A0A087XA96_POEFO Loading...

CD79a molecule, immunoglobulin-associated alpha

AlphaFold DB , UniProt , Accession A0A087XA96, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 222 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.8	Very low	43.5	Very low	246 Å²	246	148.9 Å²	148.9	100%	1.212	81%	0.807	S	S	*	*				0	92.5	0	-64.1	-137.6	-69.6	0	0	107.7
2	G	38.4	Very low	43.6	Very low	72 Å²	72	149.8 Å²	149.8	74%	0.742	81%	0.809	S	S	*	*			trans	-107.7	116.4	179.7	0	0	0	0	0	108.8
3	V	42.1	Very low	43.6	Very low	133 Å²	133	152.2 Å²	152.2	81%	0.806	82%	0.816	S	S	*	*			trans	-87.2	108.9	180	-178.3	0	0	0	0	107.7	Q5	V3-Q5 PolarHBondContact O-N 3.24Å
4	F	42.3	Very low	43	Very low	185 Å²	185	145.4 Å²	145.4	81%	0.811	80%	0.8	S	S	*	*			trans	-77.4	107.3	169.3	-91.3	-92	0	0	0	108.9
5	Q	45.9	Very low	42.7	Very low	155 Å²	155	143.6 Å²	143.6	72%	0.724	80%	0.801	S	S	*	*			trans	-86.4	110.9	165.9	-89.9	179.1	-45.6	0	0	109.3	V3 F7	V3-Q5 PolarHBondContact O-N 3.24Å; Q5-F7 PolarHBondContact O-N 3.05Å
6	F	43.6	Very low	42.3	Very low	179 Å²	179	142.9 Å²	142.9	79%	0.785	80%	0.802	S	S	*	*			trans	-81.4	107.2	166.1	-84.1	-86.4	0	0	0	109.2
7	F	43.8	Very low	42.2	Very low	175 Å²	175	139.5 Å²	139.5	77%	0.768	80%	0.795	S	S	*	*			trans	-86.7	104	162.5	-88.7	-86.3	0	0	0	108.7	Q5 L9	Q5-F7 PolarHBondContact O-N 3.05Å; F7-L9 PolarHBondContact O-N 3.42Å
8	V	48.3	Very low	42.1	Very low	118 Å²	118	137.1 Å²	137.1	72%	0.715	79%	0.788	S	S	*	*			trans	-88	100.6	169.7	179.1	0	0	0	0	108	C10	V8-C10 PolarHBondContact O-N 3.32Å
9	L	47.1	Very low	42.5	Very low	161 Å²	161	137 Å²	137	84%	0.843	79%	0.785	S	S	*	*			trans	-81.7	93.8	168.1	-84.9	155.6	0	0	0	108.8	F7 S11	F7-L9 PolarHBondContact O-N 3.42Å; L9-S11 PolarHBondContact O-N 3.49Å
10	C	41.3	Very low	43.3	Very low	103 Å²	103	138.3 Å²	138.3	70%	0.696	78%	0.781	S	S	*	*			trans	-80.7	93.1	166.1	-84.6	0	0	0	0	109.5	V8 L12	V8-C10 PolarHBondContact O-N 3.32Å; C10-L12 VanDerWaalsContact C-N 3.31Å; C10-L12 PolarHBondContact O-N 3.42Å
11	S	46.3	Very low	44.7	Very low	111 Å²	111	138 Å²	138	78%	0.776	78%	0.778	S	S	*	*			trans	-72.4	85.7	162	52	0	0	0	0	109.6	L9 M13	L9-S11 PolarHBondContact O-N 3.49Å; S11-M13 PolarHBondContact O-N 3.01Å
12	L	44.1	Very low	46.8	Very low	159 Å²	159	127.6 Å²	127.6	83%	0.832	73%	0.727	S	S	*	*			trans	-86.4	88.7	160.1	-78.1	161.9	0	0	0	107.6	C10 G14	C10-L12 VanDerWaalsContact C-N 3.31Å; C10-L12 PolarHBondContact O-N 3.42Å; L12-G14 PolarHBondContact O-N 3.28Å
13	M	43.8	Very low	49.2	Very low	182 Å²	182	128.9 Å²	128.9	90%	0.897	72%	0.716	S	S	*	*			trans	-68	79.8	151.9	-69.2	-168.3	82.4	0	0	106.9	S11 S15	S11-M13 PolarHBondContact O-N 3.01Å; M13-S15 PolarHBondContact O-N 2.93Å; M13-S15 VanDerWaalsContact O-N 3.15Å
14	G	35.6	Very low	51.5	Low	57 Å²	57	124.4 Å²	124.4	59%	0.588	69%	0.688	S	S	*	*			trans	-72.7	97.8	164.7	0	0	0	0	0	107.2	L12 V16	L12-G14 PolarHBondContact O-N 3.28Å; G14-V16 VanDerWaalsContact C-N 3.26Å; G14-V16 PolarHBondContact O-N 3.16Å
15	S	37.5	Very low	53.8	Low	118 Å²	118	117.3 Å²	117.3	83%	0.825	66%	0.657	S	S	*	*			trans	-56	97.4	159.3	-53.6	0	0	0	0	107.1	M13 A17	M13-S15 PolarHBondContact O-N 2.93Å; M13-S15 VanDerWaalsContact O-N 3.15Å; S15-A17 PolarHBondContact O-N 2.9Å
16	V	37.3	Very low	55.9	Low	133 Å²	133	115.4 Å²	115.4	81%	0.806	66%	0.658	S	S	*	*			trans	-68.2	90.6	167.4	179.7	0	0	0	0	105.6	G14 S18	G14-V16 VanDerWaalsContact C-N 3.26Å; G14-V16 PolarHBondContact O-N 3.16Å; V16-S18 VanDerWaalsContact C-N 3.34Å; V16-S18 PolarHBondContact O-N 3.03Å
17	A	39.8	Very low	58.3	Low	84 Å²	84	107.7 Å²	107.7	69%	0.694	63%	0.625	S	S	*	*			trans	-57.9	106.4	159.7	0	0	0	0	0	105.9	S15 N19	S15-A17 PolarHBondContact O-N 2.9Å; A17-N19 PolarHBondContact O-N 3.24Å
18	S	40	Very low	60.7	Low	96 Å²	96	106 Å²	106	67%	0.671	61%	0.614	S	S	*	*			trans	-66.8	86.9	173	-176.3	0	0	0	0	107.7	V16 K20	V16-S18 VanDerWaalsContact C-N 3.34Å; V16-S18 PolarHBondContact O-N 3.03Å; S18-K20 PolarHBondContact O-N 3.44Å; S18-K20 VanDerWaalsContact O-N 3.09Å
19	N	50.2	Low	62.9	Low	136 Å²	136	105.2 Å²	105.2	73%	0.727	61%	0.611	S	S	*	*			trans	-63	107.9	156.3	-92.4	-12.5	0	0	0	105.4	A17 D21	A17-N19 PolarHBondContact O-N 3.24Å; N19-D21 VanDerWaalsContact C-N 3.27Å; N19-D21 PolarHBondContact O-N 2.95Å
20	K	58.2	Low	65.2	Low	162 Å²	162	101.9 Å²	101.9	70%	0.704	59%	0.589	S	S	*	*			trans	-68.7	95.2	168.9	-72.4	-176.2	178.5	176.4	0	106.7	S18 I22	S18-K20 PolarHBondContact O-N 3.44Å; S18-K20 VanDerWaalsContact O-N 3.09Å; K20-I22 PolarHBondContact O-N 3.3Å
21	D	72.9	Confident	67.9	Low	132 Å²	132	97.7 Å²	97.7	71%	0.706	56%	0.56	S	S	*	*			trans	-63.1	134.4	175.2	-68.1	-29.4	0	0	0	109.5	N19 L23	N19-D21 VanDerWaalsContact C-N 3.27Å; N19-D21 PolarHBondContact O-N 2.95Å; D21-L23 PolarHBondContact O-N 3.01Å
22	I	84.3	Confident	70.3	Confident	28 Å²	28	99.2 Å²	99.2	14%	0.144	55%	0.549	C	S	.	.			trans	-69.6	117.3	177.6	-59.6	176.6	0	0	0	107.6	K20 L24 Y45 T52 F107 T110	K20-I22 PolarHBondContact O-N 3.3Å; I22-L24 HydrophobicContact CG2-CD2 4.08Å; I22-L24 PolarHBondContact O-N 3.5Å; I22-Y45 HydrophobicContact CG2-CD2 4.07Å; I22-Y45 HydrophobicContact CG2-CG 4.27Å; I22-T52 HydrophobicContact CD1-CG2 4.43Å; I22-F107 HydrophobicContact CD1-CB 4.48Å; I22-F107 HydrophobicContact CD1-CD1 3.88Å; I22-F107 HydrophobicContact CD1-CE1 4.5Å; I22-F107 HydrophobicContact CD1-CG 4.37Å; I22-F107 HydrophobicContact CG2-CD1 4.41Å; I22-F107 HydrophobicContact CG2-CE1 4.04Å; I22-F107 HydrophobicContact CG2-CZ 4.45Å; I22-T110 HydrophobicContact CD1-CG2 3.89Å; I22-T110 WeakPolarHBondContact CD1-OG1 3.46Å
23	L	88.8	Confident	72.8	Confident	99 Å²	99	92.3 Å²	92.3	52%	0.518	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	107.1	176.4	-179.5	65.8	0	0	0	109.1	D21 Y45 K46	D21-L23 PolarHBondContact O-N 3.01Å; L23-Y45 CarbonylContact O-C 3.55Å; L23-Y45 VanDerWaalsContact O-CA 3.28Å; L23-Y45 WeakPolarHBondContact O-CA 3.44Å; L23-K46 HydrophobicContact CB-CB 4.24Å; L23-K46 HydrophobicContact CD2-CD 4.46Å; L23-K46 PolarHBondContact N-O 2.89Å; L23-K46 PolarHBondContact O-N 3.31Å
24	L	90.3	Very high	75.3	Confident	40 Å²	40	89.8 Å²	89.8	21%	0.209	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	135.4	177.1	-60.2	174.6	0	0	0	110.6	I22 F107 V112 Y113	I22-L24 HydrophobicContact CG2-CD2 4.08Å; I22-L24 PolarHBondContact O-N 3.5Å; L24-F107 HydrophobicContact CD2-CD2 4.48Å; L24-F107 HydrophobicContact CD2-CE1 4.36Å; L24-F107 HydrophobicContact CD2-CE2 3.48Å; L24-F107 VanDerWaalsContact CD2-CE2 3.48Å; L24-F107 HydrophobicContact CD2-CZ 3.41Å; L24-F107 VanDerWaalsContact CD2-CZ 3.41Å; L24-V112 HydrophobicContact CD1-CG1 3.84Å; L24-V112 HydrophobicContact CG-CG1 4.47Å; L24-Y113 WeakPolarHBondContact CD1-O 3.34Å
25	E	91.3	Very high	78.1	Confident	35 Å²	35	88.4 Å²	88.4	16%	0.164	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-82.6	156.1	165.4	-70.2	-158.4	169.3	0	0	110.4	D27 C44 K46 K85 H115	E25-D27 PolarHBondContact O-N 3.45Å; E25-C44 HydrophobicContact CB-CB 4.11Å; E25-C44 PolarHBondContact N-O 3.44Å; E25-K46 WeakPolarHBondContact OE1-CE 3.35Å; E25-K46 IonicContact OE1-NZ 2.61Å; E25-K46 PolarHBondContact OE1-NZ 3.26Å; E25-K85 WeakPolarHBondContact OE2-CD 3.38Å; E25-K85 WeakPolarHBondContact OE2-CE 3.27Å; E25-K85 IonicContact OE2-NZ 3.63Å; E25-K85 PolarHBondContact OE2-NZ 3.45Å; E25-H115 PolarHBondContact O-ND1 3.21Å
26	P	90.5	Very high	80.9	Confident	116 Å²	116	89 Å²	89	75%	0.753	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-64	124.4	175.8	25.7	-33.7	0	0	0	110.1
27	D	92.6	Very high	83.7	Confident	17 Å²	17	86.3 Å²	86.3	9%	0.091	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-75	158.9	172.2	-62.8	-25.9	0	0	0	109.8	E25 P29 C43 S114 H115 G116	E25-D27 PolarHBondContact O-N 3.45Å; D27-P29 WeakPolarHBondContact O-CD 3.32Å; D27-C43 WeakPolarHBondContact OD1-CA 3.38Å; D27-C43 WeakPolarHBondContact OD1-CB 3.45Å; D27-S114 WeakPolarHBondContact OD2-CB 3.4Å; D27-S114 PolarHBondContact OD2-OG 3.45Å; D27-H115 HydrophobicContact CB-CB 4.35Å; D27-H115 PolarHBondContact OD2-N 3.19Å; D27-G116 WeakPolarHBondContact OD2-CA 3.44Å; D27-G116 PolarHBondContact OD2-N 3.22Å
28	R	94.5	Very high	86.4	Confident	140 Å²	140	89.4 Å²	89.4	53%	0.528	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-66.5	118.7	168.6	-179.5	177.3	178.3	163.8	4.4	108.5	F30 L31 T117	R28-F30 VanDerWaalsContact C-N 3.31Å; R28-F30 WeakPolarHBondContact CG-O 3.42Å; R28-F30 PolarHBondContact NE-O 3.31Å; R28-F30 PolarHBondContact O-N 3.4Å; R28-L31 VanDerWaalsContact CZ-CD1 3.46Å; R28-T117 VanDerWaalsContact O-CA 3.3Å; R28-T117 WeakPolarHBondContact O-CA 3.03Å; R28-T117 WeakPolarHBondContact O-CB 2.94Å; R28-T117 WeakPolarHBondContact O-CG2 3.32Å; R28-T117 PolarHBondContact O-OG1 3.46Å
29	P	94.4	Very high	89.1	Confident	100 Å²	100	84.9 Å²	84.9	65%	0.649	40%	0.404	S	S	*	.	S	Bend	trans	-70.1	-29.1	-171.6	25.7	-34.7	0	0	0	113.1	D27 Y118	D27-P29 WeakPolarHBondContact O-CD 3.32Å; P29-Y118 PolarHBondContact O-N 2.93Å
30	F	96	Very high	91.4	Very high	91 Å²	91	82.6 Å²	82.6	40%	0.399	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	133.5	-173.5	180	-100.6	0	0	0	111.9	R28 R32 Y118 Q120	R28-F30 VanDerWaalsContact C-N 3.31Å; R28-F30 WeakPolarHBondContact CG-O 3.42Å; R28-F30 PolarHBondContact NE-O 3.31Å; R28-F30 PolarHBondContact O-N 3.4Å; F30-R32 HydrophobicContact CE1-CB 3.67Å; F30-R32 HydrophobicContact CZ-CB 3.85Å; F30-R32 HydrophobicContact CZ-CG 4.46Å; F30-Y118 WeakPolarHBondContact CA-O 3.45Å; F30-Y118 AromaticContact CD2-CD1 3.75Å; F30-Y118 HydrophobicContact CD2-CD1 3.75Å; F30-Y118 AromaticContact CE2-CD1 3.75Å; F30-Y118 HydrophobicContact CE2-CD1 3.75Å; F30-Y118 HydrophobicContact CE2-CE1 4.27Å; F30-Q120 HydrophobicContact CE2-CB 3.8Å; F30-Q120 HydrophobicContact CZ-CB 3.95Å
31	L	96.9	Very high	93.2	Very high	15 Å²	15	75 Å²	75	8%	0.079	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	125.5	174.5	179.2	64.5	0	0	0	109.3	R28 V33 A39 E40 L41 T117 Y118 L119 Q120	R28-L31 VanDerWaalsContact CZ-CD1 3.46Å; L31-V33 HydrophobicContact CD1-CG2 4.19Å; L31-V33 HydrophobicContact CD2-CG2 4Å; L31-V33 HydrophobicContact CG-CG2 3.75Å; L31-A39 HydrophobicContact CD2-CB 4.44Å; L31-E40 WeakPolarHBondContact CD2-O 3.48Å; L31-L41 HydrophobicContact CB-CD2 4.3Å; L31-L41 HydrophobicContact CD2-CD2 3.63Å; L31-L41 HydrophobicContact CD2-CG 4.41Å; L31-T117 HydrophobicContact CB-CG2 3.88Å; L31-Y118 PolarHBondContact N-O 2.99Å; L31-L119 HydrophobicContact CB-CD1 4.39Å; L31-L119 HydrophobicContact CD2-CD1 4.04Å; L31-L119 HydrophobicContact CG-CD1 4.13Å; L31-L119 CarbonylContact O-C 3.52Å; L31-L119 WeakPolarHBondContact O-CA 3.12Å; L31-Q120 PolarHBondContact O-N 3.04Å
32	R	96.6	Very high	94.2	Very high	144 Å²	144	73 Å²	73	54%	0.543	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	124.8	177.5	-173.9	177.5	176.9	-175.3	3.4	109.8	F30 Q120 F122	F30-R32 HydrophobicContact CE1-CB 3.67Å; F30-R32 HydrophobicContact CZ-CB 3.85Å; F30-R32 HydrophobicContact CZ-CG 4.46Å; R32-Q120 WeakPolarHBondContact CA-O 3.31Å; R32-Q120 HydrophobicContact CG-CB 4.45Å; R32-F122 HydrophobicContact CG-CD1 3.48Å; R32-F122 VanDerWaalsContact CG-CD1 3.48Å; R32-F122 HydrophobicContact CG-CE1 3.63Å; R32-F122 VanDerWaalsContact NE-CD1 3.26Å
33	V	96.9	Very high	94.6	Very high	13 Å²	13	71.7 Å²	71.7	8%	0.079	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	142.6	-174.1	-173	0	0	0	0	109.7	L31 D37 A39 V95 L119 Q120 V121 F122	L31-V33 HydrophobicContact CD1-CG2 4.19Å; L31-V33 HydrophobicContact CD2-CG2 4Å; L31-V33 HydrophobicContact CG-CG2 3.75Å; V33-D37 HydrophobicContact CG1-CB 3.68Å; V33-A39 HydrophobicContact CB-CB 4.39Å; V33-A39 HydrophobicContact CG1-CB 4.25Å; V33-A39 HydrophobicContact CG2-CB 3.85Å; V33-V95 HydrophobicContact CB-CG2 4.35Å; V33-V95 HydrophobicContact CG1-CG2 3.83Å; V33-L119 HydrophobicContact CB-CD1 4.31Å; V33-L119 HydrophobicContact CG2-CD1 3.77Å; V33-Q120 PolarHBondContact N-O 3.18Å; V33-V121 WeakPolarHBondContact O-CA 3.48Å; V33-F122 WeakPolarHBondContact O-CD1 3.42Å; V33-F122 PolarHBondContact O-N 3.37Å
34	R	96.3	Very high	94.8	Very high	130 Å²	130	67.3 Å²	67.3	49%	0.491	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	149.5	176.7	-170	-178.5	-69.7	-169.4	0.2	109.7	F36 D37 V95 F122 P124	R34-F36 PolarHBondContact O-N 3.1Å; R34-D37 HydrophobicContact CB-CB 4.21Å; R34-D37 VanDerWaalsContact CB-OD2 3.22Å; R34-D37 WeakPolarHBondContact CB-OD2 3.42Å; R34-D37 WeakPolarHBondContact O-CB 3.07Å; R34-D37 PolarHBondContact O-N 3.06Å; R34-D37 VanDerWaalsContact O-N 3.09Å; R34-V95 WeakPolarHBondContact O-CG2 3.45Å; R34-F122 CarbonylContact C-O 3.45Å; R34-F122 WeakPolarHBondContact CA-O 3.45Å; R34-F122 HydrophobicContact CB-CE1 4.44Å; R34-F122 HydrophobicContact CB-CZ 4.47Å; R34-P124 HydrophobicContact CG-CG 3.6Å
35	L	96	Very high	94.8	Very high	28 Å²	28	65.9 Å²	65.9	15%	0.147	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	133	167.7	-168.3	69.4	0	0	0	110.6	D37 V95 L97 V121 F122 K123	L35-D37 PolarHBondContact O-N 3Å; L35-V95 WeakPolarHBondContact CD1-O 3.22Å; L35-L97 HydrophobicContact CD1-CD2 4.04Å; L35-L97 HydrophobicContact CD1-CG 3.79Å; L35-V121 HydrophobicContact CD1-CG1 4.1Å; L35-F122 PolarHBondContact N-O 3.29Å; L35-K123 HydrophobicContact CD2-CB 4.48Å; L35-K123 HydrophobicContact CD2-CD 4.43Å; L35-K123 HydrophobicContact CD2-CG 4.43Å
36	F	95.3	Very high	94.7	Very high	129 Å²	129	67.7 Å²	67.7	57%	0.566	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.5	1.7	-178.2	-46.6	-53	0	0	0	117.6	R34 N94 V95	R34-F36 PolarHBondContact O-N 3.1Å; F36-N94 WeakPolarHBondContact CA-OD1 3.49Å; F36-N94 WeakPolarHBondContact CB-OD1 3.29Å; F36-N94 WeakPolarHBondContact CD1-OD1 3.37Å; F36-N94 PolarHBondContact O-OD1 2.95Å; F36-V95 PolarHBondContact N-O 3.19Å
37	D	96	Very high	94.2	Very high	78 Å²	78	67.3 Å²	67.3	42%	0.417	30%	0.304	S	S	.	.	S	Bend	trans	-81.5	167.8	172	-77.4	-1.7	0	0	0	111.2	V33 R34 L35 K93 V95	V33-D37 HydrophobicContact CG1-CB 3.68Å; R34-D37 HydrophobicContact CB-CB 4.21Å; R34-D37 VanDerWaalsContact CB-OD2 3.22Å; R34-D37 WeakPolarHBondContact CB-OD2 3.42Å; R34-D37 WeakPolarHBondContact O-CB 3.07Å; R34-D37 PolarHBondContact O-N 3.06Å; R34-D37 VanDerWaalsContact O-N 3.09Å; L35-D37 PolarHBondContact O-N 3Å; D37-K93 CarbonylContact C-O 3.59Å; D37-V95 WeakPolarHBondContact O-CG2 3.36Å; D37-V95 PolarHBondContact O-N 3.49Å; D37-V95 VanDerWaalsContact O-N 3.14Å
38	R	96.9	Very high	93.1	Very high	149 Å²	149	67.3 Å²	67.3	56%	0.562	31%	0.308	S	S	*	.			trans	-78.6	128.8	172.4	178.1	178.3	167.3	-179.4	-6.5	110.4	E40 I91 L92	R38-E40 IonicContact CZ-OE2 3.86Å; R38-E40 IonicContact NE-OE2 2.73Å; R38-E40 IonicContact NH2-OE2 2.7Å; R38-E40 PolarHBondContact NH2-OE2 3.48Å; R38-I91 HydrophobicContact CG-CG2 4.24Å; R38-L92 CarbonylContact C-O 3.56Å; R38-L92 VanDerWaalsContact CA-O 3.29Å; R38-L92 WeakPolarHBondContact CA-O 3.38Å
39	A	97	Very high	91.8	Very high	1 Å²	1	63.4 Å²	63.4	1%	0.008	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	141.9	168	0	0	0	0	0	110.9	L31 V33 I91 L92 V95 L119	L31-A39 HydrophobicContact CD2-CB 4.44Å; V33-A39 HydrophobicContact CB-CB 4.39Å; V33-A39 HydrophobicContact CG1-CB 4.25Å; V33-A39 HydrophobicContact CG2-CB 3.85Å; A39-I91 WeakPolarHBondContact O-CA 3.49Å; A39-L92 HydrophobicContact CB-CB 4.34Å; A39-L92 HydrophobicContact CB-CD1 4.44Å; A39-L92 PolarHBondContact N-O 2.9Å; A39-L92 PolarHBondContact O-N 3.15Å; A39-V95 HydrophobicContact CB-CG1 3.5Å; A39-V95 VanDerWaalsContact CB-CG1 3.5Å; A39-L119 HydrophobicContact CB-CD1 4.06Å; A39-L119 HydrophobicContact CB-CD2 4.37Å
40	E	96.9	Very high	90.3	Very high	88 Å²	88	63.1 Å²	63.1	41%	0.411	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	117.6	177.2	-173.3	163.5	152.2	0	0	108.8	L31 R38 F89 L90 I91	L31-E40 WeakPolarHBondContact CD2-O 3.48Å; R38-E40 IonicContact CZ-OE2 3.86Å; R38-E40 IonicContact NE-OE2 2.73Å; R38-E40 IonicContact NH2-OE2 2.7Å; R38-E40 PolarHBondContact NH2-OE2 3.48Å; E40-F89 HydrophobicContact CG-CD1 4.19Å; E40-L90 WeakPolarHBondContact CA-O 3.39Å; E40-I91 HydrophobicContact CG-CG1 4.09Å
41	L	96.1	Very high	88.8	Confident	3 Å²	3	65.5 Å²	65.5	2%	0.016	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	140.3	178	-58.4	166.9	0	0	0	107.6	L31 W56 F89 L90 L92 Y103 T117 L119	L31-L41 HydrophobicContact CB-CD2 4.3Å; L31-L41 HydrophobicContact CD2-CD2 3.63Å; L31-L41 HydrophobicContact CD2-CG 4.41Å; L41-W56 HydrophobicContact CB-CH2 3.85Å; L41-W56 HydrophobicContact CB-CZ2 4.45Å; L41-W56 HydrophobicContact CB-CZ3 4.24Å; L41-F89 CarbonylContact O-C 3.51Å; L41-F89 WeakPolarHBondContact O-CA 3.38Å; L41-L90 HydrophobicContact CB-CB 4.27Å; L41-L90 HydrophobicContact CD1-CD2 4.07Å; L41-L90 PolarHBondContact N-O 3.21Å; L41-L90 PolarHBondContact O-N 3.11Å; L41-L92 HydrophobicContact CD1-CD1 4.34Å; L41-Y103 HydrophobicContact CD1-CD1 3.87Å; L41-Y103 HydrophobicContact CD1-CD2 3.79Å; L41-Y103 HydrophobicContact CD1-CE1 4.43Å; L41-Y103 HydrophobicContact CD1-CE2 4.39Å; L41-Y103 HydrophobicContact CD1-CG 3.51Å; L41-T117 HydrophobicContact CD2-CG2 3.4Å; L41-T117 VanDerWaalsContact CD2-CG2 3.4Å; L41-L119 HydrophobicContact CD1-CD2 4.49Å
42	E	95.3	Very high	87.7	Confident	89 Å²	89	65.5 Å²	65.5	42%	0.416	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	144.9	-179.9	69.3	-179.8	169.9	0	0	110	V88 F89	E42-V88 WeakPolarHBondContact CA-O 3.16Å; E42-F89 HydrophobicContact CB-CD1 3.61Å; E42-F89 HydrophobicContact CB-CE1 3.51Å; E42-F89 HydrophobicContact CB-CZ 4.38Å; E42-F89 WeakPolarHBondContact OE2-CE1 3.37Å
43	C	93.1	Very high	87	Confident	1 Å²	1	62.6 Å²	62.6	1%	0.007	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	133.2	165.1	110.1	0	0	0	0	108.8	D27 W56 C87 V88 C105	D27-C43 WeakPolarHBondContact OD1-CA 3.38Å; D27-C43 WeakPolarHBondContact OD1-CB 3.45Å; C43-W56 HydrophobicContact CB-CH2 4.04Å; C43-W56 HydrophobicContact CB-CZ2 4.23Å; C43-C87 CarbonylContact O-C 3.34Å; C43-C87 VanDerWaalsContact O-CA 3.32Å; C43-C87 WeakPolarHBondContact O-CA 3.37Å; C43-V88 PolarHBondContact N-O 2.89Å; C43-V88 PolarHBondContact O-N 3.35Å; C43-C105 HydrophobicContact CB-CB 3.95Å; C43-C105 WeakPolarHBondContact CB-SG 3.48Å; C43-C105 WeakPolarHBondContact SG-CB 3.37Å; C43-C105 CovalentContact SG-SG 2.02Å; C43-C105 PolarHBondContact SG-SG 3.31Å
44	C	92.4	Very high	86.7	Confident	6 Å²	6	62 Å²	62	4%	0.041	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	146.2	-172	-60.6	0	0	0	0	111.9	E25 K85 Q86 C87	E25-C44 HydrophobicContact CB-CB 4.11Å; E25-C44 PolarHBondContact N-O 3.44Å; C44-K85 HydrophobicContact CB-CD 4.4Å; C44-K85 VanDerWaalsContact CB-CE 3.42Å; C44-K85 HydrophobicContact CB-CG 4.23Å; C44-K85 WeakPolarHBondContact SG-CE 3.39Å; C44-Q86 CarbonylContact C-O 3.55Å; C44-Q86 VanDerWaalsContact CA-O 3.26Å; C44-Q86 WeakPolarHBondContact CA-O 3.33Å; C44-C87 HydrophobicContact CB-CB 4.15Å; C44-C87 WeakPolarHBondContact CB-SG 3.5Å; C44-C87 WeakPolarHBondContact SG-CB 3.45Å; C44-C87 CovalentContact SG-SG 2.04Å; C44-C87 PolarHBondContact SG-SG 2.79Å
45	Y	90.4	Very high	86.4	Confident	10 Å²	10	57.7 Å²	57.7	4%	0.039	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	160.9	-178.8	64.3	-84.8	0	0	0	112.1	I22 L23 T52 V54 Q86 V88 F107	I22-Y45 HydrophobicContact CG2-CD2 4.07Å; I22-Y45 HydrophobicContact CG2-CG 4.27Å; L23-Y45 CarbonylContact O-C 3.55Å; L23-Y45 VanDerWaalsContact O-CA 3.28Å; L23-Y45 WeakPolarHBondContact O-CA 3.44Å; Y45-T52 HydrophobicContact CE2-CG2 4.5Å; Y45-V54 HydrophobicContact CE1-CG2 3.86Å; Y45-Q86 HydrophobicContact CD1-CB 4.36Å; Y45-Q86 WeakPolarHBondContact CD1-O 3.34Å; Y45-Q86 HydrophobicContact CD2-CB 4.37Å; Y45-Q86 HydrophobicContact CE1-CB 3.9Å; Y45-Q86 HydrophobicContact CE2-CB 3.92Å; Y45-Q86 PolarHBondContact N-O 2.94Å; Y45-Q86 PolarHBondContact O-N 3.46Å; Y45-Q86 PolarHBondContact OH-OE1 2.91Å; Y45-V88 HydrophobicContact CE1-CG2 4.21Å; Y45-F107 AromaticContact CD1-CE1 3.56Å; Y45-F107 HydrophobicContact CD1-CE1 3.56Å; Y45-F107 AromaticContact CD1-CZ 3.79Å; Y45-F107 HydrophobicContact CD1-CZ 3.79Å; Y45-F107 HydrophobicContact CD2-CE1 4.09Å; Y45-F107 AromaticContact CE1-CE1 3.84Å; Y45-F107 HydrophobicContact CE1-CE1 3.84Å; Y45-F107 HydrophobicContact CE1-CZ 4.4Å; Y45-F107 HydrophobicContact CE2-CE1 4.33Å; Y45-F107 AromaticContact CG-CE1 3.69Å; Y45-F107 HydrophobicContact CG-CE1 3.69Å; Y45-F107 HydrophobicContact CG-CZ 4.03Å
46	K	89.3	Confident	86.3	Confident	73 Å²	73	56.8 Å²	56.8	32%	0.317	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	157.4	177.7	-74.5	168.3	170.9	153.1	0	110.1	L23 E25 G48 K85	L23-K46 HydrophobicContact CB-CB 4.24Å; L23-K46 HydrophobicContact CD2-CD 4.46Å; L23-K46 PolarHBondContact N-O 2.89Å; L23-K46 PolarHBondContact O-N 3.31Å; E25-K46 WeakPolarHBondContact OE1-CE 3.35Å; E25-K46 IonicContact OE1-NZ 2.61Å; E25-K46 PolarHBondContact OE1-NZ 3.26Å; K46-G48 PolarHBondContact O-N 2.9Å; K46-G48 VanDerWaalsContact O-N 3.11Å; K46-K85 HydrophobicContact CG-CB 4.31Å
47	N	79.8	Confident	86.2	Confident	108 Å²	108	51.1 Å²	51.1	58%	0.578	28%	0.275	S	S	*	.	S	Bend	trans	58.7	19.4	174.8	-60.8	-24.2	0	0	0	116
48	G	69.8	Low	86	Confident	17 Å²	17	48 Å²	48	18%	0.175	26%	0.259	C	S	.	.			trans	-72	155.3	175.5	0	0	0	0	0	113.2	K46	K46-G48 PolarHBondContact O-N 2.9Å; K46-G48 VanDerWaalsContact O-N 3.11Å
49	P	66.9	Low	85.4	Confident	59 Å²	59	46 Å²	46	38%	0.383	25%	0.251	S	S	.	.			trans	-55.3	146.9	172	12.4	-19.5	0	0	0	111.4	N51 T52	P49-N51 PolarHBondContact O-N 3.19Å; P49-T52 WeakPolarHBondContact CD-OG1 3.5Å; P49-T52 WeakPolarHBondContact CG-OG1 3.47Å; P49-T52 PolarHBondContact O-N 3.08Å; P49-T52 PolarHBondContact O-OG1 3.27Å
50	A	61.6	Low	84.4	Confident	93 Å²	93	49.9 Å²	49.9	77%	0.769	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-27.2	-173.4	0	0	0	0	0	113.8
51	N	65.8	Low	82.9	Confident	142 Å²	142	50.3 Å²	50.3	76%	0.759	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.4	43.9	179.5	-63.4	-7.5	0	0	0	112	P49 N53 N109	P49-N51 PolarHBondContact O-N 3.19Å; N51-N53 PolarHBondContact O-N 3.47Å; N51-N53 VanDerWaalsContact O-N 3.1Å; N51-N109 PolarHBondContact O-ND2 2.97Å
52	T	72.5	Confident	81.4	Confident	15 Å²	15	60.7 Å²	60.7	9%	0.092	32%	0.321	C	S	.	.			trans	-68.6	107.8	175.7	-55.6	0	0	0	0	109.9	I22 Y45 P49 V54 F107	I22-T52 HydrophobicContact CD1-CG2 4.43Å; Y45-T52 HydrophobicContact CE2-CG2 4.5Å; P49-T52 WeakPolarHBondContact CD-OG1 3.5Å; P49-T52 WeakPolarHBondContact CG-OG1 3.47Å; P49-T52 PolarHBondContact O-N 3.08Å; P49-T52 PolarHBondContact O-OG1 3.27Å; T52-V54 HydrophobicContact CG2-CG2 3.86Å; T52-V54 PolarHBondContact O-N 3.19Å; T52-F107 HydrophobicContact CG2-CD1 3.59Å; T52-F107 HydrophobicContact CG2-CE1 4.28Å
53	N	83.8	Confident	80.1	Confident	83 Å²	83	60.3 Å²	60.3	44%	0.444	33%	0.325	S	S	.	.			trans	-79.4	105.4	174.9	-172.9	9.3	0	0	0	109.3	N51 N108	N51-N53 PolarHBondContact O-N 3.47Å; N51-N53 VanDerWaalsContact O-N 3.1Å; N53-N108 HydrophobicContact CB-CB 4.35Å; N53-N108 PolarHBondContact ND2-ND2 3.09Å; N53-N108 VanDerWaalsContact ND2-ND2 3.17Å; N53-N108 PolarHBondContact O-N 2.96Å
54	V	88.9	Confident	79	Confident	1 Å²	1	62.4 Å²	62.4	1%	0.006	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	128.8	179.2	-176.7	0	0	0	0	108.8	Y45 T52 V88 C105 H106 F107	Y45-V54 HydrophobicContact CE1-CG2 3.86Å; T52-V54 HydrophobicContact CG2-CG2 3.86Å; T52-V54 PolarHBondContact O-N 3.19Å; V54-V88 HydrophobicContact CB-CG2 4Å; V54-V88 HydrophobicContact CG1-CG2 4Å; V54-V88 HydrophobicContact CG2-CG2 4.32Å; V54-C105 HydrophobicContact CG1-CB 3.77Å; V54-H106 WeakPolarHBondContact CA-O 3.41Å; V54-F107 HydrophobicContact CG2-CD1 3.69Å; V54-F107 HydrophobicContact CG2-CE1 3.7Å; V54-F107 HydrophobicContact CG2-CG 4.42Å; V54-F107 HydrophobicContact CG2-CZ 4.46Å
55	T	91.6	Very high	78.4	Confident	39 Å²	39	67.2 Å²	67.2	24%	0.239	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	150.6	177	54.3	0	0	0	0	110	H106 N108	T55-H106 PolarHBondContact N-O 3.16Å; T55-H106 PolarHBondContact O-N 2.9Å; T55-H106 PolarHBondContact OG1-O 3.26Å; T55-N108 VanDerWaalsContact CG2-ND2 3.35Å; T55-N108 WeakPolarHBondContact CG2-ND2 3.46Å; T55-N108 PolarHBondContact OG1-OD1 3.28Å
56	W	93.8	Very high	78.1	Confident	8 Å²	8	69.7 Å²	69.7	3%	0.03	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	135	173.8	-77.4	91.9	0	0	0	110.4	L41 C43 V69 L90	L41-W56 HydrophobicContact CB-CH2 3.85Å; L41-W56 HydrophobicContact CB-CZ2 4.45Å; L41-W56 HydrophobicContact CB-CZ3 4.24Å; C43-W56 HydrophobicContact CB-CH2 4.04Å; C43-W56 HydrophobicContact CB-CZ2 4.23Å; W56-V69 HydrophobicContact CB-CB 3.97Å; W56-V69 HydrophobicContact CB-CG2 3.84Å; W56-V69 PolarHBondContact O-N 2.73Å; W56-L90 HydrophobicContact CB-CD2 4.09Å; W56-L90 HydrophobicContact CD2-CB 3.74Å; W56-L90 HydrophobicContact CD2-CD2 3.9Å; W56-L90 HydrophobicContact CD2-CG 4.36Å; W56-L90 VanDerWaalsContact CE2-CB 3.47Å; W56-L90 HydrophobicContact CE3-CB 4.35Å; W56-L90 HydrophobicContact CE3-CD2 4.07Å; W56-L90 HydrophobicContact CG-CB 3.99Å; W56-L90 HydrophobicContact CG-CD1 4.28Å; W56-L90 HydrophobicContact CG-CD2 3.92Å; W56-L90 HydrophobicContact CG-CG 4.3Å; W56-L90 HydrophobicContact CH2-CB 4.44Å; W56-L90 HydrophobicContact CZ2-CB 3.85Å
57	V	92.6	Very high	78	Confident	11 Å²	11	71.2 Å²	71.2	7%	0.067	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	140.1	171.6	-62.2	0	0	0	0	109.5	M66 Y67 Y103 Q104 H106 Y113	V57-M66 HydrophobicContact CG2-SD 4.47Å; V57-Y67 CarbonylContact C-O 3.47Å; V57-Y67 VanDerWaalsContact CA-O 3.3Å; V57-Y67 WeakPolarHBondContact CA-O 3.32Å; V57-Y103 WeakPolarHBondContact O-CA 3.49Å; V57-Q104 HydrophobicContact CG2-CB 3.98Å; V57-Q104 WeakPolarHBondContact CG2-O 3.29Å; V57-Q104 PolarHBondContact N-O 3.06Å; V57-Q104 PolarHBondContact O-N 3.43Å; V57-H106 HydrophobicContact CG1-CB 3.9Å; V57-H106 HydrophobicContact CG2-CB 4.27Å; V57-Y113 HydrophobicContact CG2-CD1 4.26Å; V57-Y113 HydrophobicContact CG2-CE1 4.27Å
58	N	91.3	Very high	78.5	Confident	13 Å²	13	70.3 Å²	70.3	7%	0.07	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	123.7	171.4	-177.1	-3.2	0	0	0	108.6	Y67 V69 M102 Y103	N58-Y67 PolarHBondContact N-O 2.96Å; N58-Y67 PolarHBondContact O-N 2.85Å; N58-V69 HydrophobicContact CB-CG2 4.1Å; N58-M102 WeakPolarHBondContact CA-O 3.36Å; N58-M102 PolarHBondContact OD1-N 2.9Å; N58-M102 PolarHBondContact OD1-O 3.42Å; N58-Y103 HydrophobicContact CB-CD1 4.2Å; N58-Y103 HydrophobicContact CB-CE1 4.01Å; N58-Y103 PolarHBondContact ND2-OH 3.28Å
59	R	85.4	Confident	79.5	Confident	107 Å²	107	71 Å²	71	40%	0.404	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	113.6	168.7	176.1	-177.2	-87	179.4	-6.4	108.7	M66 M102	R59-M66 HydrophobicContact CB-CG 4.43Å; R59-M66 VanDerWaalsContact NH2-CE 3.28Å; R59-M102 HydrophobicContact CB-CB 4.28Å; R59-M102 PolarHBondContact N-O 2.96Å; R59-M102 PolarHBondContact O-N 3.26Å
60	F	75.8	Confident	80.7	Confident	82 Å²	82	74.6 Å²	74.6	36%	0.36	40%	0.402	S	S	.	.			trans	-72.7	130.9	170.7	-98.1	-89.2	0	0	0	110.5	Y62 G64 Q65 Y67	F60-Y62 PolarHBondContact O-N 2.94Å; F60-Y62 VanDerWaalsContact O-N 3.16Å; F60-G64 PolarHBondContact O-N 3.17Å; F60-Q65 PolarHBondContact N-O 3.44Å; F60-Y67 HydrophobicContact CD2-CD2 4.4Å
61	S	64.5	Low	82.1	Confident	97 Å²	97	74.2 Å²	74.2	68%	0.678	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-23.9	-175.2	-170.8	0	0	0	0	114.1
62	Y	65.3	Low	83.4	Confident	220 Å²	220	70.4 Å²	70.4	86%	0.863	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-34.1	-173	-65	-76.3	0	0	0	114.1	F60	F60-Y62 PolarHBondContact O-N 2.94Å; F60-Y62 VanDerWaalsContact O-N 3.16Å
63	T	67.3	Low	84.3	Confident	82 Å²	82	78 Å²	78	50%	0.503	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-15	-174.5	56.2	0	0	0	0	112.9	Q65	T63-Q65 PolarHBondContact O-N 3.47Å
64	G	71.3	Confident	84.7	Confident	44 Å²	44	78 Å²	78	45%	0.454	40%	0.403	S	S	.	.			trans	66.6	-3.9	-175.2	0	0	0	0	0	114.3	F60	F60-G64 PolarHBondContact O-N 3.17Å
65	Q	79.2	Confident	85	Confident	107 Å²	107	79 Å²	79	50%	0.5	41%	0.409	S	S	.	.			trans	-73.8	140.5	177.6	-74	177.3	-23.2	0	0	110.4	F60 T63 Y67	F60-Q65 PolarHBondContact N-O 3.44Å; T63-Q65 PolarHBondContact O-N 3.47Å; Q65-Y67 HydrophobicContact CB-CD2 4.39Å; Q65-Y67 HydrophobicContact CB-CE2 3.61Å; Q65-Y67 PolarHBondContact OE1-OH 3.44Å
66	M	83.9	Confident	85.1	Confident	62 Å²	62	80.5 Å²	80.5	31%	0.305	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	128.8	174.6	-65.3	-179	176.6	0	0	108.9	V57 R59 Y113	V57-M66 HydrophobicContact CG2-SD 4.47Å; R59-M66 HydrophobicContact CB-CG 4.43Å; R59-M66 VanDerWaalsContact NH2-CE 3.28Å; M66-Y113 HydrophobicContact CE-CD1 4.28Å; M66-Y113 HydrophobicContact CE-CE1 4.11Å; M66-Y113 HydrophobicContact SD-CD1 4.19Å; M66-Y113 HydrophobicContact SD-CE1 3.53Å; M66-Y113 VanDerWaalsContact SD-CE1 3.53Å
67	Y	87.5	Confident	85.1	Confident	106 Å²	106	83.2 Å²	83.2	42%	0.416	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	134.4	175.8	-64.5	-87	0	0	0	109.4	V57 N58 F60 Q65 V69	V57-Y67 CarbonylContact C-O 3.47Å; V57-Y67 VanDerWaalsContact CA-O 3.3Å; V57-Y67 WeakPolarHBondContact CA-O 3.32Å; N58-Y67 PolarHBondContact N-O 2.96Å; N58-Y67 PolarHBondContact O-N 2.85Å; F60-Y67 HydrophobicContact CD2-CD2 4.4Å; Q65-Y67 HydrophobicContact CB-CD2 4.39Å; Q65-Y67 HydrophobicContact CB-CE2 3.61Å; Q65-Y67 PolarHBondContact OE1-OH 3.44Å; Y67-V69 PolarHBondContact O-N 3.49Å
68	P	89.6	Confident	85.1	Confident	88 Å²	88	86.8 Å²	86.8	57%	0.571	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.1	137.8	170.6	27.7	-33	0	0	0	109.2	N70	P68-N70 PolarHBondContact O-N 2.96Å
69	V	91.6	Very high	85.1	Confident	31 Å²	31	91.9 Å²	91.9	19%	0.188	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-73.6	120.5	175.3	178.3	0	0	0	0	108.3	W56 N58 Y67 L71 V75 L90 Y103	W56-V69 HydrophobicContact CB-CB 3.97Å; W56-V69 HydrophobicContact CB-CG2 3.84Å; W56-V69 PolarHBondContact O-N 2.73Å; N58-V69 HydrophobicContact CB-CG2 4.1Å; Y67-V69 PolarHBondContact O-N 3.49Å; V69-L71 PolarHBondContact O-N 3.46Å; V69-V75 HydrophobicContact CG1-CG1 3.86Å; V69-L90 HydrophobicContact CG1-CD1 4.15Å; V69-L90 HydrophobicContact CG1-CD2 4.21Å; V69-L90 HydrophobicContact CG2-CD2 4.34Å; V69-Y103 HydrophobicContact CG2-CD1 4.05Å; V69-Y103 HydrophobicContact CG2-CE1 3.95Å
70	N	91.1	Very high	85.3	Confident	135 Å²	135	89.5 Å²	89.5	72%	0.722	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-74.4	118	176.2	-68.6	-29.2	0	0	0	109.8	P68	P68-N70 PolarHBondContact O-N 2.96Å
71	L	91.9	Very high	85.9	Confident	85 Å²	85	93.2 Å²	93.2	45%	0.445	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-76.6	139.2	176.2	-57.4	175.5	0	0	0	110.2	V69 V75 Q77 L90	V69-L71 PolarHBondContact O-N 3.46Å; L71-V75 CarbonylContact C-O 3.56Å; L71-V75 VanDerWaalsContact CA-O 3.31Å; L71-V75 WeakPolarHBondContact CA-O 3.26Å; L71-Q77 HydrophobicContact CD1-CG 3.94Å; L71-Q77 HydrophobicContact CD2-CB 4.3Å; L71-Q77 HydrophobicContact CD2-CG 4.41Å; L71-L90 HydrophobicContact CD2-CD1 4.33Å
72	S	93.1	Very high	86.9	Confident	63 Å²	63	92 Å²	92	44%	0.441	47%	0.47	S	S	.	.			trans	-150.2	-176.9	-179	70	0	0	0	0	110.4	E74 V75	S72-E74 PolarHBondContact O-N 3.47Å; S72-E74 PolarHBondContact OG-N 3.21Å; S72-V75 PolarHBondContact N-O 3.44Å; S72-V75 CarbonylContact O-C 3.55Å; S72-V75 PolarHBondContact O-N 2.86Å; S72-V75 PolarHBondContact OG-N 3.41Å; S72-V75 VanDerWaalsContact OG-N 3.17Å
73	E	90.8	Very high	87.7	Confident	174 Å²	174	89.3 Å²	89.3	81%	0.813	47%	0.471	S	S	*	.	S	Bend	trans	-66.2	-25.9	173.1	-63	-174.8	177.7	0	0	113.3	K93	E73-K93 WeakPolarHBondContact O-CE 3.49Å; E73-K93 PolarHBondContact O-NZ 2.67Å
74	E	92.3	Very high	88.4	Confident	83 Å²	83	87.8 Å²	87.8	39%	0.388	47%	0.472	S	S	.	.	S	Bend	trans	-85.2	-30.1	177	-64.1	-168	155.7	0	0	112.3	S72 K93 K96	S72-E74 PolarHBondContact O-N 3.47Å; S72-E74 PolarHBondContact OG-N 3.21Å; E74-K93 PolarHBondContact O-N 3.4Å; E74-K96 IonicContact OE2-NZ 2.86Å; E74-K96 PolarHBondContact OE2-NZ 3.07Å
75	V	94.7	Very high	89.3	Confident	22 Å²	22	88.9 Å²	88.9	13%	0.133	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	106.4	-175.7	-179.1	0	0	0	0	109.8	V69 L71 S72 L90 I91 L92	V69-V75 HydrophobicContact CG1-CG1 3.86Å; L71-V75 CarbonylContact C-O 3.56Å; L71-V75 VanDerWaalsContact CA-O 3.31Å; L71-V75 WeakPolarHBondContact CA-O 3.26Å; S72-V75 PolarHBondContact N-O 3.44Å; S72-V75 CarbonylContact O-C 3.55Å; S72-V75 PolarHBondContact O-N 2.86Å; S72-V75 PolarHBondContact OG-N 3.41Å; S72-V75 VanDerWaalsContact OG-N 3.17Å; V75-L90 HydrophobicContact CG1-CD1 3.74Å; V75-I91 WeakPolarHBondContact CA-O 3.37Å; V75-L92 HydrophobicContact CG1-CG 4.21Å; V75-L92 HydrophobicContact CG2-CD2 4.35Å; V75-L92 HydrophobicContact CG2-CG 4.08Å
76	F	94.3	Very high	89.8	Confident	71 Å²	71	85.6 Å²	85.6	31%	0.311	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	162.4	-174.3	64.9	-81.1	0	0	0	111.7	I91 K93	F76-I91 HydrophobicContact CD1-CB 4.35Å; F76-I91 HydrophobicContact CD1-CG2 4.48Å; F76-I91 HydrophobicContact CD2-CB 4.47Å; F76-I91 HydrophobicContact CD2-CD1 4.36Å; F76-I91 HydrophobicContact CE1-CB 3.84Å; F76-I91 HydrophobicContact CE1-CG2 3.58Å; F76-I91 HydrophobicContact CE2-CB 4.02Å; F76-I91 HydrophobicContact CE2-CD1 3.53Å; F76-I91 HydrophobicContact CE2-CG1 4.36Å; F76-I91 HydrophobicContact CE2-CG2 4.33Å; F76-I91 HydrophobicContact CZ-CB 3.68Å; F76-I91 HydrophobicContact CZ-CD1 3.76Å; F76-I91 HydrophobicContact CZ-CG1 4.33Å; F76-I91 HydrophobicContact CZ-CG2 3.51Å; F76-I91 PolarHBondContact N-O 3.4Å; F76-I91 PolarHBondContact O-N 3.4Å; F76-K93 HydrophobicContact CE1-CD 4.29Å; F76-K93 HydrophobicContact CE1-CG 3.92Å
77	Q	93.4	Very high	90.2	Very high	64 Å²	64	83.2 Å²	83.2	30%	0.299	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	145	-179.5	65.5	-173.8	1.8	0	0	111.5	L71 Y79 F89	L71-Q77 HydrophobicContact CD1-CG 3.94Å; L71-Q77 HydrophobicContact CD2-CB 4.3Å; L71-Q77 HydrophobicContact CD2-CG 4.41Å; Q77-Y79 HydrophobicContact CG-CE2 4.04Å; Q77-Y79 PolarHBondContact NE2-OH 2.96Å; Q77-Y79 PolarHBondContact OE1-OH 2.87Å; Q77-F89 CarbonylContact C-O 3.32Å; Q77-F89 WeakPolarHBondContact CA-O 3.32Å
78	N	92.9	Very high	90.5	Very high	86 Å²	86	78.2 Å²	78.2	46%	0.46	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	154.3	172.7	-166.6	12	0	0	0	110.3	V88 F89 I91	N78-V88 WeakPolarHBondContact O-CA 3.43Å; N78-F89 HydrophobicContact CB-CB 4.31Å; N78-F89 PolarHBondContact N-O 3.31Å; N78-F89 PolarHBondContact O-N 3.17Å; N78-I91 HydrophobicContact CB-CD1 4.23Å
79	Y	90.9	Very high	90.7	Very high	121 Å²	121	75.4 Å²	75.4	48%	0.475	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	134.1	-178.7	-60.9	-87.3	0	0	0	109.7	Q77 C87 V88	Q77-Y79 HydrophobicContact CG-CE2 4.04Å; Q77-Y79 PolarHBondContact NE2-OH 2.96Å; Q77-Y79 PolarHBondContact OE1-OH 2.87Å; Y79-C87 WeakPolarHBondContact CA-O 3.37Å; Y79-V88 HydrophobicContact CD1-CB 4.42Å; Y79-V88 HydrophobicContact CD1-CG1 4.11Å; Y79-V88 HydrophobicContact CD1-CG2 3.88Å; Y79-V88 HydrophobicContact CE1-CB 4.37Å; Y79-V88 HydrophobicContact CE1-CG1 3.74Å; Y79-V88 HydrophobicContact CE1-CG2 3.84Å
80	S	90.3	Very high	91	Very high	57 Å²	57	74 Å²	74	40%	0.399	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	140.2	170.3	-173.3	0	0	0	0	110	C87	S80-C87 PolarHBondContact N-O 3.24Å; S80-C87 PolarHBondContact O-N 2.81Å
81	K	88.3	Confident	91.2	Very high	159 Å²	159	67.8 Å²	67.8	69%	0.691	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.9	118.3	174.5	-174	177.1	-178.8	179.5	0	108.5	K85 Q86	K81-K85 WeakPolarHBondContact CA-O 3.32Å; K81-Q86 HydrophobicContact CD-CG 4.29Å; K81-Q86 HydrophobicContact CG-CG 4.03Å
82	S	85.4	Confident	91.5	Very high	71 Å²	71	64 Å²	64	50%	0.497	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	132.7	179	-178.2	0	0	0	0	109.9	G84 K85	S82-G84 VanDerWaalsContact C-N 3.26Å; S82-G84 PolarHBondContact O-N 2.96Å; S82-G84 VanDerWaalsContact O-N 3.1Å; S82-K85 PolarHBondContact N-O 3.5Å; S82-K85 WeakPolarHBondContact O-CA 3.24Å; S82-K85 VanDerWaalsContact O-CB 3.32Å; S82-K85 WeakPolarHBondContact O-CB 3.31Å; S82-K85 PolarHBondContact O-N 3.31Å
83	N	82.9	Confident	91.6	Very high	164 Å²	164	66.3 Å²	66.3	88%	0.877	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	40.4	174.8	-62	-13.9	0	0	0	115	K85	N83-K85 PolarHBondContact O-N 3.01Å
84	G	82.1	Confident	91.8	Very high	51 Å²	51	60.8 Å²	60.8	53%	0.526	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	-0.2	-178.8	0	0	0	0	0	115.4	S82	S82-G84 VanDerWaalsContact C-N 3.26Å; S82-G84 PolarHBondContact O-N 2.96Å; S82-G84 VanDerWaalsContact O-N 3.1Å
85	K	88.3	Confident	91.9	Very high	67 Å²	67	56.9 Å²	56.9	29%	0.291	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	130.9	169.3	175.3	-179.6	166	166.4	0	109.2	E25 C44 K46 K81 S82 N83 C87	E25-K85 WeakPolarHBondContact OE2-CD 3.38Å; E25-K85 WeakPolarHBondContact OE2-CE 3.27Å; E25-K85 IonicContact OE2-NZ 3.63Å; E25-K85 PolarHBondContact OE2-NZ 3.45Å; C44-K85 HydrophobicContact CB-CD 4.4Å; C44-K85 VanDerWaalsContact CB-CE 3.42Å; C44-K85 HydrophobicContact CB-CG 4.23Å; C44-K85 WeakPolarHBondContact SG-CE 3.39Å; K46-K85 HydrophobicContact CG-CB 4.31Å; K81-K85 WeakPolarHBondContact CA-O 3.32Å; S82-K85 PolarHBondContact N-O 3.5Å; S82-K85 WeakPolarHBondContact O-CA 3.24Å; S82-K85 VanDerWaalsContact O-CB 3.32Å; S82-K85 WeakPolarHBondContact O-CB 3.31Å; S82-K85 PolarHBondContact O-N 3.31Å; N83-K85 PolarHBondContact O-N 3.01Å; K85-C87 WeakPolarHBondContact CE-SG 3.03Å
86	Q	90.7	Very high	91.9	Very high	37 Å²	37	59.8 Å²	59.8	17%	0.173	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	128.6	173.8	-71.1	175.9	-51.4	0	0	108.4	C44 Y45 K81	C44-Q86 CarbonylContact C-O 3.55Å; C44-Q86 VanDerWaalsContact CA-O 3.26Å; C44-Q86 WeakPolarHBondContact CA-O 3.33Å; Y45-Q86 HydrophobicContact CD1-CB 4.36Å; Y45-Q86 WeakPolarHBondContact CD1-O 3.34Å; Y45-Q86 HydrophobicContact CD2-CB 4.37Å; Y45-Q86 HydrophobicContact CE1-CB 3.9Å; Y45-Q86 HydrophobicContact CE2-CB 3.92Å; Y45-Q86 PolarHBondContact N-O 2.94Å; Y45-Q86 PolarHBondContact O-N 3.46Å; Y45-Q86 PolarHBondContact OH-OE1 2.91Å; K81-Q86 HydrophobicContact CD-CG 4.29Å; K81-Q86 HydrophobicContact CG-CG 4.03Å
87	C	92.1	Very high	91.8	Very high	12 Å²	12	60.9 Å²	60.9	8%	0.081	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	139.3	177.4	-63.6	0	0	0	0	110.2	C43 C44 Y79 S80 K85 F89	C43-C87 CarbonylContact O-C 3.34Å; C43-C87 VanDerWaalsContact O-CA 3.32Å; C43-C87 WeakPolarHBondContact O-CA 3.37Å; C44-C87 HydrophobicContact CB-CB 4.15Å; C44-C87 WeakPolarHBondContact CB-SG 3.5Å; C44-C87 WeakPolarHBondContact SG-CB 3.45Å; C44-C87 CovalentContact SG-SG 2.04Å; C44-C87 PolarHBondContact SG-SG 2.79Å; Y79-C87 WeakPolarHBondContact CA-O 3.37Å; S80-C87 PolarHBondContact N-O 3.24Å; S80-C87 PolarHBondContact O-N 2.81Å; K85-C87 WeakPolarHBondContact CE-SG 3.03Å; C87-F89 HydrophobicContact CB-CD2 4.43Å; C87-F89 HydrophobicContact CB-CE2 3.62Å; C87-F89 HydrophobicContact CB-CZ 3.88Å
88	V	93	Very high	91.7	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.006	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	127.5	172.7	-168.9	0	0	0	0	106.9	E42 C43 Y45 V54 N78 Y79	E42-V88 WeakPolarHBondContact CA-O 3.16Å; C43-V88 PolarHBondContact N-O 2.89Å; C43-V88 PolarHBondContact O-N 3.35Å; Y45-V88 HydrophobicContact CE1-CG2 4.21Å; V54-V88 HydrophobicContact CB-CG2 4Å; V54-V88 HydrophobicContact CG1-CG2 4Å; V54-V88 HydrophobicContact CG2-CG2 4.32Å; N78-V88 WeakPolarHBondContact O-CA 3.43Å; Y79-V88 HydrophobicContact CD1-CB 4.42Å; Y79-V88 HydrophobicContact CD1-CG1 4.11Å; Y79-V88 HydrophobicContact CD1-CG2 3.88Å; Y79-V88 HydrophobicContact CE1-CB 4.37Å; Y79-V88 HydrophobicContact CE1-CG1 3.74Å; Y79-V88 HydrophobicContact CE1-CG2 3.84Å
89	F	95.1	Very high	91.7	Very high	30 Å²	30	60 Å²	60	13%	0.132	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	135	178.3	-61.6	-91.7	0	0	0	109.3	E40 L41 E42 Q77 N78 C87 I91	E40-F89 HydrophobicContact CG-CD1 4.19Å; L41-F89 CarbonylContact O-C 3.51Å; L41-F89 WeakPolarHBondContact O-CA 3.38Å; E42-F89 HydrophobicContact CB-CD1 3.61Å; E42-F89 HydrophobicContact CB-CE1 3.51Å; E42-F89 HydrophobicContact CB-CZ 4.38Å; E42-F89 WeakPolarHBondContact OE2-CE1 3.37Å; Q77-F89 CarbonylContact C-O 3.32Å; Q77-F89 WeakPolarHBondContact CA-O 3.32Å; N78-F89 HydrophobicContact CB-CB 4.31Å; N78-F89 PolarHBondContact N-O 3.31Å; N78-F89 PolarHBondContact O-N 3.17Å; C87-F89 HydrophobicContact CB-CD2 4.43Å; C87-F89 HydrophobicContact CB-CE2 3.62Å; C87-F89 HydrophobicContact CB-CZ 3.88Å; F89-I91 HydrophobicContact CB-CG1 4.46Å
90	L	96.5	Very high	91.8	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	118.7	166.4	-179.6	66.6	0	0	0	108.4	E40 L41 W56 V69 L71 V75 L92 Y103	E40-L90 WeakPolarHBondContact CA-O 3.39Å; L41-L90 HydrophobicContact CB-CB 4.27Å; L41-L90 HydrophobicContact CD1-CD2 4.07Å; L41-L90 PolarHBondContact N-O 3.21Å; L41-L90 PolarHBondContact O-N 3.11Å; W56-L90 HydrophobicContact CB-CD2 4.09Å; W56-L90 HydrophobicContact CD2-CB 3.74Å; W56-L90 HydrophobicContact CD2-CD2 3.9Å; W56-L90 HydrophobicContact CD2-CG 4.36Å; W56-L90 VanDerWaalsContact CE2-CB 3.47Å; W56-L90 HydrophobicContact CE3-CB 4.35Å; W56-L90 HydrophobicContact CE3-CD2 4.07Å; W56-L90 HydrophobicContact CG-CB 3.99Å; W56-L90 HydrophobicContact CG-CD1 4.28Å; W56-L90 HydrophobicContact CG-CD2 3.92Å; W56-L90 HydrophobicContact CG-CG 4.3Å; W56-L90 HydrophobicContact CH2-CB 4.44Å; W56-L90 HydrophobicContact CZ2-CB 3.85Å; V69-L90 HydrophobicContact CG1-CD1 4.15Å; V69-L90 HydrophobicContact CG1-CD2 4.21Å; V69-L90 HydrophobicContact CG2-CD2 4.34Å; L71-L90 HydrophobicContact CD2-CD1 4.33Å; V75-L90 HydrophobicContact CG1-CD1 3.74Å; L90-L92 HydrophobicContact CD2-CD1 4.15Å; L90-L92 HydrophobicContact CG-CD1 3.9Å; L90-Y103 HydrophobicContact CD2-CD1 3.57Å; L90-Y103 HydrophobicContact CD2-CE1 3.83Å
91	I	96.9	Very high	91.9	Very high	6 Å²	6	53.3 Å²	53.3	3%	0.031	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	120.2	-176.1	-60.2	160.5	0	0	0	108.5	R38 A39 E40 V75 F76 N78 F89	R38-I91 HydrophobicContact CG-CG2 4.24Å; A39-I91 WeakPolarHBondContact O-CA 3.49Å; E40-I91 HydrophobicContact CG-CG1 4.09Å; V75-I91 WeakPolarHBondContact CA-O 3.37Å; F76-I91 HydrophobicContact CD1-CB 4.35Å; F76-I91 HydrophobicContact CD1-CG2 4.48Å; F76-I91 HydrophobicContact CD2-CB 4.47Å; F76-I91 HydrophobicContact CD2-CD1 4.36Å; F76-I91 HydrophobicContact CE1-CB 3.84Å; F76-I91 HydrophobicContact CE1-CG2 3.58Å; F76-I91 HydrophobicContact CE2-CB 4.02Å; F76-I91 HydrophobicContact CE2-CD1 3.53Å; F76-I91 HydrophobicContact CE2-CG1 4.36Å; F76-I91 HydrophobicContact CE2-CG2 4.33Å; F76-I91 HydrophobicContact CZ-CB 3.68Å; F76-I91 HydrophobicContact CZ-CD1 3.76Å; F76-I91 HydrophobicContact CZ-CG1 4.33Å; F76-I91 HydrophobicContact CZ-CG2 3.51Å; F76-I91 PolarHBondContact N-O 3.4Å; F76-I91 PolarHBondContact O-N 3.4Å; N78-I91 HydrophobicContact CB-CD1 4.23Å; F89-I91 HydrophobicContact CB-CG1 4.46Å
92	L	96.8	Very high	92.2	Very high	5 Å²	5	48.1 Å²	48.1	3%	0.026	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	114.4	173	-61.6	82.8	0	0	0	107.2	R38 A39 L41 V75 L90 V95 D99 L119	R38-L92 CarbonylContact C-O 3.56Å; R38-L92 VanDerWaalsContact CA-O 3.29Å; R38-L92 WeakPolarHBondContact CA-O 3.38Å; A39-L92 HydrophobicContact CB-CB 4.34Å; A39-L92 HydrophobicContact CB-CD1 4.44Å; A39-L92 PolarHBondContact N-O 2.9Å; A39-L92 PolarHBondContact O-N 3.15Å; L41-L92 HydrophobicContact CD1-CD1 4.34Å; V75-L92 HydrophobicContact CG1-CG 4.21Å; V75-L92 HydrophobicContact CG2-CD2 4.35Å; V75-L92 HydrophobicContact CG2-CG 4.08Å; L90-L92 HydrophobicContact CD2-CD1 4.15Å; L90-L92 HydrophobicContact CG-CD1 3.9Å; L92-V95 HydrophobicContact CB-CG1 3.71Å; L92-V95 HydrophobicContact CD2-CG1 4.23Å; L92-D99 HydrophobicContact CD2-CB 4.04Å; L92-L119 HydrophobicContact CD2-CD2 4.38Å
93	K	95.8	Very high	92.6	Very high	112 Å²	112	45.1 Å²	45.1	49%	0.487	24%	0.242	S	C	.	.	S	Bend	trans	-70.1	-39.6	-175.9	-70.1	178.7	-179.3	157.3	0	113.2	D37 E73 E74 F76	D37-K93 CarbonylContact C-O 3.59Å; E73-K93 WeakPolarHBondContact O-CE 3.49Å; E73-K93 PolarHBondContact O-NZ 2.67Å; E74-K93 PolarHBondContact O-N 3.4Å; F76-K93 HydrophobicContact CE1-CD 4.29Å; F76-K93 HydrophobicContact CE1-CG 3.92Å
94	N	94.6	Very high	93.2	Very high	58 Å²	58	38.3 Å²	38.3	31%	0.31	21%	0.205	S	C	.	.	S	Bend	trans	-136.7	80.4	-169.2	-170.3	18	0	0	0	109.3	F36	F36-N94 WeakPolarHBondContact CA-OD1 3.49Å; F36-N94 WeakPolarHBondContact CB-OD1 3.29Å; F36-N94 WeakPolarHBondContact CD1-OD1 3.37Å; F36-N94 PolarHBondContact O-OD1 2.95Å
95	V	95.1	Very high	93.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.18	C	C	.	.			trans	-67.9	139.2	-171.9	-63	0	0	0	0	112.6	V33 R34 L35 F36 D37 A39 L92 V121	V33-V95 HydrophobicContact CB-CG2 4.35Å; V33-V95 HydrophobicContact CG1-CG2 3.83Å; R34-V95 WeakPolarHBondContact O-CG2 3.45Å; L35-V95 WeakPolarHBondContact CD1-O 3.22Å; F36-V95 PolarHBondContact N-O 3.19Å; D37-V95 WeakPolarHBondContact O-CG2 3.36Å; D37-V95 PolarHBondContact O-N 3.49Å; D37-V95 VanDerWaalsContact O-N 3.14Å; A39-V95 HydrophobicContact CB-CG1 3.5Å; A39-V95 VanDerWaalsContact CB-CG1 3.5Å; L92-V95 HydrophobicContact CB-CG1 3.71Å; L92-V95 HydrophobicContact CD2-CG1 4.23Å; V95-V121 HydrophobicContact CB-CG1 4.19Å; V95-V121 HydrophobicContact CB-CG2 3.91Å; V95-V121 HydrophobicContact CG2-CB 4.46Å; V95-V121 HydrophobicContact CG2-CG1 3.62Å; V95-V121 HydrophobicContact CG2-CG2 3.99Å
96	K	94.9	Very high	93.8	Very high	84 Å²	84	34.4 Å²	34.4	37%	0.365	18%	0.175	S	C	.	.			trans	-107.1	157.6	176.9	-64.8	164.7	-168.6	158.6	0	109.5	E74 T98 D99 V121	E74-K96 IonicContact OE2-NZ 2.86Å; E74-K96 PolarHBondContact OE2-NZ 3.07Å; K96-T98 WeakPolarHBondContact CB-OG1 3.43Å; K96-T98 PolarHBondContact O-N 2.94Å; K96-T98 VanDerWaalsContact O-N 3.16Å; K96-D99 PolarHBondContact N-OD2 3.35Å; K96-D99 WeakPolarHBondContact O-CB 3.14Å; K96-D99 PolarHBondContact O-N 2.97Å; K96-V121 WeakPolarHBondContact O-CG2 3.49Å
97	L	92.6	Very high	93.7	Very high	93 Å²	93	32.7 Å²	32.7	49%	0.487	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-57.1	-32.8	177	-67	177.3	0	0	0	112.1	L35 D99 T100 V121	L35-L97 HydrophobicContact CD1-CD2 4.04Å; L35-L97 HydrophobicContact CD1-CG 3.79Å; L97-D99 PolarHBondContact O-N 3.32Å; L97-T100 WeakPolarHBondContact O-CB 3.32Å; L97-T100 PolarHBondContact O-N 2.95Å; L97-T100 PolarHBondContact O-OG1 3.36Å; L97-V121 HydrophobicContact CD2-CG1 4.29Å
98	T	91.3	Very high	93.2	Very high	97 Å²	97	35.4 Å²	35.4	60%	0.595	18%	0.18	S	C	*	.	G	3₁₀ helix	trans	-64.9	-19.1	176.7	51.7	0	0	0	0	114	K96 T100	K96-T98 WeakPolarHBondContact CB-OG1 3.43Å; K96-T98 PolarHBondContact O-N 2.94Å; K96-T98 VanDerWaalsContact O-N 3.16Å; T98-T100 PolarHBondContact O-N 3.3Å
99	D	92.3	Very high	92.4	Very high	34 Å²	34	40.3 Å²	40.3	18%	0.182	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-81.5	-3.8	-178.7	-54.8	-21	0	0	0	111.6	L92 K96 L97 G101 Y103 V121	L92-D99 HydrophobicContact CD2-CB 4.04Å; K96-D99 PolarHBondContact N-OD2 3.35Å; K96-D99 WeakPolarHBondContact O-CB 3.14Å; K96-D99 PolarHBondContact O-N 2.97Å; L97-D99 PolarHBondContact O-N 3.32Å; D99-G101 PolarHBondContact O-N 3.41Å; D99-Y103 VanDerWaalsContact O-CE2 3.24Å; D99-Y103 WeakPolarHBondContact O-CE2 3.14Å; D99-Y103 PolarHBondContact O-OH 3.48Å; D99-V121 HydrophobicContact CB-CG2 4.4Å
100	T	93	Very high	91.4	Very high	37 Å²	37	41 Å²	41	23%	0.227	21%	0.213	C	C	.	.			trans	-63	123.7	174.4	-61.4	0	0	0	0	110.4	L97 T98 L119 V121	L97-T100 WeakPolarHBondContact O-CB 3.32Å; L97-T100 PolarHBondContact O-N 2.95Å; L97-T100 PolarHBondContact O-OG1 3.36Å; T98-T100 PolarHBondContact O-N 3.3Å; T100-L119 VanDerWaalsContact CA-O 3.3Å; T100-L119 WeakPolarHBondContact CA-O 3.12Å; T100-L119 WeakPolarHBondContact CG2-O 3.3Å; T100-V121 PolarHBondContact OG1-N 3.29Å; T100-V121 VanDerWaalsContact OG1-N 3.15Å
101	G	92.9	Very high	90.6	Very high	2 Å²	2	50.5 Å²	50.5	2%	0.021	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.8	177.2	-175.1	0	0	0	0	0	113.7	D99 Y103 L119	D99-G101 PolarHBondContact O-N 3.41Å; G101-Y103 WeakPolarHBondContact O-CD2 3.03Å; G101-L119 PolarHBondContact N-O 3.15Å; G101-L119 VanDerWaalsContact N-O 3.1Å; G101-L119 PolarHBondContact O-N 2.87Å
102	M	93.6	Very high	90.1	Very high	50 Å²	50	52.8 Å²	52.8	25%	0.246	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	109.1	176.7	-176.8	64.4	177	0	0	109.4	N58 R59 Q104 H115 G116 T117 Y118	N58-M102 WeakPolarHBondContact CA-O 3.36Å; N58-M102 PolarHBondContact OD1-N 2.9Å; N58-M102 PolarHBondContact OD1-O 3.42Å; R59-M102 HydrophobicContact CB-CB 4.28Å; R59-M102 PolarHBondContact N-O 2.96Å; R59-M102 PolarHBondContact O-N 3.26Å; M102-Q104 HydrophobicContact CG-CG 4.39Å; M102-H115 WeakPolarHBondContact CE-O 3.37Å; M102-G116 VanDerWaalsContact CE-C 3.49Å; M102-T117 VanDerWaalsContact SD-C 3.56Å; M102-Y118 HydrophobicContact CB-CD2 4.38Å
103	Y	94.9	Very high	89.8	Confident	7 Å²	7	57 Å²	57	3%	0.027	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	130.9	-178.3	-70.4	-98.3	0	0	0	110.4	L41 V57 N58 V69 L90 D99 G101 G116 T117 L119	L41-Y103 HydrophobicContact CD1-CD1 3.87Å; L41-Y103 HydrophobicContact CD1-CD2 3.79Å; L41-Y103 HydrophobicContact CD1-CE1 4.43Å; L41-Y103 HydrophobicContact CD1-CE2 4.39Å; L41-Y103 HydrophobicContact CD1-CG 3.51Å; V57-Y103 WeakPolarHBondContact O-CA 3.49Å; N58-Y103 HydrophobicContact CB-CD1 4.2Å; N58-Y103 HydrophobicContact CB-CE1 4.01Å; N58-Y103 PolarHBondContact ND2-OH 3.28Å; V69-Y103 HydrophobicContact CG2-CD1 4.05Å; V69-Y103 HydrophobicContact CG2-CE1 3.95Å; L90-Y103 HydrophobicContact CD2-CD1 3.57Å; L90-Y103 HydrophobicContact CD2-CE1 3.83Å; D99-Y103 VanDerWaalsContact O-CE2 3.24Å; D99-Y103 WeakPolarHBondContact O-CE2 3.14Å; D99-Y103 PolarHBondContact O-OH 3.48Å; G101-Y103 WeakPolarHBondContact O-CD2 3.03Å; Y103-G116 CarbonylContact O-C 3.54Å; Y103-G116 WeakPolarHBondContact O-CA 3.12Å; Y103-T117 PolarHBondContact N-O 3.03Å; Y103-T117 PolarHBondContact O-N 2.98Å; Y103-L119 HydrophobicContact CD2-CB 3.81Å; Y103-L119 HydrophobicContact CD2-CD2 4.45Å; Y103-L119 HydrophobicContact CE2-CB 3.73Å; Y103-L119 HydrophobicContact CE2-CD2 3.78Å; Y103-L119 HydrophobicContact CE2-CG 4.35Å
104	Q	93.9	Very high	89.6	Confident	21 Å²	21	51.9 Å²	51.9	10%	0.098	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	147.5	179.5	-59.4	-177.3	-83.3	0	0	109.9	V57 M102 S114	V57-Q104 HydrophobicContact CG2-CB 3.98Å; V57-Q104 WeakPolarHBondContact CG2-O 3.29Å; V57-Q104 PolarHBondContact N-O 3.06Å; V57-Q104 PolarHBondContact O-N 3.43Å; M102-Q104 HydrophobicContact CG-CG 4.39Å; Q104-S114 PolarHBondContact NE2-O 3Å
105	C	92.3	Very high	89.5	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	132.5	165.5	-80.4	0	0	0	0	110	C43 V54 F107 Y113 S114	C43-C105 HydrophobicContact CB-CB 3.95Å; C43-C105 WeakPolarHBondContact CB-SG 3.48Å; C43-C105 WeakPolarHBondContact SG-CB 3.37Å; C43-C105 CovalentContact SG-SG 2.02Å; C43-C105 PolarHBondContact SG-SG 3.31Å; V54-C105 HydrophobicContact CG1-CB 3.77Å; C105-F107 HydrophobicContact CB-CE2 3.95Å; C105-F107 HydrophobicContact CB-CZ 4.48Å; C105-Y113 VanDerWaalsContact O-CA 3.3Å; C105-Y113 WeakPolarHBondContact O-CA 3.5Å; C105-S114 PolarHBondContact N-OG 3.44Å; C105-S114 PolarHBondContact O-N 3.25Å
106	H	90.9	Very high	89.4	Confident	37 Å²	37	54.9 Å²	54.9	17%	0.171	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	124.3	169.7	176.8	-117.4	0	0	0	109.8	V54 T55 V57 N108 Y113	V54-H106 WeakPolarHBondContact CA-O 3.41Å; T55-H106 PolarHBondContact N-O 3.16Å; T55-H106 PolarHBondContact O-N 2.9Å; T55-H106 PolarHBondContact OG1-O 3.26Å; V57-H106 HydrophobicContact CG1-CB 3.9Å; V57-H106 HydrophobicContact CG2-CB 4.27Å; H106-N108 PolarHBondContact CE1-OD1 3.24Å; H106-N108 PolarHBondContact ND1-OD1 3.44Å; H106-N108 PolarHBondContact O-N 2.99Å; H106-Y113 HydrophobicContact CB-CD1 4.06Å; H106-Y113 HydrophobicContact CB-CE1 3.89Å; H106-Y113 AromaticContact CD2-CD1 3.9Å; H106-Y113 AromaticContact CD2-CE1 3.31Å; H106-Y113 WeakPolarHBondContact CD2-CE1 3.5Å; H106-Y113 AromaticContact CD2-CZ 3.44Å; H106-Y113 VanDerWaalsContact CD2-CZ 3.44Å; H106-Y113 AromaticContact CG-CE1 3.79Å
107	F	88.6	Confident	89.5	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	89.1	-175.4	-69.8	-100.2	0	0	0	109.8	I22 L24 Y45 T52 V54 C105 N109 T110 V112	I22-F107 HydrophobicContact CD1-CB 4.48Å; I22-F107 HydrophobicContact CD1-CD1 3.88Å; I22-F107 HydrophobicContact CD1-CE1 4.5Å; I22-F107 HydrophobicContact CD1-CG 4.37Å; I22-F107 HydrophobicContact CG2-CD1 4.41Å; I22-F107 HydrophobicContact CG2-CE1 4.04Å; I22-F107 HydrophobicContact CG2-CZ 4.45Å; L24-F107 HydrophobicContact CD2-CD2 4.48Å; L24-F107 HydrophobicContact CD2-CE1 4.36Å; L24-F107 HydrophobicContact CD2-CE2 3.48Å; L24-F107 VanDerWaalsContact CD2-CE2 3.48Å; L24-F107 HydrophobicContact CD2-CZ 3.41Å; L24-F107 VanDerWaalsContact CD2-CZ 3.41Å; Y45-F107 AromaticContact CD1-CE1 3.56Å; Y45-F107 HydrophobicContact CD1-CE1 3.56Å; Y45-F107 AromaticContact CD1-CZ 3.79Å; Y45-F107 HydrophobicContact CD1-CZ 3.79Å; Y45-F107 HydrophobicContact CD2-CE1 4.09Å; Y45-F107 AromaticContact CE1-CE1 3.84Å; Y45-F107 HydrophobicContact CE1-CE1 3.84Å; Y45-F107 HydrophobicContact CE1-CZ 4.4Å; Y45-F107 HydrophobicContact CE2-CE1 4.33Å; Y45-F107 AromaticContact CG-CE1 3.69Å; Y45-F107 HydrophobicContact CG-CE1 3.69Å; Y45-F107 HydrophobicContact CG-CZ 4.03Å; T52-F107 HydrophobicContact CG2-CD1 3.59Å; T52-F107 HydrophobicContact CG2-CE1 4.28Å; V54-F107 HydrophobicContact CG2-CD1 3.69Å; V54-F107 HydrophobicContact CG2-CE1 3.7Å; V54-F107 HydrophobicContact CG2-CG 4.42Å; V54-F107 HydrophobicContact CG2-CZ 4.46Å; C105-F107 HydrophobicContact CB-CE2 3.95Å; C105-F107 HydrophobicContact CB-CZ 4.48Å; F107-N109 PolarHBondContact O-N 3.44Å; F107-T110 CarbonylContact C-O 3.54Å; F107-T110 WeakPolarHBondContact CB-OG1 3.07Å; F107-T110 CarbonylContact O-C 3.52Å; F107-T110 VanDerWaalsContact O-C 3.32Å; F107-T110 WeakPolarHBondContact O-CA 3.44Å; F107-T110 PolarHBondContact O-N 2.97Å; F107-T110 PolarHBondContact O-OG1 3.15Å; F107-V112 HydrophobicContact CD2-CG1 4.38Å; F107-V112 WeakPolarHBondContact CD2-O 3.42Å; F107-V112 PolarHBondContact N-O 3.2Å
108	N	81.2	Confident	89.6	Confident	69 Å²	69	50.6 Å²	50.6	37%	0.369	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-32.1	-165.3	-69.5	-20	0	0	0	116.7	N53 T55 H106 T110	N53-N108 HydrophobicContact CB-CB 4.35Å; N53-N108 PolarHBondContact ND2-ND2 3.09Å; N53-N108 VanDerWaalsContact ND2-ND2 3.17Å; N53-N108 PolarHBondContact O-N 2.96Å; T55-N108 VanDerWaalsContact CG2-ND2 3.35Å; T55-N108 WeakPolarHBondContact CG2-ND2 3.46Å; T55-N108 PolarHBondContact OG1-OD1 3.28Å; H106-N108 PolarHBondContact CE1-OD1 3.24Å; H106-N108 PolarHBondContact ND1-OD1 3.44Å; H106-N108 PolarHBondContact O-N 2.99Å; N108-T110 VanDerWaalsContact C-N 3.28Å; N108-T110 PolarHBondContact O-N 3.2Å
109	N	77	Confident	89.8	Confident	105 Å²	105	46 Å²	46	56%	0.561	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-10.5	179.7	-62.1	-8.8	0	0	0	113.7	N51 F107	N51-N109 PolarHBondContact O-ND2 2.97Å; F107-N109 PolarHBondContact O-N 3.44Å
110	T	74.1	Confident	90	Very high	44 Å²	44	47.5 Å²	47.5	27%	0.27	23%	0.229	S	C	.	.	S	Bend	trans	-141.7	133.7	-175	54	0	0	0	0	109	I22 F107 N108 V112	I22-T110 HydrophobicContact CD1-CG2 3.89Å; I22-T110 WeakPolarHBondContact CD1-OG1 3.46Å; F107-T110 CarbonylContact C-O 3.54Å; F107-T110 WeakPolarHBondContact CB-OG1 3.07Å; F107-T110 CarbonylContact O-C 3.52Å; F107-T110 VanDerWaalsContact O-C 3.32Å; F107-T110 WeakPolarHBondContact O-CA 3.44Å; F107-T110 PolarHBondContact O-N 2.97Å; F107-T110 PolarHBondContact O-OG1 3.15Å; N108-T110 VanDerWaalsContact C-N 3.28Å; N108-T110 PolarHBondContact O-N 3.2Å; T110-V112 PolarHBondContact O-N 3.35Å
111	K	79.6	Confident	90.1	Very high	199 Å²	199	46.2 Å²	46.2	87%	0.865	22%	0.221	S	C	*	.	S	Bend	trans	-71.6	33.1	179.9	-63.2	-177.1	179.3	-179.9	0	114.2
112	V	87.4	Confident	90.2	Very high	55 Å²	55	48.7 Å²	48.7	33%	0.333	23%	0.232	S	C	.	.			trans	-95.2	136.9	-175.6	177.5	0	0	0	0	108.8	L24 F107 T110	L24-V112 HydrophobicContact CD1-CG1 3.84Å; L24-V112 HydrophobicContact CG-CG1 4.47Å; F107-V112 HydrophobicContact CD2-CG1 4.38Å; F107-V112 WeakPolarHBondContact CD2-O 3.42Å; F107-V112 PolarHBondContact N-O 3.2Å; T110-V112 PolarHBondContact O-N 3.35Å
113	Y	89.7	Confident	90.2	Very high	94 Å²	94	52.9 Å²	52.9	37%	0.369	25%	0.249	S	C	.	.	B	Isolated β-bridge	trans	-118.2	148.5	173.7	-63.3	-91.9	0	0	0	109.2	L24 V57 M66 C105 H106	L24-Y113 WeakPolarHBondContact CD1-O 3.34Å; V57-Y113 HydrophobicContact CG2-CD1 4.26Å; V57-Y113 HydrophobicContact CG2-CE1 4.27Å; M66-Y113 HydrophobicContact CE-CD1 4.28Å; M66-Y113 HydrophobicContact CE-CE1 4.11Å; M66-Y113 HydrophobicContact SD-CD1 4.19Å; M66-Y113 HydrophobicContact SD-CE1 3.53Å; M66-Y113 VanDerWaalsContact SD-CE1 3.53Å; C105-Y113 VanDerWaalsContact O-CA 3.3Å; C105-Y113 WeakPolarHBondContact O-CA 3.5Å; H106-Y113 HydrophobicContact CB-CD1 4.06Å; H106-Y113 HydrophobicContact CB-CE1 3.89Å; H106-Y113 AromaticContact CD2-CD1 3.9Å; H106-Y113 AromaticContact CD2-CE1 3.31Å; H106-Y113 WeakPolarHBondContact CD2-CE1 3.5Å; H106-Y113 AromaticContact CD2-CZ 3.44Å; H106-Y113 VanDerWaalsContact CD2-CZ 3.44Å; H106-Y113 AromaticContact CG-CE1 3.79Å
114	S	92.2	Very high	89.9	Confident	4 Å²	4	54.9 Å²	54.9	3%	0.028	26%	0.262	C	S	.	.			trans	-74.3	165.5	171.4	80.5	0	0	0	0	112.1	D27 Q104 C105 G116	D27-S114 WeakPolarHBondContact OD2-CB 3.4Å; D27-S114 PolarHBondContact OD2-OG 3.45Å; Q104-S114 PolarHBondContact NE2-O 3Å; C105-S114 PolarHBondContact N-OG 3.44Å; C105-S114 PolarHBondContact O-N 3.25Å; S114-G116 PolarHBondContact O-N 3.25Å
115	H	92.6	Very high	89.3	Confident	117 Å²	117	61.6 Å²	61.6	54%	0.542	30%	0.297	S	S	.	.			trans	-55.9	-39.7	176.9	-56.1	96.3	0	0	0	111.2	E25 D27 M102	E25-H115 PolarHBondContact O-ND1 3.21Å; D27-H115 HydrophobicContact CB-CB 4.35Å; D27-H115 PolarHBondContact OD2-N 3.19Å; M102-H115 WeakPolarHBondContact CE-O 3.37Å
116	G	93.1	Very high	88.6	Confident	3 Å²	3	69.2 Å²	69.2	3%	0.031	33%	0.333	C	S	.	.			trans	88.3	169.5	174.9	0	0	0	0	0	115	D27 M102 Y103 S114	D27-G116 WeakPolarHBondContact OD2-CA 3.44Å; D27-G116 PolarHBondContact OD2-N 3.22Å; M102-G116 VanDerWaalsContact CE-C 3.49Å; Y103-G116 CarbonylContact O-C 3.54Å; Y103-G116 WeakPolarHBondContact O-CA 3.12Å; S114-G116 PolarHBondContact O-N 3.25Å
117	T	96	Very high	87.7	Confident	2 Å²	2	75.1 Å²	75.1	1%	0.012	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	125	-180	-56.2	0	0	0	0	109.7	R28 L31 L41 M102 Y103 L119	R28-T117 VanDerWaalsContact O-CA 3.3Å; R28-T117 WeakPolarHBondContact O-CA 3.03Å; R28-T117 WeakPolarHBondContact O-CB 2.94Å; R28-T117 WeakPolarHBondContact O-CG2 3.32Å; R28-T117 PolarHBondContact O-OG1 3.46Å; L31-T117 HydrophobicContact CB-CG2 3.88Å; L41-T117 HydrophobicContact CD2-CG2 3.4Å; L41-T117 VanDerWaalsContact CD2-CG2 3.4Å; M102-T117 VanDerWaalsContact SD-C 3.56Å; Y103-T117 PolarHBondContact N-O 3.03Å; Y103-T117 PolarHBondContact O-N 2.98Å; T117-L119 PolarHBondContact O-N 3.31Å
118	Y	95.3	Very high	86.6	Confident	85 Å²	85	81.8 Å²	81.8	33%	0.333	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	110.5	169.4	-172.1	-96	0	0	0	109.7	P29 F30 L31 M102 Q120	P29-Y118 PolarHBondContact O-N 2.93Å; F30-Y118 WeakPolarHBondContact CA-O 3.45Å; F30-Y118 AromaticContact CD2-CD1 3.75Å; F30-Y118 HydrophobicContact CD2-CD1 3.75Å; F30-Y118 AromaticContact CE2-CD1 3.75Å; F30-Y118 HydrophobicContact CE2-CD1 3.75Å; F30-Y118 HydrophobicContact CE2-CE1 4.27Å; L31-Y118 PolarHBondContact N-O 2.99Å; M102-Y118 HydrophobicContact CB-CD2 4.38Å; Y118-Q120 HydrophobicContact CD1-CB 4.38Å; Y118-Q120 HydrophobicContact CE1-CB 4.06Å
119	L	95.8	Very high	86	Confident	0 Å²	0	83.8 Å²	83.8	0%	0	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	118.3	174.6	176.3	62.6	0	0	0	109.1	L31 V33 A39 L41 L92 T100 G101 Y103 T117 V121	L31-L119 HydrophobicContact CB-CD1 4.39Å; L31-L119 HydrophobicContact CD2-CD1 4.04Å; L31-L119 HydrophobicContact CG-CD1 4.13Å; L31-L119 CarbonylContact O-C 3.52Å; L31-L119 WeakPolarHBondContact O-CA 3.12Å; V33-L119 HydrophobicContact CB-CD1 4.31Å; V33-L119 HydrophobicContact CG2-CD1 3.77Å; A39-L119 HydrophobicContact CB-CD1 4.06Å; A39-L119 HydrophobicContact CB-CD2 4.37Å; L41-L119 HydrophobicContact CD1-CD2 4.49Å; L92-L119 HydrophobicContact CD2-CD2 4.38Å; T100-L119 VanDerWaalsContact CA-O 3.3Å; T100-L119 WeakPolarHBondContact CA-O 3.12Å; T100-L119 WeakPolarHBondContact CG2-O 3.3Å; G101-L119 PolarHBondContact N-O 3.15Å; G101-L119 VanDerWaalsContact N-O 3.1Å; G101-L119 PolarHBondContact O-N 2.87Å; Y103-L119 HydrophobicContact CD2-CB 3.81Å; Y103-L119 HydrophobicContact CD2-CD2 4.45Å; Y103-L119 HydrophobicContact CE2-CB 3.73Å; Y103-L119 HydrophobicContact CE2-CD2 3.78Å; Y103-L119 HydrophobicContact CE2-CG 4.35Å; T117-L119 PolarHBondContact O-N 3.31Å; L119-V121 HydrophobicContact CD2-CG2 4.31Å; L119-V121 HydrophobicContact CG-CG2 4.15Å
120	Q	95.6	Very high	85.4	Confident	67 Å²	67	86.1 Å²	86.1	31%	0.313	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	109	172.6	-172.9	-178.4	53	0	0	110.4	F30 L31 R32 V33 Y118	F30-Q120 HydrophobicContact CE2-CB 3.8Å; F30-Q120 HydrophobicContact CZ-CB 3.95Å; L31-Q120 PolarHBondContact O-N 3.04Å; R32-Q120 WeakPolarHBondContact CA-O 3.31Å; R32-Q120 HydrophobicContact CG-CB 4.45Å; V33-Q120 PolarHBondContact N-O 3.18Å; Y118-Q120 HydrophobicContact CD1-CB 4.38Å; Y118-Q120 HydrophobicContact CE1-CB 4.06Å
121	V	95.8	Very high	85.4	Confident	9 Å²	9	87.3 Å²	87.3	6%	0.055	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	127.8	172.2	-172.7	0	0	0	0	109	V33 L35 V95 K96 L97 D99 T100 L119	V33-V121 WeakPolarHBondContact O-CA 3.48Å; L35-V121 HydrophobicContact CD1-CG1 4.1Å; V95-V121 HydrophobicContact CB-CG1 4.19Å; V95-V121 HydrophobicContact CB-CG2 3.91Å; V95-V121 HydrophobicContact CG2-CB 4.46Å; V95-V121 HydrophobicContact CG2-CG1 3.62Å; V95-V121 HydrophobicContact CG2-CG2 3.99Å; K96-V121 WeakPolarHBondContact O-CG2 3.49Å; L97-V121 HydrophobicContact CD2-CG1 4.29Å; D99-V121 HydrophobicContact CB-CG2 4.4Å; T100-V121 PolarHBondContact OG1-N 3.29Å; T100-V121 VanDerWaalsContact OG1-N 3.15Å; L119-V121 HydrophobicContact CD2-CG2 4.31Å; L119-V121 HydrophobicContact CG-CG2 4.15Å
122	F	94.8	Very high	85.3	Confident	55 Å²	55	80.6 Å²	80.6	24%	0.241	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	142.5	-179.5	76.5	-77.9	0	0	0	112.2	R32 V33 R34 L35 P124	R32-F122 HydrophobicContact CG-CD1 3.48Å; R32-F122 VanDerWaalsContact CG-CD1 3.48Å; R32-F122 HydrophobicContact CG-CE1 3.63Å; R32-F122 VanDerWaalsContact NE-CD1 3.26Å; V33-F122 WeakPolarHBondContact O-CD1 3.42Å; V33-F122 PolarHBondContact O-N 3.37Å; R34-F122 CarbonylContact C-O 3.45Å; R34-F122 WeakPolarHBondContact CA-O 3.45Å; R34-F122 HydrophobicContact CB-CE1 4.44Å; R34-F122 HydrophobicContact CB-CZ 4.47Å; L35-F122 PolarHBondContact N-O 3.29Å; F122-P124 HydrophobicContact CE2-CB 4.45Å; F122-P124 HydrophobicContact CE2-CG 4.07Å
123	K	93.9	Very high	84.9	Confident	138 Å²	138	85.1 Å²	85.1	60%	0.6	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-87.3	122	165.8	-173.3	173.5	179.2	179.3	0	108.3	L35 I125	L35-K123 HydrophobicContact CD2-CB 4.48Å; L35-K123 HydrophobicContact CD2-CD 4.43Å; L35-K123 HydrophobicContact CD2-CG 4.43Å; K123-I125 PolarHBondContact O-N 3.41Å
124	P	87.6	Confident	84.5	Confident	48 Å²	48	83.7 Å²	83.7	31%	0.312	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-59.6	135.1	173	-18.9	31.3	0	0	0	109.3	R34 F122 E126	R34-P124 HydrophobicContact CG-CG 3.6Å; F122-P124 HydrophobicContact CE2-CB 4.45Å; F122-P124 HydrophobicContact CE2-CG 4.07Å; P124-E126 PolarHBondContact O-N 3.32Å
125	I	83.1	Confident	84.1	Confident	162 Å²	162	86 Å²	86	83%	0.831	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-74.1	116.7	171.7	-59	171.4	0	0	0	106.6	K123 K127	K123-I125 PolarHBondContact O-N 3.41Å; I125-K127 PolarHBondContact O-N 2.86Å
126	E	76.1	Confident	83.7	Confident	161 Å²	161	85.5 Å²	85.5	75%	0.752	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-66	121.8	169.7	-69.4	178.3	-163.7	0	0	108.2	P124 T128	P124-E126 PolarHBondContact O-N 3.32Å; E126-T128 PolarHBondContact O-N 2.99Å
127	K	71.6	Confident	83.5	Confident	160 Å²	160	89.6 Å²	89.6	70%	0.696	46%	0.456	S	S	*	.			trans	-69.8	104.4	173.8	-67.7	176.7	-177.9	166.3	0	107	I125 I129	I125-K127 PolarHBondContact O-N 2.86Å; K127-I129 PolarHBondContact O-N 2.94Å; K127-I129 VanDerWaalsContact O-N 3.15Å
128	T	65.6	Low	83.3	Confident	140 Å²	140	96.6 Å²	96.6	86%	0.859	49%	0.486	S	S	*	.	S	Bend	trans	-63.5	-16.4	177.4	46.9	0	0	0	0	113.1	E126	E126-T128 PolarHBondContact O-N 2.99Å
129	I	68.8	Low	83.1	Confident	112 Å²	112	96.8 Å²	96.8	57%	0.574	49%	0.492	S	S	*	.	S	Bend	trans	-133.3	111.5	176.3	-39.2	176.6	0	0	0	108.6	K127 L131	K127-I129 PolarHBondContact O-N 2.94Å; K127-I129 VanDerWaalsContact O-N 3.15Å; I129-L131 HydrophobicContact CB-CG 4.07Å; I129-L131 HydrophobicContact CG2-CD1 4.28Å; I129-L131 HydrophobicContact CG2-CD2 3.55Å; I129-L131 HydrophobicContact CG2-CG 3.51Å; I129-L131 PolarHBondContact O-N 2.95Å
130	N	65.9	Low	82.9	Confident	154 Å²	154	102.5 Å²	102.5	82%	0.824	52%	0.522	S	S	*	.			trans	-74.2	69	168.5	-90.7	-30.1	0	0	0	109.4	S132	N130-S132 PolarHBondContact O-N 3.36Å
131	L	72.3	Confident	82.8	Confident	68 Å²	68	103.6 Å²	103.6	36%	0.356	53%	0.534	S	S	.	.			trans	-73.1	118.5	171.3	-65.3	175.9	0	0	0	108.6	I129 T135 K136 I139	I129-L131 HydrophobicContact CB-CG 4.07Å; I129-L131 HydrophobicContact CG2-CD1 4.28Å; I129-L131 HydrophobicContact CG2-CD2 3.55Å; I129-L131 HydrophobicContact CG2-CG 3.51Å; I129-L131 PolarHBondContact O-N 2.95Å; L131-T135 HydrophobicContact CD2-CG2 3.9Å; L131-K136 HydrophobicContact CB-CG 4.19Å; L131-I139 HydrophobicContact CD1-CD1 4.36Å
132	S	79.2	Confident	82.8	Confident	59 Å²	59	106.1 Å²	106.1	41%	0.413	56%	0.555	S	S	.	*			trans	-55.2	147.9	168.1	82.2	0	0	0	0	109.3	N130 S134 T135 K136	N130-S132 PolarHBondContact O-N 3.36Å; S132-S134 PolarHBondContact O-N 2.91Å; S132-S134 VanDerWaalsContact O-N 3.17Å; S132-S134 PolarHBondContact OG-OG 3.14Å; S132-T135 WeakPolarHBondContact O-CA 2.93Å; S132-T135 WeakPolarHBondContact O-CB 3.33Å; S132-T135 PolarHBondContact O-N 2.9Å; S132-T135 PolarHBondContact OG-N 2.9Å; S132-T135 PolarHBondContact OG-OG1 3.09Å; S132-K136 PolarHBondContact O-N 2.86Å
133	E	77.3	Confident	82.9	Confident	149 Å²	149	108.9 Å²	108.9	70%	0.696	57%	0.569	S	S	*	*	H	α-helix	trans	-55.6	-34.6	178.1	-169.9	169.9	-173.8	0	0	111.8	T135 K136 N137	E133-T135 VanDerWaalsContact C-N 3.3Å; E133-T135 PolarHBondContact O-N 2.82Å; E133-K136 WeakPolarHBondContact O-CB 3.35Å; E133-K136 PolarHBondContact O-N 3.33Å; E133-N137 PolarHBondContact O-N 2.82Å; E133-N137 VanDerWaalsContact O-N 3.15Å
134	S	81.1	Confident	83	Confident	65 Å²	65	104.2 Å²	104.2	46%	0.455	56%	0.56	S	S	.	*	H	α-helix	trans	-60.9	-36.6	173.8	81.8	0	0	0	0	113.1	S132 K138	S132-S134 PolarHBondContact O-N 2.91Å; S132-S134 VanDerWaalsContact O-N 3.17Å; S132-S134 PolarHBondContact OG-OG 3.14Å; S134-K138 VanDerWaalsContact O-CG 3.27Å; S134-K138 WeakPolarHBondContact O-CG 3.46Å; S134-K138 PolarHBondContact O-N 3.1Å; S134-K138 VanDerWaalsContact O-N 3.11Å
135	T	83.9	Confident	83.4	Confident	51 Å²	51	105.8 Å²	105.8	31%	0.313	57%	0.569	S	S	.	*	H	α-helix	trans	-70.7	-35.9	178.8	-46.7	0	0	0	0	110.9	L131 S132 E133 K138 I139	L131-T135 HydrophobicContact CD2-CG2 3.9Å; S132-T135 WeakPolarHBondContact O-CA 2.93Å; S132-T135 WeakPolarHBondContact O-CB 3.33Å; S132-T135 PolarHBondContact O-N 2.9Å; S132-T135 PolarHBondContact OG-N 2.9Å; S132-T135 PolarHBondContact OG-OG1 3.09Å; E133-T135 VanDerWaalsContact C-N 3.3Å; E133-T135 PolarHBondContact O-N 2.82Å; T135-K138 PolarHBondContact O-N 2.62Å; T135-I139 HydrophobicContact CG2-CD1 4.13Å; T135-I139 VanDerWaalsContact O-CG1 3.29Å; T135-I139 WeakPolarHBondContact O-CG1 3.14Å; T135-I139 PolarHBondContact O-N 2.7Å
136	K	85.7	Confident	84	Confident	107 Å²	107	103.4 Å²	103.4	47%	0.465	56%	0.557	S	S	.	*	H	α-helix	trans	-64.5	-46.8	176.7	-61.8	179	-176.2	176.6	0	111.6	L131 S132 E133 K138 I139 L140	L131-K136 HydrophobicContact CB-CG 4.19Å; S132-K136 PolarHBondContact O-N 2.86Å; E133-K136 WeakPolarHBondContact O-CB 3.35Å; E133-K136 PolarHBondContact O-N 3.33Å; K136-K138 VanDerWaalsContact C-N 3.28Å; K136-K138 PolarHBondContact O-N 3.3Å; K136-I139 PolarHBondContact O-N 2.61Å; K136-L140 PolarHBondContact O-N 3.15Å
137	N	87.6	Confident	85	Confident	90 Å²	90	100.9 Å²	100.9	48%	0.481	55%	0.548	S	S	.	.	H	α-helix	trans	-65.4	-35.5	179.4	-66.1	-12	0	0	0	111.3	E133 T141	E133-N137 PolarHBondContact O-N 2.82Å; E133-N137 VanDerWaalsContact O-N 3.15Å; N137-T141 WeakPolarHBondContact O-CB 3.49Å; N137-T141 PolarHBondContact O-N 2.87Å; N137-T141 PolarHBondContact O-OG1 2.88Å
138	K	91.5	Very high	86.2	Confident	149 Å²	149	98.3 Å²	98.3	65%	0.648	54%	0.541	S	S	*	.	H	α-helix	trans	-65.2	-44	173.9	-75.2	175.8	-180	-175.6	0	112.7	S134 T135 K136 T141 A142	S134-K138 VanDerWaalsContact O-CG 3.27Å; S134-K138 WeakPolarHBondContact O-CG 3.46Å; S134-K138 PolarHBondContact O-N 3.1Å; S134-K138 VanDerWaalsContact O-N 3.11Å; T135-K138 PolarHBondContact O-N 2.62Å; K136-K138 VanDerWaalsContact C-N 3.28Å; K136-K138 PolarHBondContact O-N 3.3Å; K138-T141 PolarHBondContact O-N 2.92Å; K138-A142 WeakPolarHBondContact O-CB 3.36Å; K138-A142 PolarHBondContact O-N 3.23Å
139	I	91.7	Very high	87.6	Confident	88 Å²	88	95.5 Å²	95.5	45%	0.451	52%	0.521	S	S	.	.	H	α-helix	trans	-62.1	-49.1	177.1	-68.9	164.9	0	0	0	110.1	L131 T135 K136 T141 A142 E143	L131-I139 HydrophobicContact CD1-CD1 4.36Å; T135-I139 HydrophobicContact CG2-CD1 4.13Å; T135-I139 VanDerWaalsContact O-CG1 3.29Å; T135-I139 WeakPolarHBondContact O-CG1 3.14Å; T135-I139 PolarHBondContact O-N 2.7Å; K136-I139 PolarHBondContact O-N 2.61Å; I139-T141 VanDerWaalsContact C-N 3.31Å; I139-T141 PolarHBondContact O-N 2.9Å; I139-A142 PolarHBondContact O-N 3.29Å; I139-E143 PolarHBondContact O-N 3.28Å
140	L	92.9	Very high	88.9	Confident	120 Å²	120	93.9 Å²	93.9	63%	0.628	52%	0.518	S	S	*	.	H	α-helix	trans	-59	-42.4	178.4	-174.7	68.4	0	0	0	112	K136 G144	K136-L140 PolarHBondContact O-N 3.15Å; L140-G144 PolarHBondContact O-N 2.89Å
141	T	93.3	Very high	90.3	Very high	91 Å²	91	91.2 Å²	91.2	56%	0.558	51%	0.507	S	S	*	.	H	α-helix	trans	-66.3	-42.6	177.8	-53.3	0	0	0	0	111.4	N137 K138 I139 G144 V145	N137-T141 WeakPolarHBondContact O-CB 3.49Å; N137-T141 PolarHBondContact O-N 2.87Å; N137-T141 PolarHBondContact O-OG1 2.88Å; K138-T141 PolarHBondContact O-N 2.92Å; I139-T141 VanDerWaalsContact C-N 3.31Å; I139-T141 PolarHBondContact O-N 2.9Å; T141-G144 PolarHBondContact O-N 2.77Å; T141-V145 HydrophobicContact CG2-CG2 4.49Å; T141-V145 WeakPolarHBondContact O-CG2 3.46Å; T141-V145 PolarHBondContact O-N 2.99Å
142	A	95.4	Very high	91.5	Very high	61 Å²	61	91.5 Å²	91.5	50%	0.504	51%	0.512	S	S	.	.	H	α-helix	trans	-65	-42.1	179.5	0	0	0	0	0	112	K138 I139 V145 L146	K138-A142 WeakPolarHBondContact O-CB 3.36Å; K138-A142 PolarHBondContact O-N 3.23Å; I139-A142 PolarHBondContact O-N 3.29Å; A142-V145 PolarHBondContact O-N 2.97Å; A142-L146 WeakPolarHBondContact O-CB 3.2Å; A142-L146 PolarHBondContact O-N 2.93Å
143	E	95.6	Very high	92.3	Very high	113 Å²	113	93.7 Å²	93.7	53%	0.528	52%	0.518	S	S	.	.	H	α-helix	trans	-62	-44.5	174.7	-171.6	178.1	176	0	0	111.2	I139 V145 L146 L147	I139-E143 PolarHBondContact O-N 3.28Å; E143-V145 PolarHBondContact O-N 3.3Å; E143-L146 PolarHBondContact O-N 2.82Å; E143-L147 HydrophobicContact CG-CD1 4.45Å; E143-L147 WeakPolarHBondContact O-CG 3.37Å; E143-L147 PolarHBondContact O-N 2.96Å
144	G	96.3	Very high	93.1	Very high	40 Å²	40	89.9 Å²	89.9	41%	0.412	51%	0.506	S	S	.	.	H	α-helix	trans	-61	-43.9	176	0	0	0	0	0	113.3	L140 T141 L148	L140-G144 PolarHBondContact O-N 2.89Å; T141-G144 PolarHBondContact O-N 2.77Å; G144-L148 WeakPolarHBondContact O-CB 3.5Å; G144-L148 PolarHBondContact O-N 3.16Å
145	V	96.8	Very high	93.6	Very high	82 Å²	82	89.6 Å²	89.6	50%	0.497	50%	0.504	S	S	.	.	H	α-helix	trans	-65.6	-41.2	176.9	172	0	0	0	0	111.2	T141 A142 E143 L148 L149	T141-V145 HydrophobicContact CG2-CG2 4.49Å; T141-V145 WeakPolarHBondContact O-CG2 3.46Å; T141-V145 PolarHBondContact O-N 2.99Å; A142-V145 PolarHBondContact O-N 2.97Å; E143-V145 PolarHBondContact O-N 3.3Å; V145-L148 PolarHBondContact O-N 2.89Å; V145-L149 HydrophobicContact CG1-CD1 4.09Å; V145-L149 HydrophobicContact CG1-CG 4.43Å; V145-L149 WeakPolarHBondContact O-CG 3.3Å; V145-L149 PolarHBondContact O-N 2.81Å
146	L	96.4	Very high	94.1	Very high	111 Å²	111	88.8 Å²	88.8	58%	0.581	50%	0.502	S	S	*	.	H	α-helix	trans	-61.9	-46.9	178.5	-175	66.6	0	0	0	111.2	A142 E143 L148 L149 C150	A142-L146 WeakPolarHBondContact O-CB 3.2Å; A142-L146 PolarHBondContact O-N 2.93Å; E143-L146 PolarHBondContact O-N 2.82Å; L146-L148 VanDerWaalsContact C-N 3.32Å; L146-L148 PolarHBondContact O-N 3.1Å; L146-L149 PolarHBondContact O-N 2.69Å; L146-C150 PolarHBondContact O-N 3.35Å; L146-C150 PolarHBondContact O-SG 2.96Å
147	L	96.6	Very high	94.4	Very high	108 Å²	108	86.3 Å²	86.3	57%	0.565	50%	0.498	S	S	*	.	H	α-helix	trans	-61.2	-41	176.9	-70.8	175.6	0	0	0	112	E143 C150 V151	E143-L147 HydrophobicContact CG-CD1 4.45Å; E143-L147 WeakPolarHBondContact O-CG 3.37Å; E143-L147 PolarHBondContact O-N 2.96Å; L147-C150 WeakPolarHBondContact O-CB 3.47Å; L147-C150 PolarHBondContact O-N 2.04Å; L147-V151 PolarHBondContact O-N 2.81Å
148	L	96.4	Very high	94.6	Very high	107 Å²	107	87.8 Å²	87.8	56%	0.56	51%	0.506	S	S	*	.	H	α-helix	trans	-62.9	-45.4	177.2	-168.1	155.7	0	0	0	111.2	G144 V145 L146 C150 V151 V152	G144-L148 WeakPolarHBondContact O-CB 3.5Å; G144-L148 PolarHBondContact O-N 3.16Å; V145-L148 PolarHBondContact O-N 2.89Å; L146-L148 VanDerWaalsContact C-N 3.32Å; L146-L148 PolarHBondContact O-N 3.1Å; L148-C150 VanDerWaalsContact C-N 3.32Å; L148-C150 PolarHBondContact O-N 2.84Å; L148-V151 PolarHBondContact O-N 2.83Å; L148-V151 VanDerWaalsContact O-N 3.16Å; L148-V152 HydrophobicContact CD2-CB 4.41Å; L148-V152 HydrophobicContact CD2-CG2 3.6Å; L148-V152 HydrophobicContact CG-CG2 4.34Å; L148-V152 WeakPolarHBondContact O-CG2 3.43Å; L148-V152 PolarHBondContact O-N 2.88Å
149	L	95.8	Very high	94.7	Very high	81 Å²	81	86 Å²	86	42%	0.424	50%	0.503	S	S	.	.	H	α-helix	trans	-62.4	-39.6	176.6	-71.4	174.1	0	0	0	112	V145 L146 V151 V152 I153	V145-L149 HydrophobicContact CG1-CD1 4.09Å; V145-L149 HydrophobicContact CG1-CG 4.43Å; V145-L149 WeakPolarHBondContact O-CG 3.3Å; V145-L149 PolarHBondContact O-N 2.81Å; L146-L149 PolarHBondContact O-N 2.69Å; L149-V151 PolarHBondContact O-N 3.38Å; L149-V152 PolarHBondContact O-N 2.84Å; L149-I153 HydrophobicContact CB-CD1 4.07Å; L149-I153 HydrophobicContact CD2-CD1 4.34Å; L149-I153 WeakPolarHBondContact O-CB 3.48Å; L149-I153 VanDerWaalsContact O-CG1 3.26Å; L149-I153 WeakPolarHBondContact O-CG1 3.41Å; L149-I153 PolarHBondContact O-N 3.26Å
150	C	94.8	Very high	94.7	Very high	78 Å²	78	88.9 Å²	88.9	53%	0.527	51%	0.512	S	S	.	.	H	α-helix	trans	-61.1	-25.7	176.1	-72.7	0	0	0	0	113.4	L146 L147 L148 P154	L146-C150 PolarHBondContact O-N 3.35Å; L146-C150 PolarHBondContact O-SG 2.96Å; L147-C150 WeakPolarHBondContact O-CB 3.47Å; L147-C150 PolarHBondContact O-N 2.04Å; L148-C150 VanDerWaalsContact C-N 3.32Å; L148-C150 PolarHBondContact O-N 2.84Å; C150-P154 WeakPolarHBondContact O-CD 3.26Å; C150-P154 WeakPolarHBondContact O-CG 3.24Å
151	V	96.7	Very high	94.6	Very high	97 Å²	97	89.6 Å²	89.6	59%	0.588	51%	0.51	S	S	*	.	H	α-helix	trans	-90.5	-48.2	175.4	177.8	0	0	0	0	111.1	L147 L148 L149 I153 P154 S155	L147-V151 PolarHBondContact O-N 2.81Å; L148-V151 PolarHBondContact O-N 2.83Å; L148-V151 VanDerWaalsContact O-N 3.16Å; L149-V151 PolarHBondContact O-N 3.38Å; V151-I153 PolarHBondContact O-N 2.82Å; V151-P154 WeakPolarHBondContact O-CD 3.1Å; V151-S155 WeakPolarHBondContact O-CB 3.22Å; V151-S155 PolarHBondContact O-N 2.89Å; V151-S155 PolarHBondContact O-OG 3.29Å
152	V	96.5	Very high	94.4	Very high	75 Å²	75	87.8 Å²	87.8	46%	0.455	50%	0.501	S	S	.	.	H	α-helix	trans	-66	-39.9	-173.8	172.8	0	0	0	0	112.1	L148 L149 S155 A156	L148-V152 HydrophobicContact CD2-CB 4.41Å; L148-V152 HydrophobicContact CD2-CG2 3.6Å; L148-V152 HydrophobicContact CG-CG2 4.34Å; L148-V152 WeakPolarHBondContact O-CG2 3.43Å; L148-V152 PolarHBondContact O-N 2.88Å; L149-V152 PolarHBondContact O-N 2.84Å; V152-S155 PolarHBondContact O-N 2.91Å; V152-A156 VanDerWaalsContact O-CB 3.24Å; V152-A156 WeakPolarHBondContact O-CB 3.32Å; V152-A156 PolarHBondContact O-N 2.89Å
153	I	95.2	Very high	94.1	Very high	105 Å²	105	91.4 Å²	91.4	54%	0.538	51%	0.506	S	S	.	.	H	α-helix	trans	-65.5	-51.9	-176.3	-65.5	168.1	0	0	0	111.6	L149 V151 S155 A156 S157	L149-I153 HydrophobicContact CB-CD1 4.07Å; L149-I153 HydrophobicContact CD2-CD1 4.34Å; L149-I153 WeakPolarHBondContact O-CB 3.48Å; L149-I153 VanDerWaalsContact O-CG1 3.26Å; L149-I153 WeakPolarHBondContact O-CG1 3.41Å; L149-I153 PolarHBondContact O-N 3.26Å; V151-I153 PolarHBondContact O-N 2.82Å; I153-S155 PolarHBondContact O-N 2.89Å; I153-A156 PolarHBondContact O-N 2.67Å; I153-S157 VanDerWaalsContact O-CB 3.32Å; I153-S157 WeakPolarHBondContact O-CB 3.34Å; I153-S157 PolarHBondContact O-N 2.79Å
154	P	94.5	Very high	93.8	Very high	68 Å²	68	93.5 Å²	93.5	44%	0.442	51%	0.513	S	S	.	.	H	α-helix	trans	-60.7	-42.9	174.7	-25.5	36.2	0	0	0	113	C150 V151 A156 S157 L158	C150-P154 WeakPolarHBondContact O-CD 3.26Å; C150-P154 WeakPolarHBondContact O-CG 3.24Å; V151-P154 WeakPolarHBondContact O-CD 3.1Å; P154-A156 PolarHBondContact O-N 3.5Å; P154-S157 PolarHBondContact O-N 2.86Å; P154-L158 WeakPolarHBondContact O-CG 3.46Å; P154-L158 PolarHBondContact O-N 2.77Å
155	S	93.1	Very high	93.4	Very high	60 Å²	60	97.5 Å²	97.5	42%	0.42	52%	0.521	S	S	.	.	H	α-helix	trans	-60.9	-47	178.7	-64	0	0	0	0	112	V151 V152 I153 L158 L159	V151-S155 WeakPolarHBondContact O-CB 3.22Å; V151-S155 PolarHBondContact O-N 2.89Å; V151-S155 PolarHBondContact O-OG 3.29Å; V152-S155 PolarHBondContact O-N 2.91Å; I153-S155 PolarHBondContact O-N 2.89Å; S155-L158 PolarHBondContact O-N 3.41Å; S155-L159 VanDerWaalsContact O-CG 3.31Å; S155-L159 WeakPolarHBondContact O-CG 3.06Å; S155-L159 PolarHBondContact O-N 3.17Å
156	A	93.3	Very high	92.9	Very high	33 Å²	33	97.7 Å²	97.7	27%	0.273	52%	0.519	S	S	.	.	H	α-helix	trans	-63.7	-43.9	176.9	0	0	0	0	0	111.4	V152 I153 P154 L158 L159 F160	V152-A156 VanDerWaalsContact O-CB 3.24Å; V152-A156 WeakPolarHBondContact O-CB 3.32Å; V152-A156 PolarHBondContact O-N 2.89Å; I153-A156 PolarHBondContact O-N 2.67Å; P154-A156 PolarHBondContact O-N 3.5Å; A156-L158 VanDerWaalsContact C-N 3.34Å; A156-L158 PolarHBondContact O-N 3.39Å; A156-L159 PolarHBondContact O-N 3.29Å; A156-F160 HydrophobicContact CB-CD2 4.36Å; A156-F160 HydrophobicContact CB-CE2 4.3Å; A156-F160 WeakPolarHBondContact O-CD2 3.48Å; A156-F160 PolarHBondContact O-N 3.3Å
157	S	91.5	Very high	92.6	Very high	55 Å²	55	99.4 Å²	99.4	39%	0.385	52%	0.522	S	S	.	.	H	α-helix	trans	-58.6	-43.2	178.1	-176.2	0	0	0	0	112.4	I153 P154 F160 K161	I153-S157 VanDerWaalsContact O-CB 3.32Å; I153-S157 WeakPolarHBondContact O-CB 3.34Å; I153-S157 PolarHBondContact O-N 2.79Å; P154-S157 PolarHBondContact O-N 2.86Å; S157-F160 PolarHBondContact O-N 2.93Å; S157-K161 WeakPolarHBondContact O-CG 3.43Å; S157-K161 PolarHBondContact O-N 3.47Å
158	L	92.9	Very high	92.2	Very high	121 Å²	121	98.6 Å²	98.6	63%	0.634	52%	0.518	S	S	*	.	H	α-helix	trans	-63	-46.2	174.7	-72	172.7	0	0	0	111.9	P154 S155 A156 F160 K161 S162	P154-L158 WeakPolarHBondContact O-CG 3.46Å; P154-L158 PolarHBondContact O-N 2.77Å; S155-L158 PolarHBondContact O-N 3.41Å; A156-L158 VanDerWaalsContact C-N 3.34Å; A156-L158 PolarHBondContact O-N 3.39Å; L158-F160 PolarHBondContact O-N 3.38Å; L158-K161 PolarHBondContact O-N 3.45Å; L158-S162 PolarHBondContact O-N 2.02Å
159	L	92.2	Very high	91.7	Very high	112 Å²	112	98.2 Å²	98.2	59%	0.586	51%	0.513	S	S	*	.	H	α-helix	trans	-62.6	-40.5	178	-70.6	173.1	0	0	0	112.3	S155 A156 K163	S155-L159 VanDerWaalsContact O-CG 3.31Å; S155-L159 WeakPolarHBondContact O-CG 3.06Å; S155-L159 PolarHBondContact O-N 3.17Å; A156-L159 PolarHBondContact O-N 3.29Å; L159-K163 WeakPolarHBondContact O-CB 3.04Å; L159-K163 WeakPolarHBondContact O-CG 3.28Å; L159-K163 PolarHBondContact O-N 2.86Å
160	F	92.1	Very high	91.2	Very high	149 Å²	149	99.8 Å²	99.8	65%	0.654	52%	0.52	S	S	*	.	H	α-helix	trans	-67.7	-39.6	176.8	-79.6	-65.2	0	0	0	112.4	A156 S157 L158 K164	A156-F160 HydrophobicContact CB-CD2 4.36Å; A156-F160 HydrophobicContact CB-CE2 4.3Å; A156-F160 WeakPolarHBondContact O-CD2 3.48Å; A156-F160 PolarHBondContact O-N 3.3Å; S157-F160 PolarHBondContact O-N 2.93Å; L158-F160 PolarHBondContact O-N 3.38Å; F160-K164 WeakPolarHBondContact O-CB 2.93Å; F160-K164 PolarHBondContact O-N 3.37Å
161	K	91.3	Very high	90.9	Very high	134 Å²	134	103.6 Å²	103.6	58%	0.583	53%	0.527	S	S	*	.	H	α-helix	trans	-62.5	-46.5	174.4	-76.6	-178.3	-179.8	-176.4	0	111.6	S157 L158 K164 Q165	S157-K161 WeakPolarHBondContact O-CG 3.43Å; S157-K161 PolarHBondContact O-N 3.47Å; L158-K161 PolarHBondContact O-N 3.45Å; K161-K164 WeakPolarHBondContact O-CB 3.02Å; K161-K164 PolarHBondContact O-N 2.88Å; K161-Q165 PolarHBondContact O-N 3.39Å
162	S	89.4	Confident	90.3	Very high	53 Å²	53	105 Å²	105	37%	0.371	53%	0.525	S	S	.	.	H	α-helix	trans	-59.8	-48.5	176.4	168.5	0	0	0	0	111.8	L158 K164 Q165 N166	L158-S162 PolarHBondContact O-N 2.02Å; S162-K164 VanDerWaalsContact C-N 3.26Å; S162-K164 PolarHBondContact O-N 2.84Å; S162-Q165 PolarHBondContact O-N 3.16Å; S162-N166 PolarHBondContact O-N 3.48Å; S162-N166 PolarHBondContact O-OD1 3.02Å
163	K	89.1	Confident	89.6	Confident	138 Å²	138	107.1 Å²	107.1	60%	0.6	53%	0.532	S	S	*	.	H	α-helix	trans	-60.1	-35.9	176.1	-75.5	-176.1	178.7	-176.4	0	112.7	L159 K167	L159-K163 WeakPolarHBondContact O-CB 3.04Å; L159-K163 WeakPolarHBondContact O-CG 3.28Å; L159-K163 PolarHBondContact O-N 2.86Å; K163-K167 WeakPolarHBondContact O-CB 3.39Å; K163-K167 WeakPolarHBondContact O-CG 3.19Å; K163-K167 PolarHBondContact O-N 3.04Å; K163-K167 VanDerWaalsContact O-N 3.09Å
164	K	89.6	Confident	88.9	Confident	157 Å²	157	108.2 Å²	108.2	68%	0.683	53%	0.533	S	S	*	.	H	α-helix	trans	-68.7	-42.1	177	-173.5	178.4	178.8	-179.2	0	111.5	F160 K161 S162 L168	F160-K164 WeakPolarHBondContact O-CB 2.93Å; F160-K164 PolarHBondContact O-N 3.37Å; K161-K164 WeakPolarHBondContact O-CB 3.02Å; K161-K164 PolarHBondContact O-N 2.88Å; S162-K164 VanDerWaalsContact C-N 3.26Å; S162-K164 PolarHBondContact O-N 2.84Å; K164-L168 WeakPolarHBondContact O-CB 3.43Å; K164-L168 PolarHBondContact O-N 3.18Å; K164-L168 VanDerWaalsContact O-N 3.08Å
165	Q	87.8	Confident	88.1	Confident	123 Å²	123	110.6 Å²	110.6	58%	0.575	54%	0.538	S	S	*	.	H	α-helix	trans	-62.5	-51.7	175.4	-75.9	172.5	-38.7	0	0	111.1	K161 S162 K167 L168 E169	K161-Q165 PolarHBondContact O-N 3.39Å; S162-Q165 PolarHBondContact O-N 3.16Å; Q165-K167 VanDerWaalsContact C-N 3.31Å; Q165-K167 PolarHBondContact O-N 3.26Å; Q165-L168 CarbonylContact O-C 3.57Å; Q165-L168 WeakPolarHBondContact O-CA 2.92Å; Q165-L168 WeakPolarHBondContact O-CB 3.37Å; Q165-L168 PolarHBondContact O-N 3.48Å; Q165-E169 WeakPolarHBondContact O-CG 3.3Å; Q165-E169 PolarHBondContact O-N 3.03Å
166	N	86.3	Confident	87.3	Confident	86 Å²	86	114.1 Å²	114.1	46%	0.46	55%	0.548	S	S	.	.	H	α-helix	trans	-58.2	-41.4	178.6	-70.6	9.4	0	0	0	112.5	S162 L168 E169 M170	S162-N166 PolarHBondContact O-N 3.48Å; S162-N166 PolarHBondContact O-OD1 3.02Å; N166-L168 VanDerWaalsContact C-N 3.3Å; N166-L168 PolarHBondContact O-N 3.11Å; N166-E169 PolarHBondContact O-N 2.99Å; N166-M170 WeakPolarHBondContact O-CB 3.1Å; N166-M170 WeakPolarHBondContact O-CG 3.31Å; N166-M170 PolarHBondContact O-N 2.91Å
167	K	90.3	Very high	86.3	Confident	147 Å²	147	117.9 Å²	117.9	64%	0.639	56%	0.56	S	S	*	*	H	α-helix	trans	-63.8	-36.3	175.4	-79.6	-177.3	179.5	-172.7	0	112.4	K163 Q165 K171	K163-K167 WeakPolarHBondContact O-CB 3.39Å; K163-K167 WeakPolarHBondContact O-CG 3.19Å; K163-K167 PolarHBondContact O-N 3.04Å; K163-K167 VanDerWaalsContact O-N 3.09Å; Q165-K167 VanDerWaalsContact C-N 3.31Å; Q165-K167 PolarHBondContact O-N 3.26Å; K167-K171 VanDerWaalsContact O-CG 3.31Å; K167-K171 WeakPolarHBondContact O-CG 3.45Å; K167-K171 PolarHBondContact O-N 3.36Å
168	L	88.4	Confident	85.2	Confident	92 Å²	92	121.6 Å²	121.6	48%	0.482	57%	0.571	S	S	.	*	H	α-helix	trans	-73.6	-39	179.2	-164.5	122.6	0	0	0	111	K164 Q165 N166 K171 K172	K164-L168 WeakPolarHBondContact O-CB 3.43Å; K164-L168 PolarHBondContact O-N 3.18Å; K164-L168 VanDerWaalsContact O-N 3.08Å; Q165-L168 CarbonylContact O-C 3.57Å; Q165-L168 WeakPolarHBondContact O-CA 2.92Å; Q165-L168 WeakPolarHBondContact O-CB 3.37Å; Q165-L168 PolarHBondContact O-N 3.48Å; N166-L168 VanDerWaalsContact C-N 3.3Å; N166-L168 PolarHBondContact O-N 3.11Å; L168-K171 PolarHBondContact O-N 3.27Å; L168-K172 HydrophobicContact CD2-CD 4.2Å; L168-K172 WeakPolarHBondContact O-CG 3.44Å; L168-K172 PolarHBondContact O-N 2.98Å
169	E	85.5	Confident	83.8	Confident	99 Å²	99	120 Å²	120	46%	0.463	56%	0.563	S	S	.	*	H	α-helix	trans	-63.8	-47.6	173.6	-72.4	175	-177	0	0	111.6	Q165 N166 K171 K172 M173	Q165-E169 WeakPolarHBondContact O-CG 3.3Å; Q165-E169 PolarHBondContact O-N 3.03Å; N166-E169 PolarHBondContact O-N 2.99Å; E169-K171 VanDerWaalsContact C-N 3.27Å; E169-K171 PolarHBondContact O-N 2.87Å; E169-K172 WeakPolarHBondContact O-CB 3.35Å; E169-K172 PolarHBondContact O-N 3.27Å; E169-K172 VanDerWaalsContact O-N 3.1Å; E169-M173 WeakPolarHBondContact O-CG 3.49Å; E169-M173 PolarHBondContact O-N 2.9Å
170	M	84.9	Confident	82.4	Confident	114 Å²	114	120.4 Å²	120.4	56%	0.562	57%	0.565	S	S	*	*	H	α-helix	trans	-58.6	-37.7	174.6	-77.1	177.8	73.3	0	0	112.7	N166 K174	N166-M170 WeakPolarHBondContact O-CB 3.1Å; N166-M170 WeakPolarHBondContact O-CG 3.31Å; N166-M170 PolarHBondContact O-N 2.91Å; M170-K174 WeakPolarHBondContact O-CG 3.18Å; M170-K174 PolarHBondContact O-N 3.36Å; M170-K174 VanDerWaalsContact O-N 3.15Å
171	K	87.4	Confident	80.7	Confident	157 Å²	157	121.6 Å²	121.6	68%	0.683	57%	0.566	S	S	*	*	H	α-helix	trans	-67.5	-40.8	175.8	-77.8	-179.3	178.2	-165.1	0	112	K167 L168 E169 K174 Q175	K167-K171 VanDerWaalsContact O-CG 3.31Å; K167-K171 WeakPolarHBondContact O-CG 3.45Å; K167-K171 PolarHBondContact O-N 3.36Å; L168-K171 PolarHBondContact O-N 3.27Å; E169-K171 VanDerWaalsContact C-N 3.27Å; E169-K171 PolarHBondContact O-N 2.87Å; K171-K174 PolarHBondContact O-N 3.46Å; K171-Q175 WeakPolarHBondContact O-CB 3.11Å; K171-Q175 PolarHBondContact O-N 2.84Å
172	K	84.3	Confident	79.1	Confident	126 Å²	126	122.6 Å²	122.6	55%	0.548	57%	0.573	S	S	.	*	H	α-helix	trans	-63.8	-45.5	176.1	-75.1	178.6	174.3	-175.9	0	111.7	L168 E169 K174 Q175 E176	L168-K172 HydrophobicContact CD2-CD 4.2Å; L168-K172 WeakPolarHBondContact O-CG 3.44Å; L168-K172 PolarHBondContact O-N 2.98Å; E169-K172 WeakPolarHBondContact O-CB 3.35Å; E169-K172 PolarHBondContact O-N 3.27Å; E169-K172 VanDerWaalsContact O-N 3.1Å; K172-K174 VanDerWaalsContact C-N 3.35Å; K172-K174 PolarHBondContact O-N 3.45Å; K172-Q175 PolarHBondContact O-N 2.94Å; K172-E176 WeakPolarHBondContact O-CB 3.3Å; K172-E176 PolarHBondContact O-N 3.06Å
173	M	81.8	Confident	77.6	Confident	121 Å²	121	123.2 Å²	123.2	60%	0.596	59%	0.587	S	S	*	*	H	α-helix	trans	-58.4	-45.3	176.8	-70.7	172.7	-178.8	0	0	111.8	E169 Q175 E176 E177	E169-M173 WeakPolarHBondContact O-CG 3.49Å; E169-M173 PolarHBondContact O-N 2.9Å; M173-Q175 PolarHBondContact O-N 2.98Å; M173-E176 PolarHBondContact O-N 3.33Å; M173-E177 WeakPolarHBondContact O-CB 3.48Å; M173-E177 PolarHBondContact O-N 2.86Å
174	K	81.9	Confident	76.1	Confident	127 Å²	127	122.4 Å²	122.4	55%	0.552	59%	0.589	S	S	*	*	H	α-helix	trans	-62.4	-41.5	176.1	-72.9	-178.3	178.3	-160.6	0	113	M170 K171 K172 E176 E177 E178	M170-K174 WeakPolarHBondContact O-CG 3.18Å; M170-K174 PolarHBondContact O-N 3.36Å; M170-K174 VanDerWaalsContact O-N 3.15Å; K171-K174 PolarHBondContact O-N 3.46Å; K172-K174 VanDerWaalsContact C-N 3.35Å; K172-K174 PolarHBondContact O-N 3.45Å; K174-E176 VanDerWaalsContact C-N 3.35Å; K174-E177 PolarHBondContact O-N 2.76Å; K174-E178 WeakPolarHBondContact O-CG 3.08Å; K174-E178 PolarHBondContact O-N 3.18Å
175	Q	77.8	Confident	74.5	Confident	118 Å²	118	119.3 Å²	119.3	55%	0.551	58%	0.58	S	S	*	*	H	α-helix	trans	-66.7	-37.5	177.5	-175	179.3	-0.4	0	0	111.9	K171 K172 M173 E178 N179	K171-Q175 WeakPolarHBondContact O-CB 3.11Å; K171-Q175 PolarHBondContact O-N 2.84Å; K172-Q175 PolarHBondContact O-N 2.94Å; M173-Q175 PolarHBondContact O-N 2.98Å; Q175-E178 PolarHBondContact O-N 3.29Å; Q175-N179 WeakPolarHBondContact O-CB 3.49Å; Q175-N179 PolarHBondContact O-N 3.17Å; Q175-N179 PolarHBondContact O-ND2 2.66Å
176	E	75.9	Confident	73	Confident	134 Å²	134	119.1 Å²	119.1	63%	0.626	58%	0.583	S	S	*	*	H	α-helix	trans	-68.8	-39.5	175.9	-170	170.7	-174.7	0	0	111.8	K172 M173 K174 N179 I180	K172-E176 WeakPolarHBondContact O-CB 3.3Å; K172-E176 PolarHBondContact O-N 3.06Å; M173-E176 PolarHBondContact O-N 3.33Å; K174-E176 VanDerWaalsContact C-N 3.35Å; E176-N179 PolarHBondContact O-N 2.61Å; E176-I180 PolarHBondContact O-N 3.22Å
177	E	72.1	Confident	71.6	Confident	113 Å²	113	122.8 Å²	122.8	53%	0.528	60%	0.597	S	S	.	*	H	α-helix	trans	-61.3	-42.5	171.1	-171.2	-179.9	178.7	0	0	111.7	M173 K174 N179 I180 Y181	M173-E177 WeakPolarHBondContact O-CB 3.48Å; M173-E177 PolarHBondContact O-N 2.86Å; K174-E177 PolarHBondContact O-N 2.76Å; E177-N179 PolarHBondContact O-N 3.41Å; E177-I180 WeakPolarHBondContact O-CG1 3.44Å; E177-Y181 HydrophobicContact CG-CE2 4.08Å; E177-Y181 WeakPolarHBondContact O-CD2 3.31Å
178	E	67.6	Low	70	Confident	132 Å²	132	121.5 Å²	121.5	62%	0.617	60%	0.597	S	S	*	*	H	α-helix	trans	-66.4	-37.4	175	-72.7	172.9	-177.6	0	0	112.4	K174 Q175 I180 Y181 Q182	K174-E178 WeakPolarHBondContact O-CG 3.08Å; K174-E178 PolarHBondContact O-N 3.18Å; Q175-E178 PolarHBondContact O-N 3.29Å; E178-I180 PolarHBondContact O-N 3.5Å; E178-Y181 PolarHBondContact O-N 2.93Å; E178-Q182 PolarHBondContact O-N 3.09Å
179	N	64.3	Low	68.4	Low	89 Å²	89	120.8 Å²	120.8	48%	0.476	60%	0.599	S	S	.	*	H	α-helix	trans	-66.9	-31.8	-179.9	-75.9	-27.1	0	0	0	113.5	Q175 E176 E177 Y181 Q182 G183	Q175-N179 WeakPolarHBondContact O-CB 3.49Å; Q175-N179 PolarHBondContact O-N 3.17Å; Q175-N179 PolarHBondContact O-ND2 2.66Å; E176-N179 PolarHBondContact O-N 2.61Å; E177-N179 PolarHBondContact O-N 3.41Å; N179-Y181 VanDerWaalsContact C-N 3.29Å; N179-Y181 PolarHBondContact O-N 3.1Å; N179-Q182 PolarHBondContact O-N 3.39Å; N179-G183 PolarHBondContact O-N 2.99Å
180	I	63.4	Low	66.9	Low	120 Å²	120	120.1 Å²	120.1	62%	0.615	60%	0.604	S	S	*	*	H	α-helix	trans	-71.7	-21.1	176.2	55.5	168.5	0	0	0	113.2	E176 E177 E178	E176-I180 PolarHBondContact O-N 3.22Å; E177-I180 WeakPolarHBondContact O-CG1 3.44Å; E178-I180 PolarHBondContact O-N 3.5Å
181	Y	55.8	Low	65.5	Low	174 Å²	174	118.1 Å²	118.1	68%	0.682	60%	0.601	S	S	*	*	H	α-helix	trans	-89	-22	173.4	-67.1	-72.8	0	0	0	113.1	E177 E178 N179 G183	E177-Y181 HydrophobicContact CG-CE2 4.08Å; E177-Y181 WeakPolarHBondContact O-CD2 3.31Å; E178-Y181 PolarHBondContact O-N 2.93Å; N179-Y181 VanDerWaalsContact C-N 3.29Å; N179-Y181 PolarHBondContact O-N 3.1Å; Y181-G183 VanDerWaalsContact C-N 3.35Å
182	Q	57.5	Low	63.9	Low	154 Å²	154	115.3 Å²	115.3	72%	0.72	60%	0.597	S	S	*	*	H	α-helix	trans	-86	-4.8	172	-80.5	178.9	-22.8	0	0	113.7	E178 N179 L184	E178-Q182 PolarHBondContact O-N 3.09Å; N179-Q182 PolarHBondContact O-N 3.39Å; Q182-L184 PolarHBondContact O-N 3.46Å
183	G	58	Low	62.4	Low	66 Å²	66	118.1 Å²	118.1	68%	0.68	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	-4.1	178	0	0	0	0	0	115.4	N179 Y181	N179-G183 PolarHBondContact O-N 2.99Å; Y181-G183 VanDerWaalsContact C-N 3.35Å
184	L	57.8	Low	61	Low	121 Å²	121	119.6 Å²	119.6	63%	0.634	62%	0.616	S	S	*	*			trans	-112.6	92.6	175.6	-157	76.4	0	0	0	109.4	Q182 L186	Q182-L184 PolarHBondContact O-N 3.46Å; L184-L186 VanDerWaalsContact C-N 3.29Å; L184-L186 HydrophobicContact CD2-CD1 3.77Å; L184-L186 HydrophobicContact CG-CD1 4.23Å; L184-L186 PolarHBondContact O-N 2.76Å
185	N	56.1	Low	59.7	Low	92 Å²	92	121.4 Å²	121.4	49%	0.492	63%	0.627	S	S	.	*			trans	-70.7	87.7	172.6	-149.4	6.1	0	0	0	108.1	E187 D188	N185-E187 PolarHBondContact O-N 2.82Å; N185-D188 PolarHBondContact O-N 2.98Å
186	L	55.6	Low	58.5	Low	120 Å²	120	121.6 Å²	121.6	63%	0.628	63%	0.63	S	S	*	*	G	3₁₀ helix	trans	-56.3	-23.8	-178.7	-112.1	85.3	0	0	0	112.3	L184 D188 C189	L184-L186 VanDerWaalsContact C-N 3.29Å; L184-L186 HydrophobicContact CD2-CD1 3.77Å; L184-L186 HydrophobicContact CG-CD1 4.23Å; L184-L186 PolarHBondContact O-N 2.76Å; L186-D188 VanDerWaalsContact C-N 3.27Å; L186-D188 PolarHBondContact O-N 2.82Å; L186-C189 PolarHBondContact O-N 2.68Å
187	E	56.3	Low	57.3	Low	162 Å²	162	124 Å²	124	76%	0.757	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-64.6	-29.1	178.5	-66.2	154.6	-158.2	0	0	112.4	N185	N185-E187 PolarHBondContact O-N 2.82Å
188	D	57	Low	56.3	Low	121 Å²	121	130.1 Å²	130.1	65%	0.647	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-85.6	-14.1	179.1	-108.1	-7.4	0	0	0	113.4	N185 L186	N185-D188 PolarHBondContact O-N 2.98Å; L186-D188 VanDerWaalsContact C-N 3.27Å; L186-D188 PolarHBondContact O-N 2.82Å
189	C	55.6	Low	55.2	Low	76 Å²	76	129.1 Å²	129.1	51%	0.514	67%	0.667	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.8	-15.6	179	-79.9	0	0	0	0	114	L186	L186-C189 PolarHBondContact O-N 2.68Å
190	C	54.7	Low	54.5	Low	85 Å²	85	134.6 Å²	134.6	57%	0.574	69%	0.69	S	S	*	*	H	α-helix	trans	-79.6	-18.3	-177.5	-70.2	0	0	0	0	114.1	T192	C190-T192 PolarHBondContact O-N 2.85Å
191	S	54.4	Low	53.7	Low	73 Å²	73	131.9 Å²	131.9	51%	0.51	69%	0.691	S	S	.	*	H	α-helix	trans	-78.8	-16.5	-179.4	62	0	0	0	0	114.5
192	T	53.3	Low	52.9	Low	97 Å²	97	132.8 Å²	132.8	60%	0.595	70%	0.702	S	S	*	*	H	α-helix	trans	-95.9	-27.1	-176.5	-51.2	0	0	0	0	112.4	C190	C190-T192 PolarHBondContact O-N 2.85Å
193	Y	52.9	Low	52	Low	185 Å²	185	130.4 Å²	130.4	73%	0.725	70%	0.702	S	S	*	*	H	α-helix	trans	-81.2	-21.9	179.3	-86.6	-82.6	0	0	0	114.1	Q195	Y193-Q195 VanDerWaalsContact C-N 3.27Å; Y193-Q195 PolarHBondContact O-N 2.85Å
194	D	53.8	Low	51.2	Low	152 Å²	152	135 Å²	135	81%	0.813	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	-7.6	176.4	-89.7	-7.1	0	0	0	113.9
195	Q	53.6	Low	50.4	Low	165 Å²	165	139.6 Å²	139.6	77%	0.771	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.5	5.3	-178.7	-65.8	-170.6	15.6	0	0	114.8	Y193 E197	Y193-Q195 VanDerWaalsContact C-N 3.27Å; Y193-Q195 PolarHBondContact O-N 2.85Å; Q195-E197 VanDerWaalsContact C-N 3.27Å; Q195-E197 PolarHBondContact O-N 2.88Å
196	I	52.1	Low	49.6	Very low	122 Å²	122	142.2 Å²	142.2	63%	0.626	73%	0.726	S	S	*	*			trans	-83.6	76.8	172.6	-50.5	178.4	0	0	0	108.9	R198	I196-R198 PolarHBondContact O-N 3.15Å
197	E	52	Low	49	Very low	185 Å²	185	144.5 Å²	144.5	86%	0.864	74%	0.739	S	S	*	*			trans	-62.2	118.4	156.9	-91	-176	155.9	0	0	108.2	Q195 S199	Q195-E197 VanDerWaalsContact C-N 3.27Å; Q195-E197 PolarHBondContact O-N 2.88Å; E197-S199 PolarHBondContact O-N 3.37Å
198	R	49.5	Very low	48.3	Very low	242 Å²	242	142.8 Å²	142.8	91%	0.913	74%	0.739	S	S	*	*			trans	-62.6	99.7	170.2	-84.5	-177.2	170.5	86.3	-2.3	108.8	I196 Q200	I196-R198 PolarHBondContact O-N 3.15Å; R198-Q200 PolarHBondContact O-N 3.06Å
199	S	46.1	Very low	47.7	Very low	111 Å²	111	142.8 Å²	142.8	78%	0.776	75%	0.747	S	S	*	*			trans	-65.3	118.7	165.6	57.4	0	0	0	0	109.5	E197 G201	E197-S199 PolarHBondContact O-N 3.37Å; S199-G201 PolarHBondContact O-N 3.23Å; S199-G201 VanDerWaalsContact O-N 3.16Å
200	Q	49.7	Very low	46.7	Very low	203 Å²	203	145.2 Å²	145.2	95%	0.949	76%	0.76	S	S	*	*			trans	-68.1	101	177.6	-158.4	176.6	18.5	0	0	109.7	R198	R198-Q200 PolarHBondContact O-N 3.06Å
201	G	45	Very low	45.7	Very low	63 Å²	63	145.2 Å²	145.2	65%	0.649	77%	0.766	S	S	*	*			trans	153.6	120.6	167.9	0	0	0	0	0	115.7	S199	S199-G201 PolarHBondContact O-N 3.23Å; S199-G201 VanDerWaalsContact O-N 3.16Å
202	Q	39.2	Very low	45	Very low	194 Å²	194	149.5 Å²	149.5	91%	0.907	78%	0.78	S	S	*	*			trans	85.1	82.8	167.5	-69.9	176.1	-69.7	0	0	119.9
203	S	39.1	Very low	44.1	Very low	103 Å²	103	152.4 Å²	152.4	72%	0.72	79%	0.787	S	S	*	*			trans	19.4	136.4	139.1	82.2	0	0	0	0	124.1
204	Q	40.5	Very low	43.4	Very low	162 Å²	162	152 Å²	152	76%	0.757	79%	0.791	S	S	*	*				96.3	96.9	126.1	-155.9	164.5	4.3	0	0	118
205	Y	41.2	Very low	42.5	Very low	219 Å²	219	152.4 Å²	152.4	86%	0.859	79%	0.786	S	S	*	*			trans	-171.4	102.8	136.4	-96.8	-77.1	0	0	0	106.5
206	Q	40.4	Very low	42.1	Very low	147 Å²	147	153.2 Å²	153.2	69%	0.687	79%	0.79	S	S	*	*				98	91.3	80.6	-163.6	105.4	11.1	0	0	110.3	V208	Q206-V208 HydrophobicContact CG-CG2 4.39Å; Q206-V208 PolarHBondContact O-N 3.34Å
207	D	42.2	Very low	41.5	Very low	168 Å²	168	154.3 Å²	154.3	90%	0.898	79%	0.792	S	S	*	*			trans	-65.9	114.3	166.6	-73.7	-33.8	0	0	0	108.9
208	V	41.8	Very low	41.3	Very low	125 Å²	125	152.4 Å²	152.4	76%	0.758	79%	0.787	S	S	*	*			trans	-97.6	89.5	166.9	-176.6	0	0	0	0	107.6	Q206	Q206-V208 HydrophobicContact CG-CG2 4.39Å; Q206-V208 PolarHBondContact O-N 3.34Å
209	C	44.9	Very low	40.7	Very low	122 Å²	122	148.4 Å²	148.4	82%	0.824	78%	0.782	S	S	*	*			trans	-113.6	95.1	152.3	-86.7	0	0	0	0	107.7
210	T	33.7	Very low	40.6	Very low	126 Å²	126	151.8 Å²	151.8	77%	0.773	79%	0.786	S	S	*	*			trans	-161.8	93.9	158.9	-52.3	0	0	0	0	106.3
211	A	35.1	Very low	40.1	Very low	86 Å²	86	150.5 Å²	150.5	71%	0.711	78%	0.777	S	S	*	*				90.5	159.1	91.2	0	0	0	0	0	112.6
212	M	39.7	Very low	40.1	Very low	163 Å²	163	156.3 Å²	156.3	80%	0.803	80%	0.803	S	S	*	*			trans	96.4	88.6	-176.6	-50.6	-158	84.4	0	0	112.8
213	E	34.7	Very low	40.2	Very low	157 Å²	157	154.4 Å²	154.4	73%	0.734	80%	0.798	S	S	*	*				76.5	120.3	85.1	-88.6	177.9	160.9	0	0	113.1
214	E	37.7	Very low	40.2	Very low	177 Å²	177	157.1 Å²	157.1	83%	0.827	80%	0.802	S	S	*	*			trans	56.4	100.5	145.9	-61.5	-174.3	154.7	0	0	118.5
215	K	34.9	Very low	40.2	Very low	160 Å²	160	156.8 Å²	156.8	70%	0.696	81%	0.805	S	S	*	*				-179.8	114.1	92.3	-117.4	-175.3	175.6	-161.3	0	110.1	E217	K215-E217 WeakPolarHBondContact CE-OE1 3.49Å; K215-E217 IonicContact NZ-OE1 2.82Å; K215-E217 PolarHBondContact NZ-OE1 3.47Å; K215-E217 IonicContact NZ-OE2 3.77Å; K215-E217 PolarHBondContact O-N 3.46Å
216	E	43.7	Very low	40.2	Very low	183 Å²	183	153.2 Å²	153.2	86%	0.855	80%	0.802	S	S	*	*			trans	-64.4	121.7	145.1	-71.5	-176.9	153.1	0	0	107.1
217	E	39.8	Very low	40.2	Very low	145 Å²	145	153.6 Å²	153.6	68%	0.678	81%	0.809	S	S	*	*			trans	-136.8	99.6	153.8	-117	172.7	-143.7	0	0	108.6	K215 L219	K215-E217 WeakPolarHBondContact CE-OE1 3.49Å; K215-E217 IonicContact NZ-OE1 2.82Å; K215-E217 PolarHBondContact NZ-OE1 3.47Å; K215-E217 IonicContact NZ-OE2 3.77Å; K215-E217 PolarHBondContact O-N 3.46Å; E217-L219 PolarHBondContact O-N 3.37Å
218	I	49.2	Very low	40	Very low	145 Å²	145	152.6 Å²	152.6	74%	0.744	80%	0.803	S	S	*	*			trans	-51.4	123.9	159.7	-55.7	155	0	0	0	107.3
219	L	35.8	Very low	39.9	Very low	158 Å²	158	154.6 Å²	154.6	83%	0.827	81%	0.806	S	S	*	*			trans	-133.8	77.4	160.5	-150.1	83.4	0	0	0	110.1	E217	E217-L219 PolarHBondContact O-N 3.37Å
220	E	43.8	Very low	39.5	Very low	181 Å²	181	157.1 Å²	157.1	85%	0.846	81%	0.805	S	S	*	*			trans	-64.3	127.5	156	-163.6	178.4	-145.7	0	0	108.6
221	K	39.2	Very low	40	Very low	176 Å²	176	159.7 Å²	159.7	77%	0.765	81%	0.807	S	S	*	*			trans	-169	165.6	167.2	-135.8	-169.3	175.5	172.9	0	111.2
222	P	46.3	Very low	40.4	Very low	185 Å²	185	166.4 Å²	166.4	100%	1.201	82%	0.816	S	S	*	*				-107.5	0	-67.4	24.6	-8.7	0	0	0	112.9

Retrieved 222 of 222 residues in 88.2 ms (Link to these results)

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