A0A077YZZ6_TRITR Loading...

EF-hand 7 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YZZ6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 153 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	31.5	Very low	47.2	Very low	225 Å²	225	92.5 Å²	92.5	100%	1.108	51%	0.505	S	S	*	.				0	94.8	0	-168.5	165.3	165.1	0	0	106	V3	M1-V3 HydrophobicContact CG-CG2 4.04Å; M1-V3 PolarHBondContact O-N 3.34Å
2	A	35.2	Very low	48.4	Very low	85 Å²	85	86.9 Å²	86.9	70%	0.702	47%	0.473	S	S	*	.			trans	-93.5	80.4	-166.3	0	0	0	0	0	110.6
3	V	41.6	Very low	49.6	Very low	95 Å²	95	80.5 Å²	80.5	58%	0.576	44%	0.438	S	S	*	.			trans	-104.4	-4.4	-179.2	-155.2	0	0	0	0	111.7	M1	M1-V3 HydrophobicContact CG-CG2 4.04Å; M1-V3 PolarHBondContact O-N 3.34Å
4	V	42.1	Very low	50.5	Low	114 Å²	114	86.1 Å²	86.1	69%	0.691	45%	0.45	S	S	*	.	S	Bend	trans	-88.9	-23.5	-175	-169.1	0	0	0	0	111.7
5	D	51.6	Low	51.6	Low	68 Å²	68	86.6 Å²	86.6	36%	0.364	45%	0.453	S	S	.	.	H	α-helix	trans	-66.2	-57.8	-171.1	-75.1	-62.6	0	0	0	112.3	K7 F58	D5-K7 VanDerWaalsContact C-N 3.33Å; D5-K7 PolarHBondContact O-N 2.85Å; D5-K7 VanDerWaalsContact O-N 3.16Å; D5-F58 VanDerWaalsContact C-CE2 3.44Å; D5-F58 VanDerWaalsContact CA-CZ 3.45Å; D5-F58 HydrophobicContact CB-CE1 3.78Å; D5-F58 HydrophobicContact CB-CE2 4.36Å; D5-F58 HydrophobicContact CB-CZ 3.34Å; D5-F58 WeakPolarHBondContact O-CE2 3.32Å; D5-F58 WeakPolarHBondContact O-CZ 3.44Å
6	D	48.2	Very low	52.5	Low	111 Å²	111	86.5 Å²	86.5	59%	0.594	46%	0.462	S	S	*	.	H	α-helix	trans	-64.1	-29.7	-171.2	-162.1	79.1	0	0	0	115.3	V8 H10	D6-V8 PolarHBondContact O-N 2.87Å; D6-H10 PolarHBondContact O-CD2 2.98Å; D6-H10 IonicContact OD2-CD2 3.71Å; D6-H10 PolarHBondContact OD2-CD2 3.05Å; D6-H10 VanDerWaalsContact OD2-CD2 3.31Å; D6-H10 IonicContact OD2-NE2 3.31Å
7	K	52.9	Low	53.5	Low	113 Å²	113	85.1 Å²	85.1	49%	0.491	45%	0.454	S	S	.	.	H	α-helix	trans	-69.8	-34.2	-171.6	-71.3	-174.4	173.2	-170	0	113.6	D5 M11 E106	D5-K7 VanDerWaalsContact C-N 3.33Å; D5-K7 PolarHBondContact O-N 2.85Å; D5-K7 VanDerWaalsContact O-N 3.16Å; K7-M11 HydrophobicContact CB-CE 4.39Å; K7-M11 WeakPolarHBondContact O-CG 3.27Å; K7-M11 PolarHBondContact O-N 3.49Å; K7-E106 IonicContact NZ-OE1 2.83Å
8	V	50.9	Low	54.2	Low	38 Å²	38	82.3 Å²	82.3	23%	0.23	45%	0.449	C	S	.	.	H	α-helix	trans	-74.4	-37.8	-168.7	-175.7	0	0	0	0	111.7	D6 M11 F12 F61	D6-V8 PolarHBondContact O-N 2.87Å; V8-M11 WeakPolarHBondContact O-CB 3.47Å; V8-M11 PolarHBondContact O-N 3.1Å; V8-F12 HydrophobicContact CG1-CE2 4.16Å; V8-F12 WeakPolarHBondContact O-CD2 3.21Å; V8-F61 HydrophobicContact CB-CE1 4.07Å; V8-F61 HydrophobicContact CG1-CD1 4.47Å; V8-F61 HydrophobicContact CG1-CE1 3.36Å; V8-F61 HydrophobicContact CG1-CZ 3.44Å; V8-F61 VanDerWaalsContact CG1-CZ 3.44Å
9	V	50.8	Low	54.9	Low	6 Å²	6	79.2 Å²	79.2	4%	0.036	43%	0.433	C	S	.	.	H	α-helix	trans	-72.6	-36	177.4	166.4	0	0	0	0	111.5	M11 F12 D13 I20 F58 F61	V9-M11 PolarHBondContact O-N 2.75Å; V9-M11 VanDerWaalsContact O-N 3.1Å; V9-F12 PolarHBondContact O-N 3.07Å; V9-D13 HydrophobicContact CG1-CB 4.13Å; V9-D13 WeakPolarHBondContact O-CB 3.26Å; V9-D13 PolarHBondContact O-N 3.11Å; V9-I20 HydrophobicContact CG1-CG1 4.36Å; V9-I20 HydrophobicContact CG2-CD1 4.24Å; V9-F58 HydrophobicContact CB-CD2 3.75Å; V9-F58 HydrophobicContact CB-CE2 4.43Å; V9-F58 HydrophobicContact CG2-CB 4.32Å; V9-F58 HydrophobicContact CG2-CD2 3.33Å; V9-F58 HydrophobicContact CG2-CE2 3.93Å; V9-F58 HydrophobicContact CG2-CG 4.31Å; V9-F61 HydrophobicContact CG2-CB 4.14Å; V9-F61 HydrophobicContact CG2-CD1 4.05Å; V9-F61 HydrophobicContact CG2-CG 4.08Å
10	H	58.6	Low	55.6	Low	104 Å²	104	75.3 Å²	75.3	48%	0.481	41%	0.411	S	S	.	.	H	α-helix	trans	-59.7	-19.9	171.5	-86.6	-58.5	0	0	0	114.2	D6 F12	D6-H10 PolarHBondContact O-CD2 2.98Å; D6-H10 IonicContact OD2-CD2 3.71Å; D6-H10 PolarHBondContact OD2-CD2 3.05Å; D6-H10 VanDerWaalsContact OD2-CD2 3.31Å; D6-H10 IonicContact OD2-NE2 3.31Å; H10-F12 VanDerWaalsContact C-N 3.33Å
11	M	56.4	Low	56.4	Low	58 Å²	58	73.5 Å²	73.5	29%	0.286	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-25.8	175.6	-67.1	170.4	-174.4	0	0	112.9	K7 V8 V9 M104 E106	K7-M11 HydrophobicContact CB-CE 4.39Å; K7-M11 WeakPolarHBondContact O-CG 3.27Å; K7-M11 PolarHBondContact O-N 3.49Å; V8-M11 WeakPolarHBondContact O-CB 3.47Å; V8-M11 PolarHBondContact O-N 3.1Å; V9-M11 PolarHBondContact O-N 2.75Å; V9-M11 VanDerWaalsContact O-N 3.1Å; M11-M104 HydrophobicContact SD-CE 3.83Å; M11-E106 HydrophobicContact CE-CG 3.45Å; M11-E106 VanDerWaalsContact CE-CG 3.45Å
12	F	60.6	Low	58.6	Low	26 Å²	26	64.9 Å²	64.9	11%	0.114	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.8	-27.7	-172.5	-58.4	-57.3	0	0	0	113.5	V8 V9 H10 R14 I20 A28 F61 M104	V8-F12 HydrophobicContact CG1-CE2 4.16Å; V8-F12 WeakPolarHBondContact O-CD2 3.21Å; V9-F12 PolarHBondContact O-N 3.07Å; H10-F12 VanDerWaalsContact C-N 3.33Å; F12-R14 PolarHBondContact O-N 2.83Å; F12-I20 HydrophobicContact CB-CD1 3.56Å; F12-I20 HydrophobicContact CB-CG1 3.82Å; F12-I20 HydrophobicContact CB-CG2 4.26Å; F12-I20 HydrophobicContact CD2-CD1 3.88Å; F12-I20 HydrophobicContact CG-CD1 4.14Å; F12-A28 HydrophobicContact CB-CB 4.25Å; F12-A28 HydrophobicContact CD1-CB 3.06Å; F12-A28 HydrophobicContact CE1-CB 3.4Å; F12-A28 HydrophobicContact CG-CB 3.79Å; F12-A28 HydrophobicContact CZ-CB 4.35Å; F12-F61 HydrophobicContact CE2-CZ 4.45Å; F12-M104 HydrophobicContact CE1-CE 3.96Å; F12-M104 HydrophobicContact CE1-SD 4.28Å; F12-M104 HydrophobicContact CE2-CE 4.26Å; F12-M104 HydrophobicContact CZ-CE 3.46Å; F12-M104 VanDerWaalsContact CZ-CE 3.46Å; F12-M104 HydrophobicContact CZ-SD 4.31Å
13	D	65	Low	60.5	Low	4 Å²	4	68.9 Å²	68.9	2%	0.021	36%	0.361	C	S	.	.			trans	-73.2	86.9	174.4	175.8	16.6	0	0	0	110.7	V9 D15 S16 N17 G18	V9-D13 HydrophobicContact CG1-CB 4.13Å; V9-D13 WeakPolarHBondContact O-CB 3.26Å; V9-D13 PolarHBondContact O-N 3.11Å; D13-D15 VanDerWaalsContact C-N 3.31Å; D13-D15 PolarHBondContact O-N 3.37Å; D13-S16 VanDerWaalsContact CG-CA 3.45Å; D13-S16 PolarHBondContact O-N 3.4Å; D13-S16 VanDerWaalsContact OD1-CA 3.31Å; D13-S16 WeakPolarHBondContact OD1-CA 3.31Å; D13-S16 PolarHBondContact OD1-N 2.83Å; D13-S16 WeakPolarHBondContact OD2-CA 3.33Å; D13-N17 VanDerWaalsContact CG-N 3.33Å; D13-N17 PolarHBondContact OD1-N 3.28Å; D13-N17 PolarHBondContact OD2-N 2.71Å; D13-G18 VanDerWaalsContact OD2-CA 3.31Å; D13-G18 WeakPolarHBondContact OD2-CA 3.35Å; D13-G18 PolarHBondContact OD2-N 2.84Å
14	R	62.1	Low	62.1	Low	159 Å²	159	65 Å²	65	60%	0.6	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-27.5	-175.2	-80	-166.9	174.5	-170.2	4	112.2	F12 E24 M31	F12-R14 PolarHBondContact O-N 2.83Å; R14-E24 PolarHBondContact N-OE1 3.48Å; R14-M31 PolarHBondContact NH2-SD 2.82Å; R14-M31 VanDerWaalsContact NH2-SD 3.41Å
15	D	66.7	Low	63.6	Low	93 Å²	93	60.3 Å²	60.3	50%	0.497	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	0.3	177.4	72.5	7.7	0	0	0	113	D13 N17 E24	D13-D15 VanDerWaalsContact C-N 3.31Å; D13-D15 PolarHBondContact O-N 3.37Å; D15-N17 PolarHBondContact O-N 3.47Å; D15-N17 WeakPolarHBondContact OD1-CB 3.29Å; D15-N17 PolarHBondContact OD1-N 3.32Å; D15-N17 VanDerWaalsContact OD1-N 3.16Å; D15-N17 PolarHBondContact OD1-ND2 3.17Å; D15-N17 PolarHBondContact OD2-ND2 3.07Å; D15-E24 PolarHBondContact N-OE1 3.06Å
16	S	66.1	Low	64.6	Low	85 Å²	85	57.3 Å²	57.3	59%	0.594	29%	0.292	S	S	*	.			trans	57.4	33	178.3	-57	0	0	0	0	112.7	D13	D13-S16 VanDerWaalsContact CG-CA 3.45Å; D13-S16 PolarHBondContact O-N 3.4Å; D13-S16 VanDerWaalsContact OD1-CA 3.31Å; D13-S16 WeakPolarHBondContact OD1-CA 3.31Å; D13-S16 PolarHBondContact OD1-N 2.83Å; D13-S16 WeakPolarHBondContact OD2-CA 3.33Å
17	N	69.2	Low	65.8	Low	63 Å²	63	53.9 Å²	53.9	34%	0.337	28%	0.276	S	S	.	.	S	Bend	trans	-87.4	-4.3	-178.9	76.5	25.1	0	0	0	114	D13 D15 T19	D13-N17 VanDerWaalsContact CG-N 3.33Å; D13-N17 PolarHBondContact OD1-N 3.28Å; D13-N17 PolarHBondContact OD2-N 2.71Å; D15-N17 PolarHBondContact O-N 3.47Å; D15-N17 WeakPolarHBondContact OD1-CB 3.29Å; D15-N17 PolarHBondContact OD1-N 3.32Å; D15-N17 VanDerWaalsContact OD1-N 3.16Å; D15-N17 PolarHBondContact OD1-ND2 3.17Å; D15-N17 PolarHBondContact OD2-ND2 3.07Å; N17-T19 PolarHBondContact ND2-OG1 3.16Å; N17-T19 VanDerWaalsContact OD1-CA 3.3Å; N17-T19 WeakPolarHBondContact OD1-CA 3.35Å; N17-T19 WeakPolarHBondContact OD1-CB 3.23Å; N17-T19 PolarHBondContact OD1-N 2.78Å; N17-T19 PolarHBondContact OD1-O 2.91Å; N17-T19 PolarHBondContact OD1-OG1 2.86Å
18	G	66	Low	66.5	Low	35 Å²	35	48.7 Å²	48.7	36%	0.361	25%	0.253	S	S	.	.	S	Bend	trans	85.3	5.7	-177.2	0	0	0	0	0	115.2	D13	D13-G18 VanDerWaalsContact OD2-CA 3.31Å; D13-G18 WeakPolarHBondContact OD2-CA 3.35Å; D13-G18 PolarHBondContact OD2-N 2.84Å
19	T	67.2	Low	67.3	Low	22 Å²	22	47.6 Å²	47.6	14%	0.135	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	145.2	-175.7	69.8	0	0	0	0	110.9	N17 K55 M56 D57	N17-T19 PolarHBondContact ND2-OG1 3.16Å; N17-T19 VanDerWaalsContact OD1-CA 3.3Å; N17-T19 WeakPolarHBondContact OD1-CA 3.35Å; N17-T19 WeakPolarHBondContact OD1-CB 3.23Å; N17-T19 PolarHBondContact OD1-N 2.78Å; N17-T19 PolarHBondContact OD1-O 2.91Å; N17-T19 PolarHBondContact OD1-OG1 2.86Å; T19-K55 VanDerWaalsContact OG1-CD 3.3Å; T19-K55 WeakPolarHBondContact OG1-CD 3.46Å; T19-M56 CarbonylContact C-O 3.55Å; T19-M56 WeakPolarHBondContact CA-O 3.23Å; T19-D57 HydrophobicContact CG2-CB 3.83Å
20	I	69.5	Low	68.1	Low	1 Å²	1	54 Å²	54	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	107.1	177	-57.1	169.4	0	0	0	107.6	V9 F12 E24 L25 M56 F61	V9-I20 HydrophobicContact CG1-CG1 4.36Å; V9-I20 HydrophobicContact CG2-CD1 4.24Å; F12-I20 HydrophobicContact CB-CD1 3.56Å; F12-I20 HydrophobicContact CB-CG1 3.82Å; F12-I20 HydrophobicContact CB-CG2 4.26Å; F12-I20 HydrophobicContact CD2-CD1 3.88Å; F12-I20 HydrophobicContact CG-CD1 4.14Å; I20-E24 HydrophobicContact CG2-CB 3.7Å; I20-L25 HydrophobicContact CG2-CB 3.92Å; I20-M56 PolarHBondContact N-O 3.48Å; I20-M56 PolarHBondContact O-N 3.43Å; I20-F61 HydrophobicContact CD1-CD2 4.09Å; I20-F61 HydrophobicContact CD1-CE2 4.41Å
21	N	72.8	Confident	68.2	Low	38 Å²	38	54.1 Å²	54.1	20%	0.203	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	166.7	173.1	70.2	61.6	0	0	0	111.8	K23 E24 L25 K55	N21-K23 PolarHBondContact O-N 2.8Å; N21-K23 WeakPolarHBondContact OD1-CA 3.34Å; N21-K23 VanDerWaalsContact OD1-CB 3.23Å; N21-K23 WeakPolarHBondContact OD1-CB 3.45Å; N21-K23 PolarHBondContact OD1-N 2.97Å; N21-E24 PolarHBondContact N-OE2 2.91Å; N21-E24 PolarHBondContact ND2-OE2 2.9Å; N21-E24 CarbonylContact O-C 3.52Å; N21-E24 WeakPolarHBondContact O-CA 3.16Å; N21-E24 WeakPolarHBondContact O-CB 3.49Å; N21-E24 PolarHBondContact O-N 2.97Å; N21-E24 PolarHBondContact OD1-N 2.82Å; N21-L25 PolarHBondContact O-N 2.83Å; N21-K55 HydrophobicContact CB-CG 4.16Å
22	I	76.9	Confident	68.1	Low	44 Å²	44	53 Å²	53	23%	0.226	27%	0.266	C	S	.	.	H	α-helix	trans	-49.6	-38.2	178.7	-67.9	161.8	0	0	0	113.1	G26 L41 L42 V45	I22-G26 PolarHBondContact O-N 3.12Å; I22-L41 HydrophobicContact CG2-CB 3.89Å; I22-L41 HydrophobicContact CG2-CD1 4.28Å; I22-L42 HydrophobicContact CD1-CD2 3.54Å; I22-L42 HydrophobicContact CD1-CG 4.42Å; I22-V45 HydrophobicContact CG1-CB 4.07Å; I22-V45 HydrophobicContact CG1-CG1 4.16Å; I22-V45 HydrophobicContact CG1-CG2 3.69Å
23	K	75.2	Confident	67.9	Low	169 Å²	169	55 Å²	55	74%	0.735	29%	0.294	S	S	*	.	H	α-helix	trans	-73.1	-37.3	179.3	-59.1	177.5	178.7	174.2	0	111.2	N21 G26 V27	N21-K23 PolarHBondContact O-N 2.8Å; N21-K23 WeakPolarHBondContact OD1-CA 3.34Å; N21-K23 VanDerWaalsContact OD1-CB 3.23Å; N21-K23 WeakPolarHBondContact OD1-CB 3.45Å; N21-K23 PolarHBondContact OD1-N 2.97Å; K23-G26 PolarHBondContact O-N 2.76Å; K23-V27 VanDerWaalsContact O-CB 3.28Å; K23-V27 WeakPolarHBondContact O-CB 3.33Å; K23-V27 WeakPolarHBondContact O-CG2 3.36Å; K23-V27 PolarHBondContact O-N 3.42Å
24	E	75.6	Confident	67.7	Low	13 Å²	13	56.1 Å²	56.1	6%	0.061	30%	0.301	C	S	.	.	H	α-helix	trans	-67.6	-40.6	174.1	-72.5	171.6	140.9	0	0	111.2	R14 D15 I20 N21 G26 V27 A28	R14-E24 PolarHBondContact N-OE1 3.48Å; D15-E24 PolarHBondContact N-OE1 3.06Å; I20-E24 HydrophobicContact CG2-CB 3.7Å; N21-E24 PolarHBondContact N-OE2 2.91Å; N21-E24 PolarHBondContact ND2-OE2 2.9Å; N21-E24 CarbonylContact O-C 3.52Å; N21-E24 WeakPolarHBondContact O-CA 3.16Å; N21-E24 WeakPolarHBondContact O-CB 3.49Å; N21-E24 PolarHBondContact O-N 2.97Å; N21-E24 PolarHBondContact OD1-N 2.82Å; E24-G26 VanDerWaalsContact C-N 3.34Å; E24-V27 CarbonylContact O-C 3.55Å; E24-V27 PolarHBondContact O-N 2.75Å; E24-A28 WeakPolarHBondContact O-CB 3.45Å; E24-A28 PolarHBondContact O-N 3.21Å
25	L	72.9	Confident	68	Low	17 Å²	17	54.2 Å²	54.2	9%	0.089	30%	0.302	C	S	.	.	H	α-helix	trans	-62.6	-42.3	170.7	-174.8	65.6	0	0	0	110.9	I20 N21 V27 A28 M29 L41 I44 V45	I20-L25 HydrophobicContact CG2-CB 3.92Å; N21-L25 PolarHBondContact O-N 2.83Å; L25-V27 VanDerWaalsContact C-N 3.34Å; L25-V27 PolarHBondContact O-N 2.82Å; L25-A28 WeakPolarHBondContact O-CB 3.45Å; L25-A28 PolarHBondContact O-N 2.93Å; L25-M29 HydrophobicContact CG-SD 4.28Å; L25-M29 WeakPolarHBondContact O-CB 3.5Å; L25-M29 VanDerWaalsContact O-CG 3.25Å; L25-M29 WeakPolarHBondContact O-CG 3.23Å; L25-M29 PolarHBondContact O-N 3.25Å; L25-L41 HydrophobicContact CB-CD2 4.19Å; L25-L41 HydrophobicContact CD2-CD2 3.88Å; L25-L41 HydrophobicContact CG-CD2 3.72Å; L25-I44 HydrophobicContact CD2-CB 4.14Å; L25-I44 HydrophobicContact CD2-CG2 3.81Å; L25-V45 HydrophobicContact CD2-CG2 3.77Å
26	G	73.4	Confident	68.3	Low	4 Å²	4	50.1 Å²	50.1	4%	0.041	28%	0.281	C	S	.	.	H	α-helix	trans	-64.6	-38.4	175.5	0	0	0	0	0	112.8	I22 K23 E24 R30 L41	I22-G26 PolarHBondContact O-N 3.12Å; K23-G26 PolarHBondContact O-N 2.76Å; E24-G26 VanDerWaalsContact C-N 3.34Å; G26-R30 VanDerWaalsContact O-CB 3.26Å; G26-R30 WeakPolarHBondContact O-CB 3.43Å; G26-R30 WeakPolarHBondContact O-CD 3.45Å; G26-R30 WeakPolarHBondContact O-CG 3.09Å; G26-R30 PolarHBondContact O-N 2.7Å; G26-L41 VanDerWaalsContact CA-CD1 3.45Å
27	V	73.6	Confident	68.8	Low	40 Å²	40	49.6 Å²	49.6	24%	0.242	27%	0.274	C	S	.	.	H	α-helix	trans	-69.9	-42.2	174.6	163.7	0	0	0	0	110.8	K23 E24 L25 R30 M31	K23-V27 VanDerWaalsContact O-CB 3.28Å; K23-V27 WeakPolarHBondContact O-CB 3.33Å; K23-V27 WeakPolarHBondContact O-CG2 3.36Å; K23-V27 PolarHBondContact O-N 3.42Å; E24-V27 CarbonylContact O-C 3.55Å; E24-V27 PolarHBondContact O-N 2.75Å; L25-V27 VanDerWaalsContact C-N 3.34Å; L25-V27 PolarHBondContact O-N 2.82Å; V27-R30 CarbonylContact O-C 3.56Å; V27-R30 PolarHBondContact O-N 2.97Å; V27-M31 HydrophobicContact CG1-CG 4.28Å; V27-M31 HydrophobicContact CG1-SD 3.65Å; V27-M31 WeakPolarHBondContact O-CB 3.32Å; V27-M31 WeakPolarHBondContact O-CG 3.46Å; V27-M31 PolarHBondContact O-N 3.37Å
28	A	67.8	Low	69.2	Low	3 Å²	3	53.4 Å²	53.4	3%	0.025	29%	0.29	C	S	.	.	H	α-helix	trans	-54.5	-60.3	172.7	0	0	0	0	0	108.9	F12 E24 L25 R30 M31 L32	F12-A28 HydrophobicContact CB-CB 4.25Å; F12-A28 HydrophobicContact CD1-CB 3.06Å; F12-A28 HydrophobicContact CE1-CB 3.4Å; F12-A28 HydrophobicContact CG-CB 3.79Å; F12-A28 HydrophobicContact CZ-CB 4.35Å; E24-A28 WeakPolarHBondContact O-CB 3.45Å; E24-A28 PolarHBondContact O-N 3.21Å; L25-A28 WeakPolarHBondContact O-CB 3.45Å; L25-A28 PolarHBondContact O-N 2.93Å; A28-R30 VanDerWaalsContact C-N 3.26Å; A28-R30 PolarHBondContact O-N 2.9Å; A28-M31 CarbonylContact O-C 3.54Å; A28-M31 WeakPolarHBondContact O-CA 3.4Å; A28-M31 WeakPolarHBondContact O-CB 3.42Å; A28-M31 PolarHBondContact O-N 3.3Å; A28-L32 WeakPolarHBondContact O-CG 3.17Å; A28-L32 PolarHBondContact O-N 3.37Å
29	M	66.4	Low	69.6	Low	16 Å²	16	57.1 Å²	57.1	8%	0.079	30%	0.301	C	S	.	.	H	α-helix	trans	-56	-38	177.3	-69.9	-175.7	83.4	0	0	112.5	L25 L32 G33 L34 P36 L41 I44	L25-M29 HydrophobicContact CG-SD 4.28Å; L25-M29 WeakPolarHBondContact O-CB 3.5Å; L25-M29 VanDerWaalsContact O-CG 3.25Å; L25-M29 WeakPolarHBondContact O-CG 3.23Å; L25-M29 PolarHBondContact O-N 3.25Å; M29-L32 CarbonylContact O-C 3.58Å; M29-L32 WeakPolarHBondContact O-CB 3.31Å; M29-L32 PolarHBondContact O-N 2.74Å; M29-G33 PolarHBondContact O-N 2.88Å; M29-L34 HydrophobicContact CB-CB 4.15Å; M29-L34 HydrophobicContact CB-CD1 4.3Å; M29-L34 HydrophobicContact CE-CD1 3.6Å; M29-L34 HydrophobicContact CG-CD1 4.32Å; M29-L34 WeakPolarHBondContact O-CA 3.49Å; M29-L34 VanDerWaalsContact O-CB 3.24Å; M29-L34 WeakPolarHBondContact O-CB 3.44Å; M29-L34 PolarHBondContact O-N 2.88Å; M29-P36 HydrophobicContact CB-CG 3.58Å; M29-P36 HydrophobicContact CE-CB 3.84Å; M29-P36 HydrophobicContact CE-CG 4.14Å; M29-P36 HydrophobicContact CG-CG 4.29Å; M29-P36 HydrophobicContact SD-CB 3.92Å; M29-P36 HydrophobicContact SD-CG 3.79Å; M29-L41 HydrophobicContact CG-CD2 4.39Å; M29-L41 HydrophobicContact SD-CD2 3.35Å; M29-L41 WeakPolarHBondContact SD-CD2 3.3Å; M29-I44 HydrophobicContact CE-CD1 4.11Å; M29-I44 HydrophobicContact SD-CD1 3.99Å
30	R	67.6	Low	69.8	Low	139 Å²	139	60.2 Å²	60.2	53%	0.525	31%	0.314	S	S	.	.	H	α-helix	trans	-68.1	-36.4	173	-73.3	168.2	-168.8	-81.5	-8.1	114.1	G26 V27 A28 L32 G33 L34 N35	G26-R30 VanDerWaalsContact O-CB 3.26Å; G26-R30 WeakPolarHBondContact O-CB 3.43Å; G26-R30 WeakPolarHBondContact O-CD 3.45Å; G26-R30 WeakPolarHBondContact O-CG 3.09Å; G26-R30 PolarHBondContact O-N 2.7Å; V27-R30 CarbonylContact O-C 3.56Å; V27-R30 PolarHBondContact O-N 2.97Å; A28-R30 VanDerWaalsContact C-N 3.26Å; A28-R30 PolarHBondContact O-N 2.9Å; R30-L32 VanDerWaalsContact C-N 3.27Å; R30-G33 PolarHBondContact O-N 3.46Å; R30-L34 WeakPolarHBondContact CA-O 3.18Å; R30-N35 VanDerWaalsContact CZ-OD1 3.26Å; R30-N35 PolarHBondContact NH1-OD1 3.32Å; R30-N35 PolarHBondContact NH2-OD1 3.31Å
31	M	61.3	Low	70	Confident	107 Å²	107	60.7 Å²	60.7	53%	0.527	32%	0.317	S	S	.	.	H	α-helix	trans	-68.4	-32.3	173.7	-74	170.8	124.1	0	0	111	R14 V27 A28 G33	R14-M31 PolarHBondContact NH2-SD 2.82Å; R14-M31 VanDerWaalsContact NH2-SD 3.41Å; V27-M31 HydrophobicContact CG1-CG 4.28Å; V27-M31 HydrophobicContact CG1-SD 3.65Å; V27-M31 WeakPolarHBondContact O-CB 3.32Å; V27-M31 WeakPolarHBondContact O-CG 3.46Å; V27-M31 PolarHBondContact O-N 3.37Å; A28-M31 CarbonylContact O-C 3.54Å; A28-M31 WeakPolarHBondContact O-CA 3.4Å; A28-M31 WeakPolarHBondContact O-CB 3.42Å; A28-M31 PolarHBondContact O-N 3.3Å; M31-G33 PolarHBondContact O-N 3.42Å
32	L	54.3	Low	70.1	Confident	34 Å²	34	61.6 Å²	61.6	18%	0.178	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-4	170	-58.5	174.6	0	0	0	112.4	A28 M29 R30 L34 V83 F100 M104	A28-L32 WeakPolarHBondContact O-CG 3.17Å; A28-L32 PolarHBondContact O-N 3.37Å; M29-L32 CarbonylContact O-C 3.58Å; M29-L32 WeakPolarHBondContact O-CB 3.31Å; M29-L32 PolarHBondContact O-N 2.74Å; R30-L32 VanDerWaalsContact C-N 3.27Å; L32-L34 VanDerWaalsContact C-N 3.32Å; L32-V83 HydrophobicContact CB-CB 4.4Å; L32-V83 HydrophobicContact CB-CG1 3.71Å; L32-V83 HydrophobicContact CB-CG2 3.79Å; L32-V83 HydrophobicContact CD2-CG1 4.06Å; L32-V83 HydrophobicContact CG-CG1 4.4Å; L32-V83 VanDerWaalsContact O-CG1 3.3Å; L32-V83 WeakPolarHBondContact O-CG1 3.08Å; L32-V83 WeakPolarHBondContact O-CG2 3.32Å; L32-F100 HydrophobicContact CD2-CE2 3.21Å; L32-F100 HydrophobicContact CD2-CZ 3.25Å; L32-F100 HydrophobicContact CG-CE2 4.43Å; L32-M104 HydrophobicContact CD2-CE 4.37Å; L32-M104 HydrophobicContact CD2-SD 3.52Å; L32-M104 VanDerWaalsContact CD2-SD 3.52Å
33	G	56	Low	69.9	Low	68 Å²	68	64.5 Å²	64.5	70%	0.701	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.2	2.4	-180	0	0	0	0	0	114.7	M29 R30 M31	M29-G33 PolarHBondContact O-N 2.88Å; R30-G33 PolarHBondContact O-N 3.46Å; M31-G33 PolarHBondContact O-N 3.42Å
34	L	60.3	Low	69.7	Low	29 Å²	29	57.5 Å²	57.5	15%	0.152	31%	0.308	C	S	.	.			trans	-77.8	153.7	169.2	-55.5	173.6	0	0	0	110	M29 R30 L32 P36 L79 V83	M29-L34 HydrophobicContact CB-CB 4.15Å; M29-L34 HydrophobicContact CB-CD1 4.3Å; M29-L34 HydrophobicContact CE-CD1 3.6Å; M29-L34 HydrophobicContact CG-CD1 4.32Å; M29-L34 WeakPolarHBondContact O-CA 3.49Å; M29-L34 VanDerWaalsContact O-CB 3.24Å; M29-L34 WeakPolarHBondContact O-CB 3.44Å; M29-L34 PolarHBondContact O-N 2.88Å; R30-L34 WeakPolarHBondContact CA-O 3.18Å; L32-L34 VanDerWaalsContact C-N 3.32Å; L34-P36 VanDerWaalsContact C-CD 3.43Å; L34-P36 WeakPolarHBondContact O-CD 3.46Å; L34-L79 HydrophobicContact CD1-CB 4.33Å; L34-L79 HydrophobicContact CD1-CD2 4.43Å; L34-L79 HydrophobicContact CD2-CD2 3.9Å; L34-V83 HydrophobicContact CD1-CG2 3.7Å; L34-V83 HydrophobicContact CD2-CG2 3.62Å; L34-V83 HydrophobicContact CG-CG2 3.44Å; L34-V83 VanDerWaalsContact CG-CG2 3.44Å
35	N	69.7	Low	69.5	Low	119 Å²	119	57 Å²	57	64%	0.636	31%	0.305	S	S	*	.			trans	-123.2	67.9	170.2	-173.1	45.1	0	0	0	108.8	R30	R30-N35 VanDerWaalsContact CZ-OD1 3.26Å; R30-N35 PolarHBondContact NH1-OD1 3.32Å; R30-N35 PolarHBondContact NH2-OD1 3.31Å
36	P	72.4	Confident	69.5	Low	6 Å²	6	61.5 Å²	61.5	4%	0.039	33%	0.329	C	S	.	.			trans	-63.8	143.8	-177.5	32	-38.8	0	0	0	109.7	M29 L34 E40 L41	M29-P36 HydrophobicContact CB-CG 3.58Å; M29-P36 HydrophobicContact CE-CB 3.84Å; M29-P36 HydrophobicContact CE-CG 4.14Å; M29-P36 HydrophobicContact CG-CG 4.29Å; M29-P36 HydrophobicContact SD-CB 3.92Å; M29-P36 HydrophobicContact SD-CG 3.79Å; L34-P36 VanDerWaalsContact C-CD 3.43Å; L34-P36 WeakPolarHBondContact O-CD 3.46Å; P36-E40 WeakPolarHBondContact CA-OE2 3.36Å; P36-E40 HydrophobicContact CB-CB 4.33Å; P36-L41 HydrophobicContact CB-CD2 4.05Å; P36-L41 HydrophobicContact CB-CG 3.98Å; P36-L41 HydrophobicContact CG-CD1 4.13Å; P36-L41 HydrophobicContact CG-CD2 3.78Å; P36-L41 HydrophobicContact CG-CG 3.95Å
37	T	75.9	Confident	69.4	Low	74 Å²	74	66.9 Å²	66.9	45%	0.454	35%	0.354	S	S	.	.			trans	-69.8	158.5	166.3	59.4	0	0	0	0	109.9	D39 E40 L41	T37-D39 PolarHBondContact O-N 3.45Å; T37-E40 PolarHBondContact N-OE2 3.17Å; T37-E40 PolarHBondContact O-N 2.87Å; T37-E40 VanDerWaalsContact OG1-CG 3.26Å; T37-E40 WeakPolarHBondContact OG1-CG 3.36Å; T37-E40 PolarHBondContact OG1-N 2.83Å; T37-E40 PolarHBondContact OG1-OE2 2.88Å; T37-L41 WeakPolarHBondContact O-CG 3.1Å; T37-L41 PolarHBondContact O-N 3.43Å; T37-L41 VanDerWaalsContact O-N 3.15Å
38	E	77.8	Confident	69.1	Low	143 Å²	143	66.1 Å²	66.1	67%	0.668	35%	0.347	S	S	*	.	H	α-helix	trans	-61.5	-36.3	175.6	-165.1	170.3	137.2	0	0	111.1	L41 L42	E38-L41 PolarHBondContact O-N 2.95Å; E38-L42 HydrophobicContact CG-CD1 4.14Å; E38-L42 VanDerWaalsContact O-CB 3.32Å; E38-L42 WeakPolarHBondContact O-CB 3.49Å; E38-L42 VanDerWaalsContact O-CG 3.25Å; E38-L42 WeakPolarHBondContact O-CG 3.25Å; E38-L42 PolarHBondContact O-N 3.19Å
39	D	75.6	Confident	69.4	Low	113 Å²	113	66.9 Å²	66.9	60%	0.604	35%	0.351	S	S	*	.	H	α-helix	trans	-60.7	-43.3	173.4	-73.4	-91.6	0	0	0	113	T37 L42 N43	T37-D39 PolarHBondContact O-N 3.45Å; D39-L42 PolarHBondContact O-N 2.82Å; D39-N43 WeakPolarHBondContact O-CB 3.4Å; D39-N43 PolarHBondContact O-N 3.19Å; D39-N43 PolarHBondContact O-ND2 2.72Å
40	E	70	Confident	69.5	Low	88 Å²	88	71 Å²	71	41%	0.411	37%	0.373	S	S	.	.	H	α-helix	trans	-63.1	-43.7	176.3	-76.5	165	134.9	0	0	111.4	P36 T37 N43 I44	P36-E40 WeakPolarHBondContact CA-OE2 3.36Å; P36-E40 HydrophobicContact CB-CB 4.33Å; T37-E40 PolarHBondContact N-OE2 3.17Å; T37-E40 PolarHBondContact O-N 2.87Å; T37-E40 VanDerWaalsContact OG1-CG 3.26Å; T37-E40 WeakPolarHBondContact OG1-CG 3.36Å; T37-E40 PolarHBondContact OG1-N 2.83Å; T37-E40 PolarHBondContact OG1-OE2 2.88Å; E40-N43 PolarHBondContact O-N 2.89Å; E40-I44 VanDerWaalsContact O-CG1 3.28Å; E40-I44 WeakPolarHBondContact O-CG1 3.46Å; E40-I44 PolarHBondContact O-N 3.29Å
41	L	74.3	Confident	69.8	Low	11 Å²	11	69 Å²	69	6%	0.058	37%	0.372	C	S	.	.	H	α-helix	trans	-64.3	-42	176.6	-64.9	169.7	0	0	0	111.8	I22 L25 G26 M29 P36 T37 E38 N43 I44 V45	I22-L41 HydrophobicContact CG2-CB 3.89Å; I22-L41 HydrophobicContact CG2-CD1 4.28Å; L25-L41 HydrophobicContact CB-CD2 4.19Å; L25-L41 HydrophobicContact CD2-CD2 3.88Å; L25-L41 HydrophobicContact CG-CD2 3.72Å; G26-L41 VanDerWaalsContact CA-CD1 3.45Å; M29-L41 HydrophobicContact CG-CD2 4.39Å; M29-L41 HydrophobicContact SD-CD2 3.35Å; M29-L41 WeakPolarHBondContact SD-CD2 3.3Å; P36-L41 HydrophobicContact CB-CD2 4.05Å; P36-L41 HydrophobicContact CB-CG 3.98Å; P36-L41 HydrophobicContact CG-CD1 4.13Å; P36-L41 HydrophobicContact CG-CD2 3.78Å; P36-L41 HydrophobicContact CG-CG 3.95Å; T37-L41 WeakPolarHBondContact O-CG 3.1Å; T37-L41 PolarHBondContact O-N 3.43Å; T37-L41 VanDerWaalsContact O-N 3.15Å; E38-L41 PolarHBondContact O-N 2.95Å; L41-N43 VanDerWaalsContact C-N 3.34Å; L41-I44 PolarHBondContact O-N 2.97Å; L41-V45 WeakPolarHBondContact O-CG2 3.21Å; L41-V45 PolarHBondContact O-N 3.29Å
42	L	74.6	Confident	70.5	Confident	57 Å²	57	66.7 Å²	66.7	30%	0.298	38%	0.376	S	S	.	.	H	α-helix	trans	-63.4	-40.7	176.8	-80.4	166.1	0	0	0	111.4	I22 E38 D39 V45 N46	I22-L42 HydrophobicContact CD1-CD2 3.54Å; I22-L42 HydrophobicContact CD1-CG 4.42Å; E38-L42 HydrophobicContact CG-CD1 4.14Å; E38-L42 VanDerWaalsContact O-CB 3.32Å; E38-L42 WeakPolarHBondContact O-CB 3.49Å; E38-L42 VanDerWaalsContact O-CG 3.25Å; E38-L42 WeakPolarHBondContact O-CG 3.25Å; E38-L42 PolarHBondContact O-N 3.19Å; D39-L42 PolarHBondContact O-N 2.82Å; L42-V45 PolarHBondContact O-N 3.23Å; L42-N46 WeakPolarHBondContact O-CB 3.27Å; L42-N46 PolarHBondContact O-N 3.05Å; L42-N46 PolarHBondContact O-ND2 3.2Å
43	N	73.6	Confident	71.5	Confident	104 Å²	104	68.4 Å²	68.4	56%	0.556	39%	0.385	S	S	*	.	H	α-helix	trans	-64	-45.8	176.9	-72.4	-21	0	0	0	111	D39 E40 L41 V45 N46 E47	D39-N43 WeakPolarHBondContact O-CB 3.4Å; D39-N43 PolarHBondContact O-N 3.19Å; D39-N43 PolarHBondContact O-ND2 2.72Å; E40-N43 PolarHBondContact O-N 2.89Å; L41-N43 VanDerWaalsContact C-N 3.34Å; N43-V45 PolarHBondContact O-N 3.18Å; N43-N46 PolarHBondContact O-N 3.45Å; N43-E47 WeakPolarHBondContact O-CB 3.39Å; N43-E47 PolarHBondContact O-N 3.02Å
44	I	69.8	Low	72.2	Confident	23 Å²	23	66.6 Å²	66.6	12%	0.118	37%	0.367	C	S	.	.	H	α-helix	trans	-59.8	-49.8	176.4	-64.8	162.9	0	0	0	110.1	L25 M29 E40 L41 E47 F48 M56 M64 L76	L25-I44 HydrophobicContact CD2-CB 4.14Å; L25-I44 HydrophobicContact CD2-CG2 3.81Å; M29-I44 HydrophobicContact CE-CD1 4.11Å; M29-I44 HydrophobicContact SD-CD1 3.99Å; E40-I44 VanDerWaalsContact O-CG1 3.28Å; E40-I44 WeakPolarHBondContact O-CG1 3.46Å; E40-I44 PolarHBondContact O-N 3.29Å; L41-I44 PolarHBondContact O-N 2.97Å; I44-E47 PolarHBondContact O-N 2.73Å; I44-F48 HydrophobicContact CG2-CD2 4.35Å; I44-F48 VanDerWaalsContact O-CD2 3.27Å; I44-F48 WeakPolarHBondContact O-CD2 3.3Å; I44-F48 PolarHBondContact O-N 3.4Å; I44-M56 HydrophobicContact CG2-CE 4.07Å; I44-M64 HydrophobicContact CG2-SD 4.24Å; I44-L76 HydrophobicContact CD1-CD2 4.4Å
45	V	72.2	Confident	72.8	Confident	2 Å²	2	69 Å²	69	1%	0.012	38%	0.376	C	S	.	.	H	α-helix	trans	-63.1	-49.9	179.9	173.8	0	0	0	0	110.3	I22 L25 L41 L42 N43 E47 F48 D49	I22-V45 HydrophobicContact CG1-CB 4.07Å; I22-V45 HydrophobicContact CG1-CG1 4.16Å; I22-V45 HydrophobicContact CG1-CG2 3.69Å; L25-V45 HydrophobicContact CD2-CG2 3.77Å; L41-V45 WeakPolarHBondContact O-CG2 3.21Å; L41-V45 PolarHBondContact O-N 3.29Å; L42-V45 PolarHBondContact O-N 3.23Å; N43-V45 PolarHBondContact O-N 3.18Å; V45-E47 PolarHBondContact O-N 3.23Å; V45-E47 VanDerWaalsContact O-N 3.12Å; V45-F48 PolarHBondContact O-N 3.16Å; V45-F48 VanDerWaalsContact O-N 3.1Å; V45-D49 HydrophobicContact CG1-CB 3.88Å; V45-D49 WeakPolarHBondContact O-CA 3.45Å; V45-D49 WeakPolarHBondContact O-CB 3.41Å; V45-D49 PolarHBondContact O-N 3.09Å
46	N	73.7	Confident	72.8	Confident	111 Å²	111	63.4 Å²	63.4	59%	0.594	35%	0.346	S	S	*	.	H	α-helix	trans	-59.9	-27	-179.9	-76.9	-45.1	0	0	0	114.3	L42 N43	L42-N46 WeakPolarHBondContact O-CB 3.27Å; L42-N46 PolarHBondContact O-N 3.05Å; L42-N46 PolarHBondContact O-ND2 3.2Å; N43-N46 PolarHBondContact O-N 3.45Å
47	E	71	Confident	72.4	Confident	117 Å²	117	65.1 Å²	65.1	55%	0.547	36%	0.355	S	S	.	.	H	α-helix	trans	-77.3	-31.2	179.1	-169.3	169.5	98.8	0	0	112.6	N43 I44 V45	N43-E47 WeakPolarHBondContact O-CB 3.39Å; N43-E47 PolarHBondContact O-N 3.02Å; I44-E47 PolarHBondContact O-N 2.73Å; V45-E47 PolarHBondContact O-N 3.23Å; V45-E47 VanDerWaalsContact O-N 3.12Å
48	F	67.7	Low	71.5	Confident	24 Å²	24	64.7 Å²	64.7	11%	0.105	35%	0.347	C	S	.	.	H	α-helix	trans	-114.6	-13	-173	-64.7	-73.1	0	0	0	114.7	I44 V45 L50 M56 E60 M64	I44-F48 HydrophobicContact CG2-CD2 4.35Å; I44-F48 VanDerWaalsContact O-CD2 3.27Å; I44-F48 WeakPolarHBondContact O-CD2 3.3Å; I44-F48 PolarHBondContact O-N 3.4Å; V45-F48 PolarHBondContact O-N 3.16Å; V45-F48 VanDerWaalsContact O-N 3.1Å; F48-L50 PolarHBondContact O-N 3.12Å; F48-L50 VanDerWaalsContact O-N 3.08Å; F48-M56 HydrophobicContact CB-CE 3.78Å; F48-M56 HydrophobicContact CD2-CE 4.48Å; F48-M56 HydrophobicContact CG-CE 4.47Å; F48-E60 WeakPolarHBondContact O-CG 3.39Å; F48-M64 HydrophobicContact CB-CB 4.33Å; F48-M64 VanDerWaalsContact CD1-CA 3.49Å; F48-M64 HydrophobicContact CD1-CB 3.52Å; F48-M64 HydrophobicContact CD1-CG 3.75Å; F48-M64 HydrophobicContact CD2-CB 4.2Å; F48-M64 HydrophobicContact CD2-CG 3.62Å; F48-M64 HydrophobicContact CD2-SD 4.03Å; F48-M64 HydrophobicContact CE1-CB 3.85Å; F48-M64 HydrophobicContact CE1-CG 3.76Å; F48-M64 HydrophobicContact CE2-CB 4.49Å; F48-M64 HydrophobicContact CE2-CG 3.65Å; F48-M64 HydrophobicContact CE2-SD 4.31Å; F48-M64 HydrophobicContact CG-CB 3.74Å; F48-M64 HydrophobicContact CG-CG 3.71Å; F48-M64 HydrophobicContact CG-SD 4.41Å; F48-M64 HydrophobicContact CZ-CB 4.33Å; F48-M64 HydrophobicContact CZ-CG 3.71Å
49	D	73.3	Confident	70.8	Confident	19 Å²	19	64.4 Å²	64.4	10%	0.102	35%	0.346	C	S	.	.			trans	-74.7	84.4	171.7	178.7	14	0	0	0	109	V45 G52 N53 G54 E60	V45-D49 HydrophobicContact CG1-CB 3.88Å; V45-D49 WeakPolarHBondContact O-CA 3.45Å; V45-D49 WeakPolarHBondContact O-CB 3.41Å; V45-D49 PolarHBondContact O-N 3.09Å; D49-G52 WeakPolarHBondContact OD1-CA 3.39Å; D49-G52 PolarHBondContact OD1-N 2.99Å; D49-G52 WeakPolarHBondContact OD2-CA 3.26Å; D49-N53 PolarHBondContact OD1-N 3.46Å; D49-N53 PolarHBondContact OD2-N 3.42Å; D49-G54 WeakPolarHBondContact OD2-CA 3.38Å; D49-G54 PolarHBondContact OD2-N 3.33Å; D49-E60 WeakPolarHBondContact CA-OE1 3.29Å
50	L	68.6	Low	70.4	Confident	103 Å²	103	59.4 Å²	59.4	54%	0.539	32%	0.319	S	S	.	.	S	Bend	trans	-80.1	-26.2	-174.3	-70.1	176.5	0	0	0	112.1	F48 E60 R63	F48-L50 PolarHBondContact O-N 3.12Å; F48-L50 VanDerWaalsContact O-N 3.08Å; L50-E60 PolarHBondContact N-OE1 3.33Å; L50-R63 VanDerWaalsContact CD1-CD 3.49Å; L50-R63 VanDerWaalsContact CD1-CZ 3.41Å
51	D	74.7	Confident	70.1	Confident	96 Å²	96	55.9 Å²	55.9	51%	0.513	30%	0.302	S	S	.	.	S	Bend	trans	-89	-11.3	176.4	82.8	-7.8	0	0	0	112.9	N53 E60	D51-N53 VanDerWaalsContact C-N 3.32Å; D51-N53 WeakPolarHBondContact OD1-CB 3.43Å; D51-N53 PolarHBondContact OD1-N 3.49Å; D51-N53 PolarHBondContact OD1-ND2 2.82Å; D51-N53 PolarHBondContact OD2-ND2 3Å; D51-E60 PolarHBondContact N-OE1 2.94Å
52	G	75.2	Confident	69.1	Low	59 Å²	59	56 Å²	56	61%	0.608	30%	0.304	S	S	*	.			trans	72.5	24.3	177	0	0	0	0	0	112.8	D49 G54	D49-G52 WeakPolarHBondContact OD1-CA 3.39Å; D49-G52 PolarHBondContact OD1-N 2.99Å; D49-G52 WeakPolarHBondContact OD2-CA 3.26Å; G52-G54 VanDerWaalsContact C-N 3.3Å
53	N	74.8	Confident	68.5	Low	70 Å²	70	60 Å²	60	37%	0.374	31%	0.314	S	S	.	.	S	Bend	trans	-83.1	-6.4	-177.1	77.9	31.7	0	0	0	113.1	D49 D51 K55	D49-N53 PolarHBondContact OD1-N 3.46Å; D49-N53 PolarHBondContact OD2-N 3.42Å; D51-N53 VanDerWaalsContact C-N 3.32Å; D51-N53 WeakPolarHBondContact OD1-CB 3.43Å; D51-N53 PolarHBondContact OD1-N 3.49Å; D51-N53 PolarHBondContact OD1-ND2 2.82Å; D51-N53 PolarHBondContact OD2-ND2 3Å; N53-K55 VanDerWaalsContact C-N 3.32Å; N53-K55 WeakPolarHBondContact OD1-CA 3.43Å; N53-K55 WeakPolarHBondContact OD1-CB 3.2Å; N53-K55 WeakPolarHBondContact OD1-CG 3.06Å; N53-K55 PolarHBondContact OD1-N 3.21Å; N53-K55 PolarHBondContact OD1-O 3.41Å; N53-K55 VanDerWaalsContact OD1-O 3.06Å
54	G	71.2	Confident	68	Low	30 Å²	30	55.7 Å²	55.7	31%	0.309	29%	0.291	S	S	.	.	S	Bend	trans	77.6	14.2	-178.7	0	0	0	0	0	114.3	D49 G52	D49-G54 WeakPolarHBondContact OD2-CA 3.38Å; D49-G54 PolarHBondContact OD2-N 3.33Å; G52-G54 VanDerWaalsContact C-N 3.3Å
55	K	71.7	Confident	67	Low	80 Å²	80	58.7 Å²	58.7	35%	0.348	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	160.6	179.3	-42.7	-178.4	-179.1	-176.4	0	108.2	T19 N21 N53	T19-K55 VanDerWaalsContact OG1-CD 3.3Å; T19-K55 WeakPolarHBondContact OG1-CD 3.46Å; N21-K55 HydrophobicContact CB-CG 4.16Å; N53-K55 VanDerWaalsContact C-N 3.32Å; N53-K55 WeakPolarHBondContact OD1-CA 3.43Å; N53-K55 WeakPolarHBondContact OD1-CB 3.2Å; N53-K55 WeakPolarHBondContact OD1-CG 3.06Å; N53-K55 PolarHBondContact OD1-N 3.21Å; N53-K55 PolarHBondContact OD1-O 3.41Å; N53-K55 VanDerWaalsContact OD1-O 3.06Å
56	M	70.4	Confident	66	Low	1 Å²	1	65.3 Å²	65.3	1%	0.005	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	108.9	176.7	-173.1	176.5	-64.2	0	0	108.9	T19 I20 I44 F48 E60 F61 M64	T19-M56 CarbonylContact C-O 3.55Å; T19-M56 WeakPolarHBondContact CA-O 3.23Å; I20-M56 PolarHBondContact N-O 3.48Å; I20-M56 PolarHBondContact O-N 3.43Å; I44-M56 HydrophobicContact CG2-CE 4.07Å; F48-M56 HydrophobicContact CB-CE 3.78Å; F48-M56 HydrophobicContact CD2-CE 4.48Å; F48-M56 HydrophobicContact CG-CE 4.47Å; M56-E60 WeakPolarHBondContact CA-OE2 3.31Å; M56-E60 HydrophobicContact CG-CB 3.88Å; M56-F61 HydrophobicContact CG-CB 4.11Å; M56-F61 HydrophobicContact SD-CB 4.1Å; M56-F61 HydrophobicContact SD-CD2 3.93Å; M56-M64 HydrophobicContact CE-SD 3.81Å; M56-M64 HydrophobicContact SD-CE 3.95Å; M56-M64 HydrophobicContact SD-SD 3.79Å
57	D	64.5	Low	64.9	Low	42 Å²	42	62.9 Å²	62.9	23%	0.225	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	174.5	174.6	76.3	39.1	0	0	0	112.5	T19 E59 E60 F61	T19-D57 HydrophobicContact CG2-CB 3.83Å; D57-E59 VanDerWaalsContact C-N 3.31Å; D57-E59 PolarHBondContact O-N 3.14Å; D57-E59 VanDerWaalsContact OD1-CA 3.28Å; D57-E59 WeakPolarHBondContact OD1-CA 3.01Å; D57-E59 VanDerWaalsContact OD1-CB 3.28Å; D57-E59 WeakPolarHBondContact OD1-CB 3.36Å; D57-E59 PolarHBondContact OD1-N 3.44Å; D57-E60 PolarHBondContact N-OE2 2.81Å; D57-E60 PolarHBondContact O-N 3.28Å; D57-E60 PolarHBondContact OD1-N 2.97Å; D57-F61 WeakPolarHBondContact O-CB 3.46Å; D57-F61 PolarHBondContact O-N 2.81Å
58	F	57	Low	63.7	Low	66 Å²	66	59.8 Å²	59.8	29%	0.289	31%	0.313	S	S	.	.	H	α-helix	trans	-58.4	-41	178.8	-174.7	-98.2	0	0	0	113.6	D5 V9 C62	D5-F58 VanDerWaalsContact C-CE2 3.44Å; D5-F58 VanDerWaalsContact CA-CZ 3.45Å; D5-F58 HydrophobicContact CB-CE1 3.78Å; D5-F58 HydrophobicContact CB-CE2 4.36Å; D5-F58 HydrophobicContact CB-CZ 3.34Å; D5-F58 WeakPolarHBondContact O-CE2 3.32Å; D5-F58 WeakPolarHBondContact O-CZ 3.44Å; V9-F58 HydrophobicContact CB-CD2 3.75Å; V9-F58 HydrophobicContact CB-CE2 4.43Å; V9-F58 HydrophobicContact CG2-CB 4.32Å; V9-F58 HydrophobicContact CG2-CD2 3.33Å; V9-F58 HydrophobicContact CG2-CE2 3.93Å; V9-F58 HydrophobicContact CG2-CG 4.31Å; F58-C62 WeakPolarHBondContact CE1-SG 3.2Å; F58-C62 WeakPolarHBondContact CZ-SG 3.25Å; F58-C62 VanDerWaalsContact O-CB 3.29Å; F58-C62 WeakPolarHBondContact O-CB 3.41Å; F58-C62 PolarHBondContact O-N 2.91Å
59	E	62.6	Low	62.6	Low	137 Å²	137	61.7 Å²	61.7	64%	0.64	32%	0.324	S	S	*	.	H	α-helix	trans	-67.4	-42.5	179.1	-170.5	176.2	161.2	0	0	110.4	D57 C62 R63	D57-E59 VanDerWaalsContact C-N 3.31Å; D57-E59 PolarHBondContact O-N 3.14Å; D57-E59 VanDerWaalsContact OD1-CA 3.28Å; D57-E59 WeakPolarHBondContact OD1-CA 3.01Å; D57-E59 VanDerWaalsContact OD1-CB 3.28Å; D57-E59 WeakPolarHBondContact OD1-CB 3.36Å; D57-E59 PolarHBondContact OD1-N 3.44Å; E59-C62 PolarHBondContact O-N 2.94Å; E59-R63 WeakPolarHBondContact O-CB 3.15Å; E59-R63 PolarHBondContact O-N 2.82Å
60	E	67.5	Low	61.3	Low	8 Å²	8	69.4 Å²	69.4	4%	0.037	36%	0.356	C	S	.	.	H	α-helix	trans	-64.7	-43.4	175.4	-68.2	174.6	144.5	0	0	112	F48 D49 L50 D51 M56 D57 R63 M64	F48-E60 WeakPolarHBondContact O-CG 3.39Å; D49-E60 WeakPolarHBondContact CA-OE1 3.29Å; L50-E60 PolarHBondContact N-OE1 3.33Å; D51-E60 PolarHBondContact N-OE1 2.94Å; M56-E60 WeakPolarHBondContact CA-OE2 3.31Å; M56-E60 HydrophobicContact CG-CB 3.88Å; D57-E60 PolarHBondContact N-OE2 2.81Å; D57-E60 PolarHBondContact O-N 3.28Å; D57-E60 PolarHBondContact OD1-N 2.97Å; E60-R63 CarbonylContact O-C 3.54Å; E60-R63 PolarHBondContact O-N 3.43Å; E60-R63 VanDerWaalsContact O-N 3.15Å; E60-M64 WeakPolarHBondContact O-CB 3.38Å; E60-M64 PolarHBondContact O-N 3.12Å
61	F	63.1	Low	60.3	Low	14 Å²	14	72.3 Å²	72.3	6%	0.061	37%	0.367	C	S	.	.	H	α-helix	trans	-63.4	-44.4	174	-178.3	-91.8	0	0	0	111.7	V8 V9 F12 I20 M56 D57 R63 M64 M65	V8-F61 HydrophobicContact CB-CE1 4.07Å; V8-F61 HydrophobicContact CG1-CD1 4.47Å; V8-F61 HydrophobicContact CG1-CE1 3.36Å; V8-F61 HydrophobicContact CG1-CZ 3.44Å; V8-F61 VanDerWaalsContact CG1-CZ 3.44Å; V9-F61 HydrophobicContact CG2-CB 4.14Å; V9-F61 HydrophobicContact CG2-CD1 4.05Å; V9-F61 HydrophobicContact CG2-CG 4.08Å; F12-F61 HydrophobicContact CE2-CZ 4.45Å; I20-F61 HydrophobicContact CD1-CD2 4.09Å; I20-F61 HydrophobicContact CD1-CE2 4.41Å; M56-F61 HydrophobicContact CG-CB 4.11Å; M56-F61 HydrophobicContact SD-CB 4.1Å; M56-F61 HydrophobicContact SD-CD2 3.93Å; D57-F61 WeakPolarHBondContact O-CB 3.46Å; D57-F61 PolarHBondContact O-N 2.81Å; F61-R63 VanDerWaalsContact C-N 3.26Å; F61-R63 PolarHBondContact O-N 3.39Å; F61-M64 HydrophobicContact CD2-CE 3.46Å; F61-M64 VanDerWaalsContact CD2-CE 3.46Å; F61-M64 HydrophobicContact CE2-CE 3.51Å; F61-M64 HydrophobicContact CG-CE 4.3Å; F61-M64 HydrophobicContact CZ-CE 4.37Å; F61-M64 WeakPolarHBondContact O-CB 3.45Å; F61-M64 PolarHBondContact O-N 3.32Å; F61-M65 HydrophobicContact CD1-CG 4.21Å; F61-M65 HydrophobicContact CE1-CE 3.65Å; F61-M65 HydrophobicContact CE1-CG 3.85Å; F61-M65 HydrophobicContact CE2-CE 4.13Å; F61-M65 HydrophobicContact CZ-CE 3.28Å; F61-M65 HydrophobicContact CZ-CG 4.26Å; F61-M65 WeakPolarHBondContact O-CB 3.36Å; F61-M65 WeakPolarHBondContact O-CG 3.09Å; F61-M65 PolarHBondContact O-N 3.1Å
62	C	54.6	Low	59	Low	14 Å²	14	70.9 Å²	70.9	10%	0.095	36%	0.362	C	S	.	.	H	α-helix	trans	-62.6	-35.7	172.6	-87	0	0	0	0	111.9	F58 E59 M65 K66	F58-C62 WeakPolarHBondContact CE1-SG 3.2Å; F58-C62 WeakPolarHBondContact CZ-SG 3.25Å; F58-C62 VanDerWaalsContact O-CB 3.29Å; F58-C62 WeakPolarHBondContact O-CB 3.41Å; F58-C62 PolarHBondContact O-N 2.91Å; E59-C62 PolarHBondContact O-N 2.94Å; C62-M65 PolarHBondContact O-N 3.31Å; C62-K66 VanDerWaalsContact O-CB 3.23Å; C62-K66 WeakPolarHBondContact O-CB 3.37Å; C62-K66 WeakPolarHBondContact O-CD 3.26Å; C62-K66 WeakPolarHBondContact O-CG 3.43Å; C62-K66 PolarHBondContact O-N 3.3Å
63	R	60.9	Low	58.1	Low	139 Å²	139	72 Å²	72	53%	0.525	35%	0.354	S	S	.	.	H	α-helix	trans	-74.2	-36.3	179.1	-158.5	174.1	179.8	163.6	-3.3	111	L50 E59 E60 F61 K66 S67	L50-R63 VanDerWaalsContact CD1-CD 3.49Å; L50-R63 VanDerWaalsContact CD1-CZ 3.41Å; E59-R63 WeakPolarHBondContact O-CB 3.15Å; E59-R63 PolarHBondContact O-N 2.82Å; E60-R63 CarbonylContact O-C 3.54Å; E60-R63 PolarHBondContact O-N 3.43Å; E60-R63 VanDerWaalsContact O-N 3.15Å; F61-R63 VanDerWaalsContact C-N 3.26Å; F61-R63 PolarHBondContact O-N 3.39Å; R63-K66 CarbonylContact O-C 3.57Å; R63-K66 PolarHBondContact O-N 3.01Å; R63-S67 WeakPolarHBondContact O-CA 3.32Å; R63-S67 WeakPolarHBondContact O-CB 3.3Å; R63-S67 PolarHBondContact O-N 2.89Å
64	M	62.8	Low	57.3	Low	14 Å²	14	74.1 Å²	74.1	7%	0.069	36%	0.362	C	S	.	.	H	α-helix	trans	-55.9	-55.7	166.5	-174.7	-170.4	64.1	0	0	109	I44 F48 M56 E60 F61 K66 S67 M68	I44-M64 HydrophobicContact CG2-SD 4.24Å; F48-M64 HydrophobicContact CB-CB 4.33Å; F48-M64 VanDerWaalsContact CD1-CA 3.49Å; F48-M64 HydrophobicContact CD1-CB 3.52Å; F48-M64 HydrophobicContact CD1-CG 3.75Å; F48-M64 HydrophobicContact CD2-CB 4.2Å; F48-M64 HydrophobicContact CD2-CG 3.62Å; F48-M64 HydrophobicContact CD2-SD 4.03Å; F48-M64 HydrophobicContact CE1-CB 3.85Å; F48-M64 HydrophobicContact CE1-CG 3.76Å; F48-M64 HydrophobicContact CE2-CB 4.49Å; F48-M64 HydrophobicContact CE2-CG 3.65Å; F48-M64 HydrophobicContact CE2-SD 4.31Å; F48-M64 HydrophobicContact CG-CB 3.74Å; F48-M64 HydrophobicContact CG-CG 3.71Å; F48-M64 HydrophobicContact CG-SD 4.41Å; F48-M64 HydrophobicContact CZ-CB 4.33Å; F48-M64 HydrophobicContact CZ-CG 3.71Å; M56-M64 HydrophobicContact CE-SD 3.81Å; M56-M64 HydrophobicContact SD-CE 3.95Å; M56-M64 HydrophobicContact SD-SD 3.79Å; E60-M64 WeakPolarHBondContact O-CB 3.38Å; E60-M64 PolarHBondContact O-N 3.12Å; F61-M64 HydrophobicContact CD2-CE 3.46Å; F61-M64 VanDerWaalsContact CD2-CE 3.46Å; F61-M64 HydrophobicContact CE2-CE 3.51Å; F61-M64 HydrophobicContact CG-CE 4.3Å; F61-M64 HydrophobicContact CZ-CE 4.37Å; F61-M64 WeakPolarHBondContact O-CB 3.45Å; F61-M64 PolarHBondContact O-N 3.32Å; M64-K66 VanDerWaalsContact C-N 3.31Å; M64-K66 PolarHBondContact O-N 3.47Å; M64-S67 PolarHBondContact O-N 3.38Å; M64-S67 VanDerWaalsContact O-N 3.14Å; M64-M68 HydrophobicContact CB-CE 4.31Å; M64-M68 HydrophobicContact CE-CE 3.53Å; M64-M68 HydrophobicContact CG-CE 3.53Å; M64-M68 WeakPolarHBondContact O-CB 3.24Å; M64-M68 WeakPolarHBondContact O-CG 3.49Å; M64-M68 PolarHBondContact O-N 3.49Å; M64-M68 HydrophobicContact SD-CE 3.98Å
65	M	50.2	Low	56.7	Low	87 Å²	87	79.2 Å²	79.2	43%	0.429	38%	0.377	S	S	.	.	H	α-helix	trans	-57.8	-38.1	176.4	-73.1	-78.9	-177.1	0	0	113.2	F61 C62 M68	F61-M65 HydrophobicContact CD1-CG 4.21Å; F61-M65 HydrophobicContact CE1-CE 3.65Å; F61-M65 HydrophobicContact CE1-CG 3.85Å; F61-M65 HydrophobicContact CE2-CE 4.13Å; F61-M65 HydrophobicContact CZ-CE 3.28Å; F61-M65 HydrophobicContact CZ-CG 4.26Å; F61-M65 WeakPolarHBondContact O-CB 3.36Å; F61-M65 WeakPolarHBondContact O-CG 3.09Å; F61-M65 PolarHBondContact O-N 3.1Å; C62-M65 PolarHBondContact O-N 3.31Å; M65-M68 HydrophobicContact CB-CE 4.43Å; M65-M68 HydrophobicContact CE-CE 4.28Å; M65-M68 HydrophobicContact CG-CE 3.97Å; M65-M68 HydrophobicContact SD-CE 3.73Å; M65-M68 HydrophobicContact SD-SD 4.29Å
66	K	50.3	Low	55.9	Low	140 Å²	140	77.6 Å²	77.6	61%	0.609	37%	0.372	S	S	*	.	H	α-helix	trans	-80.1	-24.1	178.4	-73.6	169.2	-174.1	171.1	0	113.7	C62 R63 M64 N69	C62-K66 VanDerWaalsContact O-CB 3.23Å; C62-K66 WeakPolarHBondContact O-CB 3.37Å; C62-K66 WeakPolarHBondContact O-CD 3.26Å; C62-K66 WeakPolarHBondContact O-CG 3.43Å; C62-K66 PolarHBondContact O-N 3.3Å; R63-K66 CarbonylContact O-C 3.57Å; R63-K66 PolarHBondContact O-N 3.01Å; M64-K66 VanDerWaalsContact C-N 3.31Å; M64-K66 PolarHBondContact O-N 3.47Å; K66-N69 WeakPolarHBondContact O-CB 3.4Å
67	S	49.8	Very low	55.5	Low	60 Å²	60	78 Å²	78	42%	0.42	38%	0.375	S	S	.	.	H	α-helix	trans	-84.8	-32.9	176.5	-159.6	0	0	0	0	110.6	R63 M64 N69 K70	R63-S67 WeakPolarHBondContact O-CA 3.32Å; R63-S67 WeakPolarHBondContact O-CB 3.3Å; R63-S67 PolarHBondContact O-N 2.89Å; M64-S67 PolarHBondContact O-N 3.38Å; M64-S67 VanDerWaalsContact O-N 3.14Å; S67-N69 PolarHBondContact O-N 3.19Å; S67-N69 VanDerWaalsContact O-N 3.09Å; S67-K70 PolarHBondContact O-N 2.88Å
68	M	45.9	Very low	55.5	Low	53 Å²	53	81.7 Å²	81.7	26%	0.261	39%	0.386	S	S	.	.	H	α-helix	trans	-50.3	-31.9	165.4	-74.7	-176.3	-127.8	0	0	111.5	M64 M65 K70 T72	M64-M68 HydrophobicContact CB-CE 4.31Å; M64-M68 HydrophobicContact CE-CE 3.53Å; M64-M68 HydrophobicContact CG-CE 3.53Å; M64-M68 WeakPolarHBondContact O-CB 3.24Å; M64-M68 WeakPolarHBondContact O-CG 3.49Å; M64-M68 PolarHBondContact O-N 3.49Å; M64-M68 HydrophobicContact SD-CE 3.98Å; M65-M68 HydrophobicContact CB-CE 4.43Å; M65-M68 HydrophobicContact CE-CE 4.28Å; M65-M68 HydrophobicContact CG-CE 3.97Å; M65-M68 HydrophobicContact SD-CE 3.73Å; M65-M68 HydrophobicContact SD-SD 4.29Å; M68-K70 VanDerWaalsContact C-N 3.3Å; M68-K70 PolarHBondContact O-N 2.74Å; M68-T72 WeakPolarHBondContact O-CG2 3.37Å
69	N	44.6	Very low	55.8	Low	63 Å²	63	80.7 Å²	80.7	34%	0.337	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-8.9	177.8	-97.2	0.5	0	0	0	116.4	K66 S67 I137 P139	K66-N69 WeakPolarHBondContact O-CB 3.4Å; S67-N69 PolarHBondContact O-N 3.19Å; S67-N69 VanDerWaalsContact O-N 3.09Å; N69-I137 PolarHBondContact OD1-O 2.92Å; N69-P139 HydrophobicContact CB-CG 3.83Å; N69-P139 VanDerWaalsContact ND2-CB 3.32Å; N69-P139 WeakPolarHBondContact ND2-CB 3.28Å; N69-P139 VanDerWaalsContact ND2-CG 3.29Å; N69-P139 WeakPolarHBondContact ND2-CG 3.17Å; N69-P139 WeakPolarHBondContact OD1-CD 3.47Å; N69-P139 WeakPolarHBondContact OD1-CG 3.16Å
70	K	46.4	Very low	56	Low	182 Å²	182	75.9 Å²	75.9	79%	0.791	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.7	-30.9	-175.9	-75.4	-173.4	174.8	179.4	0	114.3	S67 M68	S67-K70 PolarHBondContact O-N 2.88Å; M68-K70 VanDerWaalsContact C-N 3.3Å; M68-K70 PolarHBondContact O-N 2.74Å
71	E	47.3	Very low	56.2	Low	164 Å²	164	76 Å²	76	77%	0.766	37%	0.367	S	S	*	.	S	Bend	trans	-145.5	74.1	-179	-72.1	174.9	90.7	0	0	106.8	D73	E71-D73 PolarHBondContact O-N 2.94Å
72	T	48.9	Very low	56.5	Low	66 Å²	66	83.9 Å²	83.9	41%	0.405	40%	0.396	S	S	.	.			trans	-57.9	104.8	177.3	15.9	0	0	0	0	109.4	M68 Q74 V77	M68-T72 WeakPolarHBondContact O-CG2 3.37Å; T72-Q74 VanDerWaalsContact C-N 3.29Å; T72-Q74 PolarHBondContact O-N 3.05Å; T72-V77 HydrophobicContact CG2-CG2 3.3Å
73	D	55.9	Low	57.1	Low	83 Å²	83	83.6 Å²	83.6	44%	0.444	40%	0.395	S	S	.	.			trans	-51.7	102.4	153.9	-98.6	-71.2	0	0	0	106.6	E71 E75 L76 V77	E71-D73 PolarHBondContact O-N 2.94Å; D73-E75 PolarHBondContact O-N 3.33Å; D73-L76 HydrophobicContact CB-CB 4.47Å; D73-L76 HydrophobicContact CB-CD1 4.38Å; D73-L76 HydrophobicContact CB-CG 4.37Å; D73-L76 PolarHBondContact O-N 2.84Å; D73-V77 PolarHBondContact O-N 3.31Å
74	Q	57.2	Low	57.7	Low	113 Å²	113	78 Å²	78	53%	0.528	37%	0.374	S	S	.	.	H	α-helix	trans	-53.2	-24.2	178.8	-67.6	-159.9	-22.6	0	0	110.6	T72 R78	T72-Q74 VanDerWaalsContact C-N 3.29Å; T72-Q74 PolarHBondContact O-N 3.05Å; Q74-R78 WeakPolarHBondContact O-CB 3.3Å; Q74-R78 VanDerWaalsContact O-CD 3.23Å; Q74-R78 WeakPolarHBondContact O-CD 3.48Å; Q74-R78 WeakPolarHBondContact O-CG 3.03Å; Q74-R78 PolarHBondContact O-N 3.35Å
75	E	59.1	Low	58.5	Low	137 Å²	137	77.9 Å²	77.9	64%	0.64	37%	0.374	S	S	*	.	H	α-helix	trans	-65.8	-47.7	174.9	-59.3	-158.3	93	0	0	112.7	D73 V77 R78 L79	D73-E75 PolarHBondContact O-N 3.33Å; E75-V77 PolarHBondContact O-N 3.22Å; E75-R78 PolarHBondContact O-N 2.74Å; E75-L79 WeakPolarHBondContact O-CB 3.26Å; E75-L79 WeakPolarHBondContact O-CG 3.19Å; E75-L79 PolarHBondContact O-N 2.88Å
76	L	54.7	Low	59.6	Low	47 Å²	47	80 Å²	80	25%	0.246	38%	0.381	C	S	.	.	H	α-helix	trans	-67.3	-38.2	179.2	-72.9	175.4	0	0	0	112.4	I44 D73 L79 A80	I44-L76 HydrophobicContact CD1-CD2 4.4Å; D73-L76 HydrophobicContact CB-CB 4.47Å; D73-L76 HydrophobicContact CB-CD1 4.38Å; D73-L76 HydrophobicContact CB-CG 4.37Å; D73-L76 PolarHBondContact O-N 2.84Å; L76-L79 HydrophobicContact CD2-CD1 4.14Å; L76-L79 WeakPolarHBondContact O-CB 3.36Å; L76-L79 PolarHBondContact O-N 2.82Å; L76-A80 WeakPolarHBondContact O-CB 3.17Å; L76-A80 PolarHBondContact O-N 3.33Å
77	V	62.1	Low	61.1	Low	9 Å²	9	78.6 Å²	78.6	6%	0.055	38%	0.379	C	S	.	.	H	α-helix	trans	-66.7	-42.9	174.9	-178	0	0	0	0	111.3	T72 D73 E75 L79 A80 F81 Y130 F133 V134 I137	T72-V77 HydrophobicContact CG2-CG2 3.3Å; D73-V77 PolarHBondContact O-N 3.31Å; E75-V77 PolarHBondContact O-N 3.22Å; V77-L79 VanDerWaalsContact C-N 3.27Å; V77-L79 PolarHBondContact O-N 2.86Å; V77-A80 PolarHBondContact O-N 2.75Å; V77-F81 WeakPolarHBondContact O-CB 3.36Å; V77-F81 PolarHBondContact O-N 3.49Å; V77-Y130 HydrophobicContact CB-CE2 4.42Å; V77-Y130 HydrophobicContact CG1-CE2 3.82Å; V77-F133 HydrophobicContact CG1-CD1 4.01Å; V77-F133 HydrophobicContact CG1-CE1 4.25Å; V77-V134 HydrophobicContact CG1-CG2 3.57Å; V77-I137 HydrophobicContact CB-CD1 4Å; V77-I137 HydrophobicContact CG1-CD1 3.36Å; V77-I137 HydrophobicContact CG2-CD1 3.52Å
78	R	65.2	Low	62.5	Low	119 Å²	119	78.5 Å²	78.5	45%	0.449	39%	0.388	S	S	.	.	H	α-helix	trans	-62.2	-37.3	173.5	-74.9	168.3	-166.7	176.5	5.1	111.7	Q74 E75 F81 R82 Y130	Q74-R78 WeakPolarHBondContact O-CB 3.3Å; Q74-R78 VanDerWaalsContact O-CD 3.23Å; Q74-R78 WeakPolarHBondContact O-CD 3.48Å; Q74-R78 WeakPolarHBondContact O-CG 3.03Å; Q74-R78 PolarHBondContact O-N 3.35Å; E75-R78 PolarHBondContact O-N 2.74Å; R78-F81 PolarHBondContact O-N 3.32Å; R78-R82 WeakPolarHBondContact O-CB 3.39Å; R78-R82 VanDerWaalsContact O-CG 3.31Å; R78-R82 WeakPolarHBondContact O-CG 3.34Å; R78-R82 PolarHBondContact O-N 2.89Å; R78-Y130 HydrophobicContact CB-CE2 4.26Å; R78-Y130 HydrophobicContact CG-CD2 4.42Å; R78-Y130 HydrophobicContact CG-CE2 3.48Å; R78-Y130 VanDerWaalsContact CG-CE2 3.48Å
79	L	63.5	Low	64.5	Low	46 Å²	46	79.2 Å²	79.2	24%	0.241	39%	0.393	C	S	.	.	H	α-helix	trans	-64.5	-48.8	175.7	-75.1	167.2	0	0	0	110.4	L34 E75 L76 V77 F81 R82 V83	L34-L79 HydrophobicContact CD1-CB 4.33Å; L34-L79 HydrophobicContact CD1-CD2 4.43Å; L34-L79 HydrophobicContact CD2-CD2 3.9Å; E75-L79 WeakPolarHBondContact O-CB 3.26Å; E75-L79 WeakPolarHBondContact O-CG 3.19Å; E75-L79 PolarHBondContact O-N 2.88Å; L76-L79 HydrophobicContact CD2-CD1 4.14Å; L76-L79 WeakPolarHBondContact O-CB 3.36Å; L76-L79 PolarHBondContact O-N 2.82Å; V77-L79 VanDerWaalsContact C-N 3.27Å; V77-L79 PolarHBondContact O-N 2.86Å; L79-F81 VanDerWaalsContact C-N 3.35Å; L79-F81 PolarHBondContact O-N 2.81Å; L79-R82 PolarHBondContact O-N 2.83Å; L79-V83 VanDerWaalsContact O-CG2 3.26Å; L79-V83 WeakPolarHBondContact O-CG2 3.4Å; L79-V83 PolarHBondContact O-N 2.96Å; L79-V83 VanDerWaalsContact O-N 3.12Å
80	A	67.1	Low	66.4	Low	36 Å²	36	77.7 Å²	77.7	30%	0.298	39%	0.392	S	S	.	.	H	α-helix	trans	-59.6	-44.5	175.2	0	0	0	0	0	111.4	L76 V77 R82 V83 F84 F133	L76-A80 WeakPolarHBondContact O-CB 3.17Å; L76-A80 PolarHBondContact O-N 3.33Å; V77-A80 PolarHBondContact O-N 2.75Å; A80-R82 PolarHBondContact O-N 3.23Å; A80-V83 VanDerWaalsContact O-CB 3.29Å; A80-V83 WeakPolarHBondContact O-CB 3.18Å; A80-V83 PolarHBondContact O-N 2.87Å; A80-V83 VanDerWaalsContact O-N 3.16Å; A80-F84 WeakPolarHBondContact O-CD2 3.38Å; A80-F84 PolarHBondContact O-N 3.41Å; A80-F133 HydrophobicContact CB-CE1 3.77Å; A80-F133 HydrophobicContact CB-CZ 3.84Å
81	F	71.3	Confident	68.4	Low	11 Å²	11	73.5 Å²	73.5	5%	0.048	37%	0.372	C	S	.	.	H	α-helix	trans	-58.6	-47.9	177.1	-170	-90.8	0	0	0	112.4	V77 R78 L79 V83 F84 D85 G90 I92 I128 N129 Y130 F133	V77-F81 WeakPolarHBondContact O-CB 3.36Å; V77-F81 PolarHBondContact O-N 3.49Å; R78-F81 PolarHBondContact O-N 3.32Å; L79-F81 VanDerWaalsContact C-N 3.35Å; L79-F81 PolarHBondContact O-N 2.81Å; F81-V83 PolarHBondContact O-N 2.86Å; F81-F84 PolarHBondContact O-N 3.06Å; F81-F84 VanDerWaalsContact O-N 3.09Å; F81-D85 HydrophobicContact CD1-CB 4.09Å; F81-D85 HydrophobicContact CE1-CB 3.79Å; F81-D85 WeakPolarHBondContact O-CB 3.25Å; F81-D85 PolarHBondContact O-N 3.35Å; F81-G90 WeakPolarHBondContact CE1-O 3.04Å; F81-G90 VanDerWaalsContact CZ-C 3.48Å; F81-G90 WeakPolarHBondContact CZ-O 3.5Å; F81-I92 HydrophobicContact CD2-CD1 3.58Å; F81-I92 HydrophobicContact CD2-CG1 4.17Å; F81-I92 HydrophobicContact CE1-CG1 4.48Å; F81-I92 HydrophobicContact CE2-CD1 3.49Å; F81-I92 VanDerWaalsContact CE2-CD1 3.49Å; F81-I92 HydrophobicContact CE2-CG1 3.7Å; F81-I92 HydrophobicContact CG-CD1 4.33Å; F81-I92 HydrophobicContact CZ-CD1 4.18Å; F81-I92 HydrophobicContact CZ-CG1 3.88Å; F81-I128 WeakPolarHBondContact CE2-O 3.28Å; F81-N129 VanDerWaalsContact CE2-C 3.42Å; F81-Y130 HydrophobicContact CB-CD2 4.02Å; F81-Y130 HydrophobicContact CB-CE2 4.45Å; F81-Y130 HydrophobicContact CD1-CD2 4.45Å; F81-Y130 HydrophobicContact CD2-CD2 4.18Å; F81-Y130 AromaticContact CG-CD2 3.94Å; F81-Y130 HydrophobicContact CG-CD2 3.94Å; F81-F133 HydrophobicContact CB-CD1 4.26Å; F81-F133 HydrophobicContact CB-CE1 4.5Å; F81-F133 HydrophobicContact CD2-CB 3.56Å; F81-F133 HydrophobicContact CD2-CD1 4.05Å; F81-F133 HydrophobicContact CD2-CD2 4.27Å; F81-F133 AromaticContact CD2-CG 3.71Å; F81-F133 HydrophobicContact CD2-CG 3.71Å; F81-F133 HydrophobicContact CE2-CB 3.9Å; F81-F133 HydrophobicContact CE2-CG 4.41Å
82	R	69.6	Low	70.1	Confident	178 Å²	178	65.7 Å²	65.7	67%	0.672	34%	0.335	S	S	*	.	H	α-helix	trans	-63.5	-23.1	177.9	-78	-179.8	177	-179.6	0.6	114.5	R78 L79 A80 F84	R78-R82 WeakPolarHBondContact O-CB 3.39Å; R78-R82 VanDerWaalsContact O-CG 3.31Å; R78-R82 WeakPolarHBondContact O-CG 3.34Å; R78-R82 PolarHBondContact O-N 2.89Å; L79-R82 PolarHBondContact O-N 2.83Å; A80-R82 PolarHBondContact O-N 3.23Å; R82-F84 VanDerWaalsContact C-N 3.33Å
83	V	66.7	Low	71.9	Confident	9 Å²	9	64.2 Å²	64.2	6%	0.055	33%	0.327	C	S	.	.	H	α-helix	trans	-69.7	-37.8	175.7	156.8	0	0	0	0	110.7	L32 L34 L79 A80 F81 F100	L32-V83 HydrophobicContact CB-CB 4.4Å; L32-V83 HydrophobicContact CB-CG1 3.71Å; L32-V83 HydrophobicContact CB-CG2 3.79Å; L32-V83 HydrophobicContact CD2-CG1 4.06Å; L32-V83 HydrophobicContact CG-CG1 4.4Å; L32-V83 VanDerWaalsContact O-CG1 3.3Å; L32-V83 WeakPolarHBondContact O-CG1 3.08Å; L32-V83 WeakPolarHBondContact O-CG2 3.32Å; L34-V83 HydrophobicContact CD1-CG2 3.7Å; L34-V83 HydrophobicContact CD2-CG2 3.62Å; L34-V83 HydrophobicContact CG-CG2 3.44Å; L34-V83 VanDerWaalsContact CG-CG2 3.44Å; L79-V83 VanDerWaalsContact O-CG2 3.26Å; L79-V83 WeakPolarHBondContact O-CG2 3.4Å; L79-V83 PolarHBondContact O-N 2.96Å; L79-V83 VanDerWaalsContact O-N 3.12Å; A80-V83 VanDerWaalsContact O-CB 3.29Å; A80-V83 WeakPolarHBondContact O-CB 3.18Å; A80-V83 PolarHBondContact O-N 2.87Å; A80-V83 VanDerWaalsContact O-N 3.16Å; F81-V83 PolarHBondContact O-N 2.86Å; V83-F100 HydrophobicContact CG1-CD2 3.56Å; V83-F100 HydrophobicContact CG1-CE2 3.02Å; V83-F100 HydrophobicContact CG1-CZ 3.79Å
84	F	72.5	Confident	73.3	Confident	20 Å²	20	61.8 Å²	61.8	9%	0.088	32%	0.318	C	S	.	.	H	α-helix	trans	-80	-48.7	176.5	-73.6	-87.5	0	0	0	111.5	A80 F81 R82 K86 I92 E96 F97 F100 F133	A80-F84 WeakPolarHBondContact O-CD2 3.38Å; A80-F84 PolarHBondContact O-N 3.41Å; F81-F84 PolarHBondContact O-N 3.06Å; F81-F84 VanDerWaalsContact O-N 3.09Å; R82-F84 VanDerWaalsContact C-N 3.33Å; F84-K86 PolarHBondContact O-N 3.33Å; F84-I92 HydrophobicContact CB-CB 4.23Å; F84-I92 HydrophobicContact CB-CD1 3.37Å; F84-I92 HydrophobicContact CB-CG1 3.49Å; F84-I92 VanDerWaalsContact CB-CG1 3.49Å; F84-I92 HydrophobicContact CB-CG2 3.72Å; F84-I92 HydrophobicContact CD1-CG2 4.27Å; F84-I92 HydrophobicContact CD2-CD1 4.23Å; F84-I92 HydrophobicContact CG-CD1 3.92Å; F84-I92 HydrophobicContact CG-CG1 4.49Å; F84-I92 HydrophobicContact CG-CG2 4.34Å; F84-E96 WeakPolarHBondContact O-CB 3.25Å; F84-F97 AromaticContact CD1-CD2 3.88Å; F84-F97 HydrophobicContact CD1-CD2 3.88Å; F84-F97 HydrophobicContact CD1-CE2 4.45Å; F84-F97 AromaticContact CE1-CD2 3.57Å; F84-F97 HydrophobicContact CE1-CD2 3.57Å; F84-F97 AromaticContact CE1-CE2 3.73Å; F84-F97 HydrophobicContact CE1-CE2 3.73Å; F84-F97 HydrophobicContact CE1-CG 4.41Å; F84-F97 HydrophobicContact CZ-CD2 4.49Å; F84-F97 HydrophobicContact CZ-CE2 4.28Å; F84-F100 HydrophobicContact CD1-CB 3.64Å; F84-F100 AromaticContact CD1-CD1 3.62Å; F84-F100 HydrophobicContact CD1-CD1 3.62Å; F84-F100 HydrophobicContact CD1-CD2 4.28Å; F84-F100 HydrophobicContact CD1-CE1 4.33Å; F84-F100 AromaticContact CD1-CG 3.54Å; F84-F100 HydrophobicContact CD1-CG 3.54Å; F84-F100 HydrophobicContact CE1-CB 3.82Å; F84-F100 AromaticContact CE1-CD1 2.95Å; F84-F100 HydrophobicContact CE1-CD1 2.95Å; F84-F100 HydrophobicContact CE1-CD2 4.36Å; F84-F100 AromaticContact CE1-CE1 3.51Å; F84-F100 HydrophobicContact CE1-CE1 3.51Å; F84-F100 AromaticContact CE1-CG 3.43Å; F84-F100 HydrophobicContact CE1-CG 3.43Å; F84-F100 VanDerWaalsContact CE1-CG 3.43Å; F84-F100 HydrophobicContact CE1-CZ 4.4Å; F84-F100 HydrophobicContact CE2-CD1 4.18Å; F84-F100 AromaticContact CE2-CE1 3.93Å; F84-F100 HydrophobicContact CE2-CE1 3.93Å; F84-F100 HydrophobicContact CE2-CZ 4.27Å; F84-F100 HydrophobicContact CG-CD1 4.47Å; F84-F100 HydrophobicContact CG-CG 4.27Å; F84-F100 AromaticContact CZ-CD1 3.27Å; F84-F100 HydrophobicContact CZ-CD1 3.27Å; F84-F100 AromaticContact CZ-CE1 3.23Å; F84-F100 HydrophobicContact CZ-CE1 3.23Å; F84-F100 HydrophobicContact CZ-CG 4Å; F84-F100 HydrophobicContact CZ-CZ 4Å; F84-F133 AromaticContact CD2-CE2 3.66Å; F84-F133 HydrophobicContact CD2-CE2 3.66Å; F84-F133 AromaticContact CD2-CZ 3.96Å; F84-F133 HydrophobicContact CD2-CZ 3.96Å; F84-F133 AromaticContact CE2-CE2 3.61Å; F84-F133 HydrophobicContact CE2-CE2 3.61Å; F84-F133 AromaticContact CE2-CZ 3.8Å; F84-F133 HydrophobicContact CE2-CZ 3.8Å; F84-F133 HydrophobicContact CZ-CE2 4.38Å
85	D	79.6	Confident	74.6	Confident	12 Å²	12	64.2 Å²	64.2	6%	0.064	33%	0.329	C	S	.	.			trans	-71.3	85.6	178.9	175.8	13.9	0	0	0	110.8	F81 G88 N89 G90 I92	F81-D85 HydrophobicContact CD1-CB 4.09Å; F81-D85 HydrophobicContact CE1-CB 3.79Å; F81-D85 WeakPolarHBondContact O-CB 3.25Å; F81-D85 PolarHBondContact O-N 3.35Å; D85-G88 PolarHBondContact O-N 3.19Å; D85-G88 WeakPolarHBondContact OD1-CA 3.33Å; D85-G88 PolarHBondContact OD1-N 3.41Å; D85-G88 WeakPolarHBondContact OD2-CA 3.35Å; D85-N89 PolarHBondContact OD1-N 2.71Å; D85-N89 PolarHBondContact OD2-N 3.28Å; D85-G90 WeakPolarHBondContact OD2-CA 3.45Å; D85-G90 PolarHBondContact OD2-N 2.81Å; D85-I92 HydrophobicContact CB-CG1 4.29Å
86	K	73.7	Confident	75.8	Confident	133 Å²	133	58.7 Å²	58.7	58%	0.578	30%	0.303	S	S	*	.	S	Bend	trans	-74.5	-33	-171.7	-79.2	-148.5	168.4	-170.5	0	112.6	F84 E96 H99	F84-K86 PolarHBondContact O-N 3.33Å; K86-E96 HydrophobicContact CB-CG 4.38Å; K86-E96 PolarHBondContact N-OE1 2.86Å; K86-H99 VanDerWaalsContact CE-CD2 3.49Å; K86-H99 WeakPolarHBondContact CE-CD2 3.42Å; K86-H99 PolarHBondContact NZ-CD2 3.24Å; K86-H99 PolarHBondContact NZ-NE2 3.11Å
87	D	81.4	Confident	77	Confident	109 Å²	109	57 Å²	57	58%	0.583	29%	0.294	S	S	*	.	S	Bend	trans	-86.6	-11.9	178	73.1	-2.5	0	0	0	112.6	N89 E96	D87-N89 VanDerWaalsContact C-N 3.32Å; D87-N89 VanDerWaalsContact CG-ND2 3.28Å; D87-N89 WeakPolarHBondContact OD1-CB 3.48Å; D87-N89 PolarHBondContact OD1-N 3.25Å; D87-N89 PolarHBondContact OD1-ND2 2.77Å; D87-N89 PolarHBondContact OD1-OD1 3.19Å; D87-N89 PolarHBondContact OD2-ND2 3.47Å; D87-E96 PolarHBondContact N-OE1 3.36Å
88	G	80.8	Confident	77.7	Confident	58 Å²	58	59.6 Å²	59.6	60%	0.598	31%	0.305	S	S	*	.			trans	74.1	25	176.6	0	0	0	0	0	112.4	D85 G90	D85-G88 PolarHBondContact O-N 3.19Å; D85-G88 WeakPolarHBondContact OD1-CA 3.33Å; D85-G88 PolarHBondContact OD1-N 3.41Å; D85-G88 WeakPolarHBondContact OD2-CA 3.35Å; G88-G90 VanDerWaalsContact C-N 3.27Å
89	N	86.2	Confident	78.3	Confident	68 Å²	68	58.2 Å²	58.2	36%	0.364	30%	0.303	S	S	.	.	S	Bend	trans	-80.6	-8.6	-176.3	73.2	21.7	0	0	0	113	D85 D87 Y91	D85-N89 PolarHBondContact OD1-N 2.71Å; D85-N89 PolarHBondContact OD2-N 3.28Å; D87-N89 VanDerWaalsContact C-N 3.32Å; D87-N89 VanDerWaalsContact CG-ND2 3.28Å; D87-N89 WeakPolarHBondContact OD1-CB 3.48Å; D87-N89 PolarHBondContact OD1-N 3.25Å; D87-N89 PolarHBondContact OD1-ND2 2.77Å; D87-N89 PolarHBondContact OD1-OD1 3.19Å; D87-N89 PolarHBondContact OD2-ND2 3.47Å; N89-Y91 WeakPolarHBondContact O-CD2 3.29Å; N89-Y91 WeakPolarHBondContact OD1-CA 3.2Å; N89-Y91 VanDerWaalsContact OD1-CB 3.26Å; N89-Y91 WeakPolarHBondContact OD1-CB 3.35Å; N89-Y91 PolarHBondContact OD1-N 3.35Å; N89-Y91 PolarHBondContact OD1-O 2.81Å; N89-Y91 VanDerWaalsContact OD1-O 3.1Å
90	G	84.8	Confident	78.6	Confident	31 Å²	31	57.1 Å²	57.1	32%	0.32	30%	0.296	S	S	.	.	S	Bend	trans	92.8	8.6	-178	0	0	0	0	0	114.9	F81 D85 G88	F81-G90 WeakPolarHBondContact CE1-O 3.04Å; F81-G90 VanDerWaalsContact CZ-C 3.48Å; F81-G90 WeakPolarHBondContact CZ-O 3.5Å; D85-G90 WeakPolarHBondContact OD2-CA 3.45Å; D85-G90 PolarHBondContact OD2-N 2.81Å; G88-G90 VanDerWaalsContact C-N 3.27Å
91	Y	88	Confident	78.6	Confident	94 Å²	94	56.7 Å²	56.7	37%	0.369	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	142.4	-177.1	-58.9	-93.7	0	0	0	110	N89 Q127 N129	N89-Y91 WeakPolarHBondContact O-CD2 3.29Å; N89-Y91 WeakPolarHBondContact OD1-CA 3.2Å; N89-Y91 VanDerWaalsContact OD1-CB 3.26Å; N89-Y91 WeakPolarHBondContact OD1-CB 3.35Å; N89-Y91 PolarHBondContact OD1-N 3.35Å; N89-Y91 PolarHBondContact OD1-O 2.81Å; N89-Y91 VanDerWaalsContact OD1-O 3.1Å; Y91-Q127 HydrophobicContact CD1-CB 4.23Å; Y91-N129 HydrophobicContact CD1-CB 4Å; Y91-N129 HydrophobicContact CE1-CB 4.01Å
92	I	84.6	Confident	78.5	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	110.7	172.8	-57.1	162.8	0	0	0	107.5	F81 F84 D85 E96 F97 I128 F133	F81-I92 HydrophobicContact CD2-CD1 3.58Å; F81-I92 HydrophobicContact CD2-CG1 4.17Å; F81-I92 HydrophobicContact CE1-CG1 4.48Å; F81-I92 HydrophobicContact CE2-CD1 3.49Å; F81-I92 VanDerWaalsContact CE2-CD1 3.49Å; F81-I92 HydrophobicContact CE2-CG1 3.7Å; F81-I92 HydrophobicContact CG-CD1 4.33Å; F81-I92 HydrophobicContact CZ-CD1 4.18Å; F81-I92 HydrophobicContact CZ-CG1 3.88Å; F84-I92 HydrophobicContact CB-CB 4.23Å; F84-I92 HydrophobicContact CB-CD1 3.37Å; F84-I92 HydrophobicContact CB-CG1 3.49Å; F84-I92 VanDerWaalsContact CB-CG1 3.49Å; F84-I92 HydrophobicContact CB-CG2 3.72Å; F84-I92 HydrophobicContact CD1-CG2 4.27Å; F84-I92 HydrophobicContact CD2-CD1 4.23Å; F84-I92 HydrophobicContact CG-CD1 3.92Å; F84-I92 HydrophobicContact CG-CG1 4.49Å; F84-I92 HydrophobicContact CG-CG2 4.34Å; D85-I92 HydrophobicContact CB-CG1 4.29Å; I92-E96 HydrophobicContact CG2-CB 4.16Å; I92-F97 HydrophobicContact CG2-CB 4.02Å; I92-F97 HydrophobicContact CG2-CD2 4.46Å; I92-I128 HydrophobicContact CB-CB 4.18Å; I92-I128 PolarHBondContact N-O 2.75Å; I92-I128 PolarHBondContact O-N 3.15Å; I92-F133 HydrophobicContact CD1-CD2 3.55Å; I92-F133 HydrophobicContact CD1-CE2 4Å; I92-F133 HydrophobicContact CD1-CG 4.24Å
93	T	86.7	Confident	78.2	Confident	36 Å²	36	54.8 Å²	54.8	22%	0.221	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	160.6	174.8	61.8	0	0	0	0	111.6	Q95 E96 F97 Q127	T93-Q95 PolarHBondContact O-N 3.18Å; T93-Q95 VanDerWaalsContact O-N 3.16Å; T93-E96 WeakPolarHBondContact CB-OE2 3.32Å; T93-E96 WeakPolarHBondContact CG2-OE2 3.42Å; T93-E96 PolarHBondContact N-OE2 3.31Å; T93-E96 PolarHBondContact O-N 2.73Å; T93-E96 VanDerWaalsContact O-N 3.07Å; T93-E96 WeakPolarHBondContact OG1-CB 3.32Å; T93-E96 VanDerWaalsContact OG1-CG 3.32Å; T93-E96 WeakPolarHBondContact OG1-CG 3.28Å; T93-E96 PolarHBondContact OG1-N 3.34Å; T93-E96 PolarHBondContact OG1-OE2 3.4Å; T93-F97 PolarHBondContact O-N 3.25Å; T93-Q127 HydrophobicContact CG2-CG 4.32Å
94	A	84.8	Confident	77.7	Confident	31 Å²	31	56.3 Å²	56.3	26%	0.256	31%	0.305	S	S	.	.	H	α-helix	trans	-53.9	-36	171.7	0	0	0	0	0	113.6	K98 V113 I117	A94-K98 WeakPolarHBondContact O-CB 3.37Å; A94-K98 PolarHBondContact O-N 3.03Å; A94-V113 HydrophobicContact CB-CG1 4.31Å; A94-I117 HydrophobicContact CB-CD1 3.19Å
95	Q	85.1	Confident	77	Confident	164 Å²	164	58.4 Å²	58.4	77%	0.766	33%	0.332	S	S	*	.	H	α-helix	trans	-69.4	-40.7	178.7	-64.7	-176.5	11.4	0	0	111.7	T93 H99	T93-Q95 PolarHBondContact O-N 3.18Å; T93-Q95 VanDerWaalsContact O-N 3.16Å; Q95-H99 WeakPolarHBondContact O-CB 3.23Å; Q95-H99 PolarHBondContact O-N 2.99Å
96	E	83.2	Confident	76.2	Confident	21 Å²	21	60.2 Å²	60.2	10%	0.098	34%	0.34	C	S	.	.	H	α-helix	trans	-66.8	-45.6	175.9	-79.2	167.9	134.2	0	0	111.8	F84 K86 D87 I92 T93 H99 F100	F84-E96 WeakPolarHBondContact O-CB 3.25Å; K86-E96 HydrophobicContact CB-CG 4.38Å; K86-E96 PolarHBondContact N-OE1 2.86Å; D87-E96 PolarHBondContact N-OE1 3.36Å; I92-E96 HydrophobicContact CG2-CB 4.16Å; T93-E96 WeakPolarHBondContact CB-OE2 3.32Å; T93-E96 WeakPolarHBondContact CG2-OE2 3.42Å; T93-E96 PolarHBondContact N-OE2 3.31Å; T93-E96 PolarHBondContact O-N 2.73Å; T93-E96 VanDerWaalsContact O-N 3.07Å; T93-E96 WeakPolarHBondContact OG1-CB 3.32Å; T93-E96 VanDerWaalsContact OG1-CG 3.32Å; T93-E96 WeakPolarHBondContact OG1-CG 3.28Å; T93-E96 PolarHBondContact OG1-N 3.34Å; T93-E96 PolarHBondContact OG1-OE2 3.4Å; E96-H99 PolarHBondContact O-N 3.09Å; E96-F100 VanDerWaalsContact O-CB 3.25Å; E96-F100 WeakPolarHBondContact O-CB 3.35Å; E96-F100 PolarHBondContact O-N 3.03Å
97	F	80.2	Confident	75.7	Confident	11 Å²	11	63 Å²	63	5%	0.048	35%	0.353	C	S	.	.	H	α-helix	trans	-57.8	-52.2	174.1	-168.3	-91.3	0	0	0	111	F84 I92 T93 H99 F100 M101 V113 I116	F84-F97 AromaticContact CD1-CD2 3.88Å; F84-F97 HydrophobicContact CD1-CD2 3.88Å; F84-F97 HydrophobicContact CD1-CE2 4.45Å; F84-F97 AromaticContact CE1-CD2 3.57Å; F84-F97 HydrophobicContact CE1-CD2 3.57Å; F84-F97 AromaticContact CE1-CE2 3.73Å; F84-F97 HydrophobicContact CE1-CE2 3.73Å; F84-F97 HydrophobicContact CE1-CG 4.41Å; F84-F97 HydrophobicContact CZ-CD2 4.49Å; F84-F97 HydrophobicContact CZ-CE2 4.28Å; I92-F97 HydrophobicContact CG2-CB 4.02Å; I92-F97 HydrophobicContact CG2-CD2 4.46Å; T93-F97 PolarHBondContact O-N 3.25Å; F97-H99 VanDerWaalsContact C-N 3.34Å; F97-H99 PolarHBondContact O-N 3.36Å; F97-F100 WeakPolarHBondContact O-CB 3.33Å; F97-F100 PolarHBondContact O-N 3.04Å; F97-M101 HydrophobicContact CD1-CG 3.9Å; F97-M101 HydrophobicContact CE1-CG 3.63Å; F97-M101 HydrophobicContact CE1-SD 4.18Å; F97-M101 HydrophobicContact CZ-CG 4.16Å; F97-M101 HydrophobicContact CZ-SD 4.11Å; F97-M101 VanDerWaalsContact O-CG 3.3Å; F97-M101 WeakPolarHBondContact O-CG 3.35Å; F97-M101 PolarHBondContact O-N 2.85Å; F97-V113 HydrophobicContact CD1-CG1 3.94Å; F97-V113 HydrophobicContact CD1-CG2 4.32Å; F97-I116 HydrophobicContact CE1-CD1 3.97Å; F97-I116 HydrophobicContact CE1-CG2 4.16Å; F97-I116 HydrophobicContact CZ-CD1 4.3Å; F97-I116 HydrophobicContact CZ-CG2 3.91Å
98	K	77.7	Confident	75	Confident	65 Å²	65	60.2 Å²	60.2	28%	0.283	34%	0.335	S	S	.	.	H	α-helix	trans	-59.2	-43.5	177.2	-178.1	174.9	174.6	-178	0	112.4	A94 F100 M101 T102 E110 V113	A94-K98 WeakPolarHBondContact O-CB 3.37Å; A94-K98 PolarHBondContact O-N 3.03Å; K98-F100 VanDerWaalsContact C-N 3.31Å; K98-M101 PolarHBondContact O-N 3.39Å; K98-T102 WeakPolarHBondContact O-CB 3.34Å; K98-T102 PolarHBondContact O-N 3.34Å; K98-T102 PolarHBondContact O-OG1 3.31Å; K98-E110 HydrophobicContact CD-CG 4.42Å; K98-E110 VanDerWaalsContact NZ-CD 3.27Å; K98-E110 IonicContact NZ-OE1 3.61Å; K98-E110 PolarHBondContact NZ-OE1 2.92Å; K98-V113 HydrophobicContact CB-CG1 4.36Å; K98-V113 HydrophobicContact CB-CG2 4.09Å; K98-V113 HydrophobicContact CG-CG2 4.34Å
99	H	76.1	Confident	74.8	Confident	89 Å²	89	60.7 Å²	60.7	41%	0.412	33%	0.326	S	S	.	.	H	α-helix	trans	-63.7	-41.4	179	-180	79.7	0	0	0	111	K86 Q95 E96 F97 T102 T103	K86-H99 VanDerWaalsContact CE-CD2 3.49Å; K86-H99 WeakPolarHBondContact CE-CD2 3.42Å; K86-H99 PolarHBondContact NZ-CD2 3.24Å; K86-H99 PolarHBondContact NZ-NE2 3.11Å; Q95-H99 WeakPolarHBondContact O-CB 3.23Å; Q95-H99 PolarHBondContact O-N 2.99Å; E96-H99 PolarHBondContact O-N 3.09Å; F97-H99 VanDerWaalsContact C-N 3.34Å; F97-H99 PolarHBondContact O-N 3.36Å; H99-T102 PolarHBondContact O-N 2.81Å; H99-T103 WeakPolarHBondContact O-CB 3.42Å; H99-T103 PolarHBondContact O-N 2.87Å; H99-T103 PolarHBondContact O-OG1 3.1Å
100	F	70.4	Confident	74.4	Confident	24 Å²	24	63 Å²	63	11%	0.105	34%	0.335	C	S	.	.	H	α-helix	trans	-62	-51.2	174.9	179.6	-93.2	0	0	0	111.5	L32 V83 F84 E96 F97 K98 T102 T103 M104	L32-F100 HydrophobicContact CD2-CE2 3.21Å; L32-F100 HydrophobicContact CD2-CZ 3.25Å; L32-F100 HydrophobicContact CG-CE2 4.43Å; V83-F100 HydrophobicContact CG1-CD2 3.56Å; V83-F100 HydrophobicContact CG1-CE2 3.02Å; V83-F100 HydrophobicContact CG1-CZ 3.79Å; F84-F100 HydrophobicContact CD1-CB 3.64Å; F84-F100 AromaticContact CD1-CD1 3.62Å; F84-F100 HydrophobicContact CD1-CD1 3.62Å; F84-F100 HydrophobicContact CD1-CD2 4.28Å; F84-F100 HydrophobicContact CD1-CE1 4.33Å; F84-F100 AromaticContact CD1-CG 3.54Å; F84-F100 HydrophobicContact CD1-CG 3.54Å; F84-F100 HydrophobicContact CE1-CB 3.82Å; F84-F100 AromaticContact CE1-CD1 2.95Å; F84-F100 HydrophobicContact CE1-CD1 2.95Å; F84-F100 HydrophobicContact CE1-CD2 4.36Å; F84-F100 AromaticContact CE1-CE1 3.51Å; F84-F100 HydrophobicContact CE1-CE1 3.51Å; F84-F100 AromaticContact CE1-CG 3.43Å; F84-F100 HydrophobicContact CE1-CG 3.43Å; F84-F100 VanDerWaalsContact CE1-CG 3.43Å; F84-F100 HydrophobicContact CE1-CZ 4.4Å; F84-F100 HydrophobicContact CE2-CD1 4.18Å; F84-F100 AromaticContact CE2-CE1 3.93Å; F84-F100 HydrophobicContact CE2-CE1 3.93Å; F84-F100 HydrophobicContact CE2-CZ 4.27Å; F84-F100 HydrophobicContact CG-CD1 4.47Å; F84-F100 HydrophobicContact CG-CG 4.27Å; F84-F100 AromaticContact CZ-CD1 3.27Å; F84-F100 HydrophobicContact CZ-CD1 3.27Å; F84-F100 AromaticContact CZ-CE1 3.23Å; F84-F100 HydrophobicContact CZ-CE1 3.23Å; F84-F100 HydrophobicContact CZ-CG 4Å; F84-F100 HydrophobicContact CZ-CZ 4Å; E96-F100 VanDerWaalsContact O-CB 3.25Å; E96-F100 WeakPolarHBondContact O-CB 3.35Å; E96-F100 PolarHBondContact O-N 3.03Å; F97-F100 WeakPolarHBondContact O-CB 3.33Å; F97-F100 PolarHBondContact O-N 3.04Å; K98-F100 VanDerWaalsContact C-N 3.31Å; F100-T102 VanDerWaalsContact C-N 3.29Å; F100-T102 PolarHBondContact O-N 2.91Å; F100-T103 CarbonylContact O-C 3.49Å; F100-T103 WeakPolarHBondContact O-CA 3.35Å; F100-T103 WeakPolarHBondContact O-CB 3.11Å; F100-T103 PolarHBondContact O-N 3.46Å; F100-M104 HydrophobicContact CD1-CG 4.05Å; F100-M104 HydrophobicContact CE1-CG 3.59Å; F100-M104 HydrophobicContact CE1-SD 4.42Å; F100-M104 HydrophobicContact CE2-CG 4.17Å; F100-M104 HydrophobicContact CE2-SD 4.48Å; F100-M104 HydrophobicContact CZ-CG 3.67Å; F100-M104 HydrophobicContact CZ-SD 3.98Å; F100-M104 WeakPolarHBondContact O-CG 3.46Å; F100-M104 PolarHBondContact O-N 2.83Å
101	M	66.7	Low	74.1	Confident	26 Å²	26	67.3 Å²	67.3	13%	0.128	35%	0.347	C	S	.	.	H	α-helix	trans	-59.3	-41.5	178.1	-63.1	-52.9	-76	0	0	111.6	F97 K98 T103 M104 G105 E106 F108	F97-M101 HydrophobicContact CD1-CG 3.9Å; F97-M101 HydrophobicContact CE1-CG 3.63Å; F97-M101 HydrophobicContact CE1-SD 4.18Å; F97-M101 HydrophobicContact CZ-CG 4.16Å; F97-M101 HydrophobicContact CZ-SD 4.11Å; F97-M101 VanDerWaalsContact O-CG 3.3Å; F97-M101 WeakPolarHBondContact O-CG 3.35Å; F97-M101 PolarHBondContact O-N 2.85Å; K98-M101 PolarHBondContact O-N 3.39Å; M101-T103 VanDerWaalsContact C-N 3.33Å; M101-T103 PolarHBondContact O-N 2.86Å; M101-M104 CarbonylContact O-C 3.59Å; M101-M104 WeakPolarHBondContact O-CB 3.38Å; M101-M104 PolarHBondContact O-N 3.14Å; M101-G105 PolarHBondContact O-N 3.28Å; M101-E106 CarbonylContact C-O 3.17Å; M101-E106 PolarHBondContact O-N 2.71Å; M101-F108 HydrophobicContact CB-CD2 3.81Å; M101-F108 HydrophobicContact CB-CE2 4.39Å; M101-F108 HydrophobicContact CB-CG 4.5Å; M101-F108 HydrophobicContact CE-CD2 3.68Å; M101-F108 HydrophobicContact CE-CE1 4.32Å; M101-F108 HydrophobicContact CE-CE2 3.04Å; M101-F108 HydrophobicContact CE-CZ 3.43Å; M101-F108 VanDerWaalsContact CE-CZ 3.43Å; M101-F108 HydrophobicContact CG-CD2 4.14Å; M101-F108 HydrophobicContact CG-CE2 4.46Å
102	T	69	Low	73.6	Confident	75 Å²	75	66.8 Å²	66.8	46%	0.46	35%	0.348	S	S	.	.	H	α-helix	trans	-63.2	-38.9	175.1	-55.6	0	0	0	0	111.9	K98 H99 F100 M104 G105 E106	K98-T102 WeakPolarHBondContact O-CB 3.34Å; K98-T102 PolarHBondContact O-N 3.34Å; K98-T102 PolarHBondContact O-OG1 3.31Å; H99-T102 PolarHBondContact O-N 2.81Å; F100-T102 VanDerWaalsContact C-N 3.29Å; F100-T102 PolarHBondContact O-N 2.91Å; T102-M104 VanDerWaalsContact C-N 3.31Å; T102-G105 PolarHBondContact O-N 3.06Å; T102-G105 VanDerWaalsContact O-N 3.12Å; T102-E106 WeakPolarHBondContact CA-O 3.38Å; T102-E106 PolarHBondContact N-O 2.96Å
103	T	63.3	Low	73.3	Confident	75 Å²	75	67 Å²	67	46%	0.46	35%	0.349	S	S	.	.	H	α-helix	trans	-67.9	-34	177	-58.3	0	0	0	0	111.4	H99 F100 M101 G105	H99-T103 WeakPolarHBondContact O-CB 3.42Å; H99-T103 PolarHBondContact O-N 2.87Å; H99-T103 PolarHBondContact O-OG1 3.1Å; F100-T103 CarbonylContact O-C 3.49Å; F100-T103 WeakPolarHBondContact O-CA 3.35Å; F100-T103 WeakPolarHBondContact O-CB 3.11Å; F100-T103 PolarHBondContact O-N 3.46Å; M101-T103 VanDerWaalsContact C-N 3.33Å; M101-T103 PolarHBondContact O-N 2.86Å; T103-G105 PolarHBondContact O-N 3.35Å
104	M	56.1	Low	73	Confident	40 Å²	40	68.7 Å²	68.7	20%	0.197	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	0.3	172.3	-69.4	-67.8	-77.1	0	0	113.4	M11 F12 L32 F100 M101 T102 E106	M11-M104 HydrophobicContact SD-CE 3.83Å; F12-M104 HydrophobicContact CE1-CE 3.96Å; F12-M104 HydrophobicContact CE1-SD 4.28Å; F12-M104 HydrophobicContact CE2-CE 4.26Å; F12-M104 HydrophobicContact CZ-CE 3.46Å; F12-M104 VanDerWaalsContact CZ-CE 3.46Å; F12-M104 HydrophobicContact CZ-SD 4.31Å; L32-M104 HydrophobicContact CD2-CE 4.37Å; L32-M104 HydrophobicContact CD2-SD 3.52Å; L32-M104 VanDerWaalsContact CD2-SD 3.52Å; F100-M104 HydrophobicContact CD1-CG 4.05Å; F100-M104 HydrophobicContact CE1-CG 3.59Å; F100-M104 HydrophobicContact CE1-SD 4.42Å; F100-M104 HydrophobicContact CE2-CG 4.17Å; F100-M104 HydrophobicContact CE2-SD 4.48Å; F100-M104 HydrophobicContact CZ-CG 3.67Å; F100-M104 HydrophobicContact CZ-SD 3.98Å; F100-M104 WeakPolarHBondContact O-CG 3.46Å; F100-M104 PolarHBondContact O-N 2.83Å; M101-M104 CarbonylContact O-C 3.59Å; M101-M104 WeakPolarHBondContact O-CB 3.38Å; M101-M104 PolarHBondContact O-N 3.14Å; T102-M104 VanDerWaalsContact C-N 3.31Å; M104-E106 PolarHBondContact O-N 2.71Å
105	G	58.3	Low	72.8	Confident	65 Å²	65	73.1 Å²	73.1	67%	0.67	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.7	-1	179	0	0	0	0	0	114	M101 T102 T103	M101-G105 PolarHBondContact O-N 3.28Å; T102-G105 PolarHBondContact O-N 3.06Å; T102-G105 VanDerWaalsContact O-N 3.12Å; T103-G105 PolarHBondContact O-N 3.35Å
106	E	62.4	Low	72.3	Confident	50 Å²	50	67.3 Å²	67.3	23%	0.234	35%	0.346	C	S	.	.			trans	-89.8	127.7	173.3	-62.4	-141.5	109.6	0	0	110.6	K7 M11 M101 T102 M104 F108	K7-E106 IonicContact NZ-OE1 2.83Å; M11-E106 HydrophobicContact CE-CG 3.45Å; M11-E106 VanDerWaalsContact CE-CG 3.45Å; M101-E106 CarbonylContact C-O 3.17Å; M101-E106 PolarHBondContact O-N 2.71Å; T102-E106 WeakPolarHBondContact CA-O 3.38Å; T102-E106 PolarHBondContact N-O 2.96Å; M104-E106 PolarHBondContact O-N 2.71Å; E106-F108 HydrophobicContact CB-CD2 3.86Å; E106-F108 HydrophobicContact CB-CE2 3.55Å; E106-F108 HydrophobicContact CG-CE2 4.34Å; E106-F108 PolarHBondContact O-N 3.31Å; E106-F108 WeakPolarHBondContact OE2-CE2 3.49Å
107	K	62.9	Low	72.2	Confident	192 Å²	192	66.8 Å²	66.8	84%	0.835	34%	0.344	S	S	*	.			trans	-95.1	99.6	173.7	-66.8	-177.9	-178.6	179	0	107.7
108	F	67.9	Low	72.3	Confident	50 Å²	50	75.3 Å²	75.3	22%	0.219	38%	0.376	C	S	.	.			trans	-86.2	140	165.4	-76.1	-106.5	0	0	0	108.8	M101 E106 E112 V113 I116	M101-F108 HydrophobicContact CB-CD2 3.81Å; M101-F108 HydrophobicContact CB-CE2 4.39Å; M101-F108 HydrophobicContact CB-CG 4.5Å; M101-F108 HydrophobicContact CE-CD2 3.68Å; M101-F108 HydrophobicContact CE-CE1 4.32Å; M101-F108 HydrophobicContact CE-CE2 3.04Å; M101-F108 HydrophobicContact CE-CZ 3.43Å; M101-F108 VanDerWaalsContact CE-CZ 3.43Å; M101-F108 HydrophobicContact CG-CD2 4.14Å; M101-F108 HydrophobicContact CG-CE2 4.46Å; E106-F108 HydrophobicContact CB-CD2 3.86Å; E106-F108 HydrophobicContact CB-CE2 3.55Å; E106-F108 HydrophobicContact CG-CE2 4.34Å; E106-F108 PolarHBondContact O-N 3.31Å; E106-F108 WeakPolarHBondContact OE2-CE2 3.49Å; F108-E112 WeakPolarHBondContact CA-OE2 3.48Å; F108-E112 HydrophobicContact CB-CB 4.37Å; F108-E112 HydrophobicContact CD1-CB 3.8Å; F108-V113 HydrophobicContact CB-CG2 3.71Å; F108-I116 HydrophobicContact CD1-CD1 4.05Å; F108-I116 HydrophobicContact CE1-CD1 3.89Å
109	T	75.8	Confident	72.3	Confident	67 Å²	67	79.2 Å²	79.2	41%	0.411	40%	0.395	S	S	.	.			trans	-71.4	163.7	168	80.9	0	0	0	0	109.9	E111 E112 V113	T109-E111 WeakPolarHBondContact CB-OE2 3.2Å; T109-E111 PolarHBondContact O-N 2.8Å; T109-E111 PolarHBondContact OG1-N 3.46Å; T109-E111 PolarHBondContact OG1-OE2 2.9Å; T109-E112 PolarHBondContact N-OE2 2.79Å; T109-E112 PolarHBondContact O-N 3.34Å; T109-E112 PolarHBondContact OG1-N 3.4Å; T109-V113 WeakPolarHBondContact O-CG2 3.31Å; T109-V113 PolarHBondContact O-N 3.12Å
110	E	77.7	Confident	72.4	Confident	118 Å²	118	75.7 Å²	75.7	55%	0.551	38%	0.38	S	S	*	.	H	α-helix	trans	-60.5	-37.8	176.7	-72.5	-179.3	135.2	0	0	110.7	K98 V113 D114	K98-E110 HydrophobicContact CD-CG 4.42Å; K98-E110 VanDerWaalsContact NZ-CD 3.27Å; K98-E110 IonicContact NZ-OE1 3.61Å; K98-E110 PolarHBondContact NZ-OE1 2.92Å; E110-V113 PolarHBondContact O-N 3.43Å; E110-D114 WeakPolarHBondContact O-CB 3.14Å; E110-D114 PolarHBondContact O-N 3.39Å
111	E	80	Confident	73.1	Confident	120 Å²	120	75.7 Å²	75.7	56%	0.561	38%	0.381	S	S	*	.	H	α-helix	trans	-63.2	-43.7	177.7	-55.9	78.6	-170.4	0	0	112	T109 V113 D114 E115	T109-E111 WeakPolarHBondContact CB-OE2 3.2Å; T109-E111 PolarHBondContact O-N 2.8Å; T109-E111 PolarHBondContact OG1-N 3.46Å; T109-E111 PolarHBondContact OG1-OE2 2.9Å; E111-V113 VanDerWaalsContact C-N 3.33Å; E111-V113 PolarHBondContact O-N 3.5Å; E111-D114 PolarHBondContact O-N 3.49Å; E111-E115 WeakPolarHBondContact O-CB 3.23Å; E111-E115 WeakPolarHBondContact O-CG 3.14Å; E111-E115 PolarHBondContact O-N 3.32Å
112	E	77.1	Confident	73.8	Confident	84 Å²	84	81.1 Å²	81.1	39%	0.393	40%	0.404	S	S	.	.	H	α-helix	trans	-65.1	-38	178.2	-66	174.8	125.5	0	0	111.7	F108 T109 I116	F108-E112 WeakPolarHBondContact CA-OE2 3.48Å; F108-E112 HydrophobicContact CB-CB 4.37Å; F108-E112 HydrophobicContact CD1-CB 3.8Å; T109-E112 PolarHBondContact N-OE2 2.79Å; T109-E112 PolarHBondContact O-N 3.34Å; T109-E112 PolarHBondContact OG1-N 3.4Å; E112-I116 WeakPolarHBondContact O-CD1 3.35Å; E112-I116 VanDerWaalsContact O-CG1 3.25Å; E112-I116 WeakPolarHBondContact O-CG1 3.27Å; E112-I116 PolarHBondContact O-N 3.01Å; E112-I116 VanDerWaalsContact O-N 3.1Å
113	V	77.8	Confident	74.6	Confident	3 Å²	3	82.2 Å²	82.2	2%	0.018	41%	0.406	C	S	.	.	H	α-helix	trans	-66.8	-45.3	175.4	174.2	0	0	0	0	110.8	A94 F97 K98 F108 T109 E110 E111 E115 I116 I117	A94-V113 HydrophobicContact CB-CG1 4.31Å; F97-V113 HydrophobicContact CD1-CG1 3.94Å; F97-V113 HydrophobicContact CD1-CG2 4.32Å; K98-V113 HydrophobicContact CB-CG1 4.36Å; K98-V113 HydrophobicContact CB-CG2 4.09Å; K98-V113 HydrophobicContact CG-CG2 4.34Å; F108-V113 HydrophobicContact CB-CG2 3.71Å; T109-V113 WeakPolarHBondContact O-CG2 3.31Å; T109-V113 PolarHBondContact O-N 3.12Å; E110-V113 PolarHBondContact O-N 3.43Å; E111-V113 VanDerWaalsContact C-N 3.33Å; E111-V113 PolarHBondContact O-N 3.5Å; V113-E115 VanDerWaalsContact C-N 3.31Å; V113-E115 PolarHBondContact O-N 3.31Å; V113-I116 PolarHBondContact O-N 3.33Å; V113-I117 HydrophobicContact CG1-CD1 3.62Å; V113-I117 HydrophobicContact CG1-CG1 4.39Å; V113-I117 WeakPolarHBondContact O-CD1 3.41Å; V113-I117 VanDerWaalsContact O-CG1 3.27Å; V113-I117 WeakPolarHBondContact O-CG1 2.81Å; V113-I117 PolarHBondContact O-N 3.1Å
114	D	79.4	Confident	75.7	Confident	73 Å²	73	81.3 Å²	81.3	39%	0.39	41%	0.413	S	S	.	.	H	α-helix	trans	-62.4	-37.9	177.6	-77.3	-34	0	0	0	112	E110 E111 R118	E110-D114 WeakPolarHBondContact O-CB 3.14Å; E110-D114 PolarHBondContact O-N 3.39Å; E111-D114 PolarHBondContact O-N 3.49Å; D114-R118 WeakPolarHBondContact O-CB 3.33Å; D114-R118 VanDerWaalsContact O-CG 3.23Å; D114-R118 WeakPolarHBondContact O-CG 3.34Å; D114-R118 PolarHBondContact O-N 3.43Å
115	E	81.1	Confident	77.2	Confident	124 Å²	124	82 Å²	82	58%	0.579	42%	0.417	S	S	*	.	H	α-helix	trans	-63.4	-48.5	174.6	-77.2	-174.4	99.2	0	0	111.3	E111 V113 I117 R118 E119	E111-E115 WeakPolarHBondContact O-CB 3.23Å; E111-E115 WeakPolarHBondContact O-CG 3.14Å; E111-E115 PolarHBondContact O-N 3.32Å; V113-E115 VanDerWaalsContact C-N 3.31Å; V113-E115 PolarHBondContact O-N 3.31Å; E115-I117 VanDerWaalsContact C-N 3.32Å; E115-I117 PolarHBondContact O-N 3.16Å; E115-R118 PolarHBondContact O-N 3.36Å; E115-E119 WeakPolarHBondContact O-CG 3.16Å; E115-E119 PolarHBondContact O-N 2.95Å
116	I	75.5	Confident	78.5	Confident	42 Å²	42	86.4 Å²	86.4	22%	0.215	42%	0.42	C	S	.	.	H	α-helix	trans	-58.8	-46	177.8	-68.3	164.1	0	0	0	110.7	F97 F108 E112 V113 E119 V120	F97-I116 HydrophobicContact CE1-CD1 3.97Å; F97-I116 HydrophobicContact CE1-CG2 4.16Å; F97-I116 HydrophobicContact CZ-CD1 4.3Å; F97-I116 HydrophobicContact CZ-CG2 3.91Å; F108-I116 HydrophobicContact CD1-CD1 4.05Å; F108-I116 HydrophobicContact CE1-CD1 3.89Å; E112-I116 WeakPolarHBondContact O-CD1 3.35Å; E112-I116 VanDerWaalsContact O-CG1 3.25Å; E112-I116 WeakPolarHBondContact O-CG1 3.27Å; E112-I116 PolarHBondContact O-N 3.01Å; E112-I116 VanDerWaalsContact O-N 3.1Å; V113-I116 PolarHBondContact O-N 3.33Å; I116-E119 PolarHBondContact O-N 2.69Å; I116-V120 VanDerWaalsContact O-CG2 3.3Å; I116-V120 WeakPolarHBondContact O-CG2 3.13Å; I116-V120 PolarHBondContact O-N 3.34Å
117	I	80.2	Confident	79.7	Confident	9 Å²	9	86.5 Å²	86.5	5%	0.046	42%	0.42	C	S	.	.	H	α-helix	trans	-63.4	-47	-179.1	-67.8	165.6	0	0	0	109.9	A94 V113 E115 E119 V120 D121 I128	A94-I117 HydrophobicContact CB-CD1 3.19Å; V113-I117 HydrophobicContact CG1-CD1 3.62Å; V113-I117 HydrophobicContact CG1-CG1 4.39Å; V113-I117 WeakPolarHBondContact O-CD1 3.41Å; V113-I117 VanDerWaalsContact O-CG1 3.27Å; V113-I117 WeakPolarHBondContact O-CG1 2.81Å; V113-I117 PolarHBondContact O-N 3.1Å; E115-I117 VanDerWaalsContact C-N 3.32Å; E115-I117 PolarHBondContact O-N 3.16Å; I117-E119 PolarHBondContact O-N 2.98Å; I117-V120 PolarHBondContact O-N 2.89Å; I117-D121 HydrophobicContact CG2-CB 4.16Å; I117-D121 WeakPolarHBondContact O-CB 3.32Å; I117-D121 PolarHBondContact O-N 2.79Å; I117-I128 HydrophobicContact CG1-CD1 4.24Å
118	R	82.2	Confident	80.8	Confident	191 Å²	191	77.3 Å²	77.3	72%	0.721	38%	0.381	S	S	*	.	H	α-helix	trans	-60.6	-29.1	177.5	-76.1	175	-177.8	164.6	8.2	114.2	D114 E115	D114-R118 WeakPolarHBondContact O-CB 3.33Å; D114-R118 VanDerWaalsContact O-CG 3.23Å; D114-R118 WeakPolarHBondContact O-CG 3.34Å; D114-R118 PolarHBondContact O-N 3.43Å; E115-R118 PolarHBondContact O-N 3.36Å
119	E	79.1	Confident	81.7	Confident	146 Å²	146	76.3 Å²	76.3	68%	0.682	38%	0.377	S	S	*	.	H	α-helix	trans	-73.7	-32.6	175.9	-72.9	-162.6	108.1	0	0	112.2	E115 I116 I117 K122	E115-E119 WeakPolarHBondContact O-CG 3.16Å; E115-E119 PolarHBondContact O-N 2.95Å; I116-E119 PolarHBondContact O-N 2.69Å; I117-E119 PolarHBondContact O-N 2.98Å; E119-K122 PolarHBondContact O-NZ 2.92Å
120	V	77.8	Confident	82	Confident	16 Å²	16	76.1 Å²	76.1	10%	0.097	37%	0.37	C	S	.	.	H	α-helix	trans	-94.7	-42.3	-172.2	176.7	0	0	0	0	112.3	I116 I117 K122 I128 E132 M136	I116-V120 VanDerWaalsContact O-CG2 3.3Å; I116-V120 WeakPolarHBondContact O-CG2 3.13Å; I116-V120 PolarHBondContact O-N 3.34Å; I117-V120 PolarHBondContact O-N 2.89Å; V120-K122 WeakPolarHBondContact O-CG 3.29Å; V120-K122 PolarHBondContact O-N 2.76Å; V120-K122 VanDerWaalsContact O-N 3.12Å; V120-I128 HydrophobicContact CB-CD1 4.33Å; V120-I128 HydrophobicContact CB-CG1 4.45Å; V120-I128 HydrophobicContact CG1-CD1 4.07Å; V120-I128 HydrophobicContact CG1-CG1 4.03Å; V120-I128 HydrophobicContact CG1-CG2 3.76Å; V120-E132 HydrophobicContact CG1-CB 3.95Å; V120-M136 HydrophobicContact CG1-CB 3.85Å; V120-M136 HydrophobicContact CG1-CG 4.36Å; V120-M136 HydrophobicContact CG1-SD 4.33Å; V120-M136 HydrophobicContact CG2-CB 3.88Å; V120-M136 HydrophobicContact CG2-CG 3.6Å; V120-M136 HydrophobicContact CG2-SD 3.74Å
121	D	84.7	Confident	82.1	Confident	24 Å²	24	77 Å²	77	13%	0.128	37%	0.374	C	S	.	.			trans	-62.5	102.9	176.7	177.1	8.3	0	0	0	110.2	I117 D123 G124 D125 E126	I117-D121 HydrophobicContact CG2-CB 4.16Å; I117-D121 WeakPolarHBondContact O-CB 3.32Å; I117-D121 PolarHBondContact O-N 2.79Å; D121-D123 PolarHBondContact OD1-N 2.87Å; D121-G124 VanDerWaalsContact OD1-CA 3.23Å; D121-G124 WeakPolarHBondContact OD1-CA 3.2Å; D121-G124 PolarHBondContact OD1-N 3.41Å; D121-G124 WeakPolarHBondContact OD2-CA 3.42Å; D121-D125 PolarHBondContact OD1-N 3.32Å; D121-D125 PolarHBondContact OD2-N 2.87Å; D121-E126 VanDerWaalsContact OD2-CA 3.27Å; D121-E126 WeakPolarHBondContact OD2-CA 3.43Å; D121-E126 PolarHBondContact OD2-N 2.7Å
122	K	82.2	Confident	82.3	Confident	140 Å²	140	71.6 Å²	71.6	61%	0.609	35%	0.349	S	S	*	.	S	Bend	trans	-93.6	-27	-178	-64.3	-46.8	-178.2	-158.5	0	112.2	E119 V120 E132	E119-K122 PolarHBondContact O-NZ 2.92Å; V120-K122 WeakPolarHBondContact O-CG 3.29Å; V120-K122 PolarHBondContact O-N 2.76Å; V120-K122 VanDerWaalsContact O-N 3.12Å; K122-E132 PolarHBondContact N-OE1 2.84Å
123	D	85.5	Confident	82.3	Confident	97 Å²	97	67.9 Å²	67.9	52%	0.519	33%	0.331	S	S	.	.	S	Bend	trans	-92	-11.8	-179	69.7	18.6	0	0	0	113.4	D121 D125 N129 E132	D121-D123 PolarHBondContact OD1-N 2.87Å; D123-D125 WeakPolarHBondContact OD1-CB 3.18Å; D123-D125 PolarHBondContact OD1-N 3.41Å; D123-D125 VanDerWaalsContact OD1-N 3.11Å; D123-N129 PolarHBondContact OD2-ND2 3.38Å; D123-E132 PolarHBondContact N-OE1 2.81Å
124	G	86	Confident	82	Confident	57 Å²	57	69.4 Å²	69.4	59%	0.588	34%	0.341	S	S	*	.	S	Bend	trans	77.7	24.7	174.6	0	0	0	0	0	113.1	D121 E126	D121-G124 VanDerWaalsContact OD1-CA 3.23Å; D121-G124 WeakPolarHBondContact OD1-CA 3.2Å; D121-G124 PolarHBondContact OD1-N 3.41Å; D121-G124 WeakPolarHBondContact OD2-CA 3.42Å; G124-E126 VanDerWaalsContact C-N 3.27Å
125	D	88.4	Confident	81.6	Confident	55 Å²	55	70.8 Å²	70.8	29%	0.294	34%	0.344	S	S	.	.	S	Bend	trans	-85.7	2.7	179.7	89.4	-18.5	0	0	0	113.9	D121 D123 Q127	D121-D125 PolarHBondContact OD1-N 3.32Å; D121-D125 PolarHBondContact OD2-N 2.87Å; D123-D125 WeakPolarHBondContact OD1-CB 3.18Å; D123-D125 PolarHBondContact OD1-N 3.41Å; D123-D125 VanDerWaalsContact OD1-N 3.11Å; D125-Q127 PolarHBondContact O-N 3.06Å; D125-Q127 VanDerWaalsContact OD1-CA 3.31Å; D125-Q127 WeakPolarHBondContact OD1-CA 3.19Å; D125-Q127 VanDerWaalsContact OD1-CB 3.29Å; D125-Q127 WeakPolarHBondContact OD1-CB 2.94Å; D125-Q127 PolarHBondContact OD1-N 2.8Å; D125-Q127 VanDerWaalsContact OD1-O 3.13Å; D125-Q127 PolarHBondContact OD2-NE2 3.15Å; D125-Q127 VanDerWaalsContact OD2-NE2 3.07Å
126	E	84.8	Confident	81	Confident	157 Å²	157	68 Å²	68	73%	0.734	33%	0.333	S	S	*	.	S	Bend	trans	63.5	18.9	-177.4	-55.1	-177.7	110.7	0	0	113.8	D121 G124	D121-E126 VanDerWaalsContact OD2-CA 3.27Å; D121-E126 WeakPolarHBondContact OD2-CA 3.43Å; D121-E126 PolarHBondContact OD2-N 2.7Å; G124-E126 VanDerWaalsContact C-N 3.27Å
127	Q	87.4	Confident	80.2	Confident	51 Å²	51	69 Å²	69	24%	0.238	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	166.8	176.3	-50.9	173.5	104.5	0	0	109.8	Y91 T93 D125	Y91-Q127 HydrophobicContact CD1-CB 4.23Å; T93-Q127 HydrophobicContact CG2-CG 4.32Å; D125-Q127 PolarHBondContact O-N 3.06Å; D125-Q127 VanDerWaalsContact OD1-CA 3.31Å; D125-Q127 WeakPolarHBondContact OD1-CA 3.19Å; D125-Q127 VanDerWaalsContact OD1-CB 3.29Å; D125-Q127 WeakPolarHBondContact OD1-CB 2.94Å; D125-Q127 PolarHBondContact OD1-N 2.8Å; D125-Q127 VanDerWaalsContact OD1-O 3.13Å; D125-Q127 PolarHBondContact OD2-NE2 3.15Å; D125-Q127 VanDerWaalsContact OD2-NE2 3.07Å
128	I	85.5	Confident	79	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	110	176	-56.4	170.7	0	0	0	108.1	F81 I92 I117 V120 E132 F133	F81-I128 WeakPolarHBondContact CE2-O 3.28Å; I92-I128 HydrophobicContact CB-CB 4.18Å; I92-I128 PolarHBondContact N-O 2.75Å; I92-I128 PolarHBondContact O-N 3.15Å; I117-I128 HydrophobicContact CG1-CD1 4.24Å; V120-I128 HydrophobicContact CB-CD1 4.33Å; V120-I128 HydrophobicContact CB-CG1 4.45Å; V120-I128 HydrophobicContact CG1-CD1 4.07Å; V120-I128 HydrophobicContact CG1-CG1 4.03Å; V120-I128 HydrophobicContact CG1-CG2 3.76Å; I128-E132 WeakPolarHBondContact CA-OE2 3.42Å; I128-E132 HydrophobicContact CG2-CB 3.81Å; I128-F133 HydrophobicContact CG2-CB 3.87Å
129	N	87.5	Confident	77.4	Confident	28 Å²	28	64.1 Å²	64.1	15%	0.15	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	171.1	173.1	70.7	52.2	0	0	0	111.5	F81 Y91 D123 E131 E132 F133	F81-N129 VanDerWaalsContact CE2-C 3.42Å; Y91-N129 HydrophobicContact CD1-CB 4Å; Y91-N129 HydrophobicContact CE1-CB 4.01Å; D123-N129 PolarHBondContact OD2-ND2 3.38Å; N129-E131 VanDerWaalsContact C-N 3.27Å; N129-E131 PolarHBondContact O-N 2.78Å; N129-E131 WeakPolarHBondContact OD1-CA 3.44Å; N129-E131 WeakPolarHBondContact OD1-CB 3.13Å; N129-E131 PolarHBondContact OD1-N 2.71Å; N129-E132 PolarHBondContact N-OE2 3.43Å; N129-E132 PolarHBondContact ND2-OE2 2.75Å; N129-E132 PolarHBondContact O-N 3.08Å; N129-E132 PolarHBondContact OD1-N 3.34Å; N129-F133 PolarHBondContact O-N 2.81Å
130	Y	81.4	Confident	75.6	Confident	63 Å²	63	62 Å²	62	25%	0.247	34%	0.335	C	S	.	.	H	α-helix	trans	-57.2	-38.3	-178.1	179.4	-97.6	0	0	0	113.3	V77 R78 F81 V134	V77-Y130 HydrophobicContact CB-CE2 4.42Å; V77-Y130 HydrophobicContact CG1-CE2 3.82Å; R78-Y130 HydrophobicContact CB-CE2 4.26Å; R78-Y130 HydrophobicContact CG-CD2 4.42Å; R78-Y130 HydrophobicContact CG-CE2 3.48Å; R78-Y130 VanDerWaalsContact CG-CE2 3.48Å; F81-Y130 HydrophobicContact CB-CD2 4.02Å; F81-Y130 HydrophobicContact CB-CE2 4.45Å; F81-Y130 HydrophobicContact CD1-CD2 4.45Å; F81-Y130 HydrophobicContact CD2-CD2 4.18Å; F81-Y130 AromaticContact CG-CD2 3.94Å; F81-Y130 HydrophobicContact CG-CD2 3.94Å; Y130-V134 HydrophobicContact CD1-CG2 3.98Å; Y130-V134 HydrophobicContact CE1-CG2 3.58Å; Y130-V134 HydrophobicContact CE2-CG2 4.19Å; Y130-V134 HydrophobicContact CG-CG2 4.44Å; Y130-V134 WeakPolarHBondContact O-CB 3.3Å; Y130-V134 WeakPolarHBondContact O-CG2 3.08Å; Y130-V134 PolarHBondContact O-N 2.94Å
131	E	81.6	Confident	73.5	Confident	138 Å²	138	67.4 Å²	67.4	65%	0.645	37%	0.368	S	S	*	.	H	α-helix	trans	-70	-38.8	-179.6	-61	-169.6	158.8	0	0	111.6	N129 V134 Q135	N129-E131 VanDerWaalsContact C-N 3.27Å; N129-E131 PolarHBondContact O-N 2.78Å; N129-E131 WeakPolarHBondContact OD1-CA 3.44Å; N129-E131 WeakPolarHBondContact OD1-CB 3.13Å; N129-E131 PolarHBondContact OD1-N 2.71Å; E131-V134 PolarHBondContact O-N 2.74Å; E131-Q135 VanDerWaalsContact O-CG 3.31Å; E131-Q135 WeakPolarHBondContact O-CG 3.08Å; E131-Q135 PolarHBondContact O-N 2.75Å
132	E	82.9	Confident	71	Confident	6 Å²	6	76.7 Å²	76.7	3%	0.028	40%	0.402	C	S	.	.	H	α-helix	trans	-68	-41.3	175.7	-69	169.2	150.3	0	0	111.5	V120 K122 D123 I128 N129 V134 Q135 M136	V120-E132 HydrophobicContact CG1-CB 3.95Å; K122-E132 PolarHBondContact N-OE1 2.84Å; D123-E132 PolarHBondContact N-OE1 2.81Å; I128-E132 WeakPolarHBondContact CA-OE2 3.42Å; I128-E132 HydrophobicContact CG2-CB 3.81Å; N129-E132 PolarHBondContact N-OE2 3.43Å; N129-E132 PolarHBondContact ND2-OE2 2.75Å; N129-E132 PolarHBondContact O-N 3.08Å; N129-E132 PolarHBondContact OD1-N 3.34Å; E132-V134 VanDerWaalsContact C-N 3.34Å; E132-V134 PolarHBondContact O-N 2.86Å; E132-Q135 CarbonylContact O-C 3.57Å; E132-Q135 PolarHBondContact O-N 2.88Å; E132-Q135 VanDerWaalsContact O-N 3.14Å; E132-M136 WeakPolarHBondContact O-CB 3.31Å; E132-M136 PolarHBondContact O-N 2.77Å
133	F	77.1	Confident	68.6	Low	5 Å²	5	79.6 Å²	79.6	2%	0.022	41%	0.41	C	S	.	.	H	α-helix	trans	-61.3	-44	173	-172.7	-95.4	0	0	0	111.4	V77 A80 F81 F84 I92 I128 N129 Q135 M136 I137	V77-F133 HydrophobicContact CG1-CD1 4.01Å; V77-F133 HydrophobicContact CG1-CE1 4.25Å; A80-F133 HydrophobicContact CB-CE1 3.77Å; A80-F133 HydrophobicContact CB-CZ 3.84Å; F81-F133 HydrophobicContact CB-CD1 4.26Å; F81-F133 HydrophobicContact CB-CE1 4.5Å; F81-F133 HydrophobicContact CD2-CB 3.56Å; F81-F133 HydrophobicContact CD2-CD1 4.05Å; F81-F133 HydrophobicContact CD2-CD2 4.27Å; F81-F133 AromaticContact CD2-CG 3.71Å; F81-F133 HydrophobicContact CD2-CG 3.71Å; F81-F133 HydrophobicContact CE2-CB 3.9Å; F81-F133 HydrophobicContact CE2-CG 4.41Å; F84-F133 AromaticContact CD2-CE2 3.66Å; F84-F133 HydrophobicContact CD2-CE2 3.66Å; F84-F133 AromaticContact CD2-CZ 3.96Å; F84-F133 HydrophobicContact CD2-CZ 3.96Å; F84-F133 AromaticContact CE2-CE2 3.61Å; F84-F133 HydrophobicContact CE2-CE2 3.61Å; F84-F133 AromaticContact CE2-CZ 3.8Å; F84-F133 HydrophobicContact CE2-CZ 3.8Å; F84-F133 HydrophobicContact CZ-CE2 4.38Å; I92-F133 HydrophobicContact CD1-CD2 3.55Å; I92-F133 HydrophobicContact CD1-CE2 4Å; I92-F133 HydrophobicContact CD1-CG 4.24Å; I128-F133 HydrophobicContact CG2-CB 3.87Å; N129-F133 PolarHBondContact O-N 2.81Å; F133-Q135 VanDerWaalsContact C-N 3.29Å; F133-Q135 PolarHBondContact O-N 3.16Å; F133-M136 HydrophobicContact CD2-CE 3.51Å; F133-M136 HydrophobicContact CE2-CE 3.45Å; F133-M136 VanDerWaalsContact CE2-CE 3.45Å; F133-M136 HydrophobicContact CG-CE 4.38Å; F133-M136 HydrophobicContact CZ-CE 4.28Å; F133-M136 WeakPolarHBondContact O-CB 3.1Å; F133-M136 PolarHBondContact O-N 2.6Å; F133-I137 HydrophobicContact CD1-CD1 4.16Å; F133-I137 HydrophobicContact CD1-CG2 4.3Å; F133-I137 HydrophobicContact CE1-CD1 4.04Å; F133-I137 HydrophobicContact CE1-CG2 3.9Å; F133-I137 HydrophobicContact CZ-CG2 4.04Å; F133-I137 WeakPolarHBondContact O-CG1 3.37Å; F133-I137 PolarHBondContact O-N 2.73Å
134	V	71.3	Confident	66.1	Low	36 Å²	36	85.7 Å²	85.7	22%	0.218	43%	0.427	C	S	.	.	H	α-helix	trans	-59.5	-41	173.7	173.4	0	0	0	0	110.7	V77 Y130 E131 E132 I137 A138	V77-V134 HydrophobicContact CG1-CG2 3.57Å; Y130-V134 HydrophobicContact CD1-CG2 3.98Å; Y130-V134 HydrophobicContact CE1-CG2 3.58Å; Y130-V134 HydrophobicContact CE2-CG2 4.19Å; Y130-V134 HydrophobicContact CG-CG2 4.44Å; Y130-V134 WeakPolarHBondContact O-CB 3.3Å; Y130-V134 WeakPolarHBondContact O-CG2 3.08Å; Y130-V134 PolarHBondContact O-N 2.94Å; E131-V134 PolarHBondContact O-N 2.74Å; E132-V134 VanDerWaalsContact C-N 3.34Å; E132-V134 PolarHBondContact O-N 2.86Å; V134-I137 VanDerWaalsContact O-CG1 3.3Å; V134-I137 WeakPolarHBondContact O-CG1 3.28Å; V134-A138 WeakPolarHBondContact O-CA 3.3Å; V134-A138 WeakPolarHBondContact O-CB 3.42Å; V134-A138 PolarHBondContact O-N 2.91Å
135	Q	70.8	Confident	63.7	Low	101 Å²	101	92 Å²	92	47%	0.472	44%	0.442	S	S	.	.	H	α-helix	trans	-69.6	-32.6	177.3	-74.2	178.4	39.7	0	0	113.2	E131 E132 F133	E131-Q135 VanDerWaalsContact O-CG 3.31Å; E131-Q135 WeakPolarHBondContact O-CG 3.08Å; E131-Q135 PolarHBondContact O-N 2.75Å; E132-Q135 CarbonylContact O-C 3.57Å; E132-Q135 PolarHBondContact O-N 2.88Å; E132-Q135 VanDerWaalsContact O-N 3.14Å; F133-Q135 VanDerWaalsContact C-N 3.29Å; F133-Q135 PolarHBondContact O-N 3.16Å
136	M	68.1	Low	61.3	Low	67 Å²	67	97.1 Å²	97.1	33%	0.33	46%	0.464	S	S	.	.	H	α-helix	trans	-66.9	-43.7	175.6	-177.8	-173	72.6	0	0	111.3	V120 E132 F133	V120-M136 HydrophobicContact CG1-CB 3.85Å; V120-M136 HydrophobicContact CG1-CG 4.36Å; V120-M136 HydrophobicContact CG1-SD 4.33Å; V120-M136 HydrophobicContact CG2-CB 3.88Å; V120-M136 HydrophobicContact CG2-CG 3.6Å; V120-M136 HydrophobicContact CG2-SD 3.74Å; E132-M136 WeakPolarHBondContact O-CB 3.31Å; E132-M136 PolarHBondContact O-N 2.77Å; F133-M136 HydrophobicContact CD2-CE 3.51Å; F133-M136 HydrophobicContact CE2-CE 3.45Å; F133-M136 VanDerWaalsContact CE2-CE 3.45Å; F133-M136 HydrophobicContact CG-CE 4.38Å; F133-M136 HydrophobicContact CZ-CE 4.28Å; F133-M136 WeakPolarHBondContact O-CB 3.1Å; F133-M136 PolarHBondContact O-N 2.6Å
137	I	60.2	Low	59.1	Low	61 Å²	61	96.1 Å²	96.1	31%	0.313	46%	0.464	S	S	.	.	H	α-helix	trans	-82.3	-30.4	179.6	68.8	-176.4	0	0	0	112.7	N69 V77 F133 V134	N69-I137 PolarHBondContact OD1-O 2.92Å; V77-I137 HydrophobicContact CB-CD1 4Å; V77-I137 HydrophobicContact CG1-CD1 3.36Å; V77-I137 HydrophobicContact CG2-CD1 3.52Å; F133-I137 HydrophobicContact CD1-CD1 4.16Å; F133-I137 HydrophobicContact CD1-CG2 4.3Å; F133-I137 HydrophobicContact CE1-CD1 4.04Å; F133-I137 HydrophobicContact CE1-CG2 3.9Å; F133-I137 HydrophobicContact CZ-CG2 4.04Å; F133-I137 WeakPolarHBondContact O-CG1 3.37Å; F133-I137 PolarHBondContact O-N 2.73Å; V134-I137 VanDerWaalsContact O-CG1 3.3Å; V134-I137 WeakPolarHBondContact O-CG1 3.28Å
138	A	54.1	Low	57.1	Low	38 Å²	38	101 Å²	101	31%	0.314	49%	0.492	S	S	.	.	S	Bend	trans	-66.2	139	174.5	0	0	0	0	0	108.4	V134 S140	V134-A138 WeakPolarHBondContact O-CA 3.3Å; V134-A138 WeakPolarHBondContact O-CB 3.42Å; V134-A138 PolarHBondContact O-N 2.91Å; A138-S140 PolarHBondContact O-N 2.91Å
139	P	49.3	Very low	55.3	Low	60 Å²	60	112.1 Å²	112.1	39%	0.39	53%	0.533	S	S	.	.			trans	-69.2	110.1	178.7	30.2	-22	0	0	0	106.1	N69 V141	N69-P139 HydrophobicContact CB-CG 3.83Å; N69-P139 VanDerWaalsContact ND2-CB 3.32Å; N69-P139 WeakPolarHBondContact ND2-CB 3.28Å; N69-P139 VanDerWaalsContact ND2-CG 3.29Å; N69-P139 WeakPolarHBondContact ND2-CG 3.17Å; N69-P139 WeakPolarHBondContact OD1-CD 3.47Å; N69-P139 WeakPolarHBondContact OD1-CG 3.16Å; P139-V141 HydrophobicContact CB-CG2 4.38Å; P139-V141 HydrophobicContact CG-CG2 4.44Å; P139-V141 PolarHBondContact O-N 2.81Å
140	S	40.3	Very low	53.4	Low	101 Å²	101	115.9 Å²	115.9	71%	0.706	56%	0.557	S	S	*	*			trans	-62.2	89.1	156.7	-78.8	0	0	0	0	106.9	A138 R142	A138-S140 PolarHBondContact O-N 2.91Å; S140-R142 PolarHBondContact O-N 3.33Å
141	V	34.9	Very low	52	Low	131 Å²	131	118 Å²	118	79%	0.794	58%	0.581	S	S	*	*			trans	-65.4	74.8	160.8	-175.5	0	0	0	0	105.9	P139	P139-V141 HydrophobicContact CB-CG2 4.38Å; P139-V141 HydrophobicContact CG-CG2 4.44Å; P139-V141 PolarHBondContact O-N 2.81Å
142	R	31.4	Very low	50.7	Low	218 Å²	218	119.1 Å²	119.1	82%	0.823	59%	0.592	S	S	*	*			trans	-178.5	85.8	173.7	-98.6	155.2	-161.8	-139.7	5.9	106.9	S140	S140-R142 PolarHBondContact O-N 3.33Å
143	Y	33.1	Very low	49.1	Very low	201 Å²	201	130.3 Å²	130.3	79%	0.788	65%	0.651	S	S	*	*	S	Bend	trans	169.7	58.4	137.6	-91.5	-71.8	0	0	0	110.4
144	Y	33.2	Very low	47.7	Very low	225 Å²	225	136.6 Å²	136.6	88%	0.882	68%	0.682	S	S	*	*	S	Bend	trans	-138.2	71.5	153.6	-90.6	-76.9	0	0	0	106.9
145	Q	35	Very low	46.5	Very low	190 Å²	190	141.9 Å²	141.9	89%	0.888	71%	0.707	S	S	*	*	S	Bend	trans	171.3	66.1	161.7	-98.1	161.4	96.3	0	0	109.3
146	Q	37	Very low	45.2	Very low	163 Å²	163	144.2 Å²	144.2	76%	0.762	72%	0.72	S	S	*	*			trans	-159.2	47.7	156.4	-121.4	174.8	94.3	0	0	110.5
147	D	39.8	Very low	43.8	Very low	136 Å²	136	148.7 Å²	148.7	73%	0.727	74%	0.743	S	S	*	*			trans	-137.6	68.7	163.5	-145.2	-67.1	0	0	0	107.8
148	D	43.9	Very low	42.8	Very low	154 Å²	154	154.2 Å²	154.2	82%	0.824	77%	0.769	S	S	*	*			trans	-145.3	54.2	164.6	-136.5	-62.1	0	0	0	106.9
149	R	48.5	Very low	42	Very low	232 Å²	232	161.9 Å²	161.9	88%	0.875	80%	0.8	S	S	*	*			trans	-138.9	45.8	160.9	-66.4	-160.7	-143.7	175.2	9.7	109.5
150	T	48.4	Very low	41.5	Very low	107 Å²	107	169.2 Å²	169.2	66%	0.656	83%	0.829	S	S	*	*			trans	-88.5	98.1	158.4	45.8	0	0	0	0	108.2
151	S	52.2	Low	41.6	Very low	107 Å²	107	174.5 Å²	174.5	75%	0.748	84%	0.839	S	S	*	*				154.5	97.6	129.2	-64.4	0	0	0	0	109.3	L153	S151-L153 PolarHBondContact O-N 2.78Å; S151-L153 VanDerWaalsContact O-N 3.11Å
152	D	52.4	Low	42.2	Very low	162 Å²	162	178.1 Å²	178.1	87%	0.866	84%	0.842	S	S	*	*			trans	-40	106.9	145.6	-73	-103	0	0	0	111.1
153	L	51.2	Low	43.1	Very low	242 Å²	242	174.5 Å²	174.5	100%	1.267	84%	0.844	S	S	*	*			trans	169.2	0	132.8	-93.8	156.2	0	0	0	111.2	S151	S151-L153 PolarHBondContact O-N 2.78Å; S151-L153 VanDerWaalsContact O-N 3.11Å

Retrieved 153 of 153 residues in 165.9 ms (Link to these results)

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