A0A077Z097_TRITR Loading...

Ly 6 protein HOT 2

AlphaFold DB , UniProt , Accession A0A077Z097, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 187 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	41.6	Very low	37.8	Very low	235 Å²	235	143.6 Å²	143.6	100%	1.158	76%	0.755	S	S	*	*				0	40.1	0	-93.5	176.1	161.2	0	0	112.4
2	F	33.7	Very low	37.6	Very low	211 Å²	211	139.9 Å²	139.9	93%	0.925	75%	0.75	S	S	*	*			trans	-137.3	39.5	-175	-107.5	-85	0	0	0	111.3
3	K	34.3	Very low	37.7	Very low	198 Å²	198	136.5 Å²	136.5	86%	0.861	74%	0.744	S	S	*	*	S	Bend	trans	-128.3	6.2	179.7	-91.1	-174	173.9	-176.3	0	114.6
4	T	42	Very low	37.6	Very low	109 Å²	109	133.8 Å²	133.8	67%	0.669	74%	0.74	S	S	*	*	S	Bend	trans	-108.2	-9	-176.5	35	0	0	0	0	114.9	I6	T4-I6 PolarHBondContact O-N 3.03Å
5	A	41	Very low	37.7	Very low	81 Å²	81	131.4 Å²	131.4	67%	0.669	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-2	-174.3	0	0	0	0	0	115.8
6	I	41	Very low	37.7	Very low	142 Å²	142	135.4 Å²	135.4	73%	0.728	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	-17.2	-179.1	-65.8	175.6	0	0	0	111.8	T4 D8	T4-I6 PolarHBondContact O-N 3.03Å; I6-D8 VanDerWaalsContact C-N 3.33Å; I6-D8 PolarHBondContact O-N 3.15Å
7	I	37.9	Very low	37.5	Very low	117 Å²	117	135.4 Å²	135.4	60%	0.6	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	-17.8	-176.9	-64.9	169.3	0	0	0	111.8
8	D	34.9	Very low	37.1	Very low	122 Å²	122	137.7 Å²	137.7	65%	0.652	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-12.8	-176.4	-65.3	-39.2	0	0	0	115	I6	I6-D8 VanDerWaalsContact C-N 3.33Å; I6-D8 PolarHBondContact O-N 3.15Å
9	C	37.3	Very low	37.3	Very low	98 Å²	98	136.3 Å²	136.3	66%	0.662	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	-19.9	176.6	-69.4	0	0	0	0	113.9
10	I	37.7	Very low	37.4	Very low	127 Å²	127	135.2 Å²	135.2	65%	0.651	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	-23.5	179.3	-61.6	179	0	0	0	111
11	L	34.5	Very low	37.7	Very low	140 Å²	140	132.9 Å²	132.9	73%	0.733	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	-9.4	174.6	-101.3	81	0	0	0	114.9	S13	L11-S13 VanDerWaalsContact C-N 3.34Å
12	S	35.6	Very low	38.5	Very low	99 Å²	99	125.1 Å²	125.1	69%	0.692	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	-2	180	-172.4	0	0	0	0	114.4
13	S	39	Very low	40	Very low	95 Å²	95	121.5 Å²	121.5	66%	0.664	72%	0.718	S	S	*	*	S	Bend	trans	-112.6	-1.2	-171.8	-51.8	0	0	0	0	114.6	L11	L11-S13 VanDerWaalsContact C-N 3.34Å
14	S	36.8	Very low	42.2	Very low	99 Å²	99	116.9 Å²	116.9	69%	0.692	71%	0.709	S	S	*	*			trans	-111.8	25	-173	-56.9	0	0	0	0	113.8	F16	S14-F16 PolarHBondContact O-N 2.74Å; S14-F16 VanDerWaalsContact O-N 3.14Å
15	S	38.6	Very low	44.5	Very low	98 Å²	98	116.7 Å²	116.7	69%	0.685	70%	0.702	S	S	*	*			trans	-83	51.2	159.8	-50.3	0	0	0	0	110.3	L17	S15-L17 PolarHBondContact O-N 2.96Å
16	F	37.8	Very low	46.9	Very low	195 Å²	195	113.7 Å²	113.7	86%	0.855	68%	0.675	S	S	*	*			trans	-70.7	71.3	149.8	-113.5	-93.8	0	0	0	105.6	S14 L18	S14-F16 PolarHBondContact O-N 2.74Å; S14-F16 VanDerWaalsContact O-N 3.14Å; F16-L18 PolarHBondContact O-N 2.84Å
17	L	34.1	Very low	49.5	Very low	135 Å²	135	110.3 Å²	110.3	71%	0.707	66%	0.656	S	S	*	*			trans	-56.5	116	164.8	-77.3	166	0	0	0	105	S15 V19	S15-L17 PolarHBondContact O-N 2.96Å; L17-V19 HydrophobicContact CB-CG2 4.23Å; L17-V19 PolarHBondContact O-N 3.1Å
18	L	30.6	Very low	52.2	Low	178 Å²	178	104.8 Å²	104.8	93%	0.932	63%	0.627	S	S	*	*			trans	-49.9	82.2	151.9	-85.2	138.9	0	0	0	107.1	F16 S20	F16-L18 PolarHBondContact O-N 2.84Å; L18-S20 PolarHBondContact O-N 2.93Å
19	V	40	Very low	55.1	Low	110 Å²	110	100.6 Å²	100.6	67%	0.667	60%	0.603	S	S	*	*			trans	-70	104.7	170.2	175.9	0	0	0	0	104.7	L17 G21	L17-V19 HydrophobicContact CB-CG2 4.23Å; L17-V19 PolarHBondContact O-N 3.1Å; V19-G21 PolarHBondContact O-N 3.36Å
20	S	39.1	Very low	57.9	Low	114 Å²	114	96.6 Å²	96.6	80%	0.797	58%	0.576	S	S	*	*			trans	-40.4	104.5	168.9	-157.3	0	0	0	0	110.5	L18 A22	L18-S20 PolarHBondContact O-N 2.93Å; S20-A22 VanDerWaalsContact C-N 3.28Å; S20-A22 PolarHBondContact O-N 3.21Å
21	G	45.4	Very low	60.7	Low	88 Å²	88	90.6 Å²	90.6	91%	0.907	55%	0.545	S	S	*	.	S	Bend	trans	58.4	-3.7	146.7	0	0	0	0	0	121.9	V19	V19-G21 PolarHBondContact O-N 3.36Å
22	A	56.9	Low	63.6	Low	72 Å²	72	84 Å²	84	60%	0.595	51%	0.511	S	S	*	.			trans	-119.3	113.9	-177.5	0	0	0	0	0	111.4	S20	S20-A22 VanDerWaalsContact C-N 3.28Å; S20-A22 PolarHBondContact O-N 3.21Å
23	M	65.2	Low	66.4	Low	134 Å²	134	79.3 Å²	79.3	66%	0.66	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-60.3	132.8	170.4	-90.7	-176.4	-92.3	0	0	109.6	T72	M23-T72 WeakPolarHBondContact CB-O 3.26Å; M23-T72 VanDerWaalsContact SD-O 3.33Å
24	P	81.1	Confident	69.1	Low	102 Å²	102	79.6 Å²	79.6	66%	0.662	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-61.3	139.5	178.3	25.3	-32.7	0	0	0	110.2	I26	P24-I26 PolarHBondContact O-N 3.31Å
25	I	89.7	Confident	71.8	Confident	105 Å²	105	76.1 Å²	76.1	54%	0.538	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-68	121.8	173.7	-60.5	174.7	0	0	0	107.9	N70 C71	I25-N70 HydrophobicContact CG2-CB 3.78Å; I25-C71 WeakPolarHBondContact CA-O 3.36Å
26	I	92.6	Very high	74.4	Confident	17 Å²	17	71.7 Å²	71.7	9%	0.087	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	148	174.5	67.4	173.2	0	0	0	110.5	P24 C71 N73 N152	P24-I26 PolarHBondContact O-N 3.31Å; I26-C71 HydrophobicContact CG1-CB 3.91Å; I26-C71 PolarHBondContact N-O 2.95Å; I26-C71 PolarHBondContact O-N 2.81Å; I26-N73 WeakPolarHBondContact CD1-O 3Å; I26-N73 WeakPolarHBondContact CG1-O 3.43Å; I26-N152 WeakPolarHBondContact CA-OD1 3.14Å
27	H	94	Very high	77.2	Confident	72 Å²	72	66.2 Å²	66.2	33%	0.333	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	112.5	-177.8	-67.5	-81.7	0	0	0	110	V68 H69 N70 N152 R153	H27-V68 HydrophobicContact CB-CG1 3.57Å; H27-H69 WeakPolarHBondContact CA-O 3.3Å; H27-N70 PolarHBondContact CE1-OD1 3.25Å; H27-N70 PolarHBondContact ND1-OD1 3.27Å; H27-N152 PolarHBondContact CD2-OD1 2.93Å; H27-N152 PolarHBondContact N-OD1 3.13Å; H27-R153 WeakPolarHBondContact O-CA 3.41Å; H27-R153 PolarHBondContact O-N 3.09Å
28	C	95.3	Very high	79.9	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	144.1	-179	-53.4	0	0	0	0	111.3	S30 V68 H69 C71 C75	C28-S30 PolarHBondContact O-N 3.13Å; C28-V68 CarbonylContact O-C 3.5Å; C28-V68 WeakPolarHBondContact O-CA 3.1Å; C28-V68 VanDerWaalsContact O-CG1 3.31Å; C28-V68 WeakPolarHBondContact O-CG1 3.28Å; C28-H69 PolarHBondContact N-O 3Å; C28-H69 PolarHBondContact O-N 3.11Å; C28-C71 WeakPolarHBondContact CB-SG 3.27Å; C28-C71 PolarHBondContact SG-SG 2.89Å; C28-C75 HydrophobicContact CB-CB 3.66Å; C28-C75 WeakPolarHBondContact CB-SG 3.44Å; C28-C75 WeakPolarHBondContact SG-CA 3.37Å; C28-C75 WeakPolarHBondContact SG-CB 3.47Å; C28-C75 CovalentContact SG-SG 2.01Å; C28-C75 PolarHBondContact SG-SG 3.28Å
29	Y	95.8	Very high	82.8	Confident	34 Å²	34	62.5 Å²	62.5	13%	0.133	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	138	171.7	-68.5	-71.4	0	0	0	110.3	M62 I66 P67 V68 R95 G96 R153 N155 G156	Y29-M62 HydrophobicContact CD1-CB 4.34Å; Y29-M62 HydrophobicContact CD1-CG 3.51Å; Y29-M62 HydrophobicContact CD2-CB 3.96Å; Y29-M62 HydrophobicContact CD2-CE 4.3Å; Y29-M62 HydrophobicContact CD2-CG 3.83Å; Y29-M62 HydrophobicContact CE1-CB 4.04Å; Y29-M62 HydrophobicContact CE1-CG 3.56Å; Y29-M62 HydrophobicContact CE2-CB 3.6Å; Y29-M62 HydrophobicContact CE2-CG 3.85Å; Y29-M62 HydrophobicContact CG-CB 4.29Å; Y29-M62 HydrophobicContact CG-CE 4.28Å; Y29-M62 HydrophobicContact CG-CG 3.64Å; Y29-M62 HydrophobicContact CG-SD 4.4Å; Y29-I66 HydrophobicContact CD1-CB 4.18Å; Y29-I66 HydrophobicContact CD1-CG2 3.96Å; Y29-I66 HydrophobicContact CG-CG2 4.47Å; Y29-P67 WeakPolarHBondContact CA-O 3.45Å; Y29-V68 HydrophobicContact CD1-CG2 3.69Å; Y29-V68 HydrophobicContact CE1-CG2 3.68Å; Y29-R95 CarbonylContact O-C 3.44Å; Y29-R95 VanDerWaalsContact O-C 3.29Å; Y29-G96 VanDerWaalsContact O-CA 3.31Å; Y29-G96 WeakPolarHBondContact O-CA 3.22Å; Y29-G96 PolarHBondContact O-N 3.05Å; Y29-R153 HydrophobicContact CD2-CB 4.19Å; Y29-R153 HydrophobicContact CE2-CB 3.6Å; Y29-R153 HydrophobicContact CE2-CG 4.18Å; Y29-N155 PolarHBondContact N-OD1 3.38Å; Y29-N155 PolarHBondContact O-ND2 2.96Å; Y29-G156 VanDerWaalsContact CE2-CA 3.5Å
30	S	95.6	Very high	85.3	Confident	15 Å²	15	59.7 Å²	59.7	11%	0.105	34%	0.337	C	S	.	.			trans	-121.7	104.4	-179.8	-175.5	0	0	0	0	109.9	C28 E51 P67 R95	C28-S30 PolarHBondContact O-N 3.13Å; S30-E51 PolarHBondContact OG-N 3.22Å; S30-P67 PolarHBondContact N-O 3.06Å; S30-R95 VanDerWaalsContact CA-O 3.32Å; S30-R95 WeakPolarHBondContact CA-O 3.27Å
31	C	96.4	Very high	87.8	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	159.7	177.9	60.3	0	0	0	0	112.1	L52 C57 I66 R95	C31-L52 CarbonylContact C-O 3.49Å; C31-L52 WeakPolarHBondContact CA-O 3.21Å; C31-C57 HydrophobicContact CB-CB 3.75Å; C31-C57 WeakPolarHBondContact CB-SG 3.41Å; C31-C57 PolarHBondContact O-SG 3.43Å; C31-C57 VanDerWaalsContact SG-CA 3.56Å; C31-C57 WeakPolarHBondContact SG-CB 3.36Å; C31-C57 CovalentContact SG-SG 2.05Å; C31-C57 PolarHBondContact SG-SG 3.33Å; C31-I66 HydrophobicContact CB-CG2 3.93Å; C31-R95 PolarHBondContact N-O 2.87Å; C31-R95 PolarHBondContact O-N 2.91Å
32	M	96.1	Very high	89.9	Confident	3 Å²	3	60.2 Å²	60.2	2%	0.015	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	155.3	165.6	-62.9	179.3	179.2	0	0	110.8	Y36 Y47 Q48 P50 L52 F53 S54 Y93 I94	M32-Y36 HydrophobicContact CB-CD2 3.93Å; M32-Y36 HydrophobicContact CB-CG 4.45Å; M32-Y36 HydrophobicContact SD-CG 4.45Å; M32-Y47 HydrophobicContact CE-CD1 4.42Å; M32-Y47 HydrophobicContact CE-CG 4.3Å; M32-Q48 WeakPolarHBondContact CE-O 3.47Å; M32-P50 HydrophobicContact CB-CB 4.39Å; M32-P50 HydrophobicContact CB-CG 3.88Å; M32-P50 HydrophobicContact CG-CB 3.83Å; M32-P50 HydrophobicContact CG-CG 3.64Å; M32-P50 HydrophobicContact SD-CB 4.33Å; M32-P50 HydrophobicContact SD-CG 3.83Å; M32-L52 PolarHBondContact N-O 2.78Å; M32-F53 HydrophobicContact CB-CD1 3.89Å; M32-F53 HydrophobicContact CB-CE1 4.01Å; M32-F53 CarbonylContact O-C 3.55Å; M32-F53 VanDerWaalsContact O-CA 3.27Å; M32-F53 WeakPolarHBondContact O-CA 3.27Å; M32-F53 HydrophobicContact SD-CE1 4.13Å; M32-S54 PolarHBondContact O-N 2.91Å; M32-Y93 CarbonylContact C-O 3.59Å; M32-Y93 VanDerWaalsContact CA-O 3.28Å; M32-Y93 WeakPolarHBondContact CA-O 2.86Å; M32-I94 HydrophobicContact CE-CB 4.43Å; M32-I94 HydrophobicContact CE-CD1 4.43Å; M32-I94 HydrophobicContact CE-CG1 4.27Å; M32-I94 HydrophobicContact CE-CG2 3.46Å; M32-I94 VanDerWaalsContact CE-CG2 3.46Å; M32-I94 HydrophobicContact CG-CB 4.12Å; M32-I94 HydrophobicContact CG-CG1 3.88Å; M32-I94 HydrophobicContact CG-CG2 3.87Å; M32-I94 HydrophobicContact SD-CG1 4.2Å; M32-I94 HydrophobicContact SD-CG2 4.32Å
33	S	95.2	Very high	91.4	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.296	C	S	.	.			trans	-60.6	154.9	171.9	-46.2	0	0	0	0	112	S35 Y36 N58 N92 Y93	S33-S35 PolarHBondContact O-N 2.64Å; S33-Y36 PolarHBondContact O-N 3.17Å; S33-N58 PolarHBondContact OG-OD1 2.56Å; S33-N92 WeakPolarHBondContact CB-OD1 3.32Å; S33-N92 WeakPolarHBondContact OG-CA 3.47Å; S33-Y93 PolarHBondContact N-O 2.86Å; S33-Y93 PolarHBondContact OG-N 3Å; S33-Y93 PolarHBondContact OG-O 3.47Å
34	Y	95	Very high	92.7	Very high	101 Å²	101	58.1 Å²	58.1	40%	0.396	28%	0.283	S	S	.	.	H	α-helix	trans	-64.1	-28.6	-174.8	-161.3	-92.5	0	0	0	112.8	Y36 Q37 E38 D55	Y34-Y36 PolarHBondContact O-N 3.5Å; Y34-Y36 VanDerWaalsContact O-N 3.1Å; Y34-Q37 WeakPolarHBondContact O-CA 3.27Å; Y34-Q37 WeakPolarHBondContact O-CB 3.22Å; Y34-Q37 PolarHBondContact O-N 3.5Å; Y34-E38 HydrophobicContact CD1-CG 4.13Å; Y34-E38 HydrophobicContact CE1-CG 4.1Å; Y34-E38 PolarHBondContact O-N 3.42Å; Y34-D55 VanDerWaalsContact CB-OD1 3.26Å; Y34-D55 WeakPolarHBondContact CB-OD1 3.4Å; Y34-D55 PolarHBondContact N-OD1 2.05Å
35	S	92.7	Very high	93	Very high	25 Å²	25	59.9 Å²	59.9	18%	0.175	28%	0.278	C	S	.	.	H	α-helix	trans	-53.5	-32.3	175.7	-173.9	0	0	0	0	113.7	S33 H39 N92	S33-S35 PolarHBondContact O-N 2.64Å; S35-H39 PolarHBondContact O-N 2.99Å; S35-H39 PolarHBondContact O-ND1 3.19Å; S35-N92 WeakPolarHBondContact CB-OD1 3.31Å
36	Y	94.1	Very high	93	Very high	5 Å²	5	56 Å²	56	2%	0.02	26%	0.258	C	S	.	.	H	α-helix	trans	-72.9	-27.3	174.8	-68.8	-77.9	0	0	0	113.4	M32 S33 Y34 H39 W40 M43 Y47 E80 N92 I94	M32-Y36 HydrophobicContact CB-CD2 3.93Å; M32-Y36 HydrophobicContact CB-CG 4.45Å; M32-Y36 HydrophobicContact SD-CG 4.45Å; S33-Y36 PolarHBondContact O-N 3.17Å; Y34-Y36 PolarHBondContact O-N 3.5Å; Y34-Y36 VanDerWaalsContact O-N 3.1Å; Y36-H39 CarbonylContact O-C 3.57Å; Y36-W40 VanDerWaalsContact O-CA 3.27Å; Y36-W40 WeakPolarHBondContact O-CA 3.34Å; Y36-W40 PolarHBondContact O-N 3.49Å; Y36-M43 HydrophobicContact CD1-CE 4.11Å; Y36-M43 HydrophobicContact CD1-CG 4.22Å; Y36-M43 HydrophobicContact CD1-SD 4.48Å; Y36-M43 HydrophobicContact CE1-CE 4.1Å; Y36-Y47 HydrophobicContact CE1-CD2 4.45Å; Y36-Y47 HydrophobicContact CE1-CE2 4.05Å; Y36-E80 WeakPolarHBondContact OH-CG 3.4Å; Y36-E80 PolarHBondContact OH-OE2 2.75Å; Y36-N92 HydrophobicContact CD2-CB 4.45Å; Y36-N92 HydrophobicContact CE2-CB 3.62Å; Y36-I94 HydrophobicContact CD2-CG1 4.3Å; Y36-I94 HydrophobicContact CE1-CD1 4Å; Y36-I94 HydrophobicContact CE1-CG1 4.46Å; Y36-I94 HydrophobicContact CE2-CD1 4.02Å; Y36-I94 HydrophobicContact CE2-CG1 3.59Å
37	Q	95.3	Very high	93	Very high	81 Å²	81	55.3 Å²	55.3	38%	0.379	25%	0.254	S	S	.	.	H	α-helix	trans	-67.1	-43.7	176.2	-173.4	177.1	-28.1	0	0	110.6	Y34 H39 W40 F53	Y34-Q37 WeakPolarHBondContact O-CA 3.27Å; Y34-Q37 WeakPolarHBondContact O-CB 3.22Å; Y34-Q37 PolarHBondContact O-N 3.5Å; Q37-H39 PolarHBondContact O-N 3Å; Q37-W40 VanDerWaalsContact O-CB 3.27Å; Q37-W40 WeakPolarHBondContact O-CB 3.42Å; Q37-W40 PolarHBondContact O-N 3.34Å; Q37-F53 HydrophobicContact CB-CB 4Å; Q37-F53 HydrophobicContact CB-CD1 3.83Å; Q37-F53 HydrophobicContact CB-CD2 4.1Å; Q37-F53 HydrophobicContact CB-CE1 4.29Å; Q37-F53 HydrophobicContact CB-CG 3.72Å; Q37-F53 HydrophobicContact CG-CB 4.46Å; Q37-F53 HydrophobicContact CG-CD2 4.11Å; Q37-F53 HydrophobicContact CG-CG 4.2Å
38	E	92	Very high	93.1	Very high	133 Å²	133	56.8 Å²	56.8	62%	0.621	26%	0.261	S	S	*	.	H	α-helix	trans	-60.1	-35.8	178.6	-64.2	177.8	170.9	0	0	111.9	Y34	Y34-E38 HydrophobicContact CD1-CG 4.13Å; Y34-E38 HydrophobicContact CE1-CG 4.1Å; Y34-E38 PolarHBondContact O-N 3.42Å
39	H	90.6	Very high	93	Very high	102 Å²	102	64.8 Å²	64.8	47%	0.472	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	18	-178.5	-56.2	88.7	0	0	0	113	S35 Y36 Q37 M41 T42 M43	S35-H39 PolarHBondContact O-N 2.99Å; S35-H39 PolarHBondContact O-ND1 3.19Å; Y36-H39 CarbonylContact O-C 3.57Å; Q37-H39 PolarHBondContact O-N 3Å; H39-M41 VanDerWaalsContact C-N 3.26Å; H39-M41 PolarHBondContact O-N 2.79Å; H39-M41 VanDerWaalsContact O-N 3.16Å; H39-T42 PolarHBondContact O-N 3.03Å; H39-M43 HydrophobicContact CB-CG 4.22Å; H39-M43 WeakPolarHBondContact O-CG 3.41Å; H39-M43 PolarHBondContact O-N 2.83Å
40	W	93.3	Very high	93	Very high	50 Å²	50	63.6 Å²	63.6	19%	0.189	29%	0.288	C	S	.	.	H	α-helix	trans	-58.5	-37	-168.2	-177.1	-112.8	0	0	0	113.4	Y36 Q37 T42 M43 R44 Y47 Q48 R49 F53	Y36-W40 VanDerWaalsContact O-CA 3.27Å; Y36-W40 WeakPolarHBondContact O-CA 3.34Å; Y36-W40 PolarHBondContact O-N 3.49Å; Q37-W40 VanDerWaalsContact O-CB 3.27Å; Q37-W40 WeakPolarHBondContact O-CB 3.42Å; Q37-W40 PolarHBondContact O-N 3.34Å; W40-T42 PolarHBondContact O-N 3.23Å; W40-M43 HydrophobicContact CE3-CB 4.4Å; W40-M43 PolarHBondContact O-N 3.05Å; W40-M43 VanDerWaalsContact O-N 3.14Å; W40-R44 HydrophobicContact CD2-CB 4.44Å; W40-R44 HydrophobicContact CH2-CB 4.44Å; W40-R44 HydrophobicContact CZ2-CB 3.87Å; W40-R44 WeakPolarHBondContact O-CB 3.46Å; W40-R44 PolarHBondContact O-N 3.02Å; W40-Y47 VanDerWaalsContact CH2-O 3.27Å; W40-Y47 WeakPolarHBondContact CH2-O 3.42Å; W40-Q48 VanDerWaalsContact CH2-C 3.48Å; W40-R49 HydrophobicContact CH2-CB 3.86Å; W40-R49 HydrophobicContact CH2-CG 4.36Å; W40-R49 VanDerWaalsContact CH2-N 3.28Å; W40-R49 HydrophobicContact CZ2-CB 3.49Å; W40-R49 VanDerWaalsContact CZ2-CB 3.49Å; W40-R49 HydrophobicContact CZ2-CG 3.94Å; W40-F53 HydrophobicContact CD2-CZ 4.01Å; W40-F53 HydrophobicContact CE3-CE1 4.09Å; W40-F53 AromaticContact CE3-CZ 3.56Å; W40-F53 HydrophobicContact CE3-CZ 3.56Å; W40-F53 HydrophobicContact CZ3-CE1 4.38Å; W40-F53 AromaticContact CZ3-CZ 3.91Å; W40-F53 HydrophobicContact CZ3-CZ 3.91Å
41	M	91.4	Very high	93	Very high	127 Å²	127	68.2 Å²	68.2	63%	0.626	31%	0.308	S	S	*	.	H	α-helix	trans	-60.9	-30.1	-179.4	-69.4	-59.3	-71.8	0	0	113.3	H39 R44 Y45	H39-M41 VanDerWaalsContact C-N 3.26Å; H39-M41 PolarHBondContact O-N 2.79Å; H39-M41 VanDerWaalsContact O-N 3.16Å; M41-R44 WeakPolarHBondContact O-CG 3.19Å; M41-R44 PolarHBondContact O-NE 3.06Å; M41-Y45 WeakPolarHBondContact O-CE2 3.42Å
42	T	89.3	Confident	92.9	Very high	86 Å²	86	70.8 Å²	70.8	53%	0.528	32%	0.321	S	S	.	.	H	α-helix	trans	-87.2	-37.9	174.7	-53.6	0	0	0	0	111.2	H39 W40 Y45	H39-T42 PolarHBondContact O-N 3.03Å; W40-T42 PolarHBondContact O-N 3.23Å; T42-Y45 WeakPolarHBondContact O-CD2 3.39Å
43	M	89.2	Confident	93	Very high	54 Å²	54	71.6 Å²	71.6	27%	0.266	33%	0.325	S	S	.	.	H	α-helix	trans	-77.6	-24.1	-173.6	-66.9	-63.1	-159.6	0	0	114.3	Y36 H39 W40 Y45 I46 Y47	Y36-M43 HydrophobicContact CD1-CE 4.11Å; Y36-M43 HydrophobicContact CD1-CG 4.22Å; Y36-M43 HydrophobicContact CD1-SD 4.48Å; Y36-M43 HydrophobicContact CE1-CE 4.1Å; H39-M43 HydrophobicContact CB-CG 4.22Å; H39-M43 WeakPolarHBondContact O-CG 3.41Å; H39-M43 PolarHBondContact O-N 2.83Å; W40-M43 HydrophobicContact CE3-CB 4.4Å; W40-M43 PolarHBondContact O-N 3.05Å; W40-M43 VanDerWaalsContact O-N 3.14Å; M43-Y45 PolarHBondContact O-N 3.16Å; M43-I46 PolarHBondContact O-N 2.9Å; M43-Y47 HydrophobicContact CB-CD2 4.36Å; M43-Y47 PolarHBondContact O-N 3.21Å; M43-Y47 HydrophobicContact SD-CD2 4.43Å; M43-Y47 HydrophobicContact SD-CE2 4.37Å
44	R	91.4	Very high	92.9	Very high	108 Å²	108	72.6 Å²	72.6	41%	0.408	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-17.4	-176.3	68.7	-178.7	-174.9	148.2	2.8	115.7	W40 M41 I46	W40-R44 HydrophobicContact CD2-CB 4.44Å; W40-R44 HydrophobicContact CH2-CB 4.44Å; W40-R44 HydrophobicContact CZ2-CB 3.87Å; W40-R44 WeakPolarHBondContact O-CB 3.46Å; W40-R44 PolarHBondContact O-N 3.02Å; M41-R44 WeakPolarHBondContact O-CG 3.19Å; M41-R44 PolarHBondContact O-NE 3.06Å; R44-I46 VanDerWaalsContact C-N 3.27Å
45	Y	88.5	Confident	92.7	Very high	140 Å²	140	72.2 Å²	72.2	55%	0.549	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-17.4	176.2	-60	-76.9	0	0	0	112.3	M41 T42 M43	M41-Y45 WeakPolarHBondContact O-CE2 3.42Å; T42-Y45 WeakPolarHBondContact O-CD2 3.39Å; M43-Y45 PolarHBondContact O-N 3.16Å
46	I	89.9	Confident	92.7	Very high	23 Å²	23	76 Å²	76	12%	0.118	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-51.1	-176.8	-57.6	-174.2	0	0	0	109.9	M43 R44 L102 V103 I131 L136 V140	M43-I46 PolarHBondContact O-N 2.9Å; R44-I46 VanDerWaalsContact C-N 3.27Å; I46-L102 HydrophobicContact CG2-CD2 4.06Å; I46-L102 WeakPolarHBondContact O-CA 3.4Å; I46-V103 PolarHBondContact O-N 3.36Å; I46-I131 HydrophobicContact CG2-CD1 3.55Å; I46-L136 HydrophobicContact CD1-CD2 3.98Å; I46-L136 HydrophobicContact CG1-CD2 3.94Å; I46-V140 HydrophobicContact CD1-CG2 4.02Å
47	Y	92.7	Very high	92.6	Very high	3 Å²	3	75.8 Å²	75.8	1%	0.012	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-105.8	141.9	-172.1	-63.1	-63.2	0	0	0	111.3	M32 Y36 W40 M43 M78 E80 I94 V101 L102	M32-Y47 HydrophobicContact CE-CD1 4.42Å; M32-Y47 HydrophobicContact CE-CG 4.3Å; Y36-Y47 HydrophobicContact CE1-CD2 4.45Å; Y36-Y47 HydrophobicContact CE1-CE2 4.05Å; W40-Y47 VanDerWaalsContact CH2-O 3.27Å; W40-Y47 WeakPolarHBondContact CH2-O 3.42Å; M43-Y47 HydrophobicContact CB-CD2 4.36Å; M43-Y47 PolarHBondContact O-N 3.21Å; M43-Y47 HydrophobicContact SD-CD2 4.43Å; M43-Y47 HydrophobicContact SD-CE2 4.37Å; Y47-M78 HydrophobicContact CE1-CE 3.96Å; Y47-M78 HydrophobicContact CE1-SD 4.41Å; Y47-E80 PolarHBondContact OH-OE1 2.79Å; Y47-I94 HydrophobicContact CD1-CD1 3.93Å; Y47-I94 HydrophobicContact CD2-CD1 4.41Å; Y47-I94 HydrophobicContact CE1-CD1 3.52Å; Y47-I94 HydrophobicContact CE2-CD1 4.02Å; Y47-I94 HydrophobicContact CG-CD1 4.37Å; Y47-V101 WeakPolarHBondContact CA-O 3.48Å; Y47-V101 HydrophobicContact CD1-CG1 4.21Å; Y47-L102 HydrophobicContact CD1-CD2 3.61Å; Y47-L102 HydrophobicContact CE1-CD2 3.48Å; Y47-L102 VanDerWaalsContact CE1-CD2 3.48Å
48	Q	94.3	Very high	92.3	Very high	102 Å²	102	74.1 Å²	74.1	48%	0.477	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-77.7	147.2	166.4	-168.8	63.5	35.8	0	0	109.5	M32 W40 K100 V101	M32-Q48 WeakPolarHBondContact CE-O 3.47Å; W40-Q48 VanDerWaalsContact CH2-C 3.48Å; Q48-K100 WeakPolarHBondContact CB-O 3.24Å; Q48-V101 PolarHBondContact N-O 3.2Å
49	R	94.9	Very high	92.1	Very high	168 Å²	168	71.4 Å²	71.4	63%	0.634	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-61.9	128.2	179.6	-164.9	174.8	174.5	-124.6	-0.6	110.1	W40 F53	W40-R49 HydrophobicContact CH2-CB 3.86Å; W40-R49 HydrophobicContact CH2-CG 4.36Å; W40-R49 VanDerWaalsContact CH2-N 3.28Å; W40-R49 HydrophobicContact CZ2-CB 3.49Å; W40-R49 VanDerWaalsContact CZ2-CB 3.49Å; W40-R49 HydrophobicContact CZ2-CG 3.94Å; R49-F53 HydrophobicContact CG-CE2 3.9Å; R49-F53 HydrophobicContact CG-CZ 4.18Å
50	P	95.2	Very high	91.8	Very high	10 Å²	10	70.2 Å²	70.2	7%	0.065	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-72.3	166.9	173.2	35	-37.9	0	0	0	110.4	M32 L52 F53	M32-P50 HydrophobicContact CB-CB 4.39Å; M32-P50 HydrophobicContact CB-CG 3.88Å; M32-P50 HydrophobicContact CG-CB 3.83Å; M32-P50 HydrophobicContact CG-CG 3.64Å; M32-P50 HydrophobicContact SD-CB 4.33Å; M32-P50 HydrophobicContact SD-CG 3.83Å; P50-L52 PolarHBondContact O-N 3.3Å; P50-F53 HydrophobicContact CG-CD1 3.86Å; P50-F53 HydrophobicContact CG-CD2 4.14Å; P50-F53 HydrophobicContact CG-CE1 3.57Å; P50-F53 HydrophobicContact CG-CE2 3.88Å; P50-F53 HydrophobicContact CG-CG 4.14Å; P50-F53 HydrophobicContact CG-CZ 3.59Å
51	E	95	Very high	91.4	Very high	111 Å²	111	74.4 Å²	74.4	52%	0.519	35%	0.348	S	S	.	.	S	Bend	trans	-66.7	-29.8	172.7	-65.5	-62.1	157.6	0	0	112.1	S30 P67 H69	S30-E51 PolarHBondContact OG-N 3.22Å; E51-P67 HydrophobicContact CB-CB 3.81Å; E51-P67 HydrophobicContact CB-CG 3.27Å; E51-P67 HydrophobicContact CG-CB 4.35Å; E51-P67 HydrophobicContact CG-CG 4.25Å; E51-H69 IonicContact OE1-CD2 3.14Å; E51-H69 PolarHBondContact OE1-CD2 2.67Å
52	L	95.8	Very high	91.2	Very high	54 Å²	54	69.5 Å²	69.5	28%	0.283	33%	0.325	S	S	.	.			trans	-147.4	132.9	-179.7	-177.3	65.9	0	0	0	111.9	C31 M32 P50 I66 P67	C31-L52 CarbonylContact C-O 3.49Å; C31-L52 WeakPolarHBondContact CA-O 3.21Å; M32-L52 PolarHBondContact N-O 2.78Å; P50-L52 PolarHBondContact O-N 3.3Å; L52-I66 HydrophobicContact CD2-CD1 3.67Å; L52-P67 HydrophobicContact CB-CG 3.83Å
53	F	96.3	Very high	90.7	Very high	21 Å²	21	66.7 Å²	66.7	9%	0.092	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-93.6	121.3	162.9	-67.3	-79.7	0	0	0	109.3	M32 Q37 W40 R49 P50	M32-F53 HydrophobicContact CB-CD1 3.89Å; M32-F53 HydrophobicContact CB-CE1 4.01Å; M32-F53 CarbonylContact O-C 3.55Å; M32-F53 VanDerWaalsContact O-CA 3.27Å; M32-F53 WeakPolarHBondContact O-CA 3.27Å; M32-F53 HydrophobicContact SD-CE1 4.13Å; Q37-F53 HydrophobicContact CB-CB 4Å; Q37-F53 HydrophobicContact CB-CD1 3.83Å; Q37-F53 HydrophobicContact CB-CD2 4.1Å; Q37-F53 HydrophobicContact CB-CE1 4.29Å; Q37-F53 HydrophobicContact CB-CG 3.72Å; Q37-F53 HydrophobicContact CG-CB 4.46Å; Q37-F53 HydrophobicContact CG-CD2 4.11Å; Q37-F53 HydrophobicContact CG-CG 4.2Å; W40-F53 HydrophobicContact CD2-CZ 4.01Å; W40-F53 HydrophobicContact CE3-CE1 4.09Å; W40-F53 AromaticContact CE3-CZ 3.56Å; W40-F53 HydrophobicContact CE3-CZ 3.56Å; W40-F53 HydrophobicContact CZ3-CE1 4.38Å; W40-F53 AromaticContact CZ3-CZ 3.91Å; W40-F53 HydrophobicContact CZ3-CZ 3.91Å; R49-F53 HydrophobicContact CG-CE2 3.9Å; R49-F53 HydrophobicContact CG-CZ 4.18Å; P50-F53 HydrophobicContact CG-CD1 3.86Å; P50-F53 HydrophobicContact CG-CD2 4.14Å; P50-F53 HydrophobicContact CG-CE1 3.57Å; P50-F53 HydrophobicContact CG-CE2 3.88Å; P50-F53 HydrophobicContact CG-CG 4.14Å; P50-F53 HydrophobicContact CG-CZ 3.59Å
54	S	94.6	Very high	90.4	Very high	21 Å²	21	75.5 Å²	75.5	15%	0.147	34%	0.338	C	S	.	.			trans	-165	138.7	179.5	-171.9	0	0	0	0	110.8	M32 R56 C57	M32-S54 PolarHBondContact O-N 2.91Å; S54-R56 PolarHBondContact O-N 3.27Å; S54-R56 WeakPolarHBondContact OG-CB 3.34Å; S54-R56 PolarHBondContact OG-N 3.04Å; S54-R56 PolarHBondContact OG-NE 2.79Å; S54-C57 WeakPolarHBondContact O-CB 3.27Å; S54-C57 PolarHBondContact O-N 3.04Å
55	D	91.2	Very high	90.2	Very high	92 Å²	92	73.4 Å²	73.4	49%	0.492	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-67.5	-15.2	174.6	-60.4	-32.6	0	0	0	113.1	Y34 C57 N58	Y34-D55 VanDerWaalsContact CB-OD1 3.26Å; Y34-D55 WeakPolarHBondContact CB-OD1 3.4Å; Y34-D55 PolarHBondContact N-OD1 2.05Å; D55-C57 PolarHBondContact O-N 2.93Å; D55-C57 VanDerWaalsContact O-N 3.13Å; D55-N58 VanDerWaalsContact O-CB 3.27Å; D55-N58 WeakPolarHBondContact O-CB 3.48Å; D55-N58 VanDerWaalsContact O-CG 3.32Å; D55-N58 PolarHBondContact O-N 3.03Å
56	R	91.7	Very high	90.5	Very high	105 Å²	105	67.2 Å²	67.2	40%	0.396	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-60.8	-16.1	167.9	-66.5	-167.9	-63.1	170.8	1	113.4	S54 N58 E59 P63 R64 I66	S54-R56 PolarHBondContact O-N 3.27Å; S54-R56 WeakPolarHBondContact OG-CB 3.34Å; S54-R56 PolarHBondContact OG-N 3.04Å; S54-R56 PolarHBondContact OG-NE 2.79Å; R56-N58 PolarHBondContact O-N 2.88Å; R56-E59 WeakPolarHBondContact O-CB 3.26Å; R56-E59 PolarHBondContact O-N 2.85Å; R56-P63 HydrophobicContact CB-CG 3.77Å; R56-P63 HydrophobicContact CG-CG 4.36Å; R56-R64 PolarHBondContact NH1-O 3.14Å; R56-I66 HydrophobicContact CB-CD1 4.22Å
57	C	92.1	Very high	90.7	Very high	0 Å²	0	68 Å²	68	0%	0	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-64	-20.6	172.9	-159.1	0	0	0	0	112.8	C31 S54 D55 E59 R95	C31-C57 HydrophobicContact CB-CB 3.75Å; C31-C57 WeakPolarHBondContact CB-SG 3.41Å; C31-C57 PolarHBondContact O-SG 3.43Å; C31-C57 VanDerWaalsContact SG-CA 3.56Å; C31-C57 WeakPolarHBondContact SG-CB 3.36Å; C31-C57 CovalentContact SG-SG 2.05Å; C31-C57 PolarHBondContact SG-SG 3.33Å; S54-C57 WeakPolarHBondContact O-CB 3.27Å; S54-C57 PolarHBondContact O-N 3.04Å; D55-C57 PolarHBondContact O-N 2.93Å; D55-C57 VanDerWaalsContact O-N 3.13Å; C57-E59 VanDerWaalsContact C-N 3.3Å; C57-R95 PolarHBondContact O-NE 3.35Å; C57-R95 PolarHBondContact O-NH2 2.94Å
58	N	89.5	Confident	90.7	Very high	47 Å²	47	70.1 Å²	70.1	25%	0.251	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-81.2	-12.2	-178.5	-56.3	-3.8	0	0	0	112.3	S33 D55 R56 Y91 Y93	S33-N58 PolarHBondContact OG-OD1 2.56Å; D55-N58 VanDerWaalsContact O-CB 3.27Å; D55-N58 WeakPolarHBondContact O-CB 3.48Å; D55-N58 VanDerWaalsContact O-CG 3.32Å; D55-N58 PolarHBondContact O-N 3.03Å; R56-N58 PolarHBondContact O-N 2.88Å; N58-Y91 PolarHBondContact ND2-O 2.84Å; N58-Y93 HydrophobicContact CB-CD2 3.62Å; N58-Y93 HydrophobicContact CB-CE2 3.86Å; N58-Y93 HydrophobicContact CB-CG 4.33Å; N58-Y93 VanDerWaalsContact CG-CD2 3.41Å; N58-Y93 WeakPolarHBondContact OD1-CB 3.42Å; N58-Y93 WeakPolarHBondContact OD1-CD2 3.36Å
59	E	87.7	Confident	90.7	Very high	76 Å²	76	68.1 Å²	68.1	36%	0.355	34%	0.336	S	S	.	.	S	Bend	trans	-66.3	144.7	-175.1	-70.5	178.9	-154.4	0	0	112.1	R56 C57 F61 P63 R95	R56-E59 WeakPolarHBondContact O-CB 3.26Å; R56-E59 PolarHBondContact O-N 2.85Å; C57-E59 VanDerWaalsContact C-N 3.3Å; E59-F61 WeakPolarHBondContact CB-O 3.33Å; E59-F61 PolarHBondContact O-N 3.04Å; E59-P63 WeakPolarHBondContact OE2-CG 3.19Å; E59-R95 PolarHBondContact O-NH2 2.93Å
60	P	83.2	Confident	90.7	Very high	77 Å²	77	64.4 Å²	64.4	50%	0.5	33%	0.329	S	S	.	.	S	Bend	trans	-69.6	-17.9	179.2	28.1	-34.7	0	0	0	112.9	G157 T158	P60-G157 WeakPolarHBondContact O-CA 3.41Å; P60-T158 HydrophobicContact CB-CG2 4.38Å; P60-T158 PolarHBondContact O-N 3.24Å
61	F	85.2	Confident	90.5	Very high	137 Å²	137	64 Å²	64	60%	0.601	33%	0.326	S	S	*	.	B	Isolated β-bridge	trans	-130.9	131.4	172.1	-59.3	-74.7	0	0	0	108.2	E59 P63 G156	E59-F61 WeakPolarHBondContact CB-O 3.33Å; E59-F61 PolarHBondContact O-N 3.04Å; F61-P63 VanDerWaalsContact O-CD 3.26Å; F61-P63 WeakPolarHBondContact O-CD 3.04Å; F61-G156 CarbonylContact C-O 3.29Å; F61-G156 WeakPolarHBondContact CA-O 3.41Å
62	M	86.9	Confident	90.3	Very high	25 Å²	25	62.6 Å²	62.6	12%	0.123	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-66.7	119.5	-174.5	-157.9	58.8	53.4	0	0	110.6	Y29 I66 G156	Y29-M62 HydrophobicContact CD1-CB 4.34Å; Y29-M62 HydrophobicContact CD1-CG 3.51Å; Y29-M62 HydrophobicContact CD2-CB 3.96Å; Y29-M62 HydrophobicContact CD2-CE 4.3Å; Y29-M62 HydrophobicContact CD2-CG 3.83Å; Y29-M62 HydrophobicContact CE1-CB 4.04Å; Y29-M62 HydrophobicContact CE1-CG 3.56Å; Y29-M62 HydrophobicContact CE2-CB 3.6Å; Y29-M62 HydrophobicContact CE2-CG 3.85Å; Y29-M62 HydrophobicContact CG-CB 4.29Å; Y29-M62 HydrophobicContact CG-CE 4.28Å; Y29-M62 HydrophobicContact CG-CG 3.64Å; Y29-M62 HydrophobicContact CG-SD 4.4Å; M62-I66 HydrophobicContact CG-CB 3.62Å; M62-I66 HydrophobicContact CG-CG1 3.8Å; M62-I66 HydrophobicContact CG-CG2 3.95Å; M62-I66 HydrophobicContact SD-CB 3.72Å; M62-I66 HydrophobicContact SD-CG1 3.51Å; M62-I66 VanDerWaalsContact SD-CG1 3.51Å; M62-I66 HydrophobicContact SD-CG2 3.62Å; M62-G156 PolarHBondContact N-O 2.99Å
63	P	79.3	Confident	90	Very high	26 Å²	26	62.2 Å²	62.2	17%	0.169	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-70.6	162.1	179.5	24.9	-29.1	0	0	0	110.8	R56 E59 F61 G65 I66	R56-P63 HydrophobicContact CB-CG 3.77Å; R56-P63 HydrophobicContact CG-CG 4.36Å; E59-P63 WeakPolarHBondContact OE2-CG 3.19Å; F61-P63 VanDerWaalsContact O-CD 3.26Å; F61-P63 WeakPolarHBondContact O-CD 3.04Å; P63-G65 PolarHBondContact O-N 3.37Å; P63-I66 HydrophobicContact CG-CD1 4.48Å; P63-I66 HydrophobicContact CG-CG1 4Å
64	R	83.8	Confident	89.8	Confident	240 Å²	240	61.6 Å²	61.6	91%	0.906	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	140.1	172.6	-64.8	-174.9	-166.9	170.7	4.1	109.7	R56	R56-R64 PolarHBondContact NH1-O 3.14Å
65	G	87.5	Confident	89.8	Confident	63 Å²	63	60.6 Å²	60.6	65%	0.649	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.8	0.3	177.4	0	0	0	0	0	115.1	P63	P63-G65 PolarHBondContact O-N 3.37Å
66	I	93.1	Very high	89.9	Confident	10 Å²	10	56.3 Å²	56.3	5%	0.051	29%	0.291	C	S	.	.			trans	-78.8	122.6	166.4	-55.5	-61	0	0	0	108.8	Y29 C31 L52 R56 M62 P63	Y29-I66 HydrophobicContact CD1-CB 4.18Å; Y29-I66 HydrophobicContact CD1-CG2 3.96Å; Y29-I66 HydrophobicContact CG-CG2 4.47Å; C31-I66 HydrophobicContact CB-CG2 3.93Å; L52-I66 HydrophobicContact CD2-CD1 3.67Å; R56-I66 HydrophobicContact CB-CD1 4.22Å; M62-I66 HydrophobicContact CG-CB 3.62Å; M62-I66 HydrophobicContact CG-CG1 3.8Å; M62-I66 HydrophobicContact CG-CG2 3.95Å; M62-I66 HydrophobicContact SD-CB 3.72Å; M62-I66 HydrophobicContact SD-CG1 3.51Å; M62-I66 VanDerWaalsContact SD-CG1 3.51Å; M62-I66 HydrophobicContact SD-CG2 3.62Å; P63-I66 HydrophobicContact CG-CD1 4.48Å; P63-I66 HydrophobicContact CG-CG1 4Å
67	P	95	Very high	90.1	Very high	40 Å²	40	52.1 Å²	52.1	26%	0.26	28%	0.278	S	S	.	.			trans	-67.4	157.6	-177.6	27.9	-36.1	0	0	0	112.2	Y29 S30 E51 L52	Y29-P67 WeakPolarHBondContact CA-O 3.45Å; S30-P67 PolarHBondContact N-O 3.06Å; E51-P67 HydrophobicContact CB-CB 3.81Å; E51-P67 HydrophobicContact CB-CG 3.27Å; E51-P67 HydrophobicContact CG-CB 4.35Å; E51-P67 HydrophobicContact CG-CG 4.25Å; L52-P67 HydrophobicContact CB-CG 3.83Å
68	V	93.8	Very high	90.2	Very high	48 Å²	48	52.1 Å²	52.1	29%	0.291	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	135.5	-177.7	-166.9	0	0	0	0	108.2	H27 C28 Y29 R153	H27-V68 HydrophobicContact CB-CG1 3.57Å; C28-V68 CarbonylContact O-C 3.5Å; C28-V68 WeakPolarHBondContact O-CA 3.1Å; C28-V68 VanDerWaalsContact O-CG1 3.31Å; C28-V68 WeakPolarHBondContact O-CG1 3.28Å; Y29-V68 HydrophobicContact CD1-CG2 3.69Å; Y29-V68 HydrophobicContact CE1-CG2 3.68Å; V68-R153 HydrophobicContact CG1-CG 4.39Å
69	H	93.3	Very high	90.3	Very high	59 Å²	59	52.5 Å²	52.5	27%	0.273	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	149.2	-179.2	-168.5	-78.3	0	0	0	110.6	H27 C28 E51	H27-H69 WeakPolarHBondContact CA-O 3.3Å; C28-H69 PolarHBondContact N-O 3Å; C28-H69 PolarHBondContact O-N 3.11Å; E51-H69 IonicContact OE1-CD2 3.14Å; E51-H69 PolarHBondContact OE1-CD2 2.67Å
70	N	94	Very high	90.5	Very high	91 Å²	91	49.6 Å²	49.6	49%	0.487	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	117.8	175.4	-65.4	-5.3	0	0	0	109.5	I25 H27	I25-N70 HydrophobicContact CG2-CB 3.78Å; H27-N70 PolarHBondContact CE1-OD1 3.25Å; H27-N70 PolarHBondContact ND1-OD1 3.27Å
71	C	92.7	Very high	91	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	140.8	-179.1	-48.6	0	0	0	0	109.8	I25 I26 C28 N73 C97	I25-C71 WeakPolarHBondContact CA-O 3.36Å; I26-C71 HydrophobicContact CG1-CB 3.91Å; I26-C71 PolarHBondContact N-O 2.95Å; I26-C71 PolarHBondContact O-N 2.81Å; C28-C71 WeakPolarHBondContact CB-SG 3.27Å; C28-C71 PolarHBondContact SG-SG 2.89Å; C71-N73 VanDerWaalsContact C-N 3.31Å; C71-N73 VanDerWaalsContact CB-O 3.27Å; C71-N73 WeakPolarHBondContact CB-O 3.48Å; C71-C97 VanDerWaalsContact CA-SG 3.57Å; C71-C97 HydrophobicContact CB-CB 3.54Å; C71-C97 WeakPolarHBondContact CB-SG 3.23Å; C71-C97 VanDerWaalsContact SG-CA 3.59Å; C71-C97 WeakPolarHBondContact SG-CB 3.01Å; C71-C97 CovalentContact SG-SG 2.01Å; C71-C97 PolarHBondContact SG-SG 3.46Å
72	T	90.7	Very high	91.2	Very high	82 Å²	82	44 Å²	44	50%	0.503	24%	0.237	S	C	.	.	S	Bend	trans	-92.8	0.5	169.4	55.2	0	0	0	0	112	M23	M23-T72 WeakPolarHBondContact CB-O 3.26Å; M23-T72 VanDerWaalsContact SD-O 3.33Å
73	N	89.1	Confident	91.3	Very high	46 Å²	46	46.8 Å²	46.8	25%	0.246	26%	0.255	C	S	.	.	S	Bend	trans	-139.5	179.9	-177.5	-157.7	-16.2	0	0	0	109.2	I26 C71 A98 D99	I26-N73 WeakPolarHBondContact CD1-O 3Å; I26-N73 WeakPolarHBondContact CG1-O 3.43Å; C71-N73 VanDerWaalsContact C-N 3.31Å; C71-N73 VanDerWaalsContact CB-O 3.27Å; C71-N73 WeakPolarHBondContact CB-O 3.48Å; N73-A98 HydrophobicContact CB-CB 4.5Å; N73-D99 HydrophobicContact CB-CB 4.3Å
74	I	92	Very high	91.7	Very high	9 Å²	9	51.3 Å²	51.3	5%	0.046	27%	0.272	C	S	.	.			trans	-59.3	153.2	-176.7	66.9	178	0	0	0	113.5	V76 A98 F116 C149	I74-V76 HydrophobicContact CD1-CG1 4.41Å; I74-V76 HydrophobicContact CG1-CG1 4.25Å; I74-A98 HydrophobicContact CD1-CB 4.47Å; I74-A98 HydrophobicContact CG1-CB 3.69Å; I74-A98 PolarHBondContact O-N 2.04Å; I74-F116 HydrophobicContact CD1-CB 3.64Å; I74-F116 WeakPolarHBondContact CD1-O 2.89Å; I74-C149 WeakPolarHBondContact CB-O 3.43Å
75	C	94.3	Very high	91.9	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	143.5	166.3	-51.1	0	0	0	0	109.8	C28 G148 C149 C154 N155	C28-C75 HydrophobicContact CB-CB 3.66Å; C28-C75 WeakPolarHBondContact CB-SG 3.44Å; C28-C75 WeakPolarHBondContact SG-CA 3.37Å; C28-C75 WeakPolarHBondContact SG-CB 3.47Å; C28-C75 CovalentContact SG-SG 2.01Å; C28-C75 PolarHBondContact SG-SG 3.28Å; C75-G148 WeakPolarHBondContact O-CA 3.41Å; C75-C149 PolarHBondContact N-O 3.23Å; C75-C149 PolarHBondContact O-N 2.89Å; C75-C154 VanDerWaalsContact SG-SG 3.61Å; C75-N155 HydrophobicContact CB-CB 3.65Å
76	V	94.3	Very high	91.9	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.006	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	150.3	175	-63.6	0	0	0	0	111.7	I74 R95 G96 A98 V101 C147 N155	I74-V76 HydrophobicContact CD1-CG1 4.41Å; I74-V76 HydrophobicContact CG1-CG1 4.25Å; V76-R95 WeakPolarHBondContact O-CA 3.06Å; V76-G96 WeakPolarHBondContact CG2-O 2.99Å; V76-G96 PolarHBondContact N-O 3.46Å; V76-G96 PolarHBondContact O-N 2.84Å; V76-A98 HydrophobicContact CG1-CB 3.82Å; V76-V101 HydrophobicContact CG2-CB 4.3Å; V76-V101 HydrophobicContact CG2-CG2 3.73Å; V76-C147 CarbonylContact C-O 3.58Å; V76-C147 VanDerWaalsContact CA-O 3.28Å; V76-C147 WeakPolarHBondContact CA-O 3.45Å; V76-N155 PolarHBondContact O-ND2 3.26Å
77	T	94.4	Very high	91.7	Very high	18 Å²	18	49.2 Å²	49.2	11%	0.11	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	119.9	164.9	-58.5	0	0	0	0	108	Y93 I94 R95 I146 C147	T77-Y93 HydrophobicContact CG2-CD1 4.15Å; T77-I94 CarbonylContact C-O 3.52Å; T77-I94 WeakPolarHBondContact CA-O 3.06Å; T77-R95 HydrophobicContact CG2-CG 3.97Å; T77-I146 CarbonylContact O-C 3.57Å; T77-I146 WeakPolarHBondContact O-CA 3.28Å; T77-C147 PolarHBondContact N-O 2.8Å; T77-C147 PolarHBondContact O-N 3.45Å
78	M	93.8	Very high	91.5	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	136.2	171.8	-60.4	167.4	64.2	0	0	108.5	Y47 Y93 I94 V101 F106 V144 H145 I146	Y47-M78 HydrophobicContact CE1-CE 3.96Å; Y47-M78 HydrophobicContact CE1-SD 4.41Å; M78-Y93 CarbonylContact O-C 3.55Å; M78-Y93 VanDerWaalsContact O-CA 3.3Å; M78-Y93 WeakPolarHBondContact O-CA 3.33Å; M78-I94 HydrophobicContact CB-CB 4.19Å; M78-I94 PolarHBondContact N-O 2.96Å; M78-I94 PolarHBondContact O-N 3.44Å; M78-V101 HydrophobicContact SD-CG1 3.87Å; M78-F106 HydrophobicContact SD-CE1 4.33Å; M78-F106 HydrophobicContact SD-CZ 3.99Å; M78-V144 HydrophobicContact CB-CG1 3.73Å; M78-V144 HydrophobicContact CE-CG1 3.78Å; M78-V144 HydrophobicContact CE-CG2 4.37Å; M78-V144 HydrophobicContact CG-CG1 4.1Å; M78-H145 CarbonylContact C-O 3.51Å; M78-H145 WeakPolarHBondContact CA-O 3.38Å; M78-I146 HydrophobicContact CG-CB 4.31Å; M78-I146 HydrophobicContact CG-CD1 4.11Å; M78-I146 HydrophobicContact CG-CG1 4.12Å
79	K	93.4	Very high	91.3	Very high	55 Å²	55	54.4 Å²	54.4	24%	0.239	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	124.1	177.5	175.5	-173.6	178.6	179.2	0	108.3	Y91 N92 Y93 H145	K79-Y91 HydrophobicContact CD-CD1 4.12Å; K79-Y91 HydrophobicContact CD-CG 4.24Å; K79-Y91 VanDerWaalsContact CE-CD2 3.4Å; K79-Y91 HydrophobicContact CG-CD1 3.82Å; K79-Y91 HydrophobicContact CG-CG 4.07Å; K79-N92 WeakPolarHBondContact CA-O 3.47Å; K79-Y93 HydrophobicContact CB-CD1 4.19Å; K79-Y93 HydrophobicContact CB-CE1 3.99Å; K79-Y93 HydrophobicContact CD-CE1 3.98Å; K79-Y93 HydrophobicContact CD-CE2 4.45Å; K79-Y93 WeakPolarHBondContact CD-OH 3.38Å; K79-Y93 WeakPolarHBondContact CE-OH 3.25Å; K79-Y93 HydrophobicContact CG-CD1 4.43Å; K79-Y93 HydrophobicContact CG-CE1 3.92Å; K79-Y93 HydrophobicContact CG-CE2 4.14Å; K79-H145 HydrophobicContact CB-CB 4.23Å; K79-H145 PolarHBondContact N-O 2.85Å; K79-H145 PolarHBondContact O-N 3.32Å
80	E	91.8	Very high	91.2	Very high	15 Å²	15	52.7 Å²	52.7	7%	0.07	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	133.8	-174.6	-49	-165.7	142.1	0	0	109.3	Y36 Y47 Y91 N92 R127 V144	Y36-E80 WeakPolarHBondContact OH-CG 3.4Å; Y36-E80 PolarHBondContact OH-OE2 2.75Å; Y47-E80 PolarHBondContact OH-OE1 2.79Å; E80-Y91 CarbonylContact O-C 3.56Å; E80-Y91 VanDerWaalsContact O-CA 3.22Å; E80-Y91 WeakPolarHBondContact O-CA 3.33Å; E80-N92 PolarHBondContact N-O 2.73Å; E80-N92 PolarHBondContact O-N 2.88Å; E80-R127 IonicContact OE1-CZ 3.44Å; E80-R127 IonicContact OE1-NE 2.75Å; E80-R127 PolarHBondContact OE1-NE 3.17Å; E80-R127 IonicContact OE1-NH2 3.9Å; E80-R127 PolarHBondContact OE1-NH2 3.27Å; E80-R127 IonicContact OE2-CZ 3.2Å; E80-R127 IonicContact OE2-NE 2.84Å; E80-R127 IonicContact OE2-NH2 3.79Å; E80-R127 PolarHBondContact OE2-NH2 3.43Å; E80-R127 VanDerWaalsContact OE2-NH2 3.14Å; E80-V144 HydrophobicContact CG-CG1 4.17Å; E80-V144 HydrophobicContact CG-CG2 4.14Å; E80-V144 VanDerWaalsContact OE1-CG2 3.23Å; E80-V144 WeakPolarHBondContact OE1-CG2 3.16Å
81	P	91.8	Very high	91.1	Very high	52 Å²	52	53.1 Å²	53.1	34%	0.338	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	135.4	176.8	27.5	-32.5	0	0	0	110.8	V83 I88 Y91	P81-V83 HydrophobicContact CB-CG2 4.24Å; P81-I88 HydrophobicContact CB-CD1 4.43Å; P81-I88 HydrophobicContact CB-CG1 4.32Å; P81-I88 HydrophobicContact CB-CG2 4.09Å; P81-Y91 HydrophobicContact CB-CD1 4.09Å; P81-Y91 HydrophobicContact CB-CE1 3.91Å
82	E	90.2	Very high	91.2	Very high	44 Å²	44	54 Å²	54	21%	0.206	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	109.8	168.3	-171.3	-174.2	175.6	0	0	108.6	K84 I88 L89 G90	E82-K84 WeakPolarHBondContact OE1-CE 3.33Å; E82-K84 IonicContact OE1-NZ 2.74Å; E82-K84 PolarHBondContact OE1-NZ 3.14Å; E82-I88 CarbonylContact O-C 3.51Å; E82-I88 WeakPolarHBondContact O-CA 3.17Å; E82-L89 PolarHBondContact O-N 3.41Å; E82-G90 PolarHBondContact N-O 3.2Å
83	V	88.4	Confident	91.3	Very high	84 Å²	84	52 Å²	52	51%	0.509	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	124	-176.9	-176.7	0	0	0	0	110.1	P81 I87 I88	P81-V83 HydrophobicContact CB-CG2 4.24Å; V83-I87 WeakPolarHBondContact CA-O 3.23Å; V83-I88 HydrophobicContact CG2-CG1 4.2Å
84	K	87.9	Confident	91.7	Very high	120 Å²	120	49.9 Å²	49.9	52%	0.522	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	126.4	169.7	-61.4	-171.3	-171.2	149.3	0	109.2	E82 G86 I87 L89	E82-K84 WeakPolarHBondContact OE1-CE 3.33Å; E82-K84 IonicContact OE1-NZ 2.74Å; E82-K84 PolarHBondContact OE1-NZ 3.14Å; K84-G86 PolarHBondContact O-N 2.85Å; K84-G86 VanDerWaalsContact O-N 3.15Å; K84-I87 PolarHBondContact N-O 2.83Å; K84-I87 PolarHBondContact O-N 2.82Å; K84-L89 HydrophobicContact CB-CD1 3.72Å; K84-L89 HydrophobicContact CB-CG 4.33Å; K84-L89 HydrophobicContact CD-CD1 3.52Å; K84-L89 HydrophobicContact CG-CD1 3.7Å
85	G	88.7	Confident	91.8	Very high	89 Å²	89	50 Å²	50	92%	0.918	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	23.9	-178.5	0	0	0	0	0	114.9
86	G	88	Confident	91.9	Very high	70 Å²	70	50.1 Å²	50.1	72%	0.722	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.6	-2.1	-176	0	0	0	0	0	115.3	K84	K84-G86 PolarHBondContact O-N 2.85Å; K84-G86 VanDerWaalsContact O-N 3.15Å
87	I	88.3	Confident	91.9	Very high	111 Å²	111	50.1 Å²	50.1	57%	0.569	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.9	135.2	177.9	-56.3	174.8	0	0	0	109.4	V83 K84 L89	V83-I87 WeakPolarHBondContact CA-O 3.23Å; K84-I87 PolarHBondContact N-O 2.83Å; K84-I87 PolarHBondContact O-N 2.82Å; I87-L89 HydrophobicContact CG2-CD2 4.17Å; I87-L89 PolarHBondContact O-N 3.49Å
88	I	90.3	Very high	91.8	Very high	95 Å²	95	49.4 Å²	49.4	49%	0.487	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	107.3	171.3	-59.9	170.9	0	0	0	107.8	P81 E82 V83 G90	P81-I88 HydrophobicContact CB-CD1 4.43Å; P81-I88 HydrophobicContact CB-CG1 4.32Å; P81-I88 HydrophobicContact CB-CG2 4.09Å; E82-I88 CarbonylContact O-C 3.51Å; E82-I88 WeakPolarHBondContact O-CA 3.17Å; V83-I88 HydrophobicContact CG2-CG1 4.2Å; I88-G90 WeakPolarHBondContact CG2-O 3.31Å
89	L	89.5	Confident	91.6	Very high	102 Å²	102	52.1 Å²	52.1	53%	0.534	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	-19.9	179	-63.7	-176	0	0	0	112.9	E82 K84 I87	E82-L89 PolarHBondContact O-N 3.41Å; K84-L89 HydrophobicContact CB-CD1 3.72Å; K84-L89 HydrophobicContact CB-CG 4.33Å; K84-L89 HydrophobicContact CD-CD1 3.52Å; K84-L89 HydrophobicContact CG-CD1 3.7Å; I87-L89 HydrophobicContact CG2-CD2 4.17Å; I87-L89 PolarHBondContact O-N 3.49Å
90	G	91	Very high	91.6	Very high	23 Å²	23	54.7 Å²	54.7	24%	0.237	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173	-159.8	-175.6	0	0	0	0	0	111.3	E82 I88	E82-G90 PolarHBondContact N-O 3.2Å; I88-G90 WeakPolarHBondContact CG2-O 3.31Å
91	Y	92.6	Very high	91.7	Very high	100 Å²	100	54.3 Å²	54.3	39%	0.392	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	136.4	176.7	-65.7	-86.9	0	0	0	110.2	N58 K79 E80 P81	N58-Y91 PolarHBondContact ND2-O 2.84Å; K79-Y91 HydrophobicContact CD-CD1 4.12Å; K79-Y91 HydrophobicContact CD-CG 4.24Å; K79-Y91 VanDerWaalsContact CE-CD2 3.4Å; K79-Y91 HydrophobicContact CG-CD1 3.82Å; K79-Y91 HydrophobicContact CG-CG 4.07Å; E80-Y91 CarbonylContact O-C 3.56Å; E80-Y91 VanDerWaalsContact O-CA 3.22Å; E80-Y91 WeakPolarHBondContact O-CA 3.33Å; P81-Y91 HydrophobicContact CB-CD1 4.09Å; P81-Y91 HydrophobicContact CB-CE1 3.91Å
92	N	93.8	Very high	91.7	Very high	17 Å²	17	52.1 Å²	52.1	9%	0.091	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	145.2	167.9	-69.6	-47.3	0	0	0	109.4	S33 S35 Y36 K79 E80	S33-N92 WeakPolarHBondContact CB-OD1 3.32Å; S33-N92 WeakPolarHBondContact OG-CA 3.47Å; S35-N92 WeakPolarHBondContact CB-OD1 3.31Å; Y36-N92 HydrophobicContact CD2-CB 4.45Å; Y36-N92 HydrophobicContact CE2-CB 3.62Å; K79-N92 WeakPolarHBondContact CA-O 3.47Å; E80-N92 PolarHBondContact N-O 2.73Å; E80-N92 PolarHBondContact O-N 2.88Å
93	Y	94.8	Very high	91.7	Very high	42 Å²	42	53.7 Å²	53.7	17%	0.165	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	142.6	-176.9	-72.1	-107.8	0	0	0	110	M32 S33 N58 T77 M78 K79	M32-Y93 CarbonylContact C-O 3.59Å; M32-Y93 VanDerWaalsContact CA-O 3.28Å; M32-Y93 WeakPolarHBondContact CA-O 2.86Å; S33-Y93 PolarHBondContact N-O 2.86Å; S33-Y93 PolarHBondContact OG-N 3Å; S33-Y93 PolarHBondContact OG-O 3.47Å; N58-Y93 HydrophobicContact CB-CD2 3.62Å; N58-Y93 HydrophobicContact CB-CE2 3.86Å; N58-Y93 HydrophobicContact CB-CG 4.33Å; N58-Y93 VanDerWaalsContact CG-CD2 3.41Å; N58-Y93 WeakPolarHBondContact OD1-CB 3.42Å; N58-Y93 WeakPolarHBondContact OD1-CD2 3.36Å; T77-Y93 HydrophobicContact CG2-CD1 4.15Å; M78-Y93 CarbonylContact O-C 3.55Å; M78-Y93 VanDerWaalsContact O-CA 3.3Å; M78-Y93 WeakPolarHBondContact O-CA 3.33Å; K79-Y93 HydrophobicContact CB-CD1 4.19Å; K79-Y93 HydrophobicContact CB-CE1 3.99Å; K79-Y93 HydrophobicContact CD-CE1 3.98Å; K79-Y93 HydrophobicContact CD-CE2 4.45Å; K79-Y93 WeakPolarHBondContact CD-OH 3.38Å; K79-Y93 WeakPolarHBondContact CE-OH 3.25Å; K79-Y93 HydrophobicContact CG-CD1 4.43Å; K79-Y93 HydrophobicContact CG-CE1 3.92Å; K79-Y93 HydrophobicContact CG-CE2 4.14Å
94	I	95.4	Very high	91.6	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	131.1	170.5	-57.8	167.3	0	0	0	107	M32 Y36 Y47 T77 M78 V101	M32-I94 HydrophobicContact CE-CB 4.43Å; M32-I94 HydrophobicContact CE-CD1 4.43Å; M32-I94 HydrophobicContact CE-CG1 4.27Å; M32-I94 HydrophobicContact CE-CG2 3.46Å; M32-I94 VanDerWaalsContact CE-CG2 3.46Å; M32-I94 HydrophobicContact CG-CB 4.12Å; M32-I94 HydrophobicContact CG-CG1 3.88Å; M32-I94 HydrophobicContact CG-CG2 3.87Å; M32-I94 HydrophobicContact SD-CG1 4.2Å; M32-I94 HydrophobicContact SD-CG2 4.32Å; Y36-I94 HydrophobicContact CD2-CG1 4.3Å; Y36-I94 HydrophobicContact CE1-CD1 4Å; Y36-I94 HydrophobicContact CE1-CG1 4.46Å; Y36-I94 HydrophobicContact CE2-CD1 4.02Å; Y36-I94 HydrophobicContact CE2-CG1 3.59Å; Y47-I94 HydrophobicContact CD1-CD1 3.93Å; Y47-I94 HydrophobicContact CD2-CD1 4.41Å; Y47-I94 HydrophobicContact CE1-CD1 3.52Å; Y47-I94 HydrophobicContact CE2-CD1 4.02Å; Y47-I94 HydrophobicContact CG-CD1 4.37Å; T77-I94 CarbonylContact C-O 3.52Å; T77-I94 WeakPolarHBondContact CA-O 3.06Å; M78-I94 HydrophobicContact CB-CB 4.19Å; M78-I94 PolarHBondContact N-O 2.96Å; M78-I94 PolarHBondContact O-N 3.44Å; I94-V101 HydrophobicContact CG2-CG1 3.65Å; I94-V101 HydrophobicContact CG2-CG2 4.28Å
95	R	95.2	Very high	91.7	Very high	12 Å²	12	46.8 Å²	46.8	5%	0.045	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	139.7	176.2	-63.3	179.5	-167.1	-118.1	13.9	109.3	Y29 S30 C31 C57 E59 V76 T77 N155	Y29-R95 CarbonylContact O-C 3.44Å; Y29-R95 VanDerWaalsContact O-C 3.29Å; S30-R95 VanDerWaalsContact CA-O 3.32Å; S30-R95 WeakPolarHBondContact CA-O 3.27Å; C31-R95 PolarHBondContact N-O 2.87Å; C31-R95 PolarHBondContact O-N 2.91Å; C57-R95 PolarHBondContact O-NE 3.35Å; C57-R95 PolarHBondContact O-NH2 2.94Å; E59-R95 PolarHBondContact O-NH2 2.93Å; V76-R95 WeakPolarHBondContact O-CA 3.06Å; T77-R95 HydrophobicContact CG2-CG 3.97Å; R95-N155 WeakPolarHBondContact CD-O 3.37Å; R95-N155 PolarHBondContact NH1-O 3.07Å
96	G	95.4	Very high	91.7	Very high	2 Å²	2	43.6 Å²	43.6	2%	0.021	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.8	-160.6	178.3	0	0	0	0	0	112.8	Y29 V76 N155	Y29-G96 VanDerWaalsContact O-CA 3.31Å; Y29-G96 WeakPolarHBondContact O-CA 3.22Å; Y29-G96 PolarHBondContact O-N 3.05Å; V76-G96 WeakPolarHBondContact CG2-O 2.99Å; V76-G96 PolarHBondContact N-O 3.46Å; V76-G96 PolarHBondContact O-N 2.84Å; G96-N155 PolarHBondContact N-ND2 3.1Å
97	C	95	Very high	91.7	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.014	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	141.7	172.8	-42.7	0	0	0	0	110.7	C71 D99 K100 V101	C71-C97 VanDerWaalsContact CA-SG 3.57Å; C71-C97 HydrophobicContact CB-CB 3.54Å; C71-C97 WeakPolarHBondContact CB-SG 3.23Å; C71-C97 VanDerWaalsContact SG-CA 3.59Å; C71-C97 WeakPolarHBondContact SG-CB 3.01Å; C71-C97 CovalentContact SG-SG 2.01Å; C71-C97 PolarHBondContact SG-SG 3.46Å; C97-D99 WeakPolarHBondContact CB-OD1 3.32Å; C97-D99 PolarHBondContact O-N 2.87Å; C97-K100 HydrophobicContact CB-CB 4.03Å; C97-K100 HydrophobicContact CB-CG 4.07Å; C97-K100 PolarHBondContact O-N 3.02Å; C97-V101 WeakPolarHBondContact O-CG2 3.48Å; C97-V101 PolarHBondContact O-N 3.32Å
98	A	92.3	Very high	91.5	Very high	3 Å²	3	47.4 Å²	47.4	3%	0.025	24%	0.237	C	C	.	.	H	α-helix	trans	-56.4	-36.7	176.7	0	0	0	0	0	113.1	N73 I74 V76 K100 F106	N73-A98 HydrophobicContact CB-CB 4.5Å; I74-A98 HydrophobicContact CD1-CB 4.47Å; I74-A98 HydrophobicContact CG1-CB 3.69Å; I74-A98 PolarHBondContact O-N 2.04Å; V76-A98 HydrophobicContact CG1-CB 3.82Å; A98-K100 VanDerWaalsContact C-N 3.28Å; A98-K100 PolarHBondContact O-N 3.31Å; A98-F106 HydrophobicContact CB-CD2 4.27Å; A98-F106 HydrophobicContact CB-CE2 4.3Å; A98-F106 WeakPolarHBondContact O-CD2 3.37Å; A98-F106 VanDerWaalsContact O-CE2 3.26Å; A98-F106 WeakPolarHBondContact O-CE2 3.04Å
99	D	90	Very high	91.2	Very high	57 Å²	57	46.8 Å²	46.8	31%	0.305	24%	0.241	S	C	.	.	H	α-helix	trans	-79.4	-7	179.7	66.3	-54	0	0	0	114.1	N73 C97	N73-D99 HydrophobicContact CB-CB 4.3Å; C97-D99 WeakPolarHBondContact CB-OD1 3.32Å; C97-D99 PolarHBondContact O-N 2.87Å
100	K	92.3	Very high	91	Very high	109 Å²	109	42.1 Å²	42.1	47%	0.474	22%	0.217	S	C	.	.	H	α-helix	trans	-120.5	-21.5	-176.2	-62.7	-63	-178.7	-178.4	0	114.4	Q48 C97 A98	Q48-K100 WeakPolarHBondContact CB-O 3.24Å; C97-K100 HydrophobicContact CB-CB 4.03Å; C97-K100 HydrophobicContact CB-CG 4.07Å; C97-K100 PolarHBondContact O-N 3.02Å; A98-K100 VanDerWaalsContact C-N 3.28Å; A98-K100 PolarHBondContact O-N 3.31Å
101	V	93.8	Very high	90.6	Very high	7 Å²	7	41.6 Å²	41.6	4%	0.042	21%	0.209	C	C	.	.	H	α-helix	trans	-68.5	-39	-175.2	165.5	0	0	0	0	112.6	Y47 Q48 V76 M78 I94 C97 F106	Y47-V101 WeakPolarHBondContact CA-O 3.48Å; Y47-V101 HydrophobicContact CD1-CG1 4.21Å; Q48-V101 PolarHBondContact N-O 3.2Å; V76-V101 HydrophobicContact CG2-CB 4.3Å; V76-V101 HydrophobicContact CG2-CG2 3.73Å; M78-V101 HydrophobicContact SD-CG1 3.87Å; I94-V101 HydrophobicContact CG2-CG1 3.65Å; I94-V101 HydrophobicContact CG2-CG2 4.28Å; C97-V101 WeakPolarHBondContact O-CG2 3.48Å; C97-V101 PolarHBondContact O-N 3.32Å; V101-F106 HydrophobicContact CB-CE2 4.48Å
102	L	92.3	Very high	90.2	Very high	5 Å²	5	40.7 Å²	40.7	3%	0.026	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-106.1	133.8	-179.2	-64.5	177.8	0	0	0	111.1	I46 Y47 S104 G105 F106 I131	I46-L102 HydrophobicContact CG2-CD2 4.06Å; I46-L102 WeakPolarHBondContact O-CA 3.4Å; Y47-L102 HydrophobicContact CD1-CD2 3.61Å; Y47-L102 HydrophobicContact CE1-CD2 3.48Å; Y47-L102 VanDerWaalsContact CE1-CD2 3.48Å; L102-S104 PolarHBondContact O-N 3.44Å; L102-G105 PolarHBondContact O-N 2.02Å; L102-G105 VanDerWaalsContact O-N 3.1Å; L102-F106 HydrophobicContact CD1-CB 4.44Å; L102-F106 HydrophobicContact CD1-CD1 3.47Å; L102-F106 VanDerWaalsContact CD1-CD1 3.47Å; L102-F106 HydrophobicContact CD1-CD2 3.99Å; L102-F106 HydrophobicContact CD1-CE1 3.5Å; L102-F106 HydrophobicContact CD1-CE2 4Å; L102-F106 HydrophobicContact CD1-CG 3.72Å; L102-F106 HydrophobicContact CD1-CZ 3.77Å; L102-F106 HydrophobicContact CG-CD2 4.47Å; L102-F106 HydrophobicContact CG-CE1 4.24Å; L102-F106 HydrophobicContact CG-CE2 4.14Å; L102-F106 HydrophobicContact CG-CZ 4.03Å; L102-I131 HydrophobicContact CD1-CB 4.45Å; L102-I131 HydrophobicContact CD1-CG1 3.88Å; L102-I131 HydrophobicContact CD2-CD1 4.27Å; L102-I131 HydrophobicContact CD2-CG1 4.01Å
103	V	90.1	Very high	89.7	Confident	78 Å²	78	44.9 Å²	44.9	47%	0.473	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-44.1	179.2	177.6	0	0	0	0	111.4	I46 G105	I46-V103 PolarHBondContact O-N 3.36Å; V103-G105 VanDerWaalsContact C-N 3.28Å
104	S	87.6	Confident	89.1	Confident	39 Å²	39	44.5 Å²	44.5	27%	0.273	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	1.1	177.5	61.9	0	0	0	0	113.8	L102 N132	L102-S104 PolarHBondContact O-N 3.44Å; S104-N132 WeakPolarHBondContact CB-O 3.45Å; S104-N132 PolarHBondContact OG-O 3.03Å
105	G	88.9	Confident	88.5	Confident	20 Å²	20	52.4 Å²	52.4	21%	0.206	27%	0.267	C	S	.	.			trans	70.9	168.9	-171.5	0	0	0	0	0	113.8	L102 V103 N132	L102-G105 PolarHBondContact O-N 2.02Å; L102-G105 VanDerWaalsContact O-N 3.1Å; V103-G105 VanDerWaalsContact C-N 3.28Å; G105-N132 PolarHBondContact O-N 2.82Å
106	F	88.7	Confident	87.9	Confident	21 Å²	21	51.9 Å²	51.9	9%	0.092	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-73.7	149.8	171.7	-73.5	-83.4	0	0	0	111.4	M78 A98 V101 L102 R108 L111 L130 I146	M78-F106 HydrophobicContact SD-CE1 4.33Å; M78-F106 HydrophobicContact SD-CZ 3.99Å; A98-F106 HydrophobicContact CB-CD2 4.27Å; A98-F106 HydrophobicContact CB-CE2 4.3Å; A98-F106 WeakPolarHBondContact O-CD2 3.37Å; A98-F106 VanDerWaalsContact O-CE2 3.26Å; A98-F106 WeakPolarHBondContact O-CE2 3.04Å; V101-F106 HydrophobicContact CB-CE2 4.48Å; L102-F106 HydrophobicContact CD1-CB 4.44Å; L102-F106 HydrophobicContact CD1-CD1 3.47Å; L102-F106 VanDerWaalsContact CD1-CD1 3.47Å; L102-F106 HydrophobicContact CD1-CD2 3.99Å; L102-F106 HydrophobicContact CD1-CE1 3.5Å; L102-F106 HydrophobicContact CD1-CE2 4Å; L102-F106 HydrophobicContact CD1-CG 3.72Å; L102-F106 HydrophobicContact CD1-CZ 3.77Å; L102-F106 HydrophobicContact CG-CD2 4.47Å; L102-F106 HydrophobicContact CG-CE1 4.24Å; L102-F106 HydrophobicContact CG-CE2 4.14Å; L102-F106 HydrophobicContact CG-CZ 4.03Å; F106-R108 PolarHBondContact O-N 3.43Å; F106-R108 VanDerWaalsContact O-N 3.1Å; F106-L111 HydrophobicContact CB-CD1 3.58Å; F106-L111 HydrophobicContact CB-CD2 4.07Å; F106-L111 HydrophobicContact CB-CG 3.76Å; F106-L111 HydrophobicContact CD1-CD2 4.25Å; F106-L111 HydrophobicContact CG-CD1 4.19Å; F106-L111 HydrophobicContact CG-CD2 4.1Å; F106-L111 HydrophobicContact CG-CG 4.34Å; F106-L130 WeakPolarHBondContact CA-O 3.44Å; F106-L130 HydrophobicContact CD1-CB 4.39Å; F106-L130 HydrophobicContact CD1-CD2 4.45Å; F106-I146 HydrophobicContact CD1-CD1 4.34Å; F106-I146 HydrophobicContact CE1-CD1 3.5Å; F106-I146 HydrophobicContact CZ-CD1 3.86Å
107	N	88.3	Confident	87.1	Confident	60 Å²	60	53.8 Å²	53.8	32%	0.321	28%	0.277	S	S	.	.			trans	-65	109.1	166.7	-173.8	-14.6	0	0	0	109.6	S109 A110 L111 Q129 L130	N107-S109 VanDerWaalsContact C-N 3.26Å; N107-S109 PolarHBondContact O-N 3.08Å; N107-S109 PolarHBondContact OD1-N 2.83Å; N107-A110 HydrophobicContact CB-CB 4.15Å; N107-A110 WeakPolarHBondContact O-CA 3.3Å; N107-A110 WeakPolarHBondContact O-CB 3.28Å; N107-A110 PolarHBondContact O-N 3.15Å; N107-L111 PolarHBondContact O-N 2.8Å; N107-L111 VanDerWaalsContact O-N 3.07Å; N107-Q129 WeakPolarHBondContact CB-O 2.98Å; N107-L130 PolarHBondContact N-O 3.43Å
108	R	85.1	Confident	86.4	Confident	202 Å²	202	60.1 Å²	60.1	76%	0.762	30%	0.304	S	S	*	.	H	α-helix	trans	-53.9	-41.9	-178.4	-106.2	173.5	173.5	138.4	-2.9	112.8	F106 A110 L111 D112	F106-R108 PolarHBondContact O-N 3.43Å; F106-R108 VanDerWaalsContact O-N 3.1Å; R108-A110 PolarHBondContact O-N 2.84Å; R108-L111 PolarHBondContact O-N 3.43Å; R108-D112 PolarHBondContact O-N 2.7Å
109	S	84.1	Confident	85.9	Confident	81 Å²	81	63.1 Å²	63.1	57%	0.566	32%	0.322	S	S	*	.	H	α-helix	trans	-59.6	-37.4	177.7	-54.7	0	0	0	0	111.8	N107 T113	N107-S109 VanDerWaalsContact C-N 3.26Å; N107-S109 PolarHBondContact O-N 3.08Å; N107-S109 PolarHBondContact OD1-N 2.83Å; S109-T113 WeakPolarHBondContact O-CB 3.36Å; S109-T113 PolarHBondContact O-N 2.01Å; S109-T113 VanDerWaalsContact O-N 3.09Å; S109-T113 PolarHBondContact O-OG1 2.88Å
110	A	83.3	Confident	85.8	Confident	4 Å²	4	63.5 Å²	63.5	3%	0.033	32%	0.324	C	S	.	.	H	α-helix	trans	-69.1	-43.8	174.9	0	0	0	0	0	111	N107 R108 D112 H114 Q129	N107-A110 HydrophobicContact CB-CB 4.15Å; N107-A110 WeakPolarHBondContact O-CA 3.3Å; N107-A110 WeakPolarHBondContact O-CB 3.28Å; N107-A110 PolarHBondContact O-N 3.15Å; R108-A110 PolarHBondContact O-N 2.84Å; A110-D112 PolarHBondContact O-N 3.12Å; A110-H114 WeakPolarHBondContact O-CB 3.35Å; A110-H114 PolarHBondContact O-CD2 3.42Å; A110-H114 PolarHBondContact O-N 3.2Å; A110-H114 VanDerWaalsContact O-N 3.13Å; A110-Q129 HydrophobicContact CB-CG 4.34Å
111	L	83.8	Confident	85.7	Confident	13 Å²	13	58.9 Å²	58.9	7%	0.068	31%	0.305	C	S	.	.	H	α-helix	trans	-59.9	-46.7	179.1	-69.9	-174.5	0	0	0	112.8	F106 N107 R108 H114 R115 F116 P117	F106-L111 HydrophobicContact CB-CD1 3.58Å; F106-L111 HydrophobicContact CB-CD2 4.07Å; F106-L111 HydrophobicContact CB-CG 3.76Å; F106-L111 HydrophobicContact CD1-CD2 4.25Å; F106-L111 HydrophobicContact CG-CD1 4.19Å; F106-L111 HydrophobicContact CG-CD2 4.1Å; F106-L111 HydrophobicContact CG-CG 4.34Å; N107-L111 PolarHBondContact O-N 2.8Å; N107-L111 VanDerWaalsContact O-N 3.07Å; R108-L111 PolarHBondContact O-N 3.43Å; L111-H114 PolarHBondContact O-N 2.92Å; L111-R115 PolarHBondContact O-N 3.36Å; L111-F116 HydrophobicContact CD2-CB 4.34Å; L111-F116 HydrophobicContact CD2-CD2 3.84Å; L111-F116 HydrophobicContact CD2-CE2 4.5Å; L111-F116 HydrophobicContact CD2-CG 4.34Å; L111-F116 PolarHBondContact O-N 2.92Å; L111-P117 WeakPolarHBondContact O-CD 3.46Å
112	D	84.1	Confident	85.6	Confident	81 Å²	81	59.9 Å²	59.9	43%	0.433	31%	0.313	S	S	.	.	H	α-helix	trans	-70.9	-44.6	-176.1	-65	-23.6	0	0	0	111.3	R108 A110 H114 R115	R108-D112 PolarHBondContact O-N 2.7Å; A110-D112 PolarHBondContact O-N 3.12Å; D112-H114 PolarHBondContact O-N 2.85Å; D112-R115 PolarHBondContact O-N 2.91Å
113	T	82.2	Confident	85.6	Confident	105 Å²	105	65 Å²	65	64%	0.644	33%	0.331	S	S	*	.	H	α-helix	trans	-59.5	-36.6	177.8	-58.1	0	0	0	0	111.6	S109	S109-T113 WeakPolarHBondContact O-CB 3.36Å; S109-T113 PolarHBondContact O-N 2.01Å; S109-T113 VanDerWaalsContact O-N 3.09Å; S109-T113 PolarHBondContact O-OG1 2.88Å
114	H	82.9	Confident	85.7	Confident	34 Å²	34	66.6 Å²	66.6	16%	0.157	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	0.7	178.6	-65.8	-57.5	0	0	0	114.1	A110 L111 D112 F116 R123 L125	A110-H114 WeakPolarHBondContact O-CB 3.35Å; A110-H114 PolarHBondContact O-CD2 3.42Å; A110-H114 PolarHBondContact O-N 3.2Å; A110-H114 VanDerWaalsContact O-N 3.13Å; L111-H114 PolarHBondContact O-N 2.92Å; D112-H114 PolarHBondContact O-N 2.85Å; H114-F116 HydrophobicContact CB-CD2 3.63Å; H114-F116 HydrophobicContact CB-CE2 3.31Å; H114-F116 HydrophobicContact CB-CZ 4.09Å; H114-F116 PolarHBondContact O-N 2.99Å; H114-R123 HydrophobicContact CB-CG 4.14Å; H114-L125 VanDerWaalsContact CD2-CD1 3.41Å; H114-L125 WeakPolarHBondContact CD2-CD1 3.47Å; H114-L125 WeakPolarHBondContact NE2-CD2 3.38Å
115	R	82.9	Confident	85.9	Confident	165 Å²	165	65.2 Å²	65.2	62%	0.623	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.9	23.9	172.7	-47.2	179.2	101.1	133.2	2.3	114.8	L111 D112 P117 F118 V119	L111-R115 PolarHBondContact O-N 3.36Å; D112-R115 PolarHBondContact O-N 2.91Å; R115-P117 VanDerWaalsContact C-N 3.29Å; R115-F118 HydrophobicContact CB-CD2 4.32Å; R115-F118 PolarHBondContact O-N 3.22Å; R115-V119 HydrophobicContact CB-CG2 3.84Å; R115-V119 VanDerWaalsContact O-CG2 3.31Å; R115-V119 WeakPolarHBondContact O-CG2 3.39Å; R115-V119 PolarHBondContact O-N 2.75Å; R115-V119 VanDerWaalsContact O-N 3.08Å
116	F	82.9	Confident	86	Confident	1 Å²	1	67.1 Å²	67.1	0%	0.004	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-34.8	176.6	-66.5	-75.1	0	0	0	114.4	I74 L111 H114 F118 V121 R123 L125 I146	I74-F116 HydrophobicContact CD1-CB 3.64Å; I74-F116 WeakPolarHBondContact CD1-O 2.89Å; L111-F116 HydrophobicContact CD2-CB 4.34Å; L111-F116 HydrophobicContact CD2-CD2 3.84Å; L111-F116 HydrophobicContact CD2-CE2 4.5Å; L111-F116 HydrophobicContact CD2-CG 4.34Å; L111-F116 PolarHBondContact O-N 2.92Å; H114-F116 HydrophobicContact CB-CD2 3.63Å; H114-F116 HydrophobicContact CB-CE2 3.31Å; H114-F116 HydrophobicContact CB-CZ 4.09Å; H114-F116 PolarHBondContact O-N 2.99Å; F116-F118 PolarHBondContact O-N 2.78Å; F116-V121 HydrophobicContact CD1-CG1 3.48Å; F116-V121 VanDerWaalsContact CD1-CG1 3.48Å; F116-V121 HydrophobicContact CE1-CG1 3.82Å; F116-V121 WeakPolarHBondContact CE1-O 3.05Å; F116-V121 HydrophobicContact CG-CG1 4.09Å; F116-R123 HydrophobicContact CE1-CG 4.41Å; F116-R123 HydrophobicContact CE2-CG 4.48Å; F116-R123 HydrophobicContact CZ-CB 3.93Å; F116-R123 HydrophobicContact CZ-CG 3.82Å; F116-L125 HydrophobicContact CE2-CD1 4.06Å; F116-L125 HydrophobicContact CZ-CD1 4.23Å; F116-I146 HydrophobicContact CE1-CG1 4.36Å; F116-I146 HydrophobicContact CE1-CG2 4.25Å; F116-I146 HydrophobicContact CE2-CG2 4.38Å; F116-I146 HydrophobicContact CZ-CG1 4.4Å; F116-I146 HydrophobicContact CZ-CG2 3.63Å
117	P	79.3	Confident	86	Confident	42 Å²	42	67.6 Å²	67.6	27%	0.273	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-19.4	176.7	-22.3	35.1	0	0	0	114.3	L111 R115	L111-P117 WeakPolarHBondContact O-CD 3.46Å; R115-P117 VanDerWaalsContact C-N 3.29Å
118	F	79.5	Confident	85.9	Confident	135 Å²	135	66.5 Å²	66.5	59%	0.592	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.2	-27.4	-167.9	-55.2	-70.9	0	0	0	113.6	R115 F116	R115-F118 HydrophobicContact CB-CD2 4.32Å; R115-F118 PolarHBondContact O-N 3.22Å; F116-F118 PolarHBondContact O-N 2.78Å
119	V	82.5	Confident	85.9	Confident	66 Å²	66	60.8 Å²	60.8	40%	0.4	32%	0.321	S	S	.	.	S	Bend	trans	-142	145.5	-175.7	-70.4	0	0	0	0	111.2	R115 V121	R115-V119 HydrophobicContact CB-CG2 3.84Å; R115-V119 VanDerWaalsContact O-CG2 3.31Å; R115-V119 WeakPolarHBondContact O-CG2 3.39Å; R115-V119 PolarHBondContact O-N 2.75Å; R115-V119 VanDerWaalsContact O-N 3.08Å; V119-V121 HydrophobicContact CG2-CB 4.09Å; V119-V121 HydrophobicContact CG2-CG1 4.19Å; V119-V121 WeakPolarHBondContact O-CG1 3.44Å; V119-V121 PolarHBondContact O-N 2.01Å; V119-V121 VanDerWaalsContact O-N 3.09Å
120	D	86.9	Confident	86.1	Confident	65 Å²	65	57 Å²	57	35%	0.348	29%	0.294	S	S	.	.			trans	-65.5	109.5	169.1	-72.6	4	0	0	0	108.6	G148 C149 Y150	D120-G148 WeakPolarHBondContact CA-O 3.38Å; D120-C149 HydrophobicContact CB-CB 4.29Å; D120-C149 VanDerWaalsContact CG-CB 3.49Å; D120-C149 WeakPolarHBondContact OD1-CA 3.41Å; D120-C149 WeakPolarHBondContact OD1-CB 3.47Å; D120-Y150 VanDerWaalsContact OD1-CD1 3.28Å; D120-Y150 WeakPolarHBondContact OD1-CD1 3.07Å; D120-Y150 WeakPolarHBondContact OD1-CE1 2.99Å; D120-Y150 PolarHBondContact OD1-N 2.96Å
121	V	89.5	Confident	86.2	Confident	12 Å²	12	56.9 Å²	56.9	7%	0.073	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	145.7	-169.4	71.5	0	0	0	0	112	F116 V119 R123 C147 G148	F116-V121 HydrophobicContact CD1-CG1 3.48Å; F116-V121 VanDerWaalsContact CD1-CG1 3.48Å; F116-V121 HydrophobicContact CE1-CG1 3.82Å; F116-V121 WeakPolarHBondContact CE1-O 3.05Å; F116-V121 HydrophobicContact CG-CG1 4.09Å; V119-V121 HydrophobicContact CG2-CB 4.09Å; V119-V121 HydrophobicContact CG2-CG1 4.19Å; V119-V121 WeakPolarHBondContact O-CG1 3.44Å; V119-V121 PolarHBondContact O-N 2.01Å; V119-V121 VanDerWaalsContact O-N 3.09Å; V121-R123 VanDerWaalsContact CG2-NH2 3.3Å; V121-C147 CarbonylContact O-C 3.53Å; V121-C147 VanDerWaalsContact O-CA 3.23Å; V121-C147 WeakPolarHBondContact O-CA 3.33Å; V121-G148 PolarHBondContact N-O 3.44Å; V121-G148 VanDerWaalsContact N-O 3.13Å; V121-G148 PolarHBondContact O-N 3.42Å
122	C	91.8	Very high	86.1	Confident	29 Å²	29	58.7 Å²	58.7	20%	0.196	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	140	173.8	-61	0	0	0	0	111.1	I146 C147	C122-I146 CarbonylContact C-O 3.57Å; C122-I146 VanDerWaalsContact CA-O 3.24Å; C122-I146 WeakPolarHBondContact CA-O 3.1Å; C122-C147 HydrophobicContact CB-CB 4.11Å; C122-C147 WeakPolarHBondContact CB-SG 3.27Å; C122-C147 WeakPolarHBondContact SG-CB 3.46Å; C122-C147 CovalentContact SG-SG 2.04Å; C122-C147 PolarHBondContact SG-SG 3.2Å
123	R	92.6	Very high	85.5	Confident	111 Å²	111	57.7 Å²	57.7	42%	0.419	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	146.1	176	-58.4	-67.7	176.8	-116.6	9.7	110.7	H114 F116 V121 L125 H145 I146	H114-R123 HydrophobicContact CB-CG 4.14Å; F116-R123 HydrophobicContact CE1-CG 4.41Å; F116-R123 HydrophobicContact CE2-CG 4.48Å; F116-R123 HydrophobicContact CZ-CB 3.93Å; F116-R123 HydrophobicContact CZ-CG 3.82Å; V121-R123 VanDerWaalsContact CG2-NH2 3.3Å; R123-L125 HydrophobicContact CB-CD1 3.95Å; R123-L125 HydrophobicContact CB-CD2 4.34Å; R123-L125 HydrophobicContact CB-CG 3.86Å; R123-H145 CarbonylContact O-C 3.54Å; R123-H145 WeakPolarHBondContact O-CA 3.14Å; R123-I146 PolarHBondContact N-O 3Å; R123-I146 WeakPolarHBondContact O-CG2 3.26Å; R123-I146 PolarHBondContact O-N 3.44Å
124	L	92.6	Very high	84.9	Confident	112 Å²	112	62.9 Å²	62.9	59%	0.586	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.7	118.5	164.7	-175.6	69.1	0	0	0	107.6	D143 V144 H145	L124-D143 HydrophobicContact CD1-CB 3.78Å; L124-D143 HydrophobicContact CG-CB 4.12Å; L124-V144 WeakPolarHBondContact CA-O 3.12Å; L124-H145 HydrophobicContact CD1-CB 4.17Å
125	L	91.5	Very high	84.1	Confident	10 Å²	10	65 Å²	65	5%	0.052	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	143.9	-175.8	-64.2	171.6	0	0	0	110.8	H114 F116 R123 R127 L130 V144 I146	H114-L125 VanDerWaalsContact CD2-CD1 3.41Å; H114-L125 WeakPolarHBondContact CD2-CD1 3.47Å; H114-L125 WeakPolarHBondContact NE2-CD2 3.38Å; F116-L125 HydrophobicContact CE2-CD1 4.06Å; F116-L125 HydrophobicContact CZ-CD1 4.23Å; R123-L125 HydrophobicContact CB-CD1 3.95Å; R123-L125 HydrophobicContact CB-CD2 4.34Å; R123-L125 HydrophobicContact CB-CG 3.86Å; L125-R127 PolarHBondContact O-N 3.08Å; L125-L130 HydrophobicContact CB-CD1 4.11Å; L125-L130 HydrophobicContact CB-CD2 4.12Å; L125-L130 HydrophobicContact CB-CG 3.94Å; L125-L130 HydrophobicContact CD1-CD2 3.59Å; L125-L130 HydrophobicContact CD1-CG 4.36Å; L125-L130 HydrophobicContact CG-CD2 4.49Å; L125-V144 PolarHBondContact N-O 2.95Å; L125-V144 PolarHBondContact O-N 2.81Å; L125-I146 HydrophobicContact CD1-CG2 4.02Å
126	P	90.7	Very high	83.6	Confident	61 Å²	61	59.1 Å²	59.1	40%	0.396	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	134.5	170.4	-21.7	32.6	0	0	0	110.2	G128 Q129 L130 D143	P126-G128 PolarHBondContact O-N 3.22Å; P126-Q129 HydrophobicContact CB-CB 4.46Å; P126-Q129 WeakPolarHBondContact O-CB 3.15Å; P126-Q129 PolarHBondContact O-N 2.96Å; P126-L130 PolarHBondContact O-N 3.02Å; P126-D143 WeakPolarHBondContact CA-OD1 3.43Å
127	R	89.8	Confident	83	Confident	31 Å²	31	66 Å²	66	12%	0.117	36%	0.364	C	S	.	.	H	α-helix	trans	-58.9	-36.6	-177.2	-167.6	172.9	-68.7	101.4	0.8	112.2	E80 L125 Q129 L130 I131 V140 V141 G142 V144	E80-R127 IonicContact OE1-CZ 3.44Å; E80-R127 IonicContact OE1-NE 2.75Å; E80-R127 PolarHBondContact OE1-NE 3.17Å; E80-R127 IonicContact OE1-NH2 3.9Å; E80-R127 PolarHBondContact OE1-NH2 3.27Å; E80-R127 IonicContact OE2-CZ 3.2Å; E80-R127 IonicContact OE2-NE 2.84Å; E80-R127 IonicContact OE2-NH2 3.79Å; E80-R127 PolarHBondContact OE2-NH2 3.43Å; E80-R127 VanDerWaalsContact OE2-NH2 3.14Å; L125-R127 PolarHBondContact O-N 3.08Å; R127-Q129 PolarHBondContact O-N 3.1Å; R127-L130 PolarHBondContact O-N 3.45Å; R127-I131 HydrophobicContact CG-CD1 3.43Å; R127-I131 VanDerWaalsContact CG-CD1 3.43Å; R127-I131 HydrophobicContact CG-CG1 4.18Å; R127-I131 WeakPolarHBondContact O-CG1 3.36Å; R127-I131 PolarHBondContact O-N 3.02Å; R127-I131 VanDerWaalsContact O-N 3.08Å; R127-V140 HydrophobicContact CB-CG1 3.91Å; R127-V140 HydrophobicContact CG-CG1 3.4Å; R127-V140 VanDerWaalsContact CG-CG1 3.4Å; R127-V141 PolarHBondContact NH1-O 3.42Å; R127-G142 WeakPolarHBondContact CB-O 3.08Å; R127-G142 PolarHBondContact N-O 3.43Å; R127-V144 HydrophobicContact CB-CG2 3.97Å; R127-V144 HydrophobicContact CG-CG2 4.03Å; R127-V144 VanDerWaalsContact CZ-CG2 3.41Å; R127-V144 VanDerWaalsContact NE-CG2 3.28Å
128	G	85.4	Confident	82.6	Confident	36 Å²	36	70.4 Å²	70.4	37%	0.371	38%	0.381	S	S	.	.	H	α-helix	trans	-64.7	-19.5	174.9	0	0	0	0	0	115	P126	P126-G128 PolarHBondContact O-N 3.22Å
129	Q	86.6	Confident	82.3	Confident	83 Å²	83	71.8 Å²	71.8	39%	0.388	39%	0.391	S	S	.	.	H	α-helix	trans	-84.7	-31.9	173.9	-169.7	-179.7	-2.9	0	0	111.8	N107 A110 P126 R127	N107-Q129 WeakPolarHBondContact CB-O 2.98Å; A110-Q129 HydrophobicContact CB-CG 4.34Å; P126-Q129 HydrophobicContact CB-CB 4.46Å; P126-Q129 WeakPolarHBondContact O-CB 3.15Å; P126-Q129 PolarHBondContact O-N 2.96Å; R127-Q129 PolarHBondContact O-N 3.1Å
130	L	86.9	Confident	82.1	Confident	0 Å²	0	70 Å²	70	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-75.6	-42.7	-179.2	-72.4	175.2	0	0	0	112.8	F106 N107 L125 P126 R127 V144 I146	F106-L130 WeakPolarHBondContact CA-O 3.44Å; F106-L130 HydrophobicContact CD1-CB 4.39Å; F106-L130 HydrophobicContact CD1-CD2 4.45Å; N107-L130 PolarHBondContact N-O 3.43Å; L125-L130 HydrophobicContact CB-CD1 4.11Å; L125-L130 HydrophobicContact CB-CD2 4.12Å; L125-L130 HydrophobicContact CB-CG 3.94Å; L125-L130 HydrophobicContact CD1-CD2 3.59Å; L125-L130 HydrophobicContact CD1-CG 4.36Å; L125-L130 HydrophobicContact CG-CD2 4.49Å; P126-L130 PolarHBondContact O-N 3.02Å; R127-L130 PolarHBondContact O-N 3.45Å; L130-V144 HydrophobicContact CD1-CB 3.87Å; L130-V144 HydrophobicContact CD1-CG1 4.28Å; L130-V144 HydrophobicContact CD1-CG2 4.41Å; L130-I146 HydrophobicContact CD1-CB 4.45Å; L130-I146 HydrophobicContact CD1-CG2 4.03Å; L130-I146 HydrophobicContact CD2-CD1 4.26Å; L130-I146 HydrophobicContact CD2-CG2 4.07Å
131	I	86.5	Confident	82	Confident	2 Å²	2	71.4 Å²	71.4	1%	0.01	39%	0.391	C	S	.	.	B	Isolated β-bridge	trans	-89.4	136.7	-171.9	-57.9	173.8	0	0	0	109.1	I46 L102 R127 S133 V140	I46-I131 HydrophobicContact CG2-CD1 3.55Å; L102-I131 HydrophobicContact CD1-CB 4.45Å; L102-I131 HydrophobicContact CD1-CG1 3.88Å; L102-I131 HydrophobicContact CD2-CD1 4.27Å; L102-I131 HydrophobicContact CD2-CG1 4.01Å; R127-I131 HydrophobicContact CG-CD1 3.43Å; R127-I131 VanDerWaalsContact CG-CD1 3.43Å; R127-I131 HydrophobicContact CG-CG1 4.18Å; R127-I131 WeakPolarHBondContact O-CG1 3.36Å; R127-I131 PolarHBondContact O-N 3.02Å; R127-I131 VanDerWaalsContact O-N 3.08Å; I131-S133 PolarHBondContact O-N 3.04Å; I131-V140 HydrophobicContact CD1-CG1 4.1Å
132	N	81.2	Confident	81.8	Confident	51 Å²	51	72.5 Å²	72.5	27%	0.273	41%	0.405	S	S	.	.			trans	-71.8	98.7	167.3	-175.4	4.8	0	0	0	109.1	S104 G105 R134	S104-N132 WeakPolarHBondContact CB-O 3.45Å; S104-N132 PolarHBondContact OG-O 3.03Å; G105-N132 PolarHBondContact O-N 2.82Å; N132-R134 PolarHBondContact O-N 3.16Å; N132-R134 WeakPolarHBondContact OD1-CB 3.26Å; N132-R134 WeakPolarHBondContact OD1-CD 3.3Å; N132-R134 VanDerWaalsContact OD1-CG 3.25Å; N132-R134 WeakPolarHBondContact OD1-CG 3.39Å; N132-R134 PolarHBondContact OD1-N 3.46Å
133	S	72.4	Confident	81.8	Confident	61 Å²	61	75 Å²	75	43%	0.427	42%	0.417	S	S	.	.			trans	-67	-0.8	-176.4	-50.7	0	0	0	0	114.6	I131 G135 L136	I131-S133 PolarHBondContact O-N 3.04Å; S133-G135 PolarHBondContact O-N 3.32Å; S133-L136 PolarHBondContact O-N 2.94Å; S133-L136 VanDerWaalsContact O-N 3.16Å
134	R	69.1	Low	81.8	Confident	214 Å²	214	69.8 Å²	69.8	81%	0.808	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	112.2	176.2	-69.8	179.4	-174.3	179.7	2.4	109.5	N132	N132-R134 PolarHBondContact O-N 3.16Å; N132-R134 WeakPolarHBondContact OD1-CB 3.26Å; N132-R134 WeakPolarHBondContact OD1-CD 3.3Å; N132-R134 VanDerWaalsContact OD1-CG 3.25Å; N132-R134 WeakPolarHBondContact OD1-CG 3.39Å; N132-R134 PolarHBondContact OD1-N 3.46Å
135	G	65.8	Low	81.8	Confident	79 Å²	79	67.9 Å²	67.9	81%	0.814	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.5	-2.1	177.8	0	0	0	0	0	115.4	S133	S133-G135 PolarHBondContact O-N 3.32Å
136	L	72.6	Confident	81.9	Confident	41 Å²	41	67.4 Å²	67.4	22%	0.215	38%	0.382	C	S	.	.			trans	-84.2	130	169.3	-101.1	76	0	0	0	110.8	I46 S133 V140	I46-L136 HydrophobicContact CD1-CD2 3.98Å; I46-L136 HydrophobicContact CG1-CD2 3.94Å; S133-L136 PolarHBondContact O-N 2.94Å; S133-L136 VanDerWaalsContact O-N 3.16Å; L136-V140 HydrophobicContact CD2-CG2 3.07Å
137	T	69.1	Low	82	Confident	144 Å²	144	65.5 Å²	65.5	88%	0.883	37%	0.37	S	S	*	.			trans	-88.2	-16.4	175.4	52.8	0	0	0	0	113
138	Q	72.2	Confident	82.1	Confident	136 Å²	136	64.2 Å²	64.2	64%	0.636	37%	0.366	S	S	*	.	S	Bend	trans	-109.4	143.1	-177	-66.6	-178.5	-11.9	0	0	111.1	V140	Q138-V140 PolarHBondContact O-N 3.05Å
139	M	71.9	Confident	82.5	Confident	164 Å²	164	63.1 Å²	63.1	81%	0.808	35%	0.353	S	S	*	.			trans	-66.8	124.4	174.7	-171.5	-170.1	177.2	0	0	109.6	V141	M139-V141 HydrophobicContact CB-CG2 4.37Å; M139-V141 HydrophobicContact CE-CG1 4.24Å; M139-V141 HydrophobicContact CE-CG2 3.95Å; M139-V141 HydrophobicContact CG-CG2 3.79Å; M139-V141 HydrophobicContact SD-CG2 3.72Å
140	V	80.3	Confident	82.5	Confident	28 Å²	28	65.7 Å²	65.7	17%	0.17	36%	0.36	C	S	.	.			trans	-95.9	110.2	174.7	-169.2	0	0	0	0	109.2	I46 R127 I131 L136 Q138	I46-V140 HydrophobicContact CD1-CG2 4.02Å; R127-V140 HydrophobicContact CB-CG1 3.91Å; R127-V140 HydrophobicContact CG-CG1 3.4Å; R127-V140 VanDerWaalsContact CG-CG1 3.4Å; I131-V140 HydrophobicContact CD1-CG1 4.1Å; L136-V140 HydrophobicContact CD2-CG2 3.07Å; Q138-V140 PolarHBondContact O-N 3.05Å
141	V	83.5	Confident	82.6	Confident	94 Å²	94	69 Å²	69	57%	0.57	38%	0.382	S	S	*	.			trans	-113.6	158.8	-175	-149.2	0	0	0	0	110.3	R127 M139	R127-V141 PolarHBondContact NH1-O 3.42Å; M139-V141 HydrophobicContact CB-CG2 4.37Å; M139-V141 HydrophobicContact CE-CG1 4.24Å; M139-V141 HydrophobicContact CE-CG2 3.95Å; M139-V141 HydrophobicContact CG-CG2 3.79Å; M139-V141 HydrophobicContact SD-CG2 3.72Å
142	G	86.1	Confident	82.8	Confident	35 Å²	35	73.1 Å²	73.1	36%	0.361	41%	0.405	S	S	.	.	S	Bend	trans	101.6	159.2	173.1	0	0	0	0	0	113.3	R127	R127-G142 WeakPolarHBondContact CB-O 3.08Å; R127-G142 PolarHBondContact N-O 3.43Å
143	D	90.8	Very high	83.3	Confident	83 Å²	83	77.3 Å²	77.3	44%	0.444	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	148.2	-178.2	-61.8	-29.7	0	0	0	111.6	L124 P126	L124-D143 HydrophobicContact CD1-CB 3.78Å; L124-D143 HydrophobicContact CG-CB 4.12Å; P126-D143 WeakPolarHBondContact CA-OD1 3.43Å
144	V	92.3	Very high	84.2	Confident	0 Å²	0	75.8 Å²	75.8	0%	0	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	129.8	177.3	-178.5	0	0	0	0	109	M78 E80 L124 L125 R127 L130 I146	M78-V144 HydrophobicContact CB-CG1 3.73Å; M78-V144 HydrophobicContact CE-CG1 3.78Å; M78-V144 HydrophobicContact CE-CG2 4.37Å; M78-V144 HydrophobicContact CG-CG1 4.1Å; E80-V144 HydrophobicContact CG-CG1 4.17Å; E80-V144 HydrophobicContact CG-CG2 4.14Å; E80-V144 VanDerWaalsContact OE1-CG2 3.23Å; E80-V144 WeakPolarHBondContact OE1-CG2 3.16Å; L124-V144 WeakPolarHBondContact CA-O 3.12Å; L125-V144 PolarHBondContact N-O 2.95Å; L125-V144 PolarHBondContact O-N 2.81Å; R127-V144 HydrophobicContact CB-CG2 3.97Å; R127-V144 HydrophobicContact CG-CG2 4.03Å; R127-V144 VanDerWaalsContact CZ-CG2 3.41Å; R127-V144 VanDerWaalsContact NE-CG2 3.28Å; L130-V144 HydrophobicContact CD1-CB 3.87Å; L130-V144 HydrophobicContact CD1-CG1 4.28Å; L130-V144 HydrophobicContact CD1-CG2 4.41Å; V144-I146 HydrophobicContact CG1-CB 4.48Å; V144-I146 PolarHBondContact O-N 3.2Å
145	H	93.6	Very high	85.4	Confident	73 Å²	73	65.8 Å²	65.8	34%	0.338	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	105	167.7	-173.2	-87.1	0	0	0	109	M78 K79 R123 L124	M78-H145 CarbonylContact C-O 3.51Å; M78-H145 WeakPolarHBondContact CA-O 3.38Å; K79-H145 HydrophobicContact CB-CB 4.23Å; K79-H145 PolarHBondContact N-O 2.85Å; K79-H145 PolarHBondContact O-N 3.32Å; R123-H145 CarbonylContact O-C 3.54Å; R123-H145 WeakPolarHBondContact O-CA 3.14Å; L124-H145 HydrophobicContact CD1-CB 4.17Å
146	I	93	Very high	86.5	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	133.8	-177.9	179.5	166.3	0	0	0	110.5	T77 M78 F106 F116 C122 R123 L125 L130 V144	T77-I146 CarbonylContact O-C 3.57Å; T77-I146 WeakPolarHBondContact O-CA 3.28Å; M78-I146 HydrophobicContact CG-CB 4.31Å; M78-I146 HydrophobicContact CG-CD1 4.11Å; M78-I146 HydrophobicContact CG-CG1 4.12Å; F106-I146 HydrophobicContact CD1-CD1 4.34Å; F106-I146 HydrophobicContact CE1-CD1 3.5Å; F106-I146 HydrophobicContact CZ-CD1 3.86Å; F116-I146 HydrophobicContact CE1-CG1 4.36Å; F116-I146 HydrophobicContact CE1-CG2 4.25Å; F116-I146 HydrophobicContact CE2-CG2 4.38Å; F116-I146 HydrophobicContact CZ-CG1 4.4Å; F116-I146 HydrophobicContact CZ-CG2 3.63Å; C122-I146 CarbonylContact C-O 3.57Å; C122-I146 VanDerWaalsContact CA-O 3.24Å; C122-I146 WeakPolarHBondContact CA-O 3.1Å; R123-I146 PolarHBondContact N-O 3Å; R123-I146 WeakPolarHBondContact O-CG2 3.26Å; R123-I146 PolarHBondContact O-N 3.44Å; L125-I146 HydrophobicContact CD1-CG2 4.02Å; L130-I146 HydrophobicContact CD1-CB 4.45Å; L130-I146 HydrophobicContact CD1-CG2 4.03Å; L130-I146 HydrophobicContact CD2-CD1 4.26Å; L130-I146 HydrophobicContact CD2-CG2 4.07Å; V144-I146 HydrophobicContact CG1-CB 4.48Å; V144-I146 PolarHBondContact O-N 3.2Å
147	C	93	Very high	86.6	Confident	21 Å²	21	61.6 Å²	61.6	14%	0.142	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	136.1	171.4	-58.6	0	0	0	0	109.9	V76 T77 V121 C122	V76-C147 CarbonylContact C-O 3.58Å; V76-C147 VanDerWaalsContact CA-O 3.28Å; V76-C147 WeakPolarHBondContact CA-O 3.45Å; T77-C147 PolarHBondContact N-O 2.8Å; T77-C147 PolarHBondContact O-N 3.45Å; V121-C147 CarbonylContact O-C 3.53Å; V121-C147 VanDerWaalsContact O-CA 3.23Å; V121-C147 WeakPolarHBondContact O-CA 3.33Å; C122-C147 HydrophobicContact CB-CB 4.11Å; C122-C147 WeakPolarHBondContact CB-SG 3.27Å; C122-C147 WeakPolarHBondContact SG-CB 3.46Å; C122-C147 CovalentContact SG-SG 2.04Å; C122-C147 PolarHBondContact SG-SG 3.2Å
148	G	92.5	Very high	85.9	Confident	3 Å²	3	58.3 Å²	58.3	3%	0.031	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	147.7	172.5	0	0	0	0	0	111.2	C75 D120 V121	C75-G148 WeakPolarHBondContact O-CA 3.41Å; D120-G148 WeakPolarHBondContact CA-O 3.38Å; V121-G148 PolarHBondContact N-O 3.44Å; V121-G148 VanDerWaalsContact N-O 3.13Å; V121-G148 PolarHBondContact O-N 3.42Å
149	C	92.3	Very high	84.7	Confident	13 Å²	13	53.8 Å²	53.8	9%	0.088	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	156	174.2	59.4	0	0	0	0	112.5	I74 C75 D120 C154 N155	I74-C149 WeakPolarHBondContact CB-O 3.43Å; C75-C149 PolarHBondContact N-O 3.23Å; C75-C149 PolarHBondContact O-N 2.89Å; D120-C149 HydrophobicContact CB-CB 4.29Å; D120-C149 VanDerWaalsContact CG-CB 3.49Å; D120-C149 WeakPolarHBondContact OD1-CA 3.41Å; D120-C149 WeakPolarHBondContact OD1-CB 3.47Å; C149-C154 HydrophobicContact CB-CB 3.77Å; C149-C154 WeakPolarHBondContact CB-SG 3.45Å; C149-C154 PolarHBondContact O-SG 3.02Å; C149-C154 WeakPolarHBondContact SG-CB 3.41Å; C149-C154 CovalentContact SG-SG 2.02Å; C149-C154 PolarHBondContact SG-SG 2.98Å; C149-N155 PolarHBondContact SG-N 2.87Å; C149-N155 VanDerWaalsContact SG-N 3.44Å
150	Y	87.4	Confident	83.4	Confident	138 Å²	138	49.7 Å²	49.7	54%	0.541	29%	0.292	S	S	.	.			trans	-117	21.8	-167.6	59.1	-89.4	0	0	0	115.3	D120	D120-Y150 VanDerWaalsContact OD1-CD1 3.28Å; D120-Y150 WeakPolarHBondContact OD1-CD1 3.07Å; D120-Y150 WeakPolarHBondContact OD1-CE1 2.99Å; D120-Y150 PolarHBondContact OD1-N 2.96Å
151	S	88.3	Confident	81.6	Confident	68 Å²	68	54.1 Å²	54.1	48%	0.476	31%	0.311	S	S	.	.	S	Bend	trans	-116.6	157.5	179.8	-178.4	0	0	0	0	112.7	R153 C154	S151-R153 PolarHBondContact O-N 2.83Å; S151-R153 VanDerWaalsContact O-N 3.12Å; S151-C154 WeakPolarHBondContact O-CB 3.24Å; S151-C154 PolarHBondContact O-N 2.86Å; S151-C154 VanDerWaalsContact O-N 3.15Å; S151-C154 PolarHBondContact O-SG 3.28Å
152	N	91.1	Very high	79.7	Confident	90 Å²	90	53 Å²	53	48%	0.481	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	120.7	176.7	-82.3	-35.3	0	0	0	110.7	I26 H27 C154	I26-N152 WeakPolarHBondContact CA-OD1 3.14Å; H27-N152 PolarHBondContact CD2-OD1 2.93Å; H27-N152 PolarHBondContact N-OD1 3.13Å; N152-C154 PolarHBondContact O-N 3.36Å
153	R	92.4	Very high	78.1	Confident	138 Å²	138	54.9 Å²	54.9	52%	0.521	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	21.8	175.7	-54.3	178.8	-172.4	-156.8	2.7	113.5	H27 Y29 V68 S151 N155 G156	H27-R153 WeakPolarHBondContact O-CA 3.41Å; H27-R153 PolarHBondContact O-N 3.09Å; Y29-R153 HydrophobicContact CD2-CB 4.19Å; Y29-R153 HydrophobicContact CE2-CB 3.6Å; Y29-R153 HydrophobicContact CE2-CG 4.18Å; V68-R153 HydrophobicContact CG1-CG 4.39Å; S151-R153 PolarHBondContact O-N 2.83Å; S151-R153 VanDerWaalsContact O-N 3.12Å; R153-N155 PolarHBondContact O-N 3.45Å; R153-G156 PolarHBondContact O-N 2.93Å
154	C	91.9	Very high	76.2	Confident	30 Å²	30	54.4 Å²	54.4	20%	0.203	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-64.4	-29.1	-178.3	65.7	0	0	0	0	112.5	C75 C149 S151 N152 G156	C75-C154 VanDerWaalsContact SG-SG 3.61Å; C149-C154 HydrophobicContact CB-CB 3.77Å; C149-C154 WeakPolarHBondContact CB-SG 3.45Å; C149-C154 PolarHBondContact O-SG 3.02Å; C149-C154 WeakPolarHBondContact SG-CB 3.41Å; C149-C154 CovalentContact SG-SG 2.02Å; C149-C154 PolarHBondContact SG-SG 2.98Å; S151-C154 WeakPolarHBondContact O-CB 3.24Å; S151-C154 PolarHBondContact O-N 2.86Å; S151-C154 VanDerWaalsContact O-N 3.15Å; S151-C154 PolarHBondContact O-SG 3.28Å; N152-C154 PolarHBondContact O-N 3.36Å; C154-G156 PolarHBondContact O-N 3.41Å; C154-G156 VanDerWaalsContact O-N 3.11Å
155	N	93.6	Very high	74.4	Confident	4 Å²	4	63.1 Å²	63.1	2%	0.021	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-76.6	14.2	173.4	74.8	-23.4	0	0	0	113.2	Y29 C75 V76 R95 G96 C149 R153	Y29-N155 PolarHBondContact N-OD1 3.38Å; Y29-N155 PolarHBondContact O-ND2 2.96Å; C75-N155 HydrophobicContact CB-CB 3.65Å; V76-N155 PolarHBondContact O-ND2 3.26Å; R95-N155 WeakPolarHBondContact CD-O 3.37Å; R95-N155 PolarHBondContact NH1-O 3.07Å; G96-N155 PolarHBondContact N-ND2 3.1Å; C149-N155 PolarHBondContact SG-N 2.87Å; C149-N155 VanDerWaalsContact SG-N 3.44Å; R153-N155 PolarHBondContact O-N 3.45Å
156	G	89.4	Confident	72.8	Confident	9 Å²	9	63.9 Å²	63.9	9%	0.093	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-85	-10.4	176.9	0	0	0	0	0	114.7	Y29 F61 M62 R153 C154	Y29-G156 VanDerWaalsContact CE2-CA 3.5Å; F61-G156 CarbonylContact C-O 3.29Å; F61-G156 WeakPolarHBondContact CA-O 3.41Å; M62-G156 PolarHBondContact N-O 2.99Å; R153-G156 PolarHBondContact O-N 2.93Å; C154-G156 PolarHBondContact O-N 3.41Å; C154-G156 VanDerWaalsContact O-N 3.11Å
157	G	74	Confident	71.5	Confident	22 Å²	22	67.9 Å²	67.9	23%	0.227	39%	0.389	C	S	.	.	B	Isolated β-bridge	trans	178.7	166.3	-176	0	0	0	0	0	113.7	P60 G159	P60-G157 WeakPolarHBondContact O-CA 3.41Å; G157-G159 PolarHBondContact O-N 2.91Å
158	T	55.3	Low	70.4	Confident	75 Å²	75	75.3 Å²	75.3	46%	0.46	41%	0.414	S	S	.	.			trans	-31.2	104.9	-157.8	53.1	0	0	0	0	113.7	P60 H161	P60-T158 HydrophobicContact CB-CG2 4.38Å; P60-T158 PolarHBondContact O-N 3.24Å; T158-H161 PolarHBondContact O-N 3.47Å
159	G	45.6	Very low	69.6	Low	42 Å²	42	84.6 Å²	84.6	43%	0.433	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44	141.8	166.9	0	0	0	0	0	110.3	G157 H161	G157-G159 PolarHBondContact O-N 2.91Å; G159-H161 PolarHBondContact O-N 3.43Å
160	S	44.5	Very low	69	Low	77 Å²	77	89.4 Å²	89.4	54%	0.538	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.8	-6.6	174.7	-43.1	0	0	0	0	118
161	H	43.4	Very low	68.8	Low	121 Å²	121	85.2 Å²	85.2	56%	0.56	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	6.2	175.2	-77.4	-74.3	0	0	0	115.5	T158 G159 S163 S164	T158-H161 PolarHBondContact O-N 3.47Å; G159-H161 PolarHBondContact O-N 3.43Å; H161-S163 PolarHBondContact O-N 3.03Å; H161-S164 PolarHBondContact O-N 2.96Å
162	A	44.2	Very low	68.7	Low	70 Å²	70	86.6 Å²	86.6	58%	0.579	47%	0.466	S	S	*	.	H	α-helix	trans	-56.1	-21.2	170.3	0	0	0	0	0	112.4	T166	A162-T166 PolarHBondContact O-OG1 2.96Å
163	S	50.9	Low	68.6	Low	76 Å²	76	88.7 Å²	88.7	53%	0.531	47%	0.471	S	S	.	.	H	α-helix	trans	-67.7	-35.4	171.1	-168.5	0	0	0	0	113.3	H161 R165 T166 V167	H161-S163 PolarHBondContact O-N 3.03Å; S163-R165 PolarHBondContact O-N 3.4Å; S163-T166 PolarHBondContact O-N 3.41Å; S163-V167 WeakPolarHBondContact O-CB 3.49Å; S163-V167 WeakPolarHBondContact O-CG2 3.38Å; S163-V167 PolarHBondContact O-N 3.37Å; S163-V167 WeakPolarHBondContact OG-CG2 3.49Å
164	S	52.4	Low	68.5	Low	72 Å²	72	87.1 Å²	87.1	50%	0.503	47%	0.473	S	S	.	.	H	α-helix	trans	-66.2	-44	-171.8	178	0	0	0	0	113.7	H161 R168	H161-S164 PolarHBondContact O-N 2.96Å; S164-R168 VanDerWaalsContact O-CB 3.25Å; S164-R168 WeakPolarHBondContact O-CB 3.25Å; S164-R168 PolarHBondContact O-N 2.98Å
165	R	53.9	Low	68.6	Low	184 Å²	184	90.8 Å²	90.8	69%	0.694	49%	0.49	S	S	*	.	H	α-helix	trans	-72.2	-37.5	179.1	-75	-174.7	-170.1	170.3	4.2	112.5	S163 R169	S163-R165 PolarHBondContact O-N 3.4Å; R165-R169 WeakPolarHBondContact O-CG 3.47Å; R165-R169 PolarHBondContact O-N 2.94Å
166	T	60.3	Low	68.6	Low	88 Å²	88	96.1 Å²	96.1	54%	0.54	52%	0.518	S	S	.	.	H	α-helix	trans	-71.2	-43.4	178.4	-51.4	0	0	0	0	110.7	A162 S163 R168 R169 M170	A162-T166 PolarHBondContact O-OG1 2.96Å; S163-T166 PolarHBondContact O-N 3.41Å; T166-R168 VanDerWaalsContact C-N 3.34Å; T166-R168 PolarHBondContact O-N 3.32Å; T166-R169 PolarHBondContact O-N 2.88Å; T166-M170 VanDerWaalsContact O-CG 3.3Å; T166-M170 WeakPolarHBondContact O-CG 3.37Å; T166-M170 PolarHBondContact O-N 3.32Å
167	V	66.2	Low	68.8	Low	84 Å²	84	100.1 Å²	100.1	51%	0.509	54%	0.537	S	S	.	.	H	α-helix	trans	-61.1	-42	172.8	171.9	0	0	0	0	110.9	S163 R169 M170 A171	S163-V167 WeakPolarHBondContact O-CB 3.49Å; S163-V167 WeakPolarHBondContact O-CG2 3.38Å; S163-V167 PolarHBondContact O-N 3.37Å; S163-V167 WeakPolarHBondContact OG-CG2 3.49Å; V167-R169 VanDerWaalsContact C-N 3.34Å; V167-R169 PolarHBondContact O-N 3.35Å; V167-M170 PolarHBondContact O-N 2.96Å; V167-A171 VanDerWaalsContact O-CB 3.26Å; V167-A171 WeakPolarHBondContact O-CB 3.43Å; V167-A171 PolarHBondContact O-N 3.49Å
168	R	70.1	Confident	69.6	Low	178 Å²	178	103.2 Å²	103.2	67%	0.672	55%	0.551	S	S	*	*	H	α-helix	trans	-64.2	-38	176.4	-161.2	177.6	80	166.1	6.8	112.4	S164 T166 L172	S164-R168 VanDerWaalsContact O-CB 3.25Å; S164-R168 WeakPolarHBondContact O-CB 3.25Å; S164-R168 PolarHBondContact O-N 2.98Å; T166-R168 VanDerWaalsContact C-N 3.34Å; T166-R168 PolarHBondContact O-N 3.32Å; R168-L172 WeakPolarHBondContact O-CB 3.32Å; R168-L172 PolarHBondContact O-N 3.08Å
169	R	74.6	Confident	71.3	Confident	197 Å²	197	103.3 Å²	103.3	74%	0.743	55%	0.551	S	S	*	*	H	α-helix	trans	-68.1	-43.1	174.5	-77.4	180	174.9	-175.2	-1.9	112	R165 T166 V167 L172 F173	R165-R169 WeakPolarHBondContact O-CG 3.47Å; R165-R169 PolarHBondContact O-N 2.94Å; T166-R169 PolarHBondContact O-N 2.88Å; V167-R169 VanDerWaalsContact C-N 3.34Å; V167-R169 PolarHBondContact O-N 3.35Å; R169-L172 PolarHBondContact O-N 3.03Å; R169-F173 WeakPolarHBondContact O-CB 3.43Å; R169-F173 PolarHBondContact O-N 3.29Å
170	M	78.9	Confident	73.4	Confident	115 Å²	115	104.1 Å²	104.1	57%	0.567	55%	0.554	S	S	*	*	H	α-helix	trans	-64.3	-41	175.9	-69.5	-60.8	-70.2	0	0	111.8	T166 V167 F173 L174	T166-M170 VanDerWaalsContact O-CG 3.3Å; T166-M170 WeakPolarHBondContact O-CG 3.37Å; T166-M170 PolarHBondContact O-N 3.32Å; V167-M170 PolarHBondContact O-N 2.96Å; M170-F173 PolarHBondContact O-N 3.36Å; M170-L174 WeakPolarHBondContact O-CB 3.37Å; M170-L174 WeakPolarHBondContact O-CG 3.47Å; M170-L174 PolarHBondContact O-N 3.21Å
171	A	83.3	Confident	75.5	Confident	49 Å²	49	108 Å²	108	41%	0.405	56%	0.562	S	S	.	*	H	α-helix	trans	-63.8	-44.5	176.3	0	0	0	0	0	111.9	V167 F173 L174 L175	V167-A171 VanDerWaalsContact O-CB 3.26Å; V167-A171 WeakPolarHBondContact O-CB 3.43Å; V167-A171 PolarHBondContact O-N 3.49Å; A171-F173 VanDerWaalsContact C-N 3.35Å; A171-L174 PolarHBondContact O-N 2.92Å; A171-L175 WeakPolarHBondContact O-CB 3.42Å; A171-L175 PolarHBondContact O-N 3.03Å
172	L	87.5	Confident	77.3	Confident	97 Å²	97	108.7 Å²	108.7	51%	0.508	56%	0.564	S	S	.	*	H	α-helix	trans	-61.8	-41.3	173.9	-92.8	157.8	0	0	0	112.2	R168 R169 L175 L176	R168-L172 WeakPolarHBondContact O-CB 3.32Å; R168-L172 PolarHBondContact O-N 3.08Å; R169-L172 PolarHBondContact O-N 3.03Å; L172-L175 PolarHBondContact O-N 3Å; L172-L176 WeakPolarHBondContact O-CG 3.31Å; L172-L176 PolarHBondContact O-N 3.48Å
173	F	88.7	Confident	79.1	Confident	134 Å²	134	114 Å²	114	59%	0.588	57%	0.57	S	S	*	*	H	α-helix	trans	-65.8	-42.6	178.8	-153.1	-88.9	0	0	0	111.7	R169 M170 A171 L175 L176 L177	R169-F173 WeakPolarHBondContact O-CB 3.43Å; R169-F173 PolarHBondContact O-N 3.29Å; M170-F173 PolarHBondContact O-N 3.36Å; A171-F173 VanDerWaalsContact C-N 3.35Å; F173-L175 VanDerWaalsContact C-N 3.34Å; F173-L175 PolarHBondContact O-N 2.91Å; F173-L176 PolarHBondContact O-N 3.13Å; F173-L177 HydrophobicContact CD1-CD1 3.82Å; F173-L177 HydrophobicContact CD1-CG 4.17Å; F173-L177 HydrophobicContact CE1-CD1 3.99Å; F173-L177 HydrophobicContact CE1-CG 4.23Å; F173-L177 WeakPolarHBondContact O-CG 3.39Å; F173-L177 PolarHBondContact O-N 3.27Å
174	L	90.8	Very high	80.4	Confident	106 Å²	106	120.6 Å²	120.6	56%	0.555	58%	0.583	S	S	*	*	H	α-helix	trans	-62.5	-39.6	173.7	-75.2	167	0	0	0	112	M170 A171 L177 T178	M170-L174 WeakPolarHBondContact O-CB 3.37Å; M170-L174 WeakPolarHBondContact O-CG 3.47Å; M170-L174 PolarHBondContact O-N 3.21Å; A171-L174 PolarHBondContact O-N 2.92Å; L174-L177 PolarHBondContact O-N 2.63Å; L174-T178 WeakPolarHBondContact O-CG2 3.43Å; L174-T178 PolarHBondContact O-N 3.09Å; L174-T178 PolarHBondContact O-OG1 3.46Å
175	L	92.7	Very high	81.6	Confident	107 Å²	107	127.1 Å²	127.1	56%	0.56	60%	0.597	S	S	*	*	H	α-helix	trans	-63.9	-41.7	175.2	-118	156.6	0	0	0	112.4	A171 L172 F173 T178 V179	A171-L175 WeakPolarHBondContact O-CB 3.42Å; A171-L175 PolarHBondContact O-N 3.03Å; L172-L175 PolarHBondContact O-N 3Å; F173-L175 VanDerWaalsContact C-N 3.34Å; F173-L175 PolarHBondContact O-N 2.91Å; L175-T178 PolarHBondContact O-N 3.06Å; L175-T178 PolarHBondContact O-OG1 3.45Å; L175-V179 WeakPolarHBondContact O-CG2 3.42Å; L175-V179 PolarHBondContact O-N 2.84Å
176	L	93.3	Very high	82.5	Confident	116 Å²	116	122.8 Å²	122.8	61%	0.607	60%	0.595	S	S	*	*	H	α-helix	trans	-66.6	-39	176.3	-71.9	170.8	0	0	0	111.6	L172 F173 V179 A180	L172-L176 WeakPolarHBondContact O-CG 3.31Å; L172-L176 PolarHBondContact O-N 3.48Å; F173-L176 PolarHBondContact O-N 3.13Å; L176-V179 PolarHBondContact O-N 3.35Å; L176-A180 WeakPolarHBondContact O-CB 3.19Å; L176-A180 PolarHBondContact O-N 3.27Å
177	L	93.5	Very high	82.7	Confident	93 Å²	93	127.5 Å²	127.5	49%	0.487	62%	0.616	S	S	.	*	H	α-helix	trans	-63.2	-42.9	174.7	-74.9	172.9	0	0	0	111.7	F173 L174 A180 F181	F173-L177 HydrophobicContact CD1-CD1 3.82Å; F173-L177 HydrophobicContact CD1-CG 4.17Å; F173-L177 HydrophobicContact CE1-CD1 3.99Å; F173-L177 HydrophobicContact CE1-CG 4.23Å; F173-L177 WeakPolarHBondContact O-CG 3.39Å; F173-L177 PolarHBondContact O-N 3.27Å; L174-L177 PolarHBondContact O-N 2.63Å; L177-A180 PolarHBondContact O-N 3.46Å; L177-F181 WeakPolarHBondContact O-CB 3.35Å; L177-F181 PolarHBondContact O-N 2.95Å
178	T	91.9	Very high	83.5	Confident	87 Å²	87	129.7 Å²	129.7	53%	0.534	62%	0.621	S	S	.	*	H	α-helix	trans	-66.4	-40.2	177.7	54.9	0	0	0	0	111.9	L174 L175 F181 H182	L174-T178 WeakPolarHBondContact O-CG2 3.43Å; L174-T178 PolarHBondContact O-N 3.09Å; L174-T178 PolarHBondContact O-OG1 3.46Å; L175-T178 PolarHBondContact O-N 3.06Å; L175-T178 PolarHBondContact O-OG1 3.45Å; T178-F181 PolarHBondContact O-N 3.27Å; T178-H182 WeakPolarHBondContact O-CB 3.48Å; T178-H182 PolarHBondContact O-N 3.23Å
179	V	91.6	Very high	84.2	Confident	77 Å²	77	127.1 Å²	127.1	47%	0.467	62%	0.618	S	S	.	*	H	α-helix	trans	-63.1	-45.8	175	176.7	0	0	0	0	110.9	L175 L176 F181 H182 W183	L175-V179 WeakPolarHBondContact O-CG2 3.42Å; L175-V179 PolarHBondContact O-N 2.84Å; L176-V179 PolarHBondContact O-N 3.35Å; V179-F181 VanDerWaalsContact C-N 3.35Å; V179-F181 PolarHBondContact O-N 3.03Å; V179-H182 PolarHBondContact O-N 3.43Å; V179-W183 PolarHBondContact O-N 3.47Å
180	A	89.2	Confident	84.8	Confident	59 Å²	59	123.2 Å²	123.2	49%	0.488	61%	0.611	S	S	.	*	H	α-helix	trans	-62.4	-41.3	177.5	0	0	0	0	0	112.1	L176 L177 H182 W183 W184	L176-A180 WeakPolarHBondContact O-CB 3.19Å; L176-A180 PolarHBondContact O-N 3.27Å; L177-A180 PolarHBondContact O-N 3.46Å; A180-H182 VanDerWaalsContact C-N 3.33Å; A180-H182 PolarHBondContact O-N 3.2Å; A180-W183 PolarHBondContact O-N 2.9Å; A180-W184 WeakPolarHBondContact O-CB 3.48Å; A180-W184 PolarHBondContact O-N 2.79Å
181	F	88.1	Confident	85.1	Confident	159 Å²	159	123.7 Å²	123.7	70%	0.697	61%	0.614	S	S	*	*	H	α-helix	trans	-64.1	-38.7	176.3	-135.4	-88.2	0	0	0	111.8	L177 T178 V179 R185	L177-F181 WeakPolarHBondContact O-CB 3.35Å; L177-F181 PolarHBondContact O-N 2.95Å; T178-F181 PolarHBondContact O-N 3.27Å; V179-F181 VanDerWaalsContact C-N 3.35Å; V179-F181 PolarHBondContact O-N 3.03Å; F181-R185 WeakPolarHBondContact O-CB 3.37Å; F181-R185 PolarHBondContact O-N 2.88Å
182	H	81	Confident	85.2	Confident	134 Å²	134	128.4 Å²	128.4	62%	0.62	63%	0.627	S	S	*	*	H	α-helix	trans	-70.7	-37.2	178.3	-140.3	-67.1	0	0	0	112.3	T178 V179 A180 R185 S186	T178-H182 WeakPolarHBondContact O-CB 3.48Å; T178-H182 PolarHBondContact O-N 3.23Å; V179-H182 PolarHBondContact O-N 3.43Å; A180-H182 VanDerWaalsContact C-N 3.33Å; A180-H182 PolarHBondContact O-N 3.2Å; H182-R185 PolarHBondContact O-N 3.14Å; H182-S186 PolarHBondContact O-N 3.02Å; H182-S186 PolarHBondContact O-OG 3.47Å
183	W	82.1	Confident	85.1	Confident	183 Å²	183	130.5 Å²	130.5	69%	0.693	64%	0.635	S	S	*	*	H	α-helix	trans	-64.5	-46.9	173.8	-115.2	78.9	0	0	0	111.8	V179 A180 R185 S186 L187	V179-W183 PolarHBondContact O-N 3.47Å; A180-W183 PolarHBondContact O-N 2.9Å; W183-R185 PolarHBondContact O-N 2.7Å; W183-S186 PolarHBondContact O-N 2.93Å; W183-L187 HydrophobicContact CE3-CD1 3.84Å; W183-L187 HydrophobicContact CZ3-CD1 4.07Å; W183-L187 PolarHBondContact O-N 3.49Å
184	W	79.5	Confident	84.8	Confident	213 Å²	213	130.2 Å²	130.2	81%	0.807	64%	0.638	S	S	*	*	H	α-helix	trans	-57.8	-37.3	176.9	-176.5	-81.2	0	0	0	112.4	A180 S186	A180-W184 WeakPolarHBondContact O-CB 3.48Å; A180-W184 PolarHBondContact O-N 2.79Å; W184-S186 PolarHBondContact O-N 3.04Å
185	R	76.5	Confident	84.4	Confident	209 Å²	209	132.1 Å²	132.1	79%	0.789	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	-10.3	-179.6	-145.1	176.7	174.1	-167.6	-3.5	113.8	F181 H182 W183	F181-R185 WeakPolarHBondContact O-CB 3.37Å; F181-R185 PolarHBondContact O-N 2.88Å; H182-R185 PolarHBondContact O-N 3.14Å; W183-R185 PolarHBondContact O-N 2.7Å
186	S	72.2	Confident	83.7	Confident	94 Å²	94	134.2 Å²	134.2	66%	0.657	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.5	-5.6	-179.4	-50.6	0	0	0	0	113	H182 W183 W184	H182-S186 PolarHBondContact O-N 3.02Å; H182-S186 PolarHBondContact O-OG 3.47Å; W183-S186 PolarHBondContact O-N 2.93Å; W184-S186 PolarHBondContact O-N 3.04Å
187	L	65.4	Low	82.8	Confident	186 Å²	186	135.8 Å²	135.8	97%	0.974	66%	0.656	S	S	*	*			trans	-93.9	0	165.3	-89.2	88.4	0	0	0	110.1	W183	W183-L187 HydrophobicContact CE3-CD1 3.84Å; W183-L187 HydrophobicContact CZ3-CD1 4.07Å; W183-L187 PolarHBondContact O-N 3.49Å

Retrieved 187 of 187 residues in 136.4 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).