A0A3Q0KHR9_SCHMA Loading...

Uncharacterized protein

AlphaFold DB (G4VRC9), UniProt , Accession A0A3Q0KHR9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 180 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.2	Very low	42.3	Very low	233 Å²	233	147.7 Å²	147.7	100%	1.148	73%	0.728	S	S	*	*				0	117.3	0	-66.9	-160.9	171.7	0	0	108.5	R3	M1-R3 PolarHBondContact O-N 2.97Å
2	P	40.7	Very low	42.4	Very low	126 Å²	126	143.3 Å²	143.3	82%	0.818	71%	0.705	S	S	*	*			trans	-68.5	123.9	177.1	-7.6	22.9	0	0	0	108.9	V4	P2-V4 PolarHBondContact O-N 2.82Å
3	R	42.9	Very low	42.9	Very low	241 Å²	241	139.8 Å²	139.8	91%	0.909	69%	0.691	S	S	*	*			trans	-64.9	104.3	170.9	-79.8	179.6	173.6	175.7	-2.4	107.7	M1 I5	M1-R3 PolarHBondContact O-N 2.97Å; R3-I5 PolarHBondContact O-N 3.46Å
4	V	44.3	Very low	42.7	Very low	128 Å²	128	138.5 Å²	138.5	78%	0.776	68%	0.679	S	S	*	*			trans	-65.8	102.8	164.6	-179.8	0	0	0	0	105.9	P2 K6	P2-V4 PolarHBondContact O-N 2.82Å; V4-K6 VanDerWaalsContact C-N 3.32Å; V4-K6 PolarHBondContact O-N 2.82Å
5	I	44.7	Very low	43.3	Very low	148 Å²	148	135.9 Å²	135.9	76%	0.759	67%	0.665	S	S	*	*			trans	-63.9	99.2	171.3	-61.1	171.6	0	0	0	105.6	R3 R7	R3-I5 PolarHBondContact O-N 3.46Å; I5-R7 PolarHBondContact O-N 3.03Å
6	K	41.5	Very low	44	Very low	193 Å²	193	137.6 Å²	137.6	84%	0.839	66%	0.662	S	S	*	*			trans	-63.1	109.8	167.2	-78.2	-174	176.4	-177.2	0	106.3	V4	V4-K6 VanDerWaalsContact C-N 3.32Å; V4-K6 PolarHBondContact O-N 2.82Å
7	R	42.6	Very low	44.7	Very low	162 Å²	162	133.5 Å²	133.5	61%	0.611	65%	0.65	S	S	*	*			trans	-61.2	139.6	171.4	-66.8	-173.5	-173.3	-173.4	2.5	107.8	I5 E15	I5-R7 PolarHBondContact O-N 3.03Å; R7-E15 IonicContact NH1-OE1 2.64Å; R7-E15 PolarHBondContact NH1-OE1 2.95Å
8	L	39.5	Very low	45.4	Very low	110 Å²	110	132.4 Å²	132.4	58%	0.576	64%	0.643	S	S	*	*			trans	-59.3	140.4	177	-77.2	150.7	0	0	0	108.9	E10 V11	L8-E10 PolarHBondContact O-N 3.01Å; L8-V11 PolarHBondContact O-N 3.35Å
9	P	44	Very low	46.4	Very low	90 Å²	90	131.4 Å²	131.4	58%	0.584	64%	0.637	S	S	*	*	H	α-helix	trans	-49.2	-30.4	176.9	-26	33.3	0	0	0	113.1	V11 E12 D13	P9-V11 VanDerWaalsContact C-N 3.34Å; P9-V11 PolarHBondContact O-N 3.13Å; P9-E12 WeakPolarHBondContact O-CB 3.42Å; P9-E12 PolarHBondContact O-N 2.93Å; P9-E12 VanDerWaalsContact O-N 3.13Å; P9-D13 PolarHBondContact O-N 3.04Å
10	E	44.8	Very low	47.1	Very low	134 Å²	134	134.4 Å²	134.4	63%	0.626	64%	0.641	S	S	*	*	H	α-helix	trans	-65	-28.5	-179.5	-59.8	171.6	-169.4	0	0	114.4	L8 F14	L8-E10 PolarHBondContact O-N 3.01Å; E10-F14 PolarHBondContact O-N 3.25Å
11	V	44.9	Very low	47.9	Very low	60 Å²	60	132 Å²	132	36%	0.364	63%	0.629	S	S	.	*	H	α-helix	trans	-75.5	-33.6	174	-178.7	0	0	0	0	110.4	L8 P9 D13 F14 E15	L8-V11 PolarHBondContact O-N 3.35Å; P9-V11 VanDerWaalsContact C-N 3.34Å; P9-V11 PolarHBondContact O-N 3.13Å; V11-D13 VanDerWaalsContact C-N 3.32Å; V11-F14 PolarHBondContact O-N 3.39Å; V11-E15 PolarHBondContact O-N 3.41Å
12	E	43.8	Very low	49.2	Very low	95 Å²	95	123.9 Å²	123.9	44%	0.444	59%	0.592	S	S	.	*	H	α-helix	trans	-66.1	-37.1	175.2	-61.6	-172	172.6	0	0	111.1	P9 R16	P9-E12 WeakPolarHBondContact O-CB 3.42Å; P9-E12 PolarHBondContact O-N 2.93Å; P9-E12 VanDerWaalsContact O-N 3.13Å; E12-R16 VanDerWaalsContact O-CB 3.26Å; E12-R16 WeakPolarHBondContact O-CB 3.46Å; E12-R16 WeakPolarHBondContact O-CG 3.24Å; E12-R16 PolarHBondContact O-N 3.49Å; E12-R16 IonicContact OE2-NH2 3.89Å
13	D	49	Very low	50.5	Low	98 Å²	98	122.3 Å²	122.3	52%	0.524	58%	0.577	S	S	.	*	H	α-helix	trans	-69.1	-37	175.4	-79.6	-20.1	0	0	0	112.6	P9 V11 R16 C17	P9-D13 PolarHBondContact O-N 3.04Å; V11-D13 VanDerWaalsContact C-N 3.32Å; D13-R16 PolarHBondContact O-N 3.43Å; D13-C17 VanDerWaalsContact O-CB 3.3Å; D13-C17 WeakPolarHBondContact O-CB 3.5Å; D13-C17 PolarHBondContact O-N 2.97Å
14	F	40.6	Very low	51.6	Low	121 Å²	121	114 Å²	114	53%	0.531	55%	0.553	S	S	.	*	H	α-helix	trans	-63.1	-50.1	171.8	177.2	-94.3	0	0	0	111.6	E10 V11 R16 C17 H18	E10-F14 PolarHBondContact O-N 3.25Å; V11-F14 PolarHBondContact O-N 3.39Å; F14-R16 VanDerWaalsContact C-N 3.3Å; F14-R16 PolarHBondContact O-N 3.33Å; F14-C17 PolarHBondContact O-N 3.48Å; F14-H18 WeakPolarHBondContact O-CB 3.34Å; F14-H18 PolarHBondContact O-N 3.46Å
15	E	50.6	Low	52.4	Low	100 Å²	100	111.2 Å²	111.2	47%	0.467	53%	0.534	S	S	.	.	H	α-helix	trans	-61.6	-39	177.3	-75.2	-177.7	-177.7	0	0	110.9	R7 V11 H19	R7-E15 IonicContact NH1-OE1 2.64Å; R7-E15 PolarHBondContact NH1-OE1 2.95Å; V11-E15 PolarHBondContact O-N 3.41Å; E15-H19 WeakPolarHBondContact O-CA 3.39Å; E15-H19 WeakPolarHBondContact O-CB 3.22Å; E15-H19 PolarHBondContact O-N 2.86Å
16	R	55.4	Low	53.5	Low	163 Å²	163	106.8 Å²	106.8	62%	0.615	51%	0.513	S	S	*	.	H	α-helix	trans	-67.7	-45.7	176	-77.6	175.9	-169.9	-169.5	8.6	113	E12 D13 F14 H19 R20	E12-R16 VanDerWaalsContact O-CB 3.26Å; E12-R16 WeakPolarHBondContact O-CB 3.46Å; E12-R16 WeakPolarHBondContact O-CG 3.24Å; E12-R16 PolarHBondContact O-N 3.49Å; E12-R16 IonicContact OE2-NH2 3.89Å; D13-R16 PolarHBondContact O-N 3.43Å; F14-R16 VanDerWaalsContact C-N 3.3Å; F14-R16 PolarHBondContact O-N 3.33Å; R16-H19 PolarHBondContact O-N 2.91Å; R16-R20 VanDerWaalsContact O-CB 3.26Å; R16-R20 WeakPolarHBondContact O-CB 3.33Å; R16-R20 PolarHBondContact O-N 2.73Å
17	C	55.5	Low	54.7	Low	67 Å²	67	104.1 Å²	104.1	45%	0.453	50%	0.502	S	S	.	.	H	α-helix	trans	-64.6	-44.9	177.2	-83.4	0	0	0	0	111	D13 F14 R20 Q21	D13-C17 VanDerWaalsContact O-CB 3.3Å; D13-C17 WeakPolarHBondContact O-CB 3.5Å; D13-C17 PolarHBondContact O-N 2.97Å; F14-C17 PolarHBondContact O-N 3.48Å; C17-R20 PolarHBondContact O-N 3.34Å; C17-Q21 WeakPolarHBondContact O-CB 3.23Å; C17-Q21 PolarHBondContact O-N 3.21Å
18	H	58.1	Low	55.6	Low	114 Å²	114	101.1 Å²	101.1	53%	0.528	50%	0.497	S	S	.	.	H	α-helix	trans	-62.2	-46.6	175	-172.8	68.8	0	0	0	111.2	F14 R20 Q21 V22	F14-H18 WeakPolarHBondContact O-CB 3.34Å; F14-H18 PolarHBondContact O-N 3.46Å; H18-R20 PolarHBondContact O-N 2.73Å; H18-Q21 PolarHBondContact O-N 3.2Å; H18-V22 WeakPolarHBondContact O-CB 3.28Å; H18-V22 VanDerWaalsContact O-CG2 3.28Å; H18-V22 WeakPolarHBondContact O-CG2 3.49Å; H18-V22 PolarHBondContact O-N 3.07Å
19	H	62.9	Low	56.6	Low	114 Å²	114	100 Å²	100	53%	0.528	49%	0.49	S	S	.	.	H	α-helix	trans	-61.6	-42.3	176.7	-170.4	71.4	0	0	0	111.8	E15 R16 Q21 V22 L23	E15-H19 WeakPolarHBondContact O-CA 3.39Å; E15-H19 WeakPolarHBondContact O-CB 3.22Å; E15-H19 PolarHBondContact O-N 2.86Å; R16-H19 PolarHBondContact O-N 2.91Å; H19-Q21 VanDerWaalsContact C-N 3.34Å; H19-Q21 PolarHBondContact O-N 3.05Å; H19-V22 PolarHBondContact O-N 2.91Å; H19-L23 WeakPolarHBondContact NE2-CD1 3.49Å; H19-L23 WeakPolarHBondContact O-CB 3.23Å; H19-L23 VanDerWaalsContact O-CG 3.24Å; H19-L23 WeakPolarHBondContact O-CG 3.35Å; H19-L23 PolarHBondContact O-N 3.24Å
20	R	62.2	Low	57.5	Low	190 Å²	190	103 Å²	103	72%	0.717	49%	0.493	S	S	*	.	H	α-helix	trans	-62.5	-41.4	175.2	-168	177.2	-177.9	-159	0.8	111.4	R16 C17 H18 L23 V24	R16-R20 VanDerWaalsContact O-CB 3.26Å; R16-R20 WeakPolarHBondContact O-CB 3.33Å; R16-R20 PolarHBondContact O-N 2.73Å; C17-R20 PolarHBondContact O-N 3.34Å; H18-R20 PolarHBondContact O-N 2.73Å; R20-L23 PolarHBondContact O-N 3.44Å; R20-V24 WeakPolarHBondContact O-CB 3.02Å; R20-V24 VanDerWaalsContact O-CG2 3.24Å; R20-V24 WeakPolarHBondContact O-CG2 3.48Å; R20-V24 PolarHBondContact O-N 3.49Å
21	Q	62	Low	58.3	Low	86 Å²	86	97.9 Å²	97.9	40%	0.402	47%	0.472	S	S	.	.	H	α-helix	trans	-66.3	-42.7	176	-170.6	63	49.2	0	0	111.7	C17 H18 H19 L23 V24 N25	C17-Q21 WeakPolarHBondContact O-CB 3.23Å; C17-Q21 PolarHBondContact O-N 3.21Å; H18-Q21 PolarHBondContact O-N 3.2Å; H19-Q21 VanDerWaalsContact C-N 3.34Å; H19-Q21 PolarHBondContact O-N 3.05Å; Q21-L23 VanDerWaalsContact C-N 3.34Å; Q21-V24 PolarHBondContact O-N 3.23Å; Q21-N25 PolarHBondContact NE2-OD1 2.71Å; Q21-N25 WeakPolarHBondContact O-CB 3.17Å; Q21-N25 PolarHBondContact O-N 2.86Å; Q21-N25 PolarHBondContact O-OD1 2.8Å
22	V	64.4	Low	58.7	Low	61 Å²	61	100.2 Å²	100.2	37%	0.37	48%	0.481	S	S	.	.	H	α-helix	trans	-62	-42.7	175.2	170.6	0	0	0	0	110.7	H18 H19 N25 T26	H18-V22 WeakPolarHBondContact O-CB 3.28Å; H18-V22 VanDerWaalsContact O-CG2 3.28Å; H18-V22 WeakPolarHBondContact O-CG2 3.49Å; H18-V22 PolarHBondContact O-N 3.07Å; H19-V22 PolarHBondContact O-N 2.91Å; V22-N25 PolarHBondContact O-N 3.49Å; V22-T26 VanDerWaalsContact O-CB 3.23Å; V22-T26 WeakPolarHBondContact O-CB 3.26Å; V22-T26 PolarHBondContact O-N 3.41Å; V22-T26 PolarHBondContact O-OG1 2.85Å
23	L	67	Low	59.3	Low	94 Å²	94	100.2 Å²	100.2	49%	0.492	48%	0.48	S	S	.	.	H	α-helix	trans	-64.3	-44.7	175.7	-74.8	175.3	0	0	0	112	H19 R20 Q21 T26 F27	H19-L23 WeakPolarHBondContact NE2-CD1 3.49Å; H19-L23 WeakPolarHBondContact O-CB 3.23Å; H19-L23 VanDerWaalsContact O-CG 3.24Å; H19-L23 WeakPolarHBondContact O-CG 3.35Å; H19-L23 PolarHBondContact O-N 3.24Å; R20-L23 PolarHBondContact O-N 3.44Å; Q21-L23 VanDerWaalsContact C-N 3.34Å; L23-T26 PolarHBondContact O-N 2.82Å; L23-F27 VanDerWaalsContact O-CB 3.23Å; L23-F27 WeakPolarHBondContact O-CB 3.39Å; L23-F27 PolarHBondContact O-N 3.46Å
24	V	65.7	Low	59.4	Low	66 Å²	66	102.6 Å²	102.6	40%	0.4	49%	0.492	S	S	.	.	H	α-helix	trans	-62.6	-45.4	176.3	168.7	0	0	0	0	110.5	R20 Q21 F27 L28	R20-V24 WeakPolarHBondContact O-CB 3.02Å; R20-V24 VanDerWaalsContact O-CG2 3.24Å; R20-V24 WeakPolarHBondContact O-CG2 3.48Å; R20-V24 PolarHBondContact O-N 3.49Å; Q21-V24 PolarHBondContact O-N 3.23Å; V24-F27 PolarHBondContact O-N 3.42Å; V24-L28 HydrophobicContact CG1-CD1 3.94Å; V24-L28 HydrophobicContact CG1-CG 4.42Å; V24-L28 WeakPolarHBondContact O-CB 3.22Å; V24-L28 VanDerWaalsContact O-CG 3.27Å; V24-L28 WeakPolarHBondContact O-CG 3.42Å; V24-L28 PolarHBondContact O-N 2.83Å
25	N	61.1	Low	60	Low	70 Å²	70	103.4 Å²	103.4	37%	0.374	50%	0.501	S	S	.	.	H	α-helix	trans	-64	-43.7	177.9	-71.2	-2.4	0	0	0	111.4	Q21 V22 F27 L28 E29	Q21-N25 PolarHBondContact NE2-OD1 2.71Å; Q21-N25 WeakPolarHBondContact O-CB 3.17Å; Q21-N25 PolarHBondContact O-N 2.86Å; Q21-N25 PolarHBondContact O-OD1 2.8Å; V22-N25 PolarHBondContact O-N 3.49Å; N25-F27 VanDerWaalsContact C-N 3.35Å; N25-F27 PolarHBondContact O-N 2.81Å; N25-L28 PolarHBondContact O-N 3.34Å; N25-E29 WeakPolarHBondContact O-CB 3.27Å; N25-E29 PolarHBondContact O-N 3.31Å
26	T	68.9	Low	59.7	Low	55 Å²	55	102.5 Å²	102.5	34%	0.337	50%	0.5	S	S	.	.	H	α-helix	trans	-64.3	-40.4	176.9	-58.9	0	0	0	0	111.3	V22 L23 E29 K30	V22-T26 VanDerWaalsContact O-CB 3.23Å; V22-T26 WeakPolarHBondContact O-CB 3.26Å; V22-T26 PolarHBondContact O-N 3.41Å; V22-T26 PolarHBondContact O-OG1 2.85Å; L23-T26 PolarHBondContact O-N 2.82Å; T26-E29 PolarHBondContact O-N 3.35Å; T26-K30 HydrophobicContact CG2-CD 4.48Å; T26-K30 WeakPolarHBondContact O-CB 3.24Å; T26-K30 WeakPolarHBondContact O-CG 3.44Å; T26-K30 PolarHBondContact O-N 2.77Å
27	F	65.7	Low	59.3	Low	137 Å²	137	99.9 Å²	99.9	60%	0.601	50%	0.504	S	S	*	.	H	α-helix	trans	-65	-45.8	176	175.8	-95.3	0	0	0	111.3	L23 V24 N25 K30 S31	L23-F27 VanDerWaalsContact O-CB 3.23Å; L23-F27 WeakPolarHBondContact O-CB 3.39Å; L23-F27 PolarHBondContact O-N 3.46Å; V24-F27 PolarHBondContact O-N 3.42Å; N25-F27 VanDerWaalsContact C-N 3.35Å; N25-F27 PolarHBondContact O-N 2.81Å; F27-K30 PolarHBondContact O-N 3.41Å; F27-S31 WeakPolarHBondContact CZ-OG 3.41Å; F27-S31 WeakPolarHBondContact O-CB 3.26Å; F27-S31 PolarHBondContact O-N 2.84Å; F27-S31 PolarHBondContact O-OG 3.44Å
28	L	62.4	Low	58.7	Low	98 Å²	98	103.7 Å²	103.7	51%	0.513	52%	0.52	S	S	.	.	H	α-helix	trans	-60.6	-45.6	175.7	-73	171.4	0	0	0	110.7	V24 N25 K30 S31 M32	V24-L28 HydrophobicContact CG1-CD1 3.94Å; V24-L28 HydrophobicContact CG1-CG 4.42Å; V24-L28 WeakPolarHBondContact O-CB 3.22Å; V24-L28 VanDerWaalsContact O-CG 3.27Å; V24-L28 WeakPolarHBondContact O-CG 3.42Å; V24-L28 PolarHBondContact O-N 2.83Å; N25-L28 PolarHBondContact O-N 3.34Å; L28-K30 PolarHBondContact O-N 3.47Å; L28-S31 PolarHBondContact O-N 3.13Å; L28-M32 WeakPolarHBondContact O-CB 3.41Å; L28-M32 WeakPolarHBondContact O-CG 3.33Å; L28-M32 PolarHBondContact O-N 2.87Å
29	E	59.8	Low	58	Low	88 Å²	88	103.8 Å²	103.8	41%	0.411	52%	0.524	S	S	.	.	H	α-helix	trans	-59.1	-48	177.3	-170.9	171.8	-156.4	0	0	111.7	N25 T26 S31 M32 H33	N25-E29 WeakPolarHBondContact O-CB 3.27Å; N25-E29 PolarHBondContact O-N 3.31Å; T26-E29 PolarHBondContact O-N 3.35Å; E29-S31 VanDerWaalsContact C-N 3.34Å; E29-S31 PolarHBondContact O-N 3.46Å; E29-M32 PolarHBondContact O-N 3.44Å; E29-H33 PolarHBondContact O-CD2 3.37Å
30	K	63.7	Low	56.7	Low	152 Å²	152	107.2 Å²	107.2	66%	0.661	54%	0.54	S	S	*	.	H	α-helix	trans	-64.5	-37	175.6	-74.7	-174.7	178.3	-176.3	0	112.9	T26 F27 L28	T26-K30 HydrophobicContact CG2-CD 4.48Å; T26-K30 WeakPolarHBondContact O-CB 3.24Å; T26-K30 WeakPolarHBondContact O-CG 3.44Å; T26-K30 PolarHBondContact O-N 2.77Å; F27-K30 PolarHBondContact O-N 3.41Å; L28-K30 PolarHBondContact O-N 3.47Å
31	S	60.3	Low	55.5	Low	26 Å²	26	103 Å²	103	18%	0.182	53%	0.53	C	S	.	.	H	α-helix	trans	-79	-24.1	-176.5	-56.9	0	0	0	0	113	F27 L28 E29 H33 L34	F27-S31 WeakPolarHBondContact CZ-OG 3.41Å; F27-S31 WeakPolarHBondContact O-CB 3.26Å; F27-S31 PolarHBondContact O-N 2.84Å; F27-S31 PolarHBondContact O-OG 3.44Å; L28-S31 PolarHBondContact O-N 3.13Å; E29-S31 VanDerWaalsContact C-N 3.34Å; E29-S31 PolarHBondContact O-N 3.46Å; S31-H33 PolarHBondContact O-N 2.87Å; S31-L34 WeakPolarHBondContact O-CB 3.46Å; S31-L34 PolarHBondContact O-N 2.81Å
32	M	54.3	Low	54.1	Low	110 Å²	110	104.8 Å²	104.8	54%	0.542	55%	0.549	S	S	.	.	H	α-helix	trans	-60.1	-29.4	176.1	-81.9	-64.9	-60.8	0	0	112.5	L28 E29 L34 L35 N36	L28-M32 WeakPolarHBondContact O-CB 3.41Å; L28-M32 WeakPolarHBondContact O-CG 3.33Å; L28-M32 PolarHBondContact O-N 2.87Å; E29-M32 PolarHBondContact O-N 3.44Å; M32-L34 VanDerWaalsContact C-N 3.3Å; M32-L34 PolarHBondContact O-N 2.8Å; M32-L35 PolarHBondContact O-N 3.35Å; M32-L35 HydrophobicContact SD-CD1 4.5Å; M32-N36 PolarHBondContact O-N 3.16Å
33	H	54.9	Low	52.5	Low	95 Å²	95	109.1 Å²	109.1	44%	0.44	57%	0.57	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.1	-28.4	173.3	-62.3	-68.5	0	0	0	113.2	E29 S31 L35 N36	E29-H33 PolarHBondContact O-CD2 3.37Å; S31-H33 PolarHBondContact O-N 2.87Å; H33-L35 VanDerWaalsContact C-N 3.31Å; H33-N36 CarbonylContact O-C 3.57Å; H33-N36 PolarHBondContact O-N 2.88Å
34	L	52.8	Low	50.6	Low	147 Å²	147	107.3 Å²	107.3	77%	0.77	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	-27.6	177.2	-62.4	171.5	0	0	0	112	S31 M32 N36	S31-L34 WeakPolarHBondContact O-CB 3.46Å; S31-L34 PolarHBondContact O-N 2.81Å; M32-L34 VanDerWaalsContact C-N 3.3Å; M32-L34 PolarHBondContact O-N 2.8Å; L34-N36 VanDerWaalsContact C-N 3.35Å
35	L	51.7	Low	48.8	Very low	138 Å²	138	115.3 Å²	115.3	72%	0.723	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	-8.9	178.7	-64.2	174.7	0	0	0	113	M32 H33	M32-L35 PolarHBondContact O-N 3.35Å; M32-L35 HydrophobicContact SD-CD1 4.5Å; H33-L35 VanDerWaalsContact C-N 3.31Å
36	N	44.6	Very low	47.3	Very low	81 Å²	81	116.4 Å²	116.4	43%	0.433	62%	0.618	S	S	.	*			trans	-138.2	75.3	-176.5	-119.7	-23.7	0	0	0	111.5	M32 H33 L34 N38 L39	M32-N36 PolarHBondContact O-N 3.16Å; H33-N36 CarbonylContact O-C 3.57Å; H33-N36 PolarHBondContact O-N 2.88Å; L34-N36 VanDerWaalsContact C-N 3.35Å; N36-N38 PolarHBondContact O-N 2.88Å; N36-L39 HydrophobicContact CB-CD1 4.33Å; N36-L39 PolarHBondContact O-N 3.17Å
37	P	48.1	Very low	45.3	Very low	108 Å²	108	119.3 Å²	119.3	70%	0.701	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.3	-12.7	-178.6	23.4	-32.5	0	0	0	114.4
38	N	42.3	Very low	43.9	Very low	148 Å²	148	124.4 Å²	124.4	79%	0.791	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	-2.5	-179.6	-69.4	-30.9	0	0	0	114.6	N36 Q40	N36-N38 PolarHBondContact O-N 2.88Å; N38-Q40 PolarHBondContact O-N 3.48Å; N38-Q40 VanDerWaalsContact O-N 3.13Å
39	L	42.3	Very low	42.4	Very low	116 Å²	116	127.9 Å²	127.9	61%	0.607	67%	0.666	S	S	*	*	S	Bend	trans	-81.9	90.6	166.1	-101	132.8	0	0	0	108.2	N36 I41	N36-L39 HydrophobicContact CB-CD1 4.33Å; N36-L39 PolarHBondContact O-N 3.17Å; L39-I41 PolarHBondContact O-N 3.27Å
40	Q	36.5	Very low	41	Very low	185 Å²	185	130.6 Å²	130.6	86%	0.864	68%	0.684	S	S	*	*			trans	-48.5	104	172.5	-68.7	179.1	2.6	0	0	110.3	N38	N38-Q40 PolarHBondContact O-N 3.48Å; N38-Q40 VanDerWaalsContact O-N 3.13Å
41	I	37.4	Very low	39.4	Very low	101 Å²	101	130.1 Å²	130.1	52%	0.518	69%	0.689	S	S	.	*			trans	-76.4	128	158	-60.1	171.2	0	0	0	105.1	L39 N43	L39-I41 PolarHBondContact O-N 3.27Å; I41-N43 VanDerWaalsContact C-N 3.28Å; I41-N43 PolarHBondContact O-N 2.89Å
42	P	31.8	Very low	37.9	Very low	124 Å²	124	137.6 Å²	137.6	81%	0.805	72%	0.718	S	S	*	*			trans	-63.9	100	167.2	1.4	9.5	0	0	0	107.3	G44	P42-G44 PolarHBondContact O-N 3.41Å
43	N	32.4	Very low	37	Very low	152 Å²	152	138.2 Å²	138.2	81%	0.813	73%	0.73	S	S	*	*			trans	-54.8	132.3	165.5	-80.6	-31.7	0	0	0	108.8	I41	I41-N43 VanDerWaalsContact C-N 3.28Å; I41-N43 PolarHBondContact O-N 2.89Å
44	G	26.8	Very low	36	Very low	56 Å²	56	138 Å²	138	58%	0.577	74%	0.74	S	S	*	*	S	Bend		47.8	124.7	127.7	0	0	0	0	0	119.3	P42	P42-G44 PolarHBondContact O-N 3.41Å
45	Y	27.6	Very low	35.2	Very low	235 Å²	235	137.2 Å²	137.2	92%	0.922	74%	0.741	S	S	*	*			trans	75	126.7	146.5	-63.5	-85.5	0	0	0	118.6
46	A	29.7	Very low	34.5	Very low	93 Å²	93	136.5 Å²	136.5	77%	0.769	74%	0.743	S	S	*	*			trans	70.1	127.1	170.4	0	0	0	0	0	114.4
47	T	26.6	Very low	34.3	Very low	115 Å²	115	140 Å²	140	71%	0.706	76%	0.761	S	S	*	*				-167.2	142.1	54.1	-45.7	0	0	0	0	108	M49	T47-M49 PolarHBondContact O-N 3.35Å
48	R	35.3	Very low	34	Very low	245 Å²	245	141.2 Å²	141.2	93%	0.925	76%	0.761	S	S	*	*			trans	-55.6	107	164.4	-73.4	-178.3	175.8	-173.2	-1	108.4
49	M	30.7	Very low	34	Very low	170 Å²	170	139.9 Å²	139.9	84%	0.837	76%	0.763	S	S	*	*			trans	-130.9	108.1	162.9	-83.4	-70.5	162.7	0	0	108.1	T47	T47-M49 PolarHBondContact O-N 3.35Å
50	N	30.3	Very low	34	Very low	145 Å²	145	138 Å²	138	78%	0.775	75%	0.751	S	S	*	*			trans	-51.5	152.3	161.3	-117.3	-13.8	0	0	0	110
51	N	30	Very low	34.7	Very low	142 Å²	142	132.3 Å²	132.3	76%	0.759	73%	0.729	S	S	*	*			trans	94.2	110.5	159.4	-59.2	-23.7	0	0	0	118.3
52	K	29	Very low	35.2	Very low	183 Å²	183	133.9 Å²	133.9	80%	0.796	74%	0.736	S	S	*	*			trans	88.1	108.5	158	-65.8	-178.9	177.4	179.2	0	115.1	S54	K52-S54 PolarHBondContact O-N 3.19Å
53	P	35.9	Very low	35.8	Very low	123 Å²	123	129.6 Å²	129.6	80%	0.799	71%	0.711	S	S	*	*			trans	-64.9	95	163.1	27.7	-29.4	0	0	0	107	T55	P53-T55 VanDerWaalsContact C-N 3.28Å; P53-T55 PolarHBondContact O-N 2.85Å
54	S	34.3	Very low	36.4	Very low	92 Å²	92	126.1 Å²	126.1	64%	0.643	69%	0.69	S	S	*	*			trans	-63.9	102.2	155.4	-50.8	0	0	0	0	104.4	K52 T56	K52-S54 PolarHBondContact O-N 3.19Å; S54-T56 PolarHBondContact O-N 3.44Å
55	T	35.9	Very low	37.5	Very low	130 Å²	130	129.1 Å²	129.1	80%	0.798	69%	0.687	S	S	*	*			trans	-66.7	68.8	169.7	-27.6	0	0	0	0	107.3	P53 L57	P53-T55 VanDerWaalsContact C-N 3.28Å; P53-T55 PolarHBondContact O-N 2.85Å; T55-L57 VanDerWaalsContact C-N 3.27Å; T55-L57 PolarHBondContact O-N 2.95Å
56	T	36.7	Very low	38.5	Very low	123 Å²	123	120.7 Å²	120.7	76%	0.755	66%	0.656	S	S	*	*			trans	-70.3	96.7	171	37.5	0	0	0	0	106.5	S54 N58	S54-T56 PolarHBondContact O-N 3.44Å; T56-N58 PolarHBondContact O-N 3.38Å
57	L	41	Very low	39.5	Very low	155 Å²	155	119.8 Å²	119.8	81%	0.812	64%	0.638	S	S	*	*			trans	-6.7	111.8	159.4	-97.7	75.9	0	0	0	113.5	T55 S59	T55-L57 VanDerWaalsContact C-N 3.27Å; T55-L57 PolarHBondContact O-N 2.95Å; L57-S59 PolarHBondContact O-N 3.37Å
58	N	41.7	Very low	40.3	Very low	132 Å²	132	116.7 Å²	116.7	71%	0.706	62%	0.617	S	S	*	*			trans	36.6	80.8	138.2	-70.6	-2.4	0	0	0	115.4	T56 Q60	T56-N58 PolarHBondContact O-N 3.38Å; N58-Q60 HydrophobicContact CB-CG 4.3Å; N58-Q60 PolarHBondContact O-N 3.24Å
59	S	42.5	Very low	40.9	Very low	120 Å²	120	108.3 Å²	108.3	84%	0.839	60%	0.595	S	S	*	*			trans	-63.9	66.5	147	51.3	0	0	0	0	109.3	L57 T61	L57-S59 PolarHBondContact O-N 3.37Å; S59-T61 PolarHBondContact O-N 3.39Å
60	Q	42.7	Very low	41.9	Very low	78 Å²	78	101.9 Å²	101.9	36%	0.364	56%	0.564	S	S	.	*			trans	-63.9	116.2	161.9	-79.8	178.1	-21	0	0	106	N58 Q64 K65 D68	N58-Q60 HydrophobicContact CB-CG 4.3Å; N58-Q60 PolarHBondContact O-N 3.24Å; Q60-Q64 HydrophobicContact CB-CB 4.25Å; Q60-Q64 HydrophobicContact CG-CB 4.43Å; Q60-Q64 HydrophobicContact CG-CG 4.2Å; Q60-K65 HydrophobicContact CB-CG 3.95Å; Q60-D68 PolarHBondContact NE2-OD2 2.99Å
61	T	50	Low	42.9	Very low	65 Å²	65	101.1 Å²	101.1	40%	0.399	55%	0.553	S	S	.	*			trans	-57.7	154.6	168.3	50.9	0	0	0	0	108.8	S59 A63 Q64 K65	S59-T61 PolarHBondContact O-N 3.39Å; T61-A63 PolarHBondContact O-N 2.97Å; T61-Q64 PolarHBondContact O-N 2.91Å; T61-Q64 PolarHBondContact OG1-N 3.39Å; T61-K65 PolarHBondContact O-N 2.85Å; T61-K65 VanDerWaalsContact O-N 3.16Å
62	M	48.8	Very low	44	Very low	133 Å²	133	101.5 Å²	101.5	66%	0.655	55%	0.55	S	S	*	*	H	α-helix	trans	-51.6	-40.8	175.9	-68.7	-73.9	-84.3	0	0	110	Q64 K65 E66	M62-Q64 VanDerWaalsContact C-N 3.32Å; M62-Q64 PolarHBondContact O-N 3.21Å; M62-K65 PolarHBondContact O-N 3.48Å; M62-E66 VanDerWaalsContact C-CD 3.41Å; M62-E66 WeakPolarHBondContact CB-OE1 3.19Å; M62-E66 VanDerWaalsContact O-CB 3.3Å; M62-E66 WeakPolarHBondContact O-CB 3.3Å; M62-E66 WeakPolarHBondContact O-CG 3.4Å; M62-E66 PolarHBondContact O-N 3.2Å
63	A	44.9	Very low	45.6	Very low	34 Å²	34	98.4 Å²	98.4	28%	0.281	54%	0.537	S	S	.	.	H	α-helix	trans	-54.4	-38.3	172.7	0	0	0	0	0	114.8	T61 E66 I67	T61-A63 PolarHBondContact O-N 2.97Å; A63-E66 WeakPolarHBondContact CA-OE2 3.39Å; A63-E66 WeakPolarHBondContact O-CB 3.45Å; A63-E66 PolarHBondContact O-N 3.35Å; A63-I67 VanDerWaalsContact O-CG1 3.26Å; A63-I67 WeakPolarHBondContact O-CG1 3.01Å; A63-I67 PolarHBondContact O-N 3.35Å
64	Q	43.6	Very low	47.4	Very low	80 Å²	80	95.8 Å²	95.8	37%	0.374	51%	0.514	S	S	.	.	H	α-helix	trans	-74.2	-43.1	178.4	-166.7	64.4	50	0	0	111.5	Q60 T61 M62 E66 I67 D68	Q60-Q64 HydrophobicContact CB-CB 4.25Å; Q60-Q64 HydrophobicContact CG-CB 4.43Å; Q60-Q64 HydrophobicContact CG-CG 4.2Å; T61-Q64 PolarHBondContact O-N 2.91Å; T61-Q64 PolarHBondContact OG1-N 3.39Å; M62-Q64 VanDerWaalsContact C-N 3.32Å; M62-Q64 PolarHBondContact O-N 3.21Å; Q64-E66 PolarHBondContact O-N 3.38Å; Q64-I67 PolarHBondContact O-N 2.93Å; Q64-D68 PolarHBondContact NE2-OD1 3.47Å; Q64-D68 WeakPolarHBondContact O-CB 3.19Å; Q64-D68 PolarHBondContact O-N 2.91Å
65	K	50.5	Low	49.5	Very low	118 Å²	118	96.2 Å²	96.2	51%	0.513	50%	0.502	S	S	.	.	H	α-helix	trans	-60.2	-35.1	171.2	-71.8	-176.2	179	178.7	0	111.6	Q60 T61 M62 C69	Q60-K65 HydrophobicContact CB-CG 3.95Å; T61-K65 PolarHBondContact O-N 2.85Å; T61-K65 VanDerWaalsContact O-N 3.16Å; M62-K65 PolarHBondContact O-N 3.48Å; K65-C69 WeakPolarHBondContact O-CB 3.3Å; K65-C69 PolarHBondContact O-N 2.99Å
66	E	49	Very low	51.6	Low	59 Å²	59	96.9 Å²	96.9	28%	0.276	50%	0.496	S	S	.	.	H	α-helix	trans	-67.6	-48.5	177.2	-72	159.2	-161.1	0	0	111.7	M62 A63 Q64 D68 C69 I70 I140	M62-E66 VanDerWaalsContact C-CD 3.41Å; M62-E66 WeakPolarHBondContact CB-OE1 3.19Å; M62-E66 VanDerWaalsContact O-CB 3.3Å; M62-E66 WeakPolarHBondContact O-CB 3.3Å; M62-E66 WeakPolarHBondContact O-CG 3.4Å; M62-E66 PolarHBondContact O-N 3.2Å; A63-E66 WeakPolarHBondContact CA-OE2 3.39Å; A63-E66 WeakPolarHBondContact O-CB 3.45Å; A63-E66 PolarHBondContact O-N 3.35Å; Q64-E66 PolarHBondContact O-N 3.38Å; E66-D68 VanDerWaalsContact C-N 3.33Å; E66-D68 PolarHBondContact O-N 3.45Å; E66-C69 PolarHBondContact O-N 3.08Å; E66-I70 VanDerWaalsContact O-CD1 3.31Å; E66-I70 WeakPolarHBondContact O-CD1 3.26Å; E66-I70 VanDerWaalsContact O-CG1 3.28Å; E66-I70 WeakPolarHBondContact O-CG1 3.4Å; E66-I70 PolarHBondContact O-N 2.94Å; E66-I70 VanDerWaalsContact O-N 3.11Å; E66-I140 HydrophobicContact CB-CG1 4.35Å; E66-I140 VanDerWaalsContact CD-CD1 3.42Å; E66-I140 HydrophobicContact CG-CD1 3.77Å; E66-I140 HydrophobicContact CG-CG1 3.92Å
67	I	50.2	Low	53.7	Low	74 Å²	74	92.3 Å²	92.3	38%	0.379	47%	0.467	S	S	.	.	H	α-helix	trans	-61.5	-42.4	175.1	-70.2	165.3	0	0	0	110.7	A63 Q64 C69 I70 K71	A63-I67 VanDerWaalsContact O-CG1 3.26Å; A63-I67 WeakPolarHBondContact O-CG1 3.01Å; A63-I67 PolarHBondContact O-N 3.35Å; Q64-I67 PolarHBondContact O-N 2.93Å; I67-C69 PolarHBondContact O-N 3.42Å; I67-I70 PolarHBondContact O-N 2.81Å; I67-K71 HydrophobicContact CG2-CD 4.04Å; I67-K71 HydrophobicContact CG2-CG 4.35Å; I67-K71 WeakPolarHBondContact O-CG 3.36Å; I67-K71 PolarHBondContact O-N 3.26Å
68	D	43.9	Very low	55.6	Low	50 Å²	50	88.3 Å²	88.3	27%	0.267	45%	0.45	S	S	.	.	H	α-helix	trans	-65.1	-39.2	179.4	-67	-15.5	0	0	0	111.2	Q60 Q64 E66 I70 K71 Q72	Q60-D68 PolarHBondContact NE2-OD2 2.99Å; Q64-D68 PolarHBondContact NE2-OD1 3.47Å; Q64-D68 WeakPolarHBondContact O-CB 3.19Å; Q64-D68 PolarHBondContact O-N 2.91Å; E66-D68 VanDerWaalsContact C-N 3.33Å; E66-D68 PolarHBondContact O-N 3.45Å; D68-I70 VanDerWaalsContact C-N 3.34Å; D68-I70 PolarHBondContact O-N 2.98Å; D68-K71 PolarHBondContact O-N 3.33Å; D68-Q72 WeakPolarHBondContact O-CG 3.19Å; D68-Q72 PolarHBondContact O-N 3.49Å; D68-Q72 VanDerWaalsContact O-N 3.08Å
69	C	48.4	Very low	57.2	Low	69 Å²	69	87.8 Å²	87.8	47%	0.466	45%	0.454	S	S	.	.	H	α-helix	trans	-63.8	-37.5	174.9	-172.1	0	0	0	0	112.4	K65 E66 I67 F73	K65-C69 WeakPolarHBondContact O-CB 3.3Å; K65-C69 PolarHBondContact O-N 2.99Å; E66-C69 PolarHBondContact O-N 3.08Å; I67-C69 PolarHBondContact O-N 3.42Å; C69-F73 WeakPolarHBondContact O-CD2 3.33Å
70	I	51.1	Low	58.8	Low	35 Å²	35	89.2 Å²	89.2	18%	0.179	45%	0.447	C	S	.	.	H	α-helix	trans	-69.4	-46.1	177.4	-67.1	157.7	0	0	0	110.3	E66 I67 D68 Q72 F73 Y87 P139	E66-I70 VanDerWaalsContact O-CD1 3.31Å; E66-I70 WeakPolarHBondContact O-CD1 3.26Å; E66-I70 VanDerWaalsContact O-CG1 3.28Å; E66-I70 WeakPolarHBondContact O-CG1 3.4Å; E66-I70 PolarHBondContact O-N 2.94Å; E66-I70 VanDerWaalsContact O-N 3.11Å; I67-I70 PolarHBondContact O-N 2.81Å; D68-I70 VanDerWaalsContact C-N 3.34Å; D68-I70 PolarHBondContact O-N 2.98Å; I70-Q72 VanDerWaalsContact C-N 3.27Å; I70-Q72 PolarHBondContact O-N 3.11Å; I70-F73 PolarHBondContact O-N 2.99Å; I70-Y87 HydrophobicContact CG2-CD1 3.46Å; I70-Y87 VanDerWaalsContact CG2-CD1 3.46Å; I70-Y87 HydrophobicContact CG2-CE1 3.32Å; I70-P139 HydrophobicContact CD1-CB 3.48Å; I70-P139 VanDerWaalsContact CD1-CB 3.48Å; I70-P139 HydrophobicContact CD1-CG 3.69Å; I70-P139 HydrophobicContact CG1-CB 4.22Å
71	K	50.8	Low	60.4	Low	129 Å²	129	87.7 Å²	87.7	56%	0.561	44%	0.438	S	S	*	.	H	α-helix	trans	-62.3	-31.5	179.6	-76.5	-178.7	177.2	-178.7	0	113.1	I67 D68 F73 E74	I67-K71 HydrophobicContact CG2-CD 4.04Å; I67-K71 HydrophobicContact CG2-CG 4.35Å; I67-K71 WeakPolarHBondContact O-CG 3.36Å; I67-K71 PolarHBondContact O-N 3.26Å; D68-K71 PolarHBondContact O-N 3.33Å; K71-F73 PolarHBondContact O-N 3.44Å; K71-E74 PolarHBondContact O-N 2.73Å
72	Q	52.5	Low	61.5	Low	149 Å²	149	89.2 Å²	89.2	70%	0.696	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-24.5	-179.6	-82.9	178.2	6.4	0	0	114	D68 I70	D68-Q72 WeakPolarHBondContact O-CG 3.19Å; D68-Q72 PolarHBondContact O-N 3.49Å; D68-Q72 VanDerWaalsContact O-N 3.08Å; I70-Q72 VanDerWaalsContact C-N 3.27Å; I70-Q72 PolarHBondContact O-N 3.11Å
73	F	62.6	Low	63.2	Low	118 Å²	118	84.9 Å²	84.9	52%	0.518	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	5.8	-178.1	-61.5	-80.4	0	0	0	113.5	C69 I70 K71 R75 I86 Y87	C69-F73 WeakPolarHBondContact O-CD2 3.33Å; I70-F73 PolarHBondContact O-N 2.99Å; K71-F73 PolarHBondContact O-N 3.44Å; F73-R75 PolarHBondContact O-N 3.3Å; F73-R75 VanDerWaalsContact O-N 3.08Å; F73-I86 VanDerWaalsContact O-O 3.13Å; F73-Y87 WeakPolarHBondContact CB-O 3.41Å
74	E	73.4	Confident	65.2	Low	68 Å²	68	83.4 Å²	83.4	32%	0.318	42%	0.419	S	S	.	.			trans	-69.8	106.9	179.6	-166.2	179.1	154.9	0	0	110.1	K71 T85 I86	K71-E74 PolarHBondContact O-N 2.73Å; E74-T85 HydrophobicContact CG-CG2 3.3Å; E74-T85 WeakPolarHBondContact OE1-CG2 3.33Å; E74-I86 CarbonylContact C-O 3.48Å; E74-I86 WeakPolarHBondContact CA-O 3.28Å
75	R	79.7	Confident	67.3	Low	102 Å²	102	79.8 Å²	79.8	39%	0.385	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	108.7	172.3	-171.4	-178.2	65.6	-179.8	-0.2	109.1	F73 I86 E96	F73-R75 PolarHBondContact O-N 3.3Å; F73-R75 VanDerWaalsContact O-N 3.08Å; R75-I86 HydrophobicContact CB-CB 4.42Å; R75-I86 PolarHBondContact N-O 3.48Å; R75-I86 PolarHBondContact O-N 2.75Å; R75-E96 IonicContact CZ-OE1 2.76Å; R75-E96 IonicContact NH1-OE1 3.5Å; R75-E96 PolarHBondContact NH1-OE1 3.24Å; R75-E96 IonicContact NH1-OE2 2.73Å; R75-E96 IonicContact NH2-OE1 2.76Å; R75-E96 PolarHBondContact NH2-OE1 2.92Å; R75-E96 IonicContact NH2-OE2 2.94Å; R75-E96 PolarHBondContact NH2-OE2 2.71Å
76	Q	78.6	Confident	69.1	Low	143 Å²	143	74.3 Å²	74.3	67%	0.668	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.5	133.7	165.9	-67.1	-170.4	-3.5	0	0	109.4
77	L	82.1	Confident	70.9	Confident	28 Å²	28	72.3 Å²	72.3	15%	0.147	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-78.8	163.4	175.2	-72.1	-179.2	0	0	0	111.1	Y81 I84 I86 I100	L77-Y81 HydrophobicContact CB-CD2 4.08Å; L77-Y81 HydrophobicContact CB-CG 4.41Å; L77-Y81 HydrophobicContact CD1-CD2 4.19Å; L77-Y81 HydrophobicContact CD1-CG 4.24Å; L77-I84 HydrophobicContact CD1-CB 3.98Å; L77-I84 HydrophobicContact CD1-CG2 3.88Å; L77-I86 HydrophobicContact CD1-CD1 4Å; L77-I86 HydrophobicContact CD2-CD1 3.71Å; L77-I86 HydrophobicContact CG-CD1 3.9Å; L77-I86 HydrophobicContact CG-CG1 4.48Å; L77-I100 HydrophobicContact CD1-CB 4.41Å; L77-I100 HydrophobicContact CD1-CD1 4.05Å; L77-I100 HydrophobicContact CD1-CG1 4.04Å; L77-I100 HydrophobicContact CD1-CG2 3.49Å; L77-I100 VanDerWaalsContact CD1-CG2 3.49Å; L77-I100 HydrophobicContact CD2-CD1 3.88Å
78	P	80.6	Confident	72.5	Confident	70 Å²	70	70.8 Å²	70.8	46%	0.455	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-50.7	156.6	172.7	-28.1	34.8	0	0	0	112.6	E80 Y81	P78-E80 PolarHBondContact O-N 3.09Å; P78-Y81 PolarHBondContact O-N 2.99Å
79	P	74.9	Confident	74.6	Confident	122 Å²	122	69.9 Å²	69.9	79%	0.792	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-17.9	-175.6	-26.4	34.4	0	0	0	115.7	Y81 P82	P79-Y81 PolarHBondContact O-N 3.48Å; P79-P82 WeakPolarHBondContact O-CD 3.31Å
80	E	77	Confident	76.5	Confident	150 Å²	150	68.4 Å²	68.4	70%	0.701	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-18.9	172.7	-63.6	168.7	-161.2	0	0	113	P78 P82	P78-E80 PolarHBondContact O-N 3.09Å; E80-P82 VanDerWaalsContact C-CD 3.42Å; E80-P82 WeakPolarHBondContact O-CD 3.23Å
81	Y	76.1	Confident	78.4	Confident	45 Å²	45	67.5 Å²	67.5	18%	0.176	34%	0.34	C	S	.	.	S	Bend	trans	-125.1	55.7	-178.3	-49	-56.6	0	0	0	111	L77 P78 P79 C83 I84 I100 L101 V104	L77-Y81 HydrophobicContact CB-CD2 4.08Å; L77-Y81 HydrophobicContact CB-CG 4.41Å; L77-Y81 HydrophobicContact CD1-CD2 4.19Å; L77-Y81 HydrophobicContact CD1-CG 4.24Å; P78-Y81 PolarHBondContact O-N 2.99Å; P79-Y81 PolarHBondContact O-N 3.48Å; Y81-C83 PolarHBondContact O-N 3.15Å; Y81-I84 PolarHBondContact O-N 2.84Å; Y81-I100 HydrophobicContact CD2-CG2 4.4Å; Y81-I100 HydrophobicContact CG-CG2 4.38Å; Y81-L101 HydrophobicContact CE1-CD2 4.25Å; Y81-L101 WeakPolarHBondContact OH-CD2 3.13Å; Y81-V104 HydrophobicContact CD1-CB 4.24Å; Y81-V104 HydrophobicContact CD1-CG1 3.98Å; Y81-V104 HydrophobicContact CD1-CG2 3.38Å; Y81-V104 HydrophobicContact CE1-CG1 4.33Å; Y81-V104 HydrophobicContact CE1-CG2 4.01Å; Y81-V104 HydrophobicContact CG-CG2 4.14Å
82	P	72.4	Confident	80.3	Confident	97 Å²	97	65 Å²	65	63%	0.63	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-19.8	-163.5	29	-35.6	0	0	0	113.3	P79 E80	P79-P82 WeakPolarHBondContact O-CD 3.31Å; E80-P82 VanDerWaalsContact C-CD 3.42Å; E80-P82 WeakPolarHBondContact O-CD 3.23Å
83	C	83.8	Confident	82.2	Confident	42 Å²	42	62.9 Å²	62.9	28%	0.284	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	5.6	-174.2	-54.5	0	0	0	0	113.4	Y81 Y159 E160	Y81-C83 PolarHBondContact O-N 3.15Å; C83-Y159 HydrophobicContact CB-CD1 4.1Å; C83-Y159 HydrophobicContact CB-CD2 4.49Å; C83-Y159 HydrophobicContact CB-CE1 3.61Å; C83-Y159 HydrophobicContact CB-CE2 4.04Å; C83-Y159 CarbonylContact O-C 3.34Å; C83-Y159 WeakPolarHBondContact O-CA 3.47Å; C83-E160 PolarHBondContact O-N 2.8Å
84	I	88.7	Confident	83.6	Confident	3 Å²	3	63.2 Å²	63.2	2%	0.015	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	121.5	-175.9	-59.6	177.3	0	0	0	110.9	L77 Y81 I86 I103 V104 F157 Y159	L77-I84 HydrophobicContact CD1-CB 3.98Å; L77-I84 HydrophobicContact CD1-CG2 3.88Å; Y81-I84 PolarHBondContact O-N 2.84Å; I84-I86 HydrophobicContact CG2-CG1 4.16Å; I84-I103 HydrophobicContact CD1-CB 3.98Å; I84-I103 HydrophobicContact CD1-CG2 3.53Å; I84-I103 HydrophobicContact CG1-CG2 4.25Å; I84-V104 HydrophobicContact CD1-CB 4.47Å; I84-V104 HydrophobicContact CD1-CG2 3.37Å; I84-F157 HydrophobicContact CG2-CB 4.26Å; I84-F157 HydrophobicContact CG2-CD2 4.39Å; I84-Y159 HydrophobicContact CD1-CD2 4.28Å; I84-Y159 HydrophobicContact CD1-CE2 4.3Å; I84-Y159 HydrophobicContact CG1-CD2 3.72Å; I84-Y159 HydrophobicContact CG1-CE2 3.93Å
85	T	87.8	Confident	84.6	Confident	4 Å²	4	60.1 Å²	60.1	3%	0.025	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	121.5	174.4	-64	0	0	0	0	108.7	E74 Y87 F157 R158 E160	E74-T85 HydrophobicContact CG-CG2 3.3Å; E74-T85 WeakPolarHBondContact OE1-CG2 3.33Å; T85-Y87 HydrophobicContact CG2-CE2 3.94Å; T85-F157 CarbonylContact O-C 3.59Å; T85-F157 VanDerWaalsContact O-CA 3.22Å; T85-F157 WeakPolarHBondContact O-CA 3.28Å; T85-R158 PolarHBondContact N-O 3.49Å; T85-R158 PolarHBondContact O-N 2.71Å; T85-E160 PolarHBondContact OG1-OE1 3.29Å
86	I	87.8	Confident	85.3	Confident	4 Å²	4	56.5 Å²	56.5	2%	0.021	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	129.2	-178	-62.4	172.4	0	0	0	108.7	F73 E74 R75 L77 I84 I100 F155	F73-I86 VanDerWaalsContact O-O 3.13Å; E74-I86 CarbonylContact C-O 3.48Å; E74-I86 WeakPolarHBondContact CA-O 3.28Å; R75-I86 HydrophobicContact CB-CB 4.42Å; R75-I86 PolarHBondContact N-O 3.48Å; R75-I86 PolarHBondContact O-N 2.75Å; L77-I86 HydrophobicContact CD1-CD1 4Å; L77-I86 HydrophobicContact CD2-CD1 3.71Å; L77-I86 HydrophobicContact CG-CD1 3.9Å; L77-I86 HydrophobicContact CG-CG1 4.48Å; I84-I86 HydrophobicContact CG2-CG1 4.16Å; I86-I100 HydrophobicContact CD1-CD1 3.72Å; I86-I100 HydrophobicContact CD1-CG1 3.99Å; I86-F155 HydrophobicContact CD1-CE2 3.85Å; I86-F155 HydrophobicContact CD1-CZ 3.78Å; I86-F155 HydrophobicContact CG1-CE2 4.21Å; I86-F155 HydrophobicContact CG1-CZ 3.88Å; I86-F155 HydrophobicContact CG2-CE2 4.23Å
87	Y	85.5	Confident	85.9	Confident	16 Å²	16	57 Å²	57	6%	0.063	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	-27.3	-179.3	-73.2	-89.9	0	0	0	113.2	I70 F73 T85 V142 C156 R158 I165	I70-Y87 HydrophobicContact CG2-CD1 3.46Å; I70-Y87 VanDerWaalsContact CG2-CD1 3.46Å; I70-Y87 HydrophobicContact CG2-CE1 3.32Å; F73-Y87 WeakPolarHBondContact CB-O 3.41Å; T85-Y87 HydrophobicContact CG2-CE2 3.94Å; Y87-V142 HydrophobicContact CG-CG1 4.44Å; Y87-C156 PolarHBondContact N-O 2.55Å; Y87-R158 HydrophobicContact CD2-CB 4.38Å; Y87-R158 HydrophobicContact CE2-CB 3.53Å; Y87-R158 PolarHBondContact OH-NE 3.37Å; Y87-R158 PolarHBondContact OH-NH1 2.76Å; Y87-R158 PolarHBondContact OH-NH2 3.39Å; Y87-I165 HydrophobicContact CD1-CD1 4.27Å; Y87-I165 HydrophobicContact CD2-CD1 4.19Å; Y87-I165 HydrophobicContact CD2-CG1 4.31Å; Y87-I165 HydrophobicContact CD2-CG2 4.27Å; Y87-I165 HydrophobicContact CE1-CD1 4.09Å; Y87-I165 HydrophobicContact CE2-CD1 4.07Å; Y87-I165 HydrophobicContact CE2-CG1 4.05Å; Y87-I165 HydrophobicContact CG-CD1 4.27Å
88	F	85.4	Confident	86.5	Confident	43 Å²	43	57.9 Å²	57.9	19%	0.189	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	140.9	178.5	-179.7	-103.7	0	0	0	109.5	D90 V142 I145 T154 C156	F88-D90 HydrophobicContact CE1-CB 4.07Å; F88-D90 HydrophobicContact CZ-CB 3.89Å; F88-V142 HydrophobicContact CB-CG1 4.28Å; F88-I145 HydrophobicContact CE1-CD1 4.32Å; F88-I145 HydrophobicContact CE1-CG1 4.45Å; F88-I145 HydrophobicContact CZ-CD1 4.14Å; F88-T154 HydrophobicContact CD1-CG2 3.83Å; F88-T154 HydrophobicContact CE1-CG2 3.92Å; F88-C156 HydrophobicContact CB-CB 4.09Å; F88-C156 PolarHBondContact N-O 3.48Å; F88-C156 PolarHBondContact O-N 2.93Å
89	S	88.1	Confident	87.2	Confident	31 Å²	31	54.5 Å²	54.5	22%	0.217	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	130.7	169.2	177.2	0	0	0	0	108.2	M91 E96 T154	S89-M91 PolarHBondContact OG-N 3.33Å; S89-E96 WeakPolarHBondContact CB-OE2 3.28Å; S89-E96 PolarHBondContact OG-OE2 3.36Å; S89-T154 WeakPolarHBondContact CA-O 3.29Å
90	D	87.9	Confident	88	Confident	37 Å²	37	49.3 Å²	49.3	20%	0.198	26%	0.255	C	S	.	.			trans	-109.9	6.6	168.8	75.2	-20.8	0	0	0	112.4	F88 K152 S153 T154	F88-D90 HydrophobicContact CE1-CB 4.07Å; F88-D90 HydrophobicContact CZ-CB 3.89Å; D90-K152 VanDerWaalsContact O-CA 3.27Å; D90-K152 WeakPolarHBondContact O-CA 3.44Å; D90-K152 WeakPolarHBondContact OD1-CA 3.39Å; D90-K152 WeakPolarHBondContact OD2-CA 3.46Å; D90-K152 PolarHBondContact OD2-N 3.32Å; D90-S153 PolarHBondContact OD1-N 3.08Å; D90-T154 PolarHBondContact N-O 3.3Å; D90-T154 VanDerWaalsContact N-O 3.13Å; D90-T154 WeakPolarHBondContact OD1-CA 2.93Å; D90-T154 WeakPolarHBondContact OD1-CB 3.06Å; D90-T154 PolarHBondContact OD1-N 3.19Å
91	M	89.9	Confident	88.8	Confident	16 Å²	16	45.4 Å²	45.4	8%	0.079	24%	0.239	C	C	.	.	S	Bend	trans	-68.7	159.8	179.6	-64.7	-178.5	174.9	0	0	112.1	S89 L95 E96 W131 S153 F155 F168	S89-M91 PolarHBondContact OG-N 3.33Å; M91-L95 HydrophobicContact CB-CB 4.45Å; M91-L95 HydrophobicContact CB-CD2 4.41Å; M91-L95 HydrophobicContact CB-CG 4.43Å; M91-L95 HydrophobicContact CE-CD2 4.49Å; M91-L95 HydrophobicContact CG-CD2 4.15Å; M91-L95 HydrophobicContact CG-CG 4.37Å; M91-L95 HydrophobicContact SD-CD2 3.96Å; M91-L95 HydrophobicContact SD-CG 3.73Å; M91-E96 HydrophobicContact CB-CB 4.26Å; M91-W131 HydrophobicContact CE-CH2 3.81Å; M91-W131 HydrophobicContact CE-CZ3 3.6Å; M91-S153 VanDerWaalsContact CE-C 3.49Å; M91-S153 WeakPolarHBondContact CE-O 3.4Å; M91-F155 HydrophobicContact CE-CB 3.44Å; M91-F155 VanDerWaalsContact CE-CB 3.44Å; M91-F155 HydrophobicContact SD-CB 3.69Å; M91-F155 HydrophobicContact SD-CD2 4.41Å; M91-F155 HydrophobicContact SD-CG 4.38Å; M91-F168 HydrophobicContact CE-CB 4.43Å
92	D	91.6	Very high	89.7	Confident	78 Å²	78	45.1 Å²	45.1	42%	0.417	24%	0.238	S	C	.	.			trans	-68.1	154.5	164.6	61.6	-40.5	0	0	0	111.2	D94 L95 E96	D92-D94 VanDerWaalsContact C-N 3.25Å; D92-D94 PolarHBondContact O-N 2.97Å; D92-L95 PolarHBondContact O-N 2.82Å; D92-L95 WeakPolarHBondContact OD1-CB 3.41Å; D92-E96 WeakPolarHBondContact O-CB 3.2Å; D92-E96 PolarHBondContact O-N 2.89Å
93	C	91.9	Very high	90.7	Very high	103 Å²	103	40.5 Å²	40.5	70%	0.696	21%	0.208	S	C	*	.	H	α-helix	trans	-57.2	-37.2	-172.3	-62.2	0	0	0	0	113.2	R97	C93-R97 VanDerWaalsContact O-CB 3.22Å; C93-R97 WeakPolarHBondContact O-CB 3.2Å; C93-R97 PolarHBondContact O-N 2.81Å
94	D	93.3	Very high	91	Very high	125 Å²	125	41.1 Å²	41.1	67%	0.668	21%	0.21	S	C	*	.	H	α-helix	trans	-70.7	-43.4	-177.7	-70.7	-30.2	0	0	0	111.8	D92 R97 K98	D92-D94 VanDerWaalsContact C-N 3.25Å; D92-D94 PolarHBondContact O-N 2.97Å; D94-R97 PolarHBondContact O-N 3.29Å; D94-K98 WeakPolarHBondContact O-CB 3.37Å; D94-K98 PolarHBondContact O-N 3.25Å
95	L	94.1	Very high	91.2	Very high	4 Å²	4	48.7 Å²	48.7	2%	0.021	24%	0.243	C	C	.	.	H	α-helix	trans	-67.7	-43.6	175.9	-179.7	53.1	0	0	0	111.5	M91 D92 R97 K98 C99 L123 Y127 W131	M91-L95 HydrophobicContact CB-CB 4.45Å; M91-L95 HydrophobicContact CB-CD2 4.41Å; M91-L95 HydrophobicContact CB-CG 4.43Å; M91-L95 HydrophobicContact CE-CD2 4.49Å; M91-L95 HydrophobicContact CG-CD2 4.15Å; M91-L95 HydrophobicContact CG-CG 4.37Å; M91-L95 HydrophobicContact SD-CD2 3.96Å; M91-L95 HydrophobicContact SD-CG 3.73Å; D92-L95 PolarHBondContact O-N 2.82Å; D92-L95 WeakPolarHBondContact OD1-CB 3.41Å; L95-R97 VanDerWaalsContact C-N 3.3Å; L95-R97 PolarHBondContact O-N 2.9Å; L95-K98 WeakPolarHBondContact O-CA 2.99Å; L95-K98 WeakPolarHBondContact O-CB 3.22Å; L95-K98 PolarHBondContact O-N 3.05Å; L95-K98 VanDerWaalsContact O-N 3.11Å; L95-C99 PolarHBondContact O-N 3.26Å; L95-C99 PolarHBondContact O-SG 3.18Å; L95-L123 HydrophobicContact CD1-CD2 3.64Å; L95-Y127 HydrophobicContact CD1-CD2 4.13Å; L95-Y127 HydrophobicContact CD1-CE1 4.11Å; L95-Y127 HydrophobicContact CD1-CE2 3.64Å; L95-Y127 HydrophobicContact CD2-CD1 4.3Å; L95-Y127 HydrophobicContact CD2-CE1 4.29Å; L95-W131 HydrophobicContact CD2-CH2 4.06Å; L95-W131 HydrophobicContact CD2-CZ2 4.43Å
96	E	93.1	Very high	91.4	Very high	26 Å²	26	55.6 Å²	55.6	12%	0.121	27%	0.268	C	S	.	.	H	α-helix	trans	-56.8	-47.3	175.4	-175.1	-179	95.7	0	0	111	R75 S89 M91 D92 K98 C99 I100 F155	R75-E96 IonicContact CZ-OE1 2.76Å; R75-E96 IonicContact NH1-OE1 3.5Å; R75-E96 PolarHBondContact NH1-OE1 3.24Å; R75-E96 IonicContact NH1-OE2 2.73Å; R75-E96 IonicContact NH2-OE1 2.76Å; R75-E96 PolarHBondContact NH2-OE1 2.92Å; R75-E96 IonicContact NH2-OE2 2.94Å; R75-E96 PolarHBondContact NH2-OE2 2.71Å; S89-E96 WeakPolarHBondContact CB-OE2 3.28Å; S89-E96 PolarHBondContact OG-OE2 3.36Å; M91-E96 HydrophobicContact CB-CB 4.26Å; D92-E96 WeakPolarHBondContact O-CB 3.2Å; D92-E96 PolarHBondContact O-N 2.89Å; E96-K98 VanDerWaalsContact C-N 3.31Å; E96-K98 PolarHBondContact O-N 3.45Å; E96-C99 WeakPolarHBondContact O-CB 3.07Å; E96-C99 PolarHBondContact O-N 3.32Å; E96-I100 HydrophobicContact CG-CD1 4.09Å; E96-I100 WeakPolarHBondContact O-CG1 3.43Å; E96-I100 PolarHBondContact O-N 2.76Å; E96-F155 HydrophobicContact CG-CD2 4.04Å; E96-F155 HydrophobicContact CG-CE2 3.71Å
97	R	92.7	Very high	91.6	Very high	154 Å²	154	56.6 Å²	56.6	58%	0.581	27%	0.272	S	S	*	.	H	α-helix	trans	-61.2	-40.7	176	-175.1	173.5	-175.6	-105.8	-0.6	111.6	C93 D94 L95 I100 L101	C93-R97 VanDerWaalsContact O-CB 3.22Å; C93-R97 WeakPolarHBondContact O-CB 3.2Å; C93-R97 PolarHBondContact O-N 2.81Å; D94-R97 PolarHBondContact O-N 3.29Å; L95-R97 VanDerWaalsContact C-N 3.3Å; L95-R97 PolarHBondContact O-N 2.9Å; R97-I100 PolarHBondContact O-N 3.01Å; R97-L101 HydrophobicContact CG-CD1 4.07Å; R97-L101 HydrophobicContact CG-CG 4.41Å; R97-L101 WeakPolarHBondContact O-CB 3.31Å; R97-L101 VanDerWaalsContact O-CG 3.29Å; R97-L101 WeakPolarHBondContact O-CG 3.44Å; R97-L101 PolarHBondContact O-N 3.23Å
98	K	94.5	Very high	91.8	Very high	45 Å²	45	60.5 Å²	60.5	20%	0.196	29%	0.291	C	S	.	.	H	α-helix	trans	-60.1	-44.8	174.7	-178.3	176.4	178.3	166.5	0	111.4	D94 L95 E96 L101 Y102 F119 E122 D126 Y127	D94-K98 WeakPolarHBondContact O-CB 3.37Å; D94-K98 PolarHBondContact O-N 3.25Å; L95-K98 WeakPolarHBondContact O-CA 2.99Å; L95-K98 WeakPolarHBondContact O-CB 3.22Å; L95-K98 PolarHBondContact O-N 3.05Å; L95-K98 VanDerWaalsContact O-N 3.11Å; E96-K98 VanDerWaalsContact C-N 3.31Å; E96-K98 PolarHBondContact O-N 3.45Å; K98-L101 PolarHBondContact O-N 3.31Å; K98-Y102 WeakPolarHBondContact O-CB 3.44Å; K98-Y102 PolarHBondContact O-N 2.88Å; K98-F119 HydrophobicContact CG-CE2 4.12Å; K98-F119 HydrophobicContact CG-CZ 4.29Å; K98-E122 WeakPolarHBondContact CE-OE1 3.38Å; K98-E122 IonicContact NZ-OE1 3.49Å; K98-E122 PolarHBondContact NZ-OE1 2.91Å; K98-D126 IonicContact NZ-OD2 3.18Å; K98-D126 PolarHBondContact NZ-OD2 2.98Å; K98-Y127 HydrophobicContact CD-CE2 4.37Å
99	C	94	Very high	91.8	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-59.1	-50.4	175.3	-64.5	0	0	0	0	111.6	L95 E96 L101 Y102 I103 F119 F155	L95-C99 PolarHBondContact O-N 3.26Å; L95-C99 PolarHBondContact O-SG 3.18Å; E96-C99 WeakPolarHBondContact O-CB 3.07Å; E96-C99 PolarHBondContact O-N 3.32Å; C99-L101 PolarHBondContact O-N 3.06Å; C99-Y102 PolarHBondContact O-N 3.39Å; C99-I103 WeakPolarHBondContact O-CD1 3.25Å; C99-I103 VanDerWaalsContact O-CG1 3.23Å; C99-I103 WeakPolarHBondContact O-CG1 3.15Å; C99-I103 PolarHBondContact O-N 2.76Å; C99-F119 HydrophobicContact CB-CE1 4.09Å; C99-F119 HydrophobicContact CB-CZ 4.19Å; C99-F155 HydrophobicContact CB-CD1 4.3Å; C99-F155 HydrophobicContact CB-CE1 4.33Å; C99-F155 HydrophobicContact CB-CG 4.43Å
100	I	92.9	Very high	91.8	Very high	12 Å²	12	69.2 Å²	69.2	6%	0.062	33%	0.328	C	S	.	.	H	α-helix	trans	-56.3	-53	179	-67.7	163.1	0	0	0	110.5	L77 Y81 I86 E96 R97 Y102 I103 V104 F155	L77-I100 HydrophobicContact CD1-CB 4.41Å; L77-I100 HydrophobicContact CD1-CD1 4.05Å; L77-I100 HydrophobicContact CD1-CG1 4.04Å; L77-I100 HydrophobicContact CD1-CG2 3.49Å; L77-I100 VanDerWaalsContact CD1-CG2 3.49Å; L77-I100 HydrophobicContact CD2-CD1 3.88Å; Y81-I100 HydrophobicContact CD2-CG2 4.4Å; Y81-I100 HydrophobicContact CG-CG2 4.38Å; I86-I100 HydrophobicContact CD1-CD1 3.72Å; I86-I100 HydrophobicContact CD1-CG1 3.99Å; E96-I100 HydrophobicContact CG-CD1 4.09Å; E96-I100 WeakPolarHBondContact O-CG1 3.43Å; E96-I100 PolarHBondContact O-N 2.76Å; R97-I100 PolarHBondContact O-N 3.01Å; I100-Y102 VanDerWaalsContact C-N 3.28Å; I100-Y102 PolarHBondContact O-N 3.15Å; I100-I103 PolarHBondContact O-N 3.37Å; I100-V104 HydrophobicContact CG2-CG2 4.28Å; I100-V104 WeakPolarHBondContact O-CG2 3.21Å; I100-V104 PolarHBondContact O-N 3.38Å; I100-F155 HydrophobicContact CG1-CE2 4.22Å; I100-F155 HydrophobicContact CG1-CZ 3.84Å
101	L	92.9	Very high	92	Very high	69 Å²	69	70.6 Å²	70.6	36%	0.361	34%	0.336	S	S	.	.	H	α-helix	trans	-60.8	-37.5	-177.9	-71.5	173.9	0	0	0	112.5	Y81 R97 K98 C99 K105	Y81-L101 HydrophobicContact CE1-CD2 4.25Å; Y81-L101 WeakPolarHBondContact OH-CD2 3.13Å; R97-L101 HydrophobicContact CG-CD1 4.07Å; R97-L101 HydrophobicContact CG-CG 4.41Å; R97-L101 WeakPolarHBondContact O-CB 3.31Å; R97-L101 VanDerWaalsContact O-CG 3.29Å; R97-L101 WeakPolarHBondContact O-CG 3.44Å; R97-L101 PolarHBondContact O-N 3.23Å; K98-L101 PolarHBondContact O-N 3.31Å; C99-L101 PolarHBondContact O-N 3.06Å; L101-K105 WeakPolarHBondContact O-CB 3.38Å; L101-K105 PolarHBondContact O-N 3.06Å
102	Y	95.1	Very high	92.1	Very high	39 Å²	39	70.5 Å²	70.5	15%	0.153	34%	0.336	C	S	.	.	H	α-helix	trans	-65.6	-50.3	176.4	-167.1	-74.3	0	0	0	111.2	K98 C99 I100 V104 K105 R106 M116 P118 F119	K98-Y102 WeakPolarHBondContact O-CB 3.44Å; K98-Y102 PolarHBondContact O-N 2.88Å; C99-Y102 PolarHBondContact O-N 3.39Å; I100-Y102 VanDerWaalsContact C-N 3.28Å; I100-Y102 PolarHBondContact O-N 3.15Å; Y102-V104 PolarHBondContact O-N 2.76Å; Y102-K105 PolarHBondContact O-N 3.44Å; Y102-K105 VanDerWaalsContact O-N 3.12Å; Y102-R106 HydrophobicContact CD1-CB 3.84Å; Y102-R106 HydrophobicContact CD1-CG 4.09Å; Y102-R106 HydrophobicContact CE1-CB 3.43Å; Y102-R106 VanDerWaalsContact CE1-CB 3.43Å; Y102-R106 HydrophobicContact CE1-CG 3.68Å; Y102-R106 HydrophobicContact CE2-CG 4.3Å; Y102-R106 WeakPolarHBondContact O-CB 3.26Å; Y102-R106 PolarHBondContact O-N 2.98Å; Y102-M116 HydrophobicContact CD1-CE 3.59Å; Y102-M116 HydrophobicContact CD1-SD 4.09Å; Y102-M116 HydrophobicContact CE1-CE 3.95Å; Y102-M116 HydrophobicContact CE1-SD 4.16Å; Y102-P118 WeakPolarHBondContact OH-CB 3.44Å; Y102-F119 HydrophobicContact CD1-CB 3.77Å; Y102-F119 HydrophobicContact CD1-CD1 4.33Å; Y102-F119 HydrophobicContact CD1-CD2 4.05Å; Y102-F119 AromaticContact CD1-CG 3.79Å; Y102-F119 HydrophobicContact CD1-CG 3.79Å; Y102-F119 HydrophobicContact CD2-CB 4.04Å; Y102-F119 AromaticContact CD2-CD2 3.16Å; Y102-F119 HydrophobicContact CD2-CD2 3.16Å; Y102-F119 AromaticContact CD2-CE2 3.79Å; Y102-F119 HydrophobicContact CD2-CE2 3.79Å; Y102-F119 AromaticContact CD2-CG 3.77Å; Y102-F119 HydrophobicContact CD2-CG 3.77Å; Y102-F119 HydrophobicContact CE1-CB 3.53Å; Y102-F119 HydrophobicContact CE1-CD2 4.45Å; Y102-F119 HydrophobicContact CE1-CG 4.09Å; Y102-F119 HydrophobicContact CE2-CB 3.78Å; Y102-F119 AromaticContact CE2-CD2 3.63Å; Y102-F119 HydrophobicContact CE2-CD2 3.63Å; Y102-F119 HydrophobicContact CE2-CG 4.03Å; Y102-F119 HydrophobicContact CG-CB 4.01Å; Y102-F119 HydrophobicContact CG-CD1 4.27Å; Y102-F119 AromaticContact CG-CD2 3.39Å; Y102-F119 HydrophobicContact CG-CD2 3.39Å; Y102-F119 AromaticContact CG-CE2 3.87Å; Y102-F119 HydrophobicContact CG-CE2 3.87Å; Y102-F119 AromaticContact CG-CG 3.62Å; Y102-F119 HydrophobicContact CG-CG 3.62Å; Y102-F119 HydrophobicContact CG-CZ 4.49Å; Y102-F119 PolarHBondContact OH-N 2.61Å
103	I	93.7	Very high	92.2	Very high	0 Å²	0	71.4 Å²	71.4	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-56.9	-51.6	-178.7	-65.5	159.5	0	0	0	109.4	I84 C99 I100 K105 R106 W107 M116 F155 F157 Y159 F168	I84-I103 HydrophobicContact CD1-CB 3.98Å; I84-I103 HydrophobicContact CD1-CG2 3.53Å; I84-I103 HydrophobicContact CG1-CG2 4.25Å; C99-I103 WeakPolarHBondContact O-CD1 3.25Å; C99-I103 VanDerWaalsContact O-CG1 3.23Å; C99-I103 WeakPolarHBondContact O-CG1 3.15Å; C99-I103 PolarHBondContact O-N 2.76Å; I100-I103 PolarHBondContact O-N 3.37Å; I103-K105 PolarHBondContact O-N 2.84Å; I103-K105 VanDerWaalsContact O-N 3.13Å; I103-R106 PolarHBondContact O-N 3.32Å; I103-W107 HydrophobicContact CG2-CB 4.15Å; I103-W107 HydrophobicContact CG2-CD2 4.36Å; I103-W107 HydrophobicContact CG2-CE3 4.03Å; I103-W107 HydrophobicContact CG2-CG 4.45Å; I103-W107 WeakPolarHBondContact O-CB 3.39Å; I103-W107 PolarHBondContact O-N 2.89Å; I103-M116 HydrophobicContact CG1-CE 3.94Å; I103-M116 HydrophobicContact CG1-SD 4.27Å; I103-F155 HydrophobicContact CD1-CD1 4.38Å; I103-F155 HydrophobicContact CD1-CE1 3.67Å; I103-F157 HydrophobicContact CD1-CD1 3.94Å; I103-F157 HydrophobicContact CD1-CD2 4.06Å; I103-F157 HydrophobicContact CD1-CE1 3.71Å; I103-F157 HydrophobicContact CD1-CE2 3.83Å; I103-F157 HydrophobicContact CD1-CG 4.11Å; I103-F157 HydrophobicContact CD1-CZ 3.63Å; I103-F157 HydrophobicContact CG1-CE2 4.24Å; I103-F157 HydrophobicContact CG1-CZ 4.03Å; I103-F157 HydrophobicContact CG2-CD2 4.25Å; I103-F157 HydrophobicContact CG2-CE2 3.67Å; I103-F157 HydrophobicContact CG2-CZ 4.24Å; I103-Y159 HydrophobicContact CG2-CD2 3.84Å; I103-Y159 HydrophobicContact CG2-CE2 4.26Å; I103-F168 HydrophobicContact CD1-CE2 4.19Å
104	V	91.1	Very high	92.3	Very high	55 Å²	55	70.9 Å²	70.9	33%	0.333	33%	0.33	S	S	.	.	H	α-helix	trans	-53.8	-39.2	179.2	174.9	0	0	0	0	112.1	Y81 I84 I100 Y102	Y81-V104 HydrophobicContact CD1-CB 4.24Å; Y81-V104 HydrophobicContact CD1-CG1 3.98Å; Y81-V104 HydrophobicContact CD1-CG2 3.38Å; Y81-V104 HydrophobicContact CE1-CG1 4.33Å; Y81-V104 HydrophobicContact CE1-CG2 4.01Å; Y81-V104 HydrophobicContact CG-CG2 4.14Å; I84-V104 HydrophobicContact CD1-CB 4.47Å; I84-V104 HydrophobicContact CD1-CG2 3.37Å; I100-V104 HydrophobicContact CG2-CG2 4.28Å; I100-V104 WeakPolarHBondContact O-CG2 3.21Å; I100-V104 PolarHBondContact O-N 3.38Å; Y102-V104 PolarHBondContact O-N 2.76Å
105	K	91.7	Very high	92.3	Very high	162 Å²	162	65.7 Å²	65.7	70%	0.704	30%	0.304	S	S	*	.	H	α-helix	trans	-83.6	-31.8	-174.2	-175.2	174	-179.1	175.7	0	113.9	L101 Y102 I103	L101-K105 WeakPolarHBondContact O-CB 3.38Å; L101-K105 PolarHBondContact O-N 3.06Å; Y102-K105 PolarHBondContact O-N 3.44Å; Y102-K105 VanDerWaalsContact O-N 3.12Å; I103-K105 PolarHBondContact O-N 2.84Å; I103-K105 VanDerWaalsContact O-N 3.13Å
106	R	92.9	Very high	92.4	Very high	148 Å²	148	65.5 Å²	65.5	56%	0.558	30%	0.303	S	S	*	.	H	α-helix	trans	-122.5	-10.9	-164.7	-64.5	-63.1	-165.8	165.4	3.1	114.3	Y102 I103 H108 S115	Y102-R106 HydrophobicContact CD1-CB 3.84Å; Y102-R106 HydrophobicContact CD1-CG 4.09Å; Y102-R106 HydrophobicContact CE1-CB 3.43Å; Y102-R106 VanDerWaalsContact CE1-CB 3.43Å; Y102-R106 HydrophobicContact CE1-CG 3.68Å; Y102-R106 HydrophobicContact CE2-CG 4.3Å; Y102-R106 WeakPolarHBondContact O-CB 3.26Å; Y102-R106 PolarHBondContact O-N 2.98Å; I103-R106 PolarHBondContact O-N 3.32Å; R106-H108 PolarHBondContact O-N 3.08Å; R106-S115 VanDerWaalsContact O-CB 3.31Å; R106-S115 WeakPolarHBondContact O-CB 3.25Å
107	W	91.4	Very high	92.5	Very high	26 Å²	26	66.9 Å²	66.9	10%	0.098	32%	0.315	C	S	.	.			trans	-55.5	128.2	-176.7	-176.4	-99.9	0	0	0	112	I103 P112 M116 F133 F157 Y159 Y166	I103-W107 HydrophobicContact CG2-CB 4.15Å; I103-W107 HydrophobicContact CG2-CD2 4.36Å; I103-W107 HydrophobicContact CG2-CE3 4.03Å; I103-W107 HydrophobicContact CG2-CG 4.45Å; I103-W107 WeakPolarHBondContact O-CB 3.39Å; I103-W107 PolarHBondContact O-N 2.89Å; W107-P112 HydrophobicContact CH2-CB 3.44Å; W107-P112 VanDerWaalsContact CH2-CB 3.44Å; W107-P112 HydrophobicContact CZ2-CB 3.78Å; W107-P112 HydrophobicContact CZ3-CB 3.94Å; W107-M116 HydrophobicContact CE3-CG 4.11Å; W107-M116 HydrophobicContact CE3-SD 3.97Å; W107-M116 HydrophobicContact CZ3-CG 3.88Å; W107-M116 HydrophobicContact CZ3-SD 4.27Å; W107-F133 HydrophobicContact CH2-CZ 4.16Å; W107-F133 AromaticContact CZ3-CZ 3.9Å; W107-F133 HydrophobicContact CZ3-CZ 3.9Å; W107-F157 HydrophobicContact CE3-CE2 4.12Å; W107-F157 HydrophobicContact CE3-CZ 4.14Å; W107-F157 HydrophobicContact CH2-CE2 4.06Å; W107-F157 HydrophobicContact CH2-CZ 4.01Å; W107-F157 AromaticContact CZ3-CE2 3.77Å; W107-F157 HydrophobicContact CZ3-CE2 3.77Å; W107-F157 AromaticContact CZ3-CZ 3.52Å; W107-F157 HydrophobicContact CZ3-CZ 3.52Å; W107-Y159 HydrophobicContact CB-CD2 4.05Å; W107-Y159 HydrophobicContact CB-CE2 3.86Å; W107-Y159 AromaticContact CD1-CD1 3.37Å; W107-Y159 AromaticContact CD1-CD2 3.56Å; W107-Y159 AromaticContact CD1-CE1 3.56Å; W107-Y159 AromaticContact CD1-CE2 3.75Å; W107-Y159 AromaticContact CD1-CG 3.35Å; W107-Y159 AromaticContact CD1-CZ 3.75Å; W107-Y159 HydrophobicContact CD2-CD2 4.02Å; W107-Y159 HydrophobicContact CD2-CG 4.06Å; W107-Y159 AromaticContact CE2-CG 3.76Å; W107-Y159 HydrophobicContact CG-CD1 4.24Å; W107-Y159 AromaticContact CG-CD2 3.6Å; W107-Y159 HydrophobicContact CG-CD2 3.6Å; W107-Y159 HydrophobicContact CG-CE1 4.42Å; W107-Y159 AromaticContact CG-CE2 3.82Å; W107-Y159 HydrophobicContact CG-CE2 3.82Å; W107-Y159 AromaticContact CG-CG 3.82Å; W107-Y159 HydrophobicContact CG-CG 3.82Å; W107-Y159 AromaticContact NE1-CD1 3.38Å; W107-Y159 AromaticContact NE1-CD2 3.92Å; W107-Y159 AromaticContact NE1-CG 3.29Å; W107-Y159 VanDerWaalsContact NE1-CG 3.29Å; W107-Y166 AromaticContact CH2-CD1 3.84Å; W107-Y166 HydrophobicContact CH2-CD1 3.84Å; W107-Y166 AromaticContact CH2-CD2 3.42Å; W107-Y166 HydrophobicContact CH2-CD2 3.42Å; W107-Y166 VanDerWaalsContact CH2-CD2 3.42Å; W107-Y166 AromaticContact CH2-CE1 3.8Å; W107-Y166 HydrophobicContact CH2-CE1 3.8Å; W107-Y166 AromaticContact CH2-CE2 3.39Å; W107-Y166 HydrophobicContact CH2-CE2 3.39Å; W107-Y166 AromaticContact CH2-CG 3.65Å; W107-Y166 HydrophobicContact CH2-CG 3.65Å; W107-Y166 AromaticContact CH2-CZ 3.58Å; W107-Y166 AromaticContact CZ2-CD2 3.85Å; W107-Y166 HydrophobicContact CZ2-CD2 3.85Å; W107-Y166 HydrophobicContact CZ2-CE1 4.35Å; W107-Y166 AromaticContact CZ2-CE2 3.41Å; W107-Y166 HydrophobicContact CZ2-CE2 3.41Å; W107-Y166 VanDerWaalsContact CZ2-CE2 3.41Å; W107-Y166 HydrophobicContact CZ2-CG 4.49Å; W107-Y166 AromaticContact CZ2-CZ 3.69Å; W107-Y166 HydrophobicContact CZ3-CD2 4.47Å; W107-Y166 HydrophobicContact CZ3-CG 4.46Å
108	H	90.3	Very high	92.6	Very high	97 Å²	97	62.9 Å²	62.9	45%	0.449	31%	0.309	S	S	.	.			trans	-118.7	116.2	170.8	-162	-79.5	0	0	0	109.4	R106 D110 D111 P112 S115	R106-H108 PolarHBondContact O-N 3.08Å; H108-D110 VanDerWaalsContact C-N 3.33Å; H108-D110 IonicContact CE1-OD2 3.83Å; H108-D110 PolarHBondContact ND1-N 3.28Å; H108-D110 PolarHBondContact O-N 2.89Å; H108-D111 PolarHBondContact ND1-N 2.96Å; H108-D111 CarbonylContact O-C 3.14Å; H108-D111 PolarHBondContact O-N 3.13Å; H108-D111 VanDerWaalsContact O-N 3.15Å; H108-P112 WeakPolarHBondContact O-CA 3.02Å; H108-P112 VanDerWaalsContact O-N 3.1Å; H108-S115 PolarHBondContact N-OG 2.89Å
109	R	85.2	Confident	92.8	Very high	115 Å²	115	60.7 Å²	60.7	43%	0.434	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-40.2	-174.2	-173.5	-179.2	-174.9	-176.3	0.8	112.9	D111	R109-D111 VanDerWaalsContact C-N 3.27Å; R109-D111 PolarHBondContact O-N 2.82Å
110	D	87.9	Confident	92.8	Very high	142 Å²	142	62.1 Å²	62.1	76%	0.759	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-14.2	-178.5	-50.7	-45.6	0	0	0	112.4	H108	H108-D110 VanDerWaalsContact C-N 3.33Å; H108-D110 IonicContact CE1-OD2 3.83Å; H108-D110 PolarHBondContact ND1-N 3.28Å; H108-D110 PolarHBondContact O-N 2.89Å
111	D	91.7	Very high	92.9	Very high	67 Å²	67	66.1 Å²	66.1	36%	0.358	33%	0.328	S	S	.	.			trans	-145.3	67	-179.5	-157.8	-16	0	0	0	112.3	H108 R109 F113 V114 S115	H108-D111 PolarHBondContact ND1-N 2.96Å; H108-D111 CarbonylContact O-C 3.14Å; H108-D111 PolarHBondContact O-N 3.13Å; H108-D111 VanDerWaalsContact O-N 3.15Å; R109-D111 VanDerWaalsContact C-N 3.27Å; R109-D111 PolarHBondContact O-N 2.82Å; D111-F113 VanDerWaalsContact C-N 3.28Å; D111-F113 PolarHBondContact O-N 3.19Å; D111-V114 HydrophobicContact CB-CB 4.39Å; D111-V114 VanDerWaalsContact CG-CG2 3.41Å; D111-V114 WeakPolarHBondContact OD1-CB 3.39Å; D111-V114 WeakPolarHBondContact OD1-CG2 3.41Å; D111-V114 PolarHBondContact OD1-N 3.06Å; D111-V114 VanDerWaalsContact OD2-CB 3.25Å; D111-V114 WeakPolarHBondContact OD2-CB 3.32Å; D111-V114 WeakPolarHBondContact OD2-CG2 3.2Å; D111-S115 WeakPolarHBondContact O-CB 3.3Å; D111-S115 PolarHBondContact O-N 3.37Å; D111-S115 PolarHBondContact O-OG 3.1Å
112	P	92.1	Very high	93.1	Very high	13 Å²	13	65.4 Å²	65.4	8%	0.084	32%	0.323	C	S	.	.	H	α-helix	trans	-66.8	-31.6	-176.6	26.7	-34.8	0	0	0	111.6	W107 H108 S115 M116 F133 Y166	W107-P112 HydrophobicContact CH2-CB 3.44Å; W107-P112 VanDerWaalsContact CH2-CB 3.44Å; W107-P112 HydrophobicContact CZ2-CB 3.78Å; W107-P112 HydrophobicContact CZ3-CB 3.94Å; H108-P112 WeakPolarHBondContact O-CA 3.02Å; H108-P112 VanDerWaalsContact O-N 3.1Å; P112-S115 VanDerWaalsContact CA-OG 3.31Å; P112-S115 WeakPolarHBondContact CA-OG 3.5Å; P112-S115 PolarHBondContact O-OG 3.35Å; P112-M116 VanDerWaalsContact O-CB 3.25Å; P112-M116 WeakPolarHBondContact O-CB 3.31Å; P112-M116 WeakPolarHBondContact O-CG 3.48Å; P112-M116 PolarHBondContact O-N 2.66Å; P112-F133 HydrophobicContact CB-CE1 4.3Å; P112-Y166 HydrophobicContact CB-CE1 3.82Å; P112-Y166 HydrophobicContact CG-CE1 3.87Å
113	F	93.6	Very high	93.1	Very high	97 Å²	97	63.5 Å²	63.5	43%	0.425	32%	0.316	S	S	.	.	H	α-helix	trans	-74	-42	-178.7	-69.3	-83.9	0	0	0	111.9	D111 S117 F133 R135	D111-F113 VanDerWaalsContact C-N 3.28Å; D111-F113 PolarHBondContact O-N 3.19Å; F113-S117 WeakPolarHBondContact O-CB 3.37Å; F113-S117 PolarHBondContact O-N 3.36Å; F113-F133 AromaticContact CD1-CD1 3.66Å; F113-F133 HydrophobicContact CD1-CD1 3.66Å; F113-F133 HydrophobicContact CD1-CE1 4.14Å; F113-F133 AromaticContact CE1-CD1 3.89Å; F113-F133 HydrophobicContact CE1-CD1 3.89Å; F113-F133 HydrophobicContact CE1-CE1 4.31Å; F113-F133 HydrophobicContact CG-CD1 4.38Å; F113-F133 HydrophobicContact CG-CE1 4.5Å; F113-R135 HydrophobicContact CE2-CB 4.48Å; F113-R135 HydrophobicContact CZ-CB 3.97Å
114	V	93.6	Very high	93.1	Very high	93 Å²	93	66.6 Å²	66.6	56%	0.564	33%	0.33	S	S	*	.	H	α-helix	trans	-69.8	-42.3	175.5	174.7	0	0	0	0	110.8	D111 M116 S117 P118	D111-V114 HydrophobicContact CB-CB 4.39Å; D111-V114 VanDerWaalsContact CG-CG2 3.41Å; D111-V114 WeakPolarHBondContact OD1-CB 3.39Å; D111-V114 WeakPolarHBondContact OD1-CG2 3.41Å; D111-V114 PolarHBondContact OD1-N 3.06Å; D111-V114 VanDerWaalsContact OD2-CB 3.25Å; D111-V114 WeakPolarHBondContact OD2-CB 3.32Å; D111-V114 WeakPolarHBondContact OD2-CG2 3.2Å; V114-M116 VanDerWaalsContact C-N 3.28Å; V114-M116 PolarHBondContact O-N 3.01Å; V114-S117 PolarHBondContact O-N 2.81Å; V114-P118 VanDerWaalsContact O-CD 3.23Å; V114-P118 WeakPolarHBondContact O-CD 3.48Å
115	S	94	Very high	93.2	Very high	16 Å²	16	72.5 Å²	72.5	11%	0.112	35%	0.346	C	S	.	.	H	α-helix	trans	-64.7	-31	179	53.4	0	0	0	0	113.6	R106 H108 D111 P112	R106-S115 VanDerWaalsContact O-CB 3.31Å; R106-S115 WeakPolarHBondContact O-CB 3.25Å; H108-S115 PolarHBondContact N-OG 2.89Å; D111-S115 WeakPolarHBondContact O-CB 3.3Å; D111-S115 PolarHBondContact O-N 3.37Å; D111-S115 PolarHBondContact O-OG 3.1Å; P112-S115 VanDerWaalsContact CA-OG 3.31Å; P112-S115 WeakPolarHBondContact CA-OG 3.5Å; P112-S115 PolarHBondContact O-OG 3.35Å
116	M	95.1	Very high	93.3	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-91.5	-15.8	178.4	-64.4	-46.6	-56.1	0	0	114.5	Y102 I103 W107 P112 V114 F119 L120 F133 F168	Y102-M116 HydrophobicContact CD1-CE 3.59Å; Y102-M116 HydrophobicContact CD1-SD 4.09Å; Y102-M116 HydrophobicContact CE1-CE 3.95Å; Y102-M116 HydrophobicContact CE1-SD 4.16Å; I103-M116 HydrophobicContact CG1-CE 3.94Å; I103-M116 HydrophobicContact CG1-SD 4.27Å; W107-M116 HydrophobicContact CE3-CG 4.11Å; W107-M116 HydrophobicContact CE3-SD 3.97Å; W107-M116 HydrophobicContact CZ3-CG 3.88Å; W107-M116 HydrophobicContact CZ3-SD 4.27Å; P112-M116 VanDerWaalsContact O-CB 3.25Å; P112-M116 WeakPolarHBondContact O-CB 3.31Å; P112-M116 WeakPolarHBondContact O-CG 3.48Å; P112-M116 PolarHBondContact O-N 2.66Å; V114-M116 VanDerWaalsContact C-N 3.28Å; V114-M116 PolarHBondContact O-N 3.01Å; M116-F119 HydrophobicContact CE-CB 3.75Å; M116-F119 HydrophobicContact CE-CD1 3.42Å; M116-F119 VanDerWaalsContact CE-CD1 3.42Å; M116-F119 HydrophobicContact CE-CE1 4.32Å; M116-F119 HydrophobicContact CE-CG 3.89Å; M116-F119 WeakPolarHBondContact O-CA 3.23Å; M116-F119 VanDerWaalsContact O-CB 3.29Å; M116-F119 WeakPolarHBondContact O-CB 2.97Å; M116-F119 PolarHBondContact O-N 3.49Å; M116-L120 PolarHBondContact O-N 3Å; M116-F133 HydrophobicContact CB-CD1 4.04Å; M116-F133 HydrophobicContact CB-CE1 3.97Å; M116-F133 HydrophobicContact CB-CG 4.38Å; M116-F133 HydrophobicContact CB-CZ 4.22Å; M116-F133 HydrophobicContact CG-CD1 4.48Å; M116-F133 HydrophobicContact CG-CE1 3.93Å; M116-F133 HydrophobicContact CG-CE2 4.2Å; M116-F133 HydrophobicContact CG-CZ 3.77Å; M116-F168 HydrophobicContact CB-CE1 4.3Å; M116-F168 HydrophobicContact CB-CZ 4.04Å; M116-F168 HydrophobicContact CE-CE1 4.02Å; M116-F168 HydrophobicContact CE-CE2 3.9Å; M116-F168 HydrophobicContact CE-CZ 3.21Å; M116-F168 HydrophobicContact CG-CZ 3.91Å; M116-F168 HydrophobicContact SD-CZ 4.25Å
117	S	95.4	Very high	93.3	Very high	54 Å²	54	65.2 Å²	65.2	38%	0.378	32%	0.32	S	S	.	.	H	α-helix	trans	-54.8	-45.4	179.3	174.4	0	0	0	0	114	F113 V114 F119 L120 N121	F113-S117 WeakPolarHBondContact O-CB 3.37Å; F113-S117 PolarHBondContact O-N 3.36Å; V114-S117 PolarHBondContact O-N 2.81Å; S117-F119 PolarHBondContact O-N 2.64Å; S117-L120 WeakPolarHBondContact O-CB 3.44Å; S117-L120 PolarHBondContact O-N 3.13Å; S117-L120 VanDerWaalsContact O-N 3.16Å; S117-N121 PolarHBondContact O-N 3.46Å; S117-N121 PolarHBondContact O-ND2 2.97Å
118	P	96.5	Very high	93.2	Very high	70 Å²	70	65 Å²	65	46%	0.455	33%	0.327	S	S	.	.	H	α-helix	trans	-64.6	-28.7	177.1	-15.6	27.4	0	0	0	112.7	Y102 V114 N121 E122	Y102-P118 WeakPolarHBondContact OH-CB 3.44Å; V114-P118 VanDerWaalsContact O-CD 3.23Å; V114-P118 WeakPolarHBondContact O-CD 3.48Å; P118-N121 PolarHBondContact O-N 3.2Å; P118-E122 PolarHBondContact O-N 3.46Å; P118-E122 VanDerWaalsContact O-N 3.11Å
119	F	96.9	Very high	93.2	Very high	0 Å²	0	68 Å²	68	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-70	-40.4	174.8	-166.7	-132.4	0	0	0	112.3	K98 C99 Y102 M116 S117 N121 E122 L123 F168	K98-F119 HydrophobicContact CG-CE2 4.12Å; K98-F119 HydrophobicContact CG-CZ 4.29Å; C99-F119 HydrophobicContact CB-CE1 4.09Å; C99-F119 HydrophobicContact CB-CZ 4.19Å; Y102-F119 HydrophobicContact CD1-CB 3.77Å; Y102-F119 HydrophobicContact CD1-CD1 4.33Å; Y102-F119 HydrophobicContact CD1-CD2 4.05Å; Y102-F119 AromaticContact CD1-CG 3.79Å; Y102-F119 HydrophobicContact CD1-CG 3.79Å; Y102-F119 HydrophobicContact CD2-CB 4.04Å; Y102-F119 AromaticContact CD2-CD2 3.16Å; Y102-F119 HydrophobicContact CD2-CD2 3.16Å; Y102-F119 AromaticContact CD2-CE2 3.79Å; Y102-F119 HydrophobicContact CD2-CE2 3.79Å; Y102-F119 AromaticContact CD2-CG 3.77Å; Y102-F119 HydrophobicContact CD2-CG 3.77Å; Y102-F119 HydrophobicContact CE1-CB 3.53Å; Y102-F119 HydrophobicContact CE1-CD2 4.45Å; Y102-F119 HydrophobicContact CE1-CG 4.09Å; Y102-F119 HydrophobicContact CE2-CB 3.78Å; Y102-F119 AromaticContact CE2-CD2 3.63Å; Y102-F119 HydrophobicContact CE2-CD2 3.63Å; Y102-F119 HydrophobicContact CE2-CG 4.03Å; Y102-F119 HydrophobicContact CG-CB 4.01Å; Y102-F119 HydrophobicContact CG-CD1 4.27Å; Y102-F119 AromaticContact CG-CD2 3.39Å; Y102-F119 HydrophobicContact CG-CD2 3.39Å; Y102-F119 AromaticContact CG-CE2 3.87Å; Y102-F119 HydrophobicContact CG-CE2 3.87Å; Y102-F119 AromaticContact CG-CG 3.62Å; Y102-F119 HydrophobicContact CG-CG 3.62Å; Y102-F119 HydrophobicContact CG-CZ 4.49Å; Y102-F119 PolarHBondContact OH-N 2.61Å; M116-F119 HydrophobicContact CE-CB 3.75Å; M116-F119 HydrophobicContact CE-CD1 3.42Å; M116-F119 VanDerWaalsContact CE-CD1 3.42Å; M116-F119 HydrophobicContact CE-CE1 4.32Å; M116-F119 HydrophobicContact CE-CG 3.89Å; M116-F119 WeakPolarHBondContact O-CA 3.23Å; M116-F119 VanDerWaalsContact O-CB 3.29Å; M116-F119 WeakPolarHBondContact O-CB 2.97Å; M116-F119 PolarHBondContact O-N 3.49Å; S117-F119 PolarHBondContact O-N 2.64Å; F119-N121 VanDerWaalsContact C-N 3.28Å; F119-N121 PolarHBondContact O-N 2.81Å; F119-E122 WeakPolarHBondContact O-CB 3.44Å; F119-E122 PolarHBondContact O-N 2.71Å; F119-E122 VanDerWaalsContact O-N 3.14Å; F119-L123 HydrophobicContact CD1-CD1 3.88Å; F119-L123 HydrophobicContact CD1-CG 4.3Å; F119-L123 HydrophobicContact CD2-CG 4.49Å; F119-L123 HydrophobicContact CE1-CD1 3.68Å; F119-L123 HydrophobicContact CE1-CD2 4.31Å; F119-L123 HydrophobicContact CE1-CG 4.09Å; F119-L123 HydrophobicContact CE2-CD2 4.25Å; F119-L123 HydrophobicContact CE2-CG 4.27Å; F119-L123 HydrophobicContact CG-CD1 4.5Å; F119-L123 HydrophobicContact CG-CG 4.5Å; F119-L123 HydrophobicContact CZ-CD1 4.14Å; F119-L123 HydrophobicContact CZ-CD2 3.9Å; F119-L123 HydrophobicContact CZ-CG 4.05Å; F119-L123 WeakPolarHBondContact O-CG 3.43Å; F119-L123 PolarHBondContact O-N 3.38Å; F119-F168 HydrophobicContact CD1-CE1 4.22Å; F119-F168 HydrophobicContact CD1-CZ 4.24Å
120	L	95.4	Very high	93.5	Very high	30 Å²	30	62.6 Å²	62.6	16%	0.157	31%	0.314	C	S	.	.	H	α-helix	trans	-57.7	-44.7	174.2	-67.7	176.8	0	0	0	110.9	M116 S117 E122 L123 E124 W131 F133 F168	M116-L120 PolarHBondContact O-N 3Å; S117-L120 WeakPolarHBondContact O-CB 3.44Å; S117-L120 PolarHBondContact O-N 3.13Å; S117-L120 VanDerWaalsContact O-N 3.16Å; L120-E122 VanDerWaalsContact C-N 3.3Å; L120-E122 PolarHBondContact O-N 2.95Å; L120-L123 PolarHBondContact O-N 3Å; L120-E124 WeakPolarHBondContact O-CG 3.32Å; L120-E124 PolarHBondContact O-N 2.87Å; L120-W131 HydrophobicContact CD2-CB 3.94Å; L120-F133 HydrophobicContact CD1-CB 3.72Å; L120-F133 HydrophobicContact CD2-CB 4.06Å; L120-F133 HydrophobicContact CG-CB 4.27Å; L120-F168 HydrophobicContact CD2-CD1 3.65Å; L120-F168 HydrophobicContact CD2-CE1 3.74Å; L120-F168 HydrophobicContact CG-CE1 4.35Å
121	N	95.2	Very high	93.8	Very high	95 Å²	95	56.6 Å²	56.6	51%	0.508	28%	0.281	S	S	.	.	H	α-helix	trans	-61.2	-39.5	176.3	-66.2	-33.8	0	0	0	112.3	S117 P118 F119 E124 R125	S117-N121 PolarHBondContact O-N 3.46Å; S117-N121 PolarHBondContact O-ND2 2.97Å; P118-N121 PolarHBondContact O-N 3.2Å; F119-N121 VanDerWaalsContact C-N 3.28Å; F119-N121 PolarHBondContact O-N 2.81Å; N121-E124 PolarHBondContact O-N 2.61Å; N121-R125 WeakPolarHBondContact O-CB 3.48Å; N121-R125 PolarHBondContact O-N 3.42Å
122	E	96.2	Very high	93.8	Very high	54 Å²	54	56.8 Å²	56.8	25%	0.252	28%	0.278	S	S	.	.	H	α-helix	trans	-63.9	-44.4	174.2	174.8	169.4	-180	0	0	111.8	K98 P118 F119 L120 E124 R125 D126	K98-E122 WeakPolarHBondContact CE-OE1 3.38Å; K98-E122 IonicContact NZ-OE1 3.49Å; K98-E122 PolarHBondContact NZ-OE1 2.91Å; P118-E122 PolarHBondContact O-N 3.46Å; P118-E122 VanDerWaalsContact O-N 3.11Å; F119-E122 WeakPolarHBondContact O-CB 3.44Å; F119-E122 PolarHBondContact O-N 2.71Å; F119-E122 VanDerWaalsContact O-N 3.14Å; L120-E122 VanDerWaalsContact C-N 3.3Å; L120-E122 PolarHBondContact O-N 2.95Å; E122-E124 VanDerWaalsContact C-N 3.34Å; E122-E124 PolarHBondContact O-N 3.48Å; E122-R125 PolarHBondContact O-N 3.22Å; E122-D126 WeakPolarHBondContact O-CB 3.33Å; E122-D126 VanDerWaalsContact O-CG 3.23Å; E122-D126 PolarHBondContact O-N 3.31Å
123	L	95.4	Very high	93.9	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63.4	-39.7	175.9	-69.5	177	0	0	0	112	L95 F119 L120 R125 Y127 G128 W131 F168	L95-L123 HydrophobicContact CD1-CD2 3.64Å; F119-L123 HydrophobicContact CD1-CD1 3.88Å; F119-L123 HydrophobicContact CD1-CG 4.3Å; F119-L123 HydrophobicContact CD2-CG 4.49Å; F119-L123 HydrophobicContact CE1-CD1 3.68Å; F119-L123 HydrophobicContact CE1-CD2 4.31Å; F119-L123 HydrophobicContact CE1-CG 4.09Å; F119-L123 HydrophobicContact CE2-CD2 4.25Å; F119-L123 HydrophobicContact CE2-CG 4.27Å; F119-L123 HydrophobicContact CG-CD1 4.5Å; F119-L123 HydrophobicContact CG-CG 4.5Å; F119-L123 HydrophobicContact CZ-CD1 4.14Å; F119-L123 HydrophobicContact CZ-CD2 3.9Å; F119-L123 HydrophobicContact CZ-CG 4.05Å; F119-L123 WeakPolarHBondContact O-CG 3.43Å; F119-L123 PolarHBondContact O-N 3.38Å; L120-L123 PolarHBondContact O-N 3Å; L123-R125 VanDerWaalsContact C-N 3.34Å; L123-Y127 HydrophobicContact CD2-CD2 3.86Å; L123-Y127 HydrophobicContact CD2-CE2 4.03Å; L123-Y127 WeakPolarHBondContact O-CA 3.39Å; L123-Y127 WeakPolarHBondContact O-CB 3.35Å; L123-Y127 PolarHBondContact O-N 3.28Å; L123-G128 PolarHBondContact O-N 3.26Å; L123-W131 VanDerWaalsContact C-CD1 3.47Å; L123-W131 HydrophobicContact CB-CB 4.43Å; L123-W131 HydrophobicContact CB-CD2 3.76Å; L123-W131 HydrophobicContact CB-CE3 4.45Å; L123-W131 HydrophobicContact CB-CG 3.72Å; L123-W131 HydrophobicContact CB-CZ2 4.41Å; L123-W131 HydrophobicContact CD1-CD2 3.93Å; L123-W131 HydrophobicContact CD1-CE3 3.77Å; L123-W131 HydrophobicContact CD1-CG 4.42Å; L123-W131 HydrophobicContact CD1-CZ3 4.08Å; L123-W131 HydrophobicContact CD2-CZ2 4.48Å; L123-W131 HydrophobicContact CG-CD2 4.42Å; L123-W131 PolarHBondContact O-NE1 3.03Å; L123-W131 VanDerWaalsContact O-NE1 3.14Å; L123-F168 HydrophobicContact CD1-CD1 4.46Å
124	E	93.7	Very high	93.8	Very high	65 Å²	65	55.7 Å²	55.7	30%	0.304	27%	0.273	S	S	.	.	H	α-helix	trans	-64.5	-38.8	175.7	-71.9	-154.9	140.5	0	0	112.8	L120 N121 E122 G128 G130 W131	L120-E124 WeakPolarHBondContact O-CG 3.32Å; L120-E124 PolarHBondContact O-N 2.87Å; N121-E124 PolarHBondContact O-N 2.61Å; E122-E124 VanDerWaalsContact C-N 3.34Å; E122-E124 PolarHBondContact O-N 3.48Å; E124-G128 WeakPolarHBondContact CA-O 3.2Å; E124-G128 CarbonylContact O-C 3.21Å; E124-G128 WeakPolarHBondContact O-CA 3.39Å; E124-G128 PolarHBondContact O-N 3.41Å; E124-G128 VanDerWaalsContact O-N 3.12Å; E124-G130 PolarHBondContact OE1-N 3.11Å; E124-W131 HydrophobicContact CG-CB 4.11Å; E124-W131 HydrophobicContact CG-CG 4.4Å
125	R	93.2	Very high	93.6	Very high	178 Å²	178	56.4 Å²	56.4	67%	0.672	27%	0.266	S	S	*	.	H	α-helix	trans	-68.6	-44.5	177.7	-176	-172.7	65.7	-146.5	-4.9	111.7	N121 E122 L123	N121-R125 WeakPolarHBondContact O-CB 3.48Å; N121-R125 PolarHBondContact O-N 3.42Å; E122-R125 PolarHBondContact O-N 3.22Å; L123-R125 VanDerWaalsContact C-N 3.34Å
126	D	94.2	Very high	93	Very high	71 Å²	71	56.2 Å²	56.2	38%	0.38	26%	0.264	S	S	.	.	H	α-helix	trans	-90.8	-31.8	-168.8	-60	-9.1	0	0	0	112.4	K98 E122	K98-D126 IonicContact NZ-OD2 3.18Å; K98-D126 PolarHBondContact NZ-OD2 2.98Å; E122-D126 WeakPolarHBondContact O-CB 3.33Å; E122-D126 VanDerWaalsContact O-CG 3.23Å; E122-D126 PolarHBondContact O-N 3.31Å
127	Y	91.8	Very high	92	Very high	86 Å²	86	60.7 Å²	60.7	34%	0.337	29%	0.291	S	S	.	.	H	α-helix	trans	-121.8	2	-174	-55.9	-88.3	0	0	0	113.5	L95 K98 L123 W131 R170	L95-Y127 HydrophobicContact CD1-CD2 4.13Å; L95-Y127 HydrophobicContact CD1-CE1 4.11Å; L95-Y127 HydrophobicContact CD1-CE2 3.64Å; L95-Y127 HydrophobicContact CD2-CD1 4.3Å; L95-Y127 HydrophobicContact CD2-CE1 4.29Å; K98-Y127 HydrophobicContact CD-CE2 4.37Å; L123-Y127 HydrophobicContact CD2-CD2 3.86Å; L123-Y127 HydrophobicContact CD2-CE2 4.03Å; L123-Y127 WeakPolarHBondContact O-CA 3.39Å; L123-Y127 WeakPolarHBondContact O-CB 3.35Å; L123-Y127 PolarHBondContact O-N 3.28Å; Y127-W131 HydrophobicContact CG-CZ2 4.47Å; Y127-R170 VanDerWaalsContact O-CZ 3.24Å; Y127-R170 PolarHBondContact O-NH1 3.14Å
128	G	90.7	Very high	90.7	Very high	23 Å²	23	61.2 Å²	61.2	24%	0.237	29%	0.29	C	S	.	.			trans	93.9	158.2	177.6	0	0	0	0	0	113.8	L123 E124 W131 R170	L123-G128 PolarHBondContact O-N 3.26Å; E124-G128 WeakPolarHBondContact CA-O 3.2Å; E124-G128 CarbonylContact O-C 3.21Å; E124-G128 WeakPolarHBondContact O-CA 3.39Å; E124-G128 PolarHBondContact O-N 3.41Å; E124-G128 VanDerWaalsContact O-N 3.12Å; G128-W131 PolarHBondContact O-NE1 2.91Å; G128-R170 VanDerWaalsContact C-NH2 3.27Å; G128-R170 PolarHBondContact O-NE 3.29Å
129	R	90.5	Very high	88.9	Confident	159 Å²	159	60.2 Å²	60.2	60%	0.6	28%	0.284	S	S	*	.	S	Bend	trans	-64.4	163.6	-170.5	-61.5	-178	179.6	-141.9	-3.1	114.7	R170	R129-R170 PolarHBondContact O-NE 3.48Å; R129-R170 PolarHBondContact O-NH2 3.4Å; R129-R170 VanDerWaalsContact O-NH2 3.13Å
130	G	91	Very high	87	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.01	30%	0.299	C	S	.	.			trans	97.6	19	171.6	0	0	0	0	0	113.8	E124 R170 D171	E124-G130 PolarHBondContact OE1-N 3.11Å; G130-R170 WeakPolarHBondContact O-CA 3.35Å; G130-D171 PolarHBondContact O-N 3.45Å
131	W	94	Very high	85.4	Confident	16 Å²	16	68.2 Å²	68.2	6%	0.061	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	130.6	175.2	-73.8	93.3	0	0	0	110.3	M91 L95 L120 L123 E124 Y127 G128 S153 Y169 R170	M91-W131 HydrophobicContact CE-CH2 3.81Å; M91-W131 HydrophobicContact CE-CZ3 3.6Å; L95-W131 HydrophobicContact CD2-CH2 4.06Å; L95-W131 HydrophobicContact CD2-CZ2 4.43Å; L120-W131 HydrophobicContact CD2-CB 3.94Å; L123-W131 VanDerWaalsContact C-CD1 3.47Å; L123-W131 HydrophobicContact CB-CB 4.43Å; L123-W131 HydrophobicContact CB-CD2 3.76Å; L123-W131 HydrophobicContact CB-CE3 4.45Å; L123-W131 HydrophobicContact CB-CG 3.72Å; L123-W131 HydrophobicContact CB-CZ2 4.41Å; L123-W131 HydrophobicContact CD1-CD2 3.93Å; L123-W131 HydrophobicContact CD1-CE3 3.77Å; L123-W131 HydrophobicContact CD1-CG 4.42Å; L123-W131 HydrophobicContact CD1-CZ3 4.08Å; L123-W131 HydrophobicContact CD2-CZ2 4.48Å; L123-W131 HydrophobicContact CG-CD2 4.42Å; L123-W131 PolarHBondContact O-NE1 3.03Å; L123-W131 VanDerWaalsContact O-NE1 3.14Å; E124-W131 HydrophobicContact CG-CB 4.11Å; E124-W131 HydrophobicContact CG-CG 4.4Å; Y127-W131 HydrophobicContact CG-CZ2 4.47Å; G128-W131 PolarHBondContact O-NE1 2.91Å; W131-S153 WeakPolarHBondContact CZ3-O 3.46Å; W131-Y169 WeakPolarHBondContact CA-O 3.39Å; W131-R170 HydrophobicContact CD2-CB 4.1Å; W131-R170 HydrophobicContact CD2-CG 4.49Å; W131-R170 HydrophobicContact CE3-CB 4.25Å; W131-R170 HydrophobicContact CZ2-CB 4.42Å; W131-R170 HydrophobicContact CZ3-CB 4.49Å
132	K	91.9	Very high	83.7	Confident	72 Å²	72	64.1 Å²	64.1	31%	0.313	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	144.1	179.1	-68.2	-178.1	176.4	176.5	0	109.4	F168 Y169 D171	K132-F168 WeakPolarHBondContact O-CA 2.9Å; K132-Y169 HydrophobicContact CB-CD1 4.15Å; K132-Y169 HydrophobicContact CB-CD2 4.33Å; K132-Y169 HydrophobicContact CB-CE1 3.69Å; K132-Y169 HydrophobicContact CB-CE2 3.92Å; K132-Y169 HydrophobicContact CB-CG 4.48Å; K132-Y169 HydrophobicContact CD-CE2 3.65Å; K132-Y169 WeakPolarHBondContact CD-OH 3.4Å; K132-Y169 HydrophobicContact CG-CE2 4.28Å; K132-Y169 PolarHBondContact N-O 2.96Å; K132-Y169 PolarHBondContact O-N 3.18Å; K132-Y169 VanDerWaalsContact O-N 3.1Å; K132-D171 HydrophobicContact CD-CB 4.21Å; K132-D171 WeakPolarHBondContact CE-OD2 3.42Å; K132-D171 IonicContact NZ-OD2 3.17Å; K132-D171 PolarHBondContact NZ-OD2 2.82Å
133	F	93.9	Very high	81.8	Confident	22 Å²	22	63.6 Å²	63.6	10%	0.096	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	125.3	170.9	-176.3	-121.2	0	0	0	108.6	W107 P112 F113 M116 L120 F157 Y166 K167 F168	W107-F133 HydrophobicContact CH2-CZ 4.16Å; W107-F133 AromaticContact CZ3-CZ 3.9Å; W107-F133 HydrophobicContact CZ3-CZ 3.9Å; P112-F133 HydrophobicContact CB-CE1 4.3Å; F113-F133 AromaticContact CD1-CD1 3.66Å; F113-F133 HydrophobicContact CD1-CD1 3.66Å; F113-F133 HydrophobicContact CD1-CE1 4.14Å; F113-F133 AromaticContact CE1-CD1 3.89Å; F113-F133 HydrophobicContact CE1-CD1 3.89Å; F113-F133 HydrophobicContact CE1-CE1 4.31Å; F113-F133 HydrophobicContact CG-CD1 4.38Å; F113-F133 HydrophobicContact CG-CE1 4.5Å; M116-F133 HydrophobicContact CB-CD1 4.04Å; M116-F133 HydrophobicContact CB-CE1 3.97Å; M116-F133 HydrophobicContact CB-CG 4.38Å; M116-F133 HydrophobicContact CB-CZ 4.22Å; M116-F133 HydrophobicContact CG-CD1 4.48Å; M116-F133 HydrophobicContact CG-CE1 3.93Å; M116-F133 HydrophobicContact CG-CE2 4.2Å; M116-F133 HydrophobicContact CG-CZ 3.77Å; L120-F133 HydrophobicContact CD1-CB 3.72Å; L120-F133 HydrophobicContact CD2-CB 4.06Å; L120-F133 HydrophobicContact CG-CB 4.27Å; F133-F157 HydrophobicContact CE2-CE1 4.1Å; F133-F157 HydrophobicContact CE2-CZ 4.24Å; F133-Y166 AromaticContact CE1-CD1 3.99Å; F133-Y166 HydrophobicContact CE1-CD1 3.99Å; F133-Y166 HydrophobicContact CE2-CD1 4.13Å; F133-Y166 HydrophobicContact CE2-CG 4.28Å; F133-Y166 AromaticContact CZ-CD1 3.42Å; F133-Y166 HydrophobicContact CZ-CD1 3.42Å; F133-Y166 VanDerWaalsContact CZ-CD1 3.42Å; F133-Y166 HydrophobicContact CZ-CE1 4.26Å; F133-Y166 AromaticContact CZ-CG 3.87Å; F133-Y166 HydrophobicContact CZ-CG 3.87Å; F133-K167 WeakPolarHBondContact CA-O 3.45Å; F133-F168 HydrophobicContact CB-CD1 4.25Å; F133-F168 HydrophobicContact CB-CE1 3.97Å; F133-F168 AromaticContact CD2-CD1 3.67Å; F133-F168 HydrophobicContact CD2-CD1 3.67Å; F133-F168 HydrophobicContact CD2-CD2 4.2Å; F133-F168 AromaticContact CD2-CE1 3.2Å; F133-F168 HydrophobicContact CD2-CE1 3.2Å; F133-F168 AromaticContact CD2-CE2 3.82Å; F133-F168 HydrophobicContact CD2-CE2 3.82Å; F133-F168 HydrophobicContact CD2-CG 4.11Å; F133-F168 AromaticContact CD2-CZ 3.23Å; F133-F168 HydrophobicContact CD2-CZ 3.23Å; F133-F168 HydrophobicContact CE2-CD1 4.47Å; F133-F168 HydrophobicContact CE2-CD2 4.32Å; F133-F168 AromaticContact CE2-CE1 3.82Å; F133-F168 HydrophobicContact CE2-CE1 3.82Å; F133-F168 AromaticContact CE2-CE2 3.65Å; F133-F168 HydrophobicContact CE2-CE2 3.65Å; F133-F168 AromaticContact CE2-CZ 3.29Å; F133-F168 HydrophobicContact CE2-CZ 3.29Å; F133-F168 HydrophobicContact CG-CD1 4.37Å; F133-F168 AromaticContact CG-CE1 3.8Å; F133-F168 HydrophobicContact CG-CE1 3.8Å; F133-F168 HydrophobicContact CG-CZ 4.11Å; F133-F168 HydrophobicContact CZ-CZ 4.24Å
134	E	90.6	Very high	80.1	Confident	65 Å²	65	72.3 Å²	72.3	30%	0.304	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	153.4	178.9	70	-175.4	-159.9	0	0	111.8	V136 Y166 K167 Y169	E134-V136 HydrophobicContact CG-CG2 4.29Å; E134-Y166 WeakPolarHBondContact O-CA 3.41Å; E134-K167 HydrophobicContact CG-CB 3.98Å; E134-K167 PolarHBondContact N-O 3.12Å; E134-K167 PolarHBondContact O-N 3.47Å; E134-Y169 HydrophobicContact CB-CE1 4.49Å; E134-Y169 VanDerWaalsContact CD-CE1 3.41Å; E134-Y169 HydrophobicContact CG-CE1 3.83Å; E134-Y169 VanDerWaalsContact OE2-CE1 3.28Å; E134-Y169 WeakPolarHBondContact OE2-CE1 3.37Å; E134-Y169 PolarHBondContact OE2-OH 2.77Å
135	R	89.3	Confident	78.7	Confident	108 Å²	108	73 Å²	73	41%	0.408	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	115.8	170.1	-171	176.4	69.5	178.1	-5.4	108.6	F113 T137 Y164 I165 Y166	F113-R135 HydrophobicContact CE2-CB 4.48Å; F113-R135 HydrophobicContact CZ-CB 3.97Å; R135-T137 PolarHBondContact O-N 2.87Å; R135-Y164 VanDerWaalsContact CD-CG 3.42Å; R135-Y164 HydrophobicContact CG-CD1 3.9Å; R135-Y164 HydrophobicContact CG-CG 3.79Å; R135-I165 CarbonylContact C-O 3.58Å; R135-Y166 HydrophobicContact CB-CD1 4.23Å; R135-Y166 HydrophobicContact CB-CE1 4.11Å; R135-Y166 HydrophobicContact CG-CD1 4.25Å; R135-Y166 HydrophobicContact CG-CE1 3.86Å
136	V	82.8	Confident	77.7	Confident	11 Å²	11	67.4 Å²	67.4	7%	0.067	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	110.4	179.4	-175.4	0	0	0	0	109.1	E134 N138 K141 V142 I165 K167	E134-V136 HydrophobicContact CG-CG2 4.29Å; V136-N138 WeakPolarHBondContact CG1-O 3.36Å; V136-K141 HydrophobicContact CG1-CB 4.3Å; V136-V142 HydrophobicContact CB-CG2 4.43Å; V136-V142 HydrophobicContact CG1-CG2 3.82Å; V136-I165 WeakPolarHBondContact CA-O 3.23Å; V136-I165 HydrophobicContact CB-CB 4.23Å; V136-I165 HydrophobicContact CB-CG2 4.45Å; V136-I165 PolarHBondContact N-O 2.78Å; V136-K167 HydrophobicContact CG2-CB 3.72Å; V136-K167 HydrophobicContact CG2-CD 4.26Å
137	T	73.8	Confident	76.8	Confident	95 Å²	95	70.6 Å²	70.6	58%	0.583	36%	0.355	S	S	*	.	S	Bend	trans	-84.7	-25.2	175.6	54.6	0	0	0	0	112.7	R135	R135-T137 PolarHBondContact O-N 2.87Å
138	N	66.8	Low	76.4	Confident	64 Å²	64	67.2 Å²	67.2	34%	0.342	34%	0.344	S	S	.	.	S	Bend	trans	-109.9	107.7	177.5	-175	-19.3	0	0	0	109.8	V136 I140 K141	V136-N138 WeakPolarHBondContact CG1-O 3.36Å; N138-I140 PolarHBondContact O-N 3.06Å; N138-I140 VanDerWaalsContact O-N 3.09Å; N138-I140 WeakPolarHBondContact OD1-CB 3.37Å; N138-I140 WeakPolarHBondContact OD1-CG1 3.15Å; N138-I140 PolarHBondContact OD1-N 2.8Å; N138-K141 HydrophobicContact CB-CG 4.47Å; N138-K141 PolarHBondContact O-N 3.25Å
139	P	59.9	Low	76.2	Confident	50 Å²	50	66.5 Å²	66.5	33%	0.325	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-64.7	-17.5	-175.4	30	-37.3	0	0	0	113.3	I70 K141 V142 I165	I70-P139 HydrophobicContact CD1-CB 3.48Å; I70-P139 VanDerWaalsContact CD1-CB 3.48Å; I70-P139 HydrophobicContact CD1-CG 3.69Å; I70-P139 HydrophobicContact CG1-CB 4.22Å; P139-K141 PolarHBondContact O-N 3.37Å; P139-V142 HydrophobicContact CB-CG2 4.43Å; P139-V142 VanDerWaalsContact O-CB 3.23Å; P139-V142 WeakPolarHBondContact O-CB 3.49Å; P139-V142 WeakPolarHBondContact O-CG2 3.15Å; P139-V142 PolarHBondContact O-N 3.16Å; P139-V142 VanDerWaalsContact O-N 3.15Å; P139-I165 HydrophobicContact CB-CD1 3.8Å
140	I	56.1	Low	76	Confident	64 Å²	64	61.7 Å²	61.7	33%	0.328	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-61.9	-28.3	173	-55	170.3	0	0	0	111.6	E66 N138 V142	E66-I140 HydrophobicContact CB-CG1 4.35Å; E66-I140 VanDerWaalsContact CD-CD1 3.42Å; E66-I140 HydrophobicContact CG-CD1 3.77Å; E66-I140 HydrophobicContact CG-CG1 3.92Å; N138-I140 PolarHBondContact O-N 3.06Å; N138-I140 VanDerWaalsContact O-N 3.09Å; N138-I140 WeakPolarHBondContact OD1-CB 3.37Å; N138-I140 WeakPolarHBondContact OD1-CG1 3.15Å; N138-I140 PolarHBondContact OD1-N 2.8Å; I140-V142 VanDerWaalsContact C-N 3.29Å; I140-V142 PolarHBondContact O-N 3.02Å
141	K	61.8	Low	75.8	Confident	133 Å²	133	65.8 Å²	65.8	58%	0.578	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-81.3	-7	-179.8	-68.2	-171.5	175.9	-175.8	0	113.7	V136 N138 P139 G143 R144	V136-K141 HydrophobicContact CG1-CB 4.3Å; N138-K141 HydrophobicContact CB-CG 4.47Å; N138-K141 PolarHBondContact O-N 3.25Å; P139-K141 PolarHBondContact O-N 3.37Å; K141-G143 PolarHBondContact O-N 2.85Å; K141-R144 PolarHBondContact O-N 2.84Å
142	V	59.5	Low	75.5	Confident	9 Å²	9	72.5 Å²	72.5	6%	0.055	37%	0.374	C	S	.	.	S	Bend	trans	-61.5	-46.8	-173.3	174.4	0	0	0	0	111.3	Y87 F88 V136 P139 I140 C156 I165	Y87-V142 HydrophobicContact CG-CG1 4.44Å; F88-V142 HydrophobicContact CB-CG1 4.28Å; V136-V142 HydrophobicContact CB-CG2 4.43Å; V136-V142 HydrophobicContact CG1-CG2 3.82Å; P139-V142 HydrophobicContact CB-CG2 4.43Å; P139-V142 VanDerWaalsContact O-CB 3.23Å; P139-V142 WeakPolarHBondContact O-CB 3.49Å; P139-V142 WeakPolarHBondContact O-CG2 3.15Å; P139-V142 PolarHBondContact O-N 3.16Å; P139-V142 VanDerWaalsContact O-N 3.15Å; I140-V142 VanDerWaalsContact C-N 3.29Å; I140-V142 PolarHBondContact O-N 3.02Å; V142-C156 HydrophobicContact CG1-CB 3.44Å; V142-C156 VanDerWaalsContact CG1-CB 3.44Å; V142-C156 PolarHBondContact O-SG 3.35Å; V142-I165 HydrophobicContact CG1-CG2 4.36Å; V142-I165 HydrophobicContact CG2-CB 4.28Å; V142-I165 HydrophobicContact CG2-CD1 3.76Å; V142-I165 HydrophobicContact CG2-CG2 3.75Å
143	G	57.4	Low	75.5	Confident	44 Å²	44	69.2 Å²	69.2	45%	0.454	36%	0.361	S	S	.	.	S	Bend	trans	-89.2	-6	177.2	0	0	0	0	0	115.4	K141 I145	K141-G143 PolarHBondContact O-N 2.85Å; G143-I145 PolarHBondContact O-N 3.19Å
144	R	60.2	Low	75.3	Confident	183 Å²	183	68.2 Å²	68.2	69%	0.691	36%	0.356	S	S	*	.			trans	-78.8	108	179.3	-75	-166.2	-178.6	-166.2	1.9	109.9	K141 S146 K167	K141-R144 PolarHBondContact O-N 2.84Å; R144-S146 PolarHBondContact O-N 3.5Å; R144-K167 PolarHBondContact O-NZ 3.18Å
145	I	63.5	Low	75.4	Confident	80 Å²	80	65.1 Å²	65.1	41%	0.41	34%	0.342	S	S	.	.			trans	-77.8	109	169.1	-57.5	179.9	0	0	0	106.8	F88 G143 I149	F88-I145 HydrophobicContact CE1-CD1 4.32Å; F88-I145 HydrophobicContact CE1-CG1 4.45Å; F88-I145 HydrophobicContact CZ-CD1 4.14Å; G143-I145 PolarHBondContact O-N 3.19Å; I145-I149 HydrophobicContact CG2-CB 3.73Å; I145-I149 HydrophobicContact CG2-CG2 3.91Å
146	S	72.8	Confident	75.4	Confident	59 Å²	59	60 Å²	60	41%	0.413	32%	0.322	S	S	.	.			trans	-60.7	152.1	169.3	169.2	0	0	0	0	109.3	R144 S148 I149	R144-S146 PolarHBondContact O-N 3.5Å; S146-S148 PolarHBondContact O-N 3.41Å; S146-S148 VanDerWaalsContact O-N 3.08Å; S146-S148 PolarHBondContact OG-N 3.09Å; S146-S148 PolarHBondContact OG-OG 2.95Å; S146-I149 WeakPolarHBondContact O-CB 3.5Å; S146-I149 PolarHBondContact O-N 3.31Å
147	T	75.5	Confident	75.8	Confident	138 Å²	138	59.4 Å²	59.4	85%	0.847	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-21.6	176.2	50.4	0	0	0	0	113.1
148	S	82.8	Confident	76.5	Confident	16 Å²	16	58.1 Å²	58.1	11%	0.112	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-15	174.7	61.1	0	0	0	0	113.7	S146 D171 Q172	S146-S148 PolarHBondContact O-N 3.41Å; S146-S148 VanDerWaalsContact O-N 3.08Å; S146-S148 PolarHBondContact OG-N 3.09Å; S146-S148 PolarHBondContact OG-OG 2.95Å; S148-D171 WeakPolarHBondContact CB-OD1 3.27Å; S148-Q172 WeakPolarHBondContact O-CB 3.35Å; S148-Q172 WeakPolarHBondContact O-CG 3.42Å; S148-Q172 PolarHBondContact O-N 3.4Å
149	I	85.3	Confident	77.5	Confident	8 Å²	8	57.5 Å²	57.5	4%	0.041	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-80.8	134	-175.4	-63.7	179.5	0	0	0	110.6	I145 S146 T154 Y169 Q172	I145-I149 HydrophobicContact CG2-CB 3.73Å; I145-I149 HydrophobicContact CG2-CG2 3.91Å; S146-I149 WeakPolarHBondContact O-CB 3.5Å; S146-I149 PolarHBondContact O-N 3.31Å; I149-T154 WeakPolarHBondContact CG2-OG1 3.49Å; I149-Y169 HydrophobicContact CD1-CD2 3.91Å; I149-Y169 HydrophobicContact CD1-CE2 4.4Å; I149-Y169 HydrophobicContact CD1-CG 4.1Å; I149-Y169 HydrophobicContact CG1-CD2 3.65Å; I149-Y169 HydrophobicContact CG1-CE2 4.16Å; I149-Y169 HydrophobicContact CG1-CG 4.27Å; I149-Q172 PolarHBondContact O-NE2 2.93Å
150	K	87.3	Confident	78.7	Confident	57 Å²	57	58.1 Å²	58.1	25%	0.248	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-71.3	132.2	176	-162	169.3	-168.5	152.7	0	109.7	S153 R170 Q172 E175	K150-S153 WeakPolarHBondContact O-CB 3.42Å; K150-S153 PolarHBondContact O-OG 2.87Å; K150-R170 HydrophobicContact CB-CB 4.1Å; K150-R170 HydrophobicContact CB-CG 4.4Å; K150-R170 WeakPolarHBondContact CB-O 3.4Å; K150-R170 HydrophobicContact CD-CG 4.31Å; K150-R170 PolarHBondContact N-O 3.24Å; K150-Q172 HydrophobicContact CB-CG 3.77Å; K150-Q172 HydrophobicContact CG-CG 4.14Å; K150-E175 IonicContact NZ-OE1 2.81Å; K150-E175 PolarHBondContact NZ-OE1 3.4Å; K150-E175 IonicContact NZ-OE2 3.9Å; K150-E175 PolarHBondContact NZ-OE2 3.47Å
151	P	86.6	Confident	79.9	Confident	88 Å²	88	59.5 Å²	59.5	57%	0.571	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	150.2	172.3	-24.5	32.9	0	0	0	111.8	S153	P151-S153 VanDerWaalsContact C-N 3.3Å; P151-S153 PolarHBondContact O-N 3.29Å
152	K	88.8	Confident	80.9	Confident	156 Å²	156	53.9 Å²	53.9	68%	0.678	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	37.6	177.6	-53.7	-177	177.1	-175.9	0	114	D90	D90-K152 VanDerWaalsContact O-CA 3.27Å; D90-K152 WeakPolarHBondContact O-CA 3.44Å; D90-K152 WeakPolarHBondContact OD1-CA 3.39Å; D90-K152 WeakPolarHBondContact OD2-CA 3.46Å; D90-K152 PolarHBondContact OD2-N 3.32Å
153	S	90.5	Very high	81.6	Confident	4 Å²	4	56.6 Å²	56.6	3%	0.028	30%	0.304	C	S	.	.			trans	-139.5	4.9	-176.6	78.3	0	0	0	0	113.8	D90 M91 W131 K150 P151 Y169 R170	D90-S153 PolarHBondContact OD1-N 3.08Å; M91-S153 VanDerWaalsContact CE-C 3.49Å; M91-S153 WeakPolarHBondContact CE-O 3.4Å; W131-S153 WeakPolarHBondContact CZ3-O 3.46Å; K150-S153 WeakPolarHBondContact O-CB 3.42Å; K150-S153 PolarHBondContact O-OG 2.87Å; P151-S153 VanDerWaalsContact C-N 3.3Å; P151-S153 PolarHBondContact O-N 3.29Å; S153-Y169 VanDerWaalsContact O-CA 3.27Å; S153-Y169 WeakPolarHBondContact O-CA 3.47Å; S153-R170 WeakPolarHBondContact OG-CB 3.48Å; S153-R170 PolarHBondContact OG-N 3.11Å; S153-R170 VanDerWaalsContact OG-N 3.11Å
154	T	90.8	Very high	82.9	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.296	C	S	.	.			trans	-102.9	130.9	-174.4	-52.4	0	0	0	0	110.7	F88 S89 D90 I149 K167 F168	F88-T154 HydrophobicContact CD1-CG2 3.83Å; F88-T154 HydrophobicContact CE1-CG2 3.92Å; S89-T154 WeakPolarHBondContact CA-O 3.29Å; D90-T154 PolarHBondContact N-O 3.3Å; D90-T154 VanDerWaalsContact N-O 3.13Å; D90-T154 WeakPolarHBondContact OD1-CA 2.93Å; D90-T154 WeakPolarHBondContact OD1-CB 3.06Å; D90-T154 PolarHBondContact OD1-N 3.19Å; I149-T154 WeakPolarHBondContact CG2-OG1 3.49Å; T154-K167 HydrophobicContact CG2-CD 4.46Å; T154-K167 HydrophobicContact CG2-CG 4.34Å; T154-F168 CarbonylContact C-O 3.57Å; T154-F168 VanDerWaalsContact CA-O 3.3Å; T154-F168 WeakPolarHBondContact CA-O 3.42Å
155	F	91.5	Very high	84.2	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	121.8	174.3	-177.5	-94.9	0	0	0	110	I86 M91 E96 C99 I100 I103 F157 K167 F168	I86-F155 HydrophobicContact CD1-CE2 3.85Å; I86-F155 HydrophobicContact CD1-CZ 3.78Å; I86-F155 HydrophobicContact CG1-CE2 4.21Å; I86-F155 HydrophobicContact CG1-CZ 3.88Å; I86-F155 HydrophobicContact CG2-CE2 4.23Å; M91-F155 HydrophobicContact CE-CB 3.44Å; M91-F155 VanDerWaalsContact CE-CB 3.44Å; M91-F155 HydrophobicContact SD-CB 3.69Å; M91-F155 HydrophobicContact SD-CD2 4.41Å; M91-F155 HydrophobicContact SD-CG 4.38Å; E96-F155 HydrophobicContact CG-CD2 4.04Å; E96-F155 HydrophobicContact CG-CE2 3.71Å; C99-F155 HydrophobicContact CB-CD1 4.3Å; C99-F155 HydrophobicContact CB-CE1 4.33Å; C99-F155 HydrophobicContact CB-CG 4.43Å; I100-F155 HydrophobicContact CG1-CE2 4.22Å; I100-F155 HydrophobicContact CG1-CZ 3.84Å; I103-F155 HydrophobicContact CD1-CD1 4.38Å; I103-F155 HydrophobicContact CD1-CE1 3.67Å; F155-F157 HydrophobicContact CD1-CB 4.45Å; F155-F157 AromaticContact CD1-CD1 3.7Å; F155-F157 HydrophobicContact CD1-CD1 3.7Å; F155-F157 HydrophobicContact CD1-CE1 4.42Å; F155-F157 HydrophobicContact CD1-CG 4.39Å; F155-F157 HydrophobicContact CE1-CB 3.76Å; F155-F157 AromaticContact CE1-CD1 3.55Å; F155-F157 HydrophobicContact CE1-CD1 3.55Å; F155-F157 HydrophobicContact CE1-CE1 4.4Å; F155-F157 AromaticContact CE1-CG 3.81Å; F155-F157 HydrophobicContact CE1-CG 3.81Å; F155-F157 HydrophobicContact CZ-CB 4.31Å; F155-K167 CarbonylContact O-C 3.55Å; F155-K167 WeakPolarHBondContact O-CA 3.29Å; F155-F168 HydrophobicContact CB-CB 4.34Å; F155-F168 HydrophobicContact CD1-CD2 4.1Å; F155-F168 PolarHBondContact N-O 2.84Å; F155-F168 PolarHBondContact O-N 2.83Å
156	C	90.9	Very high	85.5	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	127	-177.1	-56.5	0	0	0	0	111	Y87 F88 V142 Y166 K167	Y87-C156 PolarHBondContact N-O 2.55Å; F88-C156 HydrophobicContact CB-CB 4.09Å; F88-C156 PolarHBondContact N-O 3.48Å; F88-C156 PolarHBondContact O-N 2.93Å; V142-C156 HydrophobicContact CG1-CB 3.44Å; V142-C156 VanDerWaalsContact CG1-CB 3.44Å; V142-C156 PolarHBondContact O-SG 3.35Å; C156-Y166 CarbonylContact C-O 3.57Å; C156-Y166 VanDerWaalsContact CA-O 3.26Å; C156-Y166 WeakPolarHBondContact CA-O 3.45Å; C156-K167 VanDerWaalsContact SG-CG 3.51Å
157	F	90.5	Very high	86.3	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	160.6	-175.5	71.8	-74.2	0	0	0	111.6	I84 T85 I103 W107 F133 F155 Y166 F168	I84-F157 HydrophobicContact CG2-CB 4.26Å; I84-F157 HydrophobicContact CG2-CD2 4.39Å; T85-F157 CarbonylContact O-C 3.59Å; T85-F157 VanDerWaalsContact O-CA 3.22Å; T85-F157 WeakPolarHBondContact O-CA 3.28Å; I103-F157 HydrophobicContact CD1-CD1 3.94Å; I103-F157 HydrophobicContact CD1-CD2 4.06Å; I103-F157 HydrophobicContact CD1-CE1 3.71Å; I103-F157 HydrophobicContact CD1-CE2 3.83Å; I103-F157 HydrophobicContact CD1-CG 4.11Å; I103-F157 HydrophobicContact CD1-CZ 3.63Å; I103-F157 HydrophobicContact CG1-CE2 4.24Å; I103-F157 HydrophobicContact CG1-CZ 4.03Å; I103-F157 HydrophobicContact CG2-CD2 4.25Å; I103-F157 HydrophobicContact CG2-CE2 3.67Å; I103-F157 HydrophobicContact CG2-CZ 4.24Å; W107-F157 HydrophobicContact CE3-CE2 4.12Å; W107-F157 HydrophobicContact CE3-CZ 4.14Å; W107-F157 HydrophobicContact CH2-CE2 4.06Å; W107-F157 HydrophobicContact CH2-CZ 4.01Å; W107-F157 AromaticContact CZ3-CE2 3.77Å; W107-F157 HydrophobicContact CZ3-CE2 3.77Å; W107-F157 AromaticContact CZ3-CZ 3.52Å; W107-F157 HydrophobicContact CZ3-CZ 3.52Å; F133-F157 HydrophobicContact CE2-CE1 4.1Å; F133-F157 HydrophobicContact CE2-CZ 4.24Å; F155-F157 HydrophobicContact CD1-CB 4.45Å; F155-F157 AromaticContact CD1-CD1 3.7Å; F155-F157 HydrophobicContact CD1-CD1 3.7Å; F155-F157 HydrophobicContact CD1-CE1 4.42Å; F155-F157 HydrophobicContact CD1-CG 4.39Å; F155-F157 HydrophobicContact CE1-CB 3.76Å; F155-F157 AromaticContact CE1-CD1 3.55Å; F155-F157 HydrophobicContact CE1-CD1 3.55Å; F155-F157 HydrophobicContact CE1-CE1 4.4Å; F155-F157 AromaticContact CE1-CG 3.81Å; F155-F157 HydrophobicContact CE1-CG 3.81Å; F155-F157 HydrophobicContact CZ-CB 4.31Å; F157-Y166 HydrophobicContact CE2-CD2 4.41Å; F157-Y166 HydrophobicContact CZ-CD2 4.45Å; F157-Y166 HydrophobicContact CZ-CG 4.26Å; F157-Y166 PolarHBondContact N-O 2.61Å; F157-Y166 PolarHBondContact O-N 3.13Å; F157-F168 HydrophobicContact CD1-CE2 4.4Å; F157-F168 AromaticContact CE1-CD2 3.94Å; F157-F168 HydrophobicContact CE1-CD2 3.94Å; F157-F168 AromaticContact CE1-CE2 3.47Å; F157-F168 HydrophobicContact CE1-CE2 3.47Å; F157-F168 VanDerWaalsContact CE1-CE2 3.47Å; F157-F168 HydrophobicContact CE1-CZ 4.46Å; F157-F168 HydrophobicContact CZ-CE2 4.08Å
158	R	88.1	Confident	87	Confident	68 Å²	68	37.1 Å²	37.1	26%	0.257	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	138	164.5	178.7	175.3	71.7	-173.1	1.3	108	T85 Y87 E160 D162	T85-R158 PolarHBondContact N-O 3.49Å; T85-R158 PolarHBondContact O-N 2.71Å; Y87-R158 HydrophobicContact CD2-CB 4.38Å; Y87-R158 HydrophobicContact CE2-CB 3.53Å; Y87-R158 PolarHBondContact OH-NE 3.37Å; Y87-R158 PolarHBondContact OH-NH1 2.76Å; Y87-R158 PolarHBondContact OH-NH2 3.39Å; R158-E160 HydrophobicContact CG-CG 4.46Å; R158-E160 IonicContact CZ-OE1 3.23Å; R158-E160 IonicContact NE-OE1 2.61Å; R158-E160 PolarHBondContact NE-OE1 3.17Å; R158-E160 IonicContact NH2-OE1 3.42Å; R158-E160 PolarHBondContact NH2-OE1 2.94Å; R158-D162 VanDerWaalsContact CD-O 3.28Å; R158-D162 WeakPolarHBondContact CD-O 3.41Å; R158-D162 WeakPolarHBondContact CG-O 3.01Å
159	Y	88.6	Confident	87.4	Confident	50 Å²	50	37.7 Å²	37.7	20%	0.196	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	103.7	169.6	-163.9	-80.2	0	0	0	109	C83 I84 I103 W107 D162	C83-Y159 HydrophobicContact CB-CD1 4.1Å; C83-Y159 HydrophobicContact CB-CD2 4.49Å; C83-Y159 HydrophobicContact CB-CE1 3.61Å; C83-Y159 HydrophobicContact CB-CE2 4.04Å; C83-Y159 CarbonylContact O-C 3.34Å; C83-Y159 WeakPolarHBondContact O-CA 3.47Å; I84-Y159 HydrophobicContact CD1-CD2 4.28Å; I84-Y159 HydrophobicContact CD1-CE2 4.3Å; I84-Y159 HydrophobicContact CG1-CD2 3.72Å; I84-Y159 HydrophobicContact CG1-CE2 3.93Å; I103-Y159 HydrophobicContact CG2-CD2 3.84Å; I103-Y159 HydrophobicContact CG2-CE2 4.26Å; W107-Y159 HydrophobicContact CB-CD2 4.05Å; W107-Y159 HydrophobicContact CB-CE2 3.86Å; W107-Y159 AromaticContact CD1-CD1 3.37Å; W107-Y159 AromaticContact CD1-CD2 3.56Å; W107-Y159 AromaticContact CD1-CE1 3.56Å; W107-Y159 AromaticContact CD1-CE2 3.75Å; W107-Y159 AromaticContact CD1-CG 3.35Å; W107-Y159 AromaticContact CD1-CZ 3.75Å; W107-Y159 HydrophobicContact CD2-CD2 4.02Å; W107-Y159 HydrophobicContact CD2-CG 4.06Å; W107-Y159 AromaticContact CE2-CG 3.76Å; W107-Y159 HydrophobicContact CG-CD1 4.24Å; W107-Y159 AromaticContact CG-CD2 3.6Å; W107-Y159 HydrophobicContact CG-CD2 3.6Å; W107-Y159 HydrophobicContact CG-CE1 4.42Å; W107-Y159 AromaticContact CG-CE2 3.82Å; W107-Y159 HydrophobicContact CG-CE2 3.82Å; W107-Y159 AromaticContact CG-CG 3.82Å; W107-Y159 HydrophobicContact CG-CG 3.82Å; W107-Y159 AromaticContact NE1-CD1 3.38Å; W107-Y159 AromaticContact NE1-CD2 3.92Å; W107-Y159 AromaticContact NE1-CG 3.29Å; W107-Y159 VanDerWaalsContact NE1-CG 3.29Å; Y159-D162 WeakPolarHBondContact O-CA 3.27Å; Y159-D162 WeakPolarHBondContact O-CB 3.22Å; Y159-D162 PolarHBondContact O-N 3.04Å
160	E	84.5	Confident	87.7	Confident	63 Å²	63	38.3 Å²	38.3	29%	0.294	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	144.3	-176.2	-57.5	-165.2	173.8	0	0	111.9	C83 T85 R158	C83-E160 PolarHBondContact O-N 2.8Å; T85-E160 PolarHBondContact OG1-OE1 3.29Å; R158-E160 HydrophobicContact CG-CG 4.46Å; R158-E160 IonicContact CZ-OE1 3.23Å; R158-E160 IonicContact NE-OE1 2.61Å; R158-E160 PolarHBondContact NE-OE1 3.17Å; R158-E160 IonicContact NH2-OE1 3.42Å; R158-E160 PolarHBondContact NH2-OE1 2.94Å
161	P	82.2	Confident	87.8	Confident	93 Å²	93	36 Å²	36	60%	0.604	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	cis	-92.5	30.4	3.3	37.8	-35.3	0	0	0	113.3
162	D	80.8	Confident	87.6	Confident	16 Å²	16	34 Å²	34	9%	0.086	16%	0.163	C	C	.	.			trans	-63	144.2	178.4	-159.9	4.2	0	0	0	111.7	R158 Y159 Y164 Y166	R158-D162 VanDerWaalsContact CD-O 3.28Å; R158-D162 WeakPolarHBondContact CD-O 3.41Å; R158-D162 WeakPolarHBondContact CG-O 3.01Å; Y159-D162 WeakPolarHBondContact O-CA 3.27Å; Y159-D162 WeakPolarHBondContact O-CB 3.22Å; Y159-D162 PolarHBondContact O-N 3.04Å; D162-Y164 VanDerWaalsContact C-N 3.31Å; D162-Y164 WeakPolarHBondContact OD1-CD2 3.49Å; D162-Y166 WeakPolarHBondContact OD2-CE2 3.35Å; D162-Y166 VanDerWaalsContact OD2-CZ 3.28Å; D162-Y166 PolarHBondContact OD2-OH 3.14Å
163	C	75.4	Confident	87.1	Confident	66 Å²	66	31.3 Å²	31.3	45%	0.446	15%	0.153	S	C	.	.	S	Bend	trans	-83.1	-13.4	-178.3	65.7	0	0	0	0	112.8
164	Y	84.3	Confident	86	Confident	73 Å²	73	34.3 Å²	34.3	29%	0.286	17%	0.168	S	C	.	.			trans	-97.2	147	-175.6	-59	-72.2	0	0	0	112.5	R135 D162	R135-Y164 VanDerWaalsContact CD-CG 3.42Å; R135-Y164 HydrophobicContact CG-CD1 3.9Å; R135-Y164 HydrophobicContact CG-CG 3.79Å; D162-Y164 VanDerWaalsContact C-N 3.31Å; D162-Y164 WeakPolarHBondContact OD1-CD2 3.49Å
165	I	87.1	Confident	84.4	Confident	12 Å²	12	38.3 Å²	38.3	6%	0.062	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	140.5	166.4	-60.2	174.3	0	0	0	107.4	Y87 R135 V136 P139 V142	Y87-I165 HydrophobicContact CD1-CD1 4.27Å; Y87-I165 HydrophobicContact CD2-CD1 4.19Å; Y87-I165 HydrophobicContact CD2-CG1 4.31Å; Y87-I165 HydrophobicContact CD2-CG2 4.27Å; Y87-I165 HydrophobicContact CE1-CD1 4.09Å; Y87-I165 HydrophobicContact CE2-CD1 4.07Å; Y87-I165 HydrophobicContact CE2-CG1 4.05Å; Y87-I165 HydrophobicContact CG-CD1 4.27Å; R135-I165 CarbonylContact C-O 3.58Å; V136-I165 WeakPolarHBondContact CA-O 3.23Å; V136-I165 HydrophobicContact CB-CB 4.23Å; V136-I165 HydrophobicContact CB-CG2 4.45Å; V136-I165 PolarHBondContact N-O 2.78Å; P139-I165 HydrophobicContact CB-CD1 3.8Å; V142-I165 HydrophobicContact CG1-CG2 4.36Å; V142-I165 HydrophobicContact CG2-CB 4.28Å; V142-I165 HydrophobicContact CG2-CD1 3.76Å; V142-I165 HydrophobicContact CG2-CG2 3.75Å
166	Y	90.6	Very high	82.8	Confident	4 Å²	4	46 Å²	46	2%	0.016	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	149.3	178.5	-63.7	-84.4	0	0	0	109.9	W107 P112 F133 E134 R135 C156 F157 D162	W107-Y166 AromaticContact CH2-CD1 3.84Å; W107-Y166 HydrophobicContact CH2-CD1 3.84Å; W107-Y166 AromaticContact CH2-CD2 3.42Å; W107-Y166 HydrophobicContact CH2-CD2 3.42Å; W107-Y166 VanDerWaalsContact CH2-CD2 3.42Å; W107-Y166 AromaticContact CH2-CE1 3.8Å; W107-Y166 HydrophobicContact CH2-CE1 3.8Å; W107-Y166 AromaticContact CH2-CE2 3.39Å; W107-Y166 HydrophobicContact CH2-CE2 3.39Å; W107-Y166 AromaticContact CH2-CG 3.65Å; W107-Y166 HydrophobicContact CH2-CG 3.65Å; W107-Y166 AromaticContact CH2-CZ 3.58Å; W107-Y166 AromaticContact CZ2-CD2 3.85Å; W107-Y166 HydrophobicContact CZ2-CD2 3.85Å; W107-Y166 HydrophobicContact CZ2-CE1 4.35Å; W107-Y166 AromaticContact CZ2-CE2 3.41Å; W107-Y166 HydrophobicContact CZ2-CE2 3.41Å; W107-Y166 VanDerWaalsContact CZ2-CE2 3.41Å; W107-Y166 HydrophobicContact CZ2-CG 4.49Å; W107-Y166 AromaticContact CZ2-CZ 3.69Å; W107-Y166 HydrophobicContact CZ3-CD2 4.47Å; W107-Y166 HydrophobicContact CZ3-CG 4.46Å; P112-Y166 HydrophobicContact CB-CE1 3.82Å; P112-Y166 HydrophobicContact CG-CE1 3.87Å; F133-Y166 AromaticContact CE1-CD1 3.99Å; F133-Y166 HydrophobicContact CE1-CD1 3.99Å; F133-Y166 HydrophobicContact CE2-CD1 4.13Å; F133-Y166 HydrophobicContact CE2-CG 4.28Å; F133-Y166 AromaticContact CZ-CD1 3.42Å; F133-Y166 HydrophobicContact CZ-CD1 3.42Å; F133-Y166 VanDerWaalsContact CZ-CD1 3.42Å; F133-Y166 HydrophobicContact CZ-CE1 4.26Å; F133-Y166 AromaticContact CZ-CG 3.87Å; F133-Y166 HydrophobicContact CZ-CG 3.87Å; E134-Y166 WeakPolarHBondContact O-CA 3.41Å; R135-Y166 HydrophobicContact CB-CD1 4.23Å; R135-Y166 HydrophobicContact CB-CE1 4.11Å; R135-Y166 HydrophobicContact CG-CD1 4.25Å; R135-Y166 HydrophobicContact CG-CE1 3.86Å; C156-Y166 CarbonylContact C-O 3.57Å; C156-Y166 VanDerWaalsContact CA-O 3.26Å; C156-Y166 WeakPolarHBondContact CA-O 3.45Å; F157-Y166 HydrophobicContact CE2-CD2 4.41Å; F157-Y166 HydrophobicContact CZ-CD2 4.45Å; F157-Y166 HydrophobicContact CZ-CG 4.26Å; F157-Y166 PolarHBondContact N-O 2.61Å; F157-Y166 PolarHBondContact O-N 3.13Å; D162-Y166 WeakPolarHBondContact OD2-CE2 3.35Å; D162-Y166 VanDerWaalsContact OD2-CZ 3.28Å; D162-Y166 PolarHBondContact OD2-OH 3.14Å
167	K	90.5	Very high	81.2	Confident	6 Å²	6	53 Å²	53	3%	0.026	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	124.8	-175.4	178.8	174.9	-179.8	-179.9	0	111.2	F133 E134 V136 R144 T154 F155 C156 Y169	F133-K167 WeakPolarHBondContact CA-O 3.45Å; E134-K167 HydrophobicContact CG-CB 3.98Å; E134-K167 PolarHBondContact N-O 3.12Å; E134-K167 PolarHBondContact O-N 3.47Å; V136-K167 HydrophobicContact CG2-CB 3.72Å; V136-K167 HydrophobicContact CG2-CD 4.26Å; R144-K167 PolarHBondContact O-NZ 3.18Å; T154-K167 HydrophobicContact CG2-CD 4.46Å; T154-K167 HydrophobicContact CG2-CG 4.34Å; F155-K167 CarbonylContact O-C 3.55Å; F155-K167 WeakPolarHBondContact O-CA 3.29Å; C156-K167 VanDerWaalsContact SG-CG 3.51Å; K167-Y169 HydrophobicContact CD-CD1 4.29Å; K167-Y169 HydrophobicContact CG-CD1 4.01Å
168	F	90.5	Very high	79.3	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	138.9	160.3	-65.9	-77.6	0	0	0	109.2	M91 I103 M116 F119 L120 L123 K132 F133 T154 F155 F157	M91-F168 HydrophobicContact CE-CB 4.43Å; I103-F168 HydrophobicContact CD1-CE2 4.19Å; M116-F168 HydrophobicContact CB-CE1 4.3Å; M116-F168 HydrophobicContact CB-CZ 4.04Å; M116-F168 HydrophobicContact CE-CE1 4.02Å; M116-F168 HydrophobicContact CE-CE2 3.9Å; M116-F168 HydrophobicContact CE-CZ 3.21Å; M116-F168 HydrophobicContact CG-CZ 3.91Å; M116-F168 HydrophobicContact SD-CZ 4.25Å; F119-F168 HydrophobicContact CD1-CE1 4.22Å; F119-F168 HydrophobicContact CD1-CZ 4.24Å; L120-F168 HydrophobicContact CD2-CD1 3.65Å; L120-F168 HydrophobicContact CD2-CE1 3.74Å; L120-F168 HydrophobicContact CG-CE1 4.35Å; L123-F168 HydrophobicContact CD1-CD1 4.46Å; K132-F168 WeakPolarHBondContact O-CA 2.9Å; F133-F168 HydrophobicContact CB-CD1 4.25Å; F133-F168 HydrophobicContact CB-CE1 3.97Å; F133-F168 AromaticContact CD2-CD1 3.67Å; F133-F168 HydrophobicContact CD2-CD1 3.67Å; F133-F168 HydrophobicContact CD2-CD2 4.2Å; F133-F168 AromaticContact CD2-CE1 3.2Å; F133-F168 HydrophobicContact CD2-CE1 3.2Å; F133-F168 AromaticContact CD2-CE2 3.82Å; F133-F168 HydrophobicContact CD2-CE2 3.82Å; F133-F168 HydrophobicContact CD2-CG 4.11Å; F133-F168 AromaticContact CD2-CZ 3.23Å; F133-F168 HydrophobicContact CD2-CZ 3.23Å; F133-F168 HydrophobicContact CE2-CD1 4.47Å; F133-F168 HydrophobicContact CE2-CD2 4.32Å; F133-F168 AromaticContact CE2-CE1 3.82Å; F133-F168 HydrophobicContact CE2-CE1 3.82Å; F133-F168 AromaticContact CE2-CE2 3.65Å; F133-F168 HydrophobicContact CE2-CE2 3.65Å; F133-F168 AromaticContact CE2-CZ 3.29Å; F133-F168 HydrophobicContact CE2-CZ 3.29Å; F133-F168 HydrophobicContact CG-CD1 4.37Å; F133-F168 AromaticContact CG-CE1 3.8Å; F133-F168 HydrophobicContact CG-CE1 3.8Å; F133-F168 HydrophobicContact CG-CZ 4.11Å; F133-F168 HydrophobicContact CZ-CZ 4.24Å; T154-F168 CarbonylContact C-O 3.57Å; T154-F168 VanDerWaalsContact CA-O 3.3Å; T154-F168 WeakPolarHBondContact CA-O 3.42Å; F155-F168 HydrophobicContact CB-CB 4.34Å; F155-F168 HydrophobicContact CD1-CD2 4.1Å; F155-F168 PolarHBondContact N-O 2.84Å; F155-F168 PolarHBondContact O-N 2.83Å; F157-F168 HydrophobicContact CD1-CE2 4.4Å; F157-F168 AromaticContact CE1-CD2 3.94Å; F157-F168 HydrophobicContact CE1-CD2 3.94Å; F157-F168 AromaticContact CE1-CE2 3.47Å; F157-F168 HydrophobicContact CE1-CE2 3.47Å; F157-F168 VanDerWaalsContact CE1-CE2 3.47Å; F157-F168 HydrophobicContact CE1-CZ 4.46Å; F157-F168 HydrophobicContact CZ-CE2 4.08Å
169	Y	91.2	Very high	77.5	Confident	27 Å²	27	67.9 Å²	67.9	11%	0.106	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	156.4	169.1	63.5	-79.2	0	0	0	110.4	W131 K132 E134 I149 S153 K167	W131-Y169 WeakPolarHBondContact CA-O 3.39Å; K132-Y169 HydrophobicContact CB-CD1 4.15Å; K132-Y169 HydrophobicContact CB-CD2 4.33Å; K132-Y169 HydrophobicContact CB-CE1 3.69Å; K132-Y169 HydrophobicContact CB-CE2 3.92Å; K132-Y169 HydrophobicContact CB-CG 4.48Å; K132-Y169 HydrophobicContact CD-CE2 3.65Å; K132-Y169 WeakPolarHBondContact CD-OH 3.4Å; K132-Y169 HydrophobicContact CG-CE2 4.28Å; K132-Y169 PolarHBondContact N-O 2.96Å; K132-Y169 PolarHBondContact O-N 3.18Å; K132-Y169 VanDerWaalsContact O-N 3.1Å; E134-Y169 HydrophobicContact CB-CE1 4.49Å; E134-Y169 VanDerWaalsContact CD-CE1 3.41Å; E134-Y169 HydrophobicContact CG-CE1 3.83Å; E134-Y169 VanDerWaalsContact OE2-CE1 3.28Å; E134-Y169 WeakPolarHBondContact OE2-CE1 3.37Å; E134-Y169 PolarHBondContact OE2-OH 2.77Å; I149-Y169 HydrophobicContact CD1-CD2 3.91Å; I149-Y169 HydrophobicContact CD1-CE2 4.4Å; I149-Y169 HydrophobicContact CD1-CG 4.1Å; I149-Y169 HydrophobicContact CG1-CD2 3.65Å; I149-Y169 HydrophobicContact CG1-CE2 4.16Å; I149-Y169 HydrophobicContact CG1-CG 4.27Å; S153-Y169 VanDerWaalsContact O-CA 3.27Å; S153-Y169 WeakPolarHBondContact O-CA 3.47Å; K167-Y169 HydrophobicContact CD-CD1 4.29Å; K167-Y169 HydrophobicContact CG-CD1 4.01Å
170	R	90.8	Very high	75.4	Confident	22 Å²	22	75.7 Å²	75.7	8%	0.083	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	130.9	171.3	-170.5	172.4	177.2	-152.1	-1	110.5	Y127 G128 R129 G130 W131 K150 S153 E175	Y127-R170 VanDerWaalsContact O-CZ 3.24Å; Y127-R170 PolarHBondContact O-NH1 3.14Å; G128-R170 VanDerWaalsContact C-NH2 3.27Å; G128-R170 PolarHBondContact O-NE 3.29Å; R129-R170 PolarHBondContact O-NE 3.48Å; R129-R170 PolarHBondContact O-NH2 3.4Å; R129-R170 VanDerWaalsContact O-NH2 3.13Å; G130-R170 WeakPolarHBondContact O-CA 3.35Å; W131-R170 HydrophobicContact CD2-CB 4.1Å; W131-R170 HydrophobicContact CD2-CG 4.49Å; W131-R170 HydrophobicContact CE3-CB 4.25Å; W131-R170 HydrophobicContact CZ2-CB 4.42Å; W131-R170 HydrophobicContact CZ3-CB 4.49Å; K150-R170 HydrophobicContact CB-CB 4.1Å; K150-R170 HydrophobicContact CB-CG 4.4Å; K150-R170 WeakPolarHBondContact CB-O 3.4Å; K150-R170 HydrophobicContact CD-CG 4.31Å; K150-R170 PolarHBondContact N-O 3.24Å; S153-R170 WeakPolarHBondContact OG-CB 3.48Å; S153-R170 PolarHBondContact OG-N 3.11Å; S153-R170 VanDerWaalsContact OG-N 3.11Å; R170-E175 IonicContact CZ-OE1 3.48Å; R170-E175 IonicContact NH1-OE1 2.66Å; R170-E175 IonicContact NH2-OE1 3.57Å; R170-E175 PolarHBondContact NH2-OE1 3.4Å
171	D	89	Confident	75	Confident	7 Å²	7	76.3 Å²	76.3	4%	0.037	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-91.6	128.1	178	-162.4	-28.6	0	0	0	111.1	G130 K132 S148 E173 I174	G130-D171 PolarHBondContact O-N 3.45Å; K132-D171 HydrophobicContact CD-CB 4.21Å; K132-D171 WeakPolarHBondContact CE-OD2 3.42Å; K132-D171 IonicContact NZ-OD2 3.17Å; K132-D171 PolarHBondContact NZ-OD2 2.82Å; S148-D171 WeakPolarHBondContact CB-OD1 3.27Å; D171-E173 WeakPolarHBondContact OD1-CB 3.14Å; D171-E173 PolarHBondContact OD1-N 3.02Å; D171-I174 HydrophobicContact CB-CD1 4.15Å; D171-I174 HydrophobicContact CB-CG1 4.36Å
172	Q	83.6	Confident	74.6	Confident	48 Å²	48	75.4 Å²	75.4	22%	0.224	34%	0.343	C	S	.	.	S	Bend	trans	-74.7	-26.5	176.2	-59.4	-176.3	29.5	0	0	112.5	S148 I149 K150 I174 E175	S148-Q172 WeakPolarHBondContact O-CB 3.35Å; S148-Q172 WeakPolarHBondContact O-CG 3.42Å; S148-Q172 PolarHBondContact O-N 3.4Å; I149-Q172 PolarHBondContact O-NE2 2.93Å; K150-Q172 HydrophobicContact CB-CG 3.77Å; K150-Q172 HydrophobicContact CG-CG 4.14Å; Q172-I174 VanDerWaalsContact C-N 3.26Å; Q172-I174 PolarHBondContact O-N 3.19Å; Q172-E175 PolarHBondContact O-N 3.11Å
173	E	76.9	Confident	74.2	Confident	99 Å²	99	78.7 Å²	78.7	46%	0.463	36%	0.357	S	S	.	.	H	α-helix	trans	-68.5	-28.2	-175	-67.1	-175.1	176.5	0	0	112.2	D171 E175 R176 Q177	D171-E173 WeakPolarHBondContact OD1-CB 3.14Å; D171-E173 PolarHBondContact OD1-N 3.02Å; E173-E175 VanDerWaalsContact C-N 3.27Å; E173-E175 PolarHBondContact O-N 2.76Å; E173-R176 PolarHBondContact O-N 3.19Å; E173-R176 VanDerWaalsContact O-N 3.09Å; E173-Q177 PolarHBondContact O-N 2.95Å
174	I	67.5	Low	74.2	Confident	67 Å²	67	79.5 Å²	79.5	34%	0.344	35%	0.352	S	S	.	.	H	α-helix	trans	-67.4	-29.2	176.7	-63.8	174.9	0	0	0	111.3	D171 Q172	D171-I174 HydrophobicContact CB-CD1 4.15Å; D171-I174 HydrophobicContact CB-CG1 4.36Å; Q172-I174 VanDerWaalsContact C-N 3.26Å; Q172-I174 PolarHBondContact O-N 3.19Å
175	E	58.8	Low	73.5	Confident	84 Å²	84	79.9 Å²	79.9	39%	0.393	36%	0.356	S	S	.	.	H	α-helix	trans	-72	-31.3	172.2	-70.4	-175.9	145.9	0	0	111.7	K150 R170 Q172 E173	K150-E175 IonicContact NZ-OE1 2.81Å; K150-E175 PolarHBondContact NZ-OE1 3.4Å; K150-E175 IonicContact NZ-OE2 3.9Å; K150-E175 PolarHBondContact NZ-OE2 3.47Å; R170-E175 IonicContact CZ-OE1 3.48Å; R170-E175 IonicContact NH1-OE1 2.66Å; R170-E175 IonicContact NH2-OE1 3.57Å; R170-E175 PolarHBondContact NH2-OE1 3.4Å; Q172-E175 PolarHBondContact O-N 3.11Å; E173-E175 VanDerWaalsContact C-N 3.27Å; E173-E175 PolarHBondContact O-N 2.76Å
176	R	57.1	Low	72.6	Confident	160 Å²	160	84.4 Å²	84.4	60%	0.604	38%	0.376	S	S	*	.	H	α-helix	trans	-78	-27.5	-174.7	-67.6	-175.1	-176.5	167.1	4.5	114.4	E173 R178 F179	E173-R176 PolarHBondContact O-N 3.19Å; E173-R176 VanDerWaalsContact O-N 3.09Å; R176-R178 PolarHBondContact O-N 2.76Å; R176-F179 PolarHBondContact O-N 3.12Å
177	Q	57.2	Low	71.3	Confident	149 Å²	149	90.1 Å²	90.1	70%	0.696	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-2.4	-178.4	-72.9	-178.2	-2.2	0	0	115	E173	E173-Q177 PolarHBondContact O-N 2.95Å
178	R	49.7	Very low	69.9	Low	191 Å²	191	96.6 Å²	96.6	72%	0.721	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-5.2	176.2	-75.1	-169.4	175.3	-164.9	-3.3	115.3	R176	R176-R178 PolarHBondContact O-N 2.76Å
179	F	50.8	Low	68.1	Low	189 Å²	189	104.7 Å²	104.7	83%	0.829	47%	0.466	S	S	*	.			trans	-102.9	14.6	179.4	-66	-77.9	0	0	0	113.4	R176	R176-F179 PolarHBondContact O-N 3.12Å
180	I	45.3	Very low	66.1	Low	213 Å²	213	111.7 Å²	111.7	100%	1.092	50%	0.499	S	S	*	.			trans	-119.5	0	167.5	-50.8	176.8	0	0	0	106.5

Retrieved 180 of 180 residues in 170 ms (Link to these results)

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