContact OG-CB 3.32Å; S26-A28 PolarHBondContact OG-N 3.44Å; S26-H64 WeakPolarHBondContact OG-CB 3.38Å; S26-H64 PolarHBondContact OG-ND1 3.14Å
27	T	86.6	Confident	89.3	Confident	134 Å²	134	56.1 Å²	56.1	82%	0.822	30%	0.304	S	S	*	.			trans	-101.7	10.2	172.5	55.5	0	0	0	0	113
28	A	87.6	Confident	89.3	Confident	21 Å²	21	57.3 Å²	57.3	17%	0.174	31%	0.309	C	S	.	.			trans	-67	141.2	-177.2	0	0	0	0	0	111.7	S26 V33 F60 H64	S26-A28 WeakPolarHBondContact OG-CB 3.32Å; S26-A28 PolarHBondContact OG-N 3.44Å; A28-V33 HydrophobicContact CB-CG2 4Å; A28-F60 HydrophobicContact CB-CE2 4.44Å; A28-F60 HydrophobicContact CB-CZ 3.82Å; A28-H64 HydrophobicContact CB-CB 4.24Å
29	K	89.2	Confident	89.3	Confident	131 Å²	131	59.4 Å²	59.4	57%	0.57	33%	0.327	S	S	*	.			trans	-72.2	142.1	176	-68.3	178.8	-179.5	175.1	0	110.3	S31 E32 V33	K29-S31 PolarHBondContact O-N 3.44Å; K29-S31 VanDerWaalsContact O-N 3.13Å; K29-E32 HydrophobicContact CB-CG 4.34Å; K29-E32 PolarHBondContact O-N 3.04Å; K29-V33 PolarHBondContact O-N 3.33Å
30	P	86.6	Confident	89	Confident	79 Å²	79	59.4 Å²	59.4	51%	0.513	33%	0.327	S	S	.	.	H	α-helix	trans	-56.3	-32.6	177.9	-27.3	34.7	0	0	0	113.9	V33 K34 V92	P30-V33 PolarHBondContact O-N 3.27Å; P30-K34 WeakPolarHBondContact O-CB 3.43Å; P30-K34 VanDerWaalsContact O-CG 3.29Å; P30-K34 WeakPolarHBondContact O-CG 3.38Å; P30-K34 PolarHBondContact O-N 3.15Å; P30-V92 HydrophobicContact CB-CB 4.5Å; P30-V92 HydrophobicContact CB-CG1 4.48Å
31	S	88.5	Confident	88.7	Confident	77 Å²	77	59.5 Å²	59.5	54%	0.538	33%	0.328	S	S	.	.	H	α-helix	trans	-64.7	-39.7	177	50.7	0	0	0	0	113.2	K29 M35	K29-S31 PolarHBondContact O-N 3.44Å; K29-S31 VanDerWaalsContact O-N 3.13Å; S31-M35 PolarHBondContact O-N 3.29Å; S31-M35 VanDerWaalsContact O-N 3.1Å
32	E	91.4	Very high	88.3	Confident	77 Å²	77	62.5 Å²	62.5	36%	0.36	34%	0.344	S	S	.	.	H	α-helix	trans	-67.8	-44.3	176.7	-67.4	172.3	-174.5	0	0	110.2	K29 K34 M35 H36 F60	K29-E32 HydrophobicContact CB-CG 4.34Å; K29-E32 PolarHBondContact O-N 3.04Å; E32-K34 PolarHBondContact O-N 3.46Å; E32-M35 WeakPolarHBondContact O-CB 3.35Å; E32-M35 PolarHBondContact O-N 3.37Å; E32-H36 PolarHBondContact O-CD2 3.14Å; E32-H36 PolarHBondContact O-N 3.28Å; E32-H36 VanDerWaalsContact O-N 3.09Å; E32-F60 HydrophobicContact CB-CZ 3.96Å
33	V	90.8	Very high	87.9	Confident	1 Å²	1	69.2 Å²	69.2	1%	0.006	37%	0.369	C	S	.	.	H	α-helix	trans	-58.6	-48.3	175.1	178.1	0	0	0	0	111	V20 V22 A28 K29 P30 M35 H36 V37 F60 V65 V92	V20-V33 HydrophobicContact CG1-CG1 3.71Å; V22-V33 HydrophobicContact CG2-CG1 4.13Å; V22-V33 HydrophobicContact CG2-CG2 4.4Å; A28-V33 HydrophobicContact CB-CG2 4Å; K29-V33 PolarHBondContact O-N 3.33Å; P30-V33 PolarHBondContact O-N 3.27Å; V33-M35 VanDerWaalsContact C-N 3.28Å; V33-M35 PolarHBondContact O-N 3.23Å; V33-H36 PolarHBondContact O-N 3.15Å; V33-V37 HydrophobicContact CG1-CG2 4.22Å; V33-V37 WeakPolarHBondContact O-CB 3.5Å; V33-V37 VanDerWaalsContact O-CG2 3.31Å; V33-V37 WeakPolarHBondContact O-CG2 3.35Å; V33-V37 PolarHBondContact O-N 2.94Å; V33-F60 HydrophobicContact CG2-CE1 4.17Å; V33-F60 HydrophobicContact CG2-CZ 4.49Å; V33-V65 HydrophobicContact CG1-CG2 3.92Å; V33-V92 HydrophobicContact CB-CG1 4.46Å; V33-V92 HydrophobicContact CG1-CG1 4.15Å; V33-V92 HydrophobicContact CG1-CG2 4.18Å
34	K	91	Very high	87.3	Confident	63 Å²	63	69.8 Å²	69.8	27%	0.274	37%	0.372	S	S	.	.	H	α-helix	trans	-57.1	-40.7	177	-74.5	-178.3	-177.6	-168.4	0	112	P30 E32 V37 Q38 I90 V92 N194	P30-K34 WeakPolarHBondContact O-CB 3.43Å; P30-K34 VanDerWaalsContact O-CG 3.29Å; P30-K34 WeakPolarHBondContact O-CG 3.38Å; P30-K34 PolarHBondContact O-N 3.15Å; E32-K34 PolarHBondContact O-N 3.46Å; K34-V37 PolarHBondContact O-N 3.47Å; K34-Q38 WeakPolarHBondContact O-CB 3.49Å; K34-Q38 PolarHBondContact O-N 3.38Å; K34-I90 WeakPolarHBondContact CE-O 3.26Å; K34-I90 HydrophobicContact CG-CB 4.2Å; K34-I90 HydrophobicContact CG-CG2 3.93Å; K34-I90 PolarHBondContact NZ-O 3.42Å; K34-V92 HydrophobicContact CD-CG2 4.4Å; K34-V92 HydrophobicContact CG-CG2 3.64Å; K34-N194 PolarHBondContact NZ-OD1 3.48Å
35	M	90.1	Very high	86.6	Confident	126 Å²	126	68.2 Å²	68.2	62%	0.621	36%	0.362	S	S	*	.	H	α-helix	trans	-63.4	-48.2	178.5	-166.3	-166.6	-32.1	0	0	112.3	S31 E32 V33 Q38 A39	S31-M35 PolarHBondContact O-N 3.29Å; S31-M35 VanDerWaalsContact O-N 3.1Å; E32-M35 WeakPolarHBondContact O-CB 3.35Å; E32-M35 PolarHBondContact O-N 3.37Å; V33-M35 VanDerWaalsContact C-N 3.28Å; V33-M35 PolarHBondContact O-N 3.23Å; M35-Q38 PolarHBondContact O-N 2.99Å; M35-A39 PolarHBondContact O-N 2.88Å
36	H	90.3	Very high	86	Confident	55 Å²	55	63.2 Å²	63.2	26%	0.255	34%	0.338	S	S	.	.	H	α-helix	trans	-67.3	-37.6	178.9	-80.8	-89.2	0	0	0	112.1	E32 V33 A39 L40 D58 F60 L61	E32-H36 PolarHBondContact O-CD2 3.14Å; E32-H36 PolarHBondContact O-N 3.28Å; E32-H36 VanDerWaalsContact O-N 3.09Å; V33-H36 PolarHBondContact O-N 3.15Å; H36-A39 PolarHBondContact O-N 3.42Å; H36-L40 PolarHBondContact O-N 2.87Å; H36-D58 IonicContact CE1-OD2 3.63Å; H36-D58 IonicContact CG-OD2 3.89Å; H36-D58 IonicContact ND1-OD1 3.8Å; H36-D58 IonicContact ND1-OD2 2.82Å; H36-D58 PolarHBondContact ND1-OD2 3.4Å; H36-F60 HydrophobicContact CB-CD1 4.01Å; H36-F60 HydrophobicContact CB-CE1 4.45Å; H36-F60 AromaticContact CD2-CD1 3.44Å; H36-F60 VanDerWaalsContact CD2-CD1 3.44Å; H36-F60 WeakPolarHBondContact CD2-CD1 3.37Å; H36-F60 AromaticContact CD2-CE1 3.72Å; H36-F60 AromaticContact CD2-CG 3.86Å; H36-F60 AromaticContact CE1-CG 3.99Å; H36-F60 AromaticContact CG-CD1 3.59Å; H36-F60 AromaticContact NE2-CD1 3.88Å; H36-F60 AromaticContact NE2-CG 3.78Å; H36-L61 HydrophobicContact CB-CD1 4.47Å; H36-L61 HydrophobicContact CB-CD2 3.65Å; H36-L61 HydrophobicContact CB-CG 3.99Å
37	V	89.2	Confident	85	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-66.9	-41.6	175	173.8	0	0	0	0	111	V18 V20 V33 K34 A39 L40 L41 L61 V68 I90	V18-V37 HydrophobicContact CG1-CG1 4.32Å; V20-V37 HydrophobicContact CG1-CG2 4.03Å; V20-V37 HydrophobicContact CG2-CB 4.4Å; V20-V37 HydrophobicContact CG2-CG1 3.94Å; V20-V37 HydrophobicContact CG2-CG2 3.93Å; V33-V37 HydrophobicContact CG1-CG2 4.22Å; V33-V37 WeakPolarHBondContact O-CB 3.5Å; V33-V37 VanDerWaalsContact O-CG2 3.31Å; V33-V37 WeakPolarHBondContact O-CG2 3.35Å; V33-V37 PolarHBondContact O-N 2.94Å; K34-V37 PolarHBondContact O-N 3.47Å; V37-A39 VanDerWaalsContact C-N 3.27Å; V37-A39 PolarHBondContact O-N 3.05Å; V37-L40 WeakPolarHBondContact O-CB 3.29Å; V37-L40 PolarHBondContact O-N 3.11Å; V37-L40 VanDerWaalsContact O-N 3.1Å; V37-L41 HydrophobicContact CG1-CD1 4.22Å; V37-L41 HydrophobicContact CG1-CG 4.38Å; V37-L41 WeakPolarHBondContact O-CG 3.21Å; V37-L41 PolarHBondContact O-N 2.93Å; V37-L61 HydrophobicContact CG2-CD2 3.89Å; V37-V68 HydrophobicContact CG1-CG1 4.13Å; V37-V68 HydrophobicContact CG2-CG2 4.14Å; V37-I90 HydrophobicContact CB-CD1 4.4Å; V37-I90 HydrophobicContact CG1-CD1 4.13Å; V37-I90 HydrophobicContact CG1-CG2 4.38Å
38	Q	88.8	Confident	83.9	Confident	63 Å²	63	63.1 Å²	63.1	29%	0.294	32%	0.324	S	S	.	.	H	α-helix	trans	-60	-39.7	174.2	-170.3	66.5	40.9	0	0	111.7	K34 M35 L40 L41 N42 I90	K34-Q38 WeakPolarHBondContact O-CB 3.49Å; K34-Q38 PolarHBondContact O-N 3.38Å; M35-Q38 PolarHBondContact O-N 2.99Å; Q38-L40 VanDerWaalsContact C-N 3.35Å; Q38-L41 PolarHBondContact O-N 2.82Å; Q38-N42 PolarHBondContact NE2-OD1 3.35Å; Q38-N42 WeakPolarHBondContact O-CB 3.45Å; Q38-N42 PolarHBondContact O-N 2.99Å; Q38-N42 PolarHBondContact O-ND2 3.31Å; Q38-I90 HydrophobicContact CB-CD1 4.22Å
39	A	88.1	Confident	83	Confident	46 Å²	46	62.6 Å²	62.6	38%	0.38	32%	0.321	S	S	.	.	H	α-helix	trans	-64.5	-37.4	175	0	0	0	0	0	112.6	M35 H36 V37 R43	M35-A39 PolarHBondContact O-N 2.88Å; H36-A39 PolarHBondContact O-N 3.42Å; V37-A39 VanDerWaalsContact C-N 3.27Å; V37-A39 PolarHBondContact O-N 3.05Å; A39-R43 PolarHBondContact O-N 2.88Å; A39-R43 VanDerWaalsContact O-N 3.14Å
40	L	86.9	Confident	82.3	Confident	11 Å²	11	60.2 Å²	60.2	6%	0.058	31%	0.314	C	S	.	.	H	α-helix	trans	-62.7	-48.1	173.2	-179.7	71.2	0	0	0	111.4	H36 V37 Q38 N42 R43 H44 W53 F56 L61	H36-L40 PolarHBondContact O-N 2.87Å; V37-L40 WeakPolarHBondContact O-CB 3.29Å; V37-L40 PolarHBondContact O-N 3.11Å; V37-L40 VanDerWaalsContact O-N 3.1Å; Q38-L40 VanDerWaalsContact C-N 3.35Å; L40-N42 PolarHBondContact O-N 3.1Å; L40-R43 WeakPolarHBondContact O-CB 3.29Å; L40-R43 PolarHBondContact O-N 3.5Å; L40-R43 VanDerWaalsContact O-N 3.15Å; L40-H44 PolarHBondContact O-N 3.29Å; L40-H44 VanDerWaalsContact O-N 3.15Å; L40-W53 HydrophobicContact CD2-CD2 4.42Å; L40-W53 HydrophobicContact CD2-CG 4.3Å; L40-F56 HydrophobicContact CD2-CD1 3.94Å; L40-F56 HydrophobicContact CD2-CE1 3.89Å; L40-L61 HydrophobicContact CB-CD1 4.13Å; L40-L61 HydrophobicContact CD2-CD1 4.11Å
41	L	85.6	Confident	81.9	Confident	2 Å²	2	62 Å²	62	1%	0.01	31%	0.312	C	S	.	.	H	α-helix	trans	-61.7	-43.7	178.9	-65.2	174.3	0	0	0	111.5	V18 V37 Q38 R43 H44 S45 W53 I70 L83 V88 I90	V18-L41 HydrophobicContact CG1-CD1 4.41Å; V18-L41 HydrophobicContact CG2-CD1 4Å; V37-L41 HydrophobicContact CG1-CD1 4.22Å; V37-L41 HydrophobicContact CG1-CG 4.38Å; V37-L41 WeakPolarHBondContact O-CG 3.21Å; V37-L41 PolarHBondContact O-N 2.93Å; Q38-L41 PolarHBondContact O-N 2.82Å; L41-R43 PolarHBondContact O-N 2.93Å; L41-H44 PolarHBondContact O-N 3.31Å; L41-S45 PolarHBondContact O-N 3.1Å; L41-W53 HydrophobicContact CD2-CH2 4.34Å; L41-W53 HydrophobicContact CD2-CZ3 4.44Å; L41-I70 HydrophobicContact CD2-CD1 3.91Å; L41-I70 HydrophobicContact CD2-CG1 4.32Å; L41-L83 HydrophobicContact CB-CD1 4.41Å; L41-L83 HydrophobicContact CD2-CD1 4.16Å; L41-V88 HydrophobicContact CD1-CG1 3.76Å; L41-I90 HydrophobicContact CD1-CD1 4.47Å
42	N	84.1	Confident	81.8	Confident	79 Å²	79	64.1 Å²	64.1	42%	0.422	31%	0.308	S	S	.	.	H	α-helix	trans	-62.5	-29.8	176.8	-72.2	-15.7	0	0	0	113	Q38 L40	Q38-N42 PolarHBondContact NE2-OD1 3.35Å; Q38-N42 WeakPolarHBondContact O-CB 3.45Å; Q38-N42 PolarHBondContact O-N 2.99Å; Q38-N42 PolarHBondContact O-ND2 3.31Å; L40-N42 PolarHBondContact O-N 3.1Å
43	R	84.2	Confident	81.6	Confident	147 Å²	147	61 Å²	61	56%	0.555	29%	0.293	S	S	*	.	H	α-helix	trans	-74.2	-42	177.4	-172	-177.4	-61.3	159.6	5.1	112.1	A39 L40 L41	A39-R43 PolarHBondContact O-N 2.88Å; A39-R43 VanDerWaalsContact O-N 3.14Å; L40-R43 WeakPolarHBondContact O-CB 3.29Å; L40-R43 PolarHBondContact O-N 3.5Å; L40-R43 VanDerWaalsContact O-N 3.15Å; L41-R43 PolarHBondContact O-N 2.93Å
44	H	78	Confident	81.4	Confident	84 Å²	84	65.1 Å²	65.1	39%	0.389	32%	0.318	S	S	.	.	H	α-helix	trans	-75	-29.9	179.4	-81.4	-83.5	0	0	0	112.6	L40 L41 T46 W53	L40-H44 PolarHBondContact O-N 3.29Å; L40-H44 VanDerWaalsContact O-N 3.15Å; L41-H44 PolarHBondContact O-N 3.31Å; H44-T46 PolarHBondContact O-N 2.86Å; H44-W53 HydrophobicContact CB-CZ2 4.38Å; H44-W53 AromaticContact CD2-NE1 3.7Å; H44-W53 AromaticContact CE1-NE1 3.76Å; H44-W53 AromaticContact NE2-NE1 3.37Å; H44-W53 PolarHBondContact NE2-NE1 2.83Å
45	S	69.7	Low	81.2	Confident	37 Å²	37	70 Å²	70	26%	0.259	34%	0.342	S	S	.	.			trans	59.2	-37.4	173.5	64	0	0	0	0	117.5	L41 D82 L83	L41-S45 PolarHBondContact O-N 3.1Å; S45-D82 VanDerWaalsContact O-OD1 3.07Å; S45-L83 PolarHBondContact O-N 2.91Å
46	T	73.1	Confident	81.2	Confident	69 Å²	69	64.8 Å²	64.8	42%	0.423	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	138.6	179.5	54.5	0	0	0	0	110.5	H44 L81	H44-T46 PolarHBondContact O-N 2.86Å; T46-L81 WeakPolarHBondContact CA-O 3.35Å
47	T	64.4	Low	81	Confident	8 Å²	8	69.2 Å²	69.2	5%	0.049	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	145.5	175.3	49.9	0	0	0	0	111.9	W53 I70 L81 L83	T47-W53 HydrophobicContact CG2-CH2 3.94Å; T47-W53 HydrophobicContact CG2-CZ2 4.45Å; T47-I70 HydrophobicContact CG2-CD1 3.68Å; T47-L81 PolarHBondContact N-O 3.35Å; T47-L81 PolarHBondContact O-N 2.84Å; T47-L81 VanDerWaalsContact O-N 3.1Å; T47-L83 HydrophobicContact CG2-CD1 3.65Å; T47-L83 HydrophobicContact CG2-CD2 4.47Å; T47-L83 HydrophobicContact CG2-CG 4.22Å
48	F	65.3	Low	81	Confident	149 Å²	149	71 Å²	71	65%	0.654	35%	0.351	S	S	*	.			trans	-108.6	112.3	173.6	-67.5	-90.5	0	0	0	108.6	P80	F48-P80 HydrophobicContact CD1-CB 4.25Å; F48-P80 HydrophobicContact CE1-CB 3.66Å; F48-P80 HydrophobicContact CE1-CG 4.22Å; F48-P80 HydrophobicContact CZ-CB 3.83Å
49	G	68	Low	81.1	Confident	11 Å²	11	76.8 Å²	76.8	11%	0.113	38%	0.375	C	S	.	.	S	Bend	trans	62.2	-163.3	178.4	0	0	0	0	0	113.9	Y51 L72	G49-Y51 PolarHBondContact O-N 2.89Å; G49-L72 VanDerWaalsContact O-CD1 3.29Å; G49-L72 WeakPolarHBondContact O-CD1 2.92Å
50	N	73.4	Confident	81.3	Confident	80 Å²	80	76.6 Å²	76.6	43%	0.428	37%	0.366	S	S	.	.	S	Bend	trans	-72.8	126.5	175	-66.5	-6.7	0	0	0	109.1	I70 L72	N50-I70 WeakPolarHBondContact CA-O 3.31Å; N50-I70 PolarHBondContact OD1-O 2.79Å; N50-L72 WeakPolarHBondContact OD1-CA 3.44Å; N50-L72 VanDerWaalsContact OD1-CB 3.29Å; N50-L72 WeakPolarHBondContact OD1-CB 3.49Å; N50-L72 PolarHBondContact OD1-N 2.94Å; N50-L72 PolarHBondContact OD1-O 2.98Å
51	Y	80.1	Confident	81.4	Confident	118 Å²	118	76.1 Å²	76.1	46%	0.463	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	137.5	178.7	-169.3	-91.1	0	0	0	110.4	G49 W53 V69 I70	G49-Y51 PolarHBondContact O-N 2.89Å; Y51-W53 AromaticContact CD1-CD2 3.4Å; Y51-W53 HydrophobicContact CD1-CD2 3.4Å; Y51-W53 VanDerWaalsContact CD1-CD2 3.4Å; Y51-W53 AromaticContact CD1-CE2 3.38Å; Y51-W53 AromaticContact CD1-CE3 3.59Å; Y51-W53 HydrophobicContact CD1-CE3 3.59Å; Y51-W53 HydrophobicContact CD1-CG 4Å; Y51-W53 AromaticContact CD1-CH2 3.7Å; Y51-W53 HydrophobicContact CD1-CH2 3.7Å; Y51-W53 AromaticContact CD1-CZ2 3.55Å; Y51-W53 HydrophobicContact CD1-CZ2 3.55Å; Y51-W53 AromaticContact CD1-CZ3 3.72Å; Y51-W53 HydrophobicContact CD1-CZ3 3.72Å; Y51-W53 AromaticContact CD1-NE1 3.98Å; Y51-W53 HydrophobicContact CE1-CB 4.47Å; Y51-W53 AromaticContact CE1-CD1 3.61Å; Y51-W53 AromaticContact CE1-CD2 3.53Å; Y51-W53 HydrophobicContact CE1-CD2 3.53Å; Y51-W53 AromaticContact CE1-CE2 3.39Å; Y51-W53 HydrophobicContact CE1-CE3 4.19Å; Y51-W53 AromaticContact CE1-CG 3.65Å; Y51-W53 HydrophobicContact CE1-CG 3.65Å; Y51-W53 AromaticContact CE1-CZ2 3.94Å; Y51-W53 HydrophobicContact CE1-CZ2 3.94Å; Y51-W53 AromaticContact CE1-NE1 3.47Å; Y51-W53 HydrophobicContact CG-CH2 4.38Å; Y51-W53 HydrophobicContact CG-CZ2 4.44Å; Y51-W53 HydrophobicContact CG-CZ3 4.5Å; Y51-V69 WeakPolarHBondContact O-CA 3.33Å; Y51-I70 PolarHBondContact O-N 2.81Å
52	R	84.6	Confident	81.6	Confident	120 Å²	120	81.6 Å²	81.6	45%	0.453	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	112.4	177.4	-179	169.8	-168.3	174.7	5.5	109.4	T54 S67 V68 V69	R52-T54 HydrophobicContact CG-CG2 4.15Å; R52-S67 PolarHBondContact NE-OG 2.87Å; R52-S67 PolarHBondContact NH2-OG 2.79Å; R52-S67 VanDerWaalsContact NH2-OG 3.12Å; R52-V68 CarbonylContact C-O 3.52Å; R52-V68 WeakPolarHBondContact CA-O 3.44Å; R52-V69 HydrophobicContact CB-CG2 4.14Å; R52-V69 HydrophobicContact CG-CG2 3.79Å
53	W	87.6	Confident	81.9	Confident	13 Å²	13	84.8 Å²	84.8	5%	0.049	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	128.1	166.7	-67.7	-94.6	0	0	0	109.5	L40 L41 H44 T47 Y51 F56 S67 V68 I70	L40-W53 HydrophobicContact CD2-CD2 4.42Å; L40-W53 HydrophobicContact CD2-CG 4.3Å; L41-W53 HydrophobicContact CD2-CH2 4.34Å; L41-W53 HydrophobicContact CD2-CZ3 4.44Å; H44-W53 HydrophobicContact CB-CZ2 4.38Å; H44-W53 AromaticContact CD2-NE1 3.7Å; H44-W53 AromaticContact CE1-NE1 3.76Å; H44-W53 AromaticContact NE2-NE1 3.37Å; H44-W53 PolarHBondContact NE2-NE1 2.83Å; T47-W53 HydrophobicContact CG2-CH2 3.94Å; T47-W53 HydrophobicContact CG2-CZ2 4.45Å; Y51-W53 AromaticContact CD1-CD2 3.4Å; Y51-W53 HydrophobicContact CD1-CD2 3.4Å; Y51-W53 VanDerWaalsContact CD1-CD2 3.4Å; Y51-W53 AromaticContact CD1-CE2 3.38Å; Y51-W53 AromaticContact CD1-CE3 3.59Å; Y51-W53 HydrophobicContact CD1-CE3 3.59Å; Y51-W53 HydrophobicContact CD1-CG 4Å; Y51-W53 AromaticContact CD1-CH2 3.7Å; Y51-W53 HydrophobicContact CD1-CH2 3.7Å; Y51-W53 AromaticContact CD1-CZ2 3.55Å; Y51-W53 HydrophobicContact CD1-CZ2 3.55Å; Y51-W53 AromaticContact CD1-CZ3 3.72Å; Y51-W53 HydrophobicContact CD1-CZ3 3.72Å; Y51-W53 AromaticContact CD1-NE1 3.98Å; Y51-W53 HydrophobicContact CE1-CB 4.47Å; Y51-W53 AromaticContact CE1-CD1 3.61Å; Y51-W53 AromaticContact CE1-CD2 3.53Å; Y51-W53 HydrophobicContact CE1-CD2 3.53Å; Y51-W53 AromaticContact CE1-CE2 3.39Å; Y51-W53 HydrophobicContact CE1-CE3 4.19Å; Y51-W53 AromaticContact CE1-CG 3.65Å; Y51-W53 HydrophobicContact CE1-CG 3.65Å; Y51-W53 AromaticContact CE1-CZ2 3.94Å; Y51-W53 HydrophobicContact CE1-CZ2 3.94Å; Y51-W53 AromaticContact CE1-NE1 3.47Å; Y51-W53 HydrophobicContact CG-CH2 4.38Å; Y51-W53 HydrophobicContact CG-CZ2 4.44Å; Y51-W53 HydrophobicContact CG-CZ3 4.5Å; W53-F56 HydrophobicContact CB-CD1 4.35Å; W53-F56 HydrophobicContact CB-CE1 3.55Å; W53-F56 HydrophobicContact CB-CZ 3.99Å; W53-F56 HydrophobicContact CG-CE1 4.4Å; W53-S67 CarbonylContact O-C 3.6Å; W53-S67 WeakPolarHBondContact O-CA 3.04Å; W53-S67 WeakPolarHBondContact O-CB 3.46Å; W53-V68 HydrophobicContact CB-CB 4.29Å; W53-V68 HydrophobicContact CE3-CB 4.15Å; W53-V68 HydrophobicContact CE3-CG1 4.02Å; W53-V68 PolarHBondContact N-O 2.8Å; W53-V68 PolarHBondContact O-N 3.16Å; W53-I70 HydrophobicContact CH2-CD1 3.32Å; W53-I70 HydrophobicContact CH2-CG1 4.18Å; W53-I70 HydrophobicContact CZ3-CD1 3.38Å; W53-I70 HydrophobicContact CZ3-CG1 3.71Å
54	T	86.7	Confident	82.2	Confident	86 Å²	86	78.8 Å²	78.8	53%	0.528	38%	0.377	S	S	.	.			trans	-118.9	-18.6	169	53.5	0	0	0	0	111.9	R52	R52-T54 HydrophobicContact CG-CG2 4.15Å
55	E	87.4	Confident	82.9	Confident	166 Å²	166	74.9 Å²	74.9	78%	0.776	36%	0.359	S	S	*	.			trans	-114.3	135.5	179.5	-65.5	-179.8	-172.7	0	0	109.1
56	F	89.1	Confident	83.9	Confident	17 Å²	17	76.3 Å²	76.3	8%	0.075	36%	0.364	C	S	.	.			trans	-134.6	129.3	-173.7	-53.6	-77.1	0	0	0	110.3	L40 W53 D58 L61 H62 V65 V68	L40-F56 HydrophobicContact CD2-CD1 3.94Å; L40-F56 HydrophobicContact CD2-CE1 3.89Å; W53-F56 HydrophobicContact CB-CD1 4.35Å; W53-F56 HydrophobicContact CB-CE1 3.55Å; W53-F56 HydrophobicContact CB-CZ 3.99Å; W53-F56 HydrophobicContact CG-CE1 4.4Å; F56-D58 VanDerWaalsContact C-N 3.28Å; F56-L61 HydrophobicContact CB-CB 3.78Å; F56-L61 HydrophobicContact CD1-CB 4.06Å; F56-L61 HydrophobicContact CD1-CD1 4.02Å; F56-L61 HydrophobicContact CD2-CB 4.21Å; F56-L61 HydrophobicContact CG-CB 3.75Å; F56-H62 HydrophobicContact CB-CB 4.5Å; F56-V65 HydrophobicContact CE2-CB 4.3Å; F56-V65 HydrophobicContact CE2-CG1 4.02Å; F56-V65 HydrophobicContact CZ-CG1 3.84Å; F56-V68 HydrophobicContact CE1-CB 4.3Å; F56-V68 HydrophobicContact CE1-CG2 3.74Å; F56-V68 HydrophobicContact CZ-CB 4.41Å; F56-V68 HydrophobicContact CZ-CG2 3.82Å
57	D	87.6	Confident	84.7	Confident	148 Å²	148	73.2 Å²	73.2	79%	0.791	35%	0.345	S	S	*	.	S	Bend	trans	-71	-27.2	171.5	-61.8	-35.6	0	0	0	112.1	K59	D57-K59 PolarHBondContact O-N 3.37Å
58	D	88.9	Confident	85.9	Confident	37 Å²	37	72.8 Å²	72.8	20%	0.198	34%	0.342	C	S	.	.	S	Bend	trans	-72.9	119.7	178.1	-170.8	-33.8	0	0	0	109.9	H36 F56 F60 L61 H62	H36-D58 IonicContact CE1-OD2 3.63Å; H36-D58 IonicContact CG-OD2 3.89Å; H36-D58 IonicContact ND1-OD1 3.8Å; H36-D58 IonicContact ND1-OD2 2.82Å; H36-D58 PolarHBondContact ND1-OD2 3.4Å; F56-D58 VanDerWaalsContact C-N 3.28Å; D58-F60 PolarHBondContact O-N 2.84Å; D58-F60 VanDerWaalsContact OD1-CB 3.29Å; D58-F60 WeakPolarHBondContact OD1-CB 3.28Å; D58-F60 PolarHBondContact OD1-N 3.24Å; D58-L61 HydrophobicContact CB-CB 4.12Å; D58-L61 HydrophobicContact CB-CD1 4.04Å; D58-L61 HydrophobicContact CB-CG 4.04Å; D58-L61 PolarHBondContact O-N 3.11Å; D58-H62 WeakPolarHBondContact O-CB 3.47Å; D58-H62 PolarHBondContact O-N 3.07Å
59	K	90.4	Very high	87	Confident	185 Å²	185	67 Å²	67	80%	0.804	32%	0.319	S	S	*	.	H	α-helix	trans	-57.3	-34	179.1	-65.1	-177	-179.8	179.7	0	112.7	D57 K63	D57-K59 PolarHBondContact O-N 3.37Å; K59-K63 WeakPolarHBondContact O-CB 3.49Å; K59-K63 PolarHBondContact O-N 2.95Å; K59-K63 VanDerWaalsContact O-N 3.14Å
60	F	91.6	Very high	87.7	Confident	41 Å²	41	66.5 Å²	66.5	18%	0.18	31%	0.314	C	S	.	.	H	α-helix	trans	-68.8	-50.8	177.9	-178.5	-90.4	0	0	0	110.7	A28 E32 V33 H36 D58 H62 K63 H64	A28-F60 HydrophobicContact CB-CE2 4.44Å; A28-F60 HydrophobicContact CB-CZ 3.82Å; E32-F60 HydrophobicContact CB-CZ 3.96Å; V33-F60 HydrophobicContact CG2-CE1 4.17Å; V33-F60 HydrophobicContact CG2-CZ 4.49Å; H36-F60 HydrophobicContact CB-CD1 4.01Å; H36-F60 HydrophobicContact CB-CE1 4.45Å; H36-F60 AromaticContact CD2-CD1 3.44Å; H36-F60 VanDerWaalsContact CD2-CD1 3.44Å; H36-F60 WeakPolarHBondContact CD2-CD1 3.37Å; H36-F60 AromaticContact CD2-CE1 3.72Å; H36-F60 AromaticContact CD2-CG 3.86Å; H36-F60 AromaticContact CE1-CG 3.99Å; H36-F60 AromaticContact CG-CD1 3.59Å; H36-F60 AromaticContact NE2-CD1 3.88Å; H36-F60 AromaticContact NE2-CG 3.78Å; D58-F60 PolarHBondContact O-N 2.84Å; D58-F60 VanDerWaalsContact OD1-CB 3.29Å; D58-F60 WeakPolarHBondContact OD1-CB 3.28Å; D58-F60 PolarHBondContact OD1-N 3.24Å; F60-H62 VanDerWaalsContact C-N 3.35Å; F60-H62 PolarHBondContact O-N 3.18Å; F60-K63 PolarHBondContact O-N 3.03Å; F60-H64 AromaticContact CD2-CD2 3.66Å; F60-H64 AromaticContact CE2-CD2 3.62Å; F60-H64 AromaticContact CZ-CD2 3.98Å; F60-H64 WeakPolarHBondContact O-CB 3.4Å; F60-H64 PolarHBondContact O-CD2 2.87Å; F60-H64 VanDerWaalsContact O-CD2 3.32Å; F60-H64 PolarHBondContact O-N 3.23Å
61	L	89.1	Confident	87.9	Confident	1 Å²	1	63.6 Å²	63.6	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-61.5	-44.3	177.7	-65.8	179.7	0	0	0	110.9	H36 V37 L40 F56 D58 K63 H64 V65	H36-L61 HydrophobicContact CB-CD1 4.47Å; H36-L61 HydrophobicContact CB-CD2 3.65Å; H36-L61 HydrophobicContact CB-CG 3.99Å; V37-L61 HydrophobicContact CG2-CD2 3.89Å; L40-L61 HydrophobicContact CB-CD1 4.13Å; L40-L61 HydrophobicContact CD2-CD1 4.11Å; F56-L61 HydrophobicContact CB-CB 3.78Å; F56-L61 HydrophobicContact CD1-CB 4.06Å; F56-L61 HydrophobicContact CD1-CD1 4.02Å; F56-L61 HydrophobicContact CD2-CB 4.21Å; F56-L61 HydrophobicContact CG-CB 3.75Å; D58-L61 HydrophobicContact CB-CB 4.12Å; D58-L61 HydrophobicContact CB-CD1 4.04Å; D58-L61 HydrophobicContact CB-CG 4.04Å; D58-L61 PolarHBondContact O-N 3.11Å; L61-K63 PolarHBondContact O-N 3.21Å; L61-H64 PolarHBondContact O-N 3.23Å; L61-V65 HydrophobicContact CD2-CB 4.36Å; L61-V65 HydrophobicContact CD2-CG2 3.69Å; L61-V65 WeakPolarHBondContact O-CA 3.49Å; L61-V65 WeakPolarHBondContact O-CB 3.35Å; L61-V65 PolarHBondContact O-N 3.46Å
62	H	90	Very high	87.3	Confident	117 Å²	117	58.2 Å²	58.2	54%	0.542	28%	0.277	S	S	.	.	H	α-helix	trans	-58	-37.1	176.8	-174.2	75.5	0	0	0	112.9	K23 F56 D58 F60	K23-H62 PolarHBondContact NZ-O 3.32Å; F56-H62 HydrophobicContact CB-CB 4.5Å; D58-H62 WeakPolarHBondContact O-CB 3.47Å; D58-H62 PolarHBondContact O-N 3.07Å; F60-H62 VanDerWaalsContact C-N 3.35Å; F60-H62 PolarHBondContact O-N 3.18Å
63	K	90.8	Very high	86.2	Confident	146 Å²	146	55.6 Å²	55.6	64%	0.635	27%	0.27	S	S	*	.	H	α-helix	trans	-76	-38.5	179.3	-174.8	177.2	175.6	-171.8	0	113.1	K59 F60 L61	K59-K63 WeakPolarHBondContact O-CB 3.49Å; K59-K63 PolarHBondContact O-N 2.95Å; K59-K63 VanDerWaalsContact O-N 3.14Å; F60-K63 PolarHBondContact O-N 3.03Å; L61-K63 PolarHBondContact O-N 3.21Å
64	H	91.5	Very high	84.6	Confident	22 Å²	22	57.8 Å²	57.8	10%	0.102	28%	0.281	C	S	.	.	H	α-helix	trans	-110.9	-26.4	-165.8	-67.7	-69.7	0	0	0	114.8	V22 K23 S26 A28 F60 L61	V22-H64 WeakPolarHBondContact CG1-O 3.48Å; K23-H64 PolarHBondContact N-O 2.98Å; S26-H64 WeakPolarHBondContact OG-CB 3.38Å; S26-H64 PolarHBondContact OG-ND1 3.14Å; A28-H64 HydrophobicContact CB-CB 4.24Å; F60-H64 AromaticContact CD2-CD2 3.66Å; F60-H64 AromaticContact CE2-CD2 3.62Å; F60-H64 AromaticContact CZ-CD2 3.98Å; F60-H64 WeakPolarHBondContact O-CB 3.4Å; F60-H64 PolarHBondContact O-CD2 2.87Å; F60-H64 VanDerWaalsContact O-CD2 3.32Å; F60-H64 PolarHBondContact O-N 3.23Å; L61-H64 PolarHBondContact O-N 3.23Å
65	V	91.9	Very high	82.8	Confident	2 Å²	2	59.3 Å²	59.3	1%	0.012	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	136.5	-175.3	179.8	0	0	0	0	109.5	V20 H21 K23 V33 F56 L61 V68	V20-V65 HydrophobicContact CG1-CG1 3.85Å; V20-V65 HydrophobicContact CG1-CG2 4.14Å; H21-V65 WeakPolarHBondContact O-CG1 3.28Å; K23-V65 WeakPolarHBondContact CE-O 3.27Å; V33-V65 HydrophobicContact CG1-CG2 3.92Å; F56-V65 HydrophobicContact CE2-CB 4.3Å; F56-V65 HydrophobicContact CE2-CG1 4.02Å; F56-V65 HydrophobicContact CZ-CG1 3.84Å; L61-V65 HydrophobicContact CD2-CB 4.36Å; L61-V65 HydrophobicContact CD2-CG2 3.69Å; L61-V65 WeakPolarHBondContact O-CA 3.49Å; L61-V65 WeakPolarHBondContact O-CB 3.35Å; L61-V65 PolarHBondContact O-N 3.46Å; V65-V68 HydrophobicContact CG1-CG2 3.82Å
66	D	90.2	Very high	80.9	Confident	67 Å²	67	52.8 Å²	52.8	36%	0.358	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	-47.7	177.3	-176.4	62.5	0	0	0	111.1	H21 K23	H21-D66 IonicContact CE1-OD2 3.96Å; H21-D66 PolarHBondContact CE1-OD2 3.4Å; H21-D66 WeakPolarHBondContact ND1-CB 3.36Å; H21-D66 IonicContact ND1-OD2 3.44Å; H21-D66 PolarHBondContact ND1-OD2 2.75Å; H21-D66 PolarHBondContact O-N 2.97Å; K23-D66 HydrophobicContact CG-CB 3.92Å
67	S	90.6	Very high	79.2	Confident	3 Å²	3	58.7 Å²	58.7	2%	0.021	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	153.1	171.6	60.1	0	0	0	0	113.9	H21 R52 W53	H21-S67 PolarHBondContact N-O 3.2Å; H21-S67 PolarHBondContact O-N 3.35Å; R52-S67 PolarHBondContact NE-OG 2.87Å; R52-S67 PolarHBondContact NH2-OG 2.79Å; R52-S67 VanDerWaalsContact NH2-OG 3.12Å; W53-S67 CarbonylContact O-C 3.6Å; W53-S67 WeakPolarHBondContact O-CA 3.04Å; W53-S67 WeakPolarHBondContact O-CB 3.46Å
68	V	89.4	Confident	77.4	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	126	171.3	179.2	0	0	0	0	107.6	V18 E19 V20 V37 R52 W53 F56 V65	V18-V68 HydrophobicContact CG1-CG1 3.61Å; E19-V68 CarbonylContact O-C 3.6Å; E19-V68 WeakPolarHBondContact O-CA 3.47Å; V20-V68 HydrophobicContact CG1-CG2 4.25Å; V20-V68 HydrophobicContact CG2-CG1 4.38Å; V20-V68 HydrophobicContact CG2-CG2 4.36Å; V37-V68 HydrophobicContact CG1-CG1 4.13Å; V37-V68 HydrophobicContact CG2-CG2 4.14Å; R52-V68 CarbonylContact C-O 3.52Å; R52-V68 WeakPolarHBondContact CA-O 3.44Å; W53-V68 HydrophobicContact CB-CB 4.29Å; W53-V68 HydrophobicContact CE3-CB 4.15Å; W53-V68 HydrophobicContact CE3-CG1 4.02Å; W53-V68 PolarHBondContact N-O 2.8Å; W53-V68 PolarHBondContact O-N 3.16Å; F56-V68 HydrophobicContact CE1-CB 4.3Å; F56-V68 HydrophobicContact CE1-CG2 3.74Å; F56-V68 HydrophobicContact CZ-CB 4.41Å; F56-V68 HydrophobicContact CZ-CG2 3.82Å; V65-V68 HydrophobicContact CG1-CG2 3.82Å
69	V	87.6	Confident	75.9	Confident	28 Å²	28	60.3 Å²	60.3	17%	0.17	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	127.3	-179.5	-177.6	0	0	0	0	109.1	V18 E19 Y51 R52	V18-V69 WeakPolarHBondContact CA-O 3.42Å; E19-V69 PolarHBondContact N-O 3.19Å; E19-V69 PolarHBondContact O-N 2.97Å; Y51-V69 WeakPolarHBondContact O-CA 3.33Å; R52-V69 HydrophobicContact CB-CG2 4.14Å; R52-V69 HydrophobicContact CG-CG2 3.79Å
70	I	83.9	Confident	74.6	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	121.3	164.1	-69.4	165.2	0	0	0	107.8	I16 V18 L41 T47 N50 Y51 W53 L72 L83	I16-I70 HydrophobicContact CG2-CG2 3.82Å; V18-I70 HydrophobicContact CG1-CG1 4.5Å; V18-I70 HydrophobicContact CG2-CG1 4.02Å; L41-I70 HydrophobicContact CD2-CD1 3.91Å; L41-I70 HydrophobicContact CD2-CG1 4.32Å; T47-I70 HydrophobicContact CG2-CD1 3.68Å; N50-I70 WeakPolarHBondContact CA-O 3.31Å; N50-I70 PolarHBondContact OD1-O 2.79Å; Y51-I70 PolarHBondContact O-N 2.81Å; W53-I70 HydrophobicContact CH2-CD1 3.32Å; W53-I70 HydrophobicContact CH2-CG1 4.18Å; W53-I70 HydrophobicContact CZ3-CD1 3.38Å; W53-I70 HydrophobicContact CZ3-CG1 3.71Å; I70-L72 HydrophobicContact CG2-CD2 3.75Å; I70-L72 HydrophobicContact CG2-CG 3.83Å; I70-L83 HydrophobicContact CD1-CD1 4.29Å; I70-L83 HydrophobicContact CD1-CD2 4.35Å
71	D	76.5	Confident	73.4	Confident	19 Å²	19	54.1 Å²	54.1	10%	0.102	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	93.3	171.4	-168.5	10.4	0	0	0	109.2	H17 Q73 K187 R191	H17-D71 PolarHBondContact O-N 2.9Å; D71-Q73 PolarHBondContact O-N 2.95Å; D71-K187 WeakPolarHBondContact OD2-CE 3.45Å; D71-K187 IonicContact OD2-NZ 2.68Å; D71-K187 PolarHBondContact OD2-NZ 3.42Å; D71-K187 VanDerWaalsContact OD2-NZ 3.13Å; D71-R191 IonicContact OD2-CZ 2.87Å; D71-R191 IonicContact OD2-NH2 3.31Å; D71-R191 PolarHBondContact OD2-NH2 3.45Å
72	L	67.4	Low	72.5	Confident	5 Å²	5	57.5 Å²	57.5	3%	0.026	30%	0.304	C	S	.	.			trans	-78.3	113	161.9	-55.8	-179.3	0	0	0	106.1	I16 G49 N50 I70 E74 L81	I16-L72 HydrophobicContact CD1-CD2 4.31Å; I16-L72 HydrophobicContact CG1-CD2 4.26Å; I16-L72 HydrophobicContact CG2-CD2 4.13Å; G49-L72 VanDerWaalsContact O-CD1 3.29Å; G49-L72 WeakPolarHBondContact O-CD1 2.92Å; N50-L72 WeakPolarHBondContact OD1-CA 3.44Å; N50-L72 VanDerWaalsContact OD1-CB 3.29Å; N50-L72 WeakPolarHBondContact OD1-CB 3.49Å; N50-L72 PolarHBondContact OD1-N 2.94Å; N50-L72 PolarHBondContact OD1-O 2.98Å; I70-L72 HydrophobicContact CG2-CD2 3.75Å; I70-L72 HydrophobicContact CG2-CG 3.83Å; L72-E74 PolarHBondContact O-N 3.18Å; L72-L81 HydrophobicContact CD1-CD1 3.92Å; L72-L81 HydrophobicContact CD2-CD1 4.03Å
73	Q	61.6	Low	71.5	Confident	65 Å²	65	52.3 Å²	52.3	30%	0.304	28%	0.28	S	S	.	.			trans	-46.1	144.1	170.3	-65.8	-175.7	-20.4	0	0	109.5	D71 T75 T76 T139	D71-Q73 PolarHBondContact O-N 2.95Å; Q73-T75 PolarHBondContact O-N 2.94Å; Q73-T76 PolarHBondContact O-N 2.88Å; Q73-T139 HydrophobicContact CG-CG2 4.46Å
74	E	55.5	Low	70.4	Confident	58 Å²	58	52 Å²	52	27%	0.271	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.7	-9.9	-163.7	-66.1	177.7	168.7	0	0	116.8	L72 G136 K138	L72-E74 PolarHBondContact O-N 3.18Å; E74-G136 PolarHBondContact OE2-N 2.82Å; E74-K138 WeakPolarHBondContact OE1-CE 3.3Å; E74-K138 IonicContact OE1-NZ 2.82Å
75	T	48.2	Very low	69.5	Low	118 Å²	118	55 Å²	55	72%	0.724	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-14.7	-175.5	21.4	0	0	0	0	116.6	Q73	Q73-T75 PolarHBondContact O-N 2.94Å
76	T	48.1	Very low	68.6	Low	29 Å²	29	55.8 Å²	55.8	18%	0.178	31%	0.308	C	S	.	.			trans	-115	24.1	-170.6	20.3	0	0	0	0	117	Q14 Q73 A78 L81	Q14-T76 VanDerWaalsContact NE2-CG2 3.32Å; Q14-T76 PolarHBondContact NE2-OG1 3.09Å; Q73-T76 PolarHBondContact O-N 2.88Å; T76-A78 PolarHBondContact O-N 3.09Å; T76-L81 HydrophobicContact CG2-CD1 4.06Å
77	Q	51.6	Low	68.1	Low	141 Å²	141	57 Å²	57	66%	0.659	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-5.7	-177	-67.2	-170.8	-10.8	0	0	115.8
78	A	50.4	Low	67.8	Low	75 Å²	75	58 Å²	58	62%	0.62	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	-9.4	-170	0	0	0	0	0	116.2	T76	T76-A78 PolarHBondContact O-N 3.09Å
79	Q	58.5	Low	67.7	Low	145 Å²	145	59.5 Å²	59.5	68%	0.678	33%	0.33	S	S	*	.	S	Bend	trans	-128.6	140.6	-178.2	-68.2	-172	-9.2	0	0	112	L81	Q79-L81 PolarHBondContact O-N 3.12Å
80	P	62.2	Low	67.8	Low	80 Å²	80	58.8 Å²	58.8	52%	0.519	33%	0.326	S	S	.	.			trans	-61.8	122.1	172.3	24.7	-30.9	0	0	0	109.1	F48	F48-P80 HydrophobicContact CD1-CB 4.25Å; F48-P80 HydrophobicContact CE1-CB 3.66Å; F48-P80 HydrophobicContact CE1-CG 4.22Å; F48-P80 HydrophobicContact CZ-CB 3.83Å
81	L	66.3	Low	68.2	Low	16 Å²	16	59.1 Å²	59.1	8%	0.084	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	122.1	176.9	-107.1	144.7	0	0	0	109.1	I16 T46 T47 L72 T76 Q79 L83 C86	I16-L81 HydrophobicContact CD1-CD2 4.2Å; T46-L81 WeakPolarHBondContact CA-O 3.35Å; T47-L81 PolarHBondContact N-O 3.35Å; T47-L81 PolarHBondContact O-N 2.84Å; T47-L81 VanDerWaalsContact O-N 3.1Å; L72-L81 HydrophobicContact CD1-CD1 3.92Å; L72-L81 HydrophobicContact CD2-CD1 4.03Å; T76-L81 HydrophobicContact CG2-CD1 4.06Å; Q79-L81 PolarHBondContact O-N 3.12Å; L81-L83 PolarHBondContact O-N 3.37Å; L81-C86 VanDerWaalsContact CD2-SG 3.52Å
82	D	69.6	Low	68.9	Low	72 Å²	72	59.4 Å²	59.4	39%	0.385	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	105.6	170.8	-177.1	4.5	0	0	0	109.3	S45 K84 S85	S45-D82 VanDerWaalsContact O-OD1 3.07Å; D82-K84 PolarHBondContact O-N 3.02Å; D82-K84 VanDerWaalsContact O-N 3.12Å; D82-K84 WeakPolarHBondContact OD1-CB 3.41Å; D82-K84 PolarHBondContact OD1-N 3.12Å; D82-K84 VanDerWaalsContact OD1-N 3.09Å; D82-S85 PolarHBondContact O-N 2.72Å; D82-S85 VanDerWaalsContact O-N 3.13Å; D82-S85 PolarHBondContact O-OG 2.82Å
83	L	69.4	Low	70.1	Confident	8 Å²	8	60 Å²	60	4%	0.042	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-19.4	-177.3	-65.8	178	0	0	0	112.9	I16 L41 S45 T47 I70 L81 S85	I16-L83 HydrophobicContact CD1-CD2 3.65Å; L41-L83 HydrophobicContact CB-CD1 4.41Å; L41-L83 HydrophobicContact CD2-CD1 4.16Å; S45-L83 PolarHBondContact O-N 2.91Å; T47-L83 HydrophobicContact CG2-CD1 3.65Å; T47-L83 HydrophobicContact CG2-CD2 4.47Å; T47-L83 HydrophobicContact CG2-CG 4.22Å; I70-L83 HydrophobicContact CD1-CD1 4.29Å; I70-L83 HydrophobicContact CD1-CD2 4.35Å; L81-L83 PolarHBondContact O-N 3.37Å; L83-S85 VanDerWaalsContact C-N 3.32Å
84	K	69.1	Low	71.6	Confident	140 Å²	140	60.2 Å²	60.2	61%	0.609	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-21.9	179.1	-64.8	-177.8	179.7	175.3	0	113.3	D82	D82-K84 PolarHBondContact O-N 3.02Å; D82-K84 VanDerWaalsContact O-N 3.12Å; D82-K84 WeakPolarHBondContact OD1-CB 3.41Å; D82-K84 PolarHBondContact OD1-N 3.12Å; D82-K84 VanDerWaalsContact OD1-N 3.09Å
85	S	71.3	Confident	73.3	Confident	83 Å²	83	58 Å²	58	58%	0.58	33%	0.328	S	S	*	.	S	Bend	trans	-93.8	-6	-177.7	69	0	0	0	0	113.3	D82 L83	D82-S85 PolarHBondContact O-N 2.72Å; D82-S85 VanDerWaalsContact O-N 3.13Å; D82-S85 PolarHBondContact O-OG 2.82Å; L83-S85 VanDerWaalsContact C-N 3.32Å
86	C	72.8	Confident	75.4	Confident	20 Å²	20	54.9 Å²	54.9	14%	0.135	31%	0.306	C	S	.	.	S	Bend	trans	-105.2	151.9	-174.9	-64.5	0	0	0	0	112	Q14 I16 L81	Q14-C86 WeakPolarHBondContact O-CB 3.48Å; I16-C86 HydrophobicContact CD1-CB 3.48Å; I16-C86 VanDerWaalsContact CD1-CB 3.48Å; I16-C86 HydrophobicContact CG1-CB 3.91Å; L81-C86 VanDerWaalsContact CD2-SG 3.52Å
87	D	79.5	Confident	77.3	Confident	93 Å²	93	60 Å²	60	50%	0.497	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	126.8	168.6	-167	13.4	0	0	0	108.6	I13 Q14 N15 I16	I13-D87 HydrophobicContact CG2-CB 4Å; Q14-D87 PolarHBondContact O-N 3.24Å; N15-D87 CarbonylContact C-O 3.6Å; N15-D87 WeakPolarHBondContact CA-O 3.44Å; N15-D87 PolarHBondContact OD1-O 3.48Å; I16-D87 PolarHBondContact N-O 3.02Å
88	V	84.1	Confident	78.8	Confident	23 Å²	23	59.1 Å²	59.1	14%	0.139	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	111.7	-171.6	-178.2	0	0	0	0	109.8	V18 L41 I90	V18-V88 HydrophobicContact CB-CG1 4.49Å; V18-V88 HydrophobicContact CG2-CG1 3.62Å; L41-V88 HydrophobicContact CD1-CG1 3.76Å; V88-I90 HydrophobicContact CG1-CG1 4.01Å
89	S	87.7	Confident	80	Confident	31 Å²	31	57 Å²	57	22%	0.217	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	103.5	175.3	-65.5	0	0	0	0	110.5	N15 I16 V18 H91	N15-S89 PolarHBondContact OD1-OG 3.28Å; I16-S89 PolarHBondContact O-N 2.86Å; V18-S89 PolarHBondContact N-O 3.4Å; S89-H91 PolarHBondContact O-CD2 3.24Å
90	I	90	Very high	81.2	Confident	14 Å²	14	52.7 Å²	52.7	7%	0.072	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	120.1	177.9	-52.9	175.6	0	0	0	110.8	V18 V20 K34 V37 Q38 L41 V88 V92	V18-I90 HydrophobicContact CB-CG1 4.41Å; V20-I90 HydrophobicContact CG2-CG2 3.62Å; K34-I90 WeakPolarHBondContact CE-O 3.26Å; K34-I90 HydrophobicContact CG-CB 4.2Å; K34-I90 HydrophobicContact CG-CG2 3.93Å; K34-I90 PolarHBondContact NZ-O 3.42Å; V37-I90 HydrophobicContact CB-CD1 4.4Å; V37-I90 HydrophobicContact CG1-CD1 4.13Å; V37-I90 HydrophobicContact CG1-CG2 4.38Å; Q38-I90 HydrophobicContact CB-CD1 4.22Å; L41-I90 HydrophobicContact CD1-CD1 4.47Å; V88-I90 HydrophobicContact CG1-CG1 4.01Å; I90-V92 HydrophobicContact CG2-CG2 4.17Å
91	H	92.4	Very high	82.2	Confident	6 Å²	6	52.8 Å²	52.8	3%	0.028	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	116.4	177.1	-56.5	-67.9	0	0	0	109.4	H17 V18 V20 S89 I190 R191	H17-H91 AromaticContact ND1-NE2 3.32Å; H17-H91 PolarHBondContact ND1-NE2 2.91Å; V18-H91 PolarHBondContact O-N 3.23Å; V20-H91 PolarHBondContact N-O 3.15Å; S89-H91 PolarHBondContact O-CD2 3.24Å; H91-I190 HydrophobicContact CB-CG2 3.86Å; H91-R191 PolarHBondContact CE1-O 3.02Å; H91-R191 PolarHBondContact ND1-O 3.3Å
92	V	91.9	Very high	82.7	Confident	25 Å²	25	59.7 Å²	59.7	15%	0.152	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	128.1	-178.2	-177.7	0	0	0	0	108.3	V20 V22 P30 V33 K34 I90	V20-V92 HydrophobicContact CB-CG2 4.25Å; V22-V92 HydrophobicContact CG2-CG1 3.42Å; V22-V92 VanDerWaalsContact CG2-CG1 3.42Å; P30-V92 HydrophobicContact CB-CB 4.5Å; P30-V92 HydrophobicContact CB-CG1 4.48Å; V33-V92 HydrophobicContact CB-CG1 4.46Å; V33-V92 HydrophobicContact CG1-CG1 4.15Å; V33-V92 HydrophobicContact CG1-CG2 4.18Å; K34-V92 HydrophobicContact CD-CG2 4.4Å; K34-V92 HydrophobicContact CG-CG2 3.64Å; I90-V92 HydrophobicContact CG2-CG2 4.17Å
93	F	92.4	Very high	82.6	Confident	19 Å²	19	57.4 Å²	57.4	8%	0.083	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	158.4	-179.3	71.3	-82.6	0	0	0	112.5	E19 V20 H21 V22 L95 P120 I190	E19-F93 HydrophobicContact CB-CE1 4.12Å; V20-F93 VanDerWaalsContact O-CD1 3.29Å; V20-F93 WeakPolarHBondContact O-CD1 3.49Å; V20-F93 PolarHBondContact O-N 3.13Å; H21-F93 HydrophobicContact CB-CE1 4.26Å; H21-F93 HydrophobicContact CB-CE2 4.16Å; H21-F93 HydrophobicContact CB-CZ 3.77Å; H21-F93 AromaticContact CD2-CE2 3.92Å; V22-F93 PolarHBondContact N-O 2.91Å; F93-L95 HydrophobicContact CD2-CD2 4.19Å; F93-L95 HydrophobicContact CE2-CD2 3.81Å; F93-L95 HydrophobicContact CE2-CG 4.2Å; F93-P120 HydrophobicContact CB-CG 4.07Å; F93-P120 HydrophobicContact CD2-CB 4.09Å; F93-P120 HydrophobicContact CD2-CG 4.19Å; F93-P120 HydrophobicContact CG-CG 4.45Å; F93-I190 HydrophobicContact CB-CG1 4.3Å; F93-I190 HydrophobicContact CD1-CB 4.39Å; F93-I190 HydrophobicContact CD1-CD1 4.09Å; F93-I190 HydrophobicContact CD1-CG1 3.94Å; F93-I190 HydrophobicContact CD1-CG2 3.58Å; F93-I190 HydrophobicContact CD2-CD1 4.12Å; F93-I190 HydrophobicContact CD2-CG1 4.1Å; F93-I190 HydrophobicContact CE1-CD1 3.91Å; F93-I190 HydrophobicContact CE1-CG1 4.28Å; F93-I190 HydrophobicContact CE1-CG2 4Å; F93-I190 HydrophobicContact CE2-CD1 3.93Å; F93-I190 HydrophobicContact CE2-CG1 4.42Å; F93-I190 HydrophobicContact CG-CD1 4.19Å; F93-I190 HydrophobicContact CG-CG1 3.84Å; F93-I190 HydrophobicContact CG-CG2 4.23Å; F93-I190 HydrophobicContact CZ-CD1 3.81Å; F93-I190 HydrophobicContact CZ-CG1 4.5Å
94	T	92.1	Very high	82.3	Confident	68 Å²	68	60.9 Å²	60.9	42%	0.417	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	141.5	172.4	48.4	0	0	0	0	108.3	V22	V22-T94 HydrophobicContact CB-CG2 3.83Å; V22-T94 HydrophobicContact CG1-CG2 4.05Å
95	L	92.6	Very high	81.9	Confident	12 Å²	12	55.3 Å²	55.3	6%	0.063	31%	0.305	C	S	.	.			trans	-82.4	136.4	177.2	-65	173.6	0	0	0	110.8	H21 F93 P120 A122 D125	H21-L95 VanDerWaalsContact NE2-CD1 3.33Å; H21-L95 WeakPolarHBondContact NE2-CD1 3.38Å; H21-L95 WeakPolarHBondContact NE2-CG 3.41Å; F93-L95 HydrophobicContact CD2-CD2 4.19Å; F93-L95 HydrophobicContact CE2-CD2 3.81Å; F93-L95 HydrophobicContact CE2-CG 4.2Å; L95-P120 HydrophobicContact CD2-CB 4.18Å; L95-A122 HydrophobicContact CB-CB 4.15Å; L95-A122 HydrophobicContact CD1-CB 4.49Å; L95-D125 HydrophobicContact CD1-CB 3.84Å; L95-D125 HydrophobicContact CD2-CB 4.15Å
96	N	91.1	Very high	81.2	Confident	52 Å²	52	56.3 Å²	56.3	28%	0.278	30%	0.3	S	S	.	.	B	Isolated β-bridge	trans	-82.5	121.1	166.4	-69.3	-49.1	0	0	0	109.3	E98 L118 P120 A122	N96-E98 VanDerWaalsContact C-N 3.32Å; N96-L118 HydrophobicContact CB-CB 4.35Å; N96-L118 WeakPolarHBondContact ND2-CB 3.44Å; N96-L118 PolarHBondContact ND2-O 3.48Å; N96-P120 PolarHBondContact N-O 3.11Å; N96-A122 WeakPolarHBondContact O-CB 3.27Å; N96-A122 PolarHBondContact O-N 3.37Å
97	E	88	Confident	80.3	Confident	136 Å²	136	65 Å²	65	64%	0.636	34%	0.339	S	S	*	.			trans	-85.6	-6.5	178.3	-60.5	-64.5	161.5	0	0	112.7	G99 A122	E97-G99 PolarHBondContact O-N 3.32Å; E97-A122 WeakPolarHBondContact OE2-CB 3.22Å
98	E	83.8	Confident	78.6	Confident	124 Å²	124	67.2 Å²	67.2	58%	0.579	35%	0.351	S	S	*	.			trans	-68.6	121.9	174.2	-64.9	-174.2	178.9	0	0	109.4	N96	N96-E98 VanDerWaalsContact C-N 3.32Å
99	G	76.2	Confident	77	Confident	30 Å²	30	74 Å²	74	31%	0.309	38%	0.381	S	S	.	.			trans	-69.2	-172.9	176.3	0	0	0	0	0	112.8	E97 N101	E97-G99 PolarHBondContact O-N 3.32Å; G99-N101 PolarHBondContact O-N 3.48Å; G99-N101 VanDerWaalsContact O-N 3.11Å
100	P	82.9	Confident	75.3	Confident	55 Å²	55	78.9 Å²	78.9	36%	0.357	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-61	117.9	-178.6	21.6	-31.8	0	0	0	111.8	N115 H116 W117 E123	P100-N115 HydrophobicContact CB-CB 4.33Å; P100-H116 CarbonylContact C-O 3.54Å; P100-H116 WeakPolarHBondContact CA-O 3.45Å; P100-W117 HydrophobicContact CB-CD2 4.25Å; P100-W117 HydrophobicContact CB-CH2 4.34Å; P100-W117 HydrophobicContact CB-CZ2 3.66Å; P100-W117 HydrophobicContact CG-CZ2 4.22Å; P100-E123 WeakPolarHBondContact CD-OE1 3.38Å
101	N	82.4	Confident	73.6	Confident	81 Å²	81	82.2 Å²	82.2	43%	0.433	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	136	163.3	-73.3	-36.2	0	0	0	108.6	G99 H116	G99-N101 PolarHBondContact O-N 3.48Å; G99-N101 VanDerWaalsContact O-N 3.11Å; N101-H116 HydrophobicContact CB-CB 4.46Å; N101-H116 PolarHBondContact N-O 3.37Å; N101-H116 WeakPolarHBondContact O-CB 3.4Å; N101-H116 PolarHBondContact O-N 3.23Å
102	R	77.7	Confident	72	Confident	161 Å²	161	82.8 Å²	82.8	61%	0.608	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.7	120.4	171.2	-73.7	178.5	178	-175.5	3.6	107.6	S104	R102-S104 VanDerWaalsContact C-N 3.34Å; R102-S104 PolarHBondContact O-N 2.92Å
103	L	67.5	Low	70.7	Confident	24 Å²	24	82 Å²	82	13%	0.126	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	95.3	170.1	-76.8	159.4	0	0	0	108	A114 H116 V202 Q227	L103-A114 HydrophobicContact CB-CB 4.47Å; L103-A114 HydrophobicContact CD1-CB 4.03Å; L103-A114 PolarHBondContact N-O 2.84Å; L103-A114 VanDerWaalsContact N-O 3.16Å; L103-H116 HydrophobicContact CD1-CB 3.84Å; L103-H116 HydrophobicContact CG-CB 3.84Å; L103-V202 HydrophobicContact CD1-CG1 3.8Å; L103-V202 HydrophobicContact CD1-CG2 4.25Å; L103-Q227 HydrophobicContact CD2-CB 4.36Å
104	S	62.8	Low	70.2	Confident	82 Å²	82	81.2 Å²	81.2	57%	0.573	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77	136.7	173.1	50.6	0	0	0	0	109.9	R102	R102-S104 VanDerWaalsContact C-N 3.34Å; R102-S104 PolarHBondContact O-N 2.92Å
105	L	60.4	Low	70.2	Confident	22 Å²	22	80.6 Å²	80.6	12%	0.115	41%	0.414	C	S	.	.	S	Bend	trans	-98.6	-13.7	-176.8	-68.2	165.4	0	0	0	112.8	A113 W213 K223 M224 Q227	L105-A113 HydrophobicContact CD1-CB 3.97Å; L105-W213 HydrophobicContact CD1-CH2 3.35Å; L105-W213 HydrophobicContact CD1-CZ2 4.22Å; L105-W213 HydrophobicContact CD1-CZ3 3.75Å; L105-K223 HydrophobicContact CD2-CB 3.97Å; L105-M224 HydrophobicContact CD1-CB 4.15Å; L105-M224 VanDerWaalsContact CD2-CA 3.46Å; L105-M224 HydrophobicContact CD2-CB 3.95Å; L105-Q227 HydrophobicContact CD2-CG 4.28Å
106	E	57.4	Low	70.2	Confident	104 Å²	104	80.9 Å²	80.9	49%	0.486	42%	0.415	S	S	.	.	S	Bend	trans	-145.3	158.8	178.1	-59.8	-167	168	0	0	110.6	D108 K223	E106-D108 VanDerWaalsContact C-N 3.27Å; E106-D108 PolarHBondContact O-N 3.33Å; E106-K223 IonicContact OE1-NZ 2.89Å; E106-K223 PolarHBondContact OE1-NZ 3.45Å
107	E	52.7	Low	70.4	Confident	204 Å²	204	78.9 Å²	78.9	95%	0.953	40%	0.404	S	S	*	.	S	Bend	trans	-71.4	-18.5	180	-70.4	-178.2	168.8	0	0	113
108	D	44.2	Very low	70.7	Confident	138 Å²	138	74.6 Å²	74.6	74%	0.738	39%	0.385	S	S	*	.	S	Bend	trans	-112.1	114.4	178.7	-75.4	-42.4	0	0	0	111.8	E106	E106-D108 VanDerWaalsContact C-N 3.27Å; E106-D108 PolarHBondContact O-N 3.33Å
109	E	51.4	Low	71.3	Confident	167 Å²	167	68.7 Å²	68.7	78%	0.78	36%	0.357	S	S	*	.	S	Bend	trans	59.6	119.9	157.9	-63	-175	168.1	0	0	122.4	L111	E109-L111 VanDerWaalsContact C-N 3.27Å; E109-L111 PolarHBondContact O-N 3.1Å
110	D	51.6	Low	72.2	Confident	133 Å²	133	68 Å²	68	71%	0.711	35%	0.347	S	S	*	.			trans	53.1	-4.1	145.2	-79.3	-27.4	0	0	0	122.6	S112	D110-S112 PolarHBondContact O-N 3.13Å
111	L	53.4	Low	72.7	Confident	83 Å²	83	65.4 Å²	65.4	44%	0.435	33%	0.33	S	S	.	.			trans	-83.5	60.6	177.7	-76.7	149.2	0	0	0	111.9	E109 A113 W213	E109-L111 VanDerWaalsContact C-N 3.27Å; E109-L111 PolarHBondContact O-N 3.1Å; L111-A113 PolarHBondContact O-N 3.05Å; L111-W213 HydrophobicContact CB-CH2 3.99Å; L111-W213 HydrophobicContact CB-CZ2 4.26Å; L111-W213 HydrophobicContact CD2-CH2 4.19Å; L111-W213 HydrophobicContact CD2-CZ2 4.11Å
112	S	59.6	Low	73.3	Confident	19 Å²	19	62.8 Å²	62.8	13%	0.133	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	114.2	167.4	58.1	0	0	0	0	110.3	D110	D110-S112 PolarHBondContact O-N 3.13Å
113	A	64.6	Low	74	Confident	7 Å²	7	60.3 Å²	60.3	6%	0.058	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-27.1	177.4	0	0	0	0	0	112.7	L105 L111 L209 W213 M224	L105-A113 HydrophobicContact CD1-CB 3.97Å; L111-A113 PolarHBondContact O-N 3.05Å; A113-L209 HydrophobicContact CB-CD2 4.22Å; A113-W213 HydrophobicContact CB-CH2 4.05Å; A113-W213 HydrophobicContact CB-CZ2 3.46Å; A113-W213 VanDerWaalsContact CB-CZ2 3.46Å; A113-M224 HydrophobicContact CB-SD 3.86Å
114	A	82.8	Confident	75.3	Confident	3 Å²	3	59.5 Å²	59.5	3%	0.025	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	145.1	-171.7	0	0	0	0	0	111	L103 V202 E203 I204 M224	L103-A114 HydrophobicContact CB-CB 4.47Å; L103-A114 HydrophobicContact CD1-CB 4.03Å; L103-A114 PolarHBondContact N-O 2.84Å; L103-A114 VanDerWaalsContact N-O 3.16Å; A114-V202 HydrophobicContact CB-CG1 3.98Å; A114-E203 CarbonylContact C-O 3.56Å; A114-E203 VanDerWaalsContact CA-O 3.24Å; A114-E203 WeakPolarHBondContact CA-O 3.31Å; A114-E203 WeakPolarHBondContact CB-O 3.49Å; A114-I204 HydrophobicContact CB-CG1 4.1Å; A114-M224 HydrophobicContact CB-SD 4.21Å
115	N	90.3	Very high	76.7	Confident	56 Å²	56	58.6 Å²	58.6	30%	0.299	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	146.3	169.7	-60.2	-39.1	0	0	0	109	P100 W117 V202 E203	P100-N115 HydrophobicContact CB-CB 4.33Å; N115-W117 HydrophobicContact CB-CE3 4.21Å; N115-W117 HydrophobicContact CB-CH2 3.16Å; N115-W117 HydrophobicContact CB-CZ2 4.04Å; N115-W117 HydrophobicContact CB-CZ3 3.27Å; N115-V202 CarbonylContact O-C 3.54Å; N115-V202 WeakPolarHBondContact O-CA 3.5Å; N115-E203 HydrophobicContact CB-CB 4.39Å; N115-E203 PolarHBondContact N-O 2.96Å; N115-E203 PolarHBondContact O-N 3.21Å
116	H	92.9	Very high	78.1	Confident	18 Å²	18	58.9 Å²	58.9	8%	0.083	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	132.2	-174.3	172.9	-122.3	0	0	0	111.2	P100 N101 L103 Q200 F201	P100-H116 CarbonylContact C-O 3.54Å; P100-H116 WeakPolarHBondContact CA-O 3.45Å; N101-H116 HydrophobicContact CB-CB 4.46Å; N101-H116 PolarHBondContact N-O 3.37Å; N101-H116 WeakPolarHBondContact O-CB 3.4Å; N101-H116 PolarHBondContact O-N 3.23Å; L103-H116 HydrophobicContact CD1-CB 3.84Å; L103-H116 HydrophobicContact CG-CB 3.84Å; H116-Q200 PolarHBondContact CE1-OE1 2.98Å; H116-Q200 PolarHBondContact NE2-OE1 3.33Å; H116-F201 CarbonylContact C-O 3.5Å; H116-F201 VanDerWaalsContact CA-O 3.31Å; H116-F201 WeakPolarHBondContact CA-O 2.87Å
117	W	95.1	Very high	79.7	Confident	10 Å²	10	55.6 Å²	55.6	4%	0.038	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	146.4	177.5	-62.4	-103.1	0	0	0	111.2	P100 N115 E123 F124 F201 E203	P100-W117 HydrophobicContact CB-CD2 4.25Å; P100-W117 HydrophobicContact CB-CH2 4.34Å; P100-W117 HydrophobicContact CB-CZ2 3.66Å; P100-W117 HydrophobicContact CG-CZ2 4.22Å; N115-W117 HydrophobicContact CB-CE3 4.21Å; N115-W117 HydrophobicContact CB-CH2 3.16Å; N115-W117 HydrophobicContact CB-CZ2 4.04Å; N115-W117 HydrophobicContact CB-CZ3 3.27Å; W117-E123 PolarHBondContact NE1-OE2 3.3Å; W117-F124 HydrophobicContact CB-CE2 4.45Å; W117-F124 HydrophobicContact CB-CZ 4.45Å; W117-F124 AromaticContact CD2-CZ 3.78Å; W117-F124 HydrophobicContact CD2-CZ 3.78Å; W117-F124 AromaticContact CE2-CZ 3.88Å; W117-F124 HydrophobicContact CE3-CZ 4.3Å; W117-F124 HydrophobicContact CG-CE2 4.34Å; W117-F124 AromaticContact CG-CZ 3.88Å; W117-F124 HydrophobicContact CG-CZ 3.88Å; W117-F124 HydrophobicContact CZ2-CZ 4.47Å; W117-F201 HydrophobicContact CB-CB 4.3Å; W117-F201 AromaticContact CE3-CD1 3.68Å; W117-F201 HydrophobicContact CE3-CD1 3.68Å; W117-F201 HydrophobicContact CE3-CE1 4.46Å; W117-F201 AromaticContact CZ3-CD1 3.97Å; W117-F201 HydrophobicContact CZ3-CD1 3.97Å; W117-F201 HydrophobicContact CZ3-CE1 4.35Å; W117-F201 PolarHBondContact N-O 2.8Å; W117-F201 PolarHBondContact O-N 3.49Å; W117-E203 HydrophobicContact CH2-CB 4.05Å; W117-E203 WeakPolarHBondContact CH2-OE2 3.29Å; W117-E203 HydrophobicContact CZ3-CB 3.55Å
118	L	95.3	Very high	81.6	Confident	45 Å²	45	46.9 Å²	46.9	24%	0.236	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	126.7	166	-60.4	-177.8	0	0	0	109.7	N96 P120 A121	N96-L118 HydrophobicContact CB-CB 4.35Å; N96-L118 WeakPolarHBondContact ND2-CB 3.44Å; N96-L118 PolarHBondContact ND2-O 3.48Å; L118-P120 CarbonylContact O-C 3.45Å; L118-A121 WeakPolarHBondContact O-CB 3.45Å
119	L	95.5	Very high	83.8	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	143	177.8	-59.4	176	0	0	0	111.3	A121 F124 A185 G199 F201 F240	L119-A121 HydrophobicContact CD2-CB 4.15Å; L119-F124 HydrophobicContact CD2-CD2 3.58Å; L119-F124 HydrophobicContact CD2-CE2 3.75Å; L119-A185 HydrophobicContact CD1-CB 3.77Å; L119-G199 PolarHBondContact N-O 3.34Å; L119-G199 PolarHBondContact O-N 2.84Å; L119-F201 HydrophobicContact CD1-CB 4.01Å; L119-F201 HydrophobicContact CD1-CD2 4.39Å; L119-F201 HydrophobicContact CD2-CB 4.18Å; L119-F201 HydrophobicContact CG-CB 4.04Å; L119-F240 HydrophobicContact CD1-CD2 3.64Å; L119-F240 HydrophobicContact CD1-CE2 3.89Å
120	P	95.4	Very high	85.6	Confident	15 Å²	15	38.9 Å²	38.9	10%	0.097	21%	0.214	C	C	.	.	S	Bend	cis	-73.3	131.1	-0.8	-19.8	34.9	0	0	0	113.2	F93 L95 N96 L118 Q186 I190	F93-P120 HydrophobicContact CB-CG 4.07Å; F93-P120 HydrophobicContact CD2-CB 4.09Å; F93-P120 HydrophobicContact CD2-CG 4.19Å; F93-P120 HydrophobicContact CG-CG 4.45Å; L95-P120 HydrophobicContact CD2-CB 4.18Å; N96-P120 PolarHBondContact N-O 3.11Å; L118-P120 CarbonylContact O-C 3.45Å; P120-Q186 VanDerWaalsContact CA-OE1 3.29Å; P120-I190 HydrophobicContact CB-CG1 4.26Å; P120-I190 HydrophobicContact CG-CG1 3.92Å
121	A	94.8	Very high	87.5	Confident	1 Å²	1	33.4 Å²	33.4	1%	0.008	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-98.3	140.7	-176.7	0	0	0	0	0	111.5	L118 L119 E123 F124 D125 Q186	L118-A121 WeakPolarHBondContact O-CB 3.45Å; L119-A121 HydrophobicContact CD2-CB 4.15Å; A121-E123 VanDerWaalsContact C-N 3.29Å; A121-E123 PolarHBondContact O-N 3.39Å; A121-F124 HydrophobicContact CB-CD2 4.07Å; A121-F124 HydrophobicContact CB-CE2 4.45Å; A121-F124 HydrophobicContact CB-CG 4.26Å; A121-F124 PolarHBondContact O-N 3.22Å; A121-D125 PolarHBondContact O-N 3.27Å; A121-Q186 PolarHBondContact O-NE2 3.12Å
122	A	93.2	Very high	89.3	Confident	26 Å²	26	31.1 Å²	31.1	22%	0.215	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-61.5	-36.3	176.9	0	0	0	0	0	112.5	L95 N96 E97 F124 D125	L95-A122 HydrophobicContact CB-CB 4.15Å; L95-A122 HydrophobicContact CD1-CB 4.49Å; N96-A122 WeakPolarHBondContact O-CB 3.27Å; N96-A122 PolarHBondContact O-N 3.37Å; E97-A122 WeakPolarHBondContact OE2-CB 3.22Å; A122-F124 PolarHBondContact O-N 2.89Å; A122-D125 WeakPolarHBondContact O-CB 3.38Å; A122-D125 PolarHBondContact O-N 2.97Å
123	E	93.3	Very high	90.7	Very high	109 Å²	109	32 Å²	32	51%	0.509	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-62.6	-24.1	177.5	-65.9	-174.4	-178.8	0	0	113.8	P100 W117 A121	P100-E123 WeakPolarHBondContact CD-OE1 3.38Å; W117-E123 PolarHBondContact NE1-OE2 3.3Å; A121-E123 VanDerWaalsContact C-N 3.29Å; A121-E123 PolarHBondContact O-N 3.39Å
124	F	94.5	Very high	91.5	Very high	8 Å²	8	37.9 Å²	37.9	4%	0.035	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-100	-2.9	-177.9	-57.8	-11.6	0	0	0	112.3	W117 L119 A121 A122 L127 K182 Q186 F201	W117-F124 HydrophobicContact CB-CE2 4.45Å; W117-F124 HydrophobicContact CB-CZ 4.45Å; W117-F124 AromaticContact CD2-CZ 3.78Å; W117-F124 HydrophobicContact CD2-CZ 3.78Å; W117-F124 AromaticContact CE2-CZ 3.88Å; W117-F124 HydrophobicContact CE3-CZ 4.3Å; W117-F124 HydrophobicContact CG-CE2 4.34Å; W117-F124 AromaticContact CG-CZ 3.88Å; W117-F124 HydrophobicContact CG-CZ 3.88Å; W117-F124 HydrophobicContact CZ2-CZ 4.47Å; L119-F124 HydrophobicContact CD2-CD2 3.58Å; L119-F124 HydrophobicContact CD2-CE2 3.75Å; A121-F124 HydrophobicContact CB-CD2 4.07Å; A121-F124 HydrophobicContact CB-CE2 4.45Å; A121-F124 HydrophobicContact CB-CG 4.26Å; A121-F124 PolarHBondContact O-N 3.22Å; A122-F124 PolarHBondContact O-N 2.89Å; F124-L127 WeakPolarHBondContact O-CB 3.4Å; F124-L127 PolarHBondContact O-N 2.79Å; F124-K182 HydrophobicContact CD1-CB 4.13Å; F124-K182 HydrophobicContact CD1-CD 4.31Å; F124-K182 HydrophobicContact CD2-CB 4.11Å; F124-K182 HydrophobicContact CE1-CB 4.16Å; F124-K182 HydrophobicContact CE1-CD 3.65Å; F124-K182 HydrophobicContact CE1-CG 4.02Å; F124-K182 HydrophobicContact CE2-CB 4.09Å; F124-K182 HydrophobicContact CE2-CG 4.11Å; F124-K182 HydrophobicContact CG-CB 4.15Å; F124-K182 HydrophobicContact CZ-CB 4.13Å; F124-K182 HydrophobicContact CZ-CD 3.82Å; F124-K182 HydrophobicContact CZ-CG 3.8Å; F124-Q186 HydrophobicContact CB-CB 4.02Å; F124-Q186 HydrophobicContact CB-CG 4.09Å; F124-F201 HydrophobicContact CE2-CB 4.46Å; F124-F201 HydrophobicContact CE2-CD1 4.19Å; F124-F201 HydrophobicContact CE2-CG 4.18Å; F124-F201 HydrophobicContact CZ-CD1 4.3Å
125	D	91.8	Very high	91.3	Very high	62 Å²	62	43.5 Å²	43.5	33%	0.332	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	137.2	178.3	-170.7	47.5	0	0	0	111.6	L95 A121 A122 L127	L95-D125 HydrophobicContact CD1-CB 3.84Å; L95-D125 HydrophobicContact CD2-CB 4.15Å; A121-D125 PolarHBondContact O-N 3.27Å; A122-D125 WeakPolarHBondContact O-CB 3.38Å; A122-D125 PolarHBondContact O-N 2.97Å; D125-L127 PolarHBondContact O-N 3.34Å; D125-L127 VanDerWaalsContact O-N 3.07Å
126	G	89.4	Confident	91	Very high	28 Å²	28	42.1 Å²	42.1	29%	0.289	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	-4.5	-175.9	0	0	0	0	0	115.7	W128 E129 S130	G126-W128 VanDerWaalsContact C-N 3.3Å; G126-W128 PolarHBondContact O-N 3.39Å; G126-E129 VanDerWaalsContact CA-OE2 3.28Å; G126-E129 WeakPolarHBondContact CA-OE2 3.26Å; G126-E129 PolarHBondContact O-N 3.15Å; G126-S130 WeakPolarHBondContact O-CB 3.41Å; G126-S130 PolarHBondContact O-N 3.08Å
127	L	92.6	Very high	90.9	Very high	36 Å²	36	42.2 Å²	42.2	19%	0.188	24%	0.236	C	C	.	.	H	α-helix	trans	-65.3	-36.4	-178.3	-169.6	63.2	0	0	0	111.3	F124 D125 E129 S130 L131 S179 K182 A183	F124-L127 WeakPolarHBondContact O-CB 3.4Å; F124-L127 PolarHBondContact O-N 2.79Å; D125-L127 PolarHBondContact O-N 3.34Å; D125-L127 VanDerWaalsContact O-N 3.07Å; L127-E129 PolarHBondContact O-N 3.26Å; L127-S130 PolarHBondContact O-N 3.22Å; L127-S130 PolarHBondContact O-OG 3.35Å; L127-L131 HydrophobicContact CG-CD1 4.49Å; L127-L131 WeakPolarHBondContact O-CG 3.34Å; L127-L131 PolarHBondContact O-N 3.49Å; L127-S179 VanDerWaalsContact CD2-O 3.3Å; L127-S179 WeakPolarHBondContact CD2-O 3.33Å; L127-K182 HydrophobicContact CD2-CB 3.85Å; L127-A183 HydrophobicContact CB-CB 4.18Å; L127-A183 HydrophobicContact CD2-CB 4.16Å; L127-A183 HydrophobicContact CG-CB 4.02Å
128	W	92.6	Very high	90.7	Very high	21 Å²	21	42.7 Å²	42.7	8%	0.08	24%	0.238	C	C	.	.	H	α-helix	trans	-62.4	-41.9	179.2	-179.5	-98.9	0	0	0	113.1	G126 K138 L142 L180 A183 L184 K187	G126-W128 VanDerWaalsContact C-N 3.3Å; G126-W128 PolarHBondContact O-N 3.39Å; W128-K138 HydrophobicContact CD2-CD 4.37Å; W128-K138 HydrophobicContact CH2-CB 3.66Å; W128-K138 HydrophobicContact CH2-CD 4.41Å; W128-K138 HydrophobicContact CH2-CG 4.24Å; W128-K138 HydrophobicContact CZ2-CB 3.63Å; W128-K138 HydrophobicContact CZ2-CD 4.19Å; W128-K138 HydrophobicContact CZ2-CG 4.33Å; W128-K138 HydrophobicContact CZ3-CB 4.46Å; W128-K138 PolarHBondContact O-NZ 3.34Å; W128-K138 VanDerWaalsContact O-NZ 3.1Å; W128-L142 HydrophobicContact CH2-CB 4.27Å; W128-L142 HydrophobicContact CZ2-CD2 4.43Å; W128-L180 HydrophobicContact CZ3-CD1 4.28Å; W128-A183 HydrophobicContact CB-CB 4.15Å; W128-A183 HydrophobicContact CE3-CB 3.94Å; W128-L184 HydrophobicContact CH2-CD1 4.34Å; W128-L184 HydrophobicContact CZ3-CB 4.24Å; W128-L184 HydrophobicContact CZ3-CD1 4.1Å; W128-K187 HydrophobicContact CD2-CB 4.27Å; W128-K187 HydrophobicContact CD2-CD 4.22Å; W128-K187 HydrophobicContact CD2-CG 4.15Å; W128-K187 HydrophobicContact CE3-CB 4.16Å; W128-K187 HydrophobicContact CE3-CG 4.47Å; W128-K187 HydrophobicContact CG-CD 4.05Å; W128-K187 HydrophobicContact CG-CG 4.49Å; W128-K187 HydrophobicContact CZ2-CG 4.39Å; W128-K187 HydrophobicContact CZ3-CB 4.47Å
129	E	88.9	Confident	90.4	Very high	98 Å²	98	41.6 Å²	41.6	46%	0.458	23%	0.234	S	C	.	.	H	α-helix	trans	-73.7	-34.7	178	-64.4	68.6	-150.7	0	0	110.8	G126 L127 L131 K187	G126-E129 VanDerWaalsContact CA-OE2 3.28Å; G126-E129 WeakPolarHBondContact CA-OE2 3.26Å; G126-E129 PolarHBondContact O-N 3.15Å; L127-E129 PolarHBondContact O-N 3.26Å; E129-L131 PolarHBondContact O-N 2.86Å; E129-K187 IonicContact OE1-NZ 2.75Å
130	S	90.6	Very high	90.1	Very high	38 Å²	38	47.4 Å²	47.4	27%	0.266	26%	0.259	S	S	.	.	H	α-helix	trans	-65.8	-25.5	177.7	85	0	0	0	0	113	G126 L127 V132 R381	G126-S130 WeakPolarHBondContact O-CB 3.41Å; G126-S130 PolarHBondContact O-N 3.08Å; L127-S130 PolarHBondContact O-N 3.22Å; L127-S130 PolarHBondContact O-OG 3.35Å; S130-V132 PolarHBondContact O-N 2.73Å; S130-R381 PolarHBondContact O-NH2 2.69Å
131	L	91.4	Very high	90	Very high	18 Å²	18	46.7 Å²	46.7	9%	0.094	25%	0.254	C	S	.	.			trans	-88.1	116.5	-177.5	-66.2	173.2	0	0	0	110.7	L127 E129 Y133 K138 L180 A183	L127-L131 HydrophobicContact CG-CD1 4.49Å; L127-L131 WeakPolarHBondContact O-CG 3.34Å; L127-L131 PolarHBondContact O-N 3.49Å; E129-L131 PolarHBondContact O-N 2.86Å; L131-Y133 HydrophobicContact CB-CD2 4.24Å; L131-Y133 HydrophobicContact CB-CE2 3.6Å; L131-Y133 HydrophobicContact CD1-CE2 4.21Å; L131-Y133 HydrophobicContact CG-CE2 4.32Å; L131-K138 PolarHBondContact O-NZ 3.24Å; L131-L180 HydrophobicContact CD1-CB 4.01Å; L131-L180 HydrophobicContact CD1-CD1 4.34Å; L131-A183 HydrophobicContact CD1-CB 4.03Å
132	V	90.1	Very high	89.8	Confident	35 Å²	35	46.9 Å²	46.9	21%	0.212	26%	0.255	C	S	.	.			trans	-107.1	116.1	178.7	-174.4	0	0	0	0	109.2	S130 N321 I322	S130-V132 PolarHBondContact O-N 2.73Å; V132-N321 HydrophobicContact CG1-CB 4Å; V132-N321 HydrophobicContact CG2-CB 4.35Å; V132-I322 HydrophobicContact CB-CG1 4.08Å; V132-I322 HydrophobicContact CG2-CG1 4.09Å
133	Y	89.1	Confident	89.7	Confident	38 Å²	38	48.8 Å²	48.8	15%	0.149	26%	0.262	C	S	.	.			trans	-123.6	176.4	177.2	-64.5	-64	0	0	0	110.6	L131 K138 T175 G176 L180 I311	L131-Y133 HydrophobicContact CB-CD2 4.24Å; L131-Y133 HydrophobicContact CB-CE2 3.6Å; L131-Y133 HydrophobicContact CD1-CE2 4.21Å; L131-Y133 HydrophobicContact CG-CE2 4.32Å; Y133-K138 HydrophobicContact CD2-CD 4.17Å; Y133-K138 HydrophobicContact CD2-CG 3.91Å; Y133-T175 WeakPolarHBondContact CE1-O 3.46Å; Y133-T175 PolarHBondContact OH-O 3.24Å; Y133-G176 PolarHBondContact OH-O 2.85Å; Y133-L180 HydrophobicContact CD2-CD2 4.31Å; Y133-L180 HydrophobicContact CE2-CB 4.23Å; Y133-L180 HydrophobicContact CE2-CD1 3.91Å; Y133-L180 HydrophobicContact CE2-CD2 3.71Å; Y133-L180 HydrophobicContact CE2-CG 4.16Å; Y133-I311 HydrophobicContact CD1-CG2 4.03Å; Y133-I311 HydrophobicContact CE1-CG2 3.43Å; Y133-I311 VanDerWaalsContact CE1-CG2 3.43Å
134	E	82.4	Confident	89.6	Confident	131 Å²	131	46.3 Å²	46.3	61%	0.612	25%	0.248	S	C	*	.	S	Bend	trans	-62.9	150.3	168.1	-66.6	-175.9	169	0	0	110.9	G136 V137	E134-G136 PolarHBondContact O-N 2.97Å; E134-V137 HydrophobicContact CB-CG2 4.44Å; E134-V137 WeakPolarHBondContact O-CG2 3.35Å; E134-V137 PolarHBondContact O-N 2.81Å
135	T	79.4	Confident	89.4	Confident	120 Å²	120	46 Å²	46	74%	0.736	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	129	-173.2	-51.3	0	0	0	0	111.4	V137	T135-V137 PolarHBondContact O-N 3.28Å
136	G	82.8	Confident	89.4	Confident	28 Å²	28	45.4 Å²	45.4	29%	0.289	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.1	-8	173.3	0	0	0	0	0	115.5	E74 E134 K138 T139 K140	E74-G136 PolarHBondContact OE2-N 2.82Å; E134-G136 PolarHBondContact O-N 2.97Å; G136-K138 PolarHBondContact O-N 3.18Å; G136-T139 PolarHBondContact O-N 2.83Å; G136-K140 WeakPolarHBondContact O-CB 3.38Å; G136-K140 PolarHBondContact O-N 2.88Å
137	V	89.9	Confident	89.5	Confident	19 Å²	19	47.2 Å²	47.2	12%	0.115	25%	0.251	C	S	.	.	H	α-helix	trans	-60.1	-48.7	175.8	172.8	0	0	0	0	110.7	E134 T135 L141 Q309 I311	E134-V137 HydrophobicContact CB-CG2 4.44Å; E134-V137 WeakPolarHBondContact O-CG2 3.35Å; E134-V137 PolarHBondContact O-N 2.81Å; T135-V137 PolarHBondContact O-N 3.28Å; V137-L141 HydrophobicContact CG1-CD1 4.43Å; V137-L141 WeakPolarHBondContact O-CG 3.46Å; V137-L141 PolarHBondContact O-N 2.95Å; V137-Q309 HydrophobicContact CG1-CG 4.06Å; V137-I311 HydrophobicContact CG1-CD1 3.75Å
138	K	91.1	Very high	89.3	Confident	20 Å²	20	45.9 Å²	45.9	9%	0.087	25%	0.245	C	C	.	.	H	α-helix	trans	-64.9	-47.8	179.5	-70.4	-165.8	-64	-171.7	0	111.7	E74 W128 L131 Y133 G136 L141 L142 L180	E74-K138 WeakPolarHBondContact OE1-CE 3.3Å; E74-K138 IonicContact OE1-NZ 2.82Å; W128-K138 HydrophobicContact CD2-CD 4.37Å; W128-K138 HydrophobicContact CH2-CB 3.66Å; W128-K138 HydrophobicContact CH2-CD 4.41Å; W128-K138 HydrophobicContact CH2-CG 4.24Å; W128-K138 HydrophobicContact CZ2-CB 3.63Å; W128-K138 HydrophobicContact CZ2-CD 4.19Å; W128-K138 HydrophobicContact CZ2-CG 4.33Å; W128-K138 HydrophobicContact CZ3-CB 4.46Å; W128-K138 PolarHBondContact O-NZ 3.34Å; W128-K138 VanDerWaalsContact O-NZ 3.1Å; L131-K138 PolarHBondContact O-NZ 3.24Å; Y133-K138 HydrophobicContact CD2-CD 4.17Å; Y133-K138 HydrophobicContact CD2-CG 3.91Å; G136-K138 PolarHBondContact O-N 3.18Å; K138-L141 PolarHBondContact O-N 3.21Å; K138-L142 WeakPolarHBondContact O-CB 3.46Å; K138-L142 PolarHBondContact O-N 3.06Å; K138-L180 HydrophobicContact CG-CD1 4.37Å
139	T	89.1	Confident	89.1	Confident	23 Å²	23	45 Å²	45	14%	0.141	24%	0.242	C	C	.	.	H	α-helix	trans	-61.6	-46	179.5	-50.6	0	0	0	0	111.7	Q73 G136 L141 L142 D143	Q73-T139 HydrophobicContact CG-CG2 4.46Å; G136-T139 PolarHBondContact O-N 2.83Å; T139-L141 VanDerWaalsContact C-N 3.33Å; T139-L141 PolarHBondContact O-N 3.26Å; T139-L142 PolarHBondContact O-N 2.79Å; T139-L142 VanDerWaalsContact O-N 3.16Å; T139-D143 WeakPolarHBondContact CG2-OD2 3.34Å; T139-D143 WeakPolarHBondContact O-CB 3.29Å; T139-D143 PolarHBondContact O-N 2.84Å
140	K	90.6	Very high	89.1	Confident	121 Å²	121	46.6 Å²	46.6	53%	0.526	24%	0.244	S	C	.	.	H	α-helix	trans	-58.6	-42.8	177.6	-176.3	-177.9	178.7	-172.1	0	112.3	G136 Y144	G136-K140 WeakPolarHBondContact O-CB 3.38Å; G136-K140 PolarHBondContact O-N 2.88Å; K140-Y144 WeakPolarHBondContact O-CB 3.38Å; K140-Y144 PolarHBondContact O-N 3.4Å
141	L	92.4	Very high	89.2	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-65.7	-44.3	176.5	-71.5	174.6	0	0	0	111.7	V137 K138 T139 Y144 V145 V167 L169 L180 L184 I307 Q309	V137-L141 HydrophobicContact CG1-CD1 4.43Å; V137-L141 WeakPolarHBondContact O-CG 3.46Å; V137-L141 PolarHBondContact O-N 2.95Å; K138-L141 PolarHBondContact O-N 3.21Å; T139-L141 VanDerWaalsContact C-N 3.33Å; T139-L141 PolarHBondContact O-N 3.26Å; L141-Y144 PolarHBondContact O-N 3.06Å; L141-V145 WeakPolarHBondContact O-CG2 3.44Å; L141-V145 PolarHBondContact O-N 3.09Å; L141-V145 VanDerWaalsContact O-N 3.12Å; L141-V167 HydrophobicContact CD2-CG1 3.88Å; L141-L169 HydrophobicContact CD1-CD2 4.03Å; L141-L169 HydrophobicContact CD2-CD2 4.15Å; L141-L180 HydrophobicContact CD1-CD1 4.5Å; L141-L180 HydrophobicContact CD1-CD2 3.75Å; L141-L180 HydrophobicContact CD1-CG 4.2Å; L141-L184 HydrophobicContact CB-CD1 4.33Å; L141-L184 HydrophobicContact CB-CD2 4.24Å; L141-I307 HydrophobicContact CD2-CD1 4.27Å; L141-I307 HydrophobicContact CD2-CG2 3.78Å; L141-Q309 HydrophobicContact CD2-CB 4.31Å
142	L	91.9	Very high	88.9	Confident	5 Å²	5	47.5 Å²	47.5	3%	0.026	24%	0.243	C	C	.	.	H	α-helix	trans	-62.9	-49.2	179.4	-174	66.2	0	0	0	111.7	W128 K138 T139 Y144 V145 T146 L184 K187 L188	W128-L142 HydrophobicContact CH2-CB 4.27Å; W128-L142 HydrophobicContact CZ2-CD2 4.43Å; K138-L142 WeakPolarHBondContact O-CB 3.46Å; K138-L142 PolarHBondContact O-N 3.06Å; T139-L142 PolarHBondContact O-N 2.79Å; T139-L142 VanDerWaalsContact O-N 3.16Å; L142-Y144 VanDerWaalsContact C-N 3.31Å; L142-Y144 PolarHBondContact O-N 2.81Å; L142-V145 PolarHBondContact O-N 3.41Å; L142-T146 VanDerWaalsContact O-CB 3.29Å; L142-T146 WeakPolarHBondContact O-CB 3.31Å; L142-T146 PolarHBondContact O-N 3.35Å; L142-T146 PolarHBondContact O-OG1 3.11Å; L142-L184 HydrophobicContact CB-CD1 4.36Å; L142-L184 HydrophobicContact CD1-CD1 4.14Å; L142-K187 HydrophobicContact CD1-CB 4.37Å; L142-K187 HydrophobicContact CD1-CG 4.14Å; L142-K187 HydrophobicContact CD2-CG 4.41Å; L142-L188 HydrophobicContact CD1-CD2 3.69Å; L142-L188 HydrophobicContact CD1-CG 3.88Å
143	D	90.6	Very high	88.8	Confident	67 Å²	67	48.8 Å²	48.8	36%	0.358	25%	0.249	S	C	.	.	H	α-helix	trans	-63.4	-39.7	-179.5	-66.9	-15.4	0	0	0	111.1	T139 T147	T139-D143 WeakPolarHBondContact CG2-OD2 3.34Å; T139-D143 WeakPolarHBondContact O-CB 3.29Å; T139-D143 PolarHBondContact O-N 2.84Å; D143-T147 VanDerWaalsContact O-CB 3.31Å; D143-T147 WeakPolarHBondContact O-CB 3.37Å; D143-T147 PolarHBondContact O-N 2.99Å; D143-T147 PolarHBondContact O-OG1 3.21Å
144	Y	90.6	Very high	88.9	Confident	56 Å²	56	53.1 Å²	53.1	22%	0.22	27%	0.269	C	S	.	.	H	α-helix	trans	-62.1	-51.6	177.7	-178.7	-97.2	0	0	0	112.7	K140 L141 L142 T146 T147 T148 D306 I307	K140-Y144 WeakPolarHBondContact O-CB 3.38Å; K140-Y144 PolarHBondContact O-N 3.4Å; L141-Y144 PolarHBondContact O-N 3.06Å; L142-Y144 VanDerWaalsContact C-N 3.31Å; L142-Y144 PolarHBondContact O-N 2.81Å; Y144-T146 VanDerWaalsContact C-N 3.3Å; Y144-T146 PolarHBondContact O-N 2.81Å; Y144-T147 PolarHBondContact O-N 3.5Å; Y144-T148 WeakPolarHBondContact CE1-OG1 3.43Å; Y144-T148 PolarHBondContact O-N 3.05Å; Y144-T148 PolarHBondContact O-OG1 3.3Å; Y144-D306 HydrophobicContact CE1-CB 4.18Å; Y144-D306 HydrophobicContact CE2-CB 4.39Å; Y144-D306 WeakPolarHBondContact OH-CB 3.48Å; Y144-D306 PolarHBondContact OH-OD2 3.04Å; Y144-I307 HydrophobicContact CD1-CD1 3.35Å; Y144-I307 HydrophobicContact CD1-CG1 3.63Å; Y144-I307 HydrophobicContact CD2-CD1 3.46Å; Y144-I307 VanDerWaalsContact CD2-CD1 3.46Å; Y144-I307 HydrophobicContact CD2-CG1 3.74Å; Y144-I307 HydrophobicContact CE1-CD1 4.08Å; Y144-I307 HydrophobicContact CE1-CG1 3.81Å; Y144-I307 HydrophobicContact CE2-CD1 4.15Å; Y144-I307 HydrophobicContact CE2-CG1 3.9Å; Y144-I307 HydrophobicContact CG-CD1 3.02Å; Y144-I307 HydrophobicContact CG-CG1 3.62Å
145	V	90.6	Very high	89.2	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.006	28%	0.276	C	S	.	.	H	α-helix	trans	-68.1	-37	-178.2	-178.7	0	0	0	0	110.3	L141 L142 T147 T148 I149 V167 L184 L188 V286	L141-V145 WeakPolarHBondContact O-CG2 3.44Å; L141-V145 PolarHBondContact O-N 3.09Å; L141-V145 VanDerWaalsContact O-N 3.12Å; L142-V145 PolarHBondContact O-N 3.41Å; V145-T147 VanDerWaalsContact C-N 3.34Å; V145-T147 PolarHBondContact O-N 2.67Å; V145-T148 WeakPolarHBondContact O-CB 3.27Å; V145-T148 PolarHBondContact O-N 3.1Å; V145-I149 HydrophobicContact CG1-CD1 4.12Å; V145-I149 WeakPolarHBondContact O-CG1 3.31Å; V145-I149 PolarHBondContact O-N 3.07Å; V145-V167 HydrophobicContact CG2-CG2 4.08Å; V145-L184 HydrophobicContact CG2-CD2 4.25Å; V145-L188 HydrophobicContact CB-CD1 3.75Å; V145-L188 HydrophobicContact CB-CD2 4.24Å; V145-L188 HydrophobicContact CG1-CD1 3.34Å; V145-L188 HydrophobicContact CG1-CD2 4.15Å; V145-L188 HydrophobicContact CG1-CG 4.4Å; V145-L188 HydrophobicContact CG2-CD1 4.36Å; V145-V286 HydrophobicContact CG1-CB 4.48Å; V145-V286 HydrophobicContact CG1-CG1 3.97Å; V145-V286 HydrophobicContact CG1-CG2 3.72Å; V145-V286 HydrophobicContact CG2-CG1 4.45Å
146	T	91.1	Very high	89.7	Confident	50 Å²	50	50.2 Å²	50.2	31%	0.307	26%	0.255	S	S	.	.	H	α-helix	trans	-59.8	-44.8	172.8	-56.6	0	0	0	0	111.3	L142 Y144 T148 I149 Y150	L142-T146 VanDerWaalsContact O-CB 3.29Å; L142-T146 WeakPolarHBondContact O-CB 3.31Å; L142-T146 PolarHBondContact O-N 3.35Å; L142-T146 PolarHBondContact O-OG1 3.11Å; Y144-T146 VanDerWaalsContact C-N 3.3Å; Y144-T146 PolarHBondContact O-N 2.81Å; T146-T148 VanDerWaalsContact C-N 3.34Å; T146-T148 PolarHBondContact O-N 3.21Å; T146-I149 PolarHBondContact O-N 3.4Å; T146-Y150 WeakPolarHBondContact O-CB 3.42Å; T146-Y150 PolarHBondContact O-N 2.79Å
147	T	91.3	Very high	89.9	Confident	66 Å²	66	52.4 Å²	52.4	41%	0.405	26%	0.259	S	S	.	.	H	α-helix	trans	-64.4	-39.6	177.1	-57.8	0	0	0	0	111.6	D143 Y144 V145 I149 Y150 F151	D143-T147 VanDerWaalsContact O-CB 3.31Å; D143-T147 WeakPolarHBondContact O-CB 3.37Å; D143-T147 PolarHBondContact O-N 2.99Å; D143-T147 PolarHBondContact O-OG1 3.21Å; Y144-T147 PolarHBondContact O-N 3.5Å; V145-T147 VanDerWaalsContact C-N 3.34Å; V145-T147 PolarHBondContact O-N 2.67Å; T147-I149 VanDerWaalsContact C-N 3.31Å; T147-I149 PolarHBondContact O-N 3.38Å; T147-Y150 WeakPolarHBondContact O-CB 3.36Å; T147-Y150 PolarHBondContact O-N 3.28Å; T147-F151 HydrophobicContact CG2-CD1 4.14Å; T147-F151 HydrophobicContact CG2-CE1 3.83Å; T147-F151 HydrophobicContact CG2-CE2 4.43Å; T147-F151 HydrophobicContact CG2-CZ 3.99Å; T147-F151 PolarHBondContact O-N 2.62Å
148	T	88.6	Confident	89.6	Confident	8 Å²	8	54.7 Å²	54.7	5%	0.049	28%	0.276	C	S	.	.	H	α-helix	trans	-59.8	-42.7	177.1	-60.8	0	0	0	0	111.6	Y144 V145 T146 S152 R165	Y144-T148 WeakPolarHBondContact CE1-OG1 3.43Å; Y144-T148 PolarHBondContact O-N 3.05Å; Y144-T148 PolarHBondContact O-OG1 3.3Å; V145-T148 WeakPolarHBondContact O-CB 3.27Å; V145-T148 PolarHBondContact O-N 3.1Å; T146-T148 VanDerWaalsContact C-N 3.34Å; T146-T148 PolarHBondContact O-N 3.21Å; T148-S152 WeakPolarHBondContact O-CB 3.29Å; T148-S152 PolarHBondContact O-N 3.23Å; T148-S152 VanDerWaalsContact O-N 3.13Å; T148-S152 PolarHBondContact O-OG 3.23Å; T148-R165 HydrophobicContact CG2-CB 4.25Å; T148-R165 HydrophobicContact CG2-CG 3.77Å
149	I	88.3	Confident	89.3	Confident	4 Å²	4	60.5 Å²	60.5	2%	0.021	31%	0.309	C	S	.	.	H	α-helix	trans	-70.1	-43	177.1	-67.7	168.5	0	0	0	110	V145 T146 T147 F151 S152 D153 L192 Y196 L238 V286	V145-I149 HydrophobicContact CG1-CD1 4.12Å; V145-I149 WeakPolarHBondContact O-CG1 3.31Å; V145-I149 PolarHBondContact O-N 3.07Å; T146-I149 PolarHBondContact O-N 3.4Å; T147-I149 VanDerWaalsContact C-N 3.31Å; T147-I149 PolarHBondContact O-N 3.38Å; I149-F151 PolarHBondContact O-N 2.8Å; I149-S152 WeakPolarHBondContact O-CA 3.01Å; I149-S152 WeakPolarHBondContact O-CB 3.39Å; I149-S152 PolarHBondContact O-N 2.71Å; I149-S152 VanDerWaalsContact O-N 3.1Å; I149-D153 PolarHBondContact O-N 3.47Å; I149-L192 HydrophobicContact CD1-CD1 3.29Å; I149-L192 HydrophobicContact CG1-CD1 4.46Å; I149-L192 HydrophobicContact CG2-CD1 4.23Å; I149-Y196 HydrophobicContact CG2-CE2 3.96Å; I149-L238 HydrophobicContact CD1-CD1 3.82Å; I149-L238 HydrophobicContact CD1-CD2 3.89Å; I149-L238 HydrophobicContact CG1-CD1 4.49Å; I149-V286 HydrophobicContact CD1-CG2 4.36Å
150	Y	90.4	Very high	89.3	Confident	131 Å²	131	66.3 Å²	66.3	51%	0.514	34%	0.338	S	S	.	.	H	α-helix	trans	-58.3	-44.7	175.9	178	-107.6	0	0	0	112.8	T146 T147 S152 D153 K154	T146-Y150 WeakPolarHBondContact O-CB 3.42Å; T146-Y150 PolarHBondContact O-N 2.79Å; T147-Y150 WeakPolarHBondContact O-CB 3.36Å; T147-Y150 PolarHBondContact O-N 3.28Å; Y150-S152 VanDerWaalsContact C-N 3.29Å; Y150-S152 PolarHBondContact O-N 2.71Å; Y150-D153 PolarHBondContact O-N 2.85Å; Y150-K154 HydrophobicContact CE1-CG 4.26Å; Y150-K154 HydrophobicContact CE2-CD 4.45Å; Y150-K154 VanDerWaalsContact CE2-CE 3.5Å; Y150-K154 HydrophobicContact CE2-CG 4.08Å; Y150-K154 WeakPolarHBondContact O-CG 3.49Å; Y150-K154 PolarHBondContact O-N 3.04Å; Y150-K154 WeakPolarHBondContact OH-CE 3.45Å
151	F	91.1	Very high	89.1	Confident	69 Å²	69	65 Å²	65	30%	0.303	34%	0.335	S	S	.	.	H	α-helix	trans	-63.9	-37	175.6	-78.9	12.9	0	0	0	112	T147 I149 K154 N155 V156 W163	T147-F151 HydrophobicContact CG2-CD1 4.14Å; T147-F151 HydrophobicContact CG2-CE1 3.83Å; T147-F151 HydrophobicContact CG2-CE2 4.43Å; T147-F151 HydrophobicContact CG2-CZ 3.99Å; T147-F151 PolarHBondContact O-N 2.62Å; I149-F151 PolarHBondContact O-N 2.8Å; F151-K154 PolarHBondContact O-N 3.25Å; F151-N155 PolarHBondContact O-N 3.46Å; F151-V156 HydrophobicContact CB-CB 4.41Å; F151-V156 HydrophobicContact CB-CG2 4.26Å; F151-V156 HydrophobicContact CG-CG2 4.38Å; F151-V156 PolarHBondContact O-N 2.89Å; F151-V156 VanDerWaalsContact O-N 3.15Å; F151-W163 HydrophobicContact CB-CH2 4.13Å; F151-W163 HydrophobicContact CB-CZ2 3.9Å; F151-W163 HydrophobicContact CB-CZ3 4.5Å; F151-W163 HydrophobicContact CD2-CD2 4.31Å; F151-W163 AromaticContact CD2-CE3 3.92Å; F151-W163 HydrophobicContact CD2-CE3 3.92Å; F151-W163 HydrophobicContact CD2-CH2 4.41Å; F151-W163 AromaticContact CD2-CZ3 3.96Å; F151-W163 HydrophobicContact CD2-CZ3 3.96Å
152	S	86.5	Confident	88.6	Confident	5 Å²	5	69.2 Å²	69.2	4%	0.035	37%	0.365	C	S	.	.	H	α-helix	trans	-66.1	-42.1	176.4	-59.9	0	0	0	0	111.6	T148 I149 Y150 K154 N155 R165	T148-S152 WeakPolarHBondContact O-CB 3.29Å; T148-S152 PolarHBondContact O-N 3.23Å; T148-S152 VanDerWaalsContact O-N 3.13Å; T148-S152 PolarHBondContact O-OG 3.23Å; I149-S152 WeakPolarHBondContact O-CA 3.01Å; I149-S152 WeakPolarHBondContact O-CB 3.39Å; I149-S152 PolarHBondContact O-N 2.71Å; I149-S152 VanDerWaalsContact O-N 3.1Å; Y150-S152 VanDerWaalsContact C-N 3.29Å; Y150-S152 PolarHBondContact O-N 2.71Å; S152-K154 VanDerWaalsContact C-N 3.3Å; S152-K154 PolarHBondContact O-N 3.43Å; S152-N155 PolarHBondContact O-N 2.87Å; S152-N155 VanDerWaalsContact O-N 3.11Å; S152-R165 PolarHBondContact OG-NE 2.94Å; S152-R165 PolarHBondContact OG-NH2 2.82Å
153	D	87.6	Confident	88.3	Confident	62 Å²	62	70.2 Å²	70.2	33%	0.332	37%	0.369	S	S	.	.	H	α-helix	trans	-66.9	-30.2	176.1	-82.6	-15	0	0	0	112.9	I149 Y150 N155 R195	I149-D153 PolarHBondContact O-N 3.47Å; Y150-D153 PolarHBondContact O-N 2.85Å; D153-N155 PolarHBondContact O-N 3.43Å; D153-R195 VanDerWaalsContact CG-NE 3.31Å; D153-R195 IonicContact OD1-CZ 3.05Å; D153-R195 IonicContact OD1-NE 2.89Å; D153-R195 PolarHBondContact OD1-NE 2.83Å; D153-R195 IonicContact OD1-NH2 3.33Å; D153-R195 PolarHBondContact OD1-NH2 3.16Å; D153-R195 WeakPolarHBondContact OD2-CD 3.26Å; D153-R195 IonicContact OD2-NE 2.94Å; D153-R195 PolarHBondContact OD2-NE 3.12Å
154	K	91	Very high	87.7	Confident	130 Å²	130	69 Å²	69	57%	0.565	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	2.2	174.4	-65.2	-62	179.6	-174.3	0	113.7	Y150 F151 S152 V156	Y150-K154 HydrophobicContact CE1-CG 4.26Å; Y150-K154 HydrophobicContact CE2-CD 4.45Å; Y150-K154 VanDerWaalsContact CE2-CE 3.5Å; Y150-K154 HydrophobicContact CE2-CG 4.08Å; Y150-K154 WeakPolarHBondContact O-CG 3.49Å; Y150-K154 PolarHBondContact O-N 3.04Å; Y150-K154 WeakPolarHBondContact OH-CE 3.45Å; F151-K154 PolarHBondContact O-N 3.25Å; S152-K154 VanDerWaalsContact C-N 3.3Å; S152-K154 PolarHBondContact O-N 3.43Å; K154-V156 HydrophobicContact CB-CG2 4.13Å; K154-V156 PolarHBondContact O-N 2.65Å
155	N	87.9	Confident	87.6	Confident	144 Å²	144	67.8 Å²	67.8	77%	0.77	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	41.7	-177.6	-64.4	-48.2	0	0	0	112.6	F151 S152 D153 D157	F151-N155 PolarHBondContact O-N 3.46Å; S152-N155 PolarHBondContact O-N 2.87Å; S152-N155 VanDerWaalsContact O-N 3.11Å; D153-N155 PolarHBondContact O-N 3.43Å; N155-D157 PolarHBondContact O-N 3.25Å
156	V	89.6	Confident	87.6	Confident	46 Å²	46	68.1 Å²	68.1	28%	0.279	36%	0.359	S	S	.	.			trans	-62.2	136	174.5	177.2	0	0	0	0	108.6	F151 K154 S158 I161 W163	F151-V156 HydrophobicContact CB-CB 4.41Å; F151-V156 HydrophobicContact CB-CG2 4.26Å; F151-V156 HydrophobicContact CG-CG2 4.38Å; F151-V156 PolarHBondContact O-N 2.89Å; F151-V156 VanDerWaalsContact O-N 3.15Å; K154-V156 HydrophobicContact CB-CG2 4.13Å; K154-V156 PolarHBondContact O-N 2.65Å; V156-S158 PolarHBondContact O-N 2.81Å; V156-I161 HydrophobicContact CG1-CB 4.21Å; V156-I161 HydrophobicContact CG1-CD1 3.9Å; V156-I161 HydrophobicContact CG1-CG1 4.48Å; V156-W163 HydrophobicContact CB-CH2 3.44Å; V156-W163 VanDerWaalsContact CB-CH2 3.44Å; V156-W163 HydrophobicContact CB-CZ2 4.35Å; V156-W163 HydrophobicContact CB-CZ3 4.02Å; V156-W163 HydrophobicContact CG1-CH2 3.48Å; V156-W163 VanDerWaalsContact CG1-CH2 3.48Å; V156-W163 HydrophobicContact CG1-CZ3 3.54Å; V156-W163 WeakPolarHBondContact O-CH2 3.31Å
157	D	86.7	Confident	87.7	Confident	73 Å²	73	65.9 Å²	65.9	39%	0.39	35%	0.345	S	S	.	.			trans	-72	113.3	-178	-174.2	-6.9	0	0	0	110.9	N155 N159 L160 I161	N155-D157 PolarHBondContact O-N 3.25Å; D157-N159 PolarHBondContact O-N 3.01Å; D157-N159 WeakPolarHBondContact OD1-CB 3.39Å; D157-N159 PolarHBondContact OD1-N 2.83Å; D157-N159 PolarHBondContact OD1-ND2 2.89Å; D157-L160 HydrophobicContact CB-CB 4.43Å; D157-L160 HydrophobicContact CB-CD1 4.17Å; D157-L160 HydrophobicContact CB-CG 4.22Å; D157-L160 PolarHBondContact O-N 2.75Å; D157-L160 VanDerWaalsContact O-N 3.12Å; D157-I161 PolarHBondContact O-N 2.88Å
158	S	84.6	Confident	87.8	Confident	67 Å²	67	62.8 Å²	62.8	47%	0.469	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-18.3	179.7	58.2	0	0	0	0	113.8	V156 I161	V156-S158 PolarHBondContact O-N 2.81Å; S158-I161 CarbonylContact C-O 3.55Å; S158-I161 VanDerWaalsContact CA-O 3.3Å; S158-I161 WeakPolarHBondContact CA-O 3.23Å
159	N	85.3	Confident	88.1	Confident	143 Å²	143	62.5 Å²	62.5	77%	0.765	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-25.2	175.9	-57.9	-58.2	0	0	0	112.2	D157	D157-N159 PolarHBondContact O-N 3.01Å; D157-N159 WeakPolarHBondContact OD1-CB 3.39Å; D157-N159 PolarHBondContact OD1-N 2.83Å; D157-N159 PolarHBondContact OD1-ND2 2.89Å
160	L	88.6	Confident	88.4	Confident	145 Å²	145	63.8 Å²	63.8	76%	0.759	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-43.4	179.6	-62.6	179.6	0	0	0	111.5	D157	D157-L160 HydrophobicContact CB-CB 4.43Å; D157-L160 HydrophobicContact CB-CD1 4.17Å; D157-L160 HydrophobicContact CB-CG 4.22Å; D157-L160 PolarHBondContact O-N 2.75Å; D157-L160 VanDerWaalsContact O-N 3.12Å
161	I	87.1	Confident	88.5	Confident	92 Å²	92	57.5 Å²	57.5	47%	0.472	31%	0.306	S	S	.	.	S	Bend	trans	-120.7	107.1	177.6	-58.4	175.4	0	0	0	105.9	V156 D157 S158 W163	V156-I161 HydrophobicContact CG1-CB 4.21Å; V156-I161 HydrophobicContact CG1-CD1 3.9Å; V156-I161 HydrophobicContact CG1-CG1 4.48Å; D157-I161 PolarHBondContact O-N 2.88Å; S158-I161 CarbonylContact C-O 3.55Å; S158-I161 VanDerWaalsContact CA-O 3.3Å; S158-I161 WeakPolarHBondContact CA-O 3.23Å; I161-W163 HydrophobicContact CB-CE3 4.31Å; I161-W163 HydrophobicContact CB-CZ3 3.84Å; I161-W163 HydrophobicContact CG2-CE3 3.82Å; I161-W163 HydrophobicContact CG2-CZ3 3.75Å; I161-W163 WeakPolarHBondContact O-CZ3 3.44Å
162	S	80.6	Confident	88.5	Confident	90 Å²	90	56.3 Å²	56.3	63%	0.629	31%	0.305	S	S	*	.			trans	-86.7	126.6	-176.4	-176.2	0	0	0	0	111
163	W	85.5	Confident	88.7	Confident	26 Å²	26	60.1 Å²	60.1	10%	0.098	33%	0.329	C	S	.	.			trans	-140.4	128.6	161.5	64.3	88.6	0	0	0	108.7	F151 V156 I161 D306	F151-W163 HydrophobicContact CB-CH2 4.13Å; F151-W163 HydrophobicContact CB-CZ2 3.9Å; F151-W163 HydrophobicContact CB-CZ3 4.5Å; F151-W163 HydrophobicContact CD2-CD2 4.31Å; F151-W163 AromaticContact CD2-CE3 3.92Å; F151-W163 HydrophobicContact CD2-CE3 3.92Å; F151-W163 HydrophobicContact CD2-CH2 4.41Å; F151-W163 AromaticContact CD2-CZ3 3.96Å; F151-W163 HydrophobicContact CD2-CZ3 3.96Å; V156-W163 HydrophobicContact CB-CH2 3.44Å; V156-W163 VanDerWaalsContact CB-CH2 3.44Å; V156-W163 HydrophobicContact CB-CZ2 4.35Å; V156-W163 HydrophobicContact CB-CZ3 4.02Å; V156-W163 HydrophobicContact CG1-CH2 3.48Å; V156-W163 VanDerWaalsContact CG1-CH2 3.48Å; V156-W163 HydrophobicContact CG1-CZ3 3.54Å; V156-W163 WeakPolarHBondContact O-CH2 3.31Å; I161-W163 HydrophobicContact CB-CE3 4.31Å; I161-W163 HydrophobicContact CB-CZ3 3.84Å; I161-W163 HydrophobicContact CG2-CE3 3.82Å; I161-W163 HydrophobicContact CG2-CZ3 3.75Å; I161-W163 WeakPolarHBondContact O-CZ3 3.44Å; W163-D306 VanDerWaalsContact C-OD2 3.23Å; W163-D306 VanDerWaalsContact CA-OD2 3.27Å; W163-D306 WeakPolarHBondContact CA-OD2 3.5Å; W163-D306 VanDerWaalsContact CB-OD2 3.31Å; W163-D306 WeakPolarHBondContact CB-OD2 3.27Å
164	N	78.9	Confident	88.8	Confident	40 Å²	40	57.8 Å²	57.8	21%	0.214	32%	0.32	C	S	.	.			trans	-97.9	103.2	172	-53.9	-76.2	0	0	0	108.6	V166 R304 D306	N164-V166 HydrophobicContact CB-CG2 4.34Å; N164-V166 WeakPolarHBondContact O-CA 3.33Å; N164-V166 WeakPolarHBondContact O-CB 3.17Å; N164-V166 PolarHBondContact O-N 3.41Å; N164-R304 WeakPolarHBondContact CB-O 3.46Å; N164-D306 WeakPolarHBondContact CA-OD2 3.29Å; N164-D306 WeakPolarHBondContact CB-OD1 3.33Å; N164-D306 PolarHBondContact N-OD1 2.92Å; N164-D306 PolarHBondContact N-OD2 3.38Å; N164-D306 PolarHBondContact ND2-OD1 2.57Å
165	R	87.4	Confident	88.8	Confident	32 Å²	32	52 Å²	52	12%	0.121	30%	0.296	C	S	.	.			trans	-51.3	50	-179.6	-50.9	-177	174.8	105.2	-2.8	115.6	T148 S152 K280 R281 Y282 V285 I287	T148-R165 HydrophobicContact CG2-CB 4.25Å; T148-R165 HydrophobicContact CG2-CG 3.77Å; S152-R165 PolarHBondContact OG-NE 2.94Å; S152-R165 PolarHBondContact OG-NH2 2.82Å; R165-K280 PolarHBondContact NH1-O 3.34Å; R165-R281 PolarHBondContact NH1-O 2.91Å; R165-Y282 WeakPolarHBondContact CD-O 3.4Å; R165-Y282 PolarHBondContact NE-O 3.2Å; R165-Y282 PolarHBondContact NH1-O 2.81Å; R165-Y282 VanDerWaalsContact NH1-O 3.15Å; R165-V285 WeakPolarHBondContact CB-O 3.46Å; R165-V285 VanDerWaalsContact CD-O 3.23Å; R165-V285 WeakPolarHBondContact CD-O 3.46Å; R165-I287 PolarHBondContact O-N 3.44Å
166	V	91.8	Very high	89.1	Confident	8 Å²	8	46 Å²	46	5%	0.048	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	119.5	-162.4	-178.7	0	0	0	0	106.7	N164 I287 R304 A305 D306	N164-V166 HydrophobicContact CB-CG2 4.34Å; N164-V166 WeakPolarHBondContact O-CA 3.33Å; N164-V166 WeakPolarHBondContact O-CB 3.17Å; N164-V166 PolarHBondContact O-N 3.41Å; V166-I287 CarbonylContact C-O 3.55Å; V166-I287 VanDerWaalsContact CA-O 3.28Å; V166-I287 WeakPolarHBondContact CA-O 3.21Å; V166-I287 HydrophobicContact CB-CB 4.47Å; V166-I287 HydrophobicContact CG1-CG2 4.28Å; V166-I287 HydrophobicContact CG2-CB 4.08Å; V166-I287 HydrophobicContact CG2-CD1 4.05Å; V166-I287 HydrophobicContact CG2-CG2 4.44Å; V166-R304 VanDerWaalsContact CB-O 3.32Å; V166-R304 WeakPolarHBondContact CB-O 3.32Å; V166-A305 HydrophobicContact CG1-CB 4.07Å; V166-D306 PolarHBondContact O-N 2.68Å; V166-D306 VanDerWaalsContact O-N 3.16Å
167	V	93.8	Very high	89.4	Confident	3 Å²	3	44.1 Å²	44.1	2%	0.018	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	128.7	175.8	180	0	0	0	0	108.2	L141 V145 L169 I287 L288 T289 I307	L141-V167 HydrophobicContact CD2-CG1 3.88Å; V145-V167 HydrophobicContact CG2-CG2 4.08Å; V167-L169 HydrophobicContact CG1-CD2 3.88Å; V167-L169 HydrophobicContact CG1-CG 4.4Å; V167-I287 PolarHBondContact N-O 3.37Å; V167-L288 HydrophobicContact CB-CD2 3.84Å; V167-L288 HydrophobicContact CG1-CD2 4.5Å; V167-L288 HydrophobicContact CG2-CD2 4.09Å; V167-L288 CarbonylContact O-C 3.57Å; V167-T289 PolarHBondContact O-N 2.95Å; V167-T289 PolarHBondContact O-OG1 3.22Å; V167-I307 HydrophobicContact CG1-CB 4.3Å; V167-I307 HydrophobicContact CG1-CG2 4.05Å
168	L	93.6	Very high	89.8	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	115.3	174.1	174.8	62.9	0	0	0	110.2	V246 T289 I297 V302 A305 I307 K308 Q309	L168-V246 HydrophobicContact CD1-CG2 4.4Å; L168-T289 VanDerWaalsContact CA-OG1 3.29Å; L168-T289 WeakPolarHBondContact CA-OG1 3.44Å; L168-T289 WeakPolarHBondContact CB-OG1 3.43Å; L168-T289 VanDerWaalsContact CD1-OG1 3.31Å; L168-T289 WeakPolarHBondContact CD1-OG1 3.39Å; L168-I297 HydrophobicContact CD2-CD1 4.15Å; L168-I297 HydrophobicContact CD2-CG2 4.13Å; L168-V302 HydrophobicContact CD2-CG2 4.19Å; L168-A305 HydrophobicContact CB-CB 3.65Å; L168-I307 PolarHBondContact N-O 3.37Å; L168-K308 HydrophobicContact CD2-CG 4.49Å; L168-K308 WeakPolarHBondContact O-CA 3.45Å; L168-Q309 PolarHBondContact O-N 3.24Å
169	L	94.8	Very high	90.3	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	124.1	170.9	-53.8	-172.2	0	0	0	109.2	L141 V167 K177 L180 C181 T289 T290 S291 Q309 I311	L141-L169 HydrophobicContact CD1-CD2 4.03Å; L141-L169 HydrophobicContact CD2-CD2 4.15Å; V167-L169 HydrophobicContact CG1-CD2 3.88Å; V167-L169 HydrophobicContact CG1-CG 4.4Å; L169-K177 HydrophobicContact CB-CB 4.27Å; L169-K177 HydrophobicContact CB-CG 4.41Å; L169-L180 HydrophobicContact CD1-CB 4.16Å; L169-L180 HydrophobicContact CD1-CD2 3.97Å; L169-L180 HydrophobicContact CD1-CG 4.06Å; L169-C181 VanDerWaalsContact CD1-SG 3.53Å; L169-T289 PolarHBondContact N-O 2.98Å; L169-T290 CarbonylContact O-C 3.55Å; L169-T290 WeakPolarHBondContact O-CA 3.46Å; L169-S291 PolarHBondContact O-N 2.68Å; L169-Q309 WeakPolarHBondContact CA-O 3.28Å; L169-Q309 HydrophobicContact CD2-CB 3.8Å; L169-Q309 HydrophobicContact CD2-CG 4.39Å; L169-I311 HydrophobicContact CB-CG1 4.46Å
170	H	93.2	Very high	90.9	Very high	31 Å²	31	34.5 Å²	34.5	14%	0.144	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	149.6	-179.9	70.6	102.7	0	0	0	112.4	S291 I297 Q309 Y310 I311	H170-S291 VanDerWaalsContact CA-O 3.29Å; H170-S291 WeakPolarHBondContact CA-O 3.45Å; H170-I297 HydrophobicContact CB-CD1 3.5Å; H170-I297 VanDerWaalsContact CB-CD1 3.5Å; H170-Q309 PolarHBondContact CD2-O 2.79Å; H170-Q309 PolarHBondContact N-O 2.92Å; H170-Y310 AromaticContact CE1-CD2 3.81Å; H170-Y310 AromaticContact ND1-CD2 3.91Å; H170-Y310 CarbonylContact O-C 3.5Å; H170-Y310 VanDerWaalsContact O-CA 3.28Å; H170-Y310 WeakPolarHBondContact O-CA 3.4Å; H170-Y310 WeakPolarHBondContact O-CD2 3.31Å; H170-I311 PolarHBondContact O-N 3.48Å
171	G	92.8	Very high	91.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.169	C	C	.	.			trans	157.3	175	-177	0	0	0	0	0	112.8	K177 S291 N292	G171-K177 PolarHBondContact O-NZ 3.49Å; G171-S291 PolarHBondContact N-O 3.16Å; G171-N292 CarbonylContact O-C 3.59Å; G171-N292 WeakPolarHBondContact O-CA 3.32Å
172	P	91.5	Very high	91.8	Very high	44 Å²	44	24.9 Å²	24.9	29%	0.286	15%	0.153	S	C	.	.	S	Bend	trans	-53.7	154	-179.2	-25.1	34.4	0	0	0	113.5	T175 K177	P172-T175 HydrophobicContact CB-CG2 4.2Å; P172-T175 WeakPolarHBondContact O-CG2 3.41Å; P172-T175 PolarHBondContact O-OG1 3.5Å; P172-K177 PolarHBondContact O-NZ 3.22Å
173	P	90.7	Very high	92.5	Very high	84 Å²	84	20.6 Å²	20.6	55%	0.545	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	149.2	175.6	27	-34.3	0	0	0	111.6	T175 N292	P173-T175 VanDerWaalsContact C-N 3.35Å; P173-T175 PolarHBondContact O-N 2.91Å; P173-N292 WeakPolarHBondContact CA-OD1 3.07Å; P173-N292 HydrophobicContact CB-CB 4.46Å
174	G	89.3	Confident	93	Very high	13 Å²	13	19.5 Å²	19.5	13%	0.134	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	11.4	177.4	0	0	0	0	0	115.9	G176 G377 R378	G174-G176 VanDerWaalsContact C-N 3.33Å; G174-G377 PolarHBondContact O-N 2.92Å; G174-G377 VanDerWaalsContact O-N 3.13Å; G174-R378 PolarHBondContact O-N 3.46Å
175	T	91.6	Very high	93.9	Very high	9 Å²	9	17.6 Å²	17.6	6%	0.055	11%	0.109	C	C	.	.	S	Bend	trans	-88.1	5.7	174.2	61.4	0	0	0	0	114.3	Y133 P172 P173 I311 G312	Y133-T175 WeakPolarHBondContact CE1-O 3.46Å; Y133-T175 PolarHBondContact OH-O 3.24Å; P172-T175 HydrophobicContact CB-CG2 4.2Å; P172-T175 WeakPolarHBondContact O-CG2 3.41Å; P172-T175 PolarHBondContact O-OG1 3.5Å; P173-T175 VanDerWaalsContact C-N 3.35Å; P173-T175 PolarHBondContact O-N 2.91Å; T175-I311 PolarHBondContact OG1-O 3.44Å; T175-G312 WeakPolarHBondContact CG2-O 3.5Å
176	G	93.8	Very high	94.3	Very high	19 Å²	19	16.4 Å²	16.4	20%	0.196	11%	0.105	C	C	.	.	S	Bend	trans	82.7	19.2	173.6	0	0	0	0	0	115.6	Y133 G174 T178 S179 L180	Y133-G176 PolarHBondContact OH-O 2.85Å; G174-G176 VanDerWaalsContact C-N 3.33Å; G176-T178 PolarHBondContact O-N 2.96Å; G176-S179 CarbonylContact O-C 3.5Å; G176-S179 WeakPolarHBondContact O-CB 3.43Å; G176-S179 PolarHBondContact O-N 2.94Å; G176-L180 WeakPolarHBondContact O-CB 3.4Å; G176-L180 PolarHBondContact O-N 3.29Å
177	K	95.3	Very high	94.4	Very high	6 Å²	6	16.2 Å²	16.2	3%	0.026	10%	0.103	C	C	.	.	H	α-helix	trans	-53.4	-52.8	179.9	-59.3	179.6	-65.6	-82.6	0	113.3	L169 G171 P172 S179 L180 C181 T290 S291 N292 I311	L169-K177 HydrophobicContact CB-CB 4.27Å; L169-K177 HydrophobicContact CB-CG 4.41Å; G171-K177 PolarHBondContact O-NZ 3.49Å; P172-K177 PolarHBondContact O-NZ 3.22Å; K177-S179 VanDerWaalsContact C-N 3.33Å; K177-S179 PolarHBondContact O-N 3.43Å; K177-L180 WeakPolarHBondContact O-CB 3.41Å; K177-L180 PolarHBondContact O-N 3.43Å; K177-L180 VanDerWaalsContact O-N 3.15Å; K177-C181 PolarHBondContact O-N 3.17Å; K177-C181 PolarHBondContact O-SG 3.12Å; K177-T290 HydrophobicContact CB-CG2 3.97Å; K177-S291 WeakPolarHBondContact CD-O 3.43Å; K177-S291 WeakPolarHBondContact CE-O 3.46Å; K177-N292 WeakPolarHBondContact CE-OD1 3.47Å; K177-N292 PolarHBondContact NZ-OD1 3Å; K177-I311 HydrophobicContact CG-CB 4.14Å; K177-I311 HydrophobicContact CG-CG1 4.39Å; K177-I311 HydrophobicContact CG-CG2 4.46Å
178	T	95.1	Very high	94.4	Very high	36 Å²	36	16.1 Å²	16.1	22%	0.221	10%	0.102	C	C	.	.	H	α-helix	trans	-60.4	-42.9	177.5	-40.2	0	0	0	0	111.4	G176 L180 C181 K182 E203 L242 D244	G176-T178 PolarHBondContact O-N 2.96Å; T178-L180 VanDerWaalsContact C-N 3.33Å; T178-L180 PolarHBondContact O-N 3.08Å; T178-C181 WeakPolarHBondContact O-CB 3.37Å; T178-C181 PolarHBondContact O-N 3.31Å; T178-K182 PolarHBondContact O-N 3.38Å; T178-K182 VanDerWaalsContact O-N 3.11Å; T178-E203 WeakPolarHBondContact CG2-OE1 3.45Å; T178-L242 HydrophobicContact CG2-CD2 3.92Å; T178-D244 WeakPolarHBondContact CG2-OD2 3.4Å; T178-D244 PolarHBondContact OG1-OD1 2.89Å; T178-D244 PolarHBondContact OG1-OD2 2.77Å
179	S	96.3	Very high	94.5	Very high	45 Å²	45	16.6 Å²	16.6	32%	0.315	11%	0.106	S	C	.	.	H	α-helix	trans	-63.1	-37.9	175.1	-55.6	0	0	0	0	112.3	L127 G176 K177 K182 A183	L127-S179 VanDerWaalsContact CD2-O 3.3Å; L127-S179 WeakPolarHBondContact CD2-O 3.33Å; G176-S179 CarbonylContact O-C 3.5Å; G176-S179 WeakPolarHBondContact O-CB 3.43Å; G176-S179 PolarHBondContact O-N 2.94Å; K177-S179 VanDerWaalsContact C-N 3.33Å; K177-S179 PolarHBondContact O-N 3.43Å; S179-K182 PolarHBondContact O-N 2.94Å; S179-A183 VanDerWaalsContact O-CB 3.27Å; S179-A183 WeakPolarHBondContact O-CB 3.31Å; S179-A183 PolarHBondContact O-N 2.88Å
180	L	96.5	Very high	94.4	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-67	-38.3	176.6	179.8	54.9	0	0	0	111.4	W128 L131 Y133 K138 L141 L169 G176 K177 T178 A183 L184 I311	W128-L180 HydrophobicContact CZ3-CD1 4.28Å; L131-L180 HydrophobicContact CD1-CB 4.01Å; L131-L180 HydrophobicContact CD1-CD1 4.34Å; Y133-L180 HydrophobicContact CD2-CD2 4.31Å; Y133-L180 HydrophobicContact CE2-CB 4.23Å; Y133-L180 HydrophobicContact CE2-CD1 3.91Å; Y133-L180 HydrophobicContact CE2-CD2 3.71Å; Y133-L180 HydrophobicContact CE2-CG 4.16Å; K138-L180 HydrophobicContact CG-CD1 4.37Å; L141-L180 HydrophobicContact CD1-CD1 4.5Å; L141-L180 HydrophobicContact CD1-CD2 3.75Å; L141-L180 HydrophobicContact CD1-CG 4.2Å; L169-L180 HydrophobicContact CD1-CB 4.16Å; L169-L180 HydrophobicContact CD1-CD2 3.97Å; L169-L180 HydrophobicContact CD1-CG 4.06Å; G176-L180 WeakPolarHBondContact O-CB 3.4Å; G176-L180 PolarHBondContact O-N 3.29Å; K177-L180 WeakPolarHBondContact O-CB 3.41Å; K177-L180 PolarHBondContact O-N 3.43Å; K177-L180 VanDerWaalsContact O-N 3.15Å; T178-L180 VanDerWaalsContact C-N 3.33Å; T178-L180 PolarHBondContact O-N 3.08Å; L180-A183 PolarHBondContact O-N 2.85Å; L180-L184 WeakPolarHBondContact O-CB 3.42Å; L180-L184 PolarHBondContact O-N 2.86Å; L180-I311 HydrophobicContact CD2-CD1 3.87Å; L180-I311 HydrophobicContact CD2-CG1 4.46Å
181	C	97.1	Very high	94.3	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.007	10%	0.104	C	C	.	.	H	α-helix	trans	-59.7	-48	171.9	-69.3	0	0	0	0	111.9	L169 K177 T178 L184 A185 L242 L288	L169-C181 VanDerWaalsContact CD1-SG 3.53Å; K177-C181 PolarHBondContact O-N 3.17Å; K177-C181 PolarHBondContact O-SG 3.12Å; T178-C181 WeakPolarHBondContact O-CB 3.37Å; T178-C181 PolarHBondContact O-N 3.31Å; C181-L184 PolarHBondContact O-N 2.9Å; C181-A185 WeakPolarHBondContact O-CB 3.44Å; C181-A185 PolarHBondContact O-N 2.83Å; C181-L242 HydrophobicContact CB-CD1 3.94Å; C181-L242 HydrophobicContact CB-CD2 4.22Å; C181-L288 HydrophobicContact CB-CB 4.26Å; C181-L288 HydrophobicContact CB-CD1 3.73Å
182	K	97.4	Very high	94.2	Very high	34 Å²	34	17.4 Å²	17.4	15%	0.148	11%	0.11	C	C	.	.	H	α-helix	trans	-62	-46.2	177.9	-70.1	174.8	177.5	-173.1	0	111.5	F124 L127 T178 S179 A185 Q186 F201 E203	F124-K182 HydrophobicContact CD1-CB 4.13Å; F124-K182 HydrophobicContact CD1-CD 4.31Å; F124-K182 HydrophobicContact CD2-CB 4.11Å; F124-K182 HydrophobicContact CE1-CB 4.16Å; F124-K182 HydrophobicContact CE1-CD 3.65Å; F124-K182 HydrophobicContact CE1-CG 4.02Å; F124-K182 HydrophobicContact CE2-CB 4.09Å; F124-K182 HydrophobicContact CE2-CG 4.11Å; F124-K182 HydrophobicContact CG-CB 4.15Å; F124-K182 HydrophobicContact CZ-CB 4.13Å; F124-K182 HydrophobicContact CZ-CD 3.82Å; F124-K182 HydrophobicContact CZ-CG 3.8Å; L127-K182 HydrophobicContact CD2-CB 3.85Å; T178-K182 PolarHBondContact O-N 3.38Å; T178-K182 VanDerWaalsContact O-N 3.11Å; S179-K182 PolarHBondContact O-N 2.94Å; K182-A185 PolarHBondContact O-N 2.89Å; K182-Q186 WeakPolarHBondContact O-CB 3.44Å; K182-Q186 PolarHBondContact O-N 3.39Å; K182-F201 HydrophobicContact CB-CZ 4.43Å; K182-F201 HydrophobicContact CG-CE1 3.77Å; K182-F201 HydrophobicContact CG-CE2 4.36Å; K182-F201 HydrophobicContact CG-CZ 3.58Å; K182-E203 VanDerWaalsContact CE-OE1 3.26Å; K182-E203 WeakPolarHBondContact CE-OE1 3.47Å; K182-E203 WeakPolarHBondContact CE-OE2 3.36Å; K182-E203 VanDerWaalsContact NZ-CD 3.32Å; K182-E203 IonicContact NZ-OE1 3.46Å; K182-E203 PolarHBondContact NZ-OE1 2.6Å; K182-E203 VanDerWaalsContact NZ-OE1 3.11Å; K182-E203 IonicContact NZ-OE2 3.62Å; K182-E203 PolarHBondContact NZ-OE2 3.06Å
183	A	96.5	Very high	94.2	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-64.2	-40.7	177.6	0	0	0	0	0	112.8	L127 W128 L131 S179 L180 Q186 K187	L127-A183 HydrophobicContact CB-CB 4.18Å; L127-A183 HydrophobicContact CD2-CB 4.16Å; L127-A183 HydrophobicContact CG-CB 4.02Å; W128-A183 HydrophobicContact CB-CB 4.15Å; W128-A183 HydrophobicContact CE3-CB 3.94Å; L131-A183 HydrophobicContact CD1-CB 4.03Å; S179-A183 VanDerWaalsContact O-CB 3.27Å; S179-A183 WeakPolarHBondContact O-CB 3.31Å; S179-A183 PolarHBondContact O-N 2.88Å; L180-A183 PolarHBondContact O-N 2.85Å; A183-Q186 PolarHBondContact O-N 3.04Å; A183-K187 WeakPolarHBondContact O-CB 3.34Å; A183-K187 PolarHBondContact O-N 3.08Å
184	L	96.1	Very high	94	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.01	11%	0.112	C	C	.	.	H	α-helix	trans	-63.5	-45	176.5	178.4	63.2	0	0	0	111	W128 L141 L142 V145 L180 C181 K187 L188 L288	W128-L184 HydrophobicContact CH2-CD1 4.34Å; W128-L184 HydrophobicContact CZ3-CB 4.24Å; W128-L184 HydrophobicContact CZ3-CD1 4.1Å; L141-L184 HydrophobicContact CB-CD1 4.33Å; L141-L184 HydrophobicContact CB-CD2 4.24Å; L142-L184 HydrophobicContact CB-CD1 4.36Å; L142-L184 HydrophobicContact CD1-CD1 4.14Å; V145-L184 HydrophobicContact CG2-CD2 4.25Å; L180-L184 WeakPolarHBondContact O-CB 3.42Å; L180-L184 PolarHBondContact O-N 2.86Å; C181-L184 PolarHBondContact O-N 2.9Å; L184-K187 PolarHBondContact O-N 2.88Å; L184-L188 HydrophobicContact CD1-CD1 3.95Å; L184-L188 HydrophobicContact CD1-CG 4.26Å; L184-L188 HydrophobicContact CG-CD1 3.86Å; L184-L188 WeakPolarHBondContact O-CB 3.5Å; L184-L188 WeakPolarHBondContact O-CD1 3.4Å; L184-L188 VanDerWaalsContact O-CG 3.31Å; L184-L188 WeakPolarHBondContact O-CG 3.44Å; L184-L188 PolarHBondContact O-N 2.91Å; L184-L288 HydrophobicContact CD2-CD2 4.28Å
185	A	96.8	Very high	94.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-62.9	-44.6	177.1	0	0	0	0	0	112	L119 C181 K182 K187 L188 S189 F201 F240	L119-A185 HydrophobicContact CD1-CB 3.77Å; C181-A185 WeakPolarHBondContact O-CB 3.44Å; C181-A185 PolarHBondContact O-N 2.83Å; K182-A185 PolarHBondContact O-N 2.89Å; A185-K187 PolarHBondContact O-N 3.39Å; A185-L188 PolarHBondContact O-N 3.01Å; A185-S189 WeakPolarHBondContact O-CB 3.21Å; A185-S189 PolarHBondContact O-N 2.9Å; A185-S189 PolarHBondContact O-OG 3.25Å; A185-F201 HydrophobicContact CB-CD2 3.46Å; A185-F201 VanDerWaalsContact CB-CD2 3.46Å; A185-F201 HydrophobicContact CB-CE2 3.61Å; A185-F240 HydrophobicContact CB-CB 4.25Å; A185-F240 HydrophobicContact CB-CD1 3.81Å; A185-F240 HydrophobicContact CB-CD2 3.7Å; A185-F240 HydrophobicContact CB-CE1 4.03Å; A185-F240 HydrophobicContact CB-CE2 3.9Å; A185-F240 HydrophobicContact CB-CG 3.64Å; A185-F240 HydrophobicContact CB-CZ 4.07Å
186	Q	96.1	Very high	94.1	Very high	8 Å²	8	22 Å²	22	4%	0.037	12%	0.12	C	C	.	.	H	α-helix	trans	-55.7	-53	172.9	-175.5	75.5	-5.4	0	0	110.8	P120 A121 F124 K182 A183 L188 S189 I190	P120-Q186 VanDerWaalsContact CA-OE1 3.29Å; A121-Q186 PolarHBondContact O-NE2 3.12Å; F124-Q186 HydrophobicContact CB-CB 4.02Å; F124-Q186 HydrophobicContact CB-CG 4.09Å; K182-Q186 WeakPolarHBondContact O-CB 3.44Å; K182-Q186 PolarHBondContact O-N 3.39Å; A183-Q186 PolarHBondContact O-N 3.04Å; Q186-L188 VanDerWaalsContact C-N 3.35Å; Q186-L188 PolarHBondContact O-N 3.33Å; Q186-S189 PolarHBondContact O-N 3.42Å; Q186-S189 PolarHBondContact O-OG 2.87Å; Q186-I190 HydrophobicContact CG-CD1 4.3Å; Q186-I190 WeakPolarHBondContact O-CG1 3.35Å; Q186-I190 PolarHBondContact O-N 3.33Å
187	K	94.6	Very high	94	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.017	14%	0.143	C	C	.	.	H	α-helix	trans	-59.9	-44.2	-178.1	-158.7	68.6	164.8	179.7	0	111.8	E19 D71 W128 E129 L142 A183 L184 A185 I190 R191	E19-K187 WeakPolarHBondContact OE1-CE 3.44Å; E19-K187 IonicContact OE1-NZ 2.87Å; E19-K187 PolarHBondContact OE1-NZ 3.44Å; E19-K187 IonicContact OE2-NZ 3.82Å; E19-K187 PolarHBondContact OE2-NZ 3.06Å; D71-K187 WeakPolarHBondContact OD2-CE 3.45Å; D71-K187 IonicContact OD2-NZ 2.68Å; D71-K187 PolarHBondContact OD2-NZ 3.42Å; D71-K187 VanDerWaalsContact OD2-NZ 3.13Å; W128-K187 HydrophobicContact CD2-CB 4.27Å; W128-K187 HydrophobicContact CD2-CD 4.22Å; W128-K187 HydrophobicContact CD2-CG 4.15Å; W128-K187 HydrophobicContact CE3-CB 4.16Å; W128-K187 HydrophobicContact CE3-CG 4.47Å; W128-K187 HydrophobicContact CG-CD 4.05Å; W128-K187 HydrophobicContact CG-CG 4.49Å; W128-K187 HydrophobicContact CZ2-CG 4.39Å; W128-K187 HydrophobicContact CZ3-CB 4.47Å; E129-K187 IonicContact OE1-NZ 2.75Å; L142-K187 HydrophobicContact CD1-CB 4.37Å; L142-K187 HydrophobicContact CD1-CG 4.14Å; L142-K187 HydrophobicContact CD2-CG 4.41Å; A183-K187 WeakPolarHBondContact O-CB 3.34Å; A183-K187 PolarHBondContact O-N 3.08Å; L184-K187 PolarHBondContact O-N 2.88Å; A185-K187 PolarHBondContact O-N 3.39Å; K187-I190 PolarHBondContact O-N 3.23Å; K187-R191 VanDerWaalsContact O-CG 3.26Å; K187-R191 WeakPolarHBondContact O-CG 3.04Å; K187-R191 PolarHBondContact O-N 2.94Å
188	L	94.3	Very high	93.8	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-65.5	-40.4	177.8	-75.8	164.9	0	0	0	112.7	L142 V145 L184 A185 Q186 I190 R191 L192 L238 F240	L142-L188 HydrophobicContact CD1-CD2 3.69Å; L142-L188 HydrophobicContact CD1-CG 3.88Å; V145-L188 HydrophobicContact CB-CD1 3.75Å; V145-L188 HydrophobicContact CB-CD2 4.24Å; V145-L188 HydrophobicContact CG1-CD1 3.34Å; V145-L188 HydrophobicContact CG1-CD2 4.15Å; V145-L188 HydrophobicContact CG1-CG 4.4Å; V145-L188 HydrophobicContact CG2-CD1 4.36Å; L184-L188 HydrophobicContact CD1-CD1 3.95Å; L184-L188 HydrophobicContact CD1-CG 4.26Å; L184-L188 HydrophobicContact CG-CD1 3.86Å; L184-L188 WeakPolarHBondContact O-CB 3.5Å; L184-L188 WeakPolarHBondContact O-CD1 3.4Å; L184-L188 VanDerWaalsContact O-CG 3.31Å; L184-L188 WeakPolarHBondContact O-CG 3.44Å; L184-L188 PolarHBondContact O-N 2.91Å; A185-L188 PolarHBondContact O-N 3.01Å; Q186-L188 VanDerWaalsContact C-N 3.35Å; Q186-L188 PolarHBondContact O-N 3.33Å; L188-I190 PolarHBondContact O-N 3.26Å; L188-R191 PolarHBondContact O-N 2.67Å; L188-L192 HydrophobicContact CD2-CD1 4.27Å; L188-L192 VanDerWaalsContact O-CB 3.31Å; L188-L192 WeakPolarHBondContact O-CB 3.29Å; L188-L192 WeakPolarHBondContact O-CG 3.29Å; L188-L192 PolarHBondContact O-N 3.45Å; L188-L238 HydrophobicContact CB-CD2 4.49Å; L188-F240 HydrophobicContact CB-CE1 4.47Å; L188-F240 HydrophobicContact CB-CZ 3.75Å; L188-F240 HydrophobicContact CD1-CE1 3.66Å; L188-F240 HydrophobicContact CD1-CZ 3.79Å; L188-F240 HydrophobicContact CG-CZ 4.46Å
189	S	94.7	Very high	93.9	Very high	12 Å²	12	28.2 Å²	28.2	8%	0.084	15%	0.146	C	C	.	.	H	α-helix	trans	-60.1	-36.8	176.9	72.2	0	0	0	0	112	A185 Q186 S193	A185-S189 WeakPolarHBondContact O-CB 3.21Å; A185-S189 PolarHBondContact O-N 2.9Å; A185-S189 PolarHBondContact O-OG 3.25Å; Q186-S189 PolarHBondContact O-N 3.42Å; Q186-S189 PolarHBondContact O-OG 2.87Å; S189-S193 PolarHBondContact O-N 3.5Å
190	I	93.5	Very high	93.9	Very high	5 Å²	5	26.7 Å²	26.7	3%	0.026	13%	0.134	C	C	.	.	H	α-helix	trans	-71.1	-49.6	175.2	-62.5	166	0	0	0	110.4	E19 H91 F93 P120 Q186 K187 L188 L192 S193	E19-I190 HydrophobicContact CB-CG2 4.34Å; E19-I190 HydrophobicContact CG-CG2 3.83Å; H91-I190 HydrophobicContact CB-CG2 3.86Å; F93-I190 HydrophobicContact CB-CG1 4.3Å; F93-I190 HydrophobicContact CD1-CB 4.39Å; F93-I190 HydrophobicContact CD1-CD1 4.09Å; F93-I190 HydrophobicContact CD1-CG1 3.94Å; F93-I190 HydrophobicContact CD1-CG2 3.58Å; F93-I190 HydrophobicContact CD2-CD1 4.12Å; F93-I190 HydrophobicContact CD2-CG1 4.1Å; F93-I190 HydrophobicContact CE1-CD1 3.91Å; F93-I190 HydrophobicContact CE1-CG1 4.28Å; F93-I190 HydrophobicContact CE1-CG2 4Å; F93-I190 HydrophobicContact CE2-CD1 3.93Å; F93-I190 HydrophobicContact CE2-CG1 4.42Å; F93-I190 HydrophobicContact CG-CD1 4.19Å; F93-I190 HydrophobicContact CG-CG1 3.84Å; F93-I190 HydrophobicContact CG-CG2 4.23Å; F93-I190 HydrophobicContact CZ-CD1 3.81Å; F93-I190 HydrophobicContact CZ-CG1 4.5Å; P120-I190 HydrophobicContact CB-CG1 4.26Å; P120-I190 HydrophobicContact CG-CG1 3.92Å; Q186-I190 HydrophobicContact CG-CD1 4.3Å; Q186-I190 WeakPolarHBondContact O-CG1 3.35Å; Q186-I190 PolarHBondContact O-N 3.33Å; K187-I190 PolarHBondContact O-N 3.23Å; L188-I190 PolarHBondContact O-N 3.26Å; I190-L192 VanDerWaalsContact C-N 3.26Å; I190-L192 PolarHBondContact O-N 2.84Å; I190-S193 VanDerWaalsContact O-CB 3.26Å; I190-S193 WeakPolarHBondContact O-CB 3.42Å; I190-S193 PolarHBondContact O-N 3.02Å; I190-S193 PolarHBondContact O-OG 3.11Å
191	R	90.9	Very high	93.9	Very high	20 Å²	20	26.7 Å²	26.7	8%	0.075	13%	0.134	C	C	.	.	H	α-helix	trans	-64	-29.9	-177.3	-69.8	-64.5	173	85.8	5.3	114.2	H17 E19 D71 H91 K187 L188	H17-R191 PolarHBondContact CD2-NH1 3.38Å; E19-R191 IonicContact OE1-CZ 3.81Å; E19-R191 VanDerWaalsContact OE1-CZ 3.31Å; E19-R191 IonicContact OE1-NE 2.8Å; E19-R191 PolarHBondContact OE1-NE 3.48Å; E19-R191 IonicContact OE1-NH2 2.62Å; E19-R191 PolarHBondContact OE1-NH2 2.66Å; D71-R191 IonicContact OD2-CZ 2.87Å; D71-R191 IonicContact OD2-NH2 3.31Å; D71-R191 PolarHBondContact OD2-NH2 3.45Å; H91-R191 PolarHBondContact CE1-O 3.02Å; H91-R191 PolarHBondContact ND1-O 3.3Å; K187-R191 VanDerWaalsContact O-CG 3.26Å; K187-R191 WeakPolarHBondContact O-CG 3.04Å; K187-R191 PolarHBondContact O-N 2.94Å; L188-R191 PolarHBondContact O-N 2.67Å
192	L	90.9	Very high	93.8	Very high	24 Å²	24	26.6 Å²	26.6	13%	0.126	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	16.9	-178.2	-59.7	171.7	0	0	0	112.2	I149 L188 I190 N194 R195 Y196 L238	I149-L192 HydrophobicContact CD1-CD1 3.29Å; I149-L192 HydrophobicContact CG1-CD1 4.46Å; I149-L192 HydrophobicContact CG2-CD1 4.23Å; L188-L192 HydrophobicContact CD2-CD1 4.27Å; L188-L192 VanDerWaalsContact O-CB 3.31Å; L188-L192 WeakPolarHBondContact O-CB 3.29Å; L188-L192 WeakPolarHBondContact O-CG 3.29Å; L188-L192 PolarHBondContact O-N 3.45Å; I190-L192 VanDerWaalsContact C-N 3.26Å; I190-L192 PolarHBondContact O-N 2.84Å; L192-N194 PolarHBondContact O-N 2.78Å; L192-N194 VanDerWaalsContact O-N 3.1Å; L192-R195 WeakPolarHBondContact O-CA 3.46Å; L192-R195 PolarHBondContact O-N 3.13Å; L192-Y196 HydrophobicContact CB-CD2 4Å; L192-Y196 HydrophobicContact CD1-CE2 4.43Å; L192-Y196 PolarHBondContact O-N 3.06Å; L192-L238 HydrophobicContact CD1-CD2 3.88Å
193	S	90.4	Very high	93.6	Very high	38 Å²	38	25.9 Å²	25.9	27%	0.266	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-21.8	174.7	55.7	0	0	0	0	114.1	S189 I190 R195 Y196	S189-S193 PolarHBondContact O-N 3.5Å; I190-S193 VanDerWaalsContact O-CB 3.26Å; I190-S193 WeakPolarHBondContact O-CB 3.42Å; I190-S193 PolarHBondContact O-N 3.02Å; I190-S193 PolarHBondContact O-OG 3.11Å; S193-R195 VanDerWaalsContact C-N 3.31Å; S193-Y196 CarbonylContact C-O 3.56Å; S193-Y196 WeakPolarHBondContact CA-O 3.4Å
194	N	87.8	Confident	93.3	Very high	113 Å²	113	25.9 Å²	25.9	60%	0.604	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-18.1	172.9	-63.3	-37.9	0	0	0	113.1	K34 L192	K34-N194 PolarHBondContact NZ-OD1 3.48Å; L192-N194 PolarHBondContact O-N 2.78Å; L192-N194 VanDerWaalsContact O-N 3.1Å
195	R	89.9	Confident	92.7	Very high	88 Å²	88	28 Å²	28	33%	0.332	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-36	-175.2	172.1	58.3	-175.8	83.8	2.3	112.8	D153 L192 S193	D153-R195 VanDerWaalsContact CG-NE 3.31Å; D153-R195 IonicContact OD1-CZ 3.05Å; D153-R195 IonicContact OD1-NE 2.89Å; D153-R195 PolarHBondContact OD1-NE 2.83Å; D153-R195 IonicContact OD1-NH2 3.33Å; D153-R195 PolarHBondContact OD1-NH2 3.16Å; D153-R195 WeakPolarHBondContact OD2-CD 3.26Å; D153-R195 IonicContact OD2-NE 2.94Å; D153-R195 PolarHBondContact OD2-NE 3.12Å; L192-R195 WeakPolarHBondContact O-CA 3.46Å; L192-R195 PolarHBondContact O-N 3.13Å; S193-R195 VanDerWaalsContact C-N 3.31Å
196	Y	93.1	Very high	91.7	Very high	8 Å²	8	28 Å²	28	3%	0.031	14%	0.142	C	C	.	.			trans	-123	140.3	178.8	-60.8	-73.7	0	0	0	109.4	I149 L192 S193 D236 T237 L238 N284	I149-Y196 HydrophobicContact CG2-CE2 3.96Å; L192-Y196 HydrophobicContact CB-CD2 4Å; L192-Y196 HydrophobicContact CD1-CE2 4.43Å; L192-Y196 PolarHBondContact O-N 3.06Å; S193-Y196 CarbonylContact C-O 3.56Å; S193-Y196 WeakPolarHBondContact CA-O 3.4Å; Y196-D236 CarbonylContact C-O 3.5Å; Y196-D236 VanDerWaalsContact CA-O 3.28Å; Y196-D236 WeakPolarHBondContact CA-O 3.11Å; Y196-D236 WeakPolarHBondContact CB-O 3.47Å; Y196-T237 VanDerWaalsContact CD1-C 3.41Å; Y196-T237 WeakPolarHBondContact CD1-O 3.34Å; Y196-L238 HydrophobicContact CD1-CB 4.21Å; Y196-L238 HydrophobicContact CD2-CB 3.74Å; Y196-L238 HydrophobicContact CD2-CD2 4.23Å; Y196-L238 HydrophobicContact CD2-CG 4.39Å; Y196-L238 HydrophobicContact CE1-CB 4.47Å; Y196-L238 HydrophobicContact CE2-CB 4.03Å; Y196-L238 HydrophobicContact CE2-CD1 3.98Å; Y196-L238 HydrophobicContact CE2-CD2 4.29Å; Y196-L238 HydrophobicContact CE2-CG 4.33Å; Y196-L238 HydrophobicContact CG-CB 3.83Å; Y196-N284 HydrophobicContact CE1-CB 3.82Å
197	T	90.9	Very high	90.7	Very high	112 Å²	112	32.1 Å²	32.1	69%	0.687	16%	0.161	S	C	*	.	S	Bend	trans	-72.8	-38.8	-178.3	-55.6	0	0	0	0	111.2	D236	T197-D236 PolarHBondContact N-O 2.77Å
198	Y	91.8	Very high	89.5	Confident	79 Å²	79	33.8 Å²	33.8	31%	0.31	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	170.3	177.6	61.5	-78.4	0	0	0	109.7	Q200 D234 T237 L238	Y198-Q200 HydrophobicContact CE2-CG 4.46Å; Y198-D234 PolarHBondContact OH-OD2 3.1Å; Y198-T237 HydrophobicContact CD1-CG2 3.97Å; Y198-T237 HydrophobicContact CD2-CG2 3.94Å; Y198-T237 HydrophobicContact CE1-CG2 3.4Å; Y198-T237 HydrophobicContact CE2-CG2 3.42Å; Y198-T237 VanDerWaalsContact CE2-CG2 3.42Å; Y198-T237 HydrophobicContact CG-CG2 4.2Å; Y198-T237 WeakPolarHBondContact O-CA 3.24Å; Y198-T237 VanDerWaalsContact OH-CG2 3.28Å; Y198-T237 WeakPolarHBondContact OH-CG2 3.49Å; Y198-L238 PolarHBondContact O-N 2.85Å
199	G	95.5	Very high	88.5	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	161.5	175.6	0	0	0	0	0	112.7	L119 L238	L119-G199 PolarHBondContact N-O 3.34Å; L119-G199 PolarHBondContact O-N 2.84Å; G199-L238 CarbonylContact C-O 3.49Å; G199-L238 WeakPolarHBondContact CA-O 3.11Å
200	Q	96.3	Very high	87.1	Confident	12 Å²	12	34.6 Å²	34.6	6%	0.056	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	132	175.3	-62.1	-70.9	12.2	0	0	108.7	H116 Y198 L231 L238 V239 F240	H116-Q200 PolarHBondContact CE1-OE1 2.98Å; H116-Q200 PolarHBondContact NE2-OE1 3.33Å; Y198-Q200 HydrophobicContact CE2-CG 4.46Å; Q200-L231 HydrophobicContact CG-CB 4.47Å; Q200-L238 PolarHBondContact N-O 2.89Å; Q200-V239 HydrophobicContact CB-CB 4.43Å; Q200-V239 HydrophobicContact CB-CG1 4.25Å; Q200-V239 HydrophobicContact CB-CG2 4.13Å; Q200-V239 HydrophobicContact CG-CG2 4.34Å; Q200-F240 PolarHBondContact O-N 2.77Å
201	F	96.9	Very high	85.7	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	117.7	175.3	-167	-89.9	0	0	0	110.1	H116 W117 L119 F124 K182 A185 E203 F240 L242 L288	H116-F201 CarbonylContact C-O 3.5Å; H116-F201 VanDerWaalsContact CA-O 3.31Å; H116-F201 WeakPolarHBondContact CA-O 2.87Å; W117-F201 HydrophobicContact CB-CB 4.3Å; W117-F201 AromaticContact CE3-CD1 3.68Å; W117-F201 HydrophobicContact CE3-CD1 3.68Å; W117-F201 HydrophobicContact CE3-CE1 4.46Å; W117-F201 AromaticContact CZ3-CD1 3.97Å; W117-F201 HydrophobicContact CZ3-CD1 3.97Å; W117-F201 HydrophobicContact CZ3-CE1 4.35Å; W117-F201 PolarHBondContact N-O 2.8Å; W117-F201 PolarHBondContact O-N 3.49Å; L119-F201 HydrophobicContact CD1-CB 4.01Å; L119-F201 HydrophobicContact CD1-CD2 4.39Å; L119-F201 HydrophobicContact CD2-CB 4.18Å; L119-F201 HydrophobicContact CG-CB 4.04Å; F124-F201 HydrophobicContact CE2-CB 4.46Å; F124-F201 HydrophobicContact CE2-CD1 4.19Å; F124-F201 HydrophobicContact CE2-CG 4.18Å; F124-F201 HydrophobicContact CZ-CD1 4.3Å; K182-F201 HydrophobicContact CB-CZ 4.43Å; K182-F201 HydrophobicContact CG-CE1 3.77Å; K182-F201 HydrophobicContact CG-CE2 4.36Å; K182-F201 HydrophobicContact CG-CZ 3.58Å; A185-F201 HydrophobicContact CB-CD2 3.46Å; A185-F201 VanDerWaalsContact CB-CD2 3.46Å; A185-F201 HydrophobicContact CB-CE2 3.61Å; F201-E203 HydrophobicContact CE1-CB 4.09Å; F201-F240 HydrophobicContact CD2-CB 3.6Å; F201-F240 HydrophobicContact CD2-CG 4.27Å; F201-F240 HydrophobicContact CE2-CB 4.12Å; F201-F240 HydrophobicContact CG-CB 4.44Å; F201-L242 HydrophobicContact CE1-CB 4.1Å; F201-L242 HydrophobicContact CE1-CD2 3.95Å; F201-L242 HydrophobicContact CE2-CB 4.46Å; F201-L242 HydrophobicContact CZ-CB 3.74Å; F201-L242 HydrophobicContact CZ-CD2 3.65Å; F201-L242 HydrophobicContact CZ-CG 4.31Å; F201-L288 HydrophobicContact CE2-CD1 4.19Å
202	V	95.3	Very high	84.3	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	117	177.9	-177.8	0	0	0	0	108.7	L103 A114 N115 I204 I228 L231 F240 L242	L103-V202 HydrophobicContact CD1-CG1 3.8Å; L103-V202 HydrophobicContact CD1-CG2 4.25Å; A114-V202 HydrophobicContact CB-CG1 3.98Å; N115-V202 CarbonylContact O-C 3.54Å; N115-V202 WeakPolarHBondContact O-CA 3.5Å; V202-I204 HydrophobicContact CG1-CG1 4.15Å; V202-I228 HydrophobicContact CG1-CD1 4.02Å; V202-I228 HydrophobicContact CG1-CG1 4.17Å; V202-I228 HydrophobicContact CG2-CG1 4.47Å; V202-L231 HydrophobicContact CG2-CD1 3.92Å; V202-F240 PolarHBondContact N-O 3.03Å; V202-L242 PolarHBondContact O-N 2.76Å
203	E	93.9	Very high	82.8	Confident	18 Å²	18	41.8 Å²	41.8	8%	0.084	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	117.6	175.1	-176.1	172.8	-136.4	0	0	110.3	A114 N115 W117 T178 K182 F201 L242	A114-E203 CarbonylContact C-O 3.56Å; A114-E203 VanDerWaalsContact CA-O 3.24Å; A114-E203 WeakPolarHBondContact CA-O 3.31Å; A114-E203 WeakPolarHBondContact CB-O 3.49Å; N115-E203 HydrophobicContact CB-CB 4.39Å; N115-E203 PolarHBondContact N-O 2.96Å; N115-E203 PolarHBondContact O-N 3.21Å; W117-E203 HydrophobicContact CH2-CB 4.05Å; W117-E203 WeakPolarHBondContact CH2-OE2 3.29Å; W117-E203 HydrophobicContact CZ3-CB 3.55Å; T178-E203 WeakPolarHBondContact CG2-OE1 3.45Å; K182-E203 VanDerWaalsContact CE-OE1 3.26Å; K182-E203 WeakPolarHBondContact CE-OE1 3.47Å; K182-E203 WeakPolarHBondContact CE-OE2 3.36Å; K182-E203 VanDerWaalsContact NZ-CD 3.32Å; K182-E203 IonicContact NZ-OE1 3.46Å; K182-E203 PolarHBondContact NZ-OE1 2.6Å; K182-E203 VanDerWaalsContact NZ-OE1 3.11Å; K182-E203 IonicContact NZ-OE2 3.62Å; K182-E203 PolarHBondContact NZ-OE2 3.06Å; F201-E203 HydrophobicContact CE1-CB 4.09Å; E203-L242 HydrophobicContact CB-CD2 4.4Å; E203-L242 HydrophobicContact CG-CD2 3.85Å; E203-L242 HydrophobicContact CG-CG 4.33Å
204	I	90.4	Very high	81.1	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	110.5	177	-57	167.6	0	0	0	107.4	A114 V202 S206 L209 M224 F225 I228 V241 L242 I243 D244	A114-I204 HydrophobicContact CB-CG1 4.1Å; V202-I204 HydrophobicContact CG1-CG1 4.15Å; I204-S206 PolarHBondContact O-N 3.2Å; I204-L209 HydrophobicContact CG2-CD1 3.3Å; I204-L209 HydrophobicContact CG2-CD2 4.22Å; I204-L209 HydrophobicContact CG2-CG 3.83Å; I204-M224 HydrophobicContact CD1-CE 3.65Å; I204-M224 HydrophobicContact CD1-SD 4.23Å; I204-M224 HydrophobicContact CG1-CE 4.17Å; I204-M224 HydrophobicContact CG1-SD 4.15Å; I204-M224 HydrophobicContact CG2-CE 4.14Å; I204-M224 HydrophobicContact CG2-SD 4.3Å; I204-F225 HydrophobicContact CD1-CZ 4.2Å; I204-I228 HydrophobicContact CD1-CD1 3.95Å; I204-V241 HydrophobicContact CD1-CG1 3.83Å; I204-L242 PolarHBondContact N-O 3.31Å; I204-I243 HydrophobicContact CB-CG1 4.4Å; I204-I243 HydrophobicContact CD1-CG1 4.32Å; I204-D244 PolarHBondContact O-N 3.5Å
205	N	82.8	Confident	79.6	Confident	46 Å²	46	44.9 Å²	44.9	25%	0.246	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	115.3	174.1	-178.7	-73.3	0	0	0	109.7	H207 S208 L209	N205-H207 PolarHBondContact O-N 2.85Å; N205-H207 WeakPolarHBondContact OD1-CB 3.01Å; N205-H207 PolarHBondContact OD1-N 2.81Å; N205-S208 PolarHBondContact O-N 2.94Å; N205-S208 PolarHBondContact OD1-N 2.73Å; N205-S208 PolarHBondContact OD1-OG 2.55Å; N205-L209 PolarHBondContact O-N 3.16Å; N205-L209 VanDerWaalsContact O-N 3.16Å
206	S	76.4	Confident	78.1	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-64.1	-35.4	-175.6	60.2	0	0	0	0	114	I204 S208 L209 F210 D244 E245 S248	I204-S206 PolarHBondContact O-N 3.2Å; S206-S208 VanDerWaalsContact C-N 3.33Å; S206-S208 PolarHBondContact O-N 3.45Å; S206-L209 WeakPolarHBondContact O-CB 3.32Å; S206-L209 PolarHBondContact O-N 3.46Å; S206-F210 WeakPolarHBondContact O-CD2 3.38Å; S206-F210 PolarHBondContact O-N 2.95Å; S206-D244 VanDerWaalsContact CB-O 3.24Å; S206-D244 WeakPolarHBondContact CB-O 3.07Å; S206-D244 PolarHBondContact N-O 3.42Å; S206-D244 PolarHBondContact OG-O 3.41Å; S206-E245 VanDerWaalsContact OG-C 3.29Å; S206-E245 PolarHBondContact OG-O 3.26Å; S206-S248 WeakPolarHBondContact CB-OG 3.45Å; S206-S248 PolarHBondContact OG-OG 3.35Å
207	H	73.8	Confident	76.8	Confident	94 Å²	94	46.8 Å²	46.8	44%	0.435	25%	0.249	S	C	.	.	H	α-helix	trans	-64.2	-37.4	175.2	-76.2	-88.8	0	0	0	112.6	N205 L209 F210 S211 E245	N205-H207 PolarHBondContact O-N 2.85Å; N205-H207 WeakPolarHBondContact OD1-CB 3.01Å; N205-H207 PolarHBondContact OD1-N 2.81Å; H207-L209 VanDerWaalsContact C-N 3.34Å; H207-F210 PolarHBondContact O-N 2.82Å; H207-S211 PolarHBondContact O-N 2.74Å; H207-S211 VanDerWaalsContact O-N 3.15Å; H207-S211 PolarHBondContact O-OG 3.03Å; H207-E245 IonicContact CD2-OE2 3.78Å; H207-E245 PolarHBondContact CD2-OE2 3.24Å; H207-E245 IonicContact NE2-OE2 2.71Å
208	S	70.1	Confident	75.8	Confident	39 Å²	39	42.6 Å²	42.6	27%	0.273	23%	0.228	S	C	.	.	H	α-helix	trans	-69.4	-33.6	176.7	-60.8	0	0	0	0	111.8	N205 S206 F210 K212 W213	N205-S208 PolarHBondContact O-N 2.94Å; N205-S208 PolarHBondContact OD1-N 2.73Å; N205-S208 PolarHBondContact OD1-OG 2.55Å; S206-S208 VanDerWaalsContact C-N 3.33Å; S206-S208 PolarHBondContact O-N 3.45Å; S208-F210 VanDerWaalsContact C-N 3.34Å; S208-F210 PolarHBondContact O-N 3.4Å; S208-K212 PolarHBondContact O-N 2.86Å; S208-W213 PolarHBondContact O-NE1 2.82Å
209	L	72.6	Confident	75.1	Confident	2 Å²	2	47 Å²	47	1%	0.01	25%	0.249	C	C	.	.	H	α-helix	trans	-64.1	-34.2	174	-73.4	-179.8	0	0	0	113	A113 I204 N205 S206 H207 W213 M224 V272	A113-L209 HydrophobicContact CB-CD2 4.22Å; I204-L209 HydrophobicContact CG2-CD1 3.3Å; I204-L209 HydrophobicContact CG2-CD2 4.22Å; I204-L209 HydrophobicContact CG2-CG 3.83Å; N205-L209 PolarHBondContact O-N 3.16Å; N205-L209 VanDerWaalsContact O-N 3.16Å; S206-L209 WeakPolarHBondContact O-CB 3.32Å; S206-L209 PolarHBondContact O-N 3.46Å; H207-L209 VanDerWaalsContact C-N 3.34Å; L209-W213 VanDerWaalsContact O-CB 3.26Å; L209-W213 WeakPolarHBondContact O-CB 3.35Å; L209-M224 HydrophobicContact CD2-CE 4.48Å; L209-M224 HydrophobicContact CD2-SD 4.29Å; L209-V272 HydrophobicContact CD1-CG2 4.42Å
210	F	66.4	Low	74.3	Confident	28 Å²	28	47.7 Å²	47.7	12%	0.123	25%	0.253	C	S	.	.	H	α-helix	trans	-84	-41.9	179.4	-77.1	-73.7	0	0	0	113.9	S206 H207 S208 L249 A252 A265 V268 V269	S206-F210 WeakPolarHBondContact O-CD2 3.38Å; S206-F210 PolarHBondContact O-N 2.95Å; H207-F210 PolarHBondContact O-N 2.82Å; S208-F210 VanDerWaalsContact C-N 3.34Å; S208-F210 PolarHBondContact O-N 3.4Å; F210-L249 HydrophobicContact CD2-CD2 4.27Å; F210-L249 HydrophobicContact CE2-CB 4.15Å; F210-L249 HydrophobicContact CE2-CD2 3.18Å; F210-L249 HydrophobicContact CE2-CG 3.82Å; F210-L249 HydrophobicContact CZ-CB 4.32Å; F210-L249 HydrophobicContact CZ-CD2 3.46Å; F210-L249 VanDerWaalsContact CZ-CD2 3.46Å; F210-L249 HydrophobicContact CZ-CG 4.29Å; F210-A252 HydrophobicContact CD1-CB 4.28Å; F210-A252 HydrophobicContact CE1-CB 3.65Å; F210-A252 HydrophobicContact CE2-CB 4.35Å; F210-A252 HydrophobicContact CZ-CB 3.67Å; F210-A265 HydrophobicContact CE1-CB 4.29Å; F210-V268 HydrophobicContact CE1-CB 4.26Å; F210-V268 HydrophobicContact CE1-CG1 4.31Å; F210-V269 HydrophobicContact CE1-CG2 4.12Å; F210-V269 HydrophobicContact CZ-CG2 3.6Å
211	S	64.4	Low	73.7	Confident	90 Å²	90	47.3 Å²	47.3	63%	0.629	25%	0.251	S	S	*	.	H	α-helix	trans	-69.9	-41.1	-173.3	54.3	0	0	0	0	113	H207	H207-S211 PolarHBondContact O-N 2.74Å; H207-S211 VanDerWaalsContact O-N 3.15Å; H207-S211 PolarHBondContact O-OG 3.03Å
212	K	60.3	Low	73.1	Confident	103 Å²	103	49.6 Å²	49.6	45%	0.448	27%	0.265	S	S	.	.	H	α-helix	trans	-88	-20.2	-175	-65.9	-178.9	179.4	-174.9	0	114.4	S208	S208-K212 PolarHBondContact O-N 2.86Å
213	W	59.3	Low	72.6	Confident	7 Å²	7	53.1 Å²	53.1	3%	0.027	28%	0.28	C	S	.	.	H	α-helix	trans	-114.5	5.4	-165	-48.8	71.2	0	0	0	113.1	L105 L111 A113 S208 L209 S215 E216 S217 L220	L105-W213 HydrophobicContact CD1-CH2 3.35Å; L105-W213 HydrophobicContact CD1-CZ2 4.22Å; L105-W213 HydrophobicContact CD1-CZ3 3.75Å; L111-W213 HydrophobicContact CB-CH2 3.99Å; L111-W213 HydrophobicContact CB-CZ2 4.26Å; L111-W213 HydrophobicContact CD2-CH2 4.19Å; L111-W213 HydrophobicContact CD2-CZ2 4.11Å; A113-W213 HydrophobicContact CB-CH2 4.05Å; A113-W213 HydrophobicContact CB-CZ2 3.46Å; A113-W213 VanDerWaalsContact CB-CZ2 3.46Å; S208-W213 PolarHBondContact O-NE1 2.82Å; L209-W213 VanDerWaalsContact O-CB 3.26Å; L209-W213 WeakPolarHBondContact O-CB 3.35Å; W213-S215 PolarHBondContact O-N 3.48Å; W213-E216 PolarHBondContact O-N 3.37Å; W213-S217 WeakPolarHBondContact O-CA 3.28Å; W213-S217 WeakPolarHBondContact O-CB 3.15Å; W213-S217 PolarHBondContact O-N 2.99Å; W213-L220 HydrophobicContact CD2-CB 4.41Å; W213-L220 HydrophobicContact CD2-CD1 4.41Å; W213-L220 HydrophobicContact CE3-CB 3.14Å; W213-L220 HydrophobicContact CE3-CD1 3.2Å; W213-L220 HydrophobicContact CE3-CD2 4.33Å; W213-L220 HydrophobicContact CE3-CG 3.62Å; W213-L220 HydrophobicContact CH2-CB 4.49Å; W213-L220 HydrophobicContact CZ3-CB 3.21Å; W213-L220 HydrophobicContact CZ3-CD1 3.38Å; W213-L220 HydrophobicContact CZ3-CD2 3.72Å; W213-L220 HydrophobicContact CZ3-CG 3.52Å
214	F	54.7	Low	72.3	Confident	102 Å²	102	52.4 Å²	52.4	45%	0.447	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-18.2	-172	-163.3	-105.4	0	0	0	115.1	P262	F214-P262 HydrophobicContact CE1-CG 3.8Å; F214-P262 HydrophobicContact CE2-CG 4.04Å; F214-P262 HydrophobicContact CZ-CG 3.21Å
215	S	56	Low	72.3	Confident	113 Å²	113	52.4 Å²	52.4	79%	0.79	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	-18.8	-179.8	55	0	0	0	0	116.3	W213	W213-S215 PolarHBondContact O-N 3.48Å
216	E	59	Low	72.6	Confident	127 Å²	127	55.5 Å²	55.5	59%	0.593	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.5	19.5	-173.3	-67	-164.4	158.3	0	0	114.3	W213 G218 L220	W213-E216 PolarHBondContact O-N 3.37Å; E216-G218 PolarHBondContact O-N 3.4Å; E216-L220 HydrophobicContact CB-CD1 3.61Å
217	S	66.4	Low	73.3	Confident	9 Å²	9	59.2 Å²	59.2	6%	0.063	31%	0.307	C	S	.	.	H	α-helix	trans	-66.1	-35.6	-141	72.6	0	0	0	0	118.3	W213 V221 V268	W213-S217 WeakPolarHBondContact O-CA 3.28Å; W213-S217 WeakPolarHBondContact O-CB 3.15Å; W213-S217 PolarHBondContact O-N 2.99Å; S217-V221 WeakPolarHBondContact O-CG2 3.23Å; S217-V221 PolarHBondContact O-N 3Å; S217-V268 WeakPolarHBondContact OG-CG2 3.27Å
218	G	69.8	Low	74.2	Confident	24 Å²	24	54.8 Å²	54.8	25%	0.247	29%	0.287	C	S	.	.	H	α-helix	trans	-77.5	-36.4	-174.7	0	0	0	0	0	114.7	E216 L220 T222	E216-G218 PolarHBondContact O-N 3.4Å; G218-L220 VanDerWaalsContact C-N 3.31Å; G218-L220 PolarHBondContact O-N 2.89Å; G218-T222 PolarHBondContact O-N 3.23Å; G218-T222 VanDerWaalsContact O-N 3.13Å; G218-T222 PolarHBondContact O-OG1 3.3Å
219	K	77.8	Confident	75.3	Confident	171 Å²	171	54.7 Å²	54.7	74%	0.743	28%	0.282	S	S	*	.	H	α-helix	trans	-66.4	-39.6	-179.5	-72.9	-177.6	-178.6	175.4	0	110.9	T222 K223	K219-T222 WeakPolarHBondContact O-CA 3.26Å; K219-T222 WeakPolarHBondContact O-CB 3.28Å; K219-T222 PolarHBondContact O-N 2.92Å; K219-K223 PolarHBondContact O-N 2.91Å
220	L	78.3	Confident	76.2	Confident	16 Å²	16	59.9 Å²	59.9	8%	0.084	31%	0.309	C	S	.	.	H	α-helix	trans	-74.4	-37.4	-176.3	-67.7	164.3	0	0	0	112.5	W213 E216 G218 T222 K223 M224	W213-L220 HydrophobicContact CD2-CB 4.41Å; W213-L220 HydrophobicContact CD2-CD1 4.41Å; W213-L220 HydrophobicContact CE3-CB 3.14Å; W213-L220 HydrophobicContact CE3-CD1 3.2Å; W213-L220 HydrophobicContact CE3-CD2 4.33Å; W213-L220 HydrophobicContact CE3-CG 3.62Å; W213-L220 HydrophobicContact CH2-CB 4.49Å; W213-L220 HydrophobicContact CZ3-CB 3.21Å; W213-L220 HydrophobicContact CZ3-CD1 3.38Å; W213-L220 HydrophobicContact CZ3-CD2 3.72Å; W213-L220 HydrophobicContact CZ3-CG 3.52Å; E216-L220 HydrophobicContact CB-CD1 3.61Å; G218-L220 VanDerWaalsContact C-N 3.31Å; G218-L220 PolarHBondContact O-N 2.89Å; L220-T222 PolarHBondContact O-N 3.38Å; L220-K223 HydrophobicContact CD2-CD 4.25Å; L220-K223 PolarHBondContact O-N 2.69Å; L220-M224 PolarHBondContact O-N 3.19Å
221	V	82.9	Confident	77.5	Confident	3 Å²	3	60.1 Å²	60.1	2%	0.018	31%	0.312	C	S	.	.	H	α-helix	trans	-55.6	-44.9	165.9	170.5	0	0	0	0	110.1	S217 M224 F225 V268 A271 V272 Q275	S217-V221 WeakPolarHBondContact O-CG2 3.23Å; S217-V221 PolarHBondContact O-N 3Å; V221-M224 WeakPolarHBondContact O-CB 3.47Å; V221-M224 PolarHBondContact O-N 3.39Å; V221-F225 HydrophobicContact CG1-CD2 3.86Å; V221-F225 HydrophobicContact CG1-CE2 3.98Å; V221-F225 WeakPolarHBondContact O-CD2 3.44Å; V221-F225 PolarHBondContact O-N 3.2Å; V221-V268 HydrophobicContact CG2-CG1 4.09Å; V221-A271 HydrophobicContact CB-CB 4.4Å; V221-A271 HydrophobicContact CG1-CB 4.04Å; V221-V272 HydrophobicContact CG1-CG2 3.72Å; V221-V272 HydrophobicContact CG2-CG2 4.12Å; V221-Q275 HydrophobicContact CG1-CG 4.5Å
222	T	84.4	Confident	79	Confident	48 Å²	48	55.9 Å²	55.9	29%	0.294	28%	0.282	S	S	.	.	H	α-helix	trans	-62.7	-45	178.2	-53	0	0	0	0	111.8	G218 K219 L220 M224 F225 Q226	G218-T222 PolarHBondContact O-N 3.23Å; G218-T222 VanDerWaalsContact O-N 3.13Å; G218-T222 PolarHBondContact O-OG1 3.3Å; K219-T222 WeakPolarHBondContact O-CA 3.26Å; K219-T222 WeakPolarHBondContact O-CB 3.28Å; K219-T222 PolarHBondContact O-N 2.92Å; L220-T222 PolarHBondContact O-N 3.38Å; T222-M224 VanDerWaalsContact C-N 3.32Å; T222-M224 PolarHBondContact O-N 3.18Å; T222-F225 PolarHBondContact O-N 2.78Å; T222-Q226 VanDerWaalsContact O-CG 3.29Å; T222-Q226 WeakPolarHBondContact O-CG 3.33Å; T222-Q226 PolarHBondContact O-N 2.88Å
223	K	84.9	Confident	80.6	Confident	75 Å²	75	55.3 Å²	55.3	33%	0.326	28%	0.284	S	S	.	.	H	α-helix	trans	-58.9	-41.6	174.4	-72.4	-171.7	-177.6	-176.7	0	112.1	L105 E106 K219 L220 Q226 Q227	L105-K223 HydrophobicContact CD2-CB 3.97Å; E106-K223 IonicContact OE1-NZ 2.89Å; E106-K223 PolarHBondContact OE1-NZ 3.45Å; K219-K223 PolarHBondContact O-N 2.91Å; L220-K223 HydrophobicContact CD2-CD 4.25Å; L220-K223 PolarHBondContact O-N 2.69Å; K223-Q226 WeakPolarHBondContact O-CB 3.41Å; K223-Q226 PolarHBondContact O-N 2.82Å; K223-Q227 PolarHBondContact O-N 2.95Å; K223-Q227 VanDerWaalsContact O-N 3.08Å
224	M	87.3	Confident	82.3	Confident	2 Å²	2	57.6 Å²	57.6	1%	0.01	30%	0.297	C	S	.	.	H	α-helix	trans	-61.7	-48.3	177.7	-175.6	-171.7	67.1	0	0	111.6	L105 A113 A114 I204 L209 L220 V221 T222 Q226 Q227 I228	L105-M224 HydrophobicContact CD1-CB 4.15Å; L105-M224 VanDerWaalsContact CD2-CA 3.46Å; L105-M224 HydrophobicContact CD2-CB 3.95Å; A113-M224 HydrophobicContact CB-SD 3.86Å; A114-M224 HydrophobicContact CB-SD 4.21Å; I204-M224 HydrophobicContact CD1-CE 3.65Å; I204-M224 HydrophobicContact CD1-SD 4.23Å; I204-M224 HydrophobicContact CG1-CE 4.17Å; I204-M224 HydrophobicContact CG1-SD 4.15Å; I204-M224 HydrophobicContact CG2-CE 4.14Å; I204-M224 HydrophobicContact CG2-SD 4.3Å; L209-M224 HydrophobicContact CD2-CE 4.48Å; L209-M224 HydrophobicContact CD2-SD 4.29Å; L220-M224 PolarHBondContact O-N 3.19Å; V221-M224 WeakPolarHBondContact O-CB 3.47Å; V221-M224 PolarHBondContact O-N 3.39Å; T222-M224 VanDerWaalsContact C-N 3.32Å; T222-M224 PolarHBondContact O-N 3.18Å; M224-Q226 VanDerWaalsContact C-N 3.27Å; M224-Q226 PolarHBondContact O-N 2.82Å; M224-Q227 WeakPolarHBondContact O-CB 3.28Å; M224-Q227 PolarHBondContact O-N 3.38Å; M224-Q227 VanDerWaalsContact O-N 3.12Å; M224-I228 HydrophobicContact CG-CD1 4.47Å; M224-I228 WeakPolarHBondContact O-CG1 3.21Å; M224-I228 PolarHBondContact O-N 3.13Å
225	F	90.8	Very high	84	Confident	2 Å²	2	60.5 Å²	60.5	1%	0.009	31%	0.309	C	S	.	.	H	α-helix	trans	-69.5	-24.1	177.3	-81.9	-86.7	0	0	0	113.1	I204 V221 T222 I228 Q229 V272 Q275 L276 V279	I204-F225 HydrophobicContact CD1-CZ 4.2Å; V221-F225 HydrophobicContact CG1-CD2 3.86Å; V221-F225 HydrophobicContact CG1-CE2 3.98Å; V221-F225 WeakPolarHBondContact O-CD2 3.44Å; V221-F225 PolarHBondContact O-N 3.2Å; T222-F225 PolarHBondContact O-N 2.78Å; F225-I228 HydrophobicContact CD1-CD1 3.96Å; F225-I228 HydrophobicContact CE1-CD1 4.19Å; F225-I228 HydrophobicContact CG-CD1 4.34Å; F225-I228 PolarHBondContact O-N 3.39Å; F225-Q229 WeakPolarHBondContact O-CB 3.43Å; F225-Q229 PolarHBondContact O-N 3.16Å; F225-V272 HydrophobicContact CE2-CG1 4.49Å; F225-V272 HydrophobicContact CZ-CG1 4.46Å; F225-Q275 HydrophobicContact CB-CB 3.86Å; F225-Q275 HydrophobicContact CB-CG 3.83Å; F225-Q275 VanDerWaalsContact CB-OE1 3.31Å; F225-Q275 HydrophobicContact CD1-CB 3.59Å; F225-Q275 HydrophobicContact CD1-CG 4.48Å; F225-Q275 HydrophobicContact CD2-CB 3.45Å; F225-Q275 VanDerWaalsContact CD2-CB 3.45Å; F225-Q275 HydrophobicContact CD2-CG 3.73Å; F225-Q275 HydrophobicContact CE1-CB 3.88Å; F225-Q275 HydrophobicContact CE2-CB 3.77Å; F225-Q275 HydrophobicContact CE2-CG 4.38Å; F225-Q275 HydrophobicContact CG-CB 3.36Å; F225-Q275 HydrophobicContact CG-CG 3.78Å; F225-Q275 HydrophobicContact CZ-CB 3.97Å; F225-L276 HydrophobicContact CE1-CD2 4.02Å; F225-L276 HydrophobicContact CE1-CG 4.42Å; F225-L276 HydrophobicContact CZ-CD2 4.07Å; F225-L276 HydrophobicContact CZ-CG 4.21Å; F225-V279 HydrophobicContact CD1-CG1 4.09Å; F225-V279 HydrophobicContact CE1-CG2 4.33Å
226	Q	89.8	Confident	85.7	Confident	110 Å²	110	59.6 Å²	59.6	51%	0.514	30%	0.295	S	S	.	.	H	α-helix	trans	-64.3	-41.4	167.5	-73.8	168.5	-9.6	0	0	111.7	T222 K223 M224 Q229 L230	T222-Q226 VanDerWaalsContact O-CG 3.29Å; T222-Q226 WeakPolarHBondContact O-CG 3.33Å; T222-Q226 PolarHBondContact O-N 2.88Å; K223-Q226 WeakPolarHBondContact O-CB 3.41Å; K223-Q226 PolarHBondContact O-N 2.82Å; M224-Q226 VanDerWaalsContact C-N 3.27Å; M224-Q226 PolarHBondContact O-N 2.82Å; Q226-Q229 WeakPolarHBondContact O-CB 3.35Å; Q226-Q229 PolarHBondContact O-N 3.07Å; Q226-L230 WeakPolarHBondContact O-CG 3.48Å; Q226-L230 PolarHBondContact O-N 3.5Å
227	Q	89.7	Confident	87.4	Confident	79 Å²	79	53.6 Å²	53.6	37%	0.369	27%	0.267	S	S	.	.	H	α-helix	trans	-63.6	-42.3	173.4	-64.2	-60.7	-31.4	0	0	111.5	L103 L105 K223 M224 Q229 L230 L231	L103-Q227 HydrophobicContact CD2-CB 4.36Å; L105-Q227 HydrophobicContact CD2-CG 4.28Å; K223-Q227 PolarHBondContact O-N 2.95Å; K223-Q227 VanDerWaalsContact O-N 3.08Å; M224-Q227 WeakPolarHBondContact O-CB 3.28Å; M224-Q227 PolarHBondContact O-N 3.38Å; M224-Q227 VanDerWaalsContact O-N 3.12Å; Q227-Q229 VanDerWaalsContact C-N 3.28Å; Q227-Q229 PolarHBondContact O-N 3.49Å; Q227-L230 WeakPolarHBondContact O-CB 3.25Å; Q227-L230 PolarHBondContact O-N 3.19Å; Q227-L231 PolarHBondContact O-N 3.49Å
228	I	92.6	Very high	88.8	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-61.3	-40.2	174.3	-60.2	171.4	0	0	0	110.3	V202 I204 M224 F225 L230 L231 I232 V241	V202-I228 HydrophobicContact CG1-CD1 4.02Å; V202-I228 HydrophobicContact CG1-CG1 4.17Å; V202-I228 HydrophobicContact CG2-CG1 4.47Å; I204-I228 HydrophobicContact CD1-CD1 3.95Å; M224-I228 HydrophobicContact CG-CD1 4.47Å; M224-I228 WeakPolarHBondContact O-CG1 3.21Å; M224-I228 PolarHBondContact O-N 3.13Å; F225-I228 HydrophobicContact CD1-CD1 3.96Å; F225-I228 HydrophobicContact CE1-CD1 4.19Å; F225-I228 HydrophobicContact CG-CD1 4.34Å; F225-I228 PolarHBondContact O-N 3.39Å; I228-L230 VanDerWaalsContact C-N 3.32Å; I228-L230 PolarHBondContact O-N 2.9Å; I228-L231 WeakPolarHBondContact O-CB 3.47Å; I228-L231 PolarHBondContact O-N 3.49Å; I228-L231 VanDerWaalsContact O-N 3.09Å; I228-I232 HydrophobicContact CG2-CD1 3.77Å; I228-I232 HydrophobicContact CG2-CG1 4.29Å; I228-I232 VanDerWaalsContact O-CG1 3.26Å; I228-I232 WeakPolarHBondContact O-CG1 3.45Å; I228-I232 PolarHBondContact O-N 3.32Å; I228-V241 HydrophobicContact CD1-CG1 4.43Å; I228-V241 HydrophobicContact CG2-CG2 3.81Å
229	Q	93.5	Very high	90.1	Very high	37 Å²	37	52.1 Å²	52.1	17%	0.173	25%	0.253	C	S	.	.	H	α-helix	trans	-60.2	-40.2	176.7	-174.3	61.5	61.6	0	0	112.1	F225 Q226 Q227 L231 I232 D233 Y282	F225-Q229 WeakPolarHBondContact O-CB 3.43Å; F225-Q229 PolarHBondContact O-N 3.16Å; Q226-Q229 WeakPolarHBondContact O-CB 3.35Å; Q226-Q229 PolarHBondContact O-N 3.07Å; Q227-Q229 VanDerWaalsContact C-N 3.28Å; Q227-Q229 PolarHBondContact O-N 3.49Å; Q229-L231 VanDerWaalsContact C-N 3.26Å; Q229-L231 PolarHBondContact O-N 3.26Å; Q229-I232 WeakPolarHBondContact O-CB 3.32Å; Q229-I232 PolarHBondContact O-N 2.84Å; Q229-D233 PolarHBondContact NE2-OD1 2.83Å; Q229-D233 PolarHBondContact O-N 2.81Å; Q229-Y282 PolarHBondContact NE2-OH 2.97Å; Q229-Y282 PolarHBondContact OE1-OH 3.12Å
230	L	92.6	Very high	91	Very high	111 Å²	111	44 Å²	44	58%	0.581	22%	0.217	S	C	*	.	H	α-helix	trans	-60.6	-36.4	174.7	-65.7	174	0	0	0	112.2	Q226 Q227 I228	Q226-L230 WeakPolarHBondContact O-CG 3.48Å; Q226-L230 PolarHBondContact O-N 3.5Å; Q227-L230 WeakPolarHBondContact O-CB 3.25Å; Q227-L230 PolarHBondContact O-N 3.19Å; I228-L230 VanDerWaalsContact C-N 3.32Å; I228-L230 PolarHBondContact O-N 2.9Å
231	L	93.2	Very high	91.8	Very high	34 Å²	34	43.2 Å²	43.2	18%	0.178	21%	0.213	C	C	.	.	H	α-helix	trans	-68.7	-37.8	173.6	-56.6	177.8	0	0	0	111.7	Q200 V202 Q227 I228 Q229 D233 T237	Q200-L231 HydrophobicContact CG-CB 4.47Å; V202-L231 HydrophobicContact CG2-CD1 3.92Å; Q227-L231 PolarHBondContact O-N 3.49Å; I228-L231 WeakPolarHBondContact O-CB 3.47Å; I228-L231 PolarHBondContact O-N 3.49Å; I228-L231 VanDerWaalsContact O-N 3.09Å; Q229-L231 VanDerWaalsContact C-N 3.26Å; Q229-L231 PolarHBondContact O-N 3.26Å; L231-D233 VanDerWaalsContact C-N 3.34Å; L231-T237 PolarHBondContact O-OG1 3.1Å
232	I	94.9	Very high	92.5	Very high	1 Å²	1	43 Å²	43	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-68.6	-33.5	-179.2	-67.5	166.9	0	0	0	112.1	I228 Q229 D234 V239 V279 Y282 N284 V285	I228-I232 HydrophobicContact CG2-CD1 3.77Å; I228-I232 HydrophobicContact CG2-CG1 4.29Å; I228-I232 VanDerWaalsContact O-CG1 3.26Å; I228-I232 WeakPolarHBondContact O-CG1 3.45Å; I228-I232 PolarHBondContact O-N 3.32Å; Q229-I232 WeakPolarHBondContact O-CB 3.32Å; Q229-I232 PolarHBondContact O-N 2.84Å; I232-D234 PolarHBondContact O-N 3.36Å; I232-D234 VanDerWaalsContact O-N 3.16Å; I232-V239 HydrophobicContact CG1-CB 4.14Å; I232-V239 HydrophobicContact CG1-CG1 4.07Å; I232-V239 HydrophobicContact CG1-CG2 4.03Å; I232-V279 HydrophobicContact CD1-CB 3.73Å; I232-V279 HydrophobicContact CD1-CG1 3.7Å; I232-Y282 HydrophobicContact CG2-CD1 3.68Å; I232-Y282 HydrophobicContact CG2-CD2 3.79Å; I232-Y282 HydrophobicContact CG2-CE1 4.34Å; I232-Y282 HydrophobicContact CG2-CE2 4.42Å; I232-Y282 HydrophobicContact CG2-CG 3.38Å; I232-N284 PolarHBondContact O-ND2 2.7Å; I232-V285 HydrophobicContact CB-CG2 4.3Å; I232-V285 HydrophobicContact CD1-CG2 3.62Å; I232-V285 HydrophobicContact CG1-CG2 3.57Å; I232-V285 HydrophobicContact CG2-CG2 3.74Å
233	D	94.4	Very high	92.9	Very high	91 Å²	91	40.8 Å²	40.8	49%	0.487	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-21.9	-177.4	-70.3	-17.2	0	0	0	112.7	Q229 L231 K235	Q229-D233 PolarHBondContact NE2-OD1 2.83Å; Q229-D233 PolarHBondContact O-N 2.81Å; L231-D233 VanDerWaalsContact C-N 3.34Å; D233-K235 PolarHBondContact O-N 3.34Å
234	D	94.4	Very high	93.2	Very high	55 Å²	55	37.9 Å²	37.9	29%	0.294	19%	0.187	S	C	.	.			trans	-75.7	98.5	167.6	-171.7	-9.9	0	0	0	111	Y198 I232 D236 T237 N284	Y198-D234 PolarHBondContact OH-OD2 3.1Å; I232-D234 PolarHBondContact O-N 3.36Å; I232-D234 VanDerWaalsContact O-N 3.16Å; D234-D236 PolarHBondContact O-N 3.28Å; D234-D236 PolarHBondContact OD1-N 3.5Å; D234-T237 HydrophobicContact CB-CG2 3.95Å; D234-T237 VanDerWaalsContact CG-CG2 3.46Å; D234-T237 PolarHBondContact O-N 3.32Å; D234-T237 VanDerWaalsContact O-N 3.11Å; D234-T237 PolarHBondContact O-OG1 2.85Å; D234-T237 VanDerWaalsContact OD2-CG2 3.27Å; D234-T237 WeakPolarHBondContact OD2-CG2 3.15Å; D234-N284 PolarHBondContact O-ND2 3.23Å
235	K	90.7	Very high	93.2	Very high	162 Å²	162	40.2 Å²	40.2	70%	0.704	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-15	-177.2	-62.8	-177.1	-178	176.7	0	114.4	D233	D233-K235 PolarHBondContact O-N 3.34Å
236	D	92.5	Very high	93.2	Very high	95 Å²	95	40.1 Å²	40.1	51%	0.508	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	1.8	176.4	-64.5	-33.1	0	0	0	111.5	Y196 T197 D234	Y196-D236 CarbonylContact C-O 3.5Å; Y196-D236 VanDerWaalsContact CA-O 3.28Å; Y196-D236 WeakPolarHBondContact CA-O 3.11Å; Y196-D236 WeakPolarHBondContact CB-O 3.47Å; T197-D236 PolarHBondContact N-O 2.77Å; D234-D236 PolarHBondContact O-N 3.28Å; D234-D236 PolarHBondContact OD1-N 3.5Å
237	T	94.6	Very high	93	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	146.4	177.2	71.1	0	0	0	0	112.8	Y196 Y198 L231 D234 N284	Y196-T237 VanDerWaalsContact CD1-C 3.41Å; Y196-T237 WeakPolarHBondContact CD1-O 3.34Å; Y198-T237 HydrophobicContact CD1-CG2 3.97Å; Y198-T237 HydrophobicContact CD2-CG2 3.94Å; Y198-T237 HydrophobicContact CE1-CG2 3.4Å; Y198-T237 HydrophobicContact CE2-CG2 3.42Å; Y198-T237 VanDerWaalsContact CE2-CG2 3.42Å; Y198-T237 HydrophobicContact CG-CG2 4.2Å; Y198-T237 WeakPolarHBondContact O-CA 3.24Å; Y198-T237 VanDerWaalsContact OH-CG2 3.28Å; Y198-T237 WeakPolarHBondContact OH-CG2 3.49Å; L231-T237 PolarHBondContact O-OG1 3.1Å; D234-T237 HydrophobicContact CB-CG2 3.95Å; D234-T237 VanDerWaalsContact CG-CG2 3.46Å; D234-T237 PolarHBondContact O-N 3.32Å; D234-T237 VanDerWaalsContact O-N 3.11Å; D234-T237 PolarHBondContact O-OG1 2.85Å; D234-T237 VanDerWaalsContact OD2-CG2 3.27Å; D234-T237 WeakPolarHBondContact OD2-CG2 3.15Å; T237-N284 VanDerWaalsContact O-CB 3.27Å; T237-N284 WeakPolarHBondContact O-CB 3.45Å; T237-N284 PolarHBondContact O-ND2 3.46Å
238	L	95.5	Very high	92.5	Very high	2 Å²	2	33 Å²	33	1%	0.01	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	120.1	169.2	-178.5	59.8	0	0	0	109.9	I149 L188 L192 Y196 Y198 G199 Q200 F240 V286	I149-L238 HydrophobicContact CD1-CD1 3.82Å; I149-L238 HydrophobicContact CD1-CD2 3.89Å; I149-L238 HydrophobicContact CG1-CD1 4.49Å; L188-L238 HydrophobicContact CB-CD2 4.49Å; L192-L238 HydrophobicContact CD1-CD2 3.88Å; Y196-L238 HydrophobicContact CD1-CB 4.21Å; Y196-L238 HydrophobicContact CD2-CB 3.74Å; Y196-L238 HydrophobicContact CD2-CD2 4.23Å; Y196-L238 HydrophobicContact CD2-CG 4.39Å; Y196-L238 HydrophobicContact CE1-CB 4.47Å; Y196-L238 HydrophobicContact CE2-CB 4.03Å; Y196-L238 HydrophobicContact CE2-CD1 3.98Å; Y196-L238 HydrophobicContact CE2-CD2 4.29Å; Y196-L238 HydrophobicContact CE2-CG 4.33Å; Y196-L238 HydrophobicContact CG-CB 3.83Å; Y198-L238 PolarHBondContact O-N 2.85Å; G199-L238 CarbonylContact C-O 3.49Å; G199-L238 WeakPolarHBondContact CA-O 3.11Å; Q200-L238 PolarHBondContact N-O 2.89Å; L238-F240 HydrophobicContact CB-CE2 4.43Å; L238-F240 HydrophobicContact CD2-CE1 4.43Å; L238-F240 HydrophobicContact CD2-CE2 3.56Å; L238-F240 HydrophobicContact CD2-CZ 3.39Å; L238-F240 HydrophobicContact CG-CD2 4.36Å; L238-F240 HydrophobicContact CG-CE2 3.62Å; L238-F240 HydrophobicContact CG-CZ 3.78Å; L238-V286 HydrophobicContact CD1-CG2 4.31Å
239	V	96.8	Very high	91.9	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	122.4	-176.3	-174.1	0	0	0	0	111	Q200 I232 V241 N284 V285 V286	Q200-V239 HydrophobicContact CB-CB 4.43Å; Q200-V239 HydrophobicContact CB-CG1 4.25Å; Q200-V239 HydrophobicContact CB-CG2 4.13Å; Q200-V239 HydrophobicContact CG-CG2 4.34Å; I232-V239 HydrophobicContact CG1-CB 4.14Å; I232-V239 HydrophobicContact CG1-CG1 4.07Å; I232-V239 HydrophobicContact CG1-CG2 4.03Å; V239-V241 HydrophobicContact CG1-CG2 4.2Å; V239-N284 PolarHBondContact N-O 3.35Å; V239-V285 HydrophobicContact CB-CG2 4.38Å; V239-V285 WeakPolarHBondContact O-CA 3.41Å; V239-V286 PolarHBondContact O-N 3.15Å
240	F	97.1	Very high	91.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	123.8	171.8	-63.6	-86.4	0	0	0	109.9	L119 A185 L188 Q200 F201 V202 L238 V286 L288	L119-F240 HydrophobicContact CD1-CD2 3.64Å; L119-F240 HydrophobicContact CD1-CE2 3.89Å; A185-F240 HydrophobicContact CB-CB 4.25Å; A185-F240 HydrophobicContact CB-CD1 3.81Å; A185-F240 HydrophobicContact CB-CD2 3.7Å; A185-F240 HydrophobicContact CB-CE1 4.03Å; A185-F240 HydrophobicContact CB-CE2 3.9Å; A185-F240 HydrophobicContact CB-CG 3.64Å; A185-F240 HydrophobicContact CB-CZ 4.07Å; L188-F240 HydrophobicContact CB-CE1 4.47Å; L188-F240 HydrophobicContact CB-CZ 3.75Å; L188-F240 HydrophobicContact CD1-CE1 3.66Å; L188-F240 HydrophobicContact CD1-CZ 3.79Å; L188-F240 HydrophobicContact CG-CZ 4.46Å; Q200-F240 PolarHBondContact O-N 2.77Å; F201-F240 HydrophobicContact CD2-CB 3.6Å; F201-F240 HydrophobicContact CD2-CG 4.27Å; F201-F240 HydrophobicContact CE2-CB 4.12Å; F201-F240 HydrophobicContact CG-CB 4.44Å; V202-F240 PolarHBondContact N-O 3.03Å; L238-F240 HydrophobicContact CB-CE2 4.43Å; L238-F240 HydrophobicContact CD2-CE1 4.43Å; L238-F240 HydrophobicContact CD2-CE2 3.56Å; L238-F240 HydrophobicContact CD2-CZ 3.39Å; L238-F240 HydrophobicContact CG-CD2 4.36Å; L238-F240 HydrophobicContact CG-CE2 3.62Å; L238-F240 HydrophobicContact CG-CZ 3.78Å; F240-V286 WeakPolarHBondContact CA-O 3.43Å; F240-V286 HydrophobicContact CD1-CB 3.77Å; F240-V286 HydrophobicContact CD1-CG1 4.08Å; F240-V286 HydrophobicContact CE1-CB 3.89Å; F240-V286 HydrophobicContact CE1-CG1 4.15Å; F240-V286 HydrophobicContact CE1-CG2 4.16Å; F240-L288 HydrophobicContact CD1-CD1 4.13Å
241	V	96.1	Very high	90.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	106.4	174.1	-176.2	0	0	0	0	108.4	I204 I228 V239 V286 I287 L288	I204-V241 HydrophobicContact CD1-CG1 3.83Å; I228-V241 HydrophobicContact CD1-CG1 4.43Å; I228-V241 HydrophobicContact CG2-CG2 3.81Å; V239-V241 HydrophobicContact CG1-CG2 4.2Å; V241-V286 PolarHBondContact N-O 3.37Å; V241-I287 CarbonylContact O-C 3.33Å; V241-I287 WeakPolarHBondContact O-CA 3.29Å; V241-L288 PolarHBondContact O-N 3.32Å
242	L	95.7	Very high	89.5	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	124.6	175	172.7	62.7	0	0	0	110.3	T178 C181 F201 V202 E203 I204 L288 T290	T178-L242 HydrophobicContact CG2-CD2 3.92Å; C181-L242 HydrophobicContact CB-CD1 3.94Å; C181-L242 HydrophobicContact CB-CD2 4.22Å; F201-L242 HydrophobicContact CE1-CB 4.1Å; F201-L242 HydrophobicContact CE1-CD2 3.95Å; F201-L242 HydrophobicContact CE2-CB 4.46Å; F201-L242 HydrophobicContact CZ-CB 3.74Å; F201-L242 HydrophobicContact CZ-CD2 3.65Å; F201-L242 HydrophobicContact CZ-CG 4.31Å; V202-L242 PolarHBondContact O-N 2.76Å; E203-L242 HydrophobicContact CB-CD2 4.4Å; E203-L242 HydrophobicContact CG-CD2 3.85Å; E203-L242 HydrophobicContact CG-CG 4.33Å; I204-L242 PolarHBondContact N-O 3.31Å; L242-L288 CarbonylContact C-O 3.55Å; L242-L288 VanDerWaalsContact CA-O 3.27Å; L242-L288 WeakPolarHBondContact CA-O 3.34Å; L242-L288 HydrophobicContact CB-CB 4.45Å; L242-L288 HydrophobicContact CD1-CB 3.93Å; L242-T290 HydrophobicContact CD1-CG2 4Å
243	I	92.9	Very high	88.5	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	108.8	163.9	-55.6	173.1	0	0	0	108.6	I204 V246 L249 V272 L276 L288 T289 T290	I204-I243 HydrophobicContact CB-CG1 4.4Å; I204-I243 HydrophobicContact CD1-CG1 4.32Å; I243-V246 HydrophobicContact CB-CG1 4.14Å; I243-V246 HydrophobicContact CG2-CG1 3.7Å; I243-L249 HydrophobicContact CG2-CD1 4.11Å; I243-V272 HydrophobicContact CD1-CG1 4.05Å; I243-L276 HydrophobicContact CD1-CD1 3.34Å; I243-L276 HydrophobicContact CD1-CD2 3.54Å; I243-L276 HydrophobicContact CD1-CG 3.85Å; I243-L288 PolarHBondContact N-O 3.11Å; I243-T289 HydrophobicContact CB-CG2 4.33Å; I243-T289 WeakPolarHBondContact O-CA 3.36Å; I243-T290 PolarHBondContact O-N 3.04Å; I243-T290 VanDerWaalsContact O-N 3.11Å
244	D	91.2	Very high	87.7	Confident	14 Å²	14	31.1 Å²	31.1	8%	0.075	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	142.8	-178.2	-150.7	33.2	0	0	0	110.6	T178 I204 S206 T290	T178-D244 WeakPolarHBondContact CG2-OD2 3.4Å; T178-D244 PolarHBondContact OG1-OD1 2.89Å; T178-D244 PolarHBondContact OG1-OD2 2.77Å; I204-D244 PolarHBondContact O-N 3.5Å; S206-D244 VanDerWaalsContact CB-O 3.24Å; S206-D244 WeakPolarHBondContact CB-O 3.07Å; S206-D244 PolarHBondContact N-O 3.42Å; S206-D244 PolarHBondContact OG-O 3.41Å; D244-T290 WeakPolarHBondContact CA-OG1 3.21Å; D244-T290 WeakPolarHBondContact OD1-CB 3.44Å; D244-T290 WeakPolarHBondContact OD1-CG2 3.45Å; D244-T290 PolarHBondContact OD1-OG1 3.41Å
245	E	89.2	Confident	86.7	Confident	51 Å²	51	29.4 Å²	29.4	24%	0.238	15%	0.15	C	C	.	.			trans	62.1	46.1	173.3	-54.2	-175.8	133.6	0	0	114.4	S206 H207 E247 S248 T290 N292	S206-E245 VanDerWaalsContact OG-C 3.29Å; S206-E245 PolarHBondContact OG-O 3.26Å; H207-E245 IonicContact CD2-OE2 3.78Å; H207-E245 PolarHBondContact CD2-OE2 3.24Å; H207-E245 IonicContact NE2-OE2 2.71Å; E245-E247 VanDerWaalsContact C-OE2 3.27Å; E245-E247 WeakPolarHBondContact CA-OE2 2.8Å; E245-E247 PolarHBondContact O-N 3.46Å; E245-S248 PolarHBondContact O-N 2.74Å; E245-S248 PolarHBondContact O-OG 3.07Å; E245-S248 VanDerWaalsContact O-OG 3.12Å; E245-T290 PolarHBondContact N-O 3.44Å; E245-T290 PolarHBondContact N-OG1 3.27Å; E245-N292 PolarHBondContact OE1-ND2 3.25Å
246	V	89.1	Confident	85.6	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-12	-176.1	-55.6	0	0	0	0	114.6	L168 I243 S248 L249 T250 T289 T290 F301	L168-V246 HydrophobicContact CD1-CG2 4.4Å; I243-V246 HydrophobicContact CB-CG1 4.14Å; I243-V246 HydrophobicContact CG2-CG1 3.7Å; V246-S248 PolarHBondContact O-N 3.36Å; V246-L249 HydrophobicContact CB-CD1 4.24Å; V246-L249 HydrophobicContact CG1-CD1 4.32Å; V246-L249 WeakPolarHBondContact O-CB 3.37Å; V246-L249 PolarHBondContact O-N 3.11Å; V246-T250 PolarHBondContact O-N 3.29Å; V246-T250 PolarHBondContact O-OG1 3.02Å; V246-T250 VanDerWaalsContact O-OG1 3.06Å; V246-T289 HydrophobicContact CG1-CG2 4.3Å; V246-T290 WeakPolarHBondContact CG2-O 3.42Å; V246-T290 PolarHBondContact N-O 3.07Å; V246-F301 HydrophobicContact CB-CD2 4.21Å; V246-F301 HydrophobicContact CB-CE2 4.17Å; V246-F301 HydrophobicContact CB-CG 4.46Å; V246-F301 HydrophobicContact CB-CZ 4.37Å; V246-F301 HydrophobicContact CG1-CD1 4.4Å; V246-F301 HydrophobicContact CG1-CE1 4.2Å; V246-F301 HydrophobicContact CG1-CZ 4.33Å; V246-F301 HydrophobicContact CG2-CD2 4.37Å; V246-F301 HydrophobicContact CG2-CG 4.39Å
247	E	85.6	Confident	84.7	Confident	25 Å²	25	24.9 Å²	24.9	12%	0.117	13%	0.131	C	C	.	.	H	α-helix	trans	-58.6	-29.7	169.2	62.1	-86.7	-157.7	0	0	113.1	E245 L249 T250 A251 S291 N292 V293	E245-E247 VanDerWaalsContact C-OE2 3.27Å; E245-E247 WeakPolarHBondContact CA-OE2 2.8Å; E245-E247 PolarHBondContact O-N 3.46Å; E247-L249 VanDerWaalsContact C-N 3.34Å; E247-T250 WeakPolarHBondContact O-CB 3.3Å; E247-T250 PolarHBondContact O-N 3.11Å; E247-A251 WeakPolarHBondContact O-CB 3.36Å; E247-A251 PolarHBondContact O-N 3.15Å; E247-S291 WeakPolarHBondContact OE2-CA 3.35Å; E247-S291 WeakPolarHBondContact OE2-CB 3.47Å; E247-S291 PolarHBondContact OE2-OG 3.39Å; E247-N292 VanDerWaalsContact CD-N 3.32Å; E247-N292 WeakPolarHBondContact OE1-CB 3.24Å; E247-N292 PolarHBondContact OE1-N 3.29Å; E247-N292 VanDerWaalsContact OE1-N 3.11Å; E247-N292 PolarHBondContact OE1-ND2 2.78Å; E247-N292 PolarHBondContact OE2-N 3.5Å; E247-V293 HydrophobicContact CB-CB 4.21Å; E247-V293 HydrophobicContact CB-CG2 3.54Å; E247-V293 HydrophobicContact CG-CG2 3.81Å
248	S	80.7	Confident	83.8	Confident	13 Å²	13	28.4 Å²	28.4	9%	0.091	16%	0.16	C	C	.	.	H	α-helix	trans	-66.1	-40.1	178.2	72.3	0	0	0	0	110.9	S206 E245 V246 T250 A251 A252	S206-S248 WeakPolarHBondContact CB-OG 3.45Å; S206-S248 PolarHBondContact OG-OG 3.35Å; E245-S248 PolarHBondContact O-N 2.74Å; E245-S248 PolarHBondContact O-OG 3.07Å; E245-S248 VanDerWaalsContact O-OG 3.12Å; V246-S248 PolarHBondContact O-N 3.36Å; S248-T250 VanDerWaalsContact C-N 3.29Å; S248-T250 PolarHBondContact O-N 2.94Å; S248-A251 PolarHBondContact O-N 2.81Å; S248-A252 PolarHBondContact O-N 3.5Å; S248-A252 VanDerWaalsContact O-N 3.08Å
249	L	79.4	Confident	82.7	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-62.3	-40	173.4	-57.8	163.6	0	0	0	110.9	F210 I243 V246 E247 R253 V269 F301	F210-L249 HydrophobicContact CD2-CD2 4.27Å; F210-L249 HydrophobicContact CE2-CB 4.15Å; F210-L249 HydrophobicContact CE2-CD2 3.18Å; F210-L249 HydrophobicContact CE2-CG 3.82Å; F210-L249 HydrophobicContact CZ-CB 4.32Å; F210-L249 HydrophobicContact CZ-CD2 3.46Å; F210-L249 VanDerWaalsContact CZ-CD2 3.46Å; F210-L249 HydrophobicContact CZ-CG 4.29Å; I243-L249 HydrophobicContact CG2-CD1 4.11Å; V246-L249 HydrophobicContact CB-CD1 4.24Å; V246-L249 HydrophobicContact CG1-CD1 4.32Å; V246-L249 WeakPolarHBondContact O-CB 3.37Å; V246-L249 PolarHBondContact O-N 3.11Å; E247-L249 VanDerWaalsContact C-N 3.34Å; L249-R253 PolarHBondContact O-N 2.85Å; L249-V269 HydrophobicContact CB-CG2 4.23Å; L249-V269 HydrophobicContact CD2-CG2 4.34Å; L249-V269 WeakPolarHBondContact O-CG2 3.45Å; L249-F301 HydrophobicContact CB-CE2 4.25Å; L249-F301 HydrophobicContact CD1-CE2 3.85Å; L249-F301 HydrophobicContact CD1-CZ 3.55Å
250	T	77.3	Confident	81.2	Confident	3 Å²	3	36.8 Å²	36.8	2%	0.018	22%	0.224	C	C	.	.	H	α-helix	trans	-66.5	-44.5	178	-48.8	0	0	0	0	111.7	V246 E247 S248 R253 K254 D298	V246-T250 PolarHBondContact O-N 3.29Å; V246-T250 PolarHBondContact O-OG1 3.02Å; V246-T250 VanDerWaalsContact O-OG1 3.06Å; E247-T250 WeakPolarHBondContact O-CB 3.3Å; E247-T250 PolarHBondContact O-N 3.11Å; S248-T250 VanDerWaalsContact C-N 3.29Å; S248-T250 PolarHBondContact O-N 2.94Å; T250-R253 PolarHBondContact O-N 3.11Å; T250-K254 HydrophobicContact CG2-CD 4.35Å; T250-K254 PolarHBondContact O-N 3.06Å; T250-K254 VanDerWaalsContact O-N 3.08Å; T250-D298 HydrophobicContact CG2-CB 3.68Å; T250-D298 WeakPolarHBondContact OG1-CB 3.28Å; T250-D298 PolarHBondContact OG1-N 3.29Å
251	A	77.6	Confident	79.7	Confident	59 Å²	59	40.4 Å²	40.4	49%	0.488	24%	0.241	S	C	.	.	H	α-helix	trans	-63.5	-46.9	-178.5	0	0	0	0	0	111.2	E247 S248 R253 K254 A255	E247-A251 WeakPolarHBondContact O-CB 3.36Å; E247-A251 PolarHBondContact O-N 3.15Å; S248-A251 PolarHBondContact O-N 2.81Å; A251-R253 VanDerWaalsContact C-N 3.31Å; A251-R253 PolarHBondContact O-N 2.88Å; A251-K254 PolarHBondContact O-N 3.32Å; A251-K254 VanDerWaalsContact O-N 3.16Å; A251-A255 WeakPolarHBondContact O-CB 3.47Å; A251-A255 PolarHBondContact O-N 3.48Å
252	A	74.8	Confident	78.2	Confident	7 Å²	7	43.3 Å²	43.3	6%	0.058	26%	0.26	C	S	.	.	H	α-helix	trans	-58.1	-42.6	176.5	0	0	0	0	0	112	F210 S248 K254 A255 C256 E261 A265	F210-A252 HydrophobicContact CD1-CB 4.28Å; F210-A252 HydrophobicContact CE1-CB 3.65Å; F210-A252 HydrophobicContact CE2-CB 4.35Å; F210-A252 HydrophobicContact CZ-CB 3.67Å; S248-A252 PolarHBondContact O-N 3.5Å; S248-A252 VanDerWaalsContact O-N 3.08Å; A252-K254 PolarHBondContact O-N 3.2Å; A252-A255 PolarHBondContact O-N 3.33Å; A252-C256 WeakPolarHBondContact O-CB 3.5Å; A252-C256 PolarHBondContact O-N 3.43Å; A252-C256 VanDerWaalsContact O-N 3.07Å; A252-E261 WeakPolarHBondContact CA-OE2 3.43Å; A252-A265 HydrophobicContact CB-CB 4.21Å
253	R	73.8	Confident	77	Confident	66 Å²	66	46.5 Å²	46.5	25%	0.249	28%	0.283	C	S	.	.	H	α-helix	trans	-62.5	-42.7	176.5	-167.3	-178.6	-176.7	-169.1	-0	112.5	L249 T250 A251 Q257 D298	L249-R253 PolarHBondContact O-N 2.85Å; T250-R253 PolarHBondContact O-N 3.11Å; A251-R253 VanDerWaalsContact C-N 3.31Å; A251-R253 PolarHBondContact O-N 2.88Å; R253-Q257 WeakPolarHBondContact O-CG 3.29Å; R253-Q257 PolarHBondContact O-N 2.81Å; R253-Q257 VanDerWaalsContact O-N 3.13Å; R253-D298 WeakPolarHBondContact CD-OD2 3.49Å; R253-D298 IonicContact CZ-OD2 2.73Å; R253-D298 IonicContact NE-OD2 2.83Å; R253-D298 VanDerWaalsContact NH1-CG 3.3Å; R253-D298 IonicContact NH1-OD1 3.83Å; R253-D298 PolarHBondContact NH1-OD1 3.4Å; R253-D298 IonicContact NH1-OD2 3.32Å; R253-D298 PolarHBondContact NH1-OD2 3.47Å
254	K	76.7	Confident	75.9	Confident	100 Å²	100	49.2 Å²	49.2	44%	0.435	30%	0.297	S	S	.	.	H	α-helix	trans	-69.6	-41.1	178.1	-74	178.2	179.6	171.4	0	112.4	T250 A251 A252 C256 Q257 A258	T250-K254 HydrophobicContact CG2-CD 4.35Å; T250-K254 PolarHBondContact O-N 3.06Å; T250-K254 VanDerWaalsContact O-N 3.08Å; A251-K254 PolarHBondContact O-N 3.32Å; A251-K254 VanDerWaalsContact O-N 3.16Å; A252-K254 PolarHBondContact O-N 3.2Å; K254-C256 VanDerWaalsContact C-N 3.33Å; K254-C256 PolarHBondContact O-N 3.09Å; K254-Q257 PolarHBondContact O-N 3.27Å; K254-A258 WeakPolarHBondContact O-CB 3.31Å; K254-A258 PolarHBondContact O-N 3.35Å
255	A	73.8	Confident	75	Confident	19 Å²	19	48.6 Å²	48.6	16%	0.157	29%	0.294	C	S	.	.	H	α-helix	trans	-61.3	-42.7	177.7	0	0	0	0	0	111.4	A251 A252 A258 G259 T260 E261	A251-A255 WeakPolarHBondContact O-CB 3.47Å; A251-A255 PolarHBondContact O-N 3.48Å; A252-A255 PolarHBondContact O-N 3.33Å; A255-A258 CarbonylContact O-C 3.57Å; A255-A258 PolarHBondContact O-N 2.83Å; A255-G259 PolarHBondContact O-N 2.92Å; A255-T260 PolarHBondContact O-N 2.96Å; A255-T260 PolarHBondContact O-OG1 2.94Å; A255-E261 HydrophobicContact CB-CB 4.01Å; A255-E261 HydrophobicContact CB-CG 3.78Å
256	C	68.3	Low	74.4	Confident	20 Å²	20	48.1 Å²	48.1	14%	0.135	29%	0.292	C	S	.	.	H	α-helix	trans	-69	-37.9	176.2	-173.7	0	0	0	0	112.9	A252 K254 A258 G259 E261 I266	A252-C256 WeakPolarHBondContact O-CB 3.5Å; A252-C256 PolarHBondContact O-N 3.43Å; A252-C256 VanDerWaalsContact O-N 3.07Å; K254-C256 VanDerWaalsContact C-N 3.33Å; K254-C256 PolarHBondContact O-N 3.09Å; C256-A258 PolarHBondContact O-N 3.38Å; C256-G259 PolarHBondContact O-N 3.34Å; C256-E261 HydrophobicContact CB-CB 4.36Å; C256-E261 PolarHBondContact SG-O 3.17Å; C256-E261 VanDerWaalsContact SG-O 3.35Å; C256-I266 HydrophobicContact CB-CD1 3.48Å; C256-I266 VanDerWaalsContact CB-CD1 3.48Å; C256-I266 HydrophobicContact CB-CG1 3.53Å; C256-I266 WeakPolarHBondContact SG-CD1 3.35Å
257	Q	72.1	Confident	73.9	Confident	142 Å²	142	55.5 Å²	55.5	66%	0.664	32%	0.32	S	S	*	.	H	α-helix	trans	-60.7	-31	170.7	-76.4	178.6	-8.3	0	0	112.9	R253 K254 G259	R253-Q257 WeakPolarHBondContact O-CG 3.29Å; R253-Q257 PolarHBondContact O-N 2.81Å; R253-Q257 VanDerWaalsContact O-N 3.13Å; K254-Q257 PolarHBondContact O-N 3.27Å; Q257-G259 VanDerWaalsContact C-N 3.26Å
258	A	76.9	Confident	73.7	Confident	74 Å²	74	54.5 Å²	54.5	61%	0.612	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-0.5	173.9	0	0	0	0	0	113.6	K254 A255 C256 T260	K254-A258 WeakPolarHBondContact O-CB 3.31Å; K254-A258 PolarHBondContact O-N 3.35Å; A255-A258 CarbonylContact O-C 3.57Å; A255-A258 PolarHBondContact O-N 2.83Å; C256-A258 PolarHBondContact O-N 3.38Å; A258-T260 VanDerWaalsContact C-N 3.25Å; A258-T260 PolarHBondContact O-N 3.41Å
259	G	71.3	Confident	73.7	Confident	66 Å²	66	53.9 Å²	53.9	68%	0.68	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	10.3	-179.3	0	0	0	0	0	114.8	A255 C256 Q257	A255-G259 PolarHBondContact O-N 2.92Å; C256-G259 PolarHBondContact O-N 3.34Å; Q257-G259 VanDerWaalsContact C-N 3.26Å
260	T	65.8	Low	73.9	Confident	111 Å²	111	57.2 Å²	57.2	68%	0.681	33%	0.329	S	S	*	.	S	Bend	trans	-91.2	-15.2	-177.4	52.2	0	0	0	0	113.7	A255 A258	A255-T260 PolarHBondContact O-N 2.96Å; A255-T260 PolarHBondContact O-OG1 2.94Å; A258-T260 VanDerWaalsContact C-N 3.25Å; A258-T260 PolarHBondContact O-N 3.41Å
261	E	64.8	Low	74.3	Confident	77 Å²	77	58 Å²	58	36%	0.36	34%	0.336	S	S	.	.	S	Bend	trans	-126.5	149.6	174.4	-82.2	-171.2	-179.3	0	0	112.2	A252 A255 C256	A252-E261 WeakPolarHBondContact CA-OE2 3.43Å; A255-E261 HydrophobicContact CB-CB 4.01Å; A255-E261 HydrophobicContact CB-CG 3.78Å; C256-E261 HydrophobicContact CB-CB 4.36Å; C256-E261 PolarHBondContact SG-O 3.17Å; C256-E261 VanDerWaalsContact SG-O 3.35Å
262	P	65.8	Low	74.8	Confident	60 Å²	60	55.2 Å²	55.2	39%	0.39	31%	0.313	S	S	.	.			trans	-64.7	152.2	179.5	24.9	-31.5	0	0	0	112.7	F214 D264 A265	F214-P262 HydrophobicContact CE1-CG 3.8Å; F214-P262 HydrophobicContact CE2-CG 4.04Å; F214-P262 HydrophobicContact CZ-CG 3.21Å; P262-D264 PolarHBondContact O-N 3.25Å; P262-A265 PolarHBondContact O-N 3.19Å
263	S	69.7	Low	75.3	Confident	68 Å²	68	55.3 Å²	55.3	48%	0.476	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-15.6	-176.9	54.3	0	0	0	0	115.2	A265 I266 R267	S263-A265 VanDerWaalsContact C-N 3.34Å; S263-I266 PolarHBondContact O-N 2.93Å; S263-R267 PolarHBondContact O-N 2.72Å
264	D	71.1	Confident	76.1	Confident	58 Å²	58	55.6 Å²	55.6	31%	0.31	32%	0.322	S	S	.	.	H	α-helix	trans	-70.7	-29.6	-177.5	-63	-43.1	0	0	0	112.6	P262 I266 R267 V268	P262-D264 PolarHBondContact O-N 3.25Å; D264-I266 VanDerWaalsContact C-N 3.33Å; D264-I266 PolarHBondContact O-N 2.77Å; D264-R267 WeakPolarHBondContact O-CB 3.47Å; D264-R267 PolarHBondContact O-N 2.86Å; D264-R267 VanDerWaalsContact O-N 3.15Å; D264-R267 IonicContact OD1-CZ 2.74Å; D264-R267 IonicContact OD1-NE 2.94Å; D264-R267 IonicContact OD1-NH1 3.03Å; D264-R267 PolarHBondContact OD1-NH1 2.98Å; D264-V268 WeakPolarHBondContact O-CG2 3.3Å; D264-V268 PolarHBondContact O-N 2.87Å
265	A	71	Confident	76.8	Confident	1 Å²	1	52 Å²	52	1%	0.008	31%	0.307	C	S	.	.	H	α-helix	trans	-63	-39.4	174.2	0	0	0	0	0	112	F210 A252 P262 S263 R267 V268 V269	F210-A265 HydrophobicContact CE1-CB 4.29Å; A252-A265 HydrophobicContact CB-CB 4.21Å; P262-A265 PolarHBondContact O-N 3.19Å; S263-A265 VanDerWaalsContact C-N 3.34Å; A265-R267 VanDerWaalsContact C-N 3.33Å; A265-R267 PolarHBondContact O-N 3.46Å; A265-V268 WeakPolarHBondContact O-CB 3.31Å; A265-V268 PolarHBondContact O-N 3.25Å; A265-V269 WeakPolarHBondContact O-CG2 3.34Å; A265-V269 PolarHBondContact O-N 3.22Å
266	I	76.9	Confident	77.6	Confident	40 Å²	40	51.4 Å²	51.4	21%	0.205	30%	0.301	C	S	.	.	H	α-helix	trans	-64.6	-37.9	174.4	-68.4	-176.2	0	0	0	111.2	C256 S263 D264 V268 V269 N270	C256-I266 HydrophobicContact CB-CD1 3.48Å; C256-I266 VanDerWaalsContact CB-CD1 3.48Å; C256-I266 HydrophobicContact CB-CG1 3.53Å; C256-I266 WeakPolarHBondContact SG-CD1 3.35Å; S263-I266 PolarHBondContact O-N 2.93Å; D264-I266 VanDerWaalsContact C-N 3.33Å; D264-I266 PolarHBondContact O-N 2.77Å; I266-V268 VanDerWaalsContact C-N 3.31Å; I266-V268 PolarHBondContact O-N 3.31Å; I266-V269 PolarHBondContact O-N 2.85Å; I266-N270 WeakPolarHBondContact CG2-ND2 3.33Å; I266-N270 WeakPolarHBondContact O-CB 3.27Å; I266-N270 PolarHBondContact O-N 3.12Å
267	R	79.1	Confident	78.6	Confident	155 Å²	155	52.1 Å²	52.1	59%	0.585	30%	0.303	S	S	*	.	H	α-helix	trans	-61.9	-39.8	178.3	-67.6	175.9	177.4	167.1	-7.2	111.4	S263 D264 A265 A271	S263-R267 PolarHBondContact O-N 2.72Å; D264-R267 WeakPolarHBondContact O-CB 3.47Å; D264-R267 PolarHBondContact O-N 2.86Å; D264-R267 VanDerWaalsContact O-N 3.15Å; D264-R267 IonicContact OD1-CZ 2.74Å; D264-R267 IonicContact OD1-NE 2.94Å; D264-R267 IonicContact OD1-NH1 3.03Å; D264-R267 PolarHBondContact OD1-NH1 2.98Å; A265-R267 VanDerWaalsContact C-N 3.33Å; A265-R267 PolarHBondContact O-N 3.46Å; R267-A271 WeakPolarHBondContact O-CB 3.49Å; R267-A271 PolarHBondContact O-N 2.8Å
268	V	80	Confident	79.5	Confident	4 Å²	4	49.3 Å²	49.3	2%	0.024	29%	0.29	C	S	.	.	H	α-helix	trans	-60.3	-52.9	173.6	-177.9	0	0	0	0	111.4	F210 S217 V221 D264 A265 I266 N270 A271 V272	F210-V268 HydrophobicContact CE1-CB 4.26Å; F210-V268 HydrophobicContact CE1-CG1 4.31Å; S217-V268 WeakPolarHBondContact OG-CG2 3.27Å; V221-V268 HydrophobicContact CG2-CG1 4.09Å; D264-V268 WeakPolarHBondContact O-CG2 3.3Å; D264-V268 PolarHBondContact O-N 2.87Å; A265-V268 WeakPolarHBondContact O-CB 3.31Å; A265-V268 PolarHBondContact O-N 3.25Å; I266-V268 VanDerWaalsContact C-N 3.31Å; I266-V268 PolarHBondContact O-N 3.31Å; V268-N270 VanDerWaalsContact C-N 3.29Å; V268-N270 PolarHBondContact O-N 3.49Å; V268-A271 WeakPolarHBondContact O-CB 3.44Å; V268-A271 PolarHBondContact O-N 3.04Å; V268-A271 VanDerWaalsContact O-N 3.09Å; V268-V272 HydrophobicContact CG1-CG2 4.37Å; V268-V272 WeakPolarHBondContact O-CG2 3.26Å; V268-V272 PolarHBondContact O-N 3.4Å
269	V	80.8	Confident	80.2	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.006	26%	0.261	C	S	.	.	H	α-helix	trans	-57.1	-47.1	-178	175.7	0	0	0	0	110.3	F210 L249 A265 I266 A271 V272 L273	F210-V269 HydrophobicContact CE1-CG2 4.12Å; F210-V269 HydrophobicContact CZ-CG2 3.6Å; L249-V269 HydrophobicContact CB-CG2 4.23Å; L249-V269 HydrophobicContact CD2-CG2 4.34Å; L249-V269 WeakPolarHBondContact O-CG2 3.45Å; A265-V269 WeakPolarHBondContact O-CG2 3.34Å; A265-V269 PolarHBondContact O-N 3.22Å; I266-V269 PolarHBondContact O-N 2.85Å; V269-A271 VanDerWaalsContact C-N 3.35Å; V269-A271 PolarHBondContact O-N 3.15Å; V269-V272 PolarHBondContact O-N 2.94Å; V269-L273 HydrophobicContact CG1-CD1 3.97Å; V269-L273 HydrophobicContact CG1-CG 4.45Å; V269-L273 WeakPolarHBondContact O-CG 3.22Å; V269-L273 PolarHBondContact O-N 2.87Å
270	N	83.9	Confident	81.1	Confident	70 Å²	70	44.6 Å²	44.6	37%	0.374	24%	0.237	S	C	.	.	H	α-helix	trans	-64.9	-38.1	178.3	-71.6	-18.1	0	0	0	112.2	I266 V268 T274	I266-N270 WeakPolarHBondContact CG2-ND2 3.33Å; I266-N270 WeakPolarHBondContact O-CB 3.27Å; I266-N270 PolarHBondContact O-N 3.12Å; V268-N270 VanDerWaalsContact C-N 3.29Å; V268-N270 PolarHBondContact O-N 3.49Å; N270-T274 VanDerWaalsContact O-CB 3.28Å; N270-T274 WeakPolarHBondContact O-CB 3.43Å; N270-T274 PolarHBondContact O-N 3.14Å; N270-T274 PolarHBondContact O-OG1 3.2Å
271	A	86.8	Confident	82.1	Confident	20 Å²	20	48.2 Å²	48.2	17%	0.165	24%	0.239	C	C	.	.	H	α-helix	trans	-62.4	-47.6	174.9	0	0	0	0	0	111	V221 R267 V268 V269 T274 Q275	V221-A271 HydrophobicContact CB-CB 4.4Å; V221-A271 HydrophobicContact CG1-CB 4.04Å; R267-A271 WeakPolarHBondContact O-CB 3.49Å; R267-A271 PolarHBondContact O-N 2.8Å; V268-A271 WeakPolarHBondContact O-CB 3.44Å; V268-A271 PolarHBondContact O-N 3.04Å; V268-A271 VanDerWaalsContact O-N 3.09Å; V269-A271 VanDerWaalsContact C-N 3.35Å; V269-A271 PolarHBondContact O-N 3.15Å; A271-T274 PolarHBondContact O-N 2.69Å; A271-Q275 WeakPolarHBondContact O-CB 3.45Å; A271-Q275 VanDerWaalsContact O-CG 3.25Å; A271-Q275 WeakPolarHBondContact O-CG 3.49Å; A271-Q275 PolarHBondContact O-N 3.45Å
272	V	86.7	Confident	83.4	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.006	24%	0.237	C	C	.	.	H	α-helix	trans	-59.2	-50.1	176.8	172.9	0	0	0	0	110.8	L209 V221 F225 I243 V268 V269 T274 Q275 L276	L209-V272 HydrophobicContact CD1-CG2 4.42Å; V221-V272 HydrophobicContact CG1-CG2 3.72Å; V221-V272 HydrophobicContact CG2-CG2 4.12Å; F225-V272 HydrophobicContact CE2-CG1 4.49Å; F225-V272 HydrophobicContact CZ-CG1 4.46Å; I243-V272 HydrophobicContact CD1-CG1 4.05Å; V268-V272 HydrophobicContact CG1-CG2 4.37Å; V268-V272 WeakPolarHBondContact O-CG2 3.26Å; V268-V272 PolarHBondContact O-N 3.4Å; V269-V272 PolarHBondContact O-N 2.94Å; V272-T274 VanDerWaalsContact C-N 3.31Å; V272-T274 PolarHBondContact O-N 2.64Å; V272-Q275 PolarHBondContact O-N 2.5Å; V272-L276 HydrophobicContact CG1-CD1 4.04Å; V272-L276 HydrophobicContact CG1-CG 4.41Å; V272-L276 WeakPolarHBondContact O-CG 2.95Å; V272-L276 PolarHBondContact O-N 3.27Å
273	L	87.1	Confident	84.6	Confident	8 Å²	8	48.4 Å²	48.4	4%	0.042	24%	0.236	C	C	.	.	H	α-helix	trans	-60.1	-41.5	178.8	-70.8	172.8	0	0	0	112.2	V269 L276 D277 A300 F301	V269-L273 HydrophobicContact CG1-CD1 3.97Å; V269-L273 HydrophobicContact CG1-CG 4.45Å; V269-L273 WeakPolarHBondContact O-CG 3.22Å; V269-L273 PolarHBondContact O-N 2.87Å; L273-L276 PolarHBondContact O-N 3.06Å; L273-D277 PolarHBondContact O-N 3.32Å; L273-A300 HydrophobicContact CD1-CB 3.77Å; L273-A300 HydrophobicContact CD2-CB 4.23Å; L273-F301 HydrophobicContact CD2-CD1 4.31Å; L273-F301 HydrophobicContact CD2-CD2 4.41Å; L273-F301 HydrophobicContact CD2-CE1 3.83Å; L273-F301 HydrophobicContact CD2-CE2 3.92Å; L273-F301 HydrophobicContact CD2-CZ 3.59Å; L273-F301 HydrophobicContact CG-CZ 4.47Å
274	T	90	Very high	85.7	Confident	73 Å²	73	45.4 Å²	45.4	45%	0.448	22%	0.215	S	C	.	.	H	α-helix	trans	-63.7	-43.7	177.7	-58.4	0	0	0	0	111.1	N270 A271 V272 D277 Q278	N270-T274 VanDerWaalsContact O-CB 3.28Å; N270-T274 WeakPolarHBondContact O-CB 3.43Å; N270-T274 PolarHBondContact O-N 3.14Å; N270-T274 PolarHBondContact O-OG1 3.2Å; A271-T274 PolarHBondContact O-N 2.69Å; V272-T274 VanDerWaalsContact C-N 3.31Å; V272-T274 PolarHBondContact O-N 2.64Å; T274-D277 PolarHBondContact O-N 3.44Å; T274-Q278 WeakPolarHBondContact O-CG 3.35Å; T274-Q278 PolarHBondContact O-N 3.26Å
275	Q	91.1	Very high	86.8	Confident	24 Å²	24	42.7 Å²	42.7	11%	0.112	20%	0.2	C	C	.	.	H	α-helix	trans	-67.2	-39.1	178.3	-69.1	-62.8	-33	0	0	111.6	V221 F225 A271 V272 D277 Q278 V279	V221-Q275 HydrophobicContact CG1-CG 4.5Å; F225-Q275 HydrophobicContact CB-CB 3.86Å; F225-Q275 HydrophobicContact CB-CG 3.83Å; F225-Q275 VanDerWaalsContact CB-OE1 3.31Å; F225-Q275 HydrophobicContact CD1-CB 3.59Å; F225-Q275 HydrophobicContact CD1-CG 4.48Å; F225-Q275 HydrophobicContact CD2-CB 3.45Å; F225-Q275 VanDerWaalsContact CD2-CB 3.45Å; F225-Q275 HydrophobicContact CD2-CG 3.73Å; F225-Q275 HydrophobicContact CE1-CB 3.88Å; F225-Q275 HydrophobicContact CE2-CB 3.77Å; F225-Q275 HydrophobicContact CE2-CG 4.38Å; F225-Q275 HydrophobicContact CG-CB 3.36Å; F225-Q275 HydrophobicContact CG-CG 3.78Å; F225-Q275 HydrophobicContact CZ-CB 3.97Å; A271-Q275 WeakPolarHBondContact O-CB 3.45Å; A271-Q275 VanDerWaalsContact O-CG 3.25Å; A271-Q275 WeakPolarHBondContact O-CG 3.49Å; A271-Q275 PolarHBondContact O-N 3.45Å; V272-Q275 PolarHBondContact O-N 2.5Å; Q275-D277 VanDerWaalsContact C-N 3.32Å; Q275-D277 PolarHBondContact O-N 3.03Å; Q275-Q278 WeakPolarHBondContact O-CB 3.43Å; Q275-Q278 PolarHBondContact O-N 2.94Å; Q275-Q278 VanDerWaalsContact O-N 3.08Å; Q275-V279 PolarHBondContact O-N 3.25Å
276	L	90.3	Very high	87.9	Confident	7 Å²	7	42.9 Å²	42.9	4%	0.037	20%	0.201	C	C	.	.	H	α-helix	trans	-59.8	-42.1	172.4	-70	170.5	0	0	0	112.4	F225 I243 V272 L273 Q278 V279 K280 I287 F301	F225-L276 HydrophobicContact CE1-CD2 4.02Å; F225-L276 HydrophobicContact CE1-CG 4.42Å; F225-L276 HydrophobicContact CZ-CD2 4.07Å; F225-L276 HydrophobicContact CZ-CG 4.21Å; I243-L276 HydrophobicContact CD1-CD1 3.34Å; I243-L276 HydrophobicContact CD1-CD2 3.54Å; I243-L276 HydrophobicContact CD1-CG 3.85Å; V272-L276 HydrophobicContact CG1-CD1 4.04Å; V272-L276 HydrophobicContact CG1-CG 4.41Å; V272-L276 WeakPolarHBondContact O-CG 2.95Å; V272-L276 PolarHBondContact O-N 3.27Å; L273-L276 PolarHBondContact O-N 3.06Å; L276-Q278 PolarHBondContact O-N 3.2Å; L276-V279 PolarHBondContact O-N 3.07Å; L276-K280 VanDerWaalsContact O-CB 3.29Å; L276-K280 WeakPolarHBondContact O-CB 3.44Å; L276-K280 WeakPolarHBondContact O-CG 3.14Å; L276-K280 PolarHBondContact O-N 3.48Å; L276-I287 HydrophobicContact CB-CD1 4.35Å; L276-I287 HydrophobicContact CD2-CD1 3.9Å; L276-I287 HydrophobicContact CD2-CG1 4.34Å; L276-I287 HydrophobicContact CD2-CG2 4.01Å; L276-F301 HydrophobicContact CD1-CE1 3.88Å
277	D	89.6	Confident	88.8	Confident	35 Å²	35	41 Å²	41	19%	0.187	19%	0.192	C	C	.	.	H	α-helix	trans	-66.2	-21.4	176.7	-74.6	-33	0	0	0	113.4	L273 T274 Q275 K280 R281 R304	L273-D277 PolarHBondContact O-N 3.32Å; T274-D277 PolarHBondContact O-N 3.44Å; Q275-D277 VanDerWaalsContact C-N 3.32Å; Q275-D277 PolarHBondContact O-N 3.03Å; D277-K280 VanDerWaalsContact OD1-CE 3.27Å; D277-K280 WeakPolarHBondContact OD1-CE 2.92Å; D277-K280 IonicContact OD1-NZ 2.67Å; D277-K280 PolarHBondContact OD1-NZ 3.32Å; D277-R281 PolarHBondContact O-NE 3.45Å; D277-R304 VanDerWaalsContact CG-NE 3.34Å; D277-R304 IonicContact OD1-CZ 3.02Å; D277-R304 IonicContact OD1-NE 2.89Å; D277-R304 PolarHBondContact OD1-NE 3.41Å; D277-R304 IonicContact OD2-CZ 3.66Å; D277-R304 IonicContact OD2-NE 3.38Å; D277-R304 PolarHBondContact OD2-NE 3.29Å; D277-R304 IonicContact OD2-NH2 2.88Å; D277-R304 PolarHBondContact OD2-NH2 3.31Å
278	Q	91.4	Very high	89.6	Confident	83 Å²	83	33.7 Å²	33.7	39%	0.388	16%	0.164	S	C	.	.	H	α-helix	trans	-81.2	-54.1	172.5	-68.5	174.2	9.9	0	0	111	T274 Q275 L276 K280 R281	T274-Q278 WeakPolarHBondContact O-CG 3.35Å; T274-Q278 PolarHBondContact O-N 3.26Å; Q275-Q278 WeakPolarHBondContact O-CB 3.43Å; Q275-Q278 PolarHBondContact O-N 2.94Å; Q275-Q278 VanDerWaalsContact O-N 3.08Å; L276-Q278 PolarHBondContact O-N 3.2Å; Q278-K280 VanDerWaalsContact C-N 3.3Å; Q278-K280 PolarHBondContact O-N 2.85Å; Q278-R281 WeakPolarHBondContact O-CB 3.32Å; Q278-R281 PolarHBondContact O-N 3.43Å
279	V	92.1	Very high	90.3	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.006	16%	0.163	C	C	.	.	H	α-helix	trans	-68.4	-27.3	-176	-59.4	0	0	0	0	113	F225 I232 Q275 L276 R281 Y282 I287	F225-V279 HydrophobicContact CD1-CG1 4.09Å; F225-V279 HydrophobicContact CE1-CG2 4.33Å; I232-V279 HydrophobicContact CD1-CB 3.73Å; I232-V279 HydrophobicContact CD1-CG1 3.7Å; Q275-V279 PolarHBondContact O-N 3.25Å; L276-V279 PolarHBondContact O-N 3.07Å; V279-R281 PolarHBondContact O-N 3.41Å; V279-R281 VanDerWaalsContact O-N 3.08Å; V279-Y282 WeakPolarHBondContact O-CD2 3.49Å; V279-Y282 PolarHBondContact O-N 3.48Å; V279-I287 HydrophobicContact CG2-CD1 4.13Å
280	K	88.8	Confident	90.9	Very high	40 Å²	40	33.5 Å²	33.5	17%	0.174	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-15.6	177	77.5	-177.3	-174.4	-175.6	0	113.8	R165 L276 D277 Q278 Y282 I287	R165-K280 PolarHBondContact NH1-O 3.34Å; L276-K280 VanDerWaalsContact O-CB 3.29Å; L276-K280 WeakPolarHBondContact O-CB 3.44Å; L276-K280 WeakPolarHBondContact O-CG 3.14Å; L276-K280 PolarHBondContact O-N 3.48Å; D277-K280 VanDerWaalsContact OD1-CE 3.27Å; D277-K280 WeakPolarHBondContact OD1-CE 2.92Å; D277-K280 IonicContact OD1-NZ 2.67Å; D277-K280 PolarHBondContact OD1-NZ 3.32Å; Q278-K280 VanDerWaalsContact C-N 3.3Å; Q278-K280 PolarHBondContact O-N 2.85Å; K280-Y282 VanDerWaalsContact C-N 3.32Å; K280-I287 HydrophobicContact CB-CD1 3.63Å
281	R	88.3	Confident	91.3	Very high	187 Å²	187	30.2 Å²	30.2	71%	0.706	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-23	-179.1	-62.6	177.2	-174.6	-172.7	-4.3	112.5	R165 D277 Q278 V279	R165-R281 PolarHBondContact NH1-O 2.91Å; D277-R281 PolarHBondContact O-NE 3.45Å; Q278-R281 WeakPolarHBondContact O-CB 3.32Å; Q278-R281 PolarHBondContact O-N 3.43Å; V279-R281 PolarHBondContact O-N 3.41Å; V279-R281 VanDerWaalsContact O-N 3.08Å
282	Y	91.4	Very high	91.4	Very high	85 Å²	85	31.2 Å²	31.2	33%	0.333	15%	0.148	S	C	.	.	S	Bend	trans	-75.8	137.5	-179.5	-63.4	-88.8	0	0	0	111.5	R165 Q229 I232 V279 K280 N284 V285	R165-Y282 WeakPolarHBondContact CD-O 3.4Å; R165-Y282 PolarHBondContact NE-O 3.2Å; R165-Y282 PolarHBondContact NH1-O 2.81Å; R165-Y282 VanDerWaalsContact NH1-O 3.15Å; Q229-Y282 PolarHBondContact NE2-OH 2.97Å; Q229-Y282 PolarHBondContact OE1-OH 3.12Å; I232-Y282 HydrophobicContact CG2-CD1 3.68Å; I232-Y282 HydrophobicContact CG2-CD2 3.79Å; I232-Y282 HydrophobicContact CG2-CE1 4.34Å; I232-Y282 HydrophobicContact CG2-CE2 4.42Å; I232-Y282 HydrophobicContact CG2-CG 3.38Å; V279-Y282 WeakPolarHBondContact O-CD2 3.49Å; V279-Y282 PolarHBondContact O-N 3.48Å; K280-Y282 VanDerWaalsContact C-N 3.32Å; Y282-N284 VanDerWaalsContact C-N 3.26Å; Y282-N284 PolarHBondContact O-N 2.66Å; Y282-V285 PolarHBondContact O-N 2.79Å
283	P	90.2	Very high	91.2	Very high	56 Å²	56	33.5 Å²	33.5	36%	0.364	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-21.7	-173.6	28.4	-35.3	0	0	0	113.9
284	N	92.9	Very high	90.3	Very high	5 Å²	5	36.2 Å²	36.2	3%	0.027	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	20.7	180	64.8	-37.6	0	0	0	113.2	Y196 I232 D234 T237 V239 Y282	Y196-N284 HydrophobicContact CE1-CB 3.82Å; I232-N284 PolarHBondContact O-ND2 2.7Å; D234-N284 PolarHBondContact O-ND2 3.23Å; T237-N284 VanDerWaalsContact O-CB 3.27Å; T237-N284 WeakPolarHBondContact O-CB 3.45Å; T237-N284 PolarHBondContact O-ND2 3.46Å; V239-N284 PolarHBondContact N-O 3.35Å; Y282-N284 VanDerWaalsContact C-N 3.26Å; Y282-N284 PolarHBondContact O-N 2.66Å
285	V	94.5	Very high	89.2	Confident	1 Å²	1	41 Å²	41	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	132.9	-179.7	176.7	0	0	0	0	111.3	R165 I232 V239 Y282 I287	R165-V285 WeakPolarHBondContact CB-O 3.46Å; R165-V285 VanDerWaalsContact CD-O 3.23Å; R165-V285 WeakPolarHBondContact CD-O 3.46Å; I232-V285 HydrophobicContact CB-CG2 4.3Å; I232-V285 HydrophobicContact CD1-CG2 3.62Å; I232-V285 HydrophobicContact CG1-CG2 3.57Å; I232-V285 HydrophobicContact CG2-CG2 3.74Å; V239-V285 HydrophobicContact CB-CG2 4.38Å; V239-V285 WeakPolarHBondContact O-CA 3.41Å; Y282-V285 PolarHBondContact O-N 2.79Å; V285-I287 HydrophobicContact CG1-CG1 4.14Å
286	V	94.8	Very high	87.9	Confident	4 Å²	4	46.7 Å²	46.7	2%	0.024	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	122.1	169.5	-179.6	0	0	0	0	108.8	V145 I149 L238 V239 F240 V241 L288	V145-V286 HydrophobicContact CG1-CB 4.48Å; V145-V286 HydrophobicContact CG1-CG1 3.97Å; V145-V286 HydrophobicContact CG1-CG2 3.72Å; V145-V286 HydrophobicContact CG2-CG1 4.45Å; I149-V286 HydrophobicContact CD1-CG2 4.36Å; L238-V286 HydrophobicContact CD1-CG2 4.31Å; V239-V286 PolarHBondContact O-N 3.15Å; F240-V286 WeakPolarHBondContact CA-O 3.43Å; F240-V286 HydrophobicContact CD1-CB 3.77Å; F240-V286 HydrophobicContact CD1-CG1 4.08Å; F240-V286 HydrophobicContact CE1-CB 3.89Å; F240-V286 HydrophobicContact CE1-CG1 4.15Å; F240-V286 HydrophobicContact CE1-CG2 4.16Å; V241-V286 PolarHBondContact N-O 3.37Å; V286-L288 HydrophobicContact CG1-CD2 3.94Å; V286-L288 HydrophobicContact CG1-CG 4.42Å
287	I	95.4	Very high	87	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	127.6	177	-61	168.1	0	0	0	108.4	R165 V166 V167 V241 L276 V279 K280 V285 T289	R165-I287 PolarHBondContact O-N 3.44Å; V166-I287 CarbonylContact C-O 3.55Å; V166-I287 VanDerWaalsContact CA-O 3.28Å; V166-I287 WeakPolarHBondContact CA-O 3.21Å; V166-I287 HydrophobicContact CB-CB 4.47Å; V166-I287 HydrophobicContact CG1-CG2 4.28Å; V166-I287 HydrophobicContact CG2-CB 4.08Å; V166-I287 HydrophobicContact CG2-CD1 4.05Å; V166-I287 HydrophobicContact CG2-CG2 4.44Å; V167-I287 PolarHBondContact N-O 3.37Å; V241-I287 CarbonylContact O-C 3.33Å; V241-I287 WeakPolarHBondContact O-CA 3.29Å; L276-I287 HydrophobicContact CB-CD1 4.35Å; L276-I287 HydrophobicContact CD2-CD1 3.9Å; L276-I287 HydrophobicContact CD2-CG1 4.34Å; L276-I287 HydrophobicContact CD2-CG2 4.01Å; V279-I287 HydrophobicContact CG2-CD1 4.13Å; K280-I287 HydrophobicContact CB-CD1 3.63Å; V285-I287 HydrophobicContact CG1-CG1 4.14Å; I287-T289 HydrophobicContact CG2-CG2 4.07Å
288	L	95.8	Very high	86.2	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	136.2	175.8	-56.5	176.8	0	0	0	108.1	V167 C181 L184 F201 F240 V241 L242 I243 V286	V167-L288 HydrophobicContact CB-CD2 3.84Å; V167-L288 HydrophobicContact CG1-CD2 4.5Å; V167-L288 HydrophobicContact CG2-CD2 4.09Å; V167-L288 CarbonylContact O-C 3.57Å; C181-L288 HydrophobicContact CB-CB 4.26Å; C181-L288 HydrophobicContact CB-CD1 3.73Å; L184-L288 HydrophobicContact CD2-CD2 4.28Å; F201-L288 HydrophobicContact CE2-CD1 4.19Å; F240-L288 HydrophobicContact CD1-CD1 4.13Å; V241-L288 PolarHBondContact O-N 3.32Å; L242-L288 CarbonylContact C-O 3.55Å; L242-L288 VanDerWaalsContact CA-O 3.27Å; L242-L288 WeakPolarHBondContact CA-O 3.34Å; L242-L288 HydrophobicContact CB-CB 4.45Å; L242-L288 HydrophobicContact CD1-CB 3.93Å; I243-L288 PolarHBondContact N-O 3.11Å; V286-L288 HydrophobicContact CG1-CD2 3.94Å; V286-L288 HydrophobicContact CG1-CG 4.42Å
289	T	94.4	Very high	85.3	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.006	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	142.6	179.4	57.4	0	0	0	0	109.8	V167 L168 L169 I243 V246 I287 F301	V167-T289 PolarHBondContact O-N 2.95Å; V167-T289 PolarHBondContact O-OG1 3.22Å; L168-T289 VanDerWaalsContact CA-OG1 3.29Å; L168-T289 WeakPolarHBondContact CA-OG1 3.44Å; L168-T289 WeakPolarHBondContact CB-OG1 3.43Å; L168-T289 VanDerWaalsContact CD1-OG1 3.31Å; L168-T289 WeakPolarHBondContact CD1-OG1 3.39Å; L169-T289 PolarHBondContact N-O 2.98Å; I243-T289 HydrophobicContact CB-CG2 4.33Å; I243-T289 WeakPolarHBondContact O-CA 3.36Å; V246-T289 HydrophobicContact CG1-CG2 4.3Å; I287-T289 HydrophobicContact CG2-CG2 4.07Å; T289-F301 HydrophobicContact CG2-CD1 4.36Å
290	T	93.9	Very high	84.5	Confident	1 Å²	1	49 Å²	49	1%	0.006	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	147.1	175.6	76.5	0	0	0	0	110.8	L169 K177 L242 I243 D244 E245 V246	L169-T290 CarbonylContact O-C 3.55Å; L169-T290 WeakPolarHBondContact O-CA 3.46Å; K177-T290 HydrophobicContact CB-CG2 3.97Å; L242-T290 HydrophobicContact CD1-CG2 4Å; I243-T290 PolarHBondContact O-N 3.04Å; I243-T290 VanDerWaalsContact O-N 3.11Å; D244-T290 WeakPolarHBondContact CA-OG1 3.21Å; D244-T290 WeakPolarHBondContact OD1-CB 3.44Å; D244-T290 WeakPolarHBondContact OD1-CG2 3.45Å; D244-T290 PolarHBondContact OD1-OG1 3.41Å; E245-T290 PolarHBondContact N-O 3.44Å; E245-T290 PolarHBondContact N-OG1 3.27Å; V246-T290 WeakPolarHBondContact CG2-O 3.42Å; V246-T290 PolarHBondContact N-O 3.07Å
291	S	91.7	Very high	83.9	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	137.1	166.7	-170.8	0	0	0	0	113.8	L169 H170 G171 K177 E247 V293	L169-S291 PolarHBondContact O-N 2.68Å; H170-S291 VanDerWaalsContact CA-O 3.29Å; H170-S291 WeakPolarHBondContact CA-O 3.45Å; G171-S291 PolarHBondContact N-O 3.16Å; K177-S291 WeakPolarHBondContact CD-O 3.43Å; K177-S291 WeakPolarHBondContact CE-O 3.46Å; E247-S291 WeakPolarHBondContact OE2-CA 3.35Å; E247-S291 WeakPolarHBondContact OE2-CB 3.47Å; E247-S291 PolarHBondContact OE2-OG 3.39Å; S291-V293 VanDerWaalsContact C-N 3.29Å; S291-V293 PolarHBondContact OG-N 3.15Å
292	N	90.1	Very high	83.5	Confident	41 Å²	41	40 Å²	40	22%	0.219	21%	0.205	C	C	.	.	S	Bend	trans	-80.8	-9.7	173.2	-61.3	-56.3	0	0	0	113.7	G171 P173 K177 E245 E247	G171-N292 CarbonylContact O-C 3.59Å; G171-N292 WeakPolarHBondContact O-CA 3.32Å; P173-N292 WeakPolarHBondContact CA-OD1 3.07Å; P173-N292 HydrophobicContact CB-CB 4.46Å; K177-N292 WeakPolarHBondContact CE-OD1 3.47Å; K177-N292 PolarHBondContact NZ-OD1 3Å; E245-N292 PolarHBondContact OE1-ND2 3.25Å; E247-N292 VanDerWaalsContact CD-N 3.32Å; E247-N292 WeakPolarHBondContact OE1-CB 3.24Å; E247-N292 PolarHBondContact OE1-N 3.29Å; E247-N292 VanDerWaalsContact OE1-N 3.11Å; E247-N292 PolarHBondContact OE1-ND2 2.78Å; E247-N292 PolarHBondContact OE2-N 3.5Å
293	V	80.8	Confident	83.1	Confident	49 Å²	49	41.3 Å²	41.3	30%	0.297	22%	0.217	S	C	.	.			trans	-101.9	121.2	-174.7	-175.6	0	0	0	0	109.7	E247 S291 K296 I297	E247-V293 HydrophobicContact CB-CB 4.21Å; E247-V293 HydrophobicContact CB-CG2 3.54Å; E247-V293 HydrophobicContact CG-CG2 3.81Å; S291-V293 VanDerWaalsContact C-N 3.29Å; S291-V293 PolarHBondContact OG-N 3.15Å; V293-K296 HydrophobicContact CG1-CB 3.83Å; V293-I297 WeakPolarHBondContact O-CG1 3.42Å
294	T	69.8	Low	82.8	Confident	65 Å²	65	41.6 Å²	41.6	40%	0.399	21%	0.211	S	C	.	.	S	Bend	trans	-81.1	-28.7	-177.2	44.4	0	0	0	0	114.1	Y310	T294-Y310 HydrophobicContact CG2-CD2 4.17Å; T294-Y310 HydrophobicContact CG2-CE2 3.54Å
295	E	65.6	Low	82.5	Confident	175 Å²	175	41.7 Å²	41.7	82%	0.818	21%	0.213	S	C	*	.	S	Bend	trans	-110.1	-25.3	-170.5	-64.8	-178.4	176.6	0	0	114.8
296	K	65.4	Low	82	Confident	142 Å²	142	44 Å²	44	62%	0.617	23%	0.225	S	C	*	.			trans	-119.5	44.4	-171.1	-56.9	178.6	178.5	175.1	0	113.3	V293	V293-K296 HydrophobicContact CG1-CB 3.83Å
297	I	70.9	Confident	81.7	Confident	27 Å²	27	44.5 Å²	44.5	14%	0.138	23%	0.227	C	C	.	.			trans	-73.8	141.4	171.7	-49.6	176.6	0	0	0	109	L168 H170 V293 L299 V302	L168-I297 HydrophobicContact CD2-CD1 4.15Å; L168-I297 HydrophobicContact CD2-CG2 4.13Å; H170-I297 HydrophobicContact CB-CD1 3.5Å; H170-I297 VanDerWaalsContact CB-CD1 3.5Å; V293-I297 WeakPolarHBondContact O-CG1 3.42Å; I297-L299 PolarHBondContact O-N 3.4Å; I297-V302 HydrophobicContact CB-CG2 3.88Å; I297-V302 HydrophobicContact CG2-CG2 3.69Å
298	D	72.6	Confident	81.5	Confident	16 Å²	16	49.3 Å²	49.3	9%	0.086	25%	0.248	C	C	.	.			trans	-60.6	130.9	174.2	-162.1	-40.1	0	0	0	110.6	T250 R253 A300 F301 V302	T250-D298 HydrophobicContact CG2-CB 3.68Å; T250-D298 WeakPolarHBondContact OG1-CB 3.28Å; T250-D298 PolarHBondContact OG1-N 3.29Å; R253-D298 WeakPolarHBondContact CD-OD2 3.49Å; R253-D298 IonicContact CZ-OD2 2.73Å; R253-D298 IonicContact NE-OD2 2.83Å; R253-D298 VanDerWaalsContact NH1-CG 3.3Å; R253-D298 IonicContact NH1-OD1 3.83Å; R253-D298 PolarHBondContact NH1-OD1 3.4Å; R253-D298 IonicContact NH1-OD2 3.32Å; R253-D298 PolarHBondContact NH1-OD2 3.47Å; D298-A300 PolarHBondContact O-N 2.97Å; D298-A300 VanDerWaalsContact O-N 3.12Å; D298-A300 VanDerWaalsContact OD1-CB 3.31Å; D298-A300 WeakPolarHBondContact OD1-CB 3.39Å; D298-A300 PolarHBondContact OD1-N 2.82Å; D298-F301 HydrophobicContact CB-CD2 4.14Å; D298-F301 PolarHBondContact O-N 3.31Å; D298-V302 WeakPolarHBondContact O-CG2 3.22Å; D298-V302 PolarHBondContact O-N 3.32Å; D298-V302 VanDerWaalsContact O-N 3.15Å
299	L	71.6	Confident	81.4	Confident	121 Å²	121	50.6 Å²	50.6	63%	0.634	25%	0.254	S	S	*	.	H	α-helix	trans	-51.9	-32.6	172	-71.7	168.7	0	0	0	111.6	I297 F301 V302 D303	I297-L299 PolarHBondContact O-N 3.4Å; L299-F301 VanDerWaalsContact C-N 3.31Å; L299-F301 PolarHBondContact O-N 3.44Å; L299-V302 PolarHBondContact O-N 2.98Å; L299-D303 VanDerWaalsContact O-CB 3.3Å; L299-D303 WeakPolarHBondContact O-CB 3.26Å; L299-D303 PolarHBondContact O-N 2.91Å
300	A	74.9	Confident	81.3	Confident	11 Å²	11	55.9 Å²	55.9	9%	0.091	28%	0.275	C	S	.	.	H	α-helix	trans	-59.7	-37	177.7	0	0	0	0	0	113.6	L273 D298 R304	L273-A300 HydrophobicContact CD1-CB 3.77Å; L273-A300 HydrophobicContact CD2-CB 4.23Å; D298-A300 PolarHBondContact O-N 2.97Å; D298-A300 VanDerWaalsContact O-N 3.12Å; D298-A300 VanDerWaalsContact OD1-CB 3.31Å; D298-A300 WeakPolarHBondContact OD1-CB 3.39Å; D298-A300 PolarHBondContact OD1-N 2.82Å; A300-R304 VanDerWaalsContact O-CD 3.26Å; A300-R304 WeakPolarHBondContact O-CD 3.26Å; A300-R304 VanDerWaalsContact O-CG 3.23Å; A300-R304 WeakPolarHBondContact O-CG 3.46Å; A300-R304 PolarHBondContact O-NH1 3.31Å
301	F	77.4	Confident	81.3	Confident	5 Å²	5	56 Å²	56	2%	0.022	28%	0.275	C	S	.	.	H	α-helix	trans	-82.1	-38.9	175.4	-75.1	-76.3	0	0	0	111.3	V246 L249 L273 L276 T289 D298 L299 D303 R304 A305	V246-F301 HydrophobicContact CB-CD2 4.21Å; V246-F301 HydrophobicContact CB-CE2 4.17Å; V246-F301 HydrophobicContact CB-CG 4.46Å; V246-F301 HydrophobicContact CB-CZ 4.37Å; V246-F301 HydrophobicContact CG1-CD1 4.4Å; V246-F301 HydrophobicContact CG1-CE1 4.2Å; V246-F301 HydrophobicContact CG1-CZ 4.33Å; V246-F301 HydrophobicContact CG2-CD2 4.37Å; V246-F301 HydrophobicContact CG2-CG 4.39Å; L249-F301 HydrophobicContact CB-CE2 4.25Å; L249-F301 HydrophobicContact CD1-CE2 3.85Å; L249-F301 HydrophobicContact CD1-CZ 3.55Å; L273-F301 HydrophobicContact CD2-CD1 4.31Å; L273-F301 HydrophobicContact CD2-CD2 4.41Å; L273-F301 HydrophobicContact CD2-CE1 3.83Å; L273-F301 HydrophobicContact CD2-CE2 3.92Å; L273-F301 HydrophobicContact CD2-CZ 3.59Å; L273-F301 HydrophobicContact CG-CZ 4.47Å; L276-F301 HydrophobicContact CD1-CE1 3.88Å; T289-F301 HydrophobicContact CG2-CD1 4.36Å; D298-F301 HydrophobicContact CB-CD2 4.14Å; D298-F301 PolarHBondContact O-N 3.31Å; L299-F301 VanDerWaalsContact C-N 3.31Å; L299-F301 PolarHBondContact O-N 3.44Å; F301-D303 PolarHBondContact O-N 3.44Å; F301-R304 PolarHBondContact O-N 3.49Å; F301-A305 WeakPolarHBondContact O-CB 3.05Å; F301-A305 PolarHBondContact O-N 2.94Å; F301-A305 VanDerWaalsContact O-N 3.1Å
302	V	80.4	Confident	81.3	Confident	33 Å²	33	57 Å²	57	20%	0.2	29%	0.285	C	S	.	.	H	α-helix	trans	-62.1	-44.5	178.7	174.2	0	0	0	0	111.1	L168 I297 D298 L299 R304 A305 K308	L168-V302 HydrophobicContact CD2-CG2 4.19Å; I297-V302 HydrophobicContact CB-CG2 3.88Å; I297-V302 HydrophobicContact CG2-CG2 3.69Å; D298-V302 WeakPolarHBondContact O-CG2 3.22Å; D298-V302 PolarHBondContact O-N 3.32Å; D298-V302 VanDerWaalsContact O-N 3.15Å; L299-V302 PolarHBondContact O-N 2.98Å; V302-R304 PolarHBondContact O-N 3.07Å; V302-A305 PolarHBondContact O-N 3.29Å; V302-K308 HydrophobicContact CG1-CD 4.06Å; V302-K308 WeakPolarHBondContact O-CE 3.38Å; V302-K308 PolarHBondContact O-NZ 3.04Å
303	D	81.5	Confident	81.3	Confident	112 Å²	112	57.8 Å²	57.8	60%	0.599	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-22.2	-178.6	-65.3	-18.6	0	0	0	112.5	L299 F301	L299-D303 VanDerWaalsContact O-CB 3.3Å; L299-D303 WeakPolarHBondContact O-CB 3.26Å; L299-D303 PolarHBondContact O-N 2.91Å; F301-D303 PolarHBondContact O-N 3.44Å
304	R	84	Confident	81.9	Confident	62 Å²	62	56.6 Å²	56.6	23%	0.234	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-17	177.7	-73.7	176.6	176.3	74.4	-0.3	113.7	N164 V166 D277 A300 F301 V302	N164-R304 WeakPolarHBondContact CB-O 3.46Å; V166-R304 VanDerWaalsContact CB-O 3.32Å; V166-R304 WeakPolarHBondContact CB-O 3.32Å; D277-R304 VanDerWaalsContact CG-NE 3.34Å; D277-R304 IonicContact OD1-CZ 3.02Å; D277-R304 IonicContact OD1-NE 2.89Å; D277-R304 PolarHBondContact OD1-NE 3.41Å; D277-R304 IonicContact OD2-CZ 3.66Å; D277-R304 IonicContact OD2-NE 3.38Å; D277-R304 PolarHBondContact OD2-NE 3.29Å; D277-R304 IonicContact OD2-NH2 2.88Å; D277-R304 PolarHBondContact OD2-NH2 3.31Å; A300-R304 VanDerWaalsContact O-CD 3.26Å; A300-R304 WeakPolarHBondContact O-CD 3.26Å; A300-R304 VanDerWaalsContact O-CG 3.23Å; A300-R304 WeakPolarHBondContact O-CG 3.46Å; A300-R304 PolarHBondContact O-NH1 3.31Å; F301-R304 PolarHBondContact O-N 3.49Å; V302-R304 PolarHBondContact O-N 3.07Å
305	A	86.4	Confident	82.9	Confident	7 Å²	7	55.6 Å²	55.6	6%	0.058	28%	0.282	C	S	.	.			trans	-91.1	121	-175.5	0	0	0	0	0	111.1	V166 L168 F301 V302 K308	V166-A305 HydrophobicContact CG1-CB 4.07Å; L168-A305 HydrophobicContact CB-CB 3.65Å; F301-A305 WeakPolarHBondContact O-CB 3.05Å; F301-A305 PolarHBondContact O-N 2.94Å; F301-A305 VanDerWaalsContact O-N 3.1Å; V302-A305 PolarHBondContact O-N 3.29Å; A305-K308 HydrophobicContact CB-CG 4.26Å; A305-K308 WeakPolarHBondContact O-CE 3.4Å
306	D	85.8	Confident	84.2	Confident	51 Å²	51	50.6 Å²	50.6	27%	0.273	26%	0.258	S	S	.	.	S	Bend	trans	-72.4	-40.7	172.6	-67.2	-20.9	0	0	0	111.6	Y144 W163 N164 V166	Y144-D306 HydrophobicContact CE1-CB 4.18Å; Y144-D306 HydrophobicContact CE2-CB 4.39Å; Y144-D306 WeakPolarHBondContact OH-CB 3.48Å; Y144-D306 PolarHBondContact OH-OD2 3.04Å; W163-D306 VanDerWaalsContact C-OD2 3.23Å; W163-D306 VanDerWaalsContact CA-OD2 3.27Å; W163-D306 WeakPolarHBondContact CA-OD2 3.5Å; W163-D306 VanDerWaalsContact CB-OD2 3.31Å; W163-D306 WeakPolarHBondContact CB-OD2 3.27Å; N164-D306 WeakPolarHBondContact CA-OD2 3.29Å; N164-D306 WeakPolarHBondContact CB-OD1 3.33Å; N164-D306 PolarHBondContact N-OD1 2.92Å; N164-D306 PolarHBondContact N-OD2 3.38Å; N164-D306 PolarHBondContact ND2-OD1 2.57Å; V166-D306 PolarHBondContact O-N 2.68Å; V166-D306 VanDerWaalsContact O-N 3.16Å
307	I	88.4	Confident	85.4	Confident	13 Å²	13	48.7 Å²	48.7	7%	0.067	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	127	172.5	-73	-160.9	0	0	0	110.1	L141 Y144 V167 L168 Q309	L141-I307 HydrophobicContact CD2-CD1 4.27Å; L141-I307 HydrophobicContact CD2-CG2 3.78Å; Y144-I307 HydrophobicContact CD1-CD1 3.35Å; Y144-I307 HydrophobicContact CD1-CG1 3.63Å; Y144-I307 HydrophobicContact CD2-CD1 3.46Å; Y144-I307 VanDerWaalsContact CD2-CD1 3.46Å; Y144-I307 HydrophobicContact CD2-CG1 3.74Å; Y144-I307 HydrophobicContact CE1-CD1 4.08Å; Y144-I307 HydrophobicContact CE1-CG1 3.81Å; Y144-I307 HydrophobicContact CE2-CD1 4.15Å; Y144-I307 HydrophobicContact CE2-CG1 3.9Å; Y144-I307 HydrophobicContact CG-CD1 3.02Å; Y144-I307 HydrophobicContact CG-CG1 3.62Å; V167-I307 HydrophobicContact CG1-CB 4.3Å; V167-I307 HydrophobicContact CG1-CG2 4.05Å; L168-I307 PolarHBondContact N-O 3.37Å; I307-Q309 HydrophobicContact CG2-CB 4Å
308	K	91	Very high	86.4	Confident	103 Å²	103	47.6 Å²	47.6	45%	0.448	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	102	168.1	-59.9	164.5	-168.2	178	0	106.8	L168 V302 A305	L168-K308 HydrophobicContact CD2-CG 4.49Å; L168-K308 WeakPolarHBondContact O-CA 3.45Å; V302-K308 HydrophobicContact CG1-CD 4.06Å; V302-K308 WeakPolarHBondContact O-CE 3.38Å; V302-K308 PolarHBondContact O-NZ 3.04Å; A305-K308 HydrophobicContact CB-CG 4.26Å; A305-K308 WeakPolarHBondContact O-CE 3.4Å
309	Q	92.8	Very high	87.5	Confident	28 Å²	28	46.8 Å²	46.8	13%	0.131	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	116.6	-178.2	-175.9	58.7	57.4	0	0	109.8	V137 L141 L168 L169 H170 I307 I311	V137-Q309 HydrophobicContact CG1-CG 4.06Å; L141-Q309 HydrophobicContact CD2-CB 4.31Å; L168-Q309 PolarHBondContact O-N 3.24Å; L169-Q309 WeakPolarHBondContact CA-O 3.28Å; L169-Q309 HydrophobicContact CD2-CB 3.8Å; L169-Q309 HydrophobicContact CD2-CG 4.39Å; H170-Q309 PolarHBondContact CD2-O 2.79Å; H170-Q309 PolarHBondContact N-O 2.92Å; I307-Q309 HydrophobicContact CG2-CB 4Å; Q309-I311 HydrophobicContact CG-CD1 3.76Å
310	Y	92.5	Very high	88.6	Confident	112 Å²	112	41 Å²	41	44%	0.439	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	130.6	169.9	177.2	-109.6	0	0	0	110	H170 T294	H170-Y310 AromaticContact CE1-CD2 3.81Å; H170-Y310 AromaticContact ND1-CD2 3.91Å; H170-Y310 CarbonylContact O-C 3.5Å; H170-Y310 VanDerWaalsContact O-CA 3.28Å; H170-Y310 WeakPolarHBondContact O-CA 3.4Å; H170-Y310 WeakPolarHBondContact O-CD2 3.31Å; T294-Y310 HydrophobicContact CG2-CD2 4.17Å; T294-Y310 HydrophobicContact CG2-CE2 3.54Å
311	I	93.1	Very high	89.4	Confident	3 Å²	3	43.4 Å²	43.4	2%	0.015	22%	0.222	C	C	.	.			trans	-120.1	91.9	176.3	-53.5	-64.3	0	0	0	108.3	Y133 V137 L169 H170 T175 K177 L180 Q309	Y133-I311 HydrophobicContact CD1-CG2 4.03Å; Y133-I311 HydrophobicContact CE1-CG2 3.43Å; Y133-I311 VanDerWaalsContact CE1-CG2 3.43Å; V137-I311 HydrophobicContact CG1-CD1 3.75Å; L169-I311 HydrophobicContact CB-CG1 4.46Å; H170-I311 PolarHBondContact O-N 3.48Å; T175-I311 PolarHBondContact OG1-O 3.44Å; K177-I311 HydrophobicContact CG-CB 4.14Å; K177-I311 HydrophobicContact CG-CG1 4.39Å; K177-I311 HydrophobicContact CG-CG2 4.46Å; L180-I311 HydrophobicContact CD2-CD1 3.87Å; L180-I311 HydrophobicContact CD2-CG1 4.46Å; Q309-I311 HydrophobicContact CG-CD1 3.76Å
312	G	91.4	Very high	90.2	Very high	20 Å²	20	43.5 Å²	43.5	21%	0.206	22%	0.223	C	C	.	.			trans	-79.1	179	178.8	0	0	0	0	0	114.1	T175	T175-G312 WeakPolarHBondContact CG2-O 3.5Å
313	P	91.4	Very high	91	Very high	58 Å²	58	42 Å²	42	38%	0.377	21%	0.214	S	C	.	.	S	Bend	trans	-60.1	149.1	167	28.8	-34.2	0	0	0	110.2
314	P	92.3	Very high	91.6	Very high	24 Å²	24	37.2 Å²	37.2	16%	0.156	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-65.5	145.9	-176.7	25.9	-32.8	0	0	0	111.9	I319 I322 L380	P314-I319 HydrophobicContact CB-CG1 4.12Å; P314-I319 HydrophobicContact CG-CG1 3.8Å; P314-I322 HydrophobicContact CB-CD1 4.28Å; P314-I322 HydrophobicContact CG-CD1 4.2Å; P314-L380 HydrophobicContact CG-CD1 3.36Å
315	S	92.4	Very high	92.1	Very high	44 Å²	44	36.2 Å²	36.2	31%	0.308	19%	0.19	S	C	.	.	P	Polyproline II helix	trans	-65.7	165.9	172.1	69.8	0	0	0	0	111.4	K317 G318 I319	S315-K317 PolarHBondContact O-N 3.26Å; S315-G318 CarbonylContact O-C 3.58Å; S315-G318 WeakPolarHBondContact O-CA 3.15Å; S315-G318 PolarHBondContact O-N 3.46Å; S315-G318 PolarHBondContact OG-N 3.29Å; S315-I319 WeakPolarHBondContact O-CG1 3.38Å; S315-I319 PolarHBondContact O-N 2.81Å
316	E	91.9	Very high	92.5	Very high	70 Å²	70	36.7 Å²	36.7	33%	0.327	19%	0.193	S	C	.	.	H	α-helix	trans	-55.9	-37.9	177.8	-67.6	169.1	-154.7	0	0	112.5	Y320 K373	E316-Y320 WeakPolarHBondContact O-CB 3.48Å; E316-Y320 PolarHBondContact O-N 3.44Å; E316-K373 HydrophobicContact CG-CD 4.38Å; E316-K373 IonicContact OE1-NZ 3.92Å; E316-K373 PolarHBondContact OE1-NZ 3.45Å
317	K	90.8	Very high	93	Very high	102 Å²	102	34.3 Å²	34.3	44%	0.443	18%	0.181	S	C	.	.	H	α-helix	trans	-65.3	-42.9	172.8	-66	-172.8	175	-163.6	0	111.5	S315 Y320 N321 M345 E349	S315-K317 PolarHBondContact O-N 3.26Å; K317-Y320 PolarHBondContact O-N 2.93Å; K317-N321 PolarHBondContact O-N 2.98Å; K317-M345 HydrophobicContact CG-CG 4.42Å; K317-E349 WeakPolarHBondContact CE-OE1 3.22Å; K317-E349 IonicContact NZ-OE1 3.83Å; K317-E349 PolarHBondContact NZ-OE1 3.35Å; K317-E349 IonicContact NZ-OE2 2.9Å; K317-E349 PolarHBondContact NZ-OE2 2.95Å
318	G	91.8	Very high	93.2	Very high	4 Å²	4	38.1 Å²	38.1	4%	0.041	20%	0.198	C	C	.	.	H	α-helix	trans	-62.1	-44.6	175.8	0	0	0	0	0	112.8	S315 Y320 N321 I322	S315-G318 CarbonylContact O-C 3.58Å; S315-G318 WeakPolarHBondContact O-CA 3.15Å; S315-G318 PolarHBondContact O-N 3.46Å; S315-G318 PolarHBondContact OG-N 3.29Å; G318-Y320 VanDerWaalsContact C-N 3.34Å; G318-Y320 PolarHBondContact O-N 3.2Å; G318-N321 PolarHBondContact O-N 3.02Å; G318-I322 VanDerWaalsContact O-CG1 3.31Å; G318-I322 WeakPolarHBondContact O-CG1 3.18Å; G318-I322 PolarHBondContact O-N 3.33Å
319	I	95	Very high	93.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-59.8	-46.1	176.1	-63.5	168.9	0	0	0	110.6	P314 S315 N321 I322 Y323 A369 L380	P314-I319 HydrophobicContact CB-CG1 4.12Å; P314-I319 HydrophobicContact CG-CG1 3.8Å; S315-I319 WeakPolarHBondContact O-CG1 3.38Å; S315-I319 PolarHBondContact O-N 2.81Å; I319-N321 VanDerWaalsContact C-N 3.35Å; I319-N321 PolarHBondContact O-N 3.06Å; I319-I322 PolarHBondContact O-N 3.39Å; I319-Y323 HydrophobicContact CG2-CD2 3.9Å; I319-Y323 HydrophobicContact CG2-CE2 3.53Å; I319-Y323 PolarHBondContact O-N 3.47Å; I319-A369 HydrophobicContact CB-CB 4.19Å; I319-A369 HydrophobicContact CG2-CB 3.75Å; I319-L380 HydrophobicContact CB-CD1 4.45Å; I319-L380 HydrophobicContact CG1-CD1 3.76Å; I319-L380 HydrophobicContact CG1-CD2 4.49Å; I319-L380 HydrophobicContact CG2-CD1 4.33Å; I319-L380 HydrophobicContact CG2-CD2 3.87Å
320	Y	94.9	Very high	93.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-58.1	-47.6	177.3	-176.4	-90.4	0	0	0	111.9	E316 K317 G318 I322 Y323 L324 F343 M345 L348 S362 L365 R366 A369	E316-Y320 WeakPolarHBondContact O-CB 3.48Å; E316-Y320 PolarHBondContact O-N 3.44Å; K317-Y320 PolarHBondContact O-N 2.93Å; G318-Y320 VanDerWaalsContact C-N 3.34Å; G318-Y320 PolarHBondContact O-N 3.2Å; Y320-I322 VanDerWaalsContact C-N 3.33Å; Y320-I322 PolarHBondContact O-N 2.91Å; Y320-Y323 PolarHBondContact O-N 3.18Å; Y320-L324 HydrophobicContact CE1-CD2 4.33Å; Y320-L324 WeakPolarHBondContact O-CB 3.3Å; Y320-L324 PolarHBondContact O-N 3.17Å; Y320-F343 WeakPolarHBondContact CE1-O 3.41Å; Y320-F343 PolarHBondContact OH-O 2.99Å; Y320-M345 VanDerWaalsContact CB-CE 3.41Å; Y320-M345 HydrophobicContact CD1-CE 4.19Å; Y320-M345 HydrophobicContact CD1-CG 3.55Å; Y320-M345 HydrophobicContact CD1-SD 4.27Å; Y320-M345 HydrophobicContact CD2-CE 3.68Å; Y320-M345 HydrophobicContact CD2-SD 4.4Å; Y320-M345 HydrophobicContact CE1-CG 4.1Å; Y320-M345 HydrophobicContact CE2-CE 4.46Å; Y320-M345 HydrophobicContact CG-CE 3.49Å; Y320-M345 VanDerWaalsContact CG-CE 3.49Å; Y320-M345 HydrophobicContact CG-CG 3.85Å; Y320-M345 HydrophobicContact CG-SD 4.13Å; Y320-L348 HydrophobicContact CE2-CD1 4.35Å; Y320-S362 WeakPolarHBondContact CE2-O 3.37Å; Y320-L365 HydrophobicContact CD2-CB 4.49Å; Y320-L365 HydrophobicContact CD2-CD2 4.08Å; Y320-L365 HydrophobicContact CD2-CG 3.91Å; Y320-L365 HydrophobicContact CE2-CB 3.91Å; Y320-L365 HydrophobicContact CE2-CD2 3.62Å; Y320-L365 HydrophobicContact CE2-CG 3.66Å; Y320-R366 HydrophobicContact CD2-CB 4.17Å; Y320-R366 HydrophobicContact CE2-CB 4.1Å; Y320-A369 HydrophobicContact CD2-CB 4.46Å
321	N	92.6	Very high	93.5	Very high	61 Å²	61	33.1 Å²	33.1	33%	0.326	18%	0.181	S	C	.	.	H	α-helix	trans	-64.2	-37.1	178.7	-70.4	-11.2	0	0	0	112.2	V132 K317 G318 I319 L324 S325	V132-N321 HydrophobicContact CG1-CB 4Å; V132-N321 HydrophobicContact CG2-CB 4.35Å; K317-N321 PolarHBondContact O-N 2.98Å; G318-N321 PolarHBondContact O-N 3.02Å; I319-N321 VanDerWaalsContact C-N 3.35Å; I319-N321 PolarHBondContact O-N 3.06Å; N321-L324 PolarHBondContact O-N 2.88Å; N321-S325 PolarHBondContact O-N 2.81Å
322	I	94.4	Very high	93.5	Very high	7 Å²	7	40 Å²	40	4%	0.036	21%	0.211	C	C	.	.	H	α-helix	trans	-59.7	-50.7	172.5	-69.5	165.2	0	0	0	109.8	V132 P314 G318 I319 Y320 L324 S325 C326 L380 R381	V132-I322 HydrophobicContact CB-CG1 4.08Å; V132-I322 HydrophobicContact CG2-CG1 4.09Å; P314-I322 HydrophobicContact CB-CD1 4.28Å; P314-I322 HydrophobicContact CG-CD1 4.2Å; G318-I322 VanDerWaalsContact O-CG1 3.31Å; G318-I322 WeakPolarHBondContact O-CG1 3.18Å; G318-I322 PolarHBondContact O-N 3.33Å; I319-I322 PolarHBondContact O-N 3.39Å; Y320-I322 VanDerWaalsContact C-N 3.33Å; Y320-I322 PolarHBondContact O-N 2.91Å; I322-L324 PolarHBondContact O-N 3.32Å; I322-S325 PolarHBondContact O-N 3.21Å; I322-S325 PolarHBondContact O-OG 3.29Å; I322-C326 PolarHBondContact O-N 3.36Å; I322-C326 PolarHBondContact O-SG 3.01Å; I322-C326 VanDerWaalsContact O-SG 3.36Å; I322-L380 HydrophobicContact CD1-CD1 4.06Å; I322-L380 HydrophobicContact CG2-CB 4.25Å; I322-R381 HydrophobicContact CG2-CG 3.91Å
323	Y	96.1	Very high	93.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-65.1	-39	179.2	-69.3	-33.3	0	0	0	113.4	I319 Y320 S325 C326 L327 L365 I368 A369 S372 L380 L383 M406	I319-Y323 HydrophobicContact CG2-CD2 3.9Å; I319-Y323 HydrophobicContact CG2-CE2 3.53Å; I319-Y323 PolarHBondContact O-N 3.47Å; Y320-Y323 PolarHBondContact O-N 3.18Å; Y323-S325 VanDerWaalsContact C-N 3.33Å; Y323-S325 PolarHBondContact O-N 3.05Å; Y323-C326 PolarHBondContact O-N 3.38Å; Y323-L327 WeakPolarHBondContact O-CB 3.32Å; Y323-L327 VanDerWaalsContact O-CG 3.3Å; Y323-L327 WeakPolarHBondContact O-CG 3.19Å; Y323-L327 PolarHBondContact O-N 3.2Å; Y323-L365 HydrophobicContact CD2-CD1 3.97Å; Y323-L365 HydrophobicContact CG-CD1 4.09Å; Y323-I368 HydrophobicContact CD2-CG2 4.47Å; Y323-I368 HydrophobicContact CE2-CG2 3.88Å; Y323-A369 HydrophobicContact CD2-CB 4.35Å; Y323-A369 HydrophobicContact CE2-CB 4.5Å; Y323-S372 VanDerWaalsContact OH-CB 3.24Å; Y323-S372 WeakPolarHBondContact OH-CB 3.4Å; Y323-S372 PolarHBondContact OH-OG 3.43Å; Y323-L380 HydrophobicContact CE1-CD2 4.2Å; Y323-L380 VanDerWaalsContact OH-CD2 3.29Å; Y323-L380 WeakPolarHBondContact OH-CD2 3.37Å; Y323-L383 HydrophobicContact CE1-CB 4.48Å; Y323-L383 HydrophobicContact CE1-CD1 4.19Å; Y323-L383 WeakPolarHBondContact OH-CD1 3.5Å; Y323-M406 HydrophobicContact CD1-CE 3.66Å; Y323-M406 HydrophobicContact CE1-CE 3.56Å; Y323-M406 HydrophobicContact CG-CE 4.28Å
324	L	94.7	Very high	93.8	Very high	13 Å²	13	46.5 Å²	46.5	7%	0.068	24%	0.238	C	C	.	.	H	α-helix	trans	-56	-50.4	174.1	-177.1	62.9	0	0	0	110.1	Y320 N321 I322 C326 L327 E328 L342 T344	Y320-L324 HydrophobicContact CE1-CD2 4.33Å; Y320-L324 WeakPolarHBondContact O-CB 3.3Å; Y320-L324 PolarHBondContact O-N 3.17Å; N321-L324 PolarHBondContact O-N 2.88Å; I322-L324 PolarHBondContact O-N 3.32Å; L324-C326 VanDerWaalsContact C-N 3.31Å; L324-C326 PolarHBondContact O-N 3.02Å; L324-L327 PolarHBondContact O-N 3.13Å; L324-E328 HydrophobicContact CD1-CG 4.43Å; L324-E328 WeakPolarHBondContact O-CG 3.41Å; L324-E328 PolarHBondContact O-N 2.8Å; L324-L342 HydrophobicContact CD1-CB 3.48Å; L324-L342 VanDerWaalsContact CD1-CB 3.48Å; L324-L342 HydrophobicContact CD1-CD1 3.86Å; L324-L342 HydrophobicContact CD1-CG 4.33Å; L324-T344 HydrophobicContact CD2-CG2 4.41Å
325	S	93.6	Very high	93.8	Very high	40 Å²	40	47.8 Å²	47.8	28%	0.28	24%	0.243	S	C	.	.	H	α-helix	trans	-59.2	-39.4	177.3	75	0	0	0	0	113	N321 I322 Y323 E329	N321-S325 PolarHBondContact O-N 2.81Å; I322-S325 PolarHBondContact O-N 3.21Å; I322-S325 PolarHBondContact O-OG 3.29Å; Y323-S325 VanDerWaalsContact C-N 3.33Å; Y323-S325 PolarHBondContact O-N 3.05Å; S325-E329 PolarHBondContact O-N 3.47Å; S325-E329 VanDerWaalsContact O-N 3.14Å
326	C	95.3	Very high	94	Very high	17 Å²	17	45.8 Å²	45.8	12%	0.115	23%	0.229	C	C	.	.	H	α-helix	trans	-67.9	-41.8	177.3	-69	0	0	0	0	112.2	I322 Y323 L324 E329 L330 P384	I322-C326 PolarHBondContact O-N 3.36Å; I322-C326 PolarHBondContact O-SG 3.01Å; I322-C326 VanDerWaalsContact O-SG 3.36Å; Y323-C326 PolarHBondContact O-N 3.38Å; L324-C326 VanDerWaalsContact C-N 3.31Å; L324-C326 PolarHBondContact O-N 3.02Å; C326-E329 PolarHBondContact O-N 3.29Å; C326-L330 VanDerWaalsContact O-CG 3.3Å; C326-L330 WeakPolarHBondContact O-CG 3.32Å; C326-L330 PolarHBondContact O-N 3.21Å; C326-P384 HydrophobicContact CB-CG 3.81Å
327	L	95.4	Very high	94	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-69.1	-39.9	179.6	-69	175.6	0	0	0	111.6	Y323 L324 E329 L330 M331 I336 L342 L365 L399 F402 L403	Y323-L327 WeakPolarHBondContact O-CB 3.32Å; Y323-L327 VanDerWaalsContact O-CG 3.3Å; Y323-L327 WeakPolarHBondContact O-CG 3.19Å; Y323-L327 PolarHBondContact O-N 3.2Å; L324-L327 PolarHBondContact O-N 3.13Å; L327-E329 VanDerWaalsContact C-N 3.32Å; L327-E329 PolarHBondContact O-N 3Å; L327-L330 PolarHBondContact O-N 3.46Å; L327-M331 VanDerWaalsContact O-CG 3.29Å; L327-M331 WeakPolarHBondContact O-CG 3.05Å; L327-M331 PolarHBondContact O-N 3.34Å; L327-I336 HydrophobicContact CD2-CD1 3.6Å; L327-L342 HydrophobicContact CB-CD1 4.24Å; L327-L342 HydrophobicContact CD1-CD1 3.75Å; L327-L365 HydrophobicContact CD1-CD1 3.84Å; L327-L365 HydrophobicContact CD1-CD2 3.89Å; L327-L365 HydrophobicContact CD1-CG 4.42Å; L327-L399 HydrophobicContact CD1-CD1 4.29Å; L327-L399 HydrophobicContact CD2-CD1 4.27Å; L327-F402 HydrophobicContact CD2-CD1 3.46Å; L327-F402 VanDerWaalsContact CD2-CD1 3.46Å; L327-F402 HydrophobicContact CD2-CE1 3.52Å; L327-L403 HydrophobicContact CD1-CD2 3.95Å
328	E	93.6	Very high	94.1	Very high	93 Å²	93	48 Å²	48	44%	0.435	24%	0.241	S	C	.	.	H	α-helix	trans	-60	-42.8	174.3	-74.1	176.3	170.2	0	0	111.7	L324 M331 K332	L324-E328 HydrophobicContact CD1-CG 4.43Å; L324-E328 WeakPolarHBondContact O-CG 3.41Å; L324-E328 PolarHBondContact O-N 2.8Å; E328-M331 PolarHBondContact O-N 2.74Å; E328-K332 WeakPolarHBondContact O-CB 3.48Å; E328-K332 PolarHBondContact O-N 3.13Å
329	E	93.9	Very high	94.1	Very high	94 Å²	94	56.4 Å²	56.4	44%	0.439	27%	0.271	S	S	.	.	H	α-helix	trans	-64.3	-43.1	175.5	-175.6	58.7	-156.7	0	0	111.8	S325 C326 L327 M331 K332 C333	S325-E329 PolarHBondContact O-N 3.47Å; S325-E329 VanDerWaalsContact O-N 3.14Å; C326-E329 PolarHBondContact O-N 3.29Å; L327-E329 VanDerWaalsContact C-N 3.32Å; L327-E329 PolarHBondContact O-N 3Å; E329-M331 VanDerWaalsContact C-N 3.31Å; E329-M331 PolarHBondContact O-N 3.11Å; E329-K332 WeakPolarHBondContact O-CB 3.35Å; E329-K332 PolarHBondContact O-N 3.29Å; E329-K332 IonicContact OE2-NZ 3.13Å; E329-C333 WeakPolarHBondContact O-CB 3.15Å; E329-C333 PolarHBondContact O-N 2.69Å; E329-C333 PolarHBondContact OE1-SG 2.8Å
330	L	94.8	Very high	93.8	Very high	32 Å²	32	59.6 Å²	59.6	17%	0.168	29%	0.286	C	S	.	.	H	α-helix	trans	-65.7	-32.7	176.3	-69.3	176.4	0	0	0	113	C326 L327 Q334 I335 I336 P384 F402	C326-L330 VanDerWaalsContact O-CG 3.3Å; C326-L330 WeakPolarHBondContact O-CG 3.32Å; C326-L330 PolarHBondContact O-N 3.21Å; L327-L330 PolarHBondContact O-N 3.46Å; L330-Q334 PolarHBondContact O-N 3.44Å; L330-I335 HydrophobicContact CD2-CB 4.31Å; L330-I335 HydrophobicContact CD2-CD1 3.72Å; L330-I335 HydrophobicContact CD2-CG2 4.39Å; L330-I335 PolarHBondContact O-N 2.84Å; L330-I336 HydrophobicContact CB-CD1 3.68Å; L330-I336 HydrophobicContact CB-CG1 3.9Å; L330-I336 HydrophobicContact CD1-CD1 3.94Å; L330-I336 HydrophobicContact CG-CD1 4.49Å; L330-I336 PolarHBondContact O-N 2.91Å; L330-I336 VanDerWaalsContact O-N 3.13Å; L330-P384 HydrophobicContact CD1-CB 4.17Å; L330-F402 HydrophobicContact CD1-CE1 3.66Å; L330-F402 HydrophobicContact CD1-CE2 4.11Å; L330-F402 HydrophobicContact CD1-CZ 3.38Å
331	M	94.8	Very high	93.6	Very high	12 Å²	12	66.2 Å²	66.2	6%	0.059	32%	0.317	C	S	.	.	H	α-helix	trans	-71.6	-40.4	172.5	-71.6	-179.8	-162.8	0	0	111.8	L327 E328 E329 C333 Q334 I336 R339 L342 L399	L327-M331 VanDerWaalsContact O-CG 3.29Å; L327-M331 WeakPolarHBondContact O-CG 3.05Å; L327-M331 PolarHBondContact O-N 3.34Å; E328-M331 PolarHBondContact O-N 2.74Å; E329-M331 VanDerWaalsContact C-N 3.31Å; E329-M331 PolarHBondContact O-N 3.11Å; M331-C333 VanDerWaalsContact C-N 3.3Å; M331-C333 PolarHBondContact O-N 3.38Å; M331-Q334 PolarHBondContact O-N 3.08Å; M331-I336 HydrophobicContact CE-CG2 4.26Å; M331-I336 HydrophobicContact CG-CB 3.85Å; M331-I336 HydrophobicContact CG-CG2 3.85Å; M331-R339 HydrophobicContact CB-CG 4.26Å; M331-R339 HydrophobicContact SD-CG 4.1Å; M331-L342 HydrophobicContact CE-CD1 4.22Å; M331-L399 HydrophobicContact CE-CD1 3.66Å; M331-L399 HydrophobicContact CE-CD2 3.64Å; M331-L399 HydrophobicContact CE-CG 4.13Å
332	K	92.8	Very high	93.5	Very high	147 Å²	147	63.7 Å²	63.7	64%	0.639	30%	0.304	S	S	*	.	H	α-helix	trans	-60.4	-42	175.2	-178.3	-172	173.6	-165.9	0	111.1	E328 E329 Q334	E328-K332 WeakPolarHBondContact O-CB 3.48Å; E328-K332 PolarHBondContact O-N 3.13Å; E329-K332 WeakPolarHBondContact O-CB 3.35Å; E329-K332 PolarHBondContact O-N 3.29Å; E329-K332 IonicContact OE2-NZ 3.13Å; K332-Q334 PolarHBondContact O-N 3.16Å
333	C	93.9	Very high	93.3	Very high	71 Å²	71	65 Å²	65	48%	0.48	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	3.5	175.3	-70.4	0	0	0	0	114.1	E329 M331 I335	E329-C333 WeakPolarHBondContact O-CB 3.15Å; E329-C333 PolarHBondContact O-N 2.69Å; E329-C333 PolarHBondContact OE1-SG 2.8Å; M331-C333 VanDerWaalsContact C-N 3.3Å; M331-C333 PolarHBondContact O-N 3.38Å; C333-I335 HydrophobicContact CB-CD1 4.34Å; C333-I335 HydrophobicContact CB-CG1 4.39Å; C333-I335 PolarHBondContact O-N 3.47Å; C333-I335 VanDerWaalsContact O-N 3.11Å
334	Q	93.6	Very high	92.9	Very high	143 Å²	143	67.7 Å²	67.7	67%	0.668	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	16.7	178.8	-53.7	-177.9	-11.9	0	0	115.4	L330 M331 K332	L330-Q334 PolarHBondContact O-N 3.44Å; M331-Q334 PolarHBondContact O-N 3.08Å; K332-Q334 PolarHBondContact O-N 3.16Å
335	I	94.2	Very high	92.4	Very high	52 Å²	52	68 Å²	68	27%	0.267	33%	0.327	S	S	.	.	S	Bend	trans	-71.3	-41.8	170.7	-62.9	170.4	0	0	0	109	L330 C333 S396 V397	L330-I335 HydrophobicContact CD2-CB 4.31Å; L330-I335 HydrophobicContact CD2-CD1 3.72Å; L330-I335 HydrophobicContact CD2-CG2 4.39Å; L330-I335 PolarHBondContact O-N 2.84Å; C333-I335 HydrophobicContact CB-CD1 4.34Å; C333-I335 HydrophobicContact CB-CG1 4.39Å; C333-I335 PolarHBondContact O-N 3.47Å; C333-I335 VanDerWaalsContact O-N 3.11Å; I335-S396 WeakPolarHBondContact O-CA 3.45Å; I335-V397 PolarHBondContact O-N 2.98Å
336	I	94.7	Very high	92	Very high	1 Å²	1	73 Å²	73	1%	0.005	34%	0.34	C	S	.	.	B	Isolated β-bridge	trans	-95.9	118.4	169.8	-61.9	174.6	0	0	0	108.8	L327 L330 M331 V397 L399 F402	L327-I336 HydrophobicContact CD2-CD1 3.6Å; L330-I336 HydrophobicContact CB-CD1 3.68Å; L330-I336 HydrophobicContact CB-CG1 3.9Å; L330-I336 HydrophobicContact CD1-CD1 3.94Å; L330-I336 HydrophobicContact CG-CD1 4.49Å; L330-I336 PolarHBondContact O-N 2.91Å; L330-I336 VanDerWaalsContact O-N 3.13Å; M331-I336 HydrophobicContact CE-CG2 4.26Å; M331-I336 HydrophobicContact CG-CB 3.85Å; M331-I336 HydrophobicContact CG-CG2 3.85Å; I336-V397 VanDerWaalsContact CA-O 3.3Å; I336-V397 WeakPolarHBondContact CA-O 3.42Å; I336-V397 HydrophobicContact CG1-CG1 4.26Å; I336-L399 HydrophobicContact CD1-CD1 4.44Å; I336-L399 HydrophobicContact CG2-CB 3.92Å; I336-L399 HydrophobicContact CG2-CD1 4.28Å; I336-F402 HydrophobicContact CD1-CB 4.2Å; I336-F402 HydrophobicContact CD1-CD1 3.59Å; I336-F402 HydrophobicContact CD1-CD2 4.39Å; I336-F402 HydrophobicContact CD1-CE1 4.03Å; I336-F402 HydrophobicContact CD1-CG 3.78Å; I336-F402 HydrophobicContact CG1-CB 4.38Å; I336-F402 HydrophobicContact CG1-CD1 4.43Å; I336-F402 HydrophobicContact CG1-CD2 4.42Å; I336-F402 HydrophobicContact CG1-CG 4.15Å
337	Y	92.6	Very high	91.6	Very high	155 Å²	155	75.6 Å²	75.6	61%	0.608	35%	0.351	S	S	*	.			trans	-141	140.7	-178.7	-174	-90.8	0	0	0	111.5	V397	Y337-V397 PolarHBondContact N-O 2.81Å
338	P	93	Very high	91.2	Very high	64 Å²	64	75.6 Å²	75.6	42%	0.416	35%	0.351	S	S	.	.	S	Bend	cis	-72.4	159.3	-3.6	31.7	-35.9	0	0	0	112.7	Q340	P338-Q340 PolarHBondContact O-N 2.88Å
339	R	91.7	Very high	90.8	Very high	181 Å²	181	74.9 Å²	74.9	68%	0.683	35%	0.348	S	S	*	.			trans	-62.3	128.9	172.9	-176.6	173.9	-178.2	173.4	0.8	109.4	M331	M331-R339 HydrophobicContact CB-CG 4.26Å; M331-R339 HydrophobicContact SD-CG 4.1Å
340	Q	89.9	Confident	90.4	Very high	66 Å²	66	75 Å²	75	31%	0.308	36%	0.355	S	S	.	.			trans	-126.7	141.9	178.5	-67.8	-177.2	-5.3	0	0	109.5	P338 L399	P338-Q340 PolarHBondContact O-N 2.88Å; Q340-L399 HydrophobicContact CB-CD2 3.99Å
341	Q	88.8	Confident	90	Very high	139 Å²	139	77.2 Å²	77.2	65%	0.65	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-76.6	127.7	176.8	-170	67.7	13.3	0	0	109.5
342	L	90.7	Very high	89.5	Confident	8 Å²	8	79.1 Å²	79.1	4%	0.042	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-103.5	150.8	169	-71.7	171.5	0	0	0	109.1	L324 L327 M331 H361 S362 L365 L399	L324-L342 HydrophobicContact CD1-CB 3.48Å; L324-L342 VanDerWaalsContact CD1-CB 3.48Å; L324-L342 HydrophobicContact CD1-CD1 3.86Å; L324-L342 HydrophobicContact CD1-CG 4.33Å; L327-L342 HydrophobicContact CB-CD1 4.24Å; L327-L342 HydrophobicContact CD1-CD1 3.75Å; M331-L342 HydrophobicContact CE-CD1 4.22Å; L342-H361 HydrophobicContact CD2-CB 3.74Å; L342-S362 WeakPolarHBondContact CD2-OG 3.5Å; L342-L365 HydrophobicContact CD1-CD2 4.27Å; L342-L399 HydrophobicContact CD1-CD2 4.45Å; L342-L399 HydrophobicContact CD2-CD2 4.03Å; L342-L399 HydrophobicContact CG-CD2 4.29Å
343	F	90.3	Very high	89.2	Confident	36 Å²	36	75.3 Å²	75.3	16%	0.158	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-92.2	144.3	178.5	-67.3	-65	0	0	0	110.7	Y320 E347 L348 M351 V358 S362	Y320-F343 WeakPolarHBondContact CE1-O 3.41Å; Y320-F343 PolarHBondContact OH-O 2.99Å; F343-E347 WeakPolarHBondContact CA-OE2 3.49Å; F343-E347 HydrophobicContact CB-CB 4.01Å; F343-E347 HydrophobicContact CD1-CB 4.06Å; F343-E347 HydrophobicContact CG-CB 4.38Å; F343-L348 HydrophobicContact CB-CD2 3.96Å; F343-L348 HydrophobicContact CB-CG 3.97Å; F343-L348 HydrophobicContact CD2-CD2 4.42Å; F343-M351 HydrophobicContact CD1-CE 3.94Å; F343-M351 HydrophobicContact CD2-CE 4.49Å; F343-M351 HydrophobicContact CE1-CE 3.66Å; F343-M351 HydrophobicContact CE2-CE 4.25Å; F343-M351 HydrophobicContact CE2-SD 4.44Å; F343-M351 HydrophobicContact CG-CE 4.35Å; F343-M351 HydrophobicContact CZ-CE 3.84Å; F343-V358 HydrophobicContact CE2-CB 4.16Å; F343-V358 HydrophobicContact CE2-CG2 4.23Å; F343-V358 WeakPolarHBondContact CE2-O 3.42Å; F343-S362 PolarHBondContact N-OG 3.13Å
344	T	88.7	Confident	88.9	Confident	56 Å²	56	76.5 Å²	76.5	34%	0.344	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-66.6	163.2	167.8	63.6	0	0	0	0	110.9	L324 Y346 E347 L348	L324-T344 HydrophobicContact CD2-CG2 4.41Å; T344-Y346 PolarHBondContact O-N 3.3Å; T344-E347 WeakPolarHBondContact CB-OE2 3.43Å; T344-E347 PolarHBondContact N-OE2 3.02Å; T344-E347 PolarHBondContact O-N 3.03Å; T344-E347 VanDerWaalsContact OG1-CG 3.32Å; T344-E347 WeakPolarHBondContact OG1-CG 3.3Å; T344-E347 PolarHBondContact OG1-N 3.35Å; T344-E347 PolarHBondContact OG1-OE2 3.08Å; T344-L348 WeakPolarHBondContact O-CG 3.29Å; T344-L348 PolarHBondContact O-N 3.37Å; T344-L348 VanDerWaalsContact O-N 3.07Å
345	M	84.8	Confident	88.4	Confident	18 Å²	18	78.3 Å²	78.3	9%	0.089	38%	0.377	C	S	.	.	H	α-helix	trans	-58.5	-36.1	175.2	-84	-65.6	-163.1	0	0	112.8	K317 Y320 L348 E349 R366	K317-M345 HydrophobicContact CG-CG 4.42Å; Y320-M345 VanDerWaalsContact CB-CE 3.41Å; Y320-M345 HydrophobicContact CD1-CE 4.19Å; Y320-M345 HydrophobicContact CD1-CG 3.55Å; Y320-M345 HydrophobicContact CD1-SD 4.27Å; Y320-M345 HydrophobicContact CD2-CE 3.68Å; Y320-M345 HydrophobicContact CD2-SD 4.4Å; Y320-M345 HydrophobicContact CE1-CG 4.1Å; Y320-M345 HydrophobicContact CE2-CE 4.46Å; Y320-M345 HydrophobicContact CG-CE 3.49Å; Y320-M345 VanDerWaalsContact CG-CE 3.49Å; Y320-M345 HydrophobicContact CG-CG 3.85Å; Y320-M345 HydrophobicContact CG-SD 4.13Å; M345-L348 PolarHBondContact O-N 2.86Å; M345-L348 HydrophobicContact SD-CD1 4.48Å; M345-E349 WeakPolarHBondContact O-CB 3.5Å; M345-E349 VanDerWaalsContact O-CG 3.32Å; M345-E349 WeakPolarHBondContact O-CG 3.32Å; M345-E349 PolarHBondContact O-N 3.45Å; M345-R366 HydrophobicContact CE-CB 4.42Å; M345-R366 HydrophobicContact CE-CG 3.89Å
346	Y	83.8	Confident	88.1	Confident	145 Å²	145	78.1 Å²	78.1	57%	0.569	38%	0.38	S	S	*	.	H	α-helix	trans	-66.5	-43.4	178.8	177.4	-98.4	0	0	0	112.3	T344 L348 E349 T350	T344-Y346 PolarHBondContact O-N 3.3Å; Y346-L348 VanDerWaalsContact C-N 3.33Å; Y346-L348 PolarHBondContact O-N 3.07Å; Y346-E349 PolarHBondContact O-N 3.28Å; Y346-T350 WeakPolarHBondContact O-CB 3.47Å; Y346-T350 PolarHBondContact O-N 3.34Å; Y346-T350 PolarHBondContact O-OG1 2.98Å
347	E	87	Confident	87.4	Confident	73 Å²	73	85.2 Å²	85.2	34%	0.341	42%	0.418	S	S	.	.	H	α-helix	trans	-63.3	-41.5	175.9	-70.9	165.2	136.8	0	0	111.1	F343 T344 T350 M351	F343-E347 WeakPolarHBondContact CA-OE2 3.49Å; F343-E347 HydrophobicContact CB-CB 4.01Å; F343-E347 HydrophobicContact CD1-CB 4.06Å; F343-E347 HydrophobicContact CG-CB 4.38Å; T344-E347 WeakPolarHBondContact CB-OE2 3.43Å; T344-E347 PolarHBondContact N-OE2 3.02Å; T344-E347 PolarHBondContact O-N 3.03Å; T344-E347 VanDerWaalsContact OG1-CG 3.32Å; T344-E347 WeakPolarHBondContact OG1-CG 3.3Å; T344-E347 PolarHBondContact OG1-N 3.35Å; T344-E347 PolarHBondContact OG1-OE2 3.08Å; E347-T350 PolarHBondContact O-N 3.23Å; E347-M351 VanDerWaalsContact O-CG 3.26Å; E347-M351 WeakPolarHBondContact O-CG 3.32Å; E347-M351 PolarHBondContact O-N 3.35Å
348	L	87.2	Confident	87	Confident	1 Å²	1	82.5 Å²	82.5	1%	0.005	42%	0.418	C	S	.	.	H	α-helix	trans	-63.8	-39.7	175.3	-70.2	178.2	0	0	0	113.1	Y320 F343 T344 M345 Y346 M351 G352 F353	Y320-L348 HydrophobicContact CE2-CD1 4.35Å; F343-L348 HydrophobicContact CB-CD2 3.96Å; F343-L348 HydrophobicContact CB-CG 3.97Å; F343-L348 HydrophobicContact CD2-CD2 4.42Å; T344-L348 WeakPolarHBondContact O-CG 3.29Å; T344-L348 PolarHBondContact O-N 3.37Å; T344-L348 VanDerWaalsContact O-N 3.07Å; M345-L348 PolarHBondContact O-N 2.86Å; M345-L348 HydrophobicContact SD-CD1 4.48Å; Y346-L348 VanDerWaalsContact C-N 3.33Å; Y346-L348 PolarHBondContact O-N 3.07Å; L348-M351 PolarHBondContact O-N 2.91Å; L348-G352 PolarHBondContact O-N 3.17Å; L348-F353 HydrophobicContact CB-CD1 3.94Å; L348-F353 HydrophobicContact CB-CE1 3.85Å; L348-F353 PolarHBondContact O-N 2.88Å
349	E	86.3	Confident	86.8	Confident	78 Å²	78	79.6 Å²	79.6	36%	0.364	40%	0.399	S	S	.	.	H	α-helix	trans	-63.7	-43.9	174.6	-79	173.6	177.5	0	0	111	K317 M345 Y346 M351 G352 F353	K317-E349 WeakPolarHBondContact CE-OE1 3.22Å; K317-E349 IonicContact NZ-OE1 3.83Å; K317-E349 PolarHBondContact NZ-OE1 3.35Å; K317-E349 IonicContact NZ-OE2 2.9Å; K317-E349 PolarHBondContact NZ-OE2 2.95Å; M345-E349 WeakPolarHBondContact O-CB 3.5Å; M345-E349 VanDerWaalsContact O-CG 3.32Å; M345-E349 WeakPolarHBondContact O-CG 3.32Å; M345-E349 PolarHBondContact O-N 3.45Å; Y346-E349 PolarHBondContact O-N 3.28Å; E349-M351 VanDerWaalsContact C-N 3.29Å; E349-M351 PolarHBondContact O-N 3.23Å; E349-G352 PolarHBondContact O-N 2.92Å; E349-F353 HydrophobicContact CB-CZ 4.34Å; E349-F353 HydrophobicContact CG-CE1 4.15Å; E349-F353 HydrophobicContact CG-CE2 4.16Å; E349-F353 HydrophobicContact CG-CZ 3.47Å; E349-F353 VanDerWaalsContact CG-CZ 3.47Å
350	T	85.9	Confident	86.8	Confident	97 Å²	97	73.1 Å²	73.1	60%	0.595	38%	0.376	S	S	*	.	H	α-helix	trans	-62.9	-37	177.9	-55.9	0	0	0	0	111.7	Y346 E347 G352	Y346-T350 WeakPolarHBondContact O-CB 3.47Å; Y346-T350 PolarHBondContact O-N 3.34Å; Y346-T350 PolarHBondContact O-OG1 2.98Å; E347-T350 PolarHBondContact O-N 3.23Å; T350-G352 PolarHBondContact O-N 3Å
351	M	84.6	Confident	86.9	Confident	79 Å²	79	71.4 Å²	71.4	39%	0.389	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	0.5	174.8	-66.3	176.8	-169	0	0	113.6	F343 E347 L348 E349 F353 V354	F343-M351 HydrophobicContact CD1-CE 3.94Å; F343-M351 HydrophobicContact CD2-CE 4.49Å; F343-M351 HydrophobicContact CE1-CE 3.66Å; F343-M351 HydrophobicContact CE2-CE 4.25Å; F343-M351 HydrophobicContact CE2-SD 4.44Å; F343-M351 HydrophobicContact CG-CE 4.35Å; F343-M351 HydrophobicContact CZ-CE 3.84Å; E347-M351 VanDerWaalsContact O-CG 3.26Å; E347-M351 WeakPolarHBondContact O-CG 3.32Å; E347-M351 PolarHBondContact O-N 3.35Å; L348-M351 PolarHBondContact O-N 2.91Å; E349-M351 VanDerWaalsContact C-N 3.29Å; E349-M351 PolarHBondContact O-N 3.23Å; M351-F353 PolarHBondContact O-N 3.2Å; M351-V354 VanDerWaalsContact O-CG2 3.32Å; M351-V354 WeakPolarHBondContact O-CG2 3.5Å; M351-V354 PolarHBondContact O-N 3.41Å
352	G	86.1	Confident	87.2	Confident	51 Å²	51	64.8 Å²	64.8	53%	0.526	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.9	25	-178	0	0	0	0	0	113.7	L348 E349 T350 V354	L348-G352 PolarHBondContact O-N 3.17Å; E349-G352 PolarHBondContact O-N 2.92Å; T350-G352 PolarHBondContact O-N 3Å; G352-V354 PolarHBondContact O-N 3.38Å
353	F	85.5	Confident	87.2	Confident	68 Å²	68	65.5 Å²	65.5	30%	0.298	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	27.6	-176.5	-52.2	-71.5	0	0	0	115.1	L348 E349 M351 R355 L363	L348-F353 HydrophobicContact CB-CD1 3.94Å; L348-F353 HydrophobicContact CB-CE1 3.85Å; L348-F353 PolarHBondContact O-N 2.88Å; E349-F353 HydrophobicContact CB-CZ 4.34Å; E349-F353 HydrophobicContact CG-CE1 4.15Å; E349-F353 HydrophobicContact CG-CE2 4.16Å; E349-F353 HydrophobicContact CG-CZ 3.47Å; E349-F353 VanDerWaalsContact CG-CZ 3.47Å; M351-F353 PolarHBondContact O-N 3.2Å; F353-R355 PolarHBondContact O-N 3.37Å; F353-L363 HydrophobicContact CB-CD2 4.24Å; F353-L363 HydrophobicContact CD1-CD2 4.26Å
354	V	86.7	Confident	87.5	Confident	96 Å²	96	66.3 Å²	66.3	58%	0.582	34%	0.344	S	S	*	.			trans	-64.4	130.8	177.6	176.8	0	0	0	0	110	M351 G352 S359	M351-V354 VanDerWaalsContact O-CG2 3.32Å; M351-V354 WeakPolarHBondContact O-CG2 3.5Å; M351-V354 PolarHBondContact O-N 3.41Å; G352-V354 PolarHBondContact O-N 3.38Å; V354-S359 PolarHBondContact O-OG 3.27Å
355	R	84.8	Confident	87.8	Confident	181 Å²	181	63.6 Å²	63.6	68%	0.683	33%	0.328	S	S	*	.			trans	-79.8	122.5	177	-168.6	175.8	-178.2	-175.4	-1.2	109.9	F353 E360 L363	F353-R355 PolarHBondContact O-N 3.37Å; R355-E360 IonicContact CZ-OE1 3.92Å; R355-E360 IonicContact NH2-OE1 3.96Å; R355-E360 PolarHBondContact NH2-OE1 3.21Å; R355-L363 HydrophobicContact CB-CD1 4Å; R355-L363 HydrophobicContact CG-CD1 4.14Å
356	S	86.4	Confident	88.2	Confident	47 Å²	47	66.3 Å²	66.3	33%	0.329	34%	0.337	S	S	.	.			trans	-144.2	169.4	176.8	64.5	0	0	0	0	108.7	V358 S359 E360	S356-V358 PolarHBondContact O-N 2.9Å; S356-V358 WeakPolarHBondContact OG-CG2 3.48Å; S356-S359 PolarHBondContact N-OG 3.03Å; S356-S359 PolarHBondContact O-N 2.98Å; S356-S359 VanDerWaalsContact O-N 3.17Å; S356-S359 PolarHBondContact O-OG 3.2Å; S356-S359 PolarHBondContact OG-N 2.81Å; S356-S359 PolarHBondContact OG-OG 3.31Å; S356-E360 WeakPolarHBondContact O-CB 3.48Å; S356-E360 PolarHBondContact O-N 3Å
357	D	81.3	Confident	88.8	Confident	151 Å²	151	64.2 Å²	64.2	81%	0.807	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-31.7	179	-61.4	-27.3	0	0	0	112.3
358	V	83.8	Confident	89.2	Confident	98 Å²	98	61.2 Å²	61.2	59%	0.594	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-32.9	178.4	-63.6	0	0	0	0	113	F343 S356	F343-V358 HydrophobicContact CE2-CB 4.16Å; F343-V358 HydrophobicContact CE2-CG2 4.23Å; F343-V358 WeakPolarHBondContact CE2-O 3.42Å; S356-V358 PolarHBondContact O-N 2.9Å; S356-V358 WeakPolarHBondContact OG-CG2 3.48Å
359	S	88.8	Confident	89.5	Confident	2 Å²	2	61.2 Å²	61.2	1%	0.014	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-11.7	-178.6	64	0	0	0	0	113.4	V354 S356 H361 S362 L363	V354-S359 PolarHBondContact O-OG 3.27Å; S356-S359 PolarHBondContact N-OG 3.03Å; S356-S359 PolarHBondContact O-N 2.98Å; S356-S359 VanDerWaalsContact O-N 3.17Å; S356-S359 PolarHBondContact O-OG 3.2Å; S356-S359 PolarHBondContact OG-N 2.81Å; S356-S359 PolarHBondContact OG-OG 3.31Å; S359-H361 PolarHBondContact O-N 3.38Å; S359-S362 PolarHBondContact O-N 3.43Å; S359-L363 WeakPolarHBondContact O-CB 3.5Å; S359-L363 VanDerWaalsContact O-CG 3.32Å; S359-L363 WeakPolarHBondContact O-CG 3.33Å; S359-L363 PolarHBondContact O-N 2.9Å
360	E	91.3	Very high	90	Very high	46 Å²	46	60.4 Å²	60.4	22%	0.215	32%	0.322	C	S	.	.	H	α-helix	trans	-58.6	-47.5	-172.2	-169.2	-175.2	-164.7	0	0	113.2	R355 S356 L363 K364	R355-E360 IonicContact CZ-OE1 3.92Å; R355-E360 IonicContact NH2-OE1 3.96Å; R355-E360 PolarHBondContact NH2-OE1 3.21Å; S356-E360 WeakPolarHBondContact O-CB 3.48Å; S356-E360 PolarHBondContact O-N 3Å; E360-L363 PolarHBondContact O-N 3.11Å; E360-K364 HydrophobicContact CG-CD 4.31Å; E360-K364 WeakPolarHBondContact O-CG 3.5Å; E360-K364 PolarHBondContact O-N 3.17Å; E360-K364 WeakPolarHBondContact OE1-CE 3.29Å; E360-K364 IonicContact OE1-NZ 3.11Å; E360-K364 PolarHBondContact OE1-NZ 3.08Å; E360-K364 IonicContact OE2-NZ 3.46Å; E360-K364 PolarHBondContact OE2-NZ 3.47Å
361	H	92.8	Very high	90.4	Very high	29 Å²	29	60 Å²	60	13%	0.134	31%	0.312	C	S	.	.	H	α-helix	trans	-64.6	-41.8	-179.4	-64.6	95.2	0	0	0	111.8	L342 S359 K364 L365 L399 L403	L342-H361 HydrophobicContact CD2-CB 3.74Å; S359-H361 PolarHBondContact O-N 3.38Å; H361-K364 PolarHBondContact O-N 2.99Å; H361-L365 WeakPolarHBondContact O-CB 3.32Å; H361-L365 PolarHBondContact O-N 3.31Å; H361-L399 HydrophobicContact CB-CD2 4.02Å; H361-L403 HydrophobicContact CB-CD1 4.09Å
362	S	93.9	Very high	90.9	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-65	-40	177	-54.6	0	0	0	0	111.6	Y320 L342 F343 S359 L365 R366	Y320-S362 WeakPolarHBondContact CE2-O 3.37Å; L342-S362 WeakPolarHBondContact CD2-OG 3.5Å; F343-S362 PolarHBondContact N-OG 3.13Å; S359-S362 PolarHBondContact O-N 3.43Å; S362-L365 PolarHBondContact O-N 3.19Å; S362-R366 PolarHBondContact O-N 2.97Å
363	L	92.7	Very high	91.2	Very high	24 Å²	24	59.4 Å²	59.4	13%	0.126	29%	0.293	C	S	.	.	H	α-helix	trans	-68.4	-39	174	-69.3	172.8	0	0	0	112.4	F353 R355 S359 E360 L365 R366 N367	F353-L363 HydrophobicContact CB-CD2 4.24Å; F353-L363 HydrophobicContact CD1-CD2 4.26Å; R355-L363 HydrophobicContact CB-CD1 4Å; R355-L363 HydrophobicContact CG-CD1 4.14Å; S359-L363 WeakPolarHBondContact O-CB 3.5Å; S359-L363 VanDerWaalsContact O-CG 3.32Å; S359-L363 WeakPolarHBondContact O-CG 3.33Å; S359-L363 PolarHBondContact O-N 2.9Å; E360-L363 PolarHBondContact O-N 3.11Å; L363-L365 VanDerWaalsContact C-N 3.34Å; L363-R366 WeakPolarHBondContact O-CB 3.3Å; L363-R366 PolarHBondContact O-N 3.43Å; L363-N367 PolarHBondContact O-N 3.38Å; L363-N367 PolarHBondContact O-ND2 3.11Å
364	K	94.5	Very high	91.4	Very high	52 Å²	52	58.9 Å²	58.9	23%	0.226	31%	0.307	C	S	.	.	H	α-helix	trans	-60.2	-45.3	172.1	-77.1	172.7	-177.1	161.9	0	110.6	E360 H361 R366 N367 I368 E400 L403	E360-K364 HydrophobicContact CG-CD 4.31Å; E360-K364 WeakPolarHBondContact O-CG 3.5Å; E360-K364 PolarHBondContact O-N 3.17Å; E360-K364 WeakPolarHBondContact OE1-CE 3.29Å; E360-K364 IonicContact OE1-NZ 3.11Å; E360-K364 PolarHBondContact OE1-NZ 3.08Å; E360-K364 IonicContact OE2-NZ 3.46Å; E360-K364 PolarHBondContact OE2-NZ 3.47Å; H361-K364 PolarHBondContact O-N 2.99Å; K364-R366 PolarHBondContact O-N 2.93Å; K364-N367 WeakPolarHBondContact O-CB 3.43Å; K364-N367 PolarHBondContact O-N 2.98Å; K364-I368 WeakPolarHBondContact O-CG1 3.48Å; K364-I368 PolarHBondContact O-N 3.05Å; K364-E400 IonicContact NZ-OE1 2.81Å; K364-L403 HydrophobicContact CB-CD1 4.22Å
365	L	95.6	Very high	91.7	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.8	-41.6	176.2	-179.8	64.3	0	0	0	112.1	Y320 Y323 L327 L342 H361 S362 L363 N367 I368 A369 L403	Y320-L365 HydrophobicContact CD2-CB 4.49Å; Y320-L365 HydrophobicContact CD2-CD2 4.08Å; Y320-L365 HydrophobicContact CD2-CG 3.91Å; Y320-L365 HydrophobicContact CE2-CB 3.91Å; Y320-L365 HydrophobicContact CE2-CD2 3.62Å; Y320-L365 HydrophobicContact CE2-CG 3.66Å; Y323-L365 HydrophobicContact CD2-CD1 3.97Å; Y323-L365 HydrophobicContact CG-CD1 4.09Å; L327-L365 HydrophobicContact CD1-CD1 3.84Å; L327-L365 HydrophobicContact CD1-CD2 3.89Å; L327-L365 HydrophobicContact CD1-CG 4.42Å; L342-L365 HydrophobicContact CD1-CD2 4.27Å; H361-L365 WeakPolarHBondContact O-CB 3.32Å; H361-L365 PolarHBondContact O-N 3.31Å; S362-L365 PolarHBondContact O-N 3.19Å; L363-L365 VanDerWaalsContact C-N 3.34Å; L365-N367 VanDerWaalsContact C-N 3.33Å; L365-N367 PolarHBondContact O-N 2.92Å; L365-I368 WeakPolarHBondContact O-CB 3.48Å; L365-I368 PolarHBondContact O-N 3.06Å; L365-A369 PolarHBondContact O-N 3.17Å; L365-L403 HydrophobicContact CB-CD2 4.19Å; L365-L403 HydrophobicContact CD1-CD2 4.03Å
366	R	94.6	Very high	92.1	Very high	75 Å²	75	47.3 Å²	47.3	28%	0.283	26%	0.258	S	S	.	.	H	α-helix	trans	-57.9	-44.7	173.3	178.5	-178.9	177.3	-155.9	4.2	111.8	Y320 M345 S362 L363 K364 I368 A369 V370	Y320-R366 HydrophobicContact CD2-CB 4.17Å; Y320-R366 HydrophobicContact CE2-CB 4.1Å; M345-R366 HydrophobicContact CE-CB 4.42Å; M345-R366 HydrophobicContact CE-CG 3.89Å; S362-R366 PolarHBondContact O-N 2.97Å; L363-R366 WeakPolarHBondContact O-CB 3.3Å; L363-R366 PolarHBondContact O-N 3.43Å; K364-R366 PolarHBondContact O-N 2.93Å; R366-I368 VanDerWaalsContact C-N 3.3Å; R366-I368 PolarHBondContact O-N 2.98Å; R366-A369 WeakPolarHBondContact O-CB 3.43Å; R366-A369 PolarHBondContact O-N 3.17Å; R366-A369 VanDerWaalsContact O-N 3.12Å; R366-V370 WeakPolarHBondContact O-CG2 3.49Å; R366-V370 PolarHBondContact O-N 2.89Å
367	N	94.5	Very high	92.3	Very high	101 Å²	101	46 Å²	46	54%	0.54	25%	0.251	S	S	.	.	H	α-helix	trans	-62.7	-38.2	177.5	-68.9	-23.7	0	0	0	112	L363 K364 L365 V370 K371	L363-N367 PolarHBondContact O-N 3.38Å; L363-N367 PolarHBondContact O-ND2 3.11Å; K364-N367 WeakPolarHBondContact O-CB 3.43Å; K364-N367 PolarHBondContact O-N 2.98Å; L365-N367 VanDerWaalsContact C-N 3.33Å; L365-N367 PolarHBondContact O-N 2.92Å; N367-V370 PolarHBondContact O-N 3.4Å; N367-K371 WeakPolarHBondContact O-CG 3.46Å; N367-K371 PolarHBondContact O-N 3.36Å
368	I	95.5	Very high	92.9	Very high	9 Å²	9	47.7 Å²	47.7	5%	0.046	25%	0.246	C	C	.	.	H	α-helix	trans	-63.5	-44.4	172.8	-61.8	167.3	0	0	0	109.9	Y323 K364 L365 R366 V370 K371 S372 L403 M406 C407 V410	Y323-I368 HydrophobicContact CD2-CG2 4.47Å; Y323-I368 HydrophobicContact CE2-CG2 3.88Å; K364-I368 WeakPolarHBondContact O-CG1 3.48Å; K364-I368 PolarHBondContact O-N 3.05Å; L365-I368 WeakPolarHBondContact O-CB 3.48Å; L365-I368 PolarHBondContact O-N 3.06Å; R366-I368 VanDerWaalsContact C-N 3.3Å; R366-I368 PolarHBondContact O-N 2.98Å; I368-V370 VanDerWaalsContact C-N 3.35Å; I368-V370 PolarHBondContact O-N 2.65Å; I368-K371 CarbonylContact O-C 3.56Å; I368-K371 WeakPolarHBondContact O-CB 3.35Å; I368-K371 PolarHBondContact O-N 3Å; I368-K371 VanDerWaalsContact O-N 3.15Å; I368-S372 WeakPolarHBondContact O-CB 3.47Å; I368-S372 PolarHBondContact O-N 3.37Å; I368-S372 PolarHBondContact O-OG 2.92Å; I368-L403 HydrophobicContact CD1-CB 4.27Å; I368-L403 HydrophobicContact CD1-CD2 4.07Å; I368-L403 VanDerWaalsContact CD1-O 3.32Å; I368-L403 WeakPolarHBondContact CD1-O 3.29Å; I368-M406 HydrophobicContact CD1-CB 4.22Å; I368-C407 HydrophobicContact CD1-CB 4.3Å; I368-C407 HydrophobicContact CG1-CB 4.16Å; I368-V410 HydrophobicContact CG2-CG2 3.97Å
369	A	95.3	Very high	93.3	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.008	22%	0.223	C	C	.	.	H	α-helix	trans	-59.6	-42.4	177.2	0	0	0	0	0	112.8	I319 Y320 Y323 L365 R366 S372 K373	I319-A369 HydrophobicContact CB-CB 4.19Å; I319-A369 HydrophobicContact CG2-CB 3.75Å; Y320-A369 HydrophobicContact CD2-CB 4.46Å; Y323-A369 HydrophobicContact CD2-CB 4.35Å; Y323-A369 HydrophobicContact CE2-CB 4.5Å; L365-A369 PolarHBondContact O-N 3.17Å; R366-A369 WeakPolarHBondContact O-CB 3.43Å; R366-A369 PolarHBondContact O-N 3.17Å; R366-A369 VanDerWaalsContact O-N 3.12Å; A369-S372 PolarHBondContact O-N 3.38Å; A369-S372 VanDerWaalsContact O-N 3.13Å; A369-K373 PolarHBondContact O-N 3.18Å
370	V	94.8	Very high	93.6	Very high	62 Å²	62	43.5 Å²	43.5	38%	0.376	22%	0.223	S	C	.	.	H	α-helix	trans	-62.8	-43.4	174.4	173.8	0	0	0	0	110.9	R366 N367 I368 S372 K373	R366-V370 WeakPolarHBondContact O-CG2 3.49Å; R366-V370 PolarHBondContact O-N 2.89Å; N367-V370 PolarHBondContact O-N 3.4Å; I368-V370 VanDerWaalsContact C-N 3.35Å; I368-V370 PolarHBondContact O-N 2.65Å; V370-S372 PolarHBondContact O-N 2.82Å; V370-K373 WeakPolarHBondContact O-CB 3.48Å; V370-K373 PolarHBondContact O-N 2.95Å
371	K	94.6	Very high	93.8	Very high	87 Å²	87	46 Å²	46	38%	0.378	23%	0.23	S	C	.	.	H	α-helix	trans	-64.6	-25.4	173.6	-78.3	-173.7	168.4	-159.5	0	113.2	N367 I368 K373 C407 V410 D411 R414	N367-K371 WeakPolarHBondContact O-CG 3.46Å; N367-K371 PolarHBondContact O-N 3.36Å; I368-K371 CarbonylContact O-C 3.56Å; I368-K371 WeakPolarHBondContact O-CB 3.35Å; I368-K371 PolarHBondContact O-N 3Å; I368-K371 VanDerWaalsContact O-N 3.15Å; K371-K373 VanDerWaalsContact C-N 3.31Å; K371-C407 PolarHBondContact NZ-SG 3.44Å; K371-C407 VanDerWaalsContact NZ-SG 3.39Å; K371-V410 HydrophobicContact CB-CG1 4.29Å; K371-D411 IonicContact NZ-OD1 3.92Å; K371-D411 PolarHBondContact NZ-OD1 3.21Å; K371-D411 IonicContact NZ-OD2 2.83Å; K371-R414 PolarHBondContact O-NE 2.94Å; K371-R414 PolarHBondContact O-NH1 3Å; K371-R414 PolarHBondContact O-NH2 3.06Å
372	S	94.8	Very high	93.9	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	5.2	-179	-64.6	0	0	0	0	113.9	Y323 I368 A369 V370 G374 L375 V410	Y323-S372 VanDerWaalsContact OH-CB 3.24Å; Y323-S372 WeakPolarHBondContact OH-CB 3.4Å; Y323-S372 PolarHBondContact OH-OG 3.43Å; I368-S372 WeakPolarHBondContact O-CB 3.47Å; I368-S372 PolarHBondContact O-N 3.37Å; I368-S372 PolarHBondContact O-OG 2.92Å; A369-S372 PolarHBondContact O-N 3.38Å; A369-S372 VanDerWaalsContact O-N 3.13Å; V370-S372 PolarHBondContact O-N 2.82Å; S372-G374 PolarHBondContact O-N 3.31Å; S372-L375 WeakPolarHBondContact O-CB 3.42Å; S372-L375 WeakPolarHBondContact O-CG 3.38Å; S372-L375 PolarHBondContact O-N 3.48Å; S372-V410 WeakPolarHBondContact OG-CG1 3.39Å; S372-V410 VanDerWaalsContact OG-CG2 3.24Å; S372-V410 WeakPolarHBondContact OG-CG2 3.4Å
373	K	94	Very high	94	Very high	118 Å²	118	50.1 Å²	50.1	51%	0.513	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	134.5	177.4	-171.2	175.4	-170	161.3	0	111.2	E316 A369 V370 K371 R414	E316-K373 HydrophobicContact CG-CD 4.38Å; E316-K373 IonicContact OE1-NZ 3.92Å; E316-K373 PolarHBondContact OE1-NZ 3.45Å; A369-K373 PolarHBondContact O-N 3.18Å; V370-K373 WeakPolarHBondContact O-CB 3.48Å; V370-K373 PolarHBondContact O-N 2.95Å; K371-K373 VanDerWaalsContact C-N 3.31Å; K373-R414 PolarHBondContact O-NH2 3.4Å
374	G	90	Very high	94.1	Very high	57 Å²	57	49.6 Å²	49.6	59%	0.588	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	96.3	-16.7	-179	0	0	0	0	0	114.6	S372	S372-G374 PolarHBondContact O-N 3.31Å
375	L	92.1	Very high	94.2	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.01	27%	0.266	C	S	.	.			trans	-71.9	146.5	176.9	-62.1	-179.5	0	0	0	111.8	S372 A379 L380 L383 Q413 E417	S372-L375 WeakPolarHBondContact O-CB 3.42Å; S372-L375 WeakPolarHBondContact O-CG 3.38Å; S372-L375 PolarHBondContact O-N 3.48Å; L375-A379 HydrophobicContact CB-CB 4.33Å; L375-L380 HydrophobicContact CB-CD2 3.86Å; L375-L380 HydrophobicContact CB-CG 4.03Å; L375-L380 HydrophobicContact CD1-CD2 4.09Å; L375-L383 HydrophobicContact CD1-CD1 3.87Å; L375-Q413 HydrophobicContact CD2-CG 4.2Å; L375-E417 WeakPolarHBondContact CD2-OE1 3.44Å; L375-E417 WeakPolarHBondContact CD2-OE2 3.48Å
376	S	92.6	Very high	94.1	Very high	33 Å²	33	55.8 Å²	55.8	23%	0.231	27%	0.274	C	S	.	.			trans	-71.1	154.7	174.1	69.4	0	0	0	0	111.8	R378 A379 L380	S376-R378 PolarHBondContact O-N 2.89Å; S376-A379 WeakPolarHBondContact O-CB 3.24Å; S376-A379 PolarHBondContact O-N 3.12Å; S376-A379 PolarHBondContact OG-N 3.41Å; S376-L380 WeakPolarHBondContact O-CG 3.45Å; S376-L380 PolarHBondContact O-N 3.18Å
377	G	91.8	Very high	94.2	Very high	18 Å²	18	52.2 Å²	52.2	19%	0.186	26%	0.261	C	S	.	.	H	α-helix	trans	-53.6	-38.1	174.6	0	0	0	0	0	113.1	G174 L380 R381	G174-G377 PolarHBondContact O-N 2.92Å; G174-G377 VanDerWaalsContact O-N 3.13Å; G377-L380 PolarHBondContact O-N 3.34Å; G377-R381 PolarHBondContact O-N 3.35Å
378	R	92.2	Very high	94.2	Very high	187 Å²	187	49.9 Å²	49.9	71%	0.706	25%	0.246	S	C	*	.	H	α-helix	trans	-60.2	-48.1	173.2	-174.9	-174.8	-67	179.8	-0.6	112.1	G174 S376 K382	G174-R378 PolarHBondContact O-N 3.46Å; S376-R378 PolarHBondContact O-N 2.89Å; R378-K382 WeakPolarHBondContact O-CB 3.42Å; R378-K382 PolarHBondContact O-N 3.15Å
379	A	93.3	Very high	94.2	Very high	13 Å²	13	51.3 Å²	51.3	11%	0.107	26%	0.26	C	S	.	.	H	α-helix	trans	-63.6	-42.9	177.4	0	0	0	0	0	111.2	L375 S376 R381 K382 L383	L375-A379 HydrophobicContact CB-CB 4.33Å; S376-A379 WeakPolarHBondContact O-CB 3.24Å; S376-A379 PolarHBondContact O-N 3.12Å; S376-A379 PolarHBondContact OG-N 3.41Å; A379-R381 PolarHBondContact O-N 3.01Å; A379-K382 WeakPolarHBondContact O-CB 3.24Å; A379-K382 PolarHBondContact O-N 2.98Å; A379-K382 VanDerWaalsContact O-N 3.08Å; A379-L383 WeakPolarHBondContact O-CG 3.43Å; A379-L383 PolarHBondContact O-N 2.85Å; A379-L383 VanDerWaalsContact O-N 3.11Å
380	L	95.1	Very high	94.1	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-59.2	-45.4	178.9	-67.2	169.9	0	0	0	112.8	P314 I319 I322 Y323 L375 S376 G377 K382 L383 P384	P314-L380 HydrophobicContact CG-CD1 3.36Å; I319-L380 HydrophobicContact CB-CD1 4.45Å; I319-L380 HydrophobicContact CG1-CD1 3.76Å; I319-L380 HydrophobicContact CG1-CD2 4.49Å; I319-L380 HydrophobicContact CG2-CD1 4.33Å; I319-L380 HydrophobicContact CG2-CD2 3.87Å; I322-L380 HydrophobicContact CD1-CD1 4.06Å; I322-L380 HydrophobicContact CG2-CB 4.25Å; Y323-L380 HydrophobicContact CE1-CD2 4.2Å; Y323-L380 VanDerWaalsContact OH-CD2 3.29Å; Y323-L380 WeakPolarHBondContact OH-CD2 3.37Å; L375-L380 HydrophobicContact CB-CD2 3.86Å; L375-L380 HydrophobicContact CB-CG 4.03Å; L375-L380 HydrophobicContact CD1-CD2 4.09Å; S376-L380 WeakPolarHBondContact O-CG 3.45Å; S376-L380 PolarHBondContact O-N 3.18Å; G377-L380 PolarHBondContact O-N 3.34Å; L380-K382 VanDerWaalsContact C-N 3.28Å; L380-K382 PolarHBondContact O-N 3.06Å; L380-L383 HydrophobicContact CD2-CD1 4.32Å; L380-L383 PolarHBondContact O-N 2.88Å; L380-P384 WeakPolarHBondContact O-CD 3.43Å
381	R	95.2	Very high	94.1	Very high	97 Å²	97	55.2 Å²	55.2	37%	0.366	27%	0.274	S	S	.	.	H	α-helix	trans	-72.3	-18.9	176.9	-70.1	-169.9	172.2	-71.4	-8.1	113.6	S130 I322 G377 A379	S130-R381 PolarHBondContact O-NH2 2.69Å; I322-R381 HydrophobicContact CG2-CG 3.91Å; G377-R381 PolarHBondContact O-N 3.35Å; A379-R381 PolarHBondContact O-N 3.01Å
382	K	94.9	Very high	94	Very high	117 Å²	117	52.1 Å²	52.1	51%	0.509	26%	0.262	S	S	.	.	H	α-helix	trans	-80.3	-27	174.2	-170.2	-177.4	177.7	-171.1	0	112.7	R378 A379 L380 F385 L386	R378-K382 WeakPolarHBondContact O-CB 3.42Å; R378-K382 PolarHBondContact O-N 3.15Å; A379-K382 WeakPolarHBondContact O-CB 3.24Å; A379-K382 PolarHBondContact O-N 2.98Å; A379-K382 VanDerWaalsContact O-N 3.08Å; L380-K382 VanDerWaalsContact C-N 3.28Å; L380-K382 PolarHBondContact O-N 3.06Å; K382-F385 WeakPolarHBondContact O-CB 3.33Å; K382-F385 PolarHBondContact O-N 3.44Å; K382-L386 HydrophobicContact CD-CD1 4.24Å; K382-L386 HydrophobicContact CG-CD1 4.12Å; K382-L386 HydrophobicContact CG-CG 4.17Å; K382-L386 PolarHBondContact O-N 3.13Å; K382-L386 VanDerWaalsContact O-N 3.11Å
383	L	95.5	Very high	93.8	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-58.6	-42.4	-175.3	-79.2	167.9	0	0	0	115	Y323 L375 A379 L380 F385 L386 A387 M406 A409 V410 Q413	Y323-L383 HydrophobicContact CE1-CB 4.48Å; Y323-L383 HydrophobicContact CE1-CD1 4.19Å; Y323-L383 WeakPolarHBondContact OH-CD1 3.5Å; L375-L383 HydrophobicContact CD1-CD1 3.87Å; A379-L383 WeakPolarHBondContact O-CG 3.43Å; A379-L383 PolarHBondContact O-N 2.85Å; A379-L383 VanDerWaalsContact O-N 3.11Å; L380-L383 HydrophobicContact CD2-CD1 4.32Å; L380-L383 PolarHBondContact O-N 2.88Å; L383-F385 VanDerWaalsContact C-N 3.25Å; L383-F385 PolarHBondContact O-N 3.24Å; L383-L386 PolarHBondContact O-N 3.41Å; L383-L386 VanDerWaalsContact O-N 3.14Å; L383-A387 WeakPolarHBondContact O-CB 3.39Å; L383-A387 PolarHBondContact O-N 2.84Å; L383-M406 HydrophobicContact CB-CE 4.25Å; L383-M406 HydrophobicContact CB-SD 4.34Å; L383-A409 HydrophobicContact CD2-CB 4.09Å; L383-V410 HydrophobicContact CD1-CG2 3.68Å; L383-V410 HydrophobicContact CD2-CG2 4.16Å; L383-Q413 HydrophobicContact CD2-CB 4.09Å; L383-Q413 HydrophobicContact CD2-CG 4.49Å
384	P	95.9	Very high	93.7	Very high	13 Å²	13	56.6 Å²	56.6	8%	0.084	29%	0.29	C	S	.	.	H	α-helix	trans	-56.5	-39.5	175.6	-26.5	34.8	0	0	0	113.2	C326 L330 L380 H388 F402 M406	C326-P384 HydrophobicContact CB-CG 3.81Å; L330-P384 HydrophobicContact CD1-CB 4.17Å; L380-P384 WeakPolarHBondContact O-CD 3.43Å; P384-H388 WeakPolarHBondContact O-CB 2.99Å; P384-H388 PolarHBondContact O-N 3.29Å; P384-F402 HydrophobicContact CB-CZ 4.19Å; P384-M406 VanDerWaalsContact CA-SD 3.51Å; P384-M406 HydrophobicContact CB-SD 4.23Å; P384-M406 HydrophobicContact CG-CE 4.08Å; P384-M406 HydrophobicContact CG-SD 4.11Å
385	F	95.9	Very high	93.6	Very high	150 Å²	150	59.5 Å²	59.5	66%	0.658	30%	0.298	S	S	*	.	H	α-helix	trans	-66.1	-46.9	175.1	176.4	-95.1	0	0	0	111.6	K382 L383 A387 H388 A389	K382-F385 WeakPolarHBondContact O-CB 3.33Å; K382-F385 PolarHBondContact O-N 3.44Å; L383-F385 VanDerWaalsContact C-N 3.25Å; L383-F385 PolarHBondContact O-N 3.24Å; F385-A387 VanDerWaalsContact C-N 3.34Å; F385-A387 PolarHBondContact O-N 3.15Å; F385-H388 PolarHBondContact O-N 3.42Å; F385-A389 HydrophobicContact CE1-CB 4.46Å; F385-A389 VanDerWaalsContact O-CB 3.3Å; F385-A389 WeakPolarHBondContact O-CB 3.44Å; F385-A389 PolarHBondContact O-N 2.98Å
386	L	94.7	Very high	93.6	Very high	32 Å²	32	62.8 Å²	62.8	17%	0.168	32%	0.322	C	S	.	.	H	α-helix	trans	-62.4	-40.7	177.4	-68.2	174.6	0	0	0	112.1	K382 L383 H388 A389 L390	K382-L386 HydrophobicContact CD-CD1 4.24Å; K382-L386 HydrophobicContact CG-CD1 4.12Å; K382-L386 HydrophobicContact CG-CG 4.17Å; K382-L386 PolarHBondContact O-N 3.13Å; K382-L386 VanDerWaalsContact O-N 3.11Å; L383-L386 PolarHBondContact O-N 3.41Å; L383-L386 VanDerWaalsContact O-N 3.14Å; L386-H388 VanDerWaalsContact C-N 3.33Å; L386-H388 PolarHBondContact O-N 3.44Å; L386-A389 PolarHBondContact O-N 3.42Å; L386-L390 HydrophobicContact CB-CD1 4.46Å; L386-L390 VanDerWaalsContact O-CB 3.24Å; L386-L390 WeakPolarHBondContact O-CB 3.45Å; L386-L390 VanDerWaalsContact O-CG 3.29Å; L386-L390 WeakPolarHBondContact O-CG 3.32Å; L386-L390 PolarHBondContact O-N 3.22Å
387	A	95.4	Very high	93.7	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-59.5	-46.7	176.2	0	0	0	0	0	111.2	L383 F385 F391 V392 F402 A405 M406 A409	L383-A387 WeakPolarHBondContact O-CB 3.39Å; L383-A387 PolarHBondContact O-N 2.84Å; F385-A387 VanDerWaalsContact C-N 3.34Å; F385-A387 PolarHBondContact O-N 3.15Å; A387-F391 PolarHBondContact O-N 3.3Å; A387-F391 VanDerWaalsContact O-N 3.1Å; A387-V392 PolarHBondContact O-N 3.43Å; A387-F402 HydrophobicContact CB-CZ 4.44Å; A387-A405 HydrophobicContact CB-CB 4.28Å; A387-M406 HydrophobicContact CB-CB 4.45Å; A387-M406 HydrophobicContact CB-CG 3.89Å; A387-M406 HydrophobicContact CB-SD 3.65Å; A387-A409 HydrophobicContact CB-CB 3.88Å
388	H	94.9	Very high	93.9	Very high	52 Å²	52	63.6 Å²	63.6	24%	0.241	32%	0.323	C	S	.	.	I	π-helix	trans	-64.8	-49.1	177.5	-168	-79.7	0	0	0	112.1	P384 F385 L386 L390 V392 Q393 T394 F402	P384-H388 WeakPolarHBondContact O-CB 2.99Å; P384-H388 PolarHBondContact O-N 3.29Å; F385-H388 PolarHBondContact O-N 3.42Å; L386-H388 VanDerWaalsContact C-N 3.33Å; L386-H388 PolarHBondContact O-N 3.44Å; H388-L390 PolarHBondContact O-N 2.88Å; H388-V392 PolarHBondContact O-N 3.48Å; H388-Q393 PolarHBondContact O-N 3.27Å; H388-T394 PolarHBondContact CE1-O 3.43Å; H388-T394 PolarHBondContact NE2-O 3.46Å; H388-F402 HydrophobicContact CB-CE2 4.23Å
389	A	95.1	Very high	94	Very high	39 Å²	39	54.7 Å²	54.7	32%	0.322	29%	0.29	S	S	.	.	I	π-helix	trans	-67.1	-35.8	-175.3	0	0	0	0	0	113.4	F385 L386 Q393	F385-A389 HydrophobicContact CE1-CB 4.46Å; F385-A389 VanDerWaalsContact O-CB 3.3Å; F385-A389 WeakPolarHBondContact O-CB 3.44Å; F385-A389 PolarHBondContact O-N 2.98Å; L386-A389 PolarHBondContact O-N 3.42Å; A389-Q393 VanDerWaalsContact O-CG 3.24Å; A389-Q393 WeakPolarHBondContact O-CG 3.34Å; A389-Q393 PolarHBondContact O-NE2 3Å
390	L	93.6	Very high	94	Very high	67 Å²	67	57.5 Å²	57.5	35%	0.351	30%	0.301	S	S	.	.	I	π-helix	trans	-94.8	-29.6	-173.8	-62.7	175.6	0	0	0	113.9	L386 H388 K412	L386-L390 HydrophobicContact CB-CD1 4.46Å; L386-L390 VanDerWaalsContact O-CB 3.24Å; L386-L390 WeakPolarHBondContact O-CB 3.45Å; L386-L390 VanDerWaalsContact O-CG 3.29Å; L386-L390 WeakPolarHBondContact O-CG 3.32Å; L386-L390 PolarHBondContact O-N 3.22Å; H388-L390 PolarHBondContact O-N 2.88Å; L390-K412 HydrophobicContact CD1-CD 3.75Å
391	F	94.8	Very high	94	Very high	78 Å²	78	60.2 Å²	60.2	34%	0.342	32%	0.32	S	S	.	.	I	π-helix	trans	-129	-14.4	-168.6	-52.6	-70.4	0	0	0	115.2	A387 A405 R408 A409	A387-F391 PolarHBondContact O-N 3.3Å; A387-F391 VanDerWaalsContact O-N 3.1Å; F391-A405 HydrophobicContact CB-CB 3.77Å; F391-A405 WeakPolarHBondContact CD2-O 3.24Å; F391-R408 HydrophobicContact CD1-CB 4.26Å; F391-R408 HydrophobicContact CD2-CB 4.06Å; F391-R408 HydrophobicContact CE1-CB 3.95Å; F391-R408 HydrophobicContact CE2-CB 3.76Å; F391-R408 HydrophobicContact CG-CB 4.31Å; F391-R408 HydrophobicContact CZ-CB 3.68Å; F391-A409 HydrophobicContact CD2-CB 4.36Å; F391-A409 HydrophobicContact CE2-CB 3.92Å
392	V	92.8	Very high	94	Very high	21 Å²	21	55.6 Å²	55.6	13%	0.127	30%	0.302	C	S	.	.	I	π-helix	trans	-103.8	-63.5	180	-179.5	0	0	0	0	110.6	A387 H388 T394 V397 F402 A405	A387-V392 PolarHBondContact O-N 3.43Å; H388-V392 PolarHBondContact O-N 3.48Å; V392-T394 WeakPolarHBondContact CG1-OG1 3.35Å; V392-T394 PolarHBondContact O-N 3.18Å; V392-V397 HydrophobicContact CG1-CB 3.65Å; V392-V397 HydrophobicContact CG1-CG1 3.94Å; V392-V397 HydrophobicContact CG1-CG2 3.81Å; V392-V397 HydrophobicContact CG2-CG2 4.33Å; V392-F402 HydrophobicContact CG2-CD2 4.06Å; V392-A405 HydrophobicContact CG2-CB 3.74Å
393	Q	90.6	Very high	94.1	Very high	147 Å²	147	50.2 Å²	50.2	69%	0.687	28%	0.279	S	S	*	.			trans	53	20.6	178.4	-59.1	-179.3	-10.2	0	0	115.3	H388 A389	H388-Q393 PolarHBondContact O-N 3.27Å; A389-Q393 VanDerWaalsContact O-CG 3.24Å; A389-Q393 WeakPolarHBondContact O-CG 3.34Å; A389-Q393 PolarHBondContact O-NE2 3Å
394	T	90.6	Very high	94.1	Very high	65 Å²	65	55.4 Å²	55.4	40%	0.399	30%	0.302	S	S	.	.	S	Bend	trans	-120.6	150.9	176.3	56.9	0	0	0	0	110.5	H388 V392 S396	H388-T394 PolarHBondContact CE1-O 3.43Å; H388-T394 PolarHBondContact NE2-O 3.46Å; V392-T394 WeakPolarHBondContact CG1-OG1 3.35Å; V392-T394 PolarHBondContact O-N 3.18Å; T394-S396 VanDerWaalsContact C-N 3.28Å; T394-S396 PolarHBondContact O-N 3.22Å; T394-S396 PolarHBondContact OG1-O 2.93Å
395	P	88.6	Confident	94.1	Very high	118 Å²	118	55.1 Å²	55.1	77%	0.766	30%	0.3	S	S	*	.	S	Bend	trans	-68.7	-25.3	-177	26.2	-34.7	0	0	0	113.7
396	S	92.1	Very high	94.1	Very high	72 Å²	72	48 Å²	48	50%	0.503	27%	0.269	S	S	.	.			trans	-133.5	148.2	172.9	60.2	0	0	0	0	110.7	I335 T394	I335-S396 WeakPolarHBondContact O-CA 3.45Å; T394-S396 VanDerWaalsContact C-N 3.28Å; T394-S396 PolarHBondContact O-N 3.22Å; T394-S396 PolarHBondContact OG1-O 2.93Å
397	V	95	Very high	94.2	Very high	19 Å²	19	48 Å²	48	12%	0.115	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-149.6	147.1	-178.9	64.2	0	0	0	0	110.8	I335 I336 Y337 V392 F402	I335-V397 PolarHBondContact O-N 2.98Å; I336-V397 VanDerWaalsContact CA-O 3.3Å; I336-V397 WeakPolarHBondContact CA-O 3.42Å; I336-V397 HydrophobicContact CG1-CG1 4.26Å; Y337-V397 PolarHBondContact N-O 2.81Å; V392-V397 HydrophobicContact CG1-CB 3.65Å; V392-V397 HydrophobicContact CG1-CG1 3.94Å; V392-V397 HydrophobicContact CG1-CG2 3.81Å; V392-V397 HydrophobicContact CG2-CG2 4.33Å; V397-F402 HydrophobicContact CG1-CB 4.08Å; V397-F402 HydrophobicContact CG1-CD2 3.8Å; V397-F402 HydrophobicContact CG1-CG 4.34Å; V397-F402 HydrophobicContact CG2-CB 4.45Å
398	S	95.3	Very high	94.2	Very high	48 Å²	48	55.3 Å²	55.3	34%	0.336	30%	0.298	S	S	.	.			trans	-72.7	152	173.5	67.3	0	0	0	0	111.4	E400 S401 F402	S398-E400 VanDerWaalsContact C-N 3.27Å; S398-E400 PolarHBondContact O-N 3.29Å; S398-S401 PolarHBondContact O-N 3.2Å; S398-S401 WeakPolarHBondContact OG-CB 3.33Å; S398-S401 PolarHBondContact OG-N 3.47Å; S398-S401 PolarHBondContact OG-OG 2.87Å; S398-F402 PolarHBondContact O-N 3.2Å
399	L	94.1	Very high	94.2	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-56.2	-42.2	178.2	179.2	59.3	0	0	0	112	L327 M331 I336 Q340 L342 H361 S401 F402 L403	L327-L399 HydrophobicContact CD1-CD1 4.29Å; L327-L399 HydrophobicContact CD2-CD1 4.27Å; M331-L399 HydrophobicContact CE-CD1 3.66Å; M331-L399 HydrophobicContact CE-CD2 3.64Å; M331-L399 HydrophobicContact CE-CG 4.13Å; I336-L399 HydrophobicContact CD1-CD1 4.44Å; I336-L399 HydrophobicContact CG2-CB 3.92Å; I336-L399 HydrophobicContact CG2-CD1 4.28Å; Q340-L399 HydrophobicContact CB-CD2 3.99Å; L342-L399 HydrophobicContact CD1-CD2 4.45Å; L342-L399 HydrophobicContact CD2-CD2 4.03Å; L342-L399 HydrophobicContact CG-CD2 4.29Å; H361-L399 HydrophobicContact CB-CD2 4.02Å; L399-S401 PolarHBondContact O-N 2.79Å; L399-F402 PolarHBondContact O-N 3.14Å; L399-L403 HydrophobicContact CD1-CD1 4.27Å; L399-L403 HydrophobicContact CD1-CD2 4.5Å; L399-L403 HydrophobicContact CD1-CG 4.07Å; L399-L403 HydrophobicContact CG-CD1 4.12Å; L399-L403 HydrophobicContact CG-CG 4.36Å; L399-L403 WeakPolarHBondContact O-CG 3.24Å; L399-L403 PolarHBondContact O-N 3.48Å
400	E	94.3	Very high	94.2	Very high	73 Å²	73	51 Å²	51	34%	0.341	27%	0.272	S	S	.	.	H	α-helix	trans	-61.2	-45.7	179.7	-163.1	-161.7	160.3	0	0	112.3	K364 S398 F402 L403 K404	K364-E400 IonicContact NZ-OE1 2.81Å; S398-E400 VanDerWaalsContact C-N 3.27Å; S398-E400 PolarHBondContact O-N 3.29Å; E400-F402 VanDerWaalsContact C-N 3.34Å; E400-L403 PolarHBondContact O-N 3.48Å; E400-K404 WeakPolarHBondContact O-CG 3.44Å; E400-K404 PolarHBondContact O-N 2.93Å; E400-K404 VanDerWaalsContact O-N 3.15Å; E400-K404 VanDerWaalsContact OE1-CE 3.25Å; E400-K404 WeakPolarHBondContact OE1-CE 3.33Å; E400-K404 IonicContact OE1-NZ 3.64Å; E400-K404 PolarHBondContact OE1-NZ 2.88Å
401	S	94.3	Very high	94.2	Very high	57 Å²	57	50.8 Å²	50.8	40%	0.399	27%	0.271	S	S	.	.	H	α-helix	trans	-66.2	-38.6	177.5	-68.2	0	0	0	0	111.4	S398 L399 K404 A405	S398-S401 PolarHBondContact O-N 3.2Å; S398-S401 WeakPolarHBondContact OG-CB 3.33Å; S398-S401 PolarHBondContact OG-N 3.47Å; S398-S401 PolarHBondContact OG-OG 2.87Å; L399-S401 PolarHBondContact O-N 2.79Å; S401-K404 PolarHBondContact O-N 3.45Å; S401-A405 PolarHBondContact O-N 3.42Å
402	F	96.5	Very high	94.1	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-66.4	-40.3	176.9	-166.5	-96.9	0	0	0	112.5	L327 L330 I336 P384 A387 H388 V392 V397 S398 L399 E400 K404 A405 M406	L327-F402 HydrophobicContact CD2-CD1 3.46Å; L327-F402 VanDerWaalsContact CD2-CD1 3.46Å; L327-F402 HydrophobicContact CD2-CE1 3.52Å; L330-F402 HydrophobicContact CD1-CE1 3.66Å; L330-F402 HydrophobicContact CD1-CE2 4.11Å; L330-F402 HydrophobicContact CD1-CZ 3.38Å; I336-F402 HydrophobicContact CD1-CB 4.2Å; I336-F402 HydrophobicContact CD1-CD1 3.59Å; I336-F402 HydrophobicContact CD1-CD2 4.39Å; I336-F402 HydrophobicContact CD1-CE1 4.03Å; I336-F402 HydrophobicContact CD1-CG 3.78Å; I336-F402 HydrophobicContact CG1-CB 4.38Å; I336-F402 HydrophobicContact CG1-CD1 4.43Å; I336-F402 HydrophobicContact CG1-CD2 4.42Å; I336-F402 HydrophobicContact CG1-CG 4.15Å; P384-F402 HydrophobicContact CB-CZ 4.19Å; A387-F402 HydrophobicContact CB-CZ 4.44Å; H388-F402 HydrophobicContact CB-CE2 4.23Å; V392-F402 HydrophobicContact CG2-CD2 4.06Å; V397-F402 HydrophobicContact CG1-CB 4.08Å; V397-F402 HydrophobicContact CG1-CD2 3.8Å; V397-F402 HydrophobicContact CG1-CG 4.34Å; V397-F402 HydrophobicContact CG2-CB 4.45Å; S398-F402 PolarHBondContact O-N 3.2Å; L399-F402 PolarHBondContact O-N 3.14Å; E400-F402 VanDerWaalsContact C-N 3.34Å; F402-K404 VanDerWaalsContact C-N 3.31Å; F402-K404 PolarHBondContact O-N 3Å; F402-A405 WeakPolarHBondContact O-CB 3.3Å; F402-A405 PolarHBondContact O-N 2.92Å; F402-M406 HydrophobicContact CD1-CG 3.83Å; F402-M406 HydrophobicContact CE1-CG 3.52Å; F402-M406 HydrophobicContact CE1-SD 4.06Å; F402-M406 HydrophobicContact CZ-CG 4.2Å; F402-M406 HydrophobicContact CZ-SD 4.4Å; F402-M406 WeakPolarHBondContact O-CB 3.5Å; F402-M406 WeakPolarHBondContact O-CG 3.21Å; F402-M406 PolarHBondContact O-N 2.9Å
403	L	96.1	Very high	94	Very high	4 Å²	4	51.1 Å²	51.1	2%	0.021	27%	0.271	C	S	.	.	H	α-helix	trans	-62.9	-37.3	174.4	-70.8	173.9	0	0	0	111.9	L327 H361 K364 L365 I368 L399 E400 M406 C407	L327-L403 HydrophobicContact CD1-CD2 3.95Å; H361-L403 HydrophobicContact CB-CD1 4.09Å; K364-L403 HydrophobicContact CB-CD1 4.22Å; L365-L403 HydrophobicContact CB-CD2 4.19Å; L365-L403 HydrophobicContact CD1-CD2 4.03Å; I368-L403 HydrophobicContact CD1-CB 4.27Å; I368-L403 HydrophobicContact CD1-CD2 4.07Å; I368-L403 VanDerWaalsContact CD1-O 3.32Å; I368-L403 WeakPolarHBondContact CD1-O 3.29Å; L399-L403 HydrophobicContact CD1-CD1 4.27Å; L399-L403 HydrophobicContact CD1-CD2 4.5Å; L399-L403 HydrophobicContact CD1-CG 4.07Å; L399-L403 HydrophobicContact CG-CD1 4.12Å; L399-L403 HydrophobicContact CG-CG 4.36Å; L399-L403 WeakPolarHBondContact O-CG 3.24Å; L399-L403 PolarHBondContact O-N 3.48Å; E400-L403 PolarHBondContact O-N 3.48Å; L403-M406 PolarHBondContact O-N 3.28Å; L403-C407 PolarHBondContact O-N 3.1Å
404	K	95.8	Very high	94	Very high	109 Å²	109	49.2 Å²	49.2	47%	0.474	26%	0.258	S	S	.	.	H	α-helix	trans	-64	-44.1	172.9	-70.2	171.3	-172.9	165.6	0	111.4	E400 S401 F402 C407 R408	E400-K404 WeakPolarHBondContact O-CG 3.44Å; E400-K404 PolarHBondContact O-N 2.93Å; E400-K404 VanDerWaalsContact O-N 3.15Å; E400-K404 VanDerWaalsContact OE1-CE 3.25Å; E400-K404 WeakPolarHBondContact OE1-CE 3.33Å; E400-K404 IonicContact OE1-NZ 3.64Å; E400-K404 PolarHBondContact OE1-NZ 2.88Å; S401-K404 PolarHBondContact O-N 3.45Å; F402-K404 VanDerWaalsContact C-N 3.31Å; F402-K404 PolarHBondContact O-N 3Å; K404-C407 PolarHBondContact O-N 2.71Å; K404-R408 WeakPolarHBondContact O-CG 3.5Å; K404-R408 PolarHBondContact O-N 3.49Å; K404-R408 VanDerWaalsContact O-N 3.16Å
405	A	95.8	Very high	93.9	Very high	6 Å²	6	52 Å²	52	5%	0.05	27%	0.266	C	S	.	.	H	α-helix	trans	-61.3	-43.4	174.8	0	0	0	0	0	112.1	A387 F391 V392 S401 F402 C407 R408 A409	A387-A405 HydrophobicContact CB-CB 4.28Å; F391-A405 HydrophobicContact CB-CB 3.77Å; F391-A405 WeakPolarHBondContact CD2-O 3.24Å; V392-A405 HydrophobicContact CG2-CB 3.74Å; S401-A405 PolarHBondContact O-N 3.42Å; F402-A405 WeakPolarHBondContact O-CB 3.3Å; F402-A405 PolarHBondContact O-N 2.92Å; A405-C407 PolarHBondContact O-N 3.25Å; A405-R408 PolarHBondContact O-N 3.37Å; A405-A409 PolarHBondContact O-N 2.83Å
406	M	96	Very high	93.9	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.01	25%	0.249	C	C	.	.	H	α-helix	trans	-59.5	-44.9	175.1	-81.6	-73.2	-72.9	0	0	112.1	Y323 I368 L383 P384 A387 F402 L403 R408 A409 V410	Y323-M406 HydrophobicContact CD1-CE 3.66Å; Y323-M406 HydrophobicContact CE1-CE 3.56Å; Y323-M406 HydrophobicContact CG-CE 4.28Å; I368-M406 HydrophobicContact CD1-CB 4.22Å; L383-M406 HydrophobicContact CB-CE 4.25Å; L383-M406 HydrophobicContact CB-SD 4.34Å; P384-M406 VanDerWaalsContact CA-SD 3.51Å; P384-M406 HydrophobicContact CB-SD 4.23Å; P384-M406 HydrophobicContact CG-CE 4.08Å; P384-M406 HydrophobicContact CG-SD 4.11Å; A387-M406 HydrophobicContact CB-CB 4.45Å; A387-M406 HydrophobicContact CB-CG 3.89Å; A387-M406 HydrophobicContact CB-SD 3.65Å; F402-M406 HydrophobicContact CD1-CG 3.83Å; F402-M406 HydrophobicContact CE1-CG 3.52Å; F402-M406 HydrophobicContact CE1-SD 4.06Å; F402-M406 HydrophobicContact CZ-CG 4.2Å; F402-M406 HydrophobicContact CZ-SD 4.4Å; F402-M406 WeakPolarHBondContact O-CB 3.5Å; F402-M406 WeakPolarHBondContact O-CG 3.21Å; F402-M406 PolarHBondContact O-N 2.9Å; L403-M406 PolarHBondContact O-N 3.28Å; M406-R408 VanDerWaalsContact C-N 3.34Å; M406-R408 PolarHBondContact O-N 2.84Å; M406-A409 PolarHBondContact O-N 3.25Å; M406-V410 WeakPolarHBondContact O-CG2 3.49Å; M406-V410 PolarHBondContact O-N 2.99Å
407	C	95.9	Very high	93.4	Very high	30 Å²	30	50.2 Å²	50.2	20%	0.203	24%	0.24	C	C	.	.	H	α-helix	trans	-58.7	-45.8	175.9	-172.5	0	0	0	0	111.5	I368 K371 L403 K404 A405 A409 V410 D411	I368-C407 HydrophobicContact CD1-CB 4.3Å; I368-C407 HydrophobicContact CG1-CB 4.16Å; K371-C407 PolarHBondContact NZ-SG 3.44Å; K371-C407 VanDerWaalsContact NZ-SG 3.39Å; L403-C407 PolarHBondContact O-N 3.1Å; K404-C407 PolarHBondContact O-N 2.71Å; A405-C407 PolarHBondContact O-N 3.25Å; C407-A409 VanDerWaalsContact C-N 3.32Å; C407-A409 PolarHBondContact O-N 3.16Å; C407-V410 PolarHBondContact O-N 3.43Å; C407-D411 VanDerWaalsContact O-CG 3.31Å; C407-D411 PolarHBondContact O-N 3.03Å
408	R	95.4	Very high	92.9	Very high	154 Å²	154	51.1 Å²	51.1	58%	0.581	25%	0.249	S	C	*	.	H	α-helix	trans	-64.5	-35.9	177.7	-67.5	177.7	-179.2	-178.1	-0.5	112.6	F391 K404 A405 M406 D411 K412	F391-R408 HydrophobicContact CD1-CB 4.26Å; F391-R408 HydrophobicContact CD2-CB 4.06Å; F391-R408 HydrophobicContact CE1-CB 3.95Å; F391-R408 HydrophobicContact CE2-CB 3.76Å; F391-R408 HydrophobicContact CG-CB 4.31Å; F391-R408 HydrophobicContact CZ-CB 3.68Å; K404-R408 WeakPolarHBondContact O-CG 3.5Å; K404-R408 PolarHBondContact O-N 3.49Å; K404-R408 VanDerWaalsContact O-N 3.16Å; A405-R408 PolarHBondContact O-N 3.37Å; M406-R408 VanDerWaalsContact C-N 3.34Å; M406-R408 PolarHBondContact O-N 2.84Å; R408-D411 PolarHBondContact O-N 3.26Å; R408-K412 WeakPolarHBondContact O-CB 3.25Å; R408-K412 PolarHBondContact O-N 3.06Å
409	A	95.3	Very high	92.4	Very high	2 Å²	2	54.2 Å²	54.2	2%	0.017	26%	0.262	C	S	.	.	H	α-helix	trans	-66.4	-38.5	176.1	0	0	0	0	0	112.3	L383 A387 F391 A405 M406 C407 Q413	L383-A409 HydrophobicContact CD2-CB 4.09Å; A387-A409 HydrophobicContact CB-CB 3.88Å; F391-A409 HydrophobicContact CD2-CB 4.36Å; F391-A409 HydrophobicContact CE2-CB 3.92Å; A405-A409 PolarHBondContact O-N 2.83Å; M406-A409 PolarHBondContact O-N 3.25Å; C407-A409 VanDerWaalsContact C-N 3.32Å; C407-A409 PolarHBondContact O-N 3.16Å; A409-Q413 WeakPolarHBondContact O-CB 3.49Å; A409-Q413 PolarHBondContact O-N 3.46Å
410	V	95.1	Very high	91.7	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-64.1	-46	173.9	172.1	0	0	0	0	111	I368 K371 S372 L383 M406 C407 K412 Q413 R414	I368-V410 HydrophobicContact CG2-CG2 3.97Å; K371-V410 HydrophobicContact CB-CG1 4.29Å; S372-V410 WeakPolarHBondContact OG-CG1 3.39Å; S372-V410 VanDerWaalsContact OG-CG2 3.24Å; S372-V410 WeakPolarHBondContact OG-CG2 3.4Å; L383-V410 HydrophobicContact CD1-CG2 3.68Å; L383-V410 HydrophobicContact CD2-CG2 4.16Å; M406-V410 WeakPolarHBondContact O-CG2 3.49Å; M406-V410 PolarHBondContact O-N 2.99Å; C407-V410 PolarHBondContact O-N 3.43Å; V410-K412 VanDerWaalsContact C-N 3.34Å; V410-K412 PolarHBondContact O-N 3.27Å; V410-Q413 PolarHBondContact O-N 3.44Å; V410-R414 PolarHBondContact O-N 3.34Å
411	D	94.2	Very high	90.8	Very high	61 Å²	61	63.2 Å²	63.2	33%	0.326	31%	0.31	S	S	.	.	H	α-helix	trans	-59.7	-46.3	178.9	-63.4	-34.3	0	0	0	110	K371 C407 R408 Q413 R414 E415	K371-D411 IonicContact NZ-OD1 3.92Å; K371-D411 PolarHBondContact NZ-OD1 3.21Å; K371-D411 IonicContact NZ-OD2 2.83Å; C407-D411 VanDerWaalsContact O-CG 3.31Å; C407-D411 PolarHBondContact O-N 3.03Å; R408-D411 PolarHBondContact O-N 3.26Å; D411-Q413 PolarHBondContact O-N 3.36Å; D411-R414 PolarHBondContact O-N 2.92Å; D411-E415 WeakPolarHBondContact O-CG 3.3Å; D411-E415 PolarHBondContact O-N 3.38Å
412	K	92.9	Very high	89.6	Confident	75 Å²	75	66.7 Å²	66.7	33%	0.326	33%	0.325	S	S	.	.	H	α-helix	trans	-62	-43.6	175.5	-171.5	-179.5	179.5	-176.9	0	113.5	L390 R408 V410 R414 E415 E416	L390-K412 HydrophobicContact CD1-CD 3.75Å; R408-K412 WeakPolarHBondContact O-CB 3.25Å; R408-K412 PolarHBondContact O-N 3.06Å; V410-K412 VanDerWaalsContact C-N 3.34Å; V410-K412 PolarHBondContact O-N 3.27Å; K412-R414 VanDerWaalsContact C-N 3.26Å; K412-R414 PolarHBondContact O-N 3Å; K412-E415 WeakPolarHBondContact O-CB 3.49Å; K412-E415 PolarHBondContact O-N 3.46Å; K412-E416 WeakPolarHBondContact CE-OE1 3.49Å; K412-E416 WeakPolarHBondContact O-CG 3.49Å; K412-E416 PolarHBondContact O-N 3.29Å
413	Q	91.4	Very high	87.5	Confident	31 Å²	31	69.8 Å²	69.8	15%	0.145	36%	0.356	C	S	.	.	H	α-helix	trans	-60.6	-38.4	177.9	-179.6	66.1	33.5	0	0	111.4	L375 L383 A409 V410 D411 E416 E417	L375-Q413 HydrophobicContact CD2-CG 4.2Å; L383-Q413 HydrophobicContact CD2-CB 4.09Å; L383-Q413 HydrophobicContact CD2-CG 4.49Å; A409-Q413 WeakPolarHBondContact O-CB 3.49Å; A409-Q413 PolarHBondContact O-N 3.46Å; V410-Q413 PolarHBondContact O-N 3.44Å; D411-Q413 PolarHBondContact O-N 3.36Å; Q413-E416 PolarHBondContact O-N 3.11Å; Q413-E417 PolarHBondContact NE2-OE1 3.35Å; Q413-E417 WeakPolarHBondContact O-CG 3.44Å; Q413-E417 PolarHBondContact O-N 3.21Å
414	R	88.7	Confident	85	Confident	107 Å²	107	78.6 Å²	78.6	40%	0.404	41%	0.41	S	S	.	.	H	α-helix	trans	-70.2	-38	175.9	-78.3	-173.2	156.8	-162.8	-3.2	112.8	K371 K373 V410 D411 K412 E416 E417 A418	K371-R414 PolarHBondContact O-NE 2.94Å; K371-R414 PolarHBondContact O-NH1 3Å; K371-R414 PolarHBondContact O-NH2 3.06Å; K373-R414 PolarHBondContact O-NH2 3.4Å; V410-R414 PolarHBondContact O-N 3.34Å; D411-R414 PolarHBondContact O-N 2.92Å; K412-R414 VanDerWaalsContact C-N 3.26Å; K412-R414 PolarHBondContact O-N 3Å; R414-E416 VanDerWaalsContact C-N 3.34Å; R414-E417 PolarHBondContact O-N 2.92Å; R414-A418 VanDerWaalsContact O-CB 3.3Å; R414-A418 WeakPolarHBondContact O-CB 3.2Å; R414-A418 PolarHBondContact O-N 3.45Å
415	E	89.4	Confident	84.5	Confident	124 Å²	124	77.1 Å²	77.1	58%	0.579	41%	0.407	S	S	*	.	H	α-helix	trans	-61.2	-43.8	172.5	-72.2	171.7	-174.6	0	0	111.2	D411 K412 A418 N419	D411-E415 WeakPolarHBondContact O-CG 3.3Å; D411-E415 PolarHBondContact O-N 3.38Å; K412-E415 WeakPolarHBondContact O-CB 3.49Å; K412-E415 PolarHBondContact O-N 3.46Å; E415-A418 PolarHBondContact O-N 2.89Å; E415-N419 WeakPolarHBondContact O-CB 3.3Å; E415-N419 PolarHBondContact O-N 3.46Å; E415-N419 PolarHBondContact O-ND2 2.89Å
416	E	88.1	Confident	83.9	Confident	85 Å²	85	80.8 Å²	80.8	40%	0.397	43%	0.426	S	S	.	.	H	α-helix	trans	-62.8	-44.5	176.2	-72	176.1	-173.1	0	0	112.1	K412 Q413 R414 N419 L420	K412-E416 WeakPolarHBondContact CE-OE1 3.49Å; K412-E416 WeakPolarHBondContact O-CG 3.49Å; K412-E416 PolarHBondContact O-N 3.29Å; Q413-E416 PolarHBondContact O-N 3.11Å; R414-E416 VanDerWaalsContact C-N 3.34Å; E416-N419 PolarHBondContact O-N 3.39Å; E416-L420 WeakPolarHBondContact O-CG 3.37Å; E416-L420 PolarHBondContact O-N 3Å
417	E	83.1	Confident	83.2	Confident	68 Å²	68	85.2 Å²	85.2	32%	0.318	45%	0.449	S	S	.	.	H	α-helix	trans	-63.5	-41.5	174.8	-77	179.2	-179.2	0	0	112.2	L375 Q413 R414 L420 I421	L375-E417 WeakPolarHBondContact CD2-OE1 3.44Å; L375-E417 WeakPolarHBondContact CD2-OE2 3.48Å; Q413-E417 PolarHBondContact NE2-OE1 3.35Å; Q413-E417 WeakPolarHBondContact O-CG 3.44Å; Q413-E417 PolarHBondContact O-N 3.21Å; R414-E417 PolarHBondContact O-N 2.92Å; E417-L420 PolarHBondContact O-N 3.49Å; E417-I421 WeakPolarHBondContact O-CD1 3.43Å; E417-I421 VanDerWaalsContact O-CG1 3.3Å; E417-I421 WeakPolarHBondContact O-CG1 3.38Å; E417-I421 PolarHBondContact O-N 2.88Å; E417-I421 VanDerWaalsContact O-N 3.11Å
418	A	83.1	Confident	82.5	Confident	38 Å²	38	88.4 Å²	88.4	31%	0.314	46%	0.463	S	S	.	.	H	α-helix	trans	-65.3	-39.1	176.7	0	0	0	0	0	112.1	R414 E415 L420 I421 N422	R414-A418 VanDerWaalsContact O-CB 3.3Å; R414-A418 WeakPolarHBondContact O-CB 3.2Å; R414-A418 PolarHBondContact O-N 3.45Å; E415-A418 PolarHBondContact O-N 2.89Å; A418-L420 VanDerWaalsContact C-N 3.34Å; A418-I421 PolarHBondContact O-N 3.23Å; A418-N422 VanDerWaalsContact O-CB 3.32Å; A418-N422 WeakPolarHBondContact O-CB 3.43Å; A418-N422 VanDerWaalsContact O-CG 3.27Å; A418-N422 PolarHBondContact O-N 2.95Å; A418-N422 PolarHBondContact O-ND2 3.28Å
419	N	84.6	Confident	81.7	Confident	113 Å²	113	84.3 Å²	84.3	60%	0.604	46%	0.456	S	S	*	.	H	α-helix	trans	-66.4	-35.4	176.6	-71.7	-20.9	0	0	0	112.1	E415 E416 G423	E415-N419 WeakPolarHBondContact O-CB 3.3Å; E415-N419 PolarHBondContact O-N 3.46Å; E415-N419 PolarHBondContact O-ND2 2.89Å; E416-N419 PolarHBondContact O-N 3.39Å; N419-G423 WeakPolarHBondContact O-CA 3.32Å; N419-G423 PolarHBondContact O-N 3.24Å
420	L	80.6	Confident	80.8	Confident	132 Å²	132	89.8 Å²	89.8	69%	0.691	49%	0.485	S	S	*	.	H	α-helix	trans	-67.6	-35.3	174	-77.7	159.4	0	0	0	112.4	E416 E417 A418	E416-L420 WeakPolarHBondContact O-CG 3.37Å; E416-L420 PolarHBondContact O-N 3Å; E417-L420 PolarHBondContact O-N 3.49Å; A418-L420 VanDerWaalsContact C-N 3.34Å
421	I	74.8	Confident	79.8	Confident	129 Å²	129	96.2 Å²	96.2	66%	0.662	52%	0.52	S	S	*	.	H	α-helix	trans	-76.5	-40.3	178.7	-65.2	164.2	0	0	0	111.3	E417 A418	E417-I421 WeakPolarHBondContact O-CD1 3.43Å; E417-I421 VanDerWaalsContact O-CG1 3.3Å; E417-I421 WeakPolarHBondContact O-CG1 3.38Å; E417-I421 PolarHBondContact O-N 2.88Å; E417-I421 VanDerWaalsContact O-N 3.11Å; A418-I421 PolarHBondContact O-N 3.23Å
422	N	68.6	Low	78.6	Confident	130 Å²	130	98.9 Å²	98.9	70%	0.695	54%	0.535	S	S	*	.	H	α-helix	trans	-86.7	-9.1	-177.3	-64.6	-28.2	0	0	0	113.7	A418 V424	A418-N422 VanDerWaalsContact O-CB 3.32Å; A418-N422 WeakPolarHBondContact O-CB 3.43Å; A418-N422 VanDerWaalsContact O-CG 3.27Å; A418-N422 PolarHBondContact O-N 2.95Å; A418-N422 PolarHBondContact O-ND2 3.28Å; N422-V424 VanDerWaalsContact C-N 3.33Å
423	G	52.7	Low	77.5	Confident	65 Å²	65	100.9 Å²	100.9	67%	0.67	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	16.9	-179.8	0	0	0	0	0	115	N419	N419-G423 WeakPolarHBondContact O-CA 3.32Å; N419-G423 PolarHBondContact O-N 3.24Å
424	V	44.5	Very low	76.2	Confident	189 Å²	189	107.3 Å²	107.3	100%	1.145	59%	0.589	S	S	*	*			trans	-105.4	0	174.9	-179.8	0	0	0	0	110.7	N422	N422-V424 VanDerWaalsContact C-N 3.33Å

Retrieved 424 of 424 residues in 99.8 ms (Link to these results)

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