A0A087YAB3_POEFO Loading...

Otoraplin

AlphaFold DB , UniProt , Accession A0A087YAB3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 141 aa.

						>A0A087YAB3_POEFO|A0A087YAB3
MSPLVSLLLVGLLHQTTMAVRMDKLADRKMCGDAECSYVLSMATAVDDFIAPDCRFINIKKGQMVYVYSKLIPPDGAGVFWYGSVYSQRYVDQMGRTGYFPATVVKETRTFTDNTVRKQTTVSVCLSFKYFLFVFVNILCL
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	53.3	Low	58.9	Low	243 Å²	243	107.2 Å²	107.2	100%	1.197	62%	0.621	S	S	*	*				0	114.9	0	-73.6	150.6	102.4	0	0	107.2
2	S	63	Low	58.6	Low	62 Å²	62	110.7 Å²	110.7	43%	0.434	63%	0.634	S	S	.	*			trans	-71.1	142.9	-171.4	46.1	0	0	0	0	111.3	L4 V5	S2-L4 PolarHBondContact O-N 3.09Å; S2-L4 VanDerWaalsContact O-N 3.1Å; S2-V5 PolarHBondContact O-N 3.44Å; S2-V5 WeakPolarHBondContact OG-CG2 3.21Å
3	P	59	Low	57.6	Low	101 Å²	101	112.6 Å²	112.6	66%	0.656	64%	0.64	S	S	*	*	H	α-helix	trans	-60.4	-23.4	-179.3	24	-33.4	0	0	0	112.8	S6 L7	P3-S6 PolarHBondContact O-N 2.84Å; P3-L7 PolarHBondContact O-N 2.74Å; P3-L7 VanDerWaalsContact O-N 3.11Å
4	L	60	Low	57	Low	124 Å²	124	116.1 Å²	116.1	65%	0.649	65%	0.648	S	S	*	*	H	α-helix	trans	-61.2	-37.4	171.5	-93.9	149.6	0	0	0	113.6	S2 L8	S2-L4 PolarHBondContact O-N 3.09Å; S2-L4 VanDerWaalsContact O-N 3.1Å; L4-L8 PolarHBondContact O-N 2.85Å; L4-L8 VanDerWaalsContact O-N 3.13Å
5	V	64.1	Low	56.6	Low	79 Å²	79	119.5 Å²	119.5	48%	0.479	66%	0.657	S	S	.	*	H	α-helix	trans	-72.1	-35	178.6	174.1	0	0	0	0	110.7	S2 L8 L9	S2-V5 PolarHBondContact O-N 3.44Å; S2-V5 WeakPolarHBondContact OG-CG2 3.21Å; V5-L8 PolarHBondContact O-N 3.36Å; V5-L9 HydrophobicContact CG1-CD1 4.15Å; V5-L9 PolarHBondContact O-N 2.8Å; V5-L9 VanDerWaalsContact O-N 3.15Å
6	S	59.3	Low	56.2	Low	75 Å²	75	119.8 Å²	119.8	52%	0.524	66%	0.663	S	S	.	*	H	α-helix	trans	-66.8	-41.7	175.6	-161.8	0	0	0	0	111.9	P3 L8 L9 V10	P3-S6 PolarHBondContact O-N 2.84Å; S6-L8 PolarHBondContact O-N 2.78Å; S6-L9 PolarHBondContact O-N 3.35Å; S6-V10 WeakPolarHBondContact O-CG2 3.29Å; S6-V10 PolarHBondContact O-N 2.83Å; S6-V10 VanDerWaalsContact O-N 3.14Å
7	L	59.6	Low	56	Low	129 Å²	129	119.6 Å²	119.6	68%	0.675	67%	0.667	S	S	*	*	H	α-helix	trans	-64.3	-37.6	175.4	-83.6	157.2	0	0	0	112.9	P3 V10 G11	P3-L7 PolarHBondContact O-N 2.74Å; P3-L7 VanDerWaalsContact O-N 3.11Å; L7-V10 PolarHBondContact O-N 2.81Å; L7-G11 PolarHBondContact O-N 3.03Å; L7-G11 VanDerWaalsContact O-N 3.09Å
8	L	57.8	Low	55.8	Low	114 Å²	114	122.3 Å²	122.3	60%	0.597	68%	0.675	S	S	*	*	H	α-helix	trans	-65.3	-38.1	174.9	-106.8	130	0	0	0	112.6	L4 V5 S6 G11 L12	L4-L8 PolarHBondContact O-N 2.85Å; L4-L8 VanDerWaalsContact O-N 3.13Å; V5-L8 PolarHBondContact O-N 3.36Å; S6-L8 PolarHBondContact O-N 2.78Å; L8-G11 PolarHBondContact O-N 3.35Å; L8-L12 WeakPolarHBondContact O-CD1 3.46Å; L8-L12 PolarHBondContact O-N 3.39Å
9	L	56.2	Low	56	Low	115 Å²	115	120.8 Å²	120.8	60%	0.602	68%	0.681	S	S	*	*	H	α-helix	trans	-69	-36.4	177.2	-81.9	157.2	0	0	0	112.9	V5 S6	V5-L9 HydrophobicContact CG1-CD1 4.15Å; V5-L9 PolarHBondContact O-N 2.8Å; V5-L9 VanDerWaalsContact O-N 3.15Å; S6-L9 PolarHBondContact O-N 3.35Å
10	V	58.1	Low	56.1	Low	93 Å²	93	120.9 Å²	120.9	56%	0.564	68%	0.684	S	S	*	*	H	α-helix	trans	-71.8	-31.6	175.4	178	0	0	0	0	111.6	S6 L7 L13	S6-V10 WeakPolarHBondContact O-CG2 3.29Å; S6-V10 PolarHBondContact O-N 2.83Å; S6-V10 VanDerWaalsContact O-N 3.14Å; L7-V10 PolarHBondContact O-N 2.81Å; V10-L13 PolarHBondContact O-N 2.83Å
11	G	57.9	Low	56.6	Low	44 Å²	44	124.6 Å²	124.6	45%	0.454	69%	0.687	S	S	.	*	H	α-helix	trans	-64.9	-35.6	174.5	0	0	0	0	0	114	L7 L8 L13 H14	L7-G11 PolarHBondContact O-N 3.03Å; L7-G11 VanDerWaalsContact O-N 3.09Å; L8-G11 PolarHBondContact O-N 3.35Å; G11-L13 VanDerWaalsContact C-N 3.29Å; G11-L13 PolarHBondContact O-N 2.95Å; G11-H14 PolarHBondContact O-N 2.86Å
12	L	54.7	Low	57.4	Low	149 Å²	149	117.8 Å²	117.8	78%	0.78	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-12.7	177.2	-95.7	96.9	0	0	0	114.4	L8 H14	L8-L12 WeakPolarHBondContact O-CD1 3.46Å; L8-L12 PolarHBondContact O-N 3.39Å; L12-H14 VanDerWaalsContact C-N 3.3Å
13	L	46.3	Very low	58.2	Low	136 Å²	136	120.6 Å²	120.6	71%	0.712	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	9.4	175.7	-82.7	156.7	0	0	0	113.1	V10 G11 Q15	V10-L13 PolarHBondContact O-N 2.83Å; G11-L13 VanDerWaalsContact C-N 3.29Å; G11-L13 PolarHBondContact O-N 2.95Å; L13-Q15 VanDerWaalsContact C-N 3.26Å; L13-Q15 PolarHBondContact O-N 3.12Å
14	H	49.1	Very low	59.3	Low	161 Å²	161	119.6 Å²	119.6	75%	0.745	65%	0.649	S	S	*	*			trans	-65.9	93.1	168.4	-94.5	74.8	0	0	0	109.5	G11 L12 T16	G11-H14 PolarHBondContact O-N 2.86Å; L12-H14 VanDerWaalsContact C-N 3.3Å; H14-T16 PolarHBondContact O-N 2.81Å; H14-T16 VanDerWaalsContact O-N 3.15Å
15	Q	51	Low	60.5	Low	167 Å²	167	115.8 Å²	115.8	78%	0.78	63%	0.629	S	S	*	*			trans	-41.9	114	-179.7	-65.8	166.7	0.2	0	0	110.8	L13 T17	L13-Q15 VanDerWaalsContact C-N 3.26Å; L13-Q15 PolarHBondContact O-N 3.12Å; Q15-T17 PolarHBondContact O-N 2.94Å
16	T	49.2	Very low	61.6	Low	125 Å²	125	112.2 Å²	112.2	77%	0.767	61%	0.608	S	S	*	*			trans	-65	88.4	158.8	46.5	0	0	0	0	107.1	H14 M18	H14-T16 PolarHBondContact O-N 2.81Å; H14-T16 VanDerWaalsContact O-N 3.15Å; T16-M18 VanDerWaalsContact C-N 3.34Å; T16-M18 PolarHBondContact O-N 2.76Å
17	T	54.1	Low	63	Low	117 Å²	117	113.9 Å²	113.9	72%	0.718	61%	0.611	S	S	*	*			trans	-66	102.2	167	48.8	0	0	0	0	106.7	Q15 A19	Q15-T17 PolarHBondContact O-N 2.94Å; T17-A19 PolarHBondContact O-N 3.38Å
18	M	52.8	Low	64.5	Low	167 Å²	167	113.6 Å²	113.6	82%	0.823	60%	0.601	S	S	*	*			trans	-67.8	90.3	171.1	-65.6	-65.8	-77.8	0	0	107.1	T16 V20	T16-M18 VanDerWaalsContact C-N 3.34Å; T16-M18 PolarHBondContact O-N 2.76Å; M18-V20 PolarHBondContact O-N 3.22Å; M18-V20 VanDerWaalsContact O-N 3.13Å
19	A	58.5	Low	66.1	Low	95 Å²	95	110.1 Å²	110.1	79%	0.785	58%	0.581	S	S	*	*			trans	-67.9	108.9	172.1	0	0	0	0	0	108.1	T17 R21	T17-A19 PolarHBondContact O-N 3.38Å; A19-R21 PolarHBondContact O-N 3.07Å
20	V	58.2	Low	67.8	Low	122 Å²	122	107.4 Å²	107.4	74%	0.739	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-71.2	116.6	171.9	179.7	0	0	0	0	107.7	M18 M22	M18-V20 PolarHBondContact O-N 3.22Å; M18-V20 VanDerWaalsContact O-N 3.13Å; V20-M22 PolarHBondContact O-N 2.89Å
21	R	66.9	Low	69.3	Low	198 Å²	198	103 Å²	103	75%	0.747	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-71.8	116.4	174.9	179.6	176.6	169.9	127.5	-5.6	108.7	A19	A19-R21 PolarHBondContact O-N 3.07Å
22	M	70.9	Confident	70.7	Confident	101 Å²	101	101.5 Å²	101.5	50%	0.498	52%	0.524	S	S	.	.	P	Polyproline II helix	trans	-84.1	127.6	171.4	-64.1	-64.9	-74.3	0	0	109.4	V20	V20-M22 PolarHBondContact O-N 2.89Å
23	D	78.6	Confident	72.3	Confident	121 Å²	121	95.7 Å²	95.7	65%	0.647	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-71	150.3	176.5	-68.1	-44.1	0	0	0	111.9	R55	D23-R55 PolarHBondContact O-NH1 2.83Å
24	K	82	Confident	74.2	Confident	80 Å²	80	92.2 Å²	92.2	35%	0.348	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-65.1	140.9	174.9	-60.8	179.9	-171.8	173	0	109.1	A26 D27 T120 V122	K24-A26 PolarHBondContact O-N 2.91Å; K24-D27 IonicContact NZ-OD1 3.75Å; K24-T120 HydrophobicContact CD-CG2 4.46Å; K24-T120 WeakPolarHBondContact CE-O 3.42Å; K24-T120 PolarHBondContact NZ-O 2.82Å; K24-V122 HydrophobicContact CD-CG2 4.11Å; K24-V122 HydrophobicContact CG-CG2 3.96Å
25	L	84.5	Confident	75.9	Confident	43 Å²	43	92.6 Å²	92.6	23%	0.225	49%	0.487	C	S	.	.	S	Bend	trans	-66.6	-28.4	171.3	-66.8	174.7	0	0	0	112.1	F56 L71 Y99	L25-F56 HydrophobicContact CD1-CE1 4.18Å; L25-F56 HydrophobicContact CD1-CZ 4Å; L25-F56 HydrophobicContact CD2-CZ 4.03Å; L25-L71 HydrophobicContact CB-CD1 3.53Å; L25-L71 HydrophobicContact CD1-CD1 4.25Å; L25-Y99 HydrophobicContact CD1-CD1 4.01Å; L25-Y99 HydrophobicContact CD1-CD2 3.57Å; L25-Y99 HydrophobicContact CD1-CE1 4.45Å; L25-Y99 HydrophobicContact CD1-CE2 4.06Å; L25-Y99 HydrophobicContact CD1-CG 3.55Å
26	A	88.4	Confident	77.5	Confident	4 Å²	4	85.9 Å²	85.9	3%	0.033	46%	0.458	C	S	.	.			trans	-159.7	150	174.8	0	0	0	0	0	110.8	K24 L71 I72 T120	K24-A26 PolarHBondContact O-N 2.91Å; A26-L71 HydrophobicContact CB-CB 3.81Å; A26-L71 HydrophobicContact CB-CD1 4.03Å; A26-L71 HydrophobicContact CB-CD2 4.42Å; A26-L71 HydrophobicContact CB-CG 4.32Å; A26-I72 VanDerWaalsContact CB-O 3.28Å; A26-I72 WeakPolarHBondContact CB-O 3.29Å; A26-T120 WeakPolarHBondContact O-CB 3.37Å; A26-T120 PolarHBondContact O-OG1 3.47Å
27	D	88.9	Confident	79.2	Confident	111 Å²	111	83 Å²	83	59%	0.594	44%	0.443	S	S	*	.	S	Bend	trans	-78	-20.7	174.5	-77.7	-43.1	0	0	0	113.8	K24 Q119 T120	K24-D27 IonicContact NZ-OD1 3.75Å; D27-Q119 CarbonylContact O-C 3.59Å; D27-Q119 WeakPolarHBondContact O-CA 3.32Å; D27-T120 PolarHBondContact O-N 2.71Å
28	R	89.9	Confident	80.7	Confident	122 Å²	122	84.9 Å²	84.9	46%	0.46	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	147	-176.6	-52	-176.5	86	157.7	1.6	111	I72 R117 K118	R28-I72 HydrophobicContact CB-CB 4.21Å; R28-I72 HydrophobicContact CB-CD1 4.04Å; R28-I72 HydrophobicContact CB-CG1 4.46Å; R28-I72 PolarHBondContact O-N 3.48Å; R28-R117 HydrophobicContact CB-CG 4.47Å; R28-R117 VanDerWaalsContact CZ-CD 3.47Å; R28-R117 VanDerWaalsContact NE-CD 3.33Å; R28-K118 CarbonylContact C-O 3.53Å; R28-K118 VanDerWaalsContact CA-O 3.31Å; R28-K118 WeakPolarHBondContact CA-O 3.43Å
29	K	91.3	Very high	82.5	Confident	41 Å²	41	78.8 Å²	78.8	18%	0.178	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	155.3	175.7	63.6	178.8	-178.9	170.6	0	111.2	C36 K70 L71 R117 K118	K29-C36 VanDerWaalsContact CE-SG 3.55Å; K29-K70 CarbonylContact C-O 3.42Å; K29-K70 WeakPolarHBondContact CA-O 3.23Å; K29-L71 HydrophobicContact CB-CD2 3.71Å; K29-R117 WeakPolarHBondContact O-CA 3.2Å; K29-K118 HydrophobicContact CG-CB 4.44Å; K29-K118 PolarHBondContact N-O 2.51Å; K29-K118 PolarHBondContact O-N 3.31Å
30	M	91.8	Very high	84.1	Confident	59 Å²	59	74.5 Å²	74.5	29%	0.291	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	129.6	171.1	-64.7	-175.5	-76.2	0	0	109.3	S69 K70 I72 V116	M30-S69 CarbonylContact O-C 3.54Å; M30-S69 WeakPolarHBondContact O-CA 3.34Å; M30-S69 VanDerWaalsContact O-CB 3.29Å; M30-S69 WeakPolarHBondContact O-CB 3.41Å; M30-K70 HydrophobicContact CE-CB 4.35Å; M30-K70 PolarHBondContact N-O 3.06Å; M30-K70 PolarHBondContact O-N 2.8Å; M30-I72 HydrophobicContact CE-CG1 4.12Å; M30-I72 HydrophobicContact CG-CD1 3.81Å; M30-I72 HydrophobicContact CG-CG1 3.98Å; M30-I72 HydrophobicContact SD-CD1 4.35Å; M30-I72 HydrophobicContact SD-CG1 4.46Å; M30-V116 WeakPolarHBondContact CA-O 3.39Å
31	C	91	Very high	85.8	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	163.1	-179.5	-60.6	0	0	0	0	110.9	D33 C36 T115 V116	C31-D33 VanDerWaalsContact C-N 3.29Å; C31-D33 WeakPolarHBondContact CB-O 3.46Å; C31-D33 PolarHBondContact O-N 2.88Å; C31-C36 HydrophobicContact CB-CB 3.65Å; C31-C36 WeakPolarHBondContact CB-SG 3.35Å; C31-C36 WeakPolarHBondContact SG-CB 3.48Å; C31-C36 CovalentContact SG-SG 2.03Å; C31-C36 PolarHBondContact SG-SG 3.43Å; C31-T115 CarbonylContact O-C 3.58Å; C31-T115 VanDerWaalsContact O-CA 3.3Å; C31-T115 WeakPolarHBondContact O-CA 3.06Å; C31-V116 HydrophobicContact CB-CG2 4.4Å; C31-V116 PolarHBondContact N-O 2.96Å; C31-V116 PolarHBondContact O-N 3.34Å
32	G	87.5	Confident	87.1	Confident	13 Å²	13	60.3 Å²	60.3	13%	0.134	31%	0.309	C	S	.	.	S	Bend	trans	-74.2	-16.2	175.9	0	0	0	0	0	114.6
33	D	87.3	Confident	88.3	Confident	26 Å²	26	55.5 Å²	55.5	14%	0.139	29%	0.285	C	S	.	.	S	Bend	trans	-154.9	170.5	-177.3	66.2	-69.4	0	0	0	111.2	C31 E35 C36 S37 Y38 V116	C31-D33 VanDerWaalsContact C-N 3.29Å; C31-D33 WeakPolarHBondContact CB-O 3.46Å; C31-D33 PolarHBondContact O-N 2.88Å; D33-E35 PolarHBondContact O-N 2.79Å; D33-E35 WeakPolarHBondContact OD2-CA 3.45Å; D33-E35 WeakPolarHBondContact OD2-CB 3.27Å; D33-E35 PolarHBondContact OD2-N 2.98Å; D33-C36 PolarHBondContact O-N 3.38Å; D33-C36 WeakPolarHBondContact OD1-CA 3.44Å; D33-C36 PolarHBondContact OD1-N 3.28Å; D33-C36 PolarHBondContact OD2-N 2.77Å; D33-S37 PolarHBondContact OD1-N 3.46Å; D33-S37 PolarHBondContact OD2-N 3.33Å; D33-S37 VanDerWaalsContact OD2-N 3.15Å; D33-S37 PolarHBondContact OD2-OG 3.33Å; D33-Y38 HydrophobicContact CB-CD2 3.94Å; D33-Y38 PolarHBondContact OD1-N 2.79Å; D33-V116 WeakPolarHBondContact O-CG2 3.4Å
34	A	86.1	Confident	89.2	Confident	64 Å²	64	51.9 Å²	51.9	53%	0.529	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-25.5	-176.5	0	0	0	0	0	113.9	K118	A34-K118 WeakPolarHBondContact O-CE 3.44Å
35	E	84.8	Confident	89.9	Confident	168 Å²	168	48.2 Å²	48.2	79%	0.785	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	-4	-179.5	-56.5	-170.3	133.8	0	0	112.3	D33 S37	D33-E35 PolarHBondContact O-N 2.79Å; D33-E35 WeakPolarHBondContact OD2-CA 3.45Å; D33-E35 WeakPolarHBondContact OD2-CB 3.27Å; D33-E35 PolarHBondContact OD2-N 2.98Å; E35-S37 PolarHBondContact O-N 3.46Å
36	C	85.6	Confident	90.6	Very high	26 Å²	26	49.3 Å²	49.3	18%	0.176	26%	0.26	C	S	.	.			trans	53.3	34.2	-173.7	-52.5	0	0	0	0	112.8	K29 C31 D33	K29-C36 VanDerWaalsContact CE-SG 3.55Å; C31-C36 HydrophobicContact CB-CB 3.65Å; C31-C36 WeakPolarHBondContact CB-SG 3.35Å; C31-C36 WeakPolarHBondContact SG-CB 3.48Å; C31-C36 CovalentContact SG-SG 2.03Å; C31-C36 PolarHBondContact SG-SG 3.43Å; D33-C36 PolarHBondContact O-N 3.38Å; D33-C36 WeakPolarHBondContact OD1-CA 3.44Å; D33-C36 PolarHBondContact OD1-N 3.28Å; D33-C36 PolarHBondContact OD2-N 2.77Å
37	S	84.4	Confident	91	Very high	65 Å²	65	53.6 Å²	53.6	46%	0.455	28%	0.282	S	S	.	.			trans	-86.4	-23.2	-174.2	59.7	0	0	0	0	112.9	D33 E35	D33-S37 PolarHBondContact OD1-N 3.46Å; D33-S37 PolarHBondContact OD2-N 3.33Å; D33-S37 VanDerWaalsContact OD2-N 3.15Å; D33-S37 PolarHBondContact OD2-OG 3.33Å; E35-S37 PolarHBondContact O-N 3.46Å
38	Y	85.8	Confident	91.4	Very high	156 Å²	156	51.6 Å²	51.6	61%	0.612	27%	0.271	S	S	*	.	S	Bend	trans	-100.6	150.1	-177.1	-64.1	-76.5	0	0	0	113.1	D33 L40	D33-Y38 HydrophobicContact CB-CD2 3.94Å; D33-Y38 PolarHBondContact OD1-N 2.79Å; Y38-L40 PolarHBondContact O-N 2.81Å
39	V	89.9	Confident	91.7	Very high	40 Å²	40	47.4 Å²	47.4	24%	0.242	26%	0.257	C	S	.	.			trans	-66.5	127.7	171	-175.9	0	0	0	0	108.9	S41 Y66 Y68 F111	V39-S41 VanDerWaalsContact CG1-O 3.27Å; V39-S41 WeakPolarHBondContact CG1-O 3.25Å; V39-Y66 HydrophobicContact CG1-CD1 3.88Å; V39-Y66 HydrophobicContact CG1-CG 4.29Å; V39-Y68 HydrophobicContact CB-CD1 4.47Å; V39-Y68 HydrophobicContact CG2-CD1 3.88Å; V39-Y68 HydrophobicContact CG2-CE1 3.51Å; V39-F111 HydrophobicContact CB-CD2 4.24Å; V39-F111 HydrophobicContact CG1-CD2 3.75Å; V39-F111 HydrophobicContact CG1-CE2 3.78Å
40	L	92.4	Very high	91.9	Very high	4 Å²	4	51.7 Å²	51.7	2%	0.021	28%	0.28	C	S	.	.			trans	-78.8	-46.4	177.3	-174.2	68.9	0	0	0	111	Y38 V67 K70 F111 T112 T115	Y38-L40 PolarHBondContact O-N 2.81Å; L40-V67 WeakPolarHBondContact CB-O 3.2Å; L40-V67 PolarHBondContact N-O 2.88Å; L40-K70 HydrophobicContact CD2-CD 3.83Å; L40-K70 HydrophobicContact CD2-CG 3.88Å; L40-F111 PolarHBondContact O-N 2.8Å; L40-T112 HydrophobicContact CD1-CG2 4.31Å; L40-T112 PolarHBondContact O-N 3.48Å; L40-T115 HydrophobicContact CD1-CG2 3.85Å
41	S	94.1	Very high	92	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	168.3	-177.1	60.5	0	0	0	0	112.6	V39 V67 E107 R109	V39-S41 VanDerWaalsContact CG1-O 3.27Å; V39-S41 WeakPolarHBondContact CG1-O 3.25Å; S41-V67 PolarHBondContact N-O 2.89Å; S41-V67 PolarHBondContact O-N 2.8Å; S41-V67 WeakPolarHBondContact OG-CB 3.43Å; S41-E107 WeakPolarHBondContact CB-OE1 3.41Å; S41-E107 PolarHBondContact OG-OE1 2.94Å; S41-R109 CarbonylContact C-O 3.58Å; S41-R109 VanDerWaalsContact CA-O 3.23Å; S41-R109 WeakPolarHBondContact CA-O 3.14Å; S41-R109 WeakPolarHBondContact CB-O 3.29Å
42	M	94.7	Very high	91.9	Very high	23 Å²	23	54.8 Å²	54.8	11%	0.113	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	139.4	170.1	-172.1	174.3	67	0	0	108.7	M64 V65 Y66 T108 R109 F111	M42-M64 HydrophobicContact SD-SD 4.35Å; M42-V65 WeakPolarHBondContact CA-O 3.2Å; M42-Y66 HydrophobicContact CB-CD1 4.32Å; M42-Y66 HydrophobicContact CB-CE1 4.44Å; M42-Y66 HydrophobicContact CG-CD1 4.26Å; M42-Y66 HydrophobicContact CG-CE1 4.19Å; M42-Y66 HydrophobicContact SD-CE1 4.05Å; M42-T108 PolarHBondContact O-N 3.49Å; M42-T108 PolarHBondContact O-OG1 2.87Å; M42-T108 VanDerWaalsContact O-OG1 3.09Å; M42-R109 HydrophobicContact CB-CB 4.37Å; M42-R109 HydrophobicContact CE-CB 4.28Å; M42-R109 HydrophobicContact CE-CG 3.91Å; M42-R109 PolarHBondContact N-O 3.15Å; M42-R109 PolarHBondContact O-N 2.95Å; M42-R109 VanDerWaalsContact O-N 3.12Å; M42-F111 HydrophobicContact CB-CE2 3.87Å; M42-F111 HydrophobicContact CB-CZ 4.05Å
43	A	96.2	Very high	91.8	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	156.5	178.7	0	0	0	0	0	110.7	M64 V65 V67 V105 K106	A43-M64 CarbonylContact O-C 3.58Å; A43-M64 WeakPolarHBondContact O-CA 3.15Å; A43-V65 PolarHBondContact N-O 2.83Å; A43-V65 PolarHBondContact O-N 2.89Å; A43-V67 HydrophobicContact CB-CG2 4.22Å; A43-V105 HydrophobicContact CB-CB 3.85Å; A43-V105 HydrophobicContact CB-CG2 3.93Å; A43-K106 CarbonylContact C-O 3.54Å; A43-K106 VanDerWaalsContact CA-O 3.27Å; A43-K106 WeakPolarHBondContact CA-O 3.06Å; A43-K106 WeakPolarHBondContact CB-O 3.38Å
44	T	97	Very high	91.8	Very high	45 Å²	45	60.1 Å²	60.1	28%	0.276	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	130.4	172.5	-59.4	0	0	0	0	108.9	V46 Q63 V105 K106 T108	T44-V46 PolarHBondContact O-N 3.13Å; T44-Q63 WeakPolarHBondContact CA-O 3.45Å; T44-V105 CarbonylContact O-C 3.53Å; T44-V105 WeakPolarHBondContact O-CA 2.99Å; T44-K106 PolarHBondContact N-O 2.83Å; T44-K106 PolarHBondContact O-N 2.8Å; T44-T108 VanDerWaalsContact OG1-CG2 3.32Å; T44-T108 WeakPolarHBondContact OG1-CG2 3.37Å
45	A	96.9	Very high	91.8	Very high	3 Å²	3	60.4 Å²	60.4	3%	0.025	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	124.6	176.3	0	0	0	0	0	110.9	I59 K60 G62 Q63 V104	A45-I59 HydrophobicContact CB-CG2 3.31Å; A45-K60 WeakPolarHBondContact CB-O 3.47Å; A45-G62 PolarHBondContact O-N 3.06Å; A45-Q63 HydrophobicContact CB-CB 4.48Å; A45-Q63 WeakPolarHBondContact CB-O 3.44Å; A45-Q63 PolarHBondContact N-O 3.06Å; A45-V104 CarbonylContact C-O 3.56Å; A45-V104 WeakPolarHBondContact CA-O 3.49Å
46	V	98.1	Very high	92.2	Very high	65 Å²	65	53 Å²	53	39%	0.394	29%	0.292	S	S	.	.	S	Bend	trans	-98.1	-17.5	176.9	-66.2	0	0	0	0	112.4	T44 K61 V104 K106	T44-V46 PolarHBondContact O-N 3.13Å; V46-K61 VanDerWaalsContact O-CD 3.29Å; V46-K61 WeakPolarHBondContact O-CD 3.23Å; V46-K61 WeakPolarHBondContact O-CE 3.44Å; V46-K61 WeakPolarHBondContact O-CG 3.35Å; V46-V104 WeakPolarHBondContact CG2-O 3.25Å; V46-V104 PolarHBondContact N-O 3.28Å; V46-K106 HydrophobicContact CG1-CB 3.64Å
47	D	97.8	Very high	92.5	Very high	94 Å²	94	51.9 Å²	51.9	50%	0.503	28%	0.284	S	S	.	.	S	Bend	trans	-142.4	164.5	178	-155	0.6	0	0	0	111.3	V104	D47-V104 HydrophobicContact CB-CB 4.37Å; D47-V104 HydrophobicContact CB-CG1 4.36Å; D47-V104 PolarHBondContact N-O 3.13Å
48	D	96.7	Very high	92.9	Very high	69 Å²	69	53 Å²	53	37%	0.369	29%	0.285	S	S	.	.			trans	-77.8	142.2	171.9	-79.8	5.3	0	0	0	110.3	I59 K60 K61	D48-I59 WeakPolarHBondContact CA-O 3.37Å; D48-K60 HydrophobicContact CB-CD 4.42Å; D48-K60 WeakPolarHBondContact OD1-CA 3.39Å; D48-K60 WeakPolarHBondContact OD1-CD 2.92Å; D48-K60 WeakPolarHBondContact OD2-CD 3.47Å; D48-K60 IonicContact OD2-NZ 3.05Å; D48-K60 PolarHBondContact OD2-NZ 2.95Å; D48-K61 PolarHBondContact OD1-N 2.96Å
49	F	96.3	Very high	93.3	Very high	35 Å²	35	45.6 Å²	45.6	15%	0.154	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-136	124.9	172.6	177	-114.7	0	0	0	109.9	F56 I57 N58 I59 F100 P101 V104	F49-F56 HydrophobicContact CE1-CB 3.97Å; F49-F56 HydrophobicContact CE1-CD1 4.04Å; F49-F56 HydrophobicContact CE1-CG 4.34Å; F49-F56 HydrophobicContact CZ-CB 4.24Å; F49-F56 AromaticContact CZ-CD1 3.84Å; F49-F56 HydrophobicContact CZ-CD1 3.84Å; F49-F56 HydrophobicContact CZ-CG 4.2Å; F49-I57 WeakPolarHBondContact CD1-O 2.88Å; F49-I57 WeakPolarHBondContact CE1-O 3.48Å; F49-N58 WeakPolarHBondContact O-CA 3.2Å; F49-I59 HydrophobicContact CB-CB 4.27Å; F49-I59 PolarHBondContact N-O 3.15Å; F49-I59 PolarHBondContact O-N 3.33Å; F49-F100 HydrophobicContact CD1-CB 3.98Å; F49-F100 HydrophobicContact CE1-CB 4.06Å; F49-P101 HydrophobicContact CD2-CG 3.9Å; F49-P101 HydrophobicContact CE2-CG 3.92Å; F49-P101 HydrophobicContact CG-CG 4.37Å; F49-P101 HydrophobicContact CZ-CG 4.38Å; F49-V104 HydrophobicContact CB-CB 4.39Å; F49-V104 HydrophobicContact CB-CG1 4.22Å; F49-V104 HydrophobicContact CB-CG2 3.98Å; F49-V104 HydrophobicContact CG-CG2 4.45Å
50	I	95.5	Very high	93.6	Very high	131 Å²	131	48.7 Å²	48.7	67%	0.672	27%	0.266	S	S	*	.			trans	-102	120.8	177.1	-58.7	174.4	0	0	0	107.5	P52 N58	I50-P52 WeakPolarHBondContact O-CD 3.38Å; I50-N58 WeakPolarHBondContact CA-OD1 3.47Å
51	A	93.4	Very high	93.8	Very high	24 Å²	24	55.5 Å²	55.5	20%	0.198	30%	0.296	C	S	.	.			trans	-62.6	119.1	-179.6	0	0	0	0	0	110.5	F56 N58	A51-F56 HydrophobicContact CB-CB 3.68Å; A51-F56 WeakPolarHBondContact CB-O 3.28Å; A51-N58 WeakPolarHBondContact CB-OD1 3.2Å; A51-N58 PolarHBondContact N-OD1 3.06Å
52	P	89.1	Confident	93.8	Very high	100 Å²	100	58 Å²	58	65%	0.649	32%	0.322	S	S	*	.	S	Bend	trans	-74.4	-28.4	177.9	29.4	-35.3	0	0	0	112.5	I50 F56	I50-P52 WeakPolarHBondContact O-CD 3.38Å; P52-F56 HydrophobicContact CG-CD2 3.59Å; P52-F56 HydrophobicContact CG-CE2 3.85Å; P52-F56 HydrophobicContact CG-CG 4.14Å
53	D	86.9	Confident	93.8	Very high	46 Å²	46	60.2 Å²	60.2	25%	0.246	33%	0.332	C	S	.	.	S	Bend	trans	-144	176.5	178.2	74.5	40.2	0	0	0	111.5	R55 F56	D53-R55 PolarHBondContact O-N 2.86Å; D53-R55 WeakPolarHBondContact OD1-CA 3.3Å; D53-R55 WeakPolarHBondContact OD1-CB 3.37Å; D53-R55 WeakPolarHBondContact OD1-CG 3.27Å; D53-R55 PolarHBondContact OD1-N 2.89Å; D53-R55 IonicContact OD1-NE 2.77Å; D53-R55 PolarHBondContact OD1-NE 3.49Å; D53-R55 IonicContact OD2-CZ 2.95Å; D53-R55 IonicContact OD2-NE 3.34Å; D53-R55 PolarHBondContact OD2-NE 3.11Å; D53-R55 IonicContact OD2-NH2 2.71Å; D53-R55 PolarHBondContact OD2-NH2 2.96Å; D53-F56 PolarHBondContact O-N 3Å; D53-F56 WeakPolarHBondContact OD1-CD2 3.42Å
54	C	85.7	Confident	93.6	Very high	105 Å²	105	63.7 Å²	63.7	71%	0.709	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-13.5	-175.1	62.3	0	0	0	0	115.3	F56	C54-F56 VanDerWaalsContact C-N 3.28Å
55	R	87.6	Confident	93.5	Very high	70 Å²	70	61.6 Å²	61.6	26%	0.264	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-21.4	176.3	-53.6	177.3	-68.2	174.6	-1.5	111.1	D23 D53 G98 Y99	D23-R55 PolarHBondContact O-NH1 2.83Å; D53-R55 PolarHBondContact O-N 2.86Å; D53-R55 WeakPolarHBondContact OD1-CA 3.3Å; D53-R55 WeakPolarHBondContact OD1-CB 3.37Å; D53-R55 WeakPolarHBondContact OD1-CG 3.27Å; D53-R55 PolarHBondContact OD1-N 2.89Å; D53-R55 IonicContact OD1-NE 2.77Å; D53-R55 PolarHBondContact OD1-NE 3.49Å; D53-R55 IonicContact OD2-CZ 2.95Å; D53-R55 IonicContact OD2-NE 3.34Å; D53-R55 PolarHBondContact OD2-NE 3.11Å; D53-R55 IonicContact OD2-NH2 2.71Å; D53-R55 PolarHBondContact OD2-NH2 2.96Å; R55-G98 CarbonylContact O-C 3.57Å; R55-G98 VanDerWaalsContact O-CA 3.27Å; R55-G98 WeakPolarHBondContact O-CA 3.47Å; R55-Y99 HydrophobicContact CB-CD2 4.14Å; R55-Y99 WeakPolarHBondContact O-CD2 3.28Å; R55-Y99 PolarHBondContact O-N 3.45Å
56	F	91.7	Very high	93.4	Very high	11 Å²	11	64.3 Å²	64.3	5%	0.048	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-98	158.1	-179.4	-61.6	-85.6	0	0	0	111.7	L25 F49 A51 P52 D53 C54 F80 Y99	L25-F56 HydrophobicContact CD1-CE1 4.18Å; L25-F56 HydrophobicContact CD1-CZ 4Å; L25-F56 HydrophobicContact CD2-CZ 4.03Å; F49-F56 HydrophobicContact CE1-CB 3.97Å; F49-F56 HydrophobicContact CE1-CD1 4.04Å; F49-F56 HydrophobicContact CE1-CG 4.34Å; F49-F56 HydrophobicContact CZ-CB 4.24Å; F49-F56 AromaticContact CZ-CD1 3.84Å; F49-F56 HydrophobicContact CZ-CD1 3.84Å; F49-F56 HydrophobicContact CZ-CG 4.2Å; A51-F56 HydrophobicContact CB-CB 3.68Å; A51-F56 WeakPolarHBondContact CB-O 3.28Å; P52-F56 HydrophobicContact CG-CD2 3.59Å; P52-F56 HydrophobicContact CG-CE2 3.85Å; P52-F56 HydrophobicContact CG-CG 4.14Å; D53-F56 PolarHBondContact O-N 3Å; D53-F56 WeakPolarHBondContact OD1-CD2 3.42Å; C54-F56 VanDerWaalsContact C-N 3.28Å; F56-F80 HydrophobicContact CD1-CE1 4.44Å; F56-F80 AromaticContact CE1-CD1 3.71Å; F56-F80 HydrophobicContact CE1-CD1 3.71Å; F56-F80 AromaticContact CE1-CE1 3.51Å; F56-F80 HydrophobicContact CE1-CE1 3.51Å; F56-F80 HydrophobicContact CE1-CZ 4.24Å; F56-F80 HydrophobicContact CZ-CE1 4.2Å; F56-Y99 WeakPolarHBondContact CA-O 3.21Å; F56-Y99 WeakPolarHBondContact CB-O 3.23Å; F56-Y99 VanDerWaalsContact CD1-O 3.3Å; F56-Y99 WeakPolarHBondContact CD1-O 3.35Å
57	I	93.1	Very high	93.2	Very high	3 Å²	3	61.2 Å²	61.2	2%	0.015	33%	0.327	C	S	.	.			trans	-111.6	144.8	173.6	49.2	172.4	0	0	0	111.4	F49 I59 V85 R96 T97 G98 Y99 F100	F49-I57 WeakPolarHBondContact CD1-O 2.88Å; F49-I57 WeakPolarHBondContact CE1-O 3.48Å; I57-I59 HydrophobicContact CD1-CD1 4.21Å; I57-I59 HydrophobicContact CD1-CG1 4.24Å; I57-I59 HydrophobicContact CG1-CD1 4.27Å; I57-I59 HydrophobicContact CG1-CG1 4.18Å; I57-V85 HydrophobicContact CD1-CG2 4.14Å; I57-R96 HydrophobicContact CG2-CB 4.46Å; I57-R96 HydrophobicContact CG2-CG 4.14Å; I57-R96 VanDerWaalsContact CG2-O 3.23Å; I57-R96 WeakPolarHBondContact CG2-O 3.45Å; I57-T97 WeakPolarHBondContact CG2-O 3.28Å; I57-G98 VanDerWaalsContact CG2-N 3.35Å; I57-Y99 PolarHBondContact N-O 3.31Å; I57-Y99 VanDerWaalsContact N-O 3.13Å; I57-F100 HydrophobicContact CD1-CD1 3.77Å; I57-F100 HydrophobicContact CD1-CE1 4.18Å; I57-F100 HydrophobicContact CG1-CD1 3.98Å
58	N	92.3	Very high	92.9	Very high	88 Å²	88	57.7 Å²	57.7	47%	0.471	31%	0.307	S	S	.	.			trans	-72.5	131.1	169.2	-67.7	-44.7	0	0	0	108.9	F49 I50 A51	F49-N58 WeakPolarHBondContact O-CA 3.2Å; I50-N58 WeakPolarHBondContact CA-OD1 3.47Å; A51-N58 WeakPolarHBondContact CB-OD1 3.2Å; A51-N58 PolarHBondContact N-OD1 3.06Å
59	I	94.6	Very high	92.8	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.005	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-125.6	136.6	175.9	-62.6	176.3	0	0	0	107.8	A45 D48 F49 I57 V65 V85 F100 V104 V105	A45-I59 HydrophobicContact CB-CG2 3.31Å; D48-I59 WeakPolarHBondContact CA-O 3.37Å; F49-I59 HydrophobicContact CB-CB 4.27Å; F49-I59 PolarHBondContact N-O 3.15Å; F49-I59 PolarHBondContact O-N 3.33Å; I57-I59 HydrophobicContact CD1-CD1 4.21Å; I57-I59 HydrophobicContact CD1-CG1 4.24Å; I57-I59 HydrophobicContact CG1-CD1 4.27Å; I57-I59 HydrophobicContact CG1-CG1 4.18Å; I59-V65 HydrophobicContact CD1-CG2 4.21Å; I59-V65 HydrophobicContact CG2-CG2 4.4Å; I59-V85 HydrophobicContact CG1-CG2 4.19Å; I59-F100 HydrophobicContact CD1-CB 3.48Å; I59-F100 VanDerWaalsContact CD1-CB 3.48Å; I59-F100 HydrophobicContact CD1-CD1 3.74Å; I59-F100 HydrophobicContact CD1-CD2 3.83Å; I59-F100 HydrophobicContact CD1-CE1 4.42Å; I59-F100 HydrophobicContact CD1-CG 3.39Å; I59-V104 HydrophobicContact CD1-CG2 4.49Å; I59-V105 HydrophobicContact CD1-CG1 4.42Å
60	K	95.3	Very high	92.6	Very high	106 Å²	106	54.6 Å²	54.6	46%	0.461	29%	0.291	S	S	.	.			trans	-109.5	142.5	171	-69.4	-57.7	-163.5	178.9	0	110.3	A45 D48 G62 Q63	A45-K60 WeakPolarHBondContact CB-O 3.47Å; D48-K60 HydrophobicContact CB-CD 4.42Å; D48-K60 WeakPolarHBondContact OD1-CA 3.39Å; D48-K60 WeakPolarHBondContact OD1-CD 2.92Å; D48-K60 WeakPolarHBondContact OD2-CD 3.47Å; D48-K60 IonicContact OD2-NZ 3.05Å; D48-K60 PolarHBondContact OD2-NZ 2.95Å; K60-G62 PolarHBondContact O-N 3.14Å; K60-Q63 HydrophobicContact CB-CG 4.1Å; K60-Q63 VanDerWaalsContact O-CB 3.25Å; K60-Q63 WeakPolarHBondContact O-CB 3.45Å; K60-Q63 VanDerWaalsContact O-CG 3.29Å; K60-Q63 WeakPolarHBondContact O-CG 3.45Å; K60-Q63 PolarHBondContact O-N 3.22Å
61	K	97	Very high	92.5	Very high	147 Å²	147	48.7 Å²	48.7	64%	0.639	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	134.2	175.6	-177.2	171.7	-175.6	169.9	0	110.8	V46 D48 Q63	V46-K61 VanDerWaalsContact O-CD 3.29Å; V46-K61 WeakPolarHBondContact O-CD 3.23Å; V46-K61 WeakPolarHBondContact O-CE 3.44Å; V46-K61 WeakPolarHBondContact O-CG 3.35Å; D48-K61 PolarHBondContact OD1-N 2.96Å; K61-Q63 VanDerWaalsContact C-N 3.33Å
62	G	94.9	Very high	92.3	Very high	53 Å²	53	49.4 Å²	49.4	55%	0.546	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.7	-11	-177.2	0	0	0	0	0	115	A45 K60	A45-G62 PolarHBondContact O-N 3.06Å; K60-G62 PolarHBondContact O-N 3.14Å
63	Q	93.3	Very high	92	Very high	69 Å²	69	46.6 Å²	46.6	32%	0.322	24%	0.242	S	C	.	.			trans	-69.4	145.3	174.5	-68.5	-174	-51.4	0	0	111.6	T44 A45 K60 K61 V85	T44-Q63 WeakPolarHBondContact CA-O 3.45Å; A45-Q63 HydrophobicContact CB-CB 4.48Å; A45-Q63 WeakPolarHBondContact CB-O 3.44Å; A45-Q63 PolarHBondContact N-O 3.06Å; K60-Q63 HydrophobicContact CB-CG 4.1Å; K60-Q63 VanDerWaalsContact O-CB 3.25Å; K60-Q63 WeakPolarHBondContact O-CB 3.45Å; K60-Q63 VanDerWaalsContact O-CG 3.29Å; K60-Q63 WeakPolarHBondContact O-CG 3.45Å; K60-Q63 PolarHBondContact O-N 3.22Å; K61-Q63 VanDerWaalsContact C-N 3.33Å; Q63-V85 HydrophobicContact CB-CG1 4.07Å; Q63-V85 HydrophobicContact CG-CG1 4.33Å
64	M	93.4	Very high	91.6	Very high	73 Å²	73	48 Å²	48	36%	0.36	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	142	169.7	-66.8	-176.7	-66.8	0	0	109.6	M42 A43 Y86	M42-M64 HydrophobicContact SD-SD 4.35Å; A43-M64 CarbonylContact O-C 3.58Å; A43-M64 WeakPolarHBondContact O-CA 3.15Å; M64-Y86 HydrophobicContact CB-CG 4.37Å; M64-Y86 HydrophobicContact CE-CD1 3.6Å; M64-Y86 HydrophobicContact CE-CE1 3.89Å; M64-Y86 HydrophobicContact CE-CG 4.06Å; M64-Y86 VanDerWaalsContact O-CB 3.3Å; M64-Y86 WeakPolarHBondContact O-CB 3.49Å; M64-Y86 PolarHBondContact O-N 3.18Å
65	V	94.3	Very high	91	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	129.8	-177.6	-175.2	0	0	0	0	108.4	M42 A43 I59 S84 F100 V105	M42-V65 WeakPolarHBondContact CA-O 3.2Å; A43-V65 PolarHBondContact N-O 2.83Å; A43-V65 PolarHBondContact O-N 2.89Å; I59-V65 HydrophobicContact CD1-CG2 4.21Å; I59-V65 HydrophobicContact CG2-CG2 4.4Å; V65-S84 CarbonylContact C-O 3.48Å; V65-S84 VanDerWaalsContact CA-O 3.28Å; V65-S84 WeakPolarHBondContact CA-O 3.44Å; V65-S84 WeakPolarHBondContact CG1-O 3.34Å; V65-F100 HydrophobicContact CG1-CE1 3.66Å; V65-F100 HydrophobicContact CG1-CE2 4.45Å; V65-F100 HydrophobicContact CG1-CZ 3.61Å; V65-V105 HydrophobicContact CG2-CG1 4.39Å
66	Y	93.7	Very high	89.8	Confident	60 Å²	60	52.7 Å²	52.7	24%	0.235	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	131.1	167.9	-70	-57.1	0	0	0	109.5	V39 M42 G83 S84 Y86 F111	V39-Y66 HydrophobicContact CG1-CD1 3.88Å; V39-Y66 HydrophobicContact CG1-CG 4.29Å; M42-Y66 HydrophobicContact CB-CD1 4.32Å; M42-Y66 HydrophobicContact CB-CE1 4.44Å; M42-Y66 HydrophobicContact CG-CD1 4.26Å; M42-Y66 HydrophobicContact CG-CE1 4.19Å; M42-Y66 HydrophobicContact SD-CE1 4.05Å; Y66-G83 CarbonylContact O-C 3.57Å; Y66-G83 WeakPolarHBondContact O-CA 3.21Å; Y66-S84 PolarHBondContact N-O 3.41Å; Y66-S84 PolarHBondContact O-N 2.88Å; Y66-Y86 HydrophobicContact CD2-CD2 4.49Å; Y66-Y86 AromaticContact CE2-CD2 3.56Å; Y66-Y86 HydrophobicContact CE2-CD2 3.56Å; Y66-Y86 HydrophobicContact CE2-CE2 4.19Å; Y66-Y86 AromaticContact CZ-CD2 3.87Å; Y66-F111 HydrophobicContact CD1-CE2 4.42Å; Y66-F111 HydrophobicContact CE1-CE2 4.46Å; Y66-F111 HydrophobicContact CE1-CZ 4.5Å
67	V	94.4	Very high	88.6	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	119.6	179.8	-172.3	0	0	0	0	108.3	L40 S41 A43 K70 W81 F100	L40-V67 WeakPolarHBondContact CB-O 3.2Å; L40-V67 PolarHBondContact N-O 2.88Å; S41-V67 PolarHBondContact N-O 2.89Å; S41-V67 PolarHBondContact O-N 2.8Å; S41-V67 WeakPolarHBondContact OG-CB 3.43Å; A43-V67 HydrophobicContact CB-CG2 4.22Å; V67-K70 HydrophobicContact CG1-CG 4.2Å; V67-W81 HydrophobicContact CG1-CB 4.17Å; V67-W81 HydrophobicContact CG1-CD2 4.42Å; V67-W81 HydrophobicContact CG1-CE3 4.1Å; V67-W81 HydrophobicContact CG1-CG 4.48Å; V67-W81 HydrophobicContact CG2-CE3 4.06Å; V67-W81 HydrophobicContact CG2-CZ3 4.47Å; V67-F100 HydrophobicContact CG2-CZ 4.27Å
68	Y	92.3	Very high	87.5	Confident	21 Å²	21	56.3 Å²	56.3	8%	0.082	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-36.2	177.4	-54.6	-76.5	0	0	0	111.9	V39 Y82 S84 M94 T97	V39-Y68 HydrophobicContact CB-CD1 4.47Å; V39-Y68 HydrophobicContact CG2-CD1 3.88Å; V39-Y68 HydrophobicContact CG2-CE1 3.51Å; Y68-Y82 HydrophobicContact CD2-CD1 4.04Å; Y68-Y82 HydrophobicContact CD2-CE1 4.12Å; Y68-Y82 PolarHBondContact N-O 2.97Å; Y68-S84 PolarHBondContact OH-OG 2.77Å; Y68-M94 WeakPolarHBondContact OH-CG 3.27Å; Y68-M94 PolarHBondContact OH-SD 2.83Å; Y68-T97 HydrophobicContact CE2-CG2 4.36Å
69	S	92.9	Very high	87.4	Confident	5 Å²	5	55.4 Å²	55.4	4%	0.035	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	153.6	177.5	68.6	0	0	0	0	113.2	M30 Y82	M30-S69 CarbonylContact O-C 3.54Å; M30-S69 WeakPolarHBondContact O-CA 3.34Å; M30-S69 VanDerWaalsContact O-CB 3.29Å; M30-S69 WeakPolarHBondContact O-CB 3.41Å; S69-Y82 PolarHBondContact N-O 2.89Å; S69-Y82 PolarHBondContact O-N 3.43Å; S69-Y82 WeakPolarHBondContact OG-CB 3.19Å
70	K	93.5	Very high	87.3	Confident	34 Å²	34	57.7 Å²	57.7	15%	0.148	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	119	177.6	-60.7	-179.7	175.9	175.1	0	108.4	K29 M30 L40 V67 W81 E107	K29-K70 CarbonylContact C-O 3.42Å; K29-K70 WeakPolarHBondContact CA-O 3.23Å; M30-K70 HydrophobicContact CE-CB 4.35Å; M30-K70 PolarHBondContact N-O 3.06Å; M30-K70 PolarHBondContact O-N 2.8Å; L40-K70 HydrophobicContact CD2-CD 3.83Å; L40-K70 HydrophobicContact CD2-CG 3.88Å; V67-K70 HydrophobicContact CG1-CG 4.2Å; K70-W81 HydrophobicContact CB-CG 4.29Å; K70-W81 HydrophobicContact CD-CD2 4.28Å; K70-W81 HydrophobicContact CD-CZ2 3.95Å; K70-W81 HydrophobicContact CG-CD2 3.95Å; K70-W81 HydrophobicContact CG-CG 3.88Å; K70-W81 HydrophobicContact CG-CZ2 4.49Å; K70-E107 WeakPolarHBondContact CE-OE1 3.36Å; K70-E107 IonicContact NZ-OE1 2.74Å; K70-E107 PolarHBondContact NZ-OE1 2.5Å; K70-E107 IonicContact NZ-OE2 3.29Å; K70-E107 PolarHBondContact NZ-OE2 3.33Å
71	L	92.2	Very high	87.3	Confident	6 Å²	6	54.1 Å²	54.1	3%	0.031	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	143.6	177.2	-60.9	-171	0	0	0	110.3	L25 A26 K29 P73 F80 Y99	L25-L71 HydrophobicContact CB-CD1 3.53Å; L25-L71 HydrophobicContact CD1-CD1 4.25Å; A26-L71 HydrophobicContact CB-CB 3.81Å; A26-L71 HydrophobicContact CB-CD1 4.03Å; A26-L71 HydrophobicContact CB-CD2 4.42Å; A26-L71 HydrophobicContact CB-CG 4.32Å; K29-L71 HydrophobicContact CB-CD2 3.71Å; L71-P73 WeakPolarHBondContact O-CD 3.22Å; L71-F80 WeakPolarHBondContact CA-O 3.19Å; L71-F80 WeakPolarHBondContact CB-O 3.41Å; L71-F80 HydrophobicContact CD1-CB 4.09Å; L71-F80 WeakPolarHBondContact CG-O 3.28Å; L71-F80 PolarHBondContact N-O 2.03Å; L71-Y99 HydrophobicContact CD1-CD1 3.88Å; L71-Y99 HydrophobicContact CD1-CE1 3.57Å; L71-Y99 HydrophobicContact CD2-CE1 3.99Å; L71-Y99 HydrophobicContact CG-CD1 4.29Å; L71-Y99 HydrophobicContact CG-CE1 3.87Å
72	I	90	Very high	87.1	Confident	39 Å²	39	48.8 Å²	48.8	20%	0.2	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	105.6	172.6	-55.8	177.4	0	0	0	106.3	A26 R28 M30 R117	A26-I72 VanDerWaalsContact CB-O 3.28Å; A26-I72 WeakPolarHBondContact CB-O 3.29Å; R28-I72 HydrophobicContact CB-CB 4.21Å; R28-I72 HydrophobicContact CB-CD1 4.04Å; R28-I72 HydrophobicContact CB-CG1 4.46Å; R28-I72 PolarHBondContact O-N 3.48Å; M30-I72 HydrophobicContact CE-CG1 4.12Å; M30-I72 HydrophobicContact CG-CD1 3.81Å; M30-I72 HydrophobicContact CG-CG1 3.98Å; M30-I72 HydrophobicContact SD-CD1 4.35Å; M30-I72 HydrophobicContact SD-CG1 4.46Å; I72-R117 HydrophobicContact CD1-CG 3.79Å; I72-R117 VanDerWaalsContact CD1-NE 3.33Å
73	P	83.8	Confident	87.1	Confident	41 Å²	41	46.2 Å²	46.2	27%	0.266	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-63	147.2	-177.8	26.9	-34.2	0	0	0	110.8	L71 A77 V79	L71-P73 WeakPolarHBondContact O-CD 3.22Å; P73-A77 HydrophobicContact CB-CB 3.9Å; P73-A77 VanDerWaalsContact CB-O 3.23Å; P73-A77 WeakPolarHBondContact CB-O 3.25Å; P73-V79 HydrophobicContact CG-CG2 4.11Å
74	P	76.8	Confident	87	Confident	77 Å²	77	43 Å²	43	50%	0.5	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-60.9	155.2	158.1	27.7	-32.4	0	0	0	109.6	G76 A77	P74-G76 PolarHBondContact O-N 3.03Å; P74-G76 VanDerWaalsContact O-N 3.14Å; P74-A77 HydrophobicContact CG-CB 3.81Å; P74-A77 WeakPolarHBondContact O-CB 3.45Å; P74-A77 PolarHBondContact O-N 3.25Å
75	D	73.8	Confident	86.9	Confident	179 Å²	179	40.5 Å²	40.5	96%	0.957	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.6	121.3	-173.8	-62.5	-42.8	0	0	0	112
76	G	61.7	Low	86.5	Confident	93 Å²	93	45.2 Å²	45.2	96%	0.959	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.7	-1.7	179.3	0	0	0	0	0	116.8	P74	P74-G76 PolarHBondContact O-N 3.03Å; P74-G76 VanDerWaalsContact O-N 3.14Å
77	A	68.1	Low	85.7	Confident	45 Å²	45	44.9 Å²	44.9	37%	0.372	28%	0.276	S	S	.	.			trans	-87.4	156.5	176.5	0	0	0	0	0	113.4	P73 P74	P73-A77 HydrophobicContact CB-CB 3.9Å; P73-A77 VanDerWaalsContact CB-O 3.23Å; P73-A77 WeakPolarHBondContact CB-O 3.25Å; P74-A77 HydrophobicContact CG-CB 3.81Å; P74-A77 WeakPolarHBondContact O-CB 3.45Å; P74-A77 PolarHBondContact O-N 3.25Å
78	G	69.9	Low	84.4	Confident	46 Å²	46	53.5 Å²	53.5	47%	0.474	32%	0.317	S	S	.	.			trans	-63.6	143.9	179.9	0	0	0	0	0	113.4	F80	G78-F80 VanDerWaalsContact O-CD2 3.28Å; G78-F80 WeakPolarHBondContact O-CD2 3.3Å; G78-F80 PolarHBondContact O-N 3.17Å
79	V	88.7	Confident	83	Confident	68 Å²	68	62.6 Å²	62.6	41%	0.412	35%	0.351	S	S	.	.			trans	-80.9	108	177.7	-175.5	0	0	0	0	109.5	P73 A102	P73-V79 HydrophobicContact CG-CG2 4.11Å; V79-A102 HydrophobicContact CB-CB 4.18Å; V79-A102 HydrophobicContact CG1-CB 3.84Å; V79-A102 PolarHBondContact O-N 3.5Å
80	F	93.8	Very high	81	Confident	50 Å²	50	72.4 Å²	72.4	22%	0.219	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	138.1	177.1	-69.2	-77	0	0	0	111.8	F56 L71 G78 F100 P101	F56-F80 HydrophobicContact CD1-CE1 4.44Å; F56-F80 AromaticContact CE1-CD1 3.71Å; F56-F80 HydrophobicContact CE1-CD1 3.71Å; F56-F80 AromaticContact CE1-CE1 3.51Å; F56-F80 HydrophobicContact CE1-CE1 3.51Å; F56-F80 HydrophobicContact CE1-CZ 4.24Å; F56-F80 HydrophobicContact CZ-CE1 4.2Å; L71-F80 WeakPolarHBondContact CA-O 3.19Å; L71-F80 WeakPolarHBondContact CB-O 3.41Å; L71-F80 HydrophobicContact CD1-CB 4.09Å; L71-F80 WeakPolarHBondContact CG-O 3.28Å; L71-F80 PolarHBondContact N-O 2.03Å; G78-F80 VanDerWaalsContact O-CD2 3.28Å; G78-F80 WeakPolarHBondContact O-CD2 3.3Å; G78-F80 PolarHBondContact O-N 3.17Å; F80-F100 WeakPolarHBondContact CA-O 3.18Å; F80-P101 HydrophobicContact CD1-CB 4.41Å; F80-P101 HydrophobicContact CE1-CB 4.26Å
81	W	94.9	Very high	79.1	Confident	31 Å²	31	75.6 Å²	75.6	12%	0.117	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	157.4	173.6	-62.9	-6	0	0	0	110	V67 K70 Y99 F100 A102 V105	V67-W81 HydrophobicContact CG1-CB 4.17Å; V67-W81 HydrophobicContact CG1-CD2 4.42Å; V67-W81 HydrophobicContact CG1-CE3 4.1Å; V67-W81 HydrophobicContact CG1-CG 4.48Å; V67-W81 HydrophobicContact CG2-CE3 4.06Å; V67-W81 HydrophobicContact CG2-CZ3 4.47Å; K70-W81 HydrophobicContact CB-CG 4.29Å; K70-W81 HydrophobicContact CD-CD2 4.28Å; K70-W81 HydrophobicContact CD-CZ2 3.95Å; K70-W81 HydrophobicContact CG-CD2 3.95Å; K70-W81 HydrophobicContact CG-CG 3.88Å; K70-W81 HydrophobicContact CG-CZ2 4.49Å; W81-Y99 CarbonylContact O-C 3.57Å; W81-Y99 WeakPolarHBondContact O-CA 3.15Å; W81-F100 HydrophobicContact CB-CE2 3.92Å; W81-F100 HydrophobicContact CB-CZ 3.96Å; W81-F100 HydrophobicContact CE3-CE2 4.22Å; W81-F100 PolarHBondContact N-O 3.04Å; W81-F100 PolarHBondContact O-N 2.77Å; W81-A102 HydrophobicContact CD2-CB 3.81Å; W81-A102 VanDerWaalsContact CE2-CB 3.42Å; W81-A102 HydrophobicContact CE3-CB 4.42Å; W81-A102 HydrophobicContact CG-CB 4.19Å; W81-A102 HydrophobicContact CH2-CB 4.34Å; W81-A102 HydrophobicContact CZ2-CB 3.72Å; W81-V105 HydrophobicContact CE3-CG2 3.9Å; W81-V105 HydrophobicContact CZ3-CG2 3.78Å
82	Y	93.6	Very high	77	Confident	34 Å²	34	82.7 Å²	82.7	13%	0.133	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	131.4	178.3	-176.4	-102.2	0	0	0	110.2	Y68 S69 T97 Y99 L141	Y68-Y82 HydrophobicContact CD2-CD1 4.04Å; Y68-Y82 HydrophobicContact CD2-CE1 4.12Å; Y68-Y82 PolarHBondContact N-O 2.97Å; S69-Y82 PolarHBondContact N-O 2.89Å; S69-Y82 PolarHBondContact O-N 3.43Å; S69-Y82 WeakPolarHBondContact OG-CB 3.19Å; Y82-T97 VanDerWaalsContact OH-CB 3.28Å; Y82-T97 WeakPolarHBondContact OH-CB 3.46Å; Y82-T97 PolarHBondContact OH-OG1 3.28Å; Y82-T97 VanDerWaalsContact OH-OG1 3.06Å; Y82-Y99 HydrophobicContact CD2-CD1 4Å; Y82-Y99 HydrophobicContact CD2-CD2 4.28Å; Y82-Y99 AromaticContact CD2-CE1 3.84Å; Y82-Y99 HydrophobicContact CD2-CE1 3.84Å; Y82-Y99 HydrophobicContact CD2-CE2 4.14Å; Y82-Y99 HydrophobicContact CD2-CG 4.23Å; Y82-Y99 AromaticContact CD2-CZ 3.92Å; Y82-Y99 HydrophobicContact CG-CD1 4.47Å; Y82-Y99 HydrophobicContact CG-CE1 4.19Å; Y82-L141 WeakPolarHBondContact CE1-OXT 3.3Å; Y82-L141 VanDerWaalsContact CZ-OXT 3.25Å; Y82-L141 PolarHBondContact OH-O 2.84Å; Y82-L141 PolarHBondContact OH-OXT 3.15Å
83	G	93.1	Very high	75.1	Confident	0 Å²	0	88.1 Å²	88.1	0%	0	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.3	-174.7	-172.4	0	0	0	0	0	114.7	Y66 T97 G98	Y66-G83 CarbonylContact O-C 3.57Å; Y66-G83 WeakPolarHBondContact O-CA 3.21Å; G83-T97 VanDerWaalsContact O-CA 3.25Å; G83-T97 WeakPolarHBondContact O-CA 3.47Å; G83-G98 PolarHBondContact N-O 2.82Å; G83-G98 PolarHBondContact O-N 2.88Å
84	S	91.9	Very high	73.8	Confident	1 Å²	1	91.5 Å²	91.5	1%	0.007	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	143.9	174.3	62.1	0	0	0	0	110.7	V65 Y66 Y68	V65-S84 CarbonylContact C-O 3.48Å; V65-S84 VanDerWaalsContact CA-O 3.28Å; V65-S84 WeakPolarHBondContact CA-O 3.44Å; V65-S84 WeakPolarHBondContact CG1-O 3.34Å; Y66-S84 PolarHBondContact N-O 3.41Å; Y66-S84 PolarHBondContact O-N 2.88Å; Y68-S84 PolarHBondContact OH-OG 2.77Å
85	V	91.8	Very high	73.3	Confident	21 Å²	21	88.6 Å²	88.6	13%	0.127	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	131.5	171.7	-178.3	0	0	0	0	109.2	I57 I59 Q63 S87	I57-V85 HydrophobicContact CD1-CG2 4.14Å; I59-V85 HydrophobicContact CG1-CG2 4.19Å; Q63-V85 HydrophobicContact CB-CG1 4.07Å; Q63-V85 HydrophobicContact CG-CG1 4.33Å; V85-S87 PolarHBondContact O-N 3.05Å
86	Y	86.1	Confident	73.5	Confident	98 Å²	98	88.1 Å²	88.1	38%	0.384	46%	0.456	S	S	.	.			trans	-62.4	127.3	174.7	-175.4	-96.7	0	0	0	110.6	M64 Y66 Q88	M64-Y86 HydrophobicContact CB-CG 4.37Å; M64-Y86 HydrophobicContact CE-CD1 3.6Å; M64-Y86 HydrophobicContact CE-CE1 3.89Å; M64-Y86 HydrophobicContact CE-CG 4.06Å; M64-Y86 VanDerWaalsContact O-CB 3.3Å; M64-Y86 WeakPolarHBondContact O-CB 3.49Å; M64-Y86 PolarHBondContact O-N 3.18Å; Y66-Y86 HydrophobicContact CD2-CD2 4.49Å; Y66-Y86 AromaticContact CE2-CD2 3.56Å; Y66-Y86 HydrophobicContact CE2-CD2 3.56Å; Y66-Y86 HydrophobicContact CE2-CE2 4.19Å; Y66-Y86 AromaticContact CZ-CD2 3.87Å; Y86-Q88 HydrophobicContact CE1-CG 4.06Å
87	S	76.6	Confident	74.8	Confident	54 Å²	54	85.1 Å²	85.1	38%	0.378	42%	0.418	S	S	.	.			trans	-113.2	135.6	174.1	-177.7	0	0	0	0	109.7	V85 R89	V85-S87 PolarHBondContact O-N 3.05Å; S87-R89 PolarHBondContact O-N 3.05Å; S87-R89 PolarHBondContact OG-N 3.29Å
88	Q	66.9	Low	75.9	Confident	181 Å²	181	83 Å²	83	85%	0.846	40%	0.402	S	S	*	.			trans	-77.5	-7.7	174	-67.9	179.8	-3.6	0	0	112.8	Y86	Y86-Q88 HydrophobicContact CE1-CG 4.06Å
89	R	64	Low	77	Confident	212 Å²	212	83.1 Å²	83.1	80%	0.8	39%	0.388	S	S	*	.	S	Bend	trans	-76.5	127.8	175.4	-64.8	-167.7	-172	-158.8	3	109.5	S87	S87-R89 PolarHBondContact O-N 3.05Å; S87-R89 PolarHBondContact OG-N 3.29Å
90	Y	50.4	Low	77.4	Confident	210 Å²	210	79.9 Å²	79.9	82%	0.824	37%	0.368	S	S	*	.			trans	-59.7	129.5	-166.8	-157.7	-114.6	0	0	0	113.9	D92	Y90-D92 PolarHBondContact O-N 2.79Å; Y90-D92 VanDerWaalsContact O-N 3.15Å
91	V	52.6	Low	77.4	Confident	102 Å²	102	78.5 Å²	78.5	62%	0.618	37%	0.365	S	S	*	.	S	Bend	trans	58.6	-27.5	152.7	-64.2	0	0	0	0	125.2
92	D	49.5	Very low	77.4	Confident	155 Å²	155	77.9 Å²	77.9	83%	0.829	37%	0.366	S	S	*	.	S	Bend	trans	-114.4	5.9	-175.7	-84.6	-19.4	0	0	0	115.6	Y90	Y90-D92 PolarHBondContact O-N 2.79Å; Y90-D92 VanDerWaalsContact O-N 3.15Å
93	Q	50.3	Low	77.5	Confident	153 Å²	153	81.9 Å²	81.9	72%	0.715	39%	0.394	S	S	*	.			trans	-128	78.7	176.1	-62.2	-169.1	-3	0	0	109.4	G95	Q93-G95 PolarHBondContact O-N 2.81Å
94	M	55.8	Low	77.7	Confident	111 Å²	111	82.4 Å²	82.4	55%	0.547	40%	0.397	S	S	.	.			trans	-46.3	114	149.7	-156.4	74.6	74.9	0	0	105.1	Y68	Y68-M94 WeakPolarHBondContact OH-CG 3.27Å; Y68-M94 PolarHBondContact OH-SD 2.83Å
95	G	65.6	Low	77.9	Confident	16 Å²	16	82.9 Å²	82.9	17%	0.165	40%	0.4	C	S	.	.			trans	-54.6	164.2	-170.3	0	0	0	0	0	111.1	Q93 T97	Q93-G95 PolarHBondContact O-N 2.81Å; G95-T97 PolarHBondContact O-N 3.46Å
96	R	77.5	Confident	78.2	Confident	170 Å²	170	88.8 Å²	88.8	64%	0.642	42%	0.424	S	S	*	.			trans	-42.3	120.3	175.9	-169.9	177	176.8	169.5	-2.4	109.7	I57	I57-R96 HydrophobicContact CG2-CB 4.46Å; I57-R96 HydrophobicContact CG2-CG 4.14Å; I57-R96 VanDerWaalsContact CG2-O 3.23Å; I57-R96 WeakPolarHBondContact CG2-O 3.45Å
97	T	89.3	Confident	78.6	Confident	29 Å²	29	87.3 Å²	87.3	18%	0.178	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	154.5	-179.8	53.7	0	0	0	0	110.7	I57 Y68 Y82 G83 G95	I57-T97 WeakPolarHBondContact CG2-O 3.28Å; Y68-T97 HydrophobicContact CE2-CG2 4.36Å; Y82-T97 VanDerWaalsContact OH-CB 3.28Å; Y82-T97 WeakPolarHBondContact OH-CB 3.46Å; Y82-T97 PolarHBondContact OH-OG1 3.28Å; Y82-T97 VanDerWaalsContact OH-OG1 3.06Å; G83-T97 VanDerWaalsContact O-CA 3.25Å; G83-T97 WeakPolarHBondContact O-CA 3.47Å; G95-T97 PolarHBondContact O-N 3.46Å
98	G	92	Very high	79.5	Confident	2 Å²	2	88.1 Å²	88.1	2%	0.021	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.7	-177.1	175	0	0	0	0	0	113.1	R55 I57 G83	R55-G98 CarbonylContact O-C 3.57Å; R55-G98 VanDerWaalsContact O-CA 3.27Å; R55-G98 WeakPolarHBondContact O-CA 3.47Å; I57-G98 VanDerWaalsContact CG2-N 3.35Å; G83-G98 PolarHBondContact N-O 2.82Å; G83-G98 PolarHBondContact O-N 2.88Å
99	Y	93.6	Very high	80.7	Confident	47 Å²	47	87.6 Å²	87.6	18%	0.184	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	152.5	178.7	-62.9	-77.4	0	0	0	112.1	L25 R55 F56 I57 L71 W81 Y82	L25-Y99 HydrophobicContact CD1-CD1 4.01Å; L25-Y99 HydrophobicContact CD1-CD2 3.57Å; L25-Y99 HydrophobicContact CD1-CE1 4.45Å; L25-Y99 HydrophobicContact CD1-CE2 4.06Å; L25-Y99 HydrophobicContact CD1-CG 3.55Å; R55-Y99 HydrophobicContact CB-CD2 4.14Å; R55-Y99 WeakPolarHBondContact O-CD2 3.28Å; R55-Y99 PolarHBondContact O-N 3.45Å; F56-Y99 WeakPolarHBondContact CA-O 3.21Å; F56-Y99 WeakPolarHBondContact CB-O 3.23Å; F56-Y99 VanDerWaalsContact CD1-O 3.3Å; F56-Y99 WeakPolarHBondContact CD1-O 3.35Å; I57-Y99 PolarHBondContact N-O 3.31Å; I57-Y99 VanDerWaalsContact N-O 3.13Å; L71-Y99 HydrophobicContact CD1-CD1 3.88Å; L71-Y99 HydrophobicContact CD1-CE1 3.57Å; L71-Y99 HydrophobicContact CD2-CE1 3.99Å; L71-Y99 HydrophobicContact CG-CD1 4.29Å; L71-Y99 HydrophobicContact CG-CE1 3.87Å; W81-Y99 CarbonylContact O-C 3.57Å; W81-Y99 WeakPolarHBondContact O-CA 3.15Å; Y82-Y99 HydrophobicContact CD2-CD1 4Å; Y82-Y99 HydrophobicContact CD2-CD2 4.28Å; Y82-Y99 AromaticContact CD2-CE1 3.84Å; Y82-Y99 HydrophobicContact CD2-CE1 3.84Å; Y82-Y99 HydrophobicContact CD2-CE2 4.14Å; Y82-Y99 HydrophobicContact CD2-CG 4.23Å; Y82-Y99 AromaticContact CD2-CZ 3.92Å; Y82-Y99 HydrophobicContact CG-CD1 4.47Å; Y82-Y99 HydrophobicContact CG-CE1 4.19Å
100	F	95.3	Very high	82.1	Confident	0 Å²	0	80.9 Å²	80.9	0%	0	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	153.5	170.2	54.6	-88	0	0	0	109.7	F49 I57 I59 V65 V67 F80 W81 V104 V105	F49-F100 HydrophobicContact CD1-CB 3.98Å; F49-F100 HydrophobicContact CE1-CB 4.06Å; I57-F100 HydrophobicContact CD1-CD1 3.77Å; I57-F100 HydrophobicContact CD1-CE1 4.18Å; I57-F100 HydrophobicContact CG1-CD1 3.98Å; I59-F100 HydrophobicContact CD1-CB 3.48Å; I59-F100 VanDerWaalsContact CD1-CB 3.48Å; I59-F100 HydrophobicContact CD1-CD1 3.74Å; I59-F100 HydrophobicContact CD1-CD2 3.83Å; I59-F100 HydrophobicContact CD1-CE1 4.42Å; I59-F100 HydrophobicContact CD1-CG 3.39Å; V65-F100 HydrophobicContact CG1-CE1 3.66Å; V65-F100 HydrophobicContact CG1-CE2 4.45Å; V65-F100 HydrophobicContact CG1-CZ 3.61Å; V67-F100 HydrophobicContact CG2-CZ 4.27Å; F80-F100 WeakPolarHBondContact CA-O 3.18Å; W81-F100 HydrophobicContact CB-CE2 3.92Å; W81-F100 HydrophobicContact CB-CZ 3.96Å; W81-F100 HydrophobicContact CE3-CE2 4.22Å; W81-F100 PolarHBondContact N-O 3.04Å; W81-F100 PolarHBondContact O-N 2.77Å; F100-V104 HydrophobicContact CD2-CG2 4.43Å; F100-V105 HydrophobicContact CD2-CG1 3.98Å; F100-V105 HydrophobicContact CD2-CG2 4.31Å; F100-V105 HydrophobicContact CE2-CB 4.41Å; F100-V105 HydrophobicContact CE2-CG1 3.77Å; F100-V105 HydrophobicContact CE2-CG2 3.7Å
101	P	95.8	Very high	84	Confident	22 Å²	22	76.1 Å²	76.1	14%	0.143	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	138.2	177.9	24.9	-29.8	0	0	0	110.6	F49 F80 T103 V104	F49-P101 HydrophobicContact CD2-CG 3.9Å; F49-P101 HydrophobicContact CE2-CG 3.92Å; F49-P101 HydrophobicContact CG-CG 4.37Å; F49-P101 HydrophobicContact CZ-CG 4.38Å; F80-P101 HydrophobicContact CD1-CB 4.41Å; F80-P101 HydrophobicContact CE1-CB 4.26Å; P101-T103 PolarHBondContact O-N 3.07Å; P101-V104 HydrophobicContact CG-CG1 3.83Å; P101-V104 HydrophobicContact CG-CG2 3.99Å; P101-V104 VanDerWaalsContact O-CG2 3.25Å; P101-V104 WeakPolarHBondContact O-CG2 3.08Å; P101-V104 PolarHBondContact O-N 3.14Å
102	A	94.9	Very high	85.4	Confident	17 Å²	17	73.4 Å²	73.4	14%	0.14	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-59.3	-24.3	179.5	0	0	0	0	0	113	V79 W81 V104 V105	V79-A102 HydrophobicContact CB-CB 4.18Å; V79-A102 HydrophobicContact CG1-CB 3.84Å; V79-A102 PolarHBondContact O-N 3.5Å; W81-A102 HydrophobicContact CD2-CB 3.81Å; W81-A102 VanDerWaalsContact CE2-CB 3.42Å; W81-A102 HydrophobicContact CE3-CB 4.42Å; W81-A102 HydrophobicContact CG-CB 4.19Å; W81-A102 HydrophobicContact CH2-CB 4.34Å; W81-A102 HydrophobicContact CZ2-CB 3.72Å; A102-V104 VanDerWaalsContact C-N 3.3Å; A102-V104 PolarHBondContact O-N 3.07Å; A102-V105 PolarHBondContact O-N 3.08Å
103	T	95.3	Very high	86.8	Confident	118 Å²	118	72.7 Å²	72.7	72%	0.724	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-69.4	-21.5	-178	56.4	0	0	0	0	114.1	P101 V105	P101-T103 PolarHBondContact O-N 3.07Å; T103-V105 VanDerWaalsContact C-N 3.34Å
104	V	96.9	Very high	88.4	Confident	11 Å²	11	71.9 Å²	71.9	7%	0.067	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-89.3	-3	-178.4	-58.1	0	0	0	0	113	A45 V46 D47 F49 I59 F100 P101 A102	A45-V104 CarbonylContact C-O 3.56Å; A45-V104 WeakPolarHBondContact CA-O 3.49Å; V46-V104 WeakPolarHBondContact CG2-O 3.25Å; V46-V104 PolarHBondContact N-O 3.28Å; D47-V104 HydrophobicContact CB-CB 4.37Å; D47-V104 HydrophobicContact CB-CG1 4.36Å; D47-V104 PolarHBondContact N-O 3.13Å; F49-V104 HydrophobicContact CB-CB 4.39Å; F49-V104 HydrophobicContact CB-CG1 4.22Å; F49-V104 HydrophobicContact CB-CG2 3.98Å; F49-V104 HydrophobicContact CG-CG2 4.45Å; I59-V104 HydrophobicContact CD1-CG2 4.49Å; F100-V104 HydrophobicContact CD2-CG2 4.43Å; P101-V104 HydrophobicContact CG-CG1 3.83Å; P101-V104 HydrophobicContact CG-CG2 3.99Å; P101-V104 VanDerWaalsContact O-CG2 3.25Å; P101-V104 WeakPolarHBondContact O-CG2 3.08Å; P101-V104 PolarHBondContact O-N 3.14Å; A102-V104 VanDerWaalsContact C-N 3.3Å; A102-V104 PolarHBondContact O-N 3.07Å
105	V	96.8	Very high	89.8	Confident	11 Å²	11	70.1 Å²	70.1	7%	0.067	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	154.4	176.6	-57.6	0	0	0	0	111.2	A43 T44 I59 V65 W81 F100 A102 T103	A43-V105 HydrophobicContact CB-CB 3.85Å; A43-V105 HydrophobicContact CB-CG2 3.93Å; T44-V105 CarbonylContact O-C 3.53Å; T44-V105 WeakPolarHBondContact O-CA 2.99Å; I59-V105 HydrophobicContact CD1-CG1 4.42Å; V65-V105 HydrophobicContact CG2-CG1 4.39Å; W81-V105 HydrophobicContact CE3-CG2 3.9Å; W81-V105 HydrophobicContact CZ3-CG2 3.78Å; F100-V105 HydrophobicContact CD2-CG1 3.98Å; F100-V105 HydrophobicContact CD2-CG2 4.31Å; F100-V105 HydrophobicContact CE2-CB 4.41Å; F100-V105 HydrophobicContact CE2-CG1 3.77Å; F100-V105 HydrophobicContact CE2-CG2 3.7Å; A102-V105 PolarHBondContact O-N 3.08Å; T103-V105 VanDerWaalsContact C-N 3.34Å
106	K	97.2	Very high	91	Very high	146 Å²	146	71.9 Å²	71.9	64%	0.635	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.7	120.4	168.2	-176.3	176.8	-178.4	179.5	0	108.7	A43 T44 V46 T108	A43-K106 CarbonylContact C-O 3.54Å; A43-K106 VanDerWaalsContact CA-O 3.27Å; A43-K106 WeakPolarHBondContact CA-O 3.06Å; A43-K106 WeakPolarHBondContact CB-O 3.38Å; T44-K106 PolarHBondContact N-O 2.83Å; T44-K106 PolarHBondContact O-N 2.8Å; V46-K106 HydrophobicContact CG1-CB 3.64Å; K106-T108 PolarHBondContact O-N 2.87Å
107	E	95.1	Very high	91.7	Very high	67 Å²	67	70.7 Å²	70.7	31%	0.313	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	125.8	177	-165.5	159.3	-135	0	0	109.8	S41 K70	S41-E107 WeakPolarHBondContact CB-OE1 3.41Å; S41-E107 PolarHBondContact OG-OE1 2.94Å; K70-E107 WeakPolarHBondContact CE-OE1 3.36Å; K70-E107 IonicContact NZ-OE1 2.74Å; K70-E107 PolarHBondContact NZ-OE1 2.5Å; K70-E107 IonicContact NZ-OE2 3.29Å; K70-E107 PolarHBondContact NZ-OE2 3.33Å
108	T	94.6	Very high	91.7	Very high	71 Å²	71	73.5 Å²	73.5	44%	0.436	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	-34.2	-175.2	53	0	0	0	0	112.6	M42 T44 K106	M42-T108 PolarHBondContact O-N 3.49Å; M42-T108 PolarHBondContact O-OG1 2.87Å; M42-T108 VanDerWaalsContact O-OG1 3.09Å; T44-T108 VanDerWaalsContact OG1-CG2 3.32Å; T44-T108 WeakPolarHBondContact OG1-CG2 3.37Å; K106-T108 PolarHBondContact O-N 2.87Å
109	R	93.4	Very high	91.6	Very high	169 Å²	169	80.9 Å²	80.9	64%	0.638	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.8	131.1	177	-60.8	-169.8	-179.8	179	-2.2	110.5	S41 M42	S41-R109 CarbonylContact C-O 3.58Å; S41-R109 VanDerWaalsContact CA-O 3.23Å; S41-R109 WeakPolarHBondContact CA-O 3.14Å; S41-R109 WeakPolarHBondContact CB-O 3.29Å; M42-R109 HydrophobicContact CB-CB 4.37Å; M42-R109 HydrophobicContact CE-CB 4.28Å; M42-R109 HydrophobicContact CE-CG 3.91Å; M42-R109 PolarHBondContact N-O 3.15Å; M42-R109 PolarHBondContact O-N 2.95Å; M42-R109 VanDerWaalsContact O-N 3.12Å
110	T	93.1	Very high	91.2	Very high	71 Å²	71	79.1 Å²	79.1	44%	0.436	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	131	171.2	-53.3	0	0	0	0	108.7	T112 D113	T110-T112 WeakPolarHBondContact CG2-O 3.43Å; T110-D113 WeakPolarHBondContact CG2-OD1 3.31Å
111	F	89.1	Confident	90.6	Very high	111 Å²	111	84.4 Å²	84.4	49%	0.487	43%	0.429	S	S	.	.	S	Bend	trans	-94.8	-28.9	178.7	-60.5	-68.6	0	0	0	112.1	V39 L40 M42 Y66	V39-F111 HydrophobicContact CB-CD2 4.24Å; V39-F111 HydrophobicContact CG1-CD2 3.75Å; V39-F111 HydrophobicContact CG1-CE2 3.78Å; L40-F111 PolarHBondContact O-N 2.8Å; M42-F111 HydrophobicContact CB-CE2 3.87Å; M42-F111 HydrophobicContact CB-CZ 4.05Å; Y66-F111 HydrophobicContact CD1-CE2 4.42Å; Y66-F111 HydrophobicContact CE1-CE2 4.46Å; Y66-F111 HydrophobicContact CE1-CZ 4.5Å
112	T	83.3	Confident	89	Confident	45 Å²	45	86.7 Å²	86.7	28%	0.276	44%	0.442	S	S	.	.			trans	-141.6	127.8	-179	-92.6	0	0	0	0	110.6	L40 T110 N114	L40-T112 HydrophobicContact CD1-CG2 4.31Å; L40-T112 PolarHBondContact O-N 3.48Å; T110-T112 WeakPolarHBondContact CG2-O 3.43Å; T112-N114 HydrophobicContact CG2-CB 4.1Å; T112-N114 WeakPolarHBondContact CG2-O 3.36Å
113	D	78.5	Confident	87	Confident	140 Å²	140	89.2 Å²	89.2	75%	0.749	46%	0.459	S	S	*	.			trans	-92.3	-16.1	170.3	-68.6	-30.8	0	0	0	112.5	T110 T115	T110-D113 WeakPolarHBondContact CG2-OD1 3.31Å; D113-T115 PolarHBondContact O-N 3.44Å
114	N	82.6	Confident	84.3	Confident	136 Å²	136	88.4 Å²	88.4	73%	0.727	45%	0.454	S	S	*	.			trans	-76.1	87.4	176	-67.7	-27.1	0	0	0	110.4	T112	T112-N114 HydrophobicContact CG2-CB 4.1Å; T112-N114 WeakPolarHBondContact CG2-O 3.36Å
115	T	86.7	Confident	81.4	Confident	74 Å²	74	93.6 Å²	93.6	45%	0.454	49%	0.489	S	S	.	.			trans	-93.8	138.9	177.9	70.6	0	0	0	0	112.1	C31 L40 D113	C31-T115 CarbonylContact O-C 3.58Å; C31-T115 VanDerWaalsContact O-CA 3.3Å; C31-T115 WeakPolarHBondContact O-CA 3.06Å; L40-T115 HydrophobicContact CD1-CG2 3.85Å; D113-T115 PolarHBondContact O-N 3.44Å
116	V	91.1	Very high	78.4	Confident	52 Å²	52	98.7 Å²	98.7	32%	0.315	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	136.3	172.7	-61.7	0	0	0	0	110.7	M30 C31 D33 K118	M30-V116 WeakPolarHBondContact CA-O 3.39Å; C31-V116 HydrophobicContact CB-CG2 4.4Å; C31-V116 PolarHBondContact N-O 2.96Å; C31-V116 PolarHBondContact O-N 3.34Å; D33-V116 WeakPolarHBondContact O-CG2 3.4Å; V116-K118 HydrophobicContact CG2-CG 4.4Å
117	R	91.8	Very high	75.2	Confident	146 Å²	146	97 Å²	97	55%	0.551	52%	0.522	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.1	123.7	177.1	-170	179.4	-68.2	-169.7	-5.2	109.9	R28 K29 I72	R28-R117 HydrophobicContact CB-CG 4.47Å; R28-R117 VanDerWaalsContact CZ-CD 3.47Å; R28-R117 VanDerWaalsContact NE-CD 3.33Å; K29-R117 WeakPolarHBondContact O-CA 3.2Å; I72-R117 HydrophobicContact CD1-CG 3.79Å; I72-R117 VanDerWaalsContact CD1-NE 3.33Å
118	K	89.5	Confident	72.3	Confident	88 Å²	88	101.1 Å²	101.1	38%	0.383	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	157.3	179.7	-69.1	-68.9	-170.4	169.1	0	111.4	R28 K29 A34 V116	R28-K118 CarbonylContact C-O 3.53Å; R28-K118 VanDerWaalsContact CA-O 3.31Å; R28-K118 WeakPolarHBondContact CA-O 3.43Å; K29-K118 HydrophobicContact CG-CB 4.44Å; K29-K118 PolarHBondContact N-O 2.51Å; K29-K118 PolarHBondContact O-N 3.31Å; A34-K118 WeakPolarHBondContact O-CE 3.44Å; V116-K118 HydrophobicContact CG2-CG 4.4Å
119	Q	89.6	Confident	69.7	Low	157 Å²	157	106.2 Å²	106.2	73%	0.734	56%	0.556	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-74	139.7	171.2	-72.1	152.5	-2.6	0	0	109.3	D27 T121	D27-Q119 CarbonylContact O-C 3.59Å; D27-Q119 WeakPolarHBondContact O-CA 3.32Å; Q119-T121 PolarHBondContact O-N 3.14Å
120	T	85.7	Confident	67	Low	9 Å²	9	107.9 Å²	107.9	6%	0.055	56%	0.563	C	S	.	*	P	Polyproline II helix	trans	-75.3	122.5	172.4	-51	0	0	0	0	108.4	K24 A26 D27	K24-T120 HydrophobicContact CD-CG2 4.46Å; K24-T120 WeakPolarHBondContact CE-O 3.42Å; K24-T120 PolarHBondContact NZ-O 2.82Å; A26-T120 WeakPolarHBondContact O-CB 3.37Å; A26-T120 PolarHBondContact O-OG1 3.47Å; D27-T120 PolarHBondContact O-N 2.71Å
121	T	80.8	Confident	64.1	Low	111 Å²	111	113.9 Å²	113.9	68%	0.681	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-83.3	142.2	173.8	49.3	0	0	0	0	109.8	Q119 S123	Q119-T121 PolarHBondContact O-N 3.14Å; T121-S123 PolarHBondContact O-N 3.09Å
122	V	63.4	Low	61.3	Low	70 Å²	70	115.1 Å²	115.1	42%	0.424	60%	0.595	S	S	.	*			trans	-85.3	108.6	166.2	-154.8	0	0	0	0	105.5	K24 V124	K24-V122 HydrophobicContact CD-CG2 4.11Å; K24-V122 HydrophobicContact CG-CG2 3.96Å; V122-V124 PolarHBondContact O-N 3.41Å; V122-V124 VanDerWaalsContact O-N 3.14Å
123	S	51.8	Low	58.8	Low	71 Å²	71	121.5 Å²	121.5	50%	0.497	62%	0.619	S	S	.	*			trans	-74.1	102.9	163.3	-170.5	0	0	0	0	106	T121 C125 I138	T121-S123 PolarHBondContact O-N 3.09Å; S123-C125 PolarHBondContact O-N 3.3Å; S123-I138 WeakPolarHBondContact OG-CG2 3.34Å
124	V	39.8	Very low	56.4	Low	101 Å²	101	120.2 Å²	120.2	61%	0.612	62%	0.616	S	S	*	*			trans	-67.9	108.4	171.6	-175.9	0	0	0	0	105.6	V122 L126	V122-V124 PolarHBondContact O-N 3.41Å; V122-V124 VanDerWaalsContact O-N 3.14Å; V124-L126 HydrophobicContact CB-CG 4.44Å; V124-L126 HydrophobicContact CG1-CD2 3.92Å; V124-L126 HydrophobicContact CG1-CG 3.86Å; V124-L126 PolarHBondContact O-N 3.49Å
125	C	36.4	Very low	53.8	Low	119 Å²	119	121.9 Å²	121.9	80%	0.804	62%	0.617	S	S	*	*			trans	-68.6	83.8	169	-171.5	0	0	0	0	107.3	S123 S127	S123-C125 PolarHBondContact O-N 3.3Å; C125-S127 PolarHBondContact O-N 3.15Å; C125-S127 VanDerWaalsContact O-N 3.08Å
126	L	32.1	Very low	51.1	Low	118 Å²	118	124.4 Å²	124.4	62%	0.618	63%	0.632	S	S	*	*			trans	-72.8	100	169.4	-68.1	163.9	0	0	0	106.5	V124 F128	V124-L126 HydrophobicContact CB-CG 4.44Å; V124-L126 HydrophobicContact CG1-CD2 3.92Å; V124-L126 HydrophobicContact CG1-CG 3.86Å; V124-L126 PolarHBondContact O-N 3.49Å; L126-F128 HydrophobicContact CB-CD2 3.61Å; L126-F128 HydrophobicContact CB-CE2 3.87Å; L126-F128 HydrophobicContact CD1-CD2 4.41Å; L126-F128 HydrophobicContact CD1-CE2 4.03Å; L126-F128 HydrophobicContact CD2-CE2 4.03Å; L126-F128 HydrophobicContact CG-CD2 4.41Å; L126-F128 HydrophobicContact CG-CE2 4.19Å; L126-F128 PolarHBondContact O-N 3.35Å
127	S	30.4	Very low	48.3	Very low	112 Å²	112	128.1 Å²	128.1	78%	0.783	65%	0.65	S	S	*	*			trans	-69	75.2	167.7	173.6	0	0	0	0	109.3	C125 K129	C125-S127 PolarHBondContact O-N 3.15Å; C125-S127 VanDerWaalsContact O-N 3.08Å; S127-K129 PolarHBondContact O-N 3.45Å
128	F	34.4	Very low	45.7	Very low	153 Å²	153	126.6 Å²	126.6	67%	0.671	65%	0.652	S	S	*	*			trans	-83.2	99	170.2	-91.2	-82.2	0	0	0	109.2	L126 Y130	L126-F128 HydrophobicContact CB-CD2 3.61Å; L126-F128 HydrophobicContact CB-CE2 3.87Å; L126-F128 HydrophobicContact CD1-CD2 4.41Å; L126-F128 HydrophobicContact CD1-CE2 4.03Å; L126-F128 HydrophobicContact CD2-CE2 4.03Å; L126-F128 HydrophobicContact CG-CD2 4.41Å; L126-F128 HydrophobicContact CG-CE2 4.19Å; L126-F128 PolarHBondContact O-N 3.35Å; F128-Y130 VanDerWaalsContact C-N 3.27Å; F128-Y130 PolarHBondContact O-N 3.13Å
129	K	39.4	Very low	43	Very low	178 Å²	178	128.3 Å²	128.3	77%	0.774	67%	0.665	S	S	*	*			trans	-77	-11.4	175.1	-153.4	170.3	-179.9	-178.4	0	113.2	S127	S127-K129 PolarHBondContact O-N 3.45Å
130	Y	37.5	Very low	40.1	Very low	203 Å²	203	126.8 Å²	126.8	80%	0.796	67%	0.67	S	S	*	*	S	Bend	trans	-155.9	88.4	-178.9	-72.5	-84.1	0	0	0	112.6	F128	F128-Y130 VanDerWaalsContact C-N 3.27Å; F128-Y130 PolarHBondContact O-N 3.13Å
131	F	33	Very low	37.7	Very low	197 Å²	197	131.7 Å²	131.7	86%	0.864	70%	0.695	S	S	*	*			trans	-166.7	132.2	139.1	-141.7	-103.4	0	0	0	109.5
132	L	29.2	Very low	35.5	Very low	137 Å²	137	132.7 Å²	132.7	72%	0.717	70%	0.696	S	S	*	*			trans	-94.4	136.4	-169.5	-172.2	75	0	0	0	110
133	F	31.6	Very low	34	Very low	179 Å²	179	136 Å²	136	79%	0.785	71%	0.71	S	S	*	*			trans	71.7	126.5	169.7	-75.5	-66.3	0	0	0	115.9
134	V	27.4	Very low	33.1	Very low	114 Å²	114	139.6 Å²	139.6	69%	0.691	72%	0.722	S	S	*	*			cis	-161.6	128.1	27.7	171.9	0	0	0	0	109
135	F	27.4	Very low	32.7	Very low	171 Å²	171	141.9 Å²	141.9	75%	0.75	73%	0.728	S	S	*	*			trans	51.4	108.8	156.8	-70.7	-112.5	0	0	0	121.4
136	V	30	Very low	32.4	Very low	127 Å²	127	143.3 Å²	143.3	77%	0.77	72%	0.723	S	S	*	*				-141.4	118.8	108.1	-174.7	0	0	0	0	108	I138	V136-I138 HydrophobicContact CG1-CD1 3.66Å; V136-I138 PolarHBondContact O-N 3.11Å
137	N	33.2	Very low	32.4	Very low	130 Å²	130	145 Å²	145	70%	0.695	73%	0.73	S	S	*	*			trans	-55.4	105	165.3	-82.6	-75.9	0	0	0	109.9
138	I	36.3	Very low	32.6	Very low	114 Å²	114	147.4 Å²	147.4	59%	0.585	73%	0.727	S	S	*	*			trans	-133.4	86	146.7	-74.1	106.5	0	0	0	106.4	S123 V136 C140	S123-I138 WeakPolarHBondContact OG-CG2 3.34Å; V136-I138 HydrophobicContact CG1-CD1 3.66Å; V136-I138 PolarHBondContact O-N 3.11Å; I138-C140 PolarHBondContact O-N 2.96Å
139	L	32.9	Very low	32.5	Very low	124 Å²	124	146.9 Å²	146.9	65%	0.649	73%	0.731	S	S	*	*			trans	-46.5	127.7	154.6	-152.2	56.2	0	0	0	107.2	L141	L139-L141 HydrophobicContact CB-CB 4.25Å; L139-L141 HydrophobicContact CD2-CB 4.26Å; L139-L141 HydrophobicContact CD2-CD1 3.23Å; L139-L141 HydrophobicContact CD2-CG 4.32Å; L139-L141 HydrophobicContact CG-CB 4.11Å; L139-L141 HydrophobicContact CG-CD1 3.71Å; L139-L141 HydrophobicContact CG-CG 4.41Å; L139-L141 PolarHBondContact O-N 3.1Å
140	C	29.9	Very low	31.9	Very low	125 Å²	125	144.3 Å²	144.3	85%	0.845	73%	0.727	S	S	*	*			trans	-60.6	90.5	155.6	-102.2	0	0	0	0	106	I138	I138-C140 PolarHBondContact O-N 2.96Å
141	L	34	Very low	31.4	Very low	111 Å²	111	139 Å²	139	58%	0.581	72%	0.721	S	S	*	*			trans	-140.8	0	172.3	-125.5	154.5	0	0	0	108.6	Y82 L139	Y82-L141 WeakPolarHBondContact CE1-OXT 3.3Å; Y82-L141 VanDerWaalsContact CZ-OXT 3.25Å; Y82-L141 PolarHBondContact OH-O 2.84Å; Y82-L141 PolarHBondContact OH-OXT 3.15Å; L139-L141 HydrophobicContact CB-CB 4.25Å; L139-L141 HydrophobicContact CD2-CB 4.26Å; L139-L141 HydrophobicContact CD2-CD1 3.23Å; L139-L141 HydrophobicContact CD2-CG 4.32Å; L139-L141 HydrophobicContact CG-CB 4.11Å; L139-L141 HydrophobicContact CG-CD1 3.71Å; L139-L141 HydrophobicContact CG-CG 4.41Å; L139-L141 PolarHBondContact O-N 3.1Å

Retrieved 141 of 141 residues in 123.9 ms (Link to these results)

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