G4VRN7_SCHMA Loading...

FLYWCH-type domain-containing protein

AlphaFold DB , UniProt , Accession G4VRN7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 171 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.1	Very low	35.2	Very low	86 Å²	86	121.1 Å²	121.1	42%	0.424	65%	0.646	S	S	.	*				0	130.4	0	-77.7	170.4	-178.7	0	0	107.9	F3 Y79 L165 G167	M1-F3 HydrophobicContact CB-CE2 4.21Å; M1-F3 HydrophobicContact CB-CZ 4.16Å; M1-Y79 HydrophobicContact CE-CD2 3.48Å; M1-Y79 VanDerWaalsContact CE-CD2 3.48Å; M1-Y79 HydrophobicContact CE-CE2 3.07Å; M1-Y79 HydrophobicContact CG-CD2 4.14Å; M1-Y79 HydrophobicContact SD-CD2 3.35Å; M1-Y79 WeakPolarHBondContact SD-CD2 3.49Å; M1-Y79 HydrophobicContact SD-CE2 3.66Å; M1-Y79 HydrophobicContact SD-CG 4.11Å; M1-L165 HydrophobicContact CE-CD1 4.31Å; M1-G167 PolarHBondContact N-O 3.28Å; M1-G167 VanDerWaalsContact N-O 3.12Å
2	N	34.5	Very low	35.4	Very low	158 Å²	158	117.4 Å²	117.4	85%	0.845	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-83.9	122.1	169.4	-72.3	-25.4	0	0	0	107.7
3	F	40.7	Very low	36	Very low	61 Å²	61	111.2 Å²	111.2	27%	0.268	60%	0.596	S	S	.	*	P	Polyproline II helix	trans	-96.2	118.3	172.8	-62.7	-80.1	0	0	0	107.7	M1 I72	M1-F3 HydrophobicContact CB-CE2 4.21Å; M1-F3 HydrophobicContact CB-CZ 4.16Å; F3-I72 HydrophobicContact CE1-CD1 3.59Å; F3-I72 HydrophobicContact CE1-CG1 4.25Å; F3-I72 HydrophobicContact CE1-CG2 4.31Å; F3-I72 HydrophobicContact CZ-CD1 3.9Å
4	K	39.9	Very low	35.8	Very low	134 Å²	134	109.8 Å²	109.8	58%	0.583	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-84.8	132.9	165.2	-81.2	-172.7	-173.9	142.4	0	109	V6 E78	K4-V6 HydrophobicContact CB-CG2 4.49Å; K4-V6 PolarHBondContact O-N 3.39Å; K4-E78 WeakPolarHBondContact CE-OE1 3.49Å; K4-E78 IonicContact NZ-OE1 3.23Å; K4-E78 PolarHBondContact NZ-OE1 3.03Å
5	N	39.9	Very low	36.1	Very low	71 Å²	71	115.1 Å²	115.1	38%	0.38	61%	0.606	S	S	.	*			trans	-80.3	102.2	170	-74.8	-81.2	0	0	0	108.3	G7 I12	N5-G7 PolarHBondContact O-N 3.42Å; N5-I12 HydrophobicContact CB-CD1 3.52Å; N5-I12 HydrophobicContact CB-CG1 3.82Å; N5-I12 WeakPolarHBondContact ND2-CD1 3.34Å; N5-I12 WeakPolarHBondContact ND2-CG1 3.27Å; N5-I12 WeakPolarHBondContact ND2-CG2 3.38Å; N5-I12 VanDerWaalsContact OD1-CG1 3.32Å; N5-I12 WeakPolarHBondContact OD1-CG1 3.32Å
6	V	35.2	Very low	36.9	Very low	112 Å²	112	108.6 Å²	108.6	68%	0.679	57%	0.573	S	S	*	*			trans	-88.6	97.6	174	-172.7	0	0	0	0	106.8	K4	K4-V6 HydrophobicContact CB-CG2 4.49Å; K4-V6 PolarHBondContact O-N 3.39Å
7	G	31.6	Very low	37.7	Very low	77 Å²	77	104.4 Å²	104.4	79%	0.794	55%	0.553	S	S	*	*	S	Bend	trans	76.6	31.9	153	0	0	0	0	0	118.7	N5	N5-G7 PolarHBondContact O-N 3.42Å
8	M	33.3	Very low	38.7	Very low	131 Å²	131	104.1 Å²	104.1	65%	0.645	55%	0.547	S	S	*	.	S	Bend	trans	-138.5	127.2	169.9	-70.8	-177.4	151	0	0	109	F84	M8-F84 HydrophobicContact CE-CE1 4.45Å; M8-F84 HydrophobicContact SD-CD1 4.49Å; M8-F84 HydrophobicContact SD-CE1 3.38Å; M8-F84 WeakPolarHBondContact SD-CE1 3.37Å; M8-F84 HydrophobicContact SD-CZ 3.86Å
9	N	31.2	Very low	39.8	Very low	151 Å²	151	99.3 Å²	99.3	81%	0.807	52%	0.523	S	S	*	.			trans	-22.2	139.3	179.7	-68.4	-50.6	0	0	0	114	F11	N9-F11 PolarHBondContact O-N 3.14Å
10	D	32.3	Very low	41.2	Very low	154 Å²	154	94.8 Å²	94.8	82%	0.824	50%	0.499	S	S	*	.	S	Bend	trans	-45	11.3	-173.9	-60.8	-44.2	0	0	0	119.2	I12	D10-I12 PolarHBondContact O-N 2.73Å
11	F	31.9	Very low	42.5	Very low	197 Å²	197	93.8 Å²	93.8	86%	0.864	49%	0.494	S	S	*	.			trans	-73.1	36.4	164.4	-94.4	-90.1	0	0	0	114.3	N9	N9-F11 PolarHBondContact O-N 3.14Å
12	I	37.7	Very low	43.9	Very low	77 Å²	77	92.2 Å²	92.2	40%	0.395	49%	0.489	S	S	.	.			trans	-58.5	127.3	169.5	-52.1	173.2	0	0	0	107.5	N5 D10 S14	N5-I12 HydrophobicContact CB-CD1 3.52Å; N5-I12 HydrophobicContact CB-CG1 3.82Å; N5-I12 WeakPolarHBondContact ND2-CD1 3.34Å; N5-I12 WeakPolarHBondContact ND2-CG1 3.27Å; N5-I12 WeakPolarHBondContact ND2-CG2 3.38Å; N5-I12 VanDerWaalsContact OD1-CG1 3.32Å; N5-I12 WeakPolarHBondContact OD1-CG1 3.32Å; D10-I12 PolarHBondContact O-N 2.73Å; I12-S14 PolarHBondContact O-N 2.67Å
13	P	42.5	Very low	45.7	Very low	37 Å²	37	88.9 Å²	88.9	24%	0.24	47%	0.47	C	S	.	.			trans	-90.4	82.3	-148.1	36.4	-38.6	0	0	0	112.5	R15 T16	P13-R15 PolarHBondContact O-N 3.09Å; P13-T16 HydrophobicContact CB-CG2 3.4Å; P13-T16 WeakPolarHBondContact CB-OG1 3.16Å; P13-T16 HydrophobicContact CG-CG2 4.39Å; P13-T16 VanDerWaalsContact CG-OG1 3.26Å; P13-T16 WeakPolarHBondContact CG-OG1 3.43Å; P13-T16 PolarHBondContact O-N 3.42Å
14	S	32.8	Very low	47.2	Very low	91 Å²	91	88.4 Å²	88.4	64%	0.636	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-20.8	162.1	53.6	0	0	0	0	112.5	I12	I12-S14 PolarHBondContact O-N 2.67Å
15	R	41.5	Very low	48.9	Very low	189 Å²	189	85.2 Å²	85.2	71%	0.713	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-12	-175.6	-65.3	-171.7	177.5	-169	0.3	116.4	P13	P13-R15 PolarHBondContact O-N 3.09Å
16	T	47.5	Very low	50.6	Low	11 Å²	11	83.4 Å²	83.4	7%	0.067	45%	0.452	C	S	.	.	S	Bend	trans	-109.5	-6.9	-156.3	67.5	0	0	0	0	116	P13 H18 H20 M86	P13-T16 HydrophobicContact CB-CG2 3.4Å; P13-T16 WeakPolarHBondContact CB-OG1 3.16Å; P13-T16 HydrophobicContact CG-CG2 4.39Å; P13-T16 VanDerWaalsContact CG-OG1 3.26Å; P13-T16 WeakPolarHBondContact CG-OG1 3.43Å; P13-T16 PolarHBondContact O-N 3.42Å; T16-H18 PolarHBondContact O-N 3.02Å; T16-H20 PolarHBondContact O-ND1 3.45Å; T16-M86 HydrophobicContact CG2-CE 3.06Å; T16-M86 HydrophobicContact CG2-CG 4.47Å
17	T	52	Low	52.4	Low	38 Å²	38	82.9 Å²	82.9	23%	0.233	44%	0.441	C	S	.	.	S	Bend	trans	-88.4	-15.4	-157.8	54.1	0	0	0	0	113.8	I170	T17-I170 VanDerWaalsContact CB-CD1 3.46Å; T17-I170 HydrophobicContact CG2-CD1 3.03Å; T17-I170 HydrophobicContact CG2-CG1 4.38Å; T17-I170 HydrophobicContact CG2-CG2 4.48Å
18	H	54.9	Low	53.9	Low	98 Å²	98	81.9 Å²	81.9	45%	0.454	42%	0.417	S	S	.	.	S	Bend	trans	-106.1	-12.6	-174	-59.3	88.2	0	0	0	113.8	T16 M97 N100	T16-H18 PolarHBondContact O-N 3.02Å; H18-M97 HydrophobicContact CB-CE 3.81Å; H18-M97 WeakPolarHBondContact ND1-CE 3.23Å; H18-N100 PolarHBondContact O-ND2 2.99Å
19	T	60.2	Low	55.2	Low	13 Å²	13	83.3 Å²	83.3	8%	0.08	43%	0.427	C	S	.	.	S	Bend	trans	-94.9	-4.2	178.9	58.7	0	0	0	0	113.1	C43 T44	T19-C43 CarbonylContact O-C 3.44Å; T19-C43 VanDerWaalsContact O-CA 3.23Å; T19-C43 WeakPolarHBondContact O-CA 3.43Å; T19-T44 WeakPolarHBondContact O-CG2 3.27Å; T19-T44 PolarHBondContact O-N 3.31Å; T19-T44 PolarHBondContact O-OG1 2.94Å; T19-T44 VanDerWaalsContact O-OG1 3.09Å
20	H	68.3	Low	56.7	Low	10 Å²	10	83.7 Å²	83.7	5%	0.046	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	130.6	-174.8	-60.4	77.3	0	0	0	111.9	T16 F41 Q42 C43 S68 F70 H88	T16-H20 PolarHBondContact O-ND1 3.45Å; H20-F41 HydrophobicContact CB-CB 3.79Å; H20-Q42 CarbonylContact C-O 3.48Å; H20-Q42 WeakPolarHBondContact CA-O 3.41Å; H20-Q42 VanDerWaalsContact CD2-C 3.45Å; H20-C43 PolarHBondContact CD2-N 2.86Å; H20-S68 PolarHBondContact CD2-O 3.12Å; H20-S68 PolarHBondContact CE1-OG 3.45Å; H20-S68 PolarHBondContact NE2-O 3.25Å; H20-S68 PolarHBondContact NE2-OG 3.15Å; H20-F70 HydrophobicContact CB-CE1 3.82Å; H20-F70 HydrophobicContact CB-CZ 4.5Å; H20-F70 AromaticContact CD2-CD1 3.98Å; H20-F70 AromaticContact CD2-CE1 3.95Å; H20-F70 AromaticContact CG-CE1 3.63Å; H20-F70 AromaticContact ND1-CE1 3.84Å; H20-H88 AromaticContact CE1-CE1 3.52Å; H20-H88 AromaticContact CE1-NE2 3.65Å; H20-H88 AromaticContact NE2-CE1 3.94Å
21	N	67.9	Low	58	Low	73 Å²	73	79.6 Å²	79.6	39%	0.39	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	156.5	171.3	-77.4	-10.8	0	0	0	110.5	L23 F41 Q42 T44	N21-L23 PolarHBondContact O-N 3.47Å; N21-F41 CarbonylContact O-C 3.53Å; N21-F41 VanDerWaalsContact O-CA 3.26Å; N21-F41 WeakPolarHBondContact O-CA 3.22Å; N21-Q42 PolarHBondContact N-O 3.05Å; N21-Q42 PolarHBondContact O-N 3.06Å; N21-T44 HydrophobicContact CB-CG2 3.75Å; N21-T44 WeakPolarHBondContact ND2-CG2 3.42Å; N21-T44 WeakPolarHBondContact OD1-CG2 3.41Å
22	V	67	Low	59.5	Low	53 Å²	53	77.7 Å²	77.7	32%	0.321	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	117.7	169.7	179.2	0	0	0	0	109.1	E25 V39 M40 F41	V22-E25 HydrophobicContact CG1-CB 4.11Å; V22-V39 HydrophobicContact CB-CG1 4.32Å; V22-V39 HydrophobicContact CG1-CG1 3.73Å; V22-V39 HydrophobicContact CG2-CG1 3.78Å; V22-M40 CarbonylContact C-O 3.57Å; V22-M40 WeakPolarHBondContact CA-O 3.17Å; V22-F41 HydrophobicContact CG2-CD1 4.14Å; V22-F41 HydrophobicContact CG2-CE1 3.61Å; V22-F41 HydrophobicContact CG2-CZ 3.97Å
23	L	71.4	Confident	60.3	Low	88 Å²	88	81 Å²	81	46%	0.461	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	-44.8	175	-177.4	66.7	0	0	0	110.9	N21 M40 Q42 M69	N21-L23 PolarHBondContact O-N 3.47Å; L23-M40 PolarHBondContact N-O 3.11Å; L23-Q42 HydrophobicContact CB-CB 4.13Å; L23-Q42 VanDerWaalsContact CD1-OE1 3.31Å; L23-Q42 HydrophobicContact CD2-CB 4.29Å; L23-M69 HydrophobicContact CD2-CE 3.93Å
24	V	73.3	Confident	61	Low	52 Å²	52	79.7 Å²	79.7	32%	0.315	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	138.5	-179.5	-178.2	0	0	0	0	108.5	Y38 V39 M40	V24-Y38 HydrophobicContact CB-CE2 4.4Å; V24-Y38 HydrophobicContact CG1-CE2 3.83Å; V24-V39 WeakPolarHBondContact O-CA 3.42Å; V24-M40 HydrophobicContact CB-CB 4.45Å; V24-M40 HydrophobicContact CB-CE 3.5Å; V24-M40 HydrophobicContact CG1-CE 4.23Å; V24-M40 HydrophobicContact CG2-CE 3.39Å; V24-M40 PolarHBondContact O-N 3.36Å
25	E	75	Confident	62.8	Low	67 Å²	67	80 Å²	80	31%	0.313	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	143.6	172.1	60.2	174.8	-144.1	0	0	109.9	V22 K27 Y36	V22-E25 HydrophobicContact CG1-CB 4.11Å; E25-K27 WeakPolarHBondContact OE1-CE 3.31Å; E25-K27 IonicContact OE1-NZ 2.86Å; E25-K27 PolarHBondContact OE1-NZ 3.32Å; E25-Y36 HydrophobicContact CB-CD1 3.69Å; E25-Y36 HydrophobicContact CB-CE1 3.58Å; E25-Y36 HydrophobicContact CG-CD1 4.33Å; E25-Y36 HydrophobicContact CG-CE1 3.78Å; E25-Y36 PolarHBondContact OE1-OH 3.43Å; E25-Y36 WeakPolarHBondContact OE2-CE1 3.39Å; E25-Y36 PolarHBondContact OE2-OH 2.89Å
26	S	75.7	Confident	64.2	Low	32 Å²	32	71.1 Å²	71.1	22%	0.224	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	116.7	170.9	172.9	0	0	0	0	108.1	Y36 I37 Y38	S26-Y36 CarbonylContact O-C 3.57Å; S26-Y36 WeakPolarHBondContact O-CA 3.16Å; S26-Y36 WeakPolarHBondContact O-CB 3.45Å; S26-Y36 WeakPolarHBondContact O-CD1 3.42Å; S26-I37 PolarHBondContact O-N 3.38Å; S26-Y38 PolarHBondContact N-O 2.87Å
27	K	72.2	Confident	65.7	Low	102 Å²	102	74.1 Å²	74.1	44%	0.443	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	140.4	-174.6	-69.7	178.1	-175	174.6	0	111.9	E25 R35 Y36	E25-K27 WeakPolarHBondContact OE1-CE 3.31Å; E25-K27 IonicContact OE1-NZ 2.86Å; E25-K27 PolarHBondContact OE1-NZ 3.32Å; K27-R35 CarbonylContact C-O 3.45Å; K27-R35 VanDerWaalsContact CA-O 3.29Å; K27-R35 WeakPolarHBondContact CA-O 3.32Å; K27-Y36 HydrophobicContact CD-CE1 4.39Å; K27-Y36 HydrophobicContact CG-CD1 3.82Å; K27-Y36 HydrophobicContact CG-CE1 3.52Å
28	L	63.8	Low	67.1	Low	55 Å²	55	75 Å²	75	29%	0.288	38%	0.377	S	S	.	.			trans	-93.9	111.4	163.3	-80.9	158.1	0	0	0	107.4	N30 N31 F34 R35 I37	L28-N30 PolarHBondContact O-N 3.09Å; L28-N31 HydrophobicContact CB-CB 4.24Å; L28-N31 HydrophobicContact CD1-CB 4.48Å; L28-F34 VanDerWaalsContact CB-O 3.29Å; L28-F34 WeakPolarHBondContact CB-O 3.42Å; L28-F34 HydrophobicContact CD1-CB 3.66Å; L28-R35 PolarHBondContact N-O 2.63Å; L28-I37 HydrophobicContact CD1-CG1 4.12Å; L28-I37 HydrophobicContact CD2-CD1 4.23Å; L28-I37 HydrophobicContact CD2-CG1 3.68Å; L28-I37 HydrophobicContact CG-CB 4.49Å; L28-I37 HydrophobicContact CG-CD1 4.47Å; L28-I37 HydrophobicContact CG-CG1 3.49Å; L28-I37 VanDerWaalsContact CG-CG1 3.49Å
29	L	59.3	Low	68.3	Low	161 Å²	161	70.7 Å²	70.7	84%	0.843	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-23.2	-178.6	-68.7	171.4	0	0	0	112.8
30	N	64.3	Low	69.4	Low	160 Å²	160	72.2 Å²	72.2	86%	0.856	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.3	6.4	-165.6	-62.8	-4.6	0	0	0	114.5	L28	L28-N30 PolarHBondContact O-N 3.09Å
31	N	59.2	Low	70	Confident	68 Å²	68	73.3 Å²	73.3	36%	0.364	37%	0.369	S	S	.	.			trans	-120.1	111.7	-176.7	-164.4	-38.2	0	0	0	111.5	L28 R33 F34	L28-N31 HydrophobicContact CB-CB 4.24Å; L28-N31 HydrophobicContact CD1-CB 4.48Å; N31-R33 PolarHBondContact O-N 3.5Å; N31-R33 WeakPolarHBondContact OD1-CA 3.37Å; N31-R33 VanDerWaalsContact OD1-CB 3.31Å; N31-R33 WeakPolarHBondContact OD1-CB 3.49Å; N31-R33 PolarHBondContact OD1-N 2.83Å; N31-F34 HydrophobicContact CB-CB 4.34Å; N31-F34 CarbonylContact O-C 3.56Å; N31-F34 PolarHBondContact OD1-N 3.18Å
32	V	62.2	Low	70.6	Confident	156 Å²	156	71.8 Å²	71.8	95%	0.945	36%	0.36	S	S	*	.	S	Bend	trans	-66.8	-28.8	179	-174.1	0	0	0	0	111.4
33	R	55.3	Low	71.2	Confident	146 Å²	146	69.3 Å²	69.3	55%	0.551	35%	0.345	S	S	*	.	S	Bend	trans	-83.7	-34.9	-177.8	-162.4	171.6	176.1	-178.5	-7.2	112	N31 E77	N31-R33 PolarHBondContact O-N 3.5Å; N31-R33 WeakPolarHBondContact OD1-CA 3.37Å; N31-R33 VanDerWaalsContact OD1-CB 3.31Å; N31-R33 WeakPolarHBondContact OD1-CB 3.49Å; N31-R33 PolarHBondContact OD1-N 2.83Å; R33-E77 IonicContact CZ-OE2 2.8Å; R33-E77 VanDerWaalsContact CZ-OE2 3.23Å; R33-E77 IonicContact NH1-OE1 3.42Å; R33-E77 PolarHBondContact NH1-OE1 3.47Å; R33-E77 VanDerWaalsContact NH1-OE1 3.1Å; R33-E77 IonicContact NH1-OE2 3.1Å; R33-E77 PolarHBondContact NH1-OE2 2.99Å; R33-E77 IonicContact NH2-OE2 2.72Å; R33-E77 PolarHBondContact NH2-OE2 2.88Å
34	F	58.2	Low	71.2	Confident	10 Å²	10	67 Å²	67	4%	0.044	33%	0.334	C	S	.	.			trans	-120.3	105.1	179.6	-65.3	-84.6	0	0	0	110.3	L28 N31 Y36 E77 Y79	L28-F34 VanDerWaalsContact CB-O 3.29Å; L28-F34 WeakPolarHBondContact CB-O 3.42Å; L28-F34 HydrophobicContact CD1-CB 3.66Å; N31-F34 HydrophobicContact CB-CB 4.34Å; N31-F34 CarbonylContact O-C 3.56Å; N31-F34 PolarHBondContact OD1-N 3.18Å; F34-Y36 PolarHBondContact O-N 2.96Å; F34-E77 VanDerWaalsContact CZ-O 3.25Å; F34-E77 WeakPolarHBondContact CZ-O 3.49Å; F34-Y79 WeakPolarHBondContact CA-OH 3.34Å; F34-Y79 HydrophobicContact CB-CE2 4.45Å; F34-Y79 HydrophobicContact CD1-CD1 4.28Å; F34-Y79 AromaticContact CD1-CD2 3.63Å; F34-Y79 HydrophobicContact CD1-CD2 3.63Å; F34-Y79 AromaticContact CD1-CE1 3.92Å; F34-Y79 HydrophobicContact CD1-CE1 3.92Å; F34-Y79 AromaticContact CD1-CE2 3.16Å; F34-Y79 HydrophobicContact CD1-CE2 3.16Å; F34-Y79 HydrophobicContact CD1-CG 4.18Å; F34-Y79 AromaticContact CD1-CZ 3.36Å; F34-Y79 AromaticContact CE1-CD2 3.49Å; F34-Y79 HydrophobicContact CE1-CD2 3.49Å; F34-Y79 VanDerWaalsContact CE1-CD2 3.49Å; F34-Y79 AromaticContact CE1-CE2 3.52Å; F34-Y79 HydrophobicContact CE1-CE2 3.52Å; F34-Y79 HydrophobicContact CE1-CG 4.03Å; F34-Y79 HydrophobicContact CG-CE2 4.19Å
35	R	69.4	Low	71	Confident	97 Å²	97	67.7 Å²	67.7	37%	0.366	33%	0.333	S	S	.	.	S	Bend	trans	-72.8	-21.4	176.2	-160.9	179.4	-152.8	172.1	17.7	112.7	K27 L28 Y79 L165	K27-R35 CarbonylContact C-O 3.45Å; K27-R35 VanDerWaalsContact CA-O 3.29Å; K27-R35 WeakPolarHBondContact CA-O 3.32Å; L28-R35 PolarHBondContact N-O 2.63Å; R35-Y79 PolarHBondContact N-OH 2.96Å; R35-L165 HydrophobicContact CB-CD2 4.34Å
36	Y	71.2	Confident	70.4	Confident	4 Å²	4	65 Å²	65	2%	0.016	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	136.6	-171.8	-59.3	-75.5	0	0	0	113	E25 S26 K27 F34 V39 Y79 L165	E25-Y36 HydrophobicContact CB-CD1 3.69Å; E25-Y36 HydrophobicContact CB-CE1 3.58Å; E25-Y36 HydrophobicContact CG-CD1 4.33Å; E25-Y36 HydrophobicContact CG-CE1 3.78Å; E25-Y36 PolarHBondContact OE1-OH 3.43Å; E25-Y36 WeakPolarHBondContact OE2-CE1 3.39Å; E25-Y36 PolarHBondContact OE2-OH 2.89Å; S26-Y36 CarbonylContact O-C 3.57Å; S26-Y36 WeakPolarHBondContact O-CA 3.16Å; S26-Y36 WeakPolarHBondContact O-CB 3.45Å; S26-Y36 WeakPolarHBondContact O-CD1 3.42Å; K27-Y36 HydrophobicContact CD-CE1 4.39Å; K27-Y36 HydrophobicContact CG-CD1 3.82Å; K27-Y36 HydrophobicContact CG-CE1 3.52Å; F34-Y36 PolarHBondContact O-N 2.96Å; Y36-V39 HydrophobicContact CD1-CG2 4.24Å; Y36-V39 HydrophobicContact CD2-CG2 3.85Å; Y36-V39 HydrophobicContact CG-CG2 3.61Å; Y36-Y79 PolarHBondContact N-OH 3.45Å; Y36-Y79 WeakPolarHBondContact O-CE1 3.39Å; Y36-Y79 PolarHBondContact O-OH 3.19Å; Y36-L165 HydrophobicContact CD2-CD1 3.89Å; Y36-L165 HydrophobicContact CE2-CD1 3.5Å; Y36-L165 VanDerWaalsContact CE2-CD1 3.5Å; Y36-L165 HydrophobicContact CE2-CD2 3.95Å; Y36-L165 HydrophobicContact CE2-CG 3.81Å
37	I	79.7	Confident	69.7	Low	73 Å²	73	66.8 Å²	66.8	37%	0.374	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	-48.2	166	-55.8	-176.7	0	0	0	108.8	S26 L28 T73 S74	S26-I37 PolarHBondContact O-N 3.38Å; L28-I37 HydrophobicContact CD1-CG1 4.12Å; L28-I37 HydrophobicContact CD2-CD1 4.23Å; L28-I37 HydrophobicContact CD2-CG1 3.68Å; L28-I37 HydrophobicContact CG-CB 4.49Å; L28-I37 HydrophobicContact CG-CD1 4.47Å; L28-I37 HydrophobicContact CG-CG1 3.49Å; L28-I37 VanDerWaalsContact CG-CG1 3.49Å; I37-T73 CarbonylContact O-C 3.33Å; I37-T73 VanDerWaalsContact O-CA 3.29Å; I37-T73 WeakPolarHBondContact O-CA 3.4Å; I37-T73 VanDerWaalsContact O-CG2 3.3Å; I37-T73 WeakPolarHBondContact O-CG2 3.4Å; I37-S74 PolarHBondContact O-N 2.83Å; I37-S74 PolarHBondContact O-OG 3.49Å
38	Y	81.4	Confident	68.8	Low	56 Å²	56	70.3 Å²	70.3	22%	0.22	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	155.9	173.9	72.5	-91	0	0	0	111.4	V24 S26 M40 I72	V24-Y38 HydrophobicContact CB-CE2 4.4Å; V24-Y38 HydrophobicContact CG1-CE2 3.83Å; S26-Y38 PolarHBondContact N-O 2.87Å; Y38-M40 HydrophobicContact CD2-CG 4.1Å; Y38-M40 HydrophobicContact CE2-CG 4.21Å; Y38-I72 CarbonylContact C-O 3.46Å; Y38-I72 WeakPolarHBondContact CA-O 3.18Å; Y38-I72 VanDerWaalsContact CB-O 3.29Å; Y38-I72 WeakPolarHBondContact CB-O 3.43Å
39	V	80	Confident	68.2	Low	9 Å²	9	72.1 Å²	72.1	6%	0.055	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	126.7	173.9	-171.6	0	0	0	0	108	V22 V24 Y36 F41 I72	V22-V39 HydrophobicContact CB-CG1 4.32Å; V22-V39 HydrophobicContact CG1-CG1 3.73Å; V22-V39 HydrophobicContact CG2-CG1 3.78Å; V24-V39 WeakPolarHBondContact O-CA 3.42Å; Y36-V39 HydrophobicContact CD1-CG2 4.24Å; Y36-V39 HydrophobicContact CD2-CG2 3.85Å; Y36-V39 HydrophobicContact CG-CG2 3.61Å; V39-F41 HydrophobicContact CB-CD2 4.44Å; V39-F41 HydrophobicContact CB-CE2 3.81Å; V39-F41 HydrophobicContact CB-CZ 4.47Å; V39-F41 HydrophobicContact CG1-CD2 3.96Å; V39-F41 HydrophobicContact CG1-CE1 4.48Å; V39-F41 HydrophobicContact CG1-CE2 3.36Å; V39-F41 HydrophobicContact CG1-CZ 3.68Å; V39-I72 PolarHBondContact N-O 3.18Å; V39-I72 PolarHBondContact O-N 3.18Å
40	M	82.9	Confident	67.4	Low	45 Å²	45	73.1 Å²	73.1	22%	0.222	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	126.1	173.2	-66.5	-162.7	-62.8	0	0	109.7	V22 L23 V24 Y38 R71	V22-M40 CarbonylContact C-O 3.57Å; V22-M40 WeakPolarHBondContact CA-O 3.17Å; L23-M40 PolarHBondContact N-O 3.11Å; V24-M40 HydrophobicContact CB-CB 4.45Å; V24-M40 HydrophobicContact CB-CE 3.5Å; V24-M40 HydrophobicContact CG1-CE 4.23Å; V24-M40 HydrophobicContact CG2-CE 3.39Å; V24-M40 PolarHBondContact O-N 3.36Å; Y38-M40 HydrophobicContact CD2-CG 4.1Å; Y38-M40 HydrophobicContact CE2-CG 4.21Å; M40-R71 HydrophobicContact CG-CB 4.22Å; M40-R71 HydrophobicContact CG-CG 3.97Å
41	F	80.6	Confident	66.6	Low	32 Å²	32	69.3 Å²	69.3	14%	0.14	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	127.3	177.8	-73.2	-89.8	0	0	0	109.5	H20 N21 V22 V39 M69 F70 I72	H20-F41 HydrophobicContact CB-CB 3.79Å; N21-F41 CarbonylContact O-C 3.53Å; N21-F41 VanDerWaalsContact O-CA 3.26Å; N21-F41 WeakPolarHBondContact O-CA 3.22Å; V22-F41 HydrophobicContact CG2-CD1 4.14Å; V22-F41 HydrophobicContact CG2-CE1 3.61Å; V22-F41 HydrophobicContact CG2-CZ 3.97Å; V39-F41 HydrophobicContact CB-CD2 4.44Å; V39-F41 HydrophobicContact CB-CE2 3.81Å; V39-F41 HydrophobicContact CB-CZ 4.47Å; V39-F41 HydrophobicContact CG1-CD2 3.96Å; V39-F41 HydrophobicContact CG1-CE1 4.48Å; V39-F41 HydrophobicContact CG1-CE2 3.36Å; V39-F41 HydrophobicContact CG1-CZ 3.68Å; F41-M69 CarbonylContact O-C 3.47Å; F41-M69 WeakPolarHBondContact O-CA 3.29Å; F41-M69 WeakPolarHBondContact O-CB 3.41Å; F41-F70 HydrophobicContact CB-CD1 3.87Å; F41-F70 HydrophobicContact CB-CD2 4.09Å; F41-F70 HydrophobicContact CB-CE1 3.46Å; F41-F70 VanDerWaalsContact CB-CE1 3.46Å; F41-F70 HydrophobicContact CB-CE2 3.7Å; F41-F70 HydrophobicContact CB-CG 4.16Å; F41-F70 HydrophobicContact CB-CZ 3.37Å; F41-F70 HydrophobicContact CD1-CZ 4.1Å; F41-F70 HydrophobicContact CD2-CD2 4.01Å; F41-F70 AromaticContact CD2-CE2 3.38Å; F41-F70 HydrophobicContact CD2-CE2 3.38Å; F41-F70 AromaticContact CD2-CZ 3.76Å; F41-F70 HydrophobicContact CD2-CZ 3.76Å; F41-F70 HydrophobicContact CE2-CE2 4.13Å; F41-F70 HydrophobicContact CG-CD2 4.36Å; F41-F70 HydrophobicContact CG-CE1 4.11Å; F41-F70 AromaticContact CG-CE2 3.63Å; F41-F70 HydrophobicContact CG-CE2 3.63Å; F41-F70 AromaticContact CG-CZ 3.48Å; F41-F70 HydrophobicContact CG-CZ 3.48Å; F41-F70 VanDerWaalsContact CG-CZ 3.48Å; F41-F70 PolarHBondContact N-O 2.96Å; F41-F70 PolarHBondContact O-N 2.72Å; F41-I72 HydrophobicContact CD2-CD1 4.1Å; F41-I72 HydrophobicContact CE2-CD1 3.72Å
42	Q	81	Confident	65.6	Low	42 Å²	42	73.9 Å²	73.9	20%	0.196	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	140.6	178.4	-176.6	-178.9	7.2	0	0	111.3	H20 N21 L23 T44 M69	H20-Q42 CarbonylContact C-O 3.48Å; H20-Q42 WeakPolarHBondContact CA-O 3.41Å; H20-Q42 VanDerWaalsContact CD2-C 3.45Å; N21-Q42 PolarHBondContact N-O 3.05Å; N21-Q42 PolarHBondContact O-N 3.06Å; L23-Q42 HydrophobicContact CB-CB 4.13Å; L23-Q42 VanDerWaalsContact CD1-OE1 3.31Å; L23-Q42 HydrophobicContact CD2-CB 4.29Å; Q42-T44 PolarHBondContact O-N 3.28Å; Q42-M69 HydrophobicContact CB-CB 4.39Å
43	C	78.5	Confident	64.9	Low	0 Å²	0	70.1 Å²	70.1	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	133.6	177.8	-174.3	0	0	0	0	112.2	T19 H20 C66 S68 H88 H90	T19-C43 CarbonylContact O-C 3.44Å; T19-C43 VanDerWaalsContact O-CA 3.23Å; T19-C43 WeakPolarHBondContact O-CA 3.43Å; H20-C43 PolarHBondContact CD2-N 2.86Å; C43-C66 HydrophobicContact CB-CB 3.98Å; C43-C66 VanDerWaalsContact SG-SG 3.63Å; C43-S68 WeakPolarHBondContact CB-O 3.46Å; C43-S68 PolarHBondContact N-O 3.14Å; C43-H88 PolarHBondContact SG-ND1 2.68Å; C43-H90 PolarHBondContact SG-NE2 3.47Å
44	T	71.4	Confident	64.3	Low	40 Å²	40	67 Å²	67	25%	0.245	36%	0.355	C	S	.	.			trans	-83.4	-17.1	-176.7	58.5	0	0	0	0	113.4	T19 N21 Q42 G46 L47	T19-T44 WeakPolarHBondContact O-CG2 3.27Å; T19-T44 PolarHBondContact O-N 3.31Å; T19-T44 PolarHBondContact O-OG1 2.94Å; T19-T44 VanDerWaalsContact O-OG1 3.09Å; N21-T44 HydrophobicContact CB-CG2 3.75Å; N21-T44 WeakPolarHBondContact ND2-CG2 3.42Å; N21-T44 WeakPolarHBondContact OD1-CG2 3.41Å; Q42-T44 PolarHBondContact O-N 3.28Å; T44-G46 PolarHBondContact O-N 3.11Å; T44-L47 WeakPolarHBondContact O-CB 3.46Å; T44-L47 PolarHBondContact O-N 3.22Å
45	F	70.2	Confident	63.5	Low	66 Å²	66	73.4 Å²	73.4	29%	0.289	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	126.8	179.3	-105.9	-94.5	0	0	0	110.9	L47 C66 H90	F45-L47 VanDerWaalsContact C-N 3.26Å; F45-L47 PolarHBondContact O-N 3.5Å; F45-C66 HydrophobicContact CB-CB 4.44Å; F45-C66 VanDerWaalsContact O-CB 3.25Å; F45-C66 WeakPolarHBondContact O-CB 3.28Å; F45-C66 PolarHBondContact O-N 3.14Å; F45-H90 WeakPolarHBondContact CB-CD2 3.43Å; F45-H90 WeakPolarHBondContact CB-NE2 3.36Å; F45-H90 HydrophobicContact CD1-CB 4.19Å; F45-H90 AromaticContact CD1-CG 3.79Å; F45-H90 AromaticContact CD1-ND1 3.95Å; F45-H90 AromaticContact CD2-CE1 3.57Å; F45-H90 AromaticContact CD2-ND1 3.89Å; F45-H90 AromaticContact CD2-NE2 3.95Å; F45-H90 AromaticContact CG-CD2 3.71Å; F45-H90 AromaticContact CG-CE1 3.6Å; F45-H90 AromaticContact CG-CG 3.81Å; F45-H90 AromaticContact CG-ND1 3.74Å; F45-H90 AromaticContact CG-NE2 3.62Å
46	G	61.9	Low	62.7	Low	10 Å²	10	72.8 Å²	72.8	10%	0.103	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.6	7	-179.9	0	0	0	0	0	114.7	T44 F63 N65	T44-G46 PolarHBondContact O-N 3.11Å; G46-F63 WeakPolarHBondContact CA-O 3.36Å; G46-N65 PolarHBondContact O-N 3.5Å
47	L	61.4	Low	61.4	Low	71 Å²	71	80.6 Å²	80.6	37%	0.372	44%	0.444	S	S	.	.			trans	-69.8	127.7	163.6	-67.3	-179.8	0	0	0	108.6	T44 F45 S49	T44-L47 WeakPolarHBondContact O-CB 3.46Å; T44-L47 PolarHBondContact O-N 3.22Å; F45-L47 VanDerWaalsContact C-N 3.26Å; F45-L47 PolarHBondContact O-N 3.5Å; L47-S49 PolarHBondContact O-N 2.97Å
48	K	52.9	Low	60.1	Low	176 Å²	176	86 Å²	86	77%	0.765	46%	0.46	S	S	*	.			trans	-76.3	46.1	178.8	-63.8	-176.8	179.7	179.5	0	112	K50	K48-K50 PolarHBondContact O-N 3.24Å
49	S	51.2	Low	58.9	Low	93 Å²	93	92.8 Å²	92.8	65%	0.65	49%	0.491	S	S	*	.			trans	-73.5	98.8	165.6	20.5	0	0	0	0	107.3	L47 P51	L47-S49 PolarHBondContact O-N 2.97Å; S49-P51 VanDerWaalsContact O-CD 3.25Å; S49-P51 WeakPolarHBondContact O-CD 3.43Å
50	K	42.9	Very low	57.8	Low	182 Å²	182	97.6 Å²	97.6	79%	0.791	52%	0.522	S	S	*	.			trans	-54.7	119.8	154.7	-74.3	-177.7	177.6	-179.1	0	105.4	K48 D52	K48-K50 PolarHBondContact O-N 3.24Å; K50-D52 PolarHBondContact O-N 3.38Å
51	P	46.9	Very low	56.8	Low	79 Å²	79	97.6 Å²	97.6	51%	0.513	53%	0.527	S	S	.	.			trans	-64.5	110.6	163	25.6	-28.6	0	0	0	106	S49 G53 L54	S49-P51 VanDerWaalsContact O-CD 3.25Å; S49-P51 WeakPolarHBondContact O-CD 3.43Å; P51-G53 PolarHBondContact O-N 3.32Å; P51-L54 HydrophobicContact CB-CB 4.11Å; P51-L54 HydrophobicContact CB-CD1 4.08Å; P51-L54 HydrophobicContact CG-CB 3.92Å; P51-L54 HydrophobicContact CG-CD1 4.48Å; P51-L54 PolarHBondContact O-N 3.06Å
52	D	38.7	Very low	56.3	Low	164 Å²	164	105.6 Å²	105.6	88%	0.877	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.2	117.7	167.8	-73.4	-31.4	0	0	0	107.5	K50	K50-D52 PolarHBondContact O-N 3.38Å
53	G	46.5	Very low	55.9	Low	78 Å²	78	107.3 Å²	107.3	80%	0.804	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	94.1	3.8	172.9	0	0	0	0	0	118.4	P51	P51-G53 PolarHBondContact O-N 3.32Å
54	L	44.1	Very low	55.7	Low	80 Å²	80	111.2 Å²	111.2	42%	0.419	59%	0.589	S	S	.	*			trans	-110.3	101.5	172.2	-82.7	158.1	0	0	0	110.9	P51 V56 A142	P51-L54 HydrophobicContact CB-CB 4.11Å; P51-L54 HydrophobicContact CB-CD1 4.08Å; P51-L54 HydrophobicContact CG-CB 3.92Å; P51-L54 HydrophobicContact CG-CD1 4.48Å; P51-L54 PolarHBondContact O-N 3.06Å; L54-V56 HydrophobicContact CD2-CG2 4.4Å; L54-V56 PolarHBondContact O-N 3.4Å; L54-A142 HydrophobicContact CD2-CB 4.42Å
55	T	40.8	Very low	56	Low	145 Å²	145	114.3 Å²	114.3	89%	0.89	60%	0.604	S	S	*	*			trans	-69.2	33.4	174.1	47.1	0	0	0	0	113.6	N57	T55-N57 PolarHBondContact O-N 3.49Å
56	V	51.4	Low	56.5	Low	84 Å²	84	111.2 Å²	111.2	51%	0.509	59%	0.59	S	S	.	*			trans	-88.7	104.5	173.1	-169	0	0	0	0	107.5	L54 R58	L54-V56 HydrophobicContact CD2-CG2 4.4Å; L54-V56 PolarHBondContact O-N 3.4Å; V56-R58 HydrophobicContact CB-CG 4.36Å; V56-R58 HydrophobicContact CG1-CG 3.8Å; V56-R58 PolarHBondContact O-N 3.31Å
57	N	45.2	Very low	57.6	Low	168 Å²	168	119.4 Å²	119.4	90%	0.898	62%	0.618	S	S	*	*			trans	-63	74.8	167.2	-76.4	-37.3	0	0	0	109.7	T55 K59	T55-N57 PolarHBondContact O-N 3.49Å; N57-K59 PolarHBondContact O-N 3.14Å
58	R	52.5	Low	58.7	Low	187 Å²	187	116 Å²	116	71%	0.706	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-72	125.2	168.4	-67.1	-171.4	176.5	-178.6	-0.9	106.6	V56	V56-R58 HydrophobicContact CB-CG 4.36Å; V56-R58 HydrophobicContact CG1-CG 3.8Å; V56-R58 PolarHBondContact O-N 3.31Å
59	K	55.3	Low	60.3	Low	197 Å²	197	110.7 Å²	110.7	86%	0.857	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-46.9	129.5	166.8	-79.7	-176.5	178.6	177.2	0	107.3	N57 S61	N57-K59 PolarHBondContact O-N 3.14Å; K59-S61 PolarHBondContact O-N 2.93Å
60	P	56.5	Low	61.9	Low	111 Å²	111	107.1 Å²	107.1	72%	0.721	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-53.4	133.2	178.8	19.3	-29.6	0	0	0	108.6	K62	P60-K62 PolarHBondContact O-N 3.19Å
61	S	62.6	Low	63.9	Low	45 Å²	45	102.8 Å²	102.8	32%	0.315	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-54.4	127.1	174	172.6	0	0	0	0	108.1	K59 F63 L64	K59-S61 PolarHBondContact O-N 2.93Å; S61-F63 PolarHBondContact O-N 3.38Å; S61-F63 VanDerWaalsContact O-N 3.16Å; S61-F63 PolarHBondContact OG-N 2.96Å; S61-F63 VanDerWaalsContact OG-N 3.12Å; S61-F63 PolarHBondContact OG-O 3.05Å; S61-L64 WeakPolarHBondContact O-CD2 2.99Å; S61-L64 WeakPolarHBondContact O-CG 3.13Å
62	K	70.5	Confident	65.6	Low	200 Å²	200	99.5 Å²	99.5	87%	0.87	51%	0.509	S	S	*	.	S	Bend	trans	-59.6	-23.6	171.6	-65	-175.5	179.3	-176.8	0	111.3	P60 L64	P60-K62 PolarHBondContact O-N 3.19Å; K62-L64 PolarHBondContact O-N 2.91Å
63	F	71.6	Confident	67.7	Low	78 Å²	78	92.7 Å²	92.7	34%	0.342	47%	0.473	S	S	.	.			trans	-92.6	98	176.3	-46.9	-64.6	0	0	0	108.9	G46 S61 N89 H90	G46-F63 WeakPolarHBondContact CA-O 3.36Å; S61-F63 PolarHBondContact O-N 3.38Å; S61-F63 VanDerWaalsContact O-N 3.16Å; S61-F63 PolarHBondContact OG-N 2.96Å; S61-F63 VanDerWaalsContact OG-N 3.12Å; S61-F63 PolarHBondContact OG-O 3.05Å; F63-N89 WeakPolarHBondContact CD1-O 3.23Å; F63-N89 WeakPolarHBondContact CE1-O 3.29Å; F63-H90 HydrophobicContact CB-CB 3.73Å; F63-H90 HydrophobicContact CD1-CB 4.03Å; F63-H90 HydrophobicContact CD2-CB 3.48Å; F63-H90 VanDerWaalsContact CD2-CB 3.48Å; F63-H90 HydrophobicContact CE1-CB 4.49Å; F63-H90 HydrophobicContact CE2-CB 4.03Å; F63-H90 HydrophobicContact CG-CB 3.46Å; F63-H90 VanDerWaalsContact CG-CB 3.46Å; F63-H90 HydrophobicContact CZ-CB 4.49Å
64	L	74.3	Confident	69.3	Low	82 Å²	82	90.4 Å²	90.4	43%	0.429	44%	0.444	S	S	.	.			trans	-103.8	152.6	175.4	-62.4	178.1	0	0	0	110	S61 K62 C66 N89	S61-L64 WeakPolarHBondContact O-CD2 2.99Å; S61-L64 WeakPolarHBondContact O-CG 3.13Å; K62-L64 PolarHBondContact O-N 2.91Å; L64-C66 PolarHBondContact O-N 2.83Å; L64-N89 PolarHBondContact O-ND2 3.36Å
65	N	78.5	Confident	71.1	Confident	105 Å²	105	90.5 Å²	90.5	56%	0.561	45%	0.445	S	S	*	.	S	Bend	trans	51.4	51.3	170.7	-60.7	-22.3	0	0	0	113.9	G46 R67	G46-N65 PolarHBondContact O-N 3.5Å; N65-R67 PolarHBondContact O-N 3.5Å; N65-R67 VanDerWaalsContact O-N 3.15Å
66	C	80.7	Confident	72.8	Confident	1 Å²	1	86.6 Å²	86.6	1%	0.007	43%	0.434	C	S	.	.			trans	-57.6	123.9	174	-170.4	0	0	0	0	109.4	C43 F45 L64 S68	C43-C66 HydrophobicContact CB-CB 3.98Å; C43-C66 VanDerWaalsContact SG-SG 3.63Å; F45-C66 HydrophobicContact CB-CB 4.44Å; F45-C66 VanDerWaalsContact O-CB 3.25Å; F45-C66 WeakPolarHBondContact O-CB 3.28Å; F45-C66 PolarHBondContact O-N 3.14Å; L64-C66 PolarHBondContact O-N 2.83Å; C66-S68 VanDerWaalsContact C-N 3.27Å
67	R	85.5	Confident	74	Confident	182 Å²	182	88.7 Å²	88.7	69%	0.687	44%	0.439	S	S	*	.			trans	-91.2	9.9	-178.4	-62.8	-170.6	-177.6	-175.2	2.2	112.4	N65 M69 K85	N65-R67 PolarHBondContact O-N 3.5Å; N65-R67 VanDerWaalsContact O-N 3.15Å; R67-M69 PolarHBondContact O-N 3.31Å; R67-K85 HydrophobicContact CB-CD 4.38Å; R67-K85 WeakPolarHBondContact O-CD 3.33Å
68	S	84.5	Confident	75.4	Confident	0 Å²	0	83.7 Å²	83.7	0%	0	41%	0.41	C	S	.	.			trans	-68.7	125.9	176.9	-179.1	0	0	0	0	109.3	H20 C43 C66 K85 H88	H20-S68 PolarHBondContact CD2-O 3.12Å; H20-S68 PolarHBondContact CE1-OG 3.45Å; H20-S68 PolarHBondContact NE2-O 3.25Å; H20-S68 PolarHBondContact NE2-OG 3.15Å; C43-S68 WeakPolarHBondContact CB-O 3.46Å; C43-S68 PolarHBondContact N-O 3.14Å; C66-S68 VanDerWaalsContact C-N 3.27Å; S68-K85 CarbonylContact C-O 3.45Å; S68-K85 WeakPolarHBondContact CA-O 3.31Å; S68-K85 PolarHBondContact OG-O 3Å; S68-K85 VanDerWaalsContact OG-O 3.09Å; S68-H88 PolarHBondContact OG-CE1 3.39Å; S68-H88 PolarHBondContact OG-NE2 3.37Å
69	M	86.1	Confident	76.6	Confident	63 Å²	63	75.2 Å²	75.2	31%	0.31	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	155.7	-179.6	70.7	-168.8	-38.2	0	0	111.7	L23 F41 Q42 R67 F84 K85	L23-M69 HydrophobicContact CD2-CE 3.93Å; F41-M69 CarbonylContact O-C 3.47Å; F41-M69 WeakPolarHBondContact O-CA 3.29Å; F41-M69 WeakPolarHBondContact O-CB 3.41Å; Q42-M69 HydrophobicContact CB-CB 4.39Å; R67-M69 PolarHBondContact O-N 3.31Å; M69-F84 CarbonylContact O-C 3.54Å; M69-F84 WeakPolarHBondContact O-CA 3.49Å; M69-K85 PolarHBondContact N-O 3.08Å; M69-K85 PolarHBondContact O-N 2.88Å
70	F	84.9	Confident	77.8	Confident	19 Å²	19	66.7 Å²	66.7	8%	0.083	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	148.6	171.6	61.1	-85.4	0	0	0	110.6	H20 F41 I72 I81 S83 F84 M86	H20-F70 HydrophobicContact CB-CE1 3.82Å; H20-F70 HydrophobicContact CB-CZ 4.5Å; H20-F70 AromaticContact CD2-CD1 3.98Å; H20-F70 AromaticContact CD2-CE1 3.95Å; H20-F70 AromaticContact CG-CE1 3.63Å; H20-F70 AromaticContact ND1-CE1 3.84Å; F41-F70 HydrophobicContact CB-CD1 3.87Å; F41-F70 HydrophobicContact CB-CD2 4.09Å; F41-F70 HydrophobicContact CB-CE1 3.46Å; F41-F70 VanDerWaalsContact CB-CE1 3.46Å; F41-F70 HydrophobicContact CB-CE2 3.7Å; F41-F70 HydrophobicContact CB-CG 4.16Å; F41-F70 HydrophobicContact CB-CZ 3.37Å; F41-F70 HydrophobicContact CD1-CZ 4.1Å; F41-F70 HydrophobicContact CD2-CD2 4.01Å; F41-F70 AromaticContact CD2-CE2 3.38Å; F41-F70 HydrophobicContact CD2-CE2 3.38Å; F41-F70 AromaticContact CD2-CZ 3.76Å; F41-F70 HydrophobicContact CD2-CZ 3.76Å; F41-F70 HydrophobicContact CE2-CE2 4.13Å; F41-F70 HydrophobicContact CG-CD2 4.36Å; F41-F70 HydrophobicContact CG-CE1 4.11Å; F41-F70 AromaticContact CG-CE2 3.63Å; F41-F70 HydrophobicContact CG-CE2 3.63Å; F41-F70 AromaticContact CG-CZ 3.48Å; F41-F70 HydrophobicContact CG-CZ 3.48Å; F41-F70 VanDerWaalsContact CG-CZ 3.48Å; F41-F70 PolarHBondContact N-O 2.96Å; F41-F70 PolarHBondContact O-N 2.72Å; F70-I72 HydrophobicContact CD2-CD1 4.12Å; F70-I72 HydrophobicContact CD2-CG1 4.1Å; F70-I72 HydrophobicContact CE2-CD1 3.68Å; F70-I72 HydrophobicContact CE2-CG1 4.18Å; F70-I81 HydrophobicContact CB-CG2 4.46Å; F70-S83 CarbonylContact C-O 3.57Å; F70-S83 WeakPolarHBondContact CA-O 3.5Å; F70-F84 HydrophobicContact CB-CB 3.86Å; F70-M86 HydrophobicContact CB-SD 4.08Å; F70-M86 HydrophobicContact CD1-CE 3.83Å; F70-M86 HydrophobicContact CD1-SD 4.19Å; F70-M86 HydrophobicContact CE1-CE 4.43Å
71	R	84.6	Confident	79.1	Confident	90 Å²	90	64.5 Å²	64.5	34%	0.34	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	123	179.6	-177.9	178.2	-176.1	-177.2	4.7	109.5	M40 I81 K82 S83	M40-R71 HydrophobicContact CG-CB 4.22Å; M40-R71 HydrophobicContact CG-CG 3.97Å; R71-I81 CarbonylContact O-C 3.54Å; R71-I81 WeakPolarHBondContact O-CA 3.45Å; R71-K82 PolarHBondContact O-N 3.43Å; R71-S83 WeakPolarHBondContact CB-OG 3.49Å; R71-S83 PolarHBondContact N-O 3.34Å
72	I	83.5	Confident	80.1	Confident	11 Å²	11	68.3 Å²	68.3	6%	0.056	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	136.9	169.2	-70.5	166.1	0	0	0	108.2	F3 Y38 V39 F41 F70 Y79 V80 I81	F3-I72 HydrophobicContact CE1-CD1 3.59Å; F3-I72 HydrophobicContact CE1-CG1 4.25Å; F3-I72 HydrophobicContact CE1-CG2 4.31Å; F3-I72 HydrophobicContact CZ-CD1 3.9Å; Y38-I72 CarbonylContact C-O 3.46Å; Y38-I72 WeakPolarHBondContact CA-O 3.18Å; Y38-I72 VanDerWaalsContact CB-O 3.29Å; Y38-I72 WeakPolarHBondContact CB-O 3.43Å; V39-I72 PolarHBondContact N-O 3.18Å; V39-I72 PolarHBondContact O-N 3.18Å; F41-I72 HydrophobicContact CD2-CD1 4.1Å; F41-I72 HydrophobicContact CE2-CD1 3.72Å; F70-I72 HydrophobicContact CD2-CD1 4.12Å; F70-I72 HydrophobicContact CD2-CG1 4.1Å; F70-I72 HydrophobicContact CE2-CD1 3.68Å; F70-I72 HydrophobicContact CE2-CG1 4.18Å; I72-Y79 HydrophobicContact CG2-CD1 3.44Å; I72-Y79 VanDerWaalsContact CG2-CD1 3.44Å; I72-Y79 HydrophobicContact CG2-CE1 4.34Å; I72-Y79 HydrophobicContact CG2-CG 3.9Å; I72-V80 CarbonylContact C-O 3.4Å; I72-V80 WeakPolarHBondContact CA-O 3.2Å; I72-I81 HydrophobicContact CG1-CG1 4.03Å
73	T	82.4	Confident	80.7	Confident	20 Å²	20	61.8 Å²	61.8	12%	0.123	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	146	176.7	-57.8	0	0	0	0	109	I37 Y79 V80 K82	I37-T73 CarbonylContact O-C 3.33Å; I37-T73 VanDerWaalsContact O-CA 3.29Å; I37-T73 WeakPolarHBondContact O-CA 3.4Å; I37-T73 VanDerWaalsContact O-CG2 3.3Å; I37-T73 WeakPolarHBondContact O-CG2 3.4Å; T73-Y79 WeakPolarHBondContact O-CA 3.27Å; T73-V80 PolarHBondContact N-O 2.92Å; T73-V80 PolarHBondContact O-N 3.21Å; T73-K82 HydrophobicContact CG2-CG 4.36Å; T73-K82 WeakPolarHBondContact OG1-CG 3.34Å
74	S	80.3	Confident	81.3	Confident	30 Å²	30	63.5 Å²	63.5	21%	0.21	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	125.5	169.3	59.3	0	0	0	0	109.7	I37	I37-S74 PolarHBondContact O-N 2.83Å; I37-S74 PolarHBondContact O-OG 3.49Å
75	D	80.8	Confident	81.8	Confident	82 Å²	82	64 Å²	64	44%	0.439	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	102.3	175.5	-155.5	-21.5	0	0	0	108.5	E77 E78 V80 K82	D75-E77 PolarHBondContact O-N 2.94Å; D75-E77 VanDerWaalsContact O-N 3.12Å; D75-E78 PolarHBondContact N-O 2.74Å; D75-E78 PolarHBondContact O-N 3.24Å; D75-V80 HydrophobicContact CB-CB 4.47Å; D75-V80 HydrophobicContact CB-CG1 3.99Å; D75-V80 HydrophobicContact CB-CG2 3.65Å; D75-K82 IonicContact OD2-NZ 2.74Å; D75-K82 PolarHBondContact OD2-NZ 3.09Å
76	G	77.1	Confident	81.9	Confident	64 Å²	64	61.4 Å²	61.4	66%	0.66	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	-113.5	-172.2	0	0	0	0	0	112.7
77	E	75.7	Confident	82	Confident	128 Å²	128	68 Å²	68	60%	0.598	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	14.2	-179.7	-59.7	-156.5	154.4	0	0	114.4	R33 F34 D75	R33-E77 IonicContact CZ-OE2 2.8Å; R33-E77 VanDerWaalsContact CZ-OE2 3.23Å; R33-E77 IonicContact NH1-OE1 3.42Å; R33-E77 PolarHBondContact NH1-OE1 3.47Å; R33-E77 VanDerWaalsContact NH1-OE1 3.1Å; R33-E77 IonicContact NH1-OE2 3.1Å; R33-E77 PolarHBondContact NH1-OE2 2.99Å; R33-E77 IonicContact NH2-OE2 2.72Å; R33-E77 PolarHBondContact NH2-OE2 2.88Å; F34-E77 VanDerWaalsContact CZ-O 3.25Å; F34-E77 WeakPolarHBondContact CZ-O 3.49Å; D75-E77 PolarHBondContact O-N 2.94Å; D75-E77 VanDerWaalsContact O-N 3.12Å
78	E	76.6	Confident	81.8	Confident	63 Å²	63	61.4 Å²	61.4	29%	0.294	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	162.3	-179.7	-62.4	-173.2	169	0	0	112.3	K4 D75	K4-E78 WeakPolarHBondContact CE-OE1 3.49Å; K4-E78 IonicContact NZ-OE1 3.23Å; K4-E78 PolarHBondContact NZ-OE1 3.03Å; D75-E78 PolarHBondContact N-O 2.74Å; D75-E78 PolarHBondContact O-N 3.24Å
79	Y	77.2	Confident	81.8	Confident	8 Å²	8	64.8 Å²	64.8	3%	0.031	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	125.5	168.8	-86.5	-69.2	0	0	0	109	M1 F34 R35 Y36 I72 T73	M1-Y79 HydrophobicContact CE-CD2 3.48Å; M1-Y79 VanDerWaalsContact CE-CD2 3.48Å; M1-Y79 HydrophobicContact CE-CE2 3.07Å; M1-Y79 HydrophobicContact CG-CD2 4.14Å; M1-Y79 HydrophobicContact SD-CD2 3.35Å; M1-Y79 WeakPolarHBondContact SD-CD2 3.49Å; M1-Y79 HydrophobicContact SD-CE2 3.66Å; M1-Y79 HydrophobicContact SD-CG 4.11Å; F34-Y79 WeakPolarHBondContact CA-OH 3.34Å; F34-Y79 HydrophobicContact CB-CE2 4.45Å; F34-Y79 HydrophobicContact CD1-CD1 4.28Å; F34-Y79 AromaticContact CD1-CD2 3.63Å; F34-Y79 HydrophobicContact CD1-CD2 3.63Å; F34-Y79 AromaticContact CD1-CE1 3.92Å; F34-Y79 HydrophobicContact CD1-CE1 3.92Å; F34-Y79 AromaticContact CD1-CE2 3.16Å; F34-Y79 HydrophobicContact CD1-CE2 3.16Å; F34-Y79 HydrophobicContact CD1-CG 4.18Å; F34-Y79 AromaticContact CD1-CZ 3.36Å; F34-Y79 AromaticContact CE1-CD2 3.49Å; F34-Y79 HydrophobicContact CE1-CD2 3.49Å; F34-Y79 VanDerWaalsContact CE1-CD2 3.49Å; F34-Y79 AromaticContact CE1-CE2 3.52Å; F34-Y79 HydrophobicContact CE1-CE2 3.52Å; F34-Y79 HydrophobicContact CE1-CG 4.03Å; F34-Y79 HydrophobicContact CG-CE2 4.19Å; R35-Y79 PolarHBondContact N-OH 2.96Å; Y36-Y79 PolarHBondContact N-OH 3.45Å; Y36-Y79 WeakPolarHBondContact O-CE1 3.39Å; Y36-Y79 PolarHBondContact O-OH 3.19Å; I72-Y79 HydrophobicContact CG2-CD1 3.44Å; I72-Y79 VanDerWaalsContact CG2-CD1 3.44Å; I72-Y79 HydrophobicContact CG2-CE1 4.34Å; I72-Y79 HydrophobicContact CG2-CG 3.9Å; T73-Y79 WeakPolarHBondContact O-CA 3.27Å
80	V	79.9	Confident	81.4	Confident	18 Å²	18	62.3 Å²	62.3	11%	0.109	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	143.4	-177.6	-58	0	0	0	0	110.9	I72 T73 D75 K82	I72-V80 CarbonylContact C-O 3.4Å; I72-V80 WeakPolarHBondContact CA-O 3.2Å; T73-V80 PolarHBondContact N-O 2.92Å; T73-V80 PolarHBondContact O-N 3.21Å; D75-V80 HydrophobicContact CB-CB 4.47Å; D75-V80 HydrophobicContact CB-CG1 3.99Å; D75-V80 HydrophobicContact CB-CG2 3.65Å; V80-K82 HydrophobicContact CG2-CD 4.28Å; V80-K82 HydrophobicContact CG2-CG 4.15Å; V80-K82 PolarHBondContact O-N 3.42Å
81	I	83.1	Confident	80.9	Confident	66 Å²	66	65.7 Å²	65.7	34%	0.338	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	106.6	169.4	-60.3	173.7	0	0	0	107.2	F70 R71 I72 F84	F70-I81 HydrophobicContact CB-CG2 4.46Å; R71-I81 CarbonylContact O-C 3.54Å; R71-I81 WeakPolarHBondContact O-CA 3.45Å; I72-I81 HydrophobicContact CG1-CG1 4.03Å; I81-F84 HydrophobicContact CG2-CB 4.31Å; I81-F84 HydrophobicContact CG2-CD1 4.14Å
82	K	83.5	Confident	80.1	Confident	124 Å²	124	63.4 Å²	63.4	54%	0.539	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	-32.2	179	-76.9	-79.2	179.9	-171.2	0	112.3	R71 T73 D75 V80	R71-K82 PolarHBondContact O-N 3.43Å; T73-K82 HydrophobicContact CG2-CG 4.36Å; T73-K82 WeakPolarHBondContact OG1-CG 3.34Å; D75-K82 IonicContact OD2-NZ 2.74Å; D75-K82 PolarHBondContact OD2-NZ 3.09Å; V80-K82 HydrophobicContact CG2-CD 4.28Å; V80-K82 HydrophobicContact CG2-CG 4.15Å; V80-K82 PolarHBondContact O-N 3.42Å
83	S	83.5	Confident	79.2	Confident	64 Å²	64	65.4 Å²	65.4	45%	0.448	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	149.4	179.9	62.8	0	0	0	0	111.3	F70 R71	F70-S83 CarbonylContact C-O 3.57Å; F70-S83 WeakPolarHBondContact CA-O 3.5Å; R71-S83 WeakPolarHBondContact CB-OG 3.49Å; R71-S83 PolarHBondContact N-O 3.34Å
84	F	84.6	Confident	78.1	Confident	114 Å²	114	69.3 Å²	69.3	50%	0.5	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	154.1	175.7	63.6	-99.9	0	0	0	112.5	M8 M69 F70 I81 M86	M8-F84 HydrophobicContact CE-CE1 4.45Å; M8-F84 HydrophobicContact SD-CD1 4.49Å; M8-F84 HydrophobicContact SD-CE1 3.38Å; M8-F84 WeakPolarHBondContact SD-CE1 3.37Å; M8-F84 HydrophobicContact SD-CZ 3.86Å; M69-F84 CarbonylContact O-C 3.54Å; M69-F84 WeakPolarHBondContact O-CA 3.49Å; F70-F84 HydrophobicContact CB-CB 3.86Å; I81-F84 HydrophobicContact CG2-CB 4.31Å; I81-F84 HydrophobicContact CG2-CD1 4.14Å; F84-M86 HydrophobicContact CB-CG 4.11Å; F84-M86 HydrophobicContact CB-SD 3.77Å; F84-M86 HydrophobicContact CD2-CG 3.76Å; F84-M86 HydrophobicContact CG-CG 4.22Å
85	K	85.8	Confident	77	Confident	91 Å²	91	74.2 Å²	74.2	40%	0.396	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	97.6	165.5	176.9	169.6	178.7	168.5	0	105.9	R67 S68 M69 L87	R67-K85 HydrophobicContact CB-CD 4.38Å; R67-K85 WeakPolarHBondContact O-CD 3.33Å; S68-K85 CarbonylContact C-O 3.45Å; S68-K85 WeakPolarHBondContact CA-O 3.31Å; S68-K85 PolarHBondContact OG-O 3Å; S68-K85 VanDerWaalsContact OG-O 3.09Å; M69-K85 PolarHBondContact N-O 3.08Å; M69-K85 PolarHBondContact O-N 2.88Å; K85-L87 VanDerWaalsContact C-N 3.32Å
86	M	79.3	Confident	76.1	Confident	51 Å²	51	71.4 Å²	71.4	25%	0.251	40%	0.396	S	S	.	.			trans	-97	18.7	-175.1	-53.4	-39.5	-72.4	0	0	113.2	T16 F70 F84 H88	T16-M86 HydrophobicContact CG2-CE 3.06Å; T16-M86 HydrophobicContact CG2-CG 4.47Å; F70-M86 HydrophobicContact CB-SD 4.08Å; F70-M86 HydrophobicContact CD1-CE 3.83Å; F70-M86 HydrophobicContact CD1-SD 4.19Å; F70-M86 HydrophobicContact CE1-CE 4.43Å; F84-M86 HydrophobicContact CB-CG 4.11Å; F84-M86 HydrophobicContact CB-SD 3.77Å; F84-M86 HydrophobicContact CD2-CG 3.76Å; F84-M86 HydrophobicContact CG-CG 4.22Å; M86-H88 PolarHBondContact O-CD2 2.79Å; M86-H88 PolarHBondContact O-N 3.16Å
87	L	82.5	Confident	75.3	Confident	139 Å²	139	71 Å²	71	73%	0.728	38%	0.378	S	S	*	.			trans	-85.2	106.4	177.4	-68.3	174.4	0	0	0	109.6	K85	K85-L87 VanDerWaalsContact C-N 3.32Å
88	H	82.2	Confident	74.4	Confident	45 Å²	45	67 Å²	67	21%	0.208	36%	0.362	C	S	.	.			trans	-85.5	141.9	171.6	-66.9	-91.6	0	0	0	110.4	H20 C43 S68 M86 H90 C92	H20-H88 AromaticContact CE1-CE1 3.52Å; H20-H88 AromaticContact CE1-NE2 3.65Å; H20-H88 AromaticContact NE2-CE1 3.94Å; C43-H88 PolarHBondContact SG-ND1 2.68Å; S68-H88 PolarHBondContact OG-CE1 3.39Å; S68-H88 PolarHBondContact OG-NE2 3.37Å; M86-H88 PolarHBondContact O-CD2 2.79Å; M86-H88 PolarHBondContact O-N 3.16Å; H88-H90 VanDerWaalsContact C-N 3.27Å; H88-H90 WeakPolarHBondContact CB-O 3.49Å; H88-H90 AromaticContact CG-CE1 3.98Å; H88-H90 AromaticContact CG-NE2 3.75Å; H88-H90 AromaticContact ND1-CE1 3.4Å; H88-H90 PolarHBondContact ND1-CE1 3.41Å; H88-H90 AromaticContact ND1-NE2 3.02Å; H88-H90 PolarHBondContact ND1-NE2 3.39Å; H88-C92 PolarHBondContact CD2-SG 2.63Å; H88-C92 PolarHBondContact ND1-SG 3.29Å
89	N	83.3	Confident	73.6	Confident	71 Å²	71	71.9 Å²	71.9	38%	0.38	38%	0.379	S	S	.	.	S	Bend	trans	-88.7	3.6	171.2	66.6	-5.5	0	0	0	112.7	F63 L64	F63-N89 WeakPolarHBondContact CD1-O 3.23Å; F63-N89 WeakPolarHBondContact CE1-O 3.29Å; L64-N89 PolarHBondContact O-ND2 3.36Å
90	H	78.4	Confident	73	Confident	11 Å²	11	72.9 Å²	72.9	5%	0.051	38%	0.384	C	S	.	.	S	Bend	trans	-127.1	157.7	179	59.3	88.1	0	0	0	109.5	C43 F45 F63 H88 C92	C43-H90 PolarHBondContact SG-NE2 3.47Å; F45-H90 WeakPolarHBondContact CB-CD2 3.43Å; F45-H90 WeakPolarHBondContact CB-NE2 3.36Å; F45-H90 HydrophobicContact CD1-CB 4.19Å; F45-H90 AromaticContact CD1-CG 3.79Å; F45-H90 AromaticContact CD1-ND1 3.95Å; F45-H90 AromaticContact CD2-CE1 3.57Å; F45-H90 AromaticContact CD2-ND1 3.89Å; F45-H90 AromaticContact CD2-NE2 3.95Å; F45-H90 AromaticContact CG-CD2 3.71Å; F45-H90 AromaticContact CG-CE1 3.6Å; F45-H90 AromaticContact CG-CG 3.81Å; F45-H90 AromaticContact CG-ND1 3.74Å; F45-H90 AromaticContact CG-NE2 3.62Å; F63-H90 HydrophobicContact CB-CB 3.73Å; F63-H90 HydrophobicContact CD1-CB 4.03Å; F63-H90 HydrophobicContact CD2-CB 3.48Å; F63-H90 VanDerWaalsContact CD2-CB 3.48Å; F63-H90 HydrophobicContact CE1-CB 4.49Å; F63-H90 HydrophobicContact CE2-CB 4.03Å; F63-H90 HydrophobicContact CG-CB 3.46Å; F63-H90 VanDerWaalsContact CG-CB 3.46Å; F63-H90 HydrophobicContact CZ-CB 4.49Å; H88-H90 VanDerWaalsContact C-N 3.27Å; H88-H90 WeakPolarHBondContact CB-O 3.49Å; H88-H90 AromaticContact CG-CE1 3.98Å; H88-H90 AromaticContact CG-NE2 3.75Å; H88-H90 AromaticContact ND1-CE1 3.4Å; H88-H90 PolarHBondContact ND1-CE1 3.41Å; H88-H90 AromaticContact ND1-NE2 3.02Å; H88-H90 PolarHBondContact ND1-NE2 3.39Å; H90-C92 PolarHBondContact CE1-SG 3.33Å; H90-C92 PolarHBondContact O-N 2.75Å
91	P	73.8	Confident	72.4	Confident	89 Å²	89	75.7 Å²	75.7	58%	0.578	40%	0.403	S	S	*	.			trans	-57	130.4	168.3	-23.1	33.6	0	0	0	110.7
92	C	68.7	Low	71.6	Confident	43 Å²	43	78.9 Å²	78.9	29%	0.291	41%	0.411	S	S	.	.			trans	-108.1	86.9	168.5	-69.4	0	0	0	0	107.7	H88 H90	H88-C92 PolarHBondContact CD2-SG 2.63Å; H88-C92 PolarHBondContact ND1-SG 3.29Å; H90-C92 PolarHBondContact CE1-SG 3.33Å; H90-C92 PolarHBondContact O-N 2.75Å
93	S	64.7	Low	70.9	Confident	52 Å²	52	75.5 Å²	75.5	36%	0.364	40%	0.403	S	S	.	.			trans	-104.7	151.5	171	65.8	0	0	0	0	109.9	L95 S96 M97	S93-L95 PolarHBondContact O-N 3.28Å; S93-L95 VanDerWaalsContact O-N 3.11Å; S93-S96 PolarHBondContact N-OG 3.02Å; S93-S96 WeakPolarHBondContact O-CB 3.01Å; S93-S96 PolarHBondContact O-N 3.49Å; S93-S96 PolarHBondContact O-OG 3.26Å; S93-S96 PolarHBondContact OG-N 2.97Å; S93-M97 PolarHBondContact O-N 3.27Å
94	C	58.4	Low	70.6	Confident	103 Å²	103	73.6 Å²	73.6	70%	0.696	39%	0.386	S	S	*	.	H	α-helix	trans	-55.6	-28.6	171.6	-57	0	0	0	0	111.9	S96 M97	C94-S96 PolarHBondContact O-N 3.18Å; C94-M97 HydrophobicContact CB-SD 4.37Å; C94-M97 VanDerWaalsContact O-CB 3.23Å; C94-M97 WeakPolarHBondContact O-CB 3.25Å; C94-M97 PolarHBondContact O-N 3.44Å; C94-M97 VanDerWaalsContact O-N 3.12Å
95	L	58.7	Low	70.4	Confident	133 Å²	133	73.5 Å²	73.5	70%	0.696	38%	0.382	S	S	*	.	H	α-helix	trans	-63.7	-38.7	173.9	-64.7	173.2	0	0	0	112.6	S93 M97 V98	S93-L95 PolarHBondContact O-N 3.28Å; S93-L95 VanDerWaalsContact O-N 3.11Å; L95-M97 PolarHBondContact O-N 2.86Å; L95-V98 PolarHBondContact O-N 3.12Å
96	S	61	Low	70.2	Confident	23 Å²	23	69.9 Å²	69.9	16%	0.161	37%	0.367	C	S	.	.	H	α-helix	trans	-64	-25.3	175.2	70.8	0	0	0	0	112.4	S93 C94 V98 Y99	S93-S96 PolarHBondContact N-OG 3.02Å; S93-S96 WeakPolarHBondContact O-CB 3.01Å; S93-S96 PolarHBondContact O-N 3.49Å; S93-S96 PolarHBondContact O-OG 3.26Å; S93-S96 PolarHBondContact OG-N 2.97Å; C94-S96 PolarHBondContact O-N 3.18Å; S96-V98 VanDerWaalsContact C-N 3.33Å; S96-V98 PolarHBondContact O-N 3.35Å; S96-Y99 PolarHBondContact O-N 2.92Å
97	M	59.6	Low	70.4	Confident	55 Å²	55	69.8 Å²	69.8	27%	0.271	37%	0.37	S	S	.	.	H	α-helix	trans	-69.7	-29.9	179.8	-57.7	172.5	54.2	0	0	112.3	H18 S93 C94 L95 Y99 N100 S103	H18-M97 HydrophobicContact CB-CE 3.81Å; H18-M97 WeakPolarHBondContact ND1-CE 3.23Å; S93-M97 PolarHBondContact O-N 3.27Å; C94-M97 HydrophobicContact CB-SD 4.37Å; C94-M97 VanDerWaalsContact O-CB 3.23Å; C94-M97 WeakPolarHBondContact O-CB 3.25Å; C94-M97 PolarHBondContact O-N 3.44Å; C94-M97 VanDerWaalsContact O-N 3.12Å; L95-M97 PolarHBondContact O-N 2.86Å; M97-Y99 PolarHBondContact O-N 3.11Å; M97-Y99 VanDerWaalsContact O-N 3.16Å; M97-N100 VanDerWaalsContact O-CB 3.29Å; M97-N100 WeakPolarHBondContact O-CB 2.96Å; M97-N100 PolarHBondContact O-N 2.81Å; M97-S103 PolarHBondContact O-OG 3.33Å
98	V	57.9	Low	70.4	Confident	45 Å²	45	68 Å²	68	27%	0.273	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-25.5	179.1	-172.2	0	0	0	0	111.6	L95 S96 S103 Q138	L95-V98 PolarHBondContact O-N 3.12Å; S96-V98 VanDerWaalsContact C-N 3.33Å; S96-V98 PolarHBondContact O-N 3.35Å; V98-S103 PolarHBondContact O-OG 3.36Å; V98-Q138 HydrophobicContact CG1-CB 3.69Å; V98-Q138 HydrophobicContact CG1-CG 4.03Å
99	Y	59.9	Low	70.6	Confident	165 Å²	165	73 Å²	73	65%	0.647	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	0.7	176.9	-60.4	-71.2	0	0	0	114.5	S96 M97 R104	S96-Y99 PolarHBondContact O-N 2.92Å; M97-Y99 PolarHBondContact O-N 3.11Å; M97-Y99 VanDerWaalsContact O-N 3.16Å; Y99-R104 PolarHBondContact O-NH1 3.25Å
100	N	64	Low	70.9	Confident	28 Å²	28	71.6 Å²	71.6	15%	0.15	38%	0.383	C	S	.	.	S	Bend	trans	-70.4	126.6	172.2	-174.8	-19	0	0	0	109.6	H18 M97 W102 S103 R104	H18-N100 PolarHBondContact O-ND2 2.99Å; M97-N100 VanDerWaalsContact O-CB 3.29Å; M97-N100 WeakPolarHBondContact O-CB 2.96Å; M97-N100 PolarHBondContact O-N 2.81Å; N100-W102 PolarHBondContact O-N 3.47Å; N100-W102 WeakPolarHBondContact OD1-CB 3.32Å; N100-W102 VanDerWaalsContact OD1-CD1 3.27Å; N100-W102 PolarHBondContact OD1-N 3.16Å; N100-S103 PolarHBondContact O-N 2.72Å; N100-S103 PolarHBondContact O-OG 3.07Å; N100-R104 VanDerWaalsContact C-NH1 3.3Å; N100-R104 PolarHBondContact O-N 3.06Å; N100-R104 PolarHBondContact O-NH1 3.45Å
101	P	67.7	Low	71.2	Confident	77 Å²	77	73.7 Å²	73.7	50%	0.5	39%	0.393	S	S	.	.	H	α-helix	trans	-49.6	-33.4	174	-27.9	35.1	0	0	0	114.2	R104 R105	P101-R104 PolarHBondContact O-N 2.95Å; P101-R105 PolarHBondContact O-N 3.49Å
102	W	67.3	Low	71.8	Confident	134 Å²	134	75.1 Å²	75.1	51%	0.508	39%	0.392	S	S	.	.	H	α-helix	trans	-68.7	-36.2	179	-67.2	104.6	0	0	0	113.7	N100 R104 R105	N100-W102 PolarHBondContact O-N 3.47Å; N100-W102 WeakPolarHBondContact OD1-CB 3.32Å; N100-W102 VanDerWaalsContact OD1-CD1 3.27Å; N100-W102 PolarHBondContact OD1-N 3.16Å; W102-R104 PolarHBondContact O-N 3.33Å; W102-R105 VanDerWaalsContact CH2-CZ 3.47Å; W102-R105 VanDerWaalsContact CH2-NH1 3.33Å; W102-R105 PolarHBondContact O-N 2.62Å
103	S	68.2	Low	72.8	Confident	52 Å²	52	78.1 Å²	78.1	36%	0.364	41%	0.405	S	S	.	.	H	α-helix	trans	-71.4	-23.5	177.8	61.5	0	0	0	0	112.4	M97 V98 N100	M97-S103 PolarHBondContact O-OG 3.33Å; V98-S103 PolarHBondContact O-OG 3.36Å; N100-S103 PolarHBondContact O-N 2.72Å; N100-S103 PolarHBondContact O-OG 3.07Å
104	R	76.8	Confident	74	Confident	24 Å²	24	75.8 Å²	75.8	9%	0.091	39%	0.388	C	S	.	.	H	α-helix	trans	-86.5	-12.7	178.5	-53.8	-162.8	-57.3	-78.7	-2.7	113.8	Y99 N100 P101 W102 L106 Q138 D143	Y99-R104 PolarHBondContact O-NH1 3.25Å; N100-R104 VanDerWaalsContact C-NH1 3.3Å; N100-R104 PolarHBondContact O-N 3.06Å; N100-R104 PolarHBondContact O-NH1 3.45Å; P101-R104 PolarHBondContact O-N 2.95Å; W102-R104 PolarHBondContact O-N 3.33Å; R104-L106 PolarHBondContact O-N 2.71Å; R104-Q138 WeakPolarHBondContact CD-O 3.45Å; R104-Q138 WeakPolarHBondContact CG-O 3.26Å; R104-D143 WeakPolarHBondContact CD-OD2 3.26Å; R104-D143 IonicContact CZ-OD1 3.55Å; R104-D143 IonicContact CZ-OD2 2.75Å; R104-D143 IonicContact NE-OD1 2.82Å; R104-D143 IonicContact NE-OD2 3.29Å; R104-D143 PolarHBondContact NE-OD2 2.83Å; R104-D143 IonicContact NH2-OD1 3.51Å; R104-D143 PolarHBondContact NH2-OD1 3.42Å; R104-D143 IonicContact NH2-OD2 3.88Å
105	R	79.7	Confident	75.4	Confident	113 Å²	113	74.6 Å²	74.6	43%	0.426	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-64	127.8	175.9	-72.1	-172.6	-178.5	-161.5	-0.5	109.5	P101 W102 K137 D161	P101-R105 PolarHBondContact O-N 3.49Å; W102-R105 VanDerWaalsContact CH2-CZ 3.47Å; W102-R105 VanDerWaalsContact CH2-NH1 3.33Å; W102-R105 PolarHBondContact O-N 2.62Å; R105-K137 PolarHBondContact O-NZ 3.34Å; R105-D161 IonicContact NH2-OD2 2.86Å
106	L	83.3	Confident	76.8	Confident	15 Å²	15	72.1 Å²	72.1	8%	0.079	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-78.7	141.6	173.6	-69.6	164.6	0	0	0	109.1	R104 D110 E111 L114 M118 I131 T135 K137	R104-L106 PolarHBondContact O-N 2.71Å; L106-D110 HydrophobicContact CB-CB 4.35Å; L106-D110 HydrophobicContact CD2-CB 4.2Å; L106-E111 HydrophobicContact CB-CG 3.45Å; L106-E111 VanDerWaalsContact CB-CG 3.45Å; L106-E111 HydrophobicContact CD1-CG 4.38Å; L106-L114 HydrophobicContact CD1-CD1 3.65Å; L106-L114 HydrophobicContact CD2-CD1 4.08Å; L106-L114 HydrophobicContact CG-CD1 4.49Å; L106-M118 HydrophobicContact CD1-CE 4.02Å; L106-I131 HydrophobicContact CD1-CD1 4.39Å; L106-I131 HydrophobicContact CD1-CG2 4.45Å; L106-I131 HydrophobicContact CD2-CG2 3.92Å; L106-T135 HydrophobicContact CD2-CG2 3.99Å; L106-K137 HydrophobicContact CD2-CB 4.43Å; L106-K137 HydrophobicContact CD2-CD 4.02Å; L106-K137 HydrophobicContact CD2-CG 4.46Å
107	P	82.9	Confident	78.2	Confident	49 Å²	49	71.9 Å²	71.9	32%	0.318	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-63.7	154.2	168.3	30.1	-34.3	0	0	0	109.6	E109 D110 E111	P107-E109 VanDerWaalsContact C-N 3.25Å; P107-E109 PolarHBondContact O-N 2.93Å; P107-D110 WeakPolarHBondContact CD-OD2 3.48Å; P107-D110 HydrophobicContact CG-CB 3.75Å; P107-D110 VanDerWaalsContact CG-CG 3.41Å; P107-D110 WeakPolarHBondContact CG-OD2 3.15Å; P107-D110 PolarHBondContact O-N 2.77Å; P107-D110 VanDerWaalsContact O-N 3.11Å; P107-E111 PolarHBondContact O-N 3.39Å
108	P	82.7	Confident	79.5	Confident	100 Å²	100	69.7 Å²	69.7	65%	0.649	35%	0.35	S	S	*	.	H	α-helix	trans	-52.9	-41.5	-176.7	-27.7	35.1	0	0	0	113.6	D110 E111 E112	P108-D110 PolarHBondContact O-N 2.85Å; P108-E111 WeakPolarHBondContact O-CB 3.38Å; P108-E111 PolarHBondContact O-N 3.05Å; P108-E112 VanDerWaalsContact O-CG 3.27Å; P108-E112 WeakPolarHBondContact O-CG 3.47Å; P108-E112 PolarHBondContact O-N 3Å
109	E	86.5	Confident	80.9	Confident	151 Å²	151	72.8 Å²	72.8	71%	0.706	36%	0.364	S	S	*	.	H	α-helix	trans	-58.8	-48.1	178.3	-65	169	-161.2	0	0	112.1	P107 E111 E112 N113	P107-E109 VanDerWaalsContact C-N 3.25Å; P107-E109 PolarHBondContact O-N 2.93Å; E109-E111 VanDerWaalsContact C-N 3.33Å; E109-E111 PolarHBondContact O-N 2.72Å; E109-E112 PolarHBondContact O-N 3.38Å; E109-N113 VanDerWaalsContact O-CG 3.28Å; E109-N113 PolarHBondContact O-N 3.02Å; E109-N113 PolarHBondContact O-ND2 3.47Å; E109-N113 VanDerWaalsContact O-ND2 3.14Å
110	D	88.1	Confident	82.2	Confident	41 Å²	41	69.3 Å²	69.3	22%	0.219	36%	0.364	C	S	.	.	H	α-helix	trans	-64.5	-40	175.6	-69.5	-15.5	0	0	0	111.1	L106 P107 P108 E112 N113 L114 T135	L106-D110 HydrophobicContact CB-CB 4.35Å; L106-D110 HydrophobicContact CD2-CB 4.2Å; P107-D110 WeakPolarHBondContact CD-OD2 3.48Å; P107-D110 HydrophobicContact CG-CB 3.75Å; P107-D110 VanDerWaalsContact CG-CG 3.41Å; P107-D110 WeakPolarHBondContact CG-OD2 3.15Å; P107-D110 PolarHBondContact O-N 2.77Å; P107-D110 VanDerWaalsContact O-N 3.11Å; P108-D110 PolarHBondContact O-N 2.85Å; D110-E112 VanDerWaalsContact C-N 3.29Å; D110-E112 PolarHBondContact O-N 3.12Å; D110-N113 PolarHBondContact O-N 3.41Å; D110-L114 HydrophobicContact CB-CD1 4.42Å; D110-L114 VanDerWaalsContact O-CB 3.29Å; D110-L114 WeakPolarHBondContact O-CB 3.11Å; D110-L114 VanDerWaalsContact O-CD1 3.32Å; D110-L114 WeakPolarHBondContact O-CD1 3.35Å; D110-L114 VanDerWaalsContact O-CG 3.22Å; D110-L114 WeakPolarHBondContact O-CG 3.25Å; D110-L114 PolarHBondContact O-N 3.25Å; D110-T135 HydrophobicContact CB-CG2 3.91Å; D110-T135 WeakPolarHBondContact OD2-CG2 3.29Å
111	E	85.9	Confident	83.1	Confident	56 Å²	56	69 Å²	69	26%	0.262	36%	0.364	S	S	.	.	H	α-helix	trans	-57.6	-44.4	176.6	-70.5	-166.9	173.5	0	0	111.2	L106 P107 P108 E109 L114 K115 K147	L106-E111 HydrophobicContact CB-CG 3.45Å; L106-E111 VanDerWaalsContact CB-CG 3.45Å; L106-E111 HydrophobicContact CD1-CG 4.38Å; P107-E111 PolarHBondContact O-N 3.39Å; P108-E111 WeakPolarHBondContact O-CB 3.38Å; P108-E111 PolarHBondContact O-N 3.05Å; E109-E111 VanDerWaalsContact C-N 3.33Å; E109-E111 PolarHBondContact O-N 2.72Å; E111-L114 PolarHBondContact O-N 3.32Å; E111-K115 WeakPolarHBondContact O-CG 3.41Å; E111-K115 PolarHBondContact O-N 2.85Å; E111-K115 VanDerWaalsContact O-N 3.14Å; E111-K147 WeakPolarHBondContact OE1-CE 3.16Å; E111-K147 IonicContact OE1-NZ 3.78Å; E111-K147 PolarHBondContact OE1-NZ 3.05Å; E111-K147 IonicContact OE2-NZ 2.83Å; E111-K147 PolarHBondContact OE2-NZ 3.21Å
112	E	86.7	Confident	83.7	Confident	119 Å²	119	71 Å²	71	56%	0.556	38%	0.377	S	S	*	.	H	α-helix	trans	-65.7	-44.8	177.9	-57.5	-144.3	120.2	0	0	112.4	P108 E109 D110 L114 K115	P108-E112 VanDerWaalsContact O-CG 3.27Å; P108-E112 WeakPolarHBondContact O-CG 3.47Å; P108-E112 PolarHBondContact O-N 3Å; E109-E112 PolarHBondContact O-N 3.38Å; D110-E112 VanDerWaalsContact C-N 3.29Å; D110-E112 PolarHBondContact O-N 3.12Å; E112-L114 PolarHBondContact O-N 3.4Å; E112-K115 WeakPolarHBondContact O-CB 3.23Å; E112-K115 PolarHBondContact O-N 3.25Å; E112-K115 IonicContact OE1-NZ 3.68Å; E112-K115 PolarHBondContact OE1-NZ 2.88Å
113	N	88.6	Confident	84.8	Confident	106 Å²	106	66.4 Å²	66.4	57%	0.567	37%	0.366	S	S	*	.	H	α-helix	trans	-63.9	-24.9	178.3	-70.1	-30.2	0	0	0	113.1	E109 D110 R134	E109-N113 VanDerWaalsContact O-CG 3.28Å; E109-N113 PolarHBondContact O-N 3.02Å; E109-N113 PolarHBondContact O-ND2 3.47Å; E109-N113 VanDerWaalsContact O-ND2 3.14Å; D110-N113 PolarHBondContact O-N 3.41Å; N113-R134 PolarHBondContact O-NH1 3.41Å
114	L	89.2	Confident	85.9	Confident	2 Å²	2	65.6 Å²	65.6	1%	0.01	36%	0.358	C	S	.	.	H	α-helix	trans	-94.1	-11.9	179.5	-70.9	163.8	0	0	0	113.5	L106 D110 E111 E112 P116 V117 M118 I131 T135	L106-L114 HydrophobicContact CD1-CD1 3.65Å; L106-L114 HydrophobicContact CD2-CD1 4.08Å; L106-L114 HydrophobicContact CG-CD1 4.49Å; D110-L114 HydrophobicContact CB-CD1 4.42Å; D110-L114 VanDerWaalsContact O-CB 3.29Å; D110-L114 WeakPolarHBondContact O-CB 3.11Å; D110-L114 VanDerWaalsContact O-CD1 3.32Å; D110-L114 WeakPolarHBondContact O-CD1 3.35Å; D110-L114 VanDerWaalsContact O-CG 3.22Å; D110-L114 WeakPolarHBondContact O-CG 3.25Å; D110-L114 PolarHBondContact O-N 3.25Å; E111-L114 PolarHBondContact O-N 3.32Å; E112-L114 PolarHBondContact O-N 3.4Å; L114-P116 VanDerWaalsContact C-CD 3.45Å; L114-P116 VanDerWaalsContact C-N 3.34Å; L114-V117 PolarHBondContact O-N 3.33Å; L114-V117 VanDerWaalsContact O-N 3.09Å; L114-M118 HydrophobicContact CB-CE 4.19Å; L114-M118 WeakPolarHBondContact O-CG 3.5Å; L114-M118 PolarHBondContact O-N 3.12Å; L114-I131 HydrophobicContact CD1-CG1 3.77Å; L114-I131 HydrophobicContact CD2-CG1 4.03Å; L114-I131 HydrophobicContact CG-CG1 4.48Å; L114-T135 HydrophobicContact CD1-CG2 4.11Å
115	K	88.8	Confident	86.6	Confident	78 Å²	78	69.6 Å²	69.6	34%	0.339	38%	0.381	S	S	.	.	H	α-helix	trans	-49.3	-47	177.3	-75.6	172.4	-173.9	168	0	112.8	E111 E112 V117 M118 L119 L151	E111-K115 WeakPolarHBondContact O-CG 3.41Å; E111-K115 PolarHBondContact O-N 2.85Å; E111-K115 VanDerWaalsContact O-N 3.14Å; E112-K115 WeakPolarHBondContact O-CB 3.23Å; E112-K115 PolarHBondContact O-N 3.25Å; E112-K115 IonicContact OE1-NZ 3.68Å; E112-K115 PolarHBondContact OE1-NZ 2.88Å; K115-V117 PolarHBondContact O-N 2.77Å; K115-M118 PolarHBondContact O-N 3.2Å; K115-L119 WeakPolarHBondContact O-CG 3.31Å; K115-L119 PolarHBondContact O-N 3.45Å; K115-L151 HydrophobicContact CD-CD2 4.38Å; K115-L151 HydrophobicContact CG-CD1 4.43Å; K115-L151 HydrophobicContact CG-CD2 3.92Å
116	P	89.2	Confident	87.1	Confident	82 Å²	82	69 Å²	69	53%	0.532	38%	0.383	S	S	.	.	H	α-helix	trans	-60.4	-45.1	179.6	-23	34.5	0	0	0	112.1	L114 M118 L119 S120	L114-P116 VanDerWaalsContact C-CD 3.45Å; L114-P116 VanDerWaalsContact C-N 3.34Å; P116-M118 PolarHBondContact O-N 3.42Å; P116-L119 PolarHBondContact O-N 3.09Å; P116-S120 VanDerWaalsContact O-CB 3.32Å; P116-S120 WeakPolarHBondContact O-CB 3.05Å; P116-S120 PolarHBondContact O-N 3.44Å; P116-S120 PolarHBondContact O-OG 2.82Å
117	V	90.1	Very high	87.6	Confident	18 Å²	18	68.3 Å²	68.3	11%	0.109	38%	0.38	C	S	.	.	H	α-helix	trans	-64.7	-41	-179.8	-179.2	0	0	0	0	111.2	L114 K115 L119 S121 V127	L114-V117 PolarHBondContact O-N 3.33Å; L114-V117 VanDerWaalsContact O-N 3.09Å; K115-V117 PolarHBondContact O-N 2.77Å; V117-L119 VanDerWaalsContact C-N 3.3Å; V117-L119 PolarHBondContact O-N 2.77Å; V117-S121 VanDerWaalsContact O-CB 3.27Å; V117-S121 WeakPolarHBondContact O-CB 3.14Å; V117-S121 PolarHBondContact O-N 3.21Å; V117-S121 VanDerWaalsContact O-N 3.14Å; V117-S121 PolarHBondContact O-OG 2.82Å; V117-V127 HydrophobicContact CG1-CG2 4.39Å
118	M	86.9	Confident	88	Confident	9 Å²	9	67.8 Å²	67.8	4%	0.044	37%	0.374	C	S	.	.	H	α-helix	trans	-65	-34	177.9	-70.8	-175.4	178.1	0	0	112.6	L106 L114 K115 P116 V127 I131 K147 K148 L151	L106-M118 HydrophobicContact CD1-CE 4.02Å; L114-M118 HydrophobicContact CB-CE 4.19Å; L114-M118 WeakPolarHBondContact O-CG 3.5Å; L114-M118 PolarHBondContact O-N 3.12Å; K115-M118 PolarHBondContact O-N 3.2Å; P116-M118 PolarHBondContact O-N 3.42Å; M118-V127 HydrophobicContact CG-CG1 4.06Å; M118-I131 HydrophobicContact CE-CD1 3.97Å; M118-K147 HydrophobicContact CE-CB 4.25Å; M118-K147 HydrophobicContact CE-CG 4.46Å; M118-K147 HydrophobicContact SD-CB 3.98Å; M118-K148 HydrophobicContact CB-CG 4.49Å; M118-K148 WeakPolarHBondContact O-CD 3.42Å; M118-K148 WeakPolarHBondContact O-CE 3.45Å; M118-L151 HydrophobicContact CB-CD1 3.69Å; M118-L151 HydrophobicContact CG-CD1 4.38Å; M118-L151 HydrophobicContact SD-CD1 3.81Å
119	L	86.6	Confident	88.5	Confident	110 Å²	110	69.5 Å²	69.5	58%	0.576	37%	0.373	S	S	*	.	H	α-helix	trans	-84.3	-35.4	179.8	-70.5	173	0	0	0	113.2	K115 P116 V117 L151	K115-L119 WeakPolarHBondContact O-CG 3.31Å; K115-L119 PolarHBondContact O-N 3.45Å; P116-L119 PolarHBondContact O-N 3.09Å; V117-L119 VanDerWaalsContact C-N 3.3Å; V117-L119 PolarHBondContact O-N 2.77Å; L119-L151 HydrophobicContact CD2-CB 4.05Å; L119-L151 HydrophobicContact CG-CD1 4.45Å
120	S	86.3	Confident	88.7	Confident	92 Å²	92	63.3 Å²	63.3	64%	0.643	35%	0.347	S	S	*	.	H	α-helix	trans	-85.1	-32.5	-174.4	67.7	0	0	0	0	113.9	P116	P116-S120 VanDerWaalsContact O-CB 3.32Å; P116-S120 WeakPolarHBondContact O-CB 3.05Å; P116-S120 PolarHBondContact O-N 3.44Å; P116-S120 PolarHBondContact O-OG 2.82Å
121	S	83.7	Confident	88.9	Confident	20 Å²	20	61.4 Å²	61.4	14%	0.14	34%	0.337	C	S	.	.			trans	-85.3	124.6	-168.7	-44.7	0	0	0	0	110.5	V117 K148	V117-S121 VanDerWaalsContact O-CB 3.27Å; V117-S121 WeakPolarHBondContact O-CB 3.14Å; V117-S121 PolarHBondContact O-N 3.21Å; V117-S121 VanDerWaalsContact O-N 3.14Å; V117-S121 PolarHBondContact O-OG 2.82Å; S121-K148 PolarHBondContact O-NZ 3.02Å
122	P	80.8	Confident	89.1	Confident	120 Å²	120	64.7 Å²	64.7	78%	0.779	35%	0.35	S	S	*	.	S	Bend	trans	-73.9	-34.4	175.7	29.1	-32.6	0	0	0	111.4
123	S	90.1	Very high	89.3	Confident	38 Å²	38	65.7 Å²	65.7	27%	0.266	36%	0.359	S	S	.	.			trans	-74.8	142	-179.4	-175.6	0	0	0	0	111.6	D125 E126 V127 K148	S123-D125 PolarHBondContact OG-N 2.86Å; S123-E126 VanDerWaalsContact CB-CD 3.44Å; S123-E126 WeakPolarHBondContact CB-OE2 3.49Å; S123-V127 WeakPolarHBondContact O-CG2 3.36Å; S123-K148 PolarHBondContact O-NZ 3.06Å
124	T	90.4	Very high	89.5	Confident	34 Å²	34	67.4 Å²	67.4	21%	0.209	36%	0.358	C	S	.	.	H	α-helix	trans	-77.9	-34.5	170	-60.2	0	0	0	0	110.6	V127 I128 V144	T124-V127 PolarHBondContact O-N 2.8Å; T124-I128 HydrophobicContact CG2-CD1 4.07Å; T124-I128 HydrophobicContact CG2-CG1 4.46Å; T124-I128 WeakPolarHBondContact O-CG1 2.82Å; T124-I128 PolarHBondContact O-N 3.28Å; T124-V144 HydrophobicContact CG2-CB 4.01Å; T124-V144 HydrophobicContact CG2-CG1 3.99Å
125	D	91.7	Very high	89.4	Confident	108 Å²	108	68.8 Å²	68.8	58%	0.578	37%	0.366	S	S	*	.	H	α-helix	trans	-69.9	-39.8	-175.9	-61	-37.5	0	0	0	111.4	S123 V127 I128 E129	S123-D125 PolarHBondContact OG-N 2.86Å; D125-V127 VanDerWaalsContact C-N 3.27Å; D125-V127 PolarHBondContact O-N 3.1Å; D125-I128 WeakPolarHBondContact O-CB 3.24Å; D125-I128 PolarHBondContact O-N 3.03Å; D125-I128 VanDerWaalsContact O-N 3.11Å; D125-E129 PolarHBondContact O-N 3.49Å
126	E	91.5	Very high	89.3	Confident	101 Å²	101	68 Å²	68	47%	0.472	38%	0.38	S	S	.	.	H	α-helix	trans	-58.9	-38.6	173.6	-69.2	170.7	175.2	0	0	112.1	S123 E129 S130	S123-E126 VanDerWaalsContact CB-CD 3.44Å; S123-E126 WeakPolarHBondContact CB-OE2 3.49Å; E126-E129 PolarHBondContact O-N 2.88Å; E126-S130 WeakPolarHBondContact O-CB 3.35Å; E126-S130 PolarHBondContact O-N 2.6Å
127	V	92.3	Very high	89.1	Confident	0 Å²	0	67 Å²	67	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-69.4	-40.7	177.1	178.6	0	0	0	0	110.5	V117 M118 S123 T124 D125 S130 I131 V144	V117-V127 HydrophobicContact CG1-CG2 4.39Å; M118-V127 HydrophobicContact CG-CG1 4.06Å; S123-V127 WeakPolarHBondContact O-CG2 3.36Å; T124-V127 PolarHBondContact O-N 2.8Å; D125-V127 VanDerWaalsContact C-N 3.27Å; D125-V127 PolarHBondContact O-N 3.1Å; V127-S130 PolarHBondContact O-N 3.44Å; V127-I131 HydrophobicContact CG1-CD1 3.79Å; V127-I131 HydrophobicContact CG1-CG1 4.41Å; V127-I131 WeakPolarHBondContact O-CB 3.39Å; V127-I131 WeakPolarHBondContact O-CD1 3.11Å; V127-I131 WeakPolarHBondContact O-CG1 3.36Å; V127-I131 PolarHBondContact O-N 3.38Å; V127-V144 HydrophobicContact CB-CG1 4Å; V127-V144 HydrophobicContact CG1-CG1 3.72Å; V127-V144 HydrophobicContact CG1-CG2 4.1Å
128	I	92	Very high	88.8	Confident	39 Å²	39	71.3 Å²	71.3	20%	0.2	39%	0.386	C	S	.	.	H	α-helix	trans	-61.9	-45.5	176.1	-66.1	171.1	0	0	0	110.3	T124 D125 I131 K132 V139 V144	T124-I128 HydrophobicContact CG2-CD1 4.07Å; T124-I128 HydrophobicContact CG2-CG1 4.46Å; T124-I128 WeakPolarHBondContact O-CG1 2.82Å; T124-I128 PolarHBondContact O-N 3.28Å; D125-I128 WeakPolarHBondContact O-CB 3.24Å; D125-I128 PolarHBondContact O-N 3.03Å; D125-I128 VanDerWaalsContact O-N 3.11Å; I128-I131 PolarHBondContact O-N 2.71Å; I128-K132 WeakPolarHBondContact O-CB 3.02Å; I128-K132 PolarHBondContact O-N 3.48Å; I128-V139 HydrophobicContact CB-CG2 4.39Å; I128-V139 HydrophobicContact CG1-CG2 4.1Å; I128-V139 HydrophobicContact CG2-CG2 4.26Å; I128-V144 HydrophobicContact CG1-CG2 3.8Å
129	E	92.6	Very high	88.7	Confident	136 Å²	136	71.6 Å²	71.6	64%	0.636	39%	0.389	S	S	*	.	H	α-helix	trans	-63.8	-44.7	177.6	-72.9	-170.8	147.6	0	0	111.7	D125 E126 I131 K132 D133	D125-E129 PolarHBondContact O-N 3.49Å; E126-E129 PolarHBondContact O-N 2.88Å; E129-I131 VanDerWaalsContact C-N 3.31Å; E129-I131 PolarHBondContact O-N 3.39Å; E129-K132 PolarHBondContact O-N 3.16Å; E129-D133 WeakPolarHBondContact O-CB 3.33Å; E129-D133 PolarHBondContact O-N 3.29Å
130	S	91.9	Very high	88.7	Confident	21 Å²	21	68.3 Å²	68.3	15%	0.147	37%	0.373	C	S	.	.	H	α-helix	trans	-63.1	-36.6	176.6	179.8	0	0	0	0	112.6	E126 V127 R134	E126-S130 WeakPolarHBondContact O-CB 3.35Å; E126-S130 PolarHBondContact O-N 2.6Å; V127-S130 PolarHBondContact O-N 3.44Å; S130-R134 WeakPolarHBondContact O-CB 3.49Å; S130-R134 VanDerWaalsContact O-CG 3.31Å; S130-R134 WeakPolarHBondContact O-CG 3.25Å; S130-R134 PolarHBondContact O-N 3.47Å; S130-R134 VanDerWaalsContact O-N 3.09Å; S130-R134 PolarHBondContact OG-NE 2.81Å
131	I	91.4	Very high	88.7	Confident	1 Å²	1	66.8 Å²	66.8	1%	0.005	36%	0.362	C	S	.	.	H	α-helix	trans	-65.1	-46.8	174.8	-71.1	165.4	0	0	0	109.7	L106 L114 M118 V127 I128 E129 D133 T135 K137 V139 V144	L106-I131 HydrophobicContact CD1-CD1 4.39Å; L106-I131 HydrophobicContact CD1-CG2 4.45Å; L106-I131 HydrophobicContact CD2-CG2 3.92Å; L114-I131 HydrophobicContact CD1-CG1 3.77Å; L114-I131 HydrophobicContact CD2-CG1 4.03Å; L114-I131 HydrophobicContact CG-CG1 4.48Å; M118-I131 HydrophobicContact CE-CD1 3.97Å; V127-I131 HydrophobicContact CG1-CD1 3.79Å; V127-I131 HydrophobicContact CG1-CG1 4.41Å; V127-I131 WeakPolarHBondContact O-CB 3.39Å; V127-I131 WeakPolarHBondContact O-CD1 3.11Å; V127-I131 WeakPolarHBondContact O-CG1 3.36Å; V127-I131 PolarHBondContact O-N 3.38Å; I128-I131 PolarHBondContact O-N 2.71Å; E129-I131 VanDerWaalsContact C-N 3.31Å; E129-I131 PolarHBondContact O-N 3.39Å; I131-D133 PolarHBondContact O-N 3.35Å; I131-T135 WeakPolarHBondContact O-CB 3.36Å; I131-T135 PolarHBondContact O-N 3.26Å; I131-T135 PolarHBondContact O-OG1 3.02Å; I131-K137 HydrophobicContact CG2-CB 4.46Å; I131-V139 HydrophobicContact CB-CG2 4.11Å; I131-V139 HydrophobicContact CD1-CG1 4.49Å; I131-V139 HydrophobicContact CD1-CG2 3.63Å; I131-V139 HydrophobicContact CG1-CG2 4.47Å; I131-V139 HydrophobicContact CG2-CG1 3.92Å; I131-V139 HydrophobicContact CG2-CG2 3.94Å; I131-V144 HydrophobicContact CD1-CG2 4.21Å
132	K	91.1	Very high	88.8	Confident	124 Å²	124	67.2 Å²	67.2	54%	0.539	37%	0.367	S	S	.	.	H	α-helix	trans	-61.7	-44.5	179.6	-175.9	-174.4	172.9	-168.5	0	111.6	I128 E129 G136 K137	I128-K132 WeakPolarHBondContact O-CB 3.02Å; I128-K132 PolarHBondContact O-N 3.48Å; E129-K132 PolarHBondContact O-N 3.16Å; K132-G136 WeakPolarHBondContact O-CA 3.48Å; K132-G136 PolarHBondContact O-N 3.36Å; K132-K137 WeakPolarHBondContact CA-O 3.13Å
133	D	91.3	Very high	89	Confident	140 Å²	140	63.3 Å²	63.3	75%	0.749	34%	0.34	S	S	*	.	H	α-helix	trans	-64.6	-46	-179.2	-175.9	64.3	0	0	0	112	E129 I131	E129-D133 WeakPolarHBondContact O-CB 3.33Å; E129-D133 PolarHBondContact O-N 3.29Å; I131-D133 PolarHBondContact O-N 3.35Å
134	R	91.2	Very high	88.9	Confident	142 Å²	142	61.6 Å²	61.6	54%	0.536	33%	0.328	S	S	.	.	H	α-helix	trans	-79.8	-30.6	-176	-65.8	179.6	-176	-168.1	2.5	114.5	N113 S130	N113-R134 PolarHBondContact O-NH1 3.41Å; S130-R134 WeakPolarHBondContact O-CB 3.49Å; S130-R134 VanDerWaalsContact O-CG 3.31Å; S130-R134 WeakPolarHBondContact O-CG 3.25Å; S130-R134 PolarHBondContact O-N 3.47Å; S130-R134 VanDerWaalsContact O-N 3.09Å; S130-R134 PolarHBondContact OG-NE 2.81Å
135	T	87.8	Confident	88.8	Confident	32 Å²	32	66.4 Å²	66.4	20%	0.196	35%	0.346	C	S	.	.	H	α-helix	trans	-122.2	-11.4	-168.9	73.5	0	0	0	0	113.9	L106 D110 L114 I131 K137	L106-T135 HydrophobicContact CD2-CG2 3.99Å; D110-T135 HydrophobicContact CB-CG2 3.91Å; D110-T135 WeakPolarHBondContact OD2-CG2 3.29Å; L114-T135 HydrophobicContact CD1-CG2 4.11Å; I131-T135 WeakPolarHBondContact O-CB 3.36Å; I131-T135 PolarHBondContact O-N 3.26Å; I131-T135 PolarHBondContact O-OG1 3.02Å; T135-K137 PolarHBondContact O-N 3.09Å; T135-K137 VanDerWaalsContact O-N 3.12Å; T135-K137 WeakPolarHBondContact OG1-CB 3.12Å; T135-K137 PolarHBondContact OG1-N 3.43Å; T135-K137 VanDerWaalsContact OG1-N 3.14Å
136	G	86.5	Confident	88.5	Confident	61 Å²	61	65 Å²	65	63%	0.629	34%	0.338	S	S	*	.			trans	68.2	-1.2	-169.9	0	0	0	0	0	114.3	K132	K132-G136 WeakPolarHBondContact O-CA 3.48Å; K132-G136 PolarHBondContact O-N 3.36Å
137	K	84.6	Confident	88.2	Confident	60 Å²	60	62.7 Å²	62.7	26%	0.261	33%	0.326	S	S	.	.			trans	-82.3	139.4	-177.2	-60.6	-155.3	-173.9	-159.1	0	111.7	R105 L106 I131 K132 T135	R105-K137 PolarHBondContact O-NZ 3.34Å; L106-K137 HydrophobicContact CD2-CB 4.43Å; L106-K137 HydrophobicContact CD2-CD 4.02Å; L106-K137 HydrophobicContact CD2-CG 4.46Å; I131-K137 HydrophobicContact CG2-CB 4.46Å; K132-K137 WeakPolarHBondContact CA-O 3.13Å; T135-K137 PolarHBondContact O-N 3.09Å; T135-K137 VanDerWaalsContact O-N 3.12Å; T135-K137 WeakPolarHBondContact OG1-CB 3.12Å; T135-K137 PolarHBondContact OG1-N 3.43Å; T135-K137 VanDerWaalsContact OG1-N 3.14Å
138	Q	83.9	Confident	87.9	Confident	109 Å²	109	64.6 Å²	64.6	51%	0.509	33%	0.334	S	S	.	.			trans	-92.5	122.2	169.1	-63.2	-169.9	18.5	0	0	109.5	V98 R104	V98-Q138 HydrophobicContact CG1-CB 3.69Å; V98-Q138 HydrophobicContact CG1-CG 4.03Å; R104-Q138 WeakPolarHBondContact CD-O 3.45Å; R104-Q138 WeakPolarHBondContact CG-O 3.26Å
139	V	85.5	Confident	87.5	Confident	16 Å²	16	64.9 Å²	64.9	10%	0.097	34%	0.343	C	S	.	.			trans	-115.8	157.6	174	-66.3	0	0	0	0	110	I128 I131 D143 V144	I128-V139 HydrophobicContact CB-CG2 4.39Å; I128-V139 HydrophobicContact CG1-CG2 4.1Å; I128-V139 HydrophobicContact CG2-CG2 4.26Å; I131-V139 HydrophobicContact CB-CG2 4.11Å; I131-V139 HydrophobicContact CD1-CG1 4.49Å; I131-V139 HydrophobicContact CD1-CG2 3.63Å; I131-V139 HydrophobicContact CG1-CG2 4.47Å; I131-V139 HydrophobicContact CG2-CG1 3.92Å; I131-V139 HydrophobicContact CG2-CG2 3.94Å; V139-D143 HydrophobicContact CB-CB 4.41Å; V139-V144 HydrophobicContact CG2-CG2 4.04Å
140	T	85.3	Confident	87.1	Confident	40 Å²	40	62.9 Å²	62.9	25%	0.245	33%	0.333	C	S	.	.			trans	-96.5	159.8	174.6	69.3	0	0	0	0	110.9	A142 D143 V144	T140-A142 PolarHBondContact O-N 3.43Å; T140-D143 WeakPolarHBondContact CA-OD2 3.21Å; T140-D143 WeakPolarHBondContact CB-OD2 3.46Å; T140-D143 PolarHBondContact N-OD2 3.43Å; T140-D143 WeakPolarHBondContact O-CB 3.49Å; T140-D143 PolarHBondContact O-N 3.21Å; T140-D143 PolarHBondContact OG1-N 2.83Å; T140-D143 PolarHBondContact OG1-OD2 2.82Å; T140-V144 PolarHBondContact O-N 3.14Å; T140-V144 VanDerWaalsContact O-N 3.15Å
141	S	86.8	Confident	86.6	Confident	60 Å²	60	64.4 Å²	64.4	42%	0.42	34%	0.34	S	S	.	.	H	α-helix	trans	-56.5	-31.3	173.2	58.4	0	0	0	0	113	K145	S141-K145 WeakPolarHBondContact O-CB 3.37Å; S141-K145 VanDerWaalsContact O-CG 3.28Å; S141-K145 WeakPolarHBondContact O-CG 3.29Å; S141-K145 PolarHBondContact O-N 2.87Å
142	A	85.4	Confident	85.9	Confident	29 Å²	29	68.9 Å²	68.9	24%	0.24	37%	0.371	C	S	.	.	H	α-helix	trans	-67.2	-42.4	174.2	0	0	0	0	0	112.2	L54 T140 V144 K145 I146	L54-A142 HydrophobicContact CD2-CB 4.42Å; T140-A142 PolarHBondContact O-N 3.43Å; A142-V144 VanDerWaalsContact C-N 3.31Å; A142-V144 PolarHBondContact O-N 2.92Å; A142-K145 PolarHBondContact O-N 3.24Å; A142-I146 VanDerWaalsContact O-CG1 3.31Å; A142-I146 WeakPolarHBondContact O-CG1 3.29Å; A142-I146 PolarHBondContact O-N 3.27Å
143	D	86	Confident	84.8	Confident	39 Å²	39	68.7 Å²	68.7	21%	0.209	37%	0.374	C	S	.	.	H	α-helix	trans	-61.9	-42.7	177.8	-52.9	-54.3	0	0	0	110.3	R104 V139 T140 I146 K147	R104-D143 WeakPolarHBondContact CD-OD2 3.26Å; R104-D143 IonicContact CZ-OD1 3.55Å; R104-D143 IonicContact CZ-OD2 2.75Å; R104-D143 IonicContact NE-OD1 2.82Å; R104-D143 IonicContact NE-OD2 3.29Å; R104-D143 PolarHBondContact NE-OD2 2.83Å; R104-D143 IonicContact NH2-OD1 3.51Å; R104-D143 PolarHBondContact NH2-OD1 3.42Å; R104-D143 IonicContact NH2-OD2 3.88Å; V139-D143 HydrophobicContact CB-CB 4.41Å; T140-D143 WeakPolarHBondContact CA-OD2 3.21Å; T140-D143 WeakPolarHBondContact CB-OD2 3.46Å; T140-D143 PolarHBondContact N-OD2 3.43Å; T140-D143 WeakPolarHBondContact O-CB 3.49Å; T140-D143 PolarHBondContact O-N 3.21Å; T140-D143 PolarHBondContact OG1-N 2.83Å; T140-D143 PolarHBondContact OG1-OD2 2.82Å; D143-I146 PolarHBondContact O-N 2.92Å; D143-K147 WeakPolarHBondContact O-CB 2.88Å; D143-K147 PolarHBondContact O-N 2.85Å
144	V	88.4	Confident	83	Confident	2 Å²	2	65 Å²	65	1%	0.012	37%	0.369	C	S	.	.	H	α-helix	trans	-63.6	-45.3	176.2	175.9	0	0	0	0	111.6	T124 V127 I128 I131 V139 T140 A142 I146 K147 K148	T124-V144 HydrophobicContact CG2-CB 4.01Å; T124-V144 HydrophobicContact CG2-CG1 3.99Å; V127-V144 HydrophobicContact CB-CG1 4Å; V127-V144 HydrophobicContact CG1-CG1 3.72Å; V127-V144 HydrophobicContact CG1-CG2 4.1Å; I128-V144 HydrophobicContact CG1-CG2 3.8Å; I131-V144 HydrophobicContact CD1-CG2 4.21Å; V139-V144 HydrophobicContact CG2-CG2 4.04Å; T140-V144 PolarHBondContact O-N 3.14Å; T140-V144 VanDerWaalsContact O-N 3.15Å; A142-V144 VanDerWaalsContact C-N 3.31Å; A142-V144 PolarHBondContact O-N 2.92Å; V144-I146 PolarHBondContact O-N 2.88Å; V144-K147 PolarHBondContact O-N 2.77Å; V144-K148 HydrophobicContact CG1-CD 4.38Å; V144-K148 HydrophobicContact CG1-CG 4.29Å; V144-K148 WeakPolarHBondContact O-CG 3.38Å; V144-K148 PolarHBondContact O-N 3.12Å
145	K	87.5	Confident	80.7	Confident	135 Å²	135	65 Å²	65	59%	0.587	37%	0.374	S	S	*	.	H	α-helix	trans	-60.1	-45.1	177.4	-76.5	175.9	-178.6	-175	0	112	S141 A142 K147 A149	S141-K145 WeakPolarHBondContact O-CB 3.37Å; S141-K145 VanDerWaalsContact O-CG 3.28Å; S141-K145 WeakPolarHBondContact O-CG 3.29Å; S141-K145 PolarHBondContact O-N 2.87Å; A142-K145 PolarHBondContact O-N 3.24Å; K145-K147 VanDerWaalsContact C-N 3.34Å; K145-A149 WeakPolarHBondContact O-CB 3.04Å; K145-A149 PolarHBondContact O-N 2.8Å
146	I	85	Confident	78.4	Confident	79 Å²	79	70.7 Å²	70.7	41%	0.405	40%	0.401	S	S	.	.	H	α-helix	trans	-61.4	-45.3	176.3	-69	166.5	0	0	0	110	A142 D143 V144 A149 Q150	A142-I146 VanDerWaalsContact O-CG1 3.31Å; A142-I146 WeakPolarHBondContact O-CG1 3.29Å; A142-I146 PolarHBondContact O-N 3.27Å; D143-I146 PolarHBondContact O-N 2.92Å; V144-I146 PolarHBondContact O-N 2.88Å; I146-A149 PolarHBondContact O-N 2.81Å; I146-Q150 HydrophobicContact CG2-CG 4.49Å; I146-Q150 WeakPolarHBondContact O-CG 3.3Å; I146-Q150 PolarHBondContact O-N 2.94Å
147	K	84.6	Confident	76.1	Confident	52 Å²	52	70.7 Å²	70.7	23%	0.226	40%	0.401	C	S	.	.	H	α-helix	trans	-65.1	-44.6	179.3	-83.2	-72.2	178.9	-173	0	113.2	E111 M118 D143 V144 K145 A149 Q150 L151	E111-K147 WeakPolarHBondContact OE1-CE 3.16Å; E111-K147 IonicContact OE1-NZ 3.78Å; E111-K147 PolarHBondContact OE1-NZ 3.05Å; E111-K147 IonicContact OE2-NZ 2.83Å; E111-K147 PolarHBondContact OE2-NZ 3.21Å; M118-K147 HydrophobicContact CE-CB 4.25Å; M118-K147 HydrophobicContact CE-CG 4.46Å; M118-K147 HydrophobicContact SD-CB 3.98Å; D143-K147 WeakPolarHBondContact O-CB 2.88Å; D143-K147 PolarHBondContact O-N 2.85Å; V144-K147 PolarHBondContact O-N 2.77Å; K145-K147 VanDerWaalsContact C-N 3.34Å; K147-A149 VanDerWaalsContact C-N 3.31Å; K147-A149 PolarHBondContact O-N 2.83Å; K147-Q150 WeakPolarHBondContact O-CB 3.47Å; K147-Q150 PolarHBondContact O-N 2.74Å; K147-L151 WeakPolarHBondContact O-CG 3.29Å; K147-L151 PolarHBondContact O-N 2.74Å
148	K	86.7	Confident	73.6	Confident	39 Å²	39	72.7 Å²	72.7	17%	0.17	42%	0.418	C	S	.	.	H	α-helix	trans	-57.7	-46	173.6	-73	-166	-176.4	-172.9	0	110.7	M118 S121 S123 V144 Q150 L151 S152	M118-K148 HydrophobicContact CB-CG 4.49Å; M118-K148 WeakPolarHBondContact O-CD 3.42Å; M118-K148 WeakPolarHBondContact O-CE 3.45Å; S121-K148 PolarHBondContact O-NZ 3.02Å; S123-K148 PolarHBondContact O-NZ 3.06Å; V144-K148 HydrophobicContact CG1-CD 4.38Å; V144-K148 HydrophobicContact CG1-CG 4.29Å; V144-K148 WeakPolarHBondContact O-CG 3.38Å; V144-K148 PolarHBondContact O-N 3.12Å; K148-Q150 PolarHBondContact O-N 2.92Å; K148-L151 PolarHBondContact O-N 3.41Å; K148-S152 PolarHBondContact O-N 3.42Å; K148-S152 PolarHBondContact O-OG 2.75Å; K148-S152 VanDerWaalsContact O-OG 3.05Å
149	A	84.4	Confident	71	Confident	46 Å²	46	77 Å²	77	38%	0.38	44%	0.436	S	S	.	.	H	α-helix	trans	-60.6	-41.3	176.6	0	0	0	0	0	112.9	K145 I146 K147 L151 S152 I153	K145-A149 WeakPolarHBondContact O-CB 3.04Å; K145-A149 PolarHBondContact O-N 2.8Å; I146-A149 PolarHBondContact O-N 2.81Å; K147-A149 VanDerWaalsContact C-N 3.31Å; K147-A149 PolarHBondContact O-N 2.83Å; A149-L151 VanDerWaalsContact C-N 3.33Å; A149-L151 PolarHBondContact O-N 2.89Å; A149-S152 PolarHBondContact O-N 3.38Å; A149-I153 WeakPolarHBondContact O-CB 3.43Å; A149-I153 WeakPolarHBondContact O-CD1 3.48Å; A149-I153 VanDerWaalsContact O-CG1 3.27Å; A149-I153 WeakPolarHBondContact O-CG1 3.11Å; A149-I153 PolarHBondContact O-N 2.85Å; A149-I153 VanDerWaalsContact O-N 3.09Å
150	Q	83.2	Confident	68.3	Low	93 Å²	93	84.9 Å²	84.9	44%	0.435	47%	0.468	S	S	.	.	H	α-helix	trans	-60.6	-41.1	175.4	-74.8	175.1	-10.1	0	0	112.2	I146 K147 K148	I146-Q150 HydrophobicContact CG2-CG 4.49Å; I146-Q150 WeakPolarHBondContact O-CG 3.3Å; I146-Q150 PolarHBondContact O-N 2.94Å; K147-Q150 WeakPolarHBondContact O-CB 3.47Å; K147-Q150 PolarHBondContact O-N 2.74Å; K148-Q150 PolarHBondContact O-N 2.92Å
151	L	82.5	Confident	65.6	Low	54 Å²	54	89 Å²	89	28%	0.283	49%	0.489	S	S	.	.	H	α-helix	trans	-70.5	-40	177.6	-67	172.6	0	0	0	112.3	K115 M118 L119 K147 K148 A149	K115-L151 HydrophobicContact CD-CD2 4.38Å; K115-L151 HydrophobicContact CG-CD1 4.43Å; K115-L151 HydrophobicContact CG-CD2 3.92Å; M118-L151 HydrophobicContact CB-CD1 3.69Å; M118-L151 HydrophobicContact CG-CD1 4.38Å; M118-L151 HydrophobicContact SD-CD1 3.81Å; L119-L151 HydrophobicContact CD2-CB 4.05Å; L119-L151 HydrophobicContact CG-CD1 4.45Å; K147-L151 WeakPolarHBondContact O-CG 3.29Å; K147-L151 PolarHBondContact O-N 2.74Å; K148-L151 PolarHBondContact O-N 3.41Å; A149-L151 VanDerWaalsContact C-N 3.33Å; A149-L151 PolarHBondContact O-N 2.89Å
152	S	76.2	Confident	62.6	Low	95 Å²	95	89.8 Å²	89.8	66%	0.664	50%	0.499	S	S	*	.	H	α-helix	trans	-70.8	-33	-178.6	-58.1	0	0	0	0	113.8	K148 A149 G154	K148-S152 PolarHBondContact O-N 3.42Å; K148-S152 PolarHBondContact O-OG 2.75Å; K148-S152 VanDerWaalsContact O-OG 3.05Å; A149-S152 PolarHBondContact O-N 3.38Å; S152-G154 VanDerWaalsContact C-N 3.28Å; S152-G154 PolarHBondContact O-N 2.92Å
153	I	68.5	Low	59.8	Low	119 Å²	119	93.3 Å²	93.3	61%	0.61	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-4.2	-176.5	-60	167.3	0	0	0	111.2	A149 F155	A149-I153 WeakPolarHBondContact O-CB 3.43Å; A149-I153 WeakPolarHBondContact O-CD1 3.48Å; A149-I153 VanDerWaalsContact O-CG1 3.27Å; A149-I153 WeakPolarHBondContact O-CG1 3.11Å; A149-I153 PolarHBondContact O-N 2.85Å; A149-I153 VanDerWaalsContact O-N 3.09Å; I153-F155 HydrophobicContact CB-CB 4.42Å; I153-F155 HydrophobicContact CG2-CB 4.11Å; I153-F155 HydrophobicContact CG2-CD2 3.91Å; I153-F155 HydrophobicContact CG2-CG 4.43Å; I153-F155 PolarHBondContact O-N 2.89Å; I153-F155 VanDerWaalsContact O-N 3.08Å
154	G	53	Low	57	Low	62 Å²	62	95.9 Å²	95.9	64%	0.639	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	19	-175.4	0	0	0	0	0	113	S152 I156	S152-G154 VanDerWaalsContact C-N 3.28Å; S152-G154 PolarHBondContact O-N 2.92Å; G154-I156 PolarHBondContact O-N 3.15Å; G154-I156 VanDerWaalsContact O-N 3.16Å
155	F	42.3	Very low	54.3	Low	143 Å²	143	98.6 Å²	98.6	63%	0.627	54%	0.543	S	S	*	.			trans	-79.2	108.4	-170.1	-139.4	-97.7	0	0	0	109.4	I153 G157	I153-F155 HydrophobicContact CB-CB 4.42Å; I153-F155 HydrophobicContact CG2-CB 4.11Å; I153-F155 HydrophobicContact CG2-CD2 3.91Å; I153-F155 HydrophobicContact CG2-CG 4.43Å; I153-F155 PolarHBondContact O-N 2.89Å; I153-F155 VanDerWaalsContact O-N 3.08Å; F155-G157 VanDerWaalsContact C-N 3.3Å; F155-G157 PolarHBondContact O-N 3.38Å
156	I	39.8	Very low	51.4	Low	152 Å²	152	96 Å²	96	78%	0.779	56%	0.555	S	S	*	*			trans	-59.5	98.6	162.4	-61.8	170.9	0	0	0	105.8	G154 T158	G154-I156 PolarHBondContact O-N 3.15Å; G154-I156 VanDerWaalsContact O-N 3.16Å; I156-T158 PolarHBondContact O-N 2.83Å
157	G	37.8	Very low	48.6	Very low	60 Å²	60	94.9 Å²	94.9	62%	0.619	56%	0.563	S	S	*	*			trans	-51.1	108.3	172.4	0	0	0	0	0	108.2	F155 K159	F155-G157 VanDerWaalsContact C-N 3.3Å; F155-G157 PolarHBondContact O-N 3.38Å; G157-K159 PolarHBondContact O-N 3.33Å
158	T	32.5	Very low	46	Very low	103 Å²	103	96.4 Å²	96.4	63%	0.632	57%	0.573	S	S	*	*			trans	-48.5	131.9	179.1	54.1	0	0	0	0	109.3	I156 K160	I156-T158 PolarHBondContact O-N 2.83Å; T158-K160 PolarHBondContact O-N 2.86Å
159	K	29.7	Very low	43.1	Very low	200 Å²	200	105.2 Å²	105.2	87%	0.87	61%	0.605	S	S	*	*	S	Bend	trans	-56.1	81.9	171.4	-71	178	175.8	175	0	109.9	G157	G157-K159 PolarHBondContact O-N 3.33Å
160	K	28.6	Very low	40.5	Very low	181 Å²	181	106.2 Å²	106.2	79%	0.787	60%	0.603	S	S	*	*			trans	-128	1.1	172.9	-82.2	-170	176.9	175	0	115.6	T158	T158-K160 PolarHBondContact O-N 2.86Å
161	D	27.8	Very low	38	Very low	127 Å²	127	115.7 Å²	115.7	68%	0.679	64%	0.635	S	S	*	*	S	Bend	trans	-113.5	32.5	164.5	-70.4	4.7	0	0	0	111.6	R105 F163	R105-D161 IonicContact NH2-OD2 2.86Å; D161-F163 VanDerWaalsContact C-N 3.35Å; D161-F163 PolarHBondContact O-N 2.91Å
162	A	25.5	Very low	35.8	Very low	75 Å²	75	118.8 Å²	118.8	62%	0.62	65%	0.653	S	S	*	*			trans	-91.6	65.9	171.3	0	0	0	0	0	109.6
163	F	24.9	Very low	33.7	Very low	103 Å²	103	120.1 Å²	120.1	45%	0.452	65%	0.652	S	S	.	*			trans	-172.8	77.8	160.5	-124.9	-95.6	0	0	0	112	D161	D161-F163 VanDerWaalsContact C-N 3.35Å; D161-F163 PolarHBondContact O-N 2.91Å
164	C	28.1	Very low	31.7	Very low	94 Å²	94	120.1 Å²	120.1	64%	0.635	66%	0.655	S	S	*	*	S	Bend	trans	-146	104.6	146.4	-94.5	0	0	0	0	106
165	L	32.3	Very low	30.5	Very low	58 Å²	58	123.5 Å²	123.5	30%	0.304	66%	0.655	S	S	.	*			trans	-3.8	118.2	174.9	-66	170	0	0	0	116.1	M1 R35 Y36	M1-L165 HydrophobicContact CE-CD1 4.31Å; R35-L165 HydrophobicContact CB-CD2 4.34Å; Y36-L165 HydrophobicContact CD2-CD1 3.89Å; Y36-L165 HydrophobicContact CE2-CD1 3.5Å; Y36-L165 VanDerWaalsContact CE2-CD1 3.5Å; Y36-L165 HydrophobicContact CE2-CD2 3.95Å; Y36-L165 HydrophobicContact CE2-CG 3.81Å
166	G	25.1	Very low	29.7	Very low	81 Å²	81	122.3 Å²	122.3	84%	0.835	66%	0.657	S	S	*	*	S	Bend	trans	-51.3	149.2	159	0	0	0	0	0	111.7
167	G	27.9	Very low	29.1	Very low	56 Å²	56	120.3 Å²	120.3	58%	0.577	65%	0.649	S	S	*	*			trans	89	43.5	156.7	0	0	0	0	0	117.2	M1	M1-G167 PolarHBondContact N-O 3.28Å; M1-G167 VanDerWaalsContact N-O 3.12Å
168	I	29.5	Very low	28.4	Very low	84 Å²	84	124.6 Å²	124.6	43%	0.431	65%	0.651	S	S	.	*			trans	-104.5	80.5	157.6	-58.4	178.8	0	0	0	108.2	I170	I168-I170 HydrophobicContact CG2-CD1 3.34Å; I168-I170 HydrophobicContact CG2-CG1 3.52Å
169	R	24.3	Very low	28.1	Very low	223 Å²	223	126.3 Å²	126.3	84%	0.842	65%	0.653	S	S	*	*			trans	-80.2	118.3	155.6	-94.7	-177.9	172.6	171.6	-2.6	106.1
170	I	30.2	Very low	28	Very low	68 Å²	68	120.2 Å²	120.2	35%	0.349	64%	0.635	S	S	.	*			trans	-118.3	115.5	168.8	-62.3	174.6	0	0	0	104.1	T17 I168	T17-I170 VanDerWaalsContact CB-CD1 3.46Å; T17-I170 HydrophobicContact CG2-CD1 3.03Å; T17-I170 HydrophobicContact CG2-CG1 4.38Å; T17-I170 HydrophobicContact CG2-CG2 4.48Å; I168-I170 HydrophobicContact CG2-CD1 3.34Å; I168-I170 HydrophobicContact CG2-CG1 3.52Å
171	W	31.8	Very low	27.9	Very low	292 Å²	292	114.6 Å²	114.6	100%	1.106	62%	0.621	S	S	*	*			trans	-66.8	0	165.9	-66.1	91.7	0	0	0	109

Retrieved 171 of 171 residues in 49.2 ms (Link to these results)

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