A0A077ZD92_TRITR Loading...

Niemann-Pick C1 protein

AlphaFold DB , UniProt , Accession A0A077ZD92, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 189 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.7	Very low	56.6	Low	241 Å²	241	133.4 Å²	133.4	100%	1.187	75%	0.746	S	S	*	*				0	82.4	0	-70.4	172.5	170	0	0	108.8
2	T	48.6	Very low	57.1	Low	151 Å²	151	131.2 Å²	131.2	93%	0.926	73%	0.73	S	S	*	*			trans	-149.1	74.2	-179.9	43.6	0	0	0	0	108.4
3	G	51.5	Low	57.5	Low	78 Å²	78	130.1 Å²	130.1	80%	0.804	72%	0.721	S	S	*	*			trans	-139.5	2.8	-174.8	0	0	0	0	0	115.5
4	S	56.4	Low	57.9	Low	100 Å²	100	127.3 Å²	127.3	70%	0.699	71%	0.709	S	S	*	*			trans	-123.2	42.8	-172.7	-163	0	0	0	0	113.1
5	M	58.1	Low	58.2	Low	152 Å²	152	129.9 Å²	129.9	75%	0.749	71%	0.705	S	S	*	*	S	Bend	trans	-112.4	-16	172.3	-74.7	-89.7	147.5	0	0	112.7	F9	M5-F9 VanDerWaalsContact O-CD2 3.26Å; M5-F9 WeakPolarHBondContact O-CD2 3.21Å; M5-F9 WeakPolarHBondContact O-CE2 3.22Å
6	C	61	Low	58.4	Low	112 Å²	112	128.3 Å²	128.3	76%	0.757	70%	0.695	S	S	*	*	S	Bend	trans	-82.1	-27.1	-174.5	-144.3	0	0	0	0	113.9	R8	C6-R8 PolarHBondContact O-N 3.41Å
7	N	57.8	Low	58.4	Low	133 Å²	133	124.9 Å²	124.9	71%	0.711	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	-13.7	-173.1	-159.3	25.3	0	0	0	114.4
8	R	63.6	Low	58.3	Low	213 Å²	213	123.8 Å²	123.8	80%	0.804	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	-20.1	-179.3	-82.5	-174	155.9	-165.4	-5.4	114.1	C6	C6-R8 PolarHBondContact O-N 3.41Å
9	F	61.4	Low	58.2	Low	127 Å²	127	122.4 Å²	122.4	56%	0.557	68%	0.677	S	S	*	*	S	Bend	trans	-90.6	-17	-177.4	-65.8	-77.5	0	0	0	114	M5 L12 L13	M5-F9 VanDerWaalsContact O-CD2 3.26Å; M5-F9 WeakPolarHBondContact O-CD2 3.21Å; M5-F9 WeakPolarHBondContact O-CE2 3.22Å; F9-L12 PolarHBondContact O-N 3.45Å; F9-L13 PolarHBondContact O-N 3.15Å; F9-L13 VanDerWaalsContact O-N 3.16Å
10	V	64.1	Low	58.1	Low	76 Å²	76	120.4 Å²	120.4	46%	0.461	68%	0.676	S	S	.	*	H	α-helix	trans	-58.9	-48.4	178.2	-176.6	0	0	0	0	113.1	L12 L13 V14	V10-L12 VanDerWaalsContact C-N 3.27Å; V10-L12 PolarHBondContact O-N 3.01Å; V10-L13 PolarHBondContact O-N 3Å; V10-V14 WeakPolarHBondContact O-CG2 3.32Å; V10-V14 PolarHBondContact O-N 2.75Å; V10-V14 VanDerWaalsContact O-N 3.1Å
11	P	60.6	Low	57.9	Low	84 Å²	84	119.2 Å²	119.2	55%	0.545	67%	0.672	S	S	.	*	H	α-helix	trans	-65	-30.8	179.1	22.8	-32.4	0	0	0	113	V14 Y15	P11-V14 PolarHBondContact O-N 3.08Å; P11-Y15 WeakPolarHBondContact O-CB 3.09Å; P11-Y15 PolarHBondContact O-N 3.49Å
12	L	62.7	Low	58.6	Low	107 Å²	107	112.7 Å²	112.7	56%	0.56	66%	0.657	S	S	*	*	H	α-helix	trans	-67.4	-39.9	176.7	-163.4	78.8	0	0	0	111.6	F9 V10 Y15 L16	F9-L12 PolarHBondContact O-N 3.45Å; V10-L12 VanDerWaalsContact C-N 3.27Å; V10-L12 PolarHBondContact O-N 3.01Å; L12-Y15 PolarHBondContact O-N 3.23Å; L12-L16 HydrophobicContact CG-CD1 4.46Å; L12-L16 WeakPolarHBondContact O-CB 3.23Å; L12-L16 WeakPolarHBondContact O-CG 3.45Å; L12-L16 PolarHBondContact O-N 2.6Å
13	L	62.6	Low	59	Low	117 Å²	117	111.2 Å²	111.2	61%	0.613	64%	0.642	S	S	*	*	H	α-helix	trans	-68.2	-38.8	176.7	-73.1	168.2	0	0	0	112.5	F9 V10 L16 A17	F9-L13 PolarHBondContact O-N 3.15Å; F9-L13 VanDerWaalsContact O-N 3.16Å; V10-L13 PolarHBondContact O-N 3Å; L13-L16 PolarHBondContact O-N 3.25Å; L13-A17 PolarHBondContact O-N 3.19Å; L13-A17 VanDerWaalsContact O-N 3.11Å
14	V	62.5	Low	59.6	Low	91 Å²	91	112.4 Å²	112.4	55%	0.552	63%	0.63	S	S	*	*	H	α-helix	trans	-66.4	-40.2	174.8	177.1	0	0	0	0	110.8	V10 P11 A17 T18	V10-V14 WeakPolarHBondContact O-CG2 3.32Å; V10-V14 PolarHBondContact O-N 2.75Å; V10-V14 VanDerWaalsContact O-N 3.1Å; P11-V14 PolarHBondContact O-N 3.08Å; V14-A17 PolarHBondContact O-N 2.92Å; V14-T18 PolarHBondContact O-N 3.29Å
15	Y	62.8	Low	60.7	Low	167 Å²	167	114.6 Å²	114.6	66%	0.655	63%	0.629	S	S	*	*	H	α-helix	trans	-62.8	-45.8	176	-151.5	-98.3	0	0	0	111.3	P11 L12 A17 T18 I19	P11-Y15 WeakPolarHBondContact O-CB 3.09Å; P11-Y15 PolarHBondContact O-N 3.49Å; L12-Y15 PolarHBondContact O-N 3.23Å; Y15-A17 VanDerWaalsContact C-N 3.29Å; Y15-A17 PolarHBondContact O-N 3.24Å; Y15-T18 PolarHBondContact O-N 3.48Å; Y15-T18 PolarHBondContact O-OG1 3.35Å; Y15-I19 WeakPolarHBondContact O-CG1 3.31Å; Y15-I19 PolarHBondContact O-N 3.13Å
16	L	60.7	Low	62.2	Low	103 Å²	103	110.3 Å²	110.3	54%	0.539	61%	0.609	S	S	.	*	H	α-helix	trans	-60.4	-32.5	176.2	-76.1	164.7	0	0	0	113.6	L12 L13 I19	L12-L16 HydrophobicContact CG-CD1 4.46Å; L12-L16 WeakPolarHBondContact O-CB 3.23Å; L12-L16 WeakPolarHBondContact O-CG 3.45Å; L12-L16 PolarHBondContact O-N 2.6Å; L13-L16 PolarHBondContact O-N 3.25Å; L16-I19 HydrophobicContact CD2-CD1 4.26Å
17	A	58.2	Low	63.8	Low	71 Å²	71	107.1 Å²	107.1	59%	0.587	58%	0.583	S	S	*	*	H	α-helix	trans	-72.6	-31.5	177.2	0	0	0	0	0	113.1	L13 V14 Y15 A20	L13-A17 PolarHBondContact O-N 3.19Å; L13-A17 VanDerWaalsContact O-N 3.11Å; V14-A17 PolarHBondContact O-N 2.92Å; Y15-A17 VanDerWaalsContact C-N 3.29Å; Y15-A17 PolarHBondContact O-N 3.24Å; A17-A20 WeakPolarHBondContact O-CB 3.34Å; A17-A20 PolarHBondContact O-N 2.88Å
18	T	57.7	Low	65.8	Low	106 Å²	106	100.8 Å²	100.8	65%	0.65	55%	0.549	S	S	*	.	H	α-helix	trans	-76.3	-23.7	178.6	57.4	0	0	0	0	114	V14 Y15 A20	V14-T18 PolarHBondContact O-N 3.29Å; Y15-T18 PolarHBondContact O-N 3.48Å; Y15-T18 PolarHBondContact O-OG1 3.35Å; T18-A20 PolarHBondContact O-N 2.64Å
19	I	55.7	Low	67.4	Low	97 Å²	97	90.9 Å²	90.9	50%	0.497	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	24.2	169.5	28.5	163.1	0	0	0	112.3	Y15 L16 T21	Y15-I19 WeakPolarHBondContact O-CG1 3.31Å; Y15-I19 PolarHBondContact O-N 3.13Å; L16-I19 HydrophobicContact CD2-CD1 4.26Å; I19-T21 PolarHBondContact O-N 3.1Å
20	A	56.3	Low	69.2	Low	81 Å²	81	85.1 Å²	85.1	67%	0.669	49%	0.487	S	S	*	.			trans	-64.3	77.2	149.5	0	0	0	0	0	106.8	A17 T18 A22	A17-A20 WeakPolarHBondContact O-CB 3.34Å; A17-A20 PolarHBondContact O-N 2.88Å; T18-A20 PolarHBondContact O-N 2.64Å; A20-A22 PolarHBondContact O-N 3.48Å
21	T	54.6	Low	70.8	Confident	97 Å²	97	83 Å²	83	60%	0.595	47%	0.471	S	S	*	.			trans	-42.1	137.2	178.5	46.4	0	0	0	0	108.1	I19 I23	I19-T21 PolarHBondContact O-N 3.1Å; T21-I23 WeakPolarHBondContact O-CG1 3.4Å; T21-I23 PolarHBondContact O-N 3.23Å
22	A	54.3	Low	72.6	Confident	104 Å²	104	84.4 Å²	84.4	86%	0.86	47%	0.468	S	S	*	.			trans	-50.9	90.8	159	0	0	0	0	0	107.2	A20 D24	A20-A22 PolarHBondContact O-N 3.48Å; A22-D24 PolarHBondContact O-N 2.94Å
23	I	56.9	Low	74.3	Confident	119 Å²	119	81.5 Å²	81.5	61%	0.61	45%	0.452	S	S	*	.			trans	-65.2	110.5	169.1	-48.7	177	0	0	0	101	T21 Q25	T21-I23 WeakPolarHBondContact O-CG1 3.4Å; T21-I23 PolarHBondContact O-N 3.23Å; I23-Q25 VanDerWaalsContact C-N 3.25Å; I23-Q25 PolarHBondContact O-N 2.94Å
24	D	63.7	Low	75.9	Confident	104 Å²	104	76.3 Å²	76.3	56%	0.556	43%	0.425	S	S	*	.			trans	-53.3	103.6	166.2	-175.6	35.1	0	0	0	105.4	A22 D26 H27	A22-D24 PolarHBondContact O-N 2.94Å; D24-D26 PolarHBondContact O-N 2.87Å; D24-D26 VanDerWaalsContact O-N 3.07Å; D24-H27 IonicContact OD1-CD2 3.89Å
25	Q	78.6	Confident	77.5	Confident	146 Å²	146	77 Å²	77	68%	0.682	43%	0.425	S	S	*	.			trans	-69.5	113.2	-177.5	-73.4	-75.3	-37.2	0	0	104.6	I23 H27	I23-Q25 VanDerWaalsContact C-N 3.25Å; I23-Q25 PolarHBondContact O-N 2.94Å; Q25-H27 PolarHBondContact O-N 3.16Å; Q25-H27 VanDerWaalsContact O-N 3.11Å
26	D	89.9	Confident	79	Confident	62 Å²	62	69.6 Å²	69.6	33%	0.332	40%	0.397	S	S	.	.			trans	-33.9	118.2	171.8	-77.9	-26.7	0	0	0	110.8	D24 K125 S128	D24-D26 PolarHBondContact O-N 2.87Å; D24-D26 VanDerWaalsContact O-N 3.07Å; D26-K125 HydrophobicContact CB-CB 3.89Å; D26-K125 HydrophobicContact CB-CG 3.76Å; D26-K125 WeakPolarHBondContact OD2-CD 3.31Å; D26-K125 VanDerWaalsContact OD2-CE 3.27Å; D26-K125 WeakPolarHBondContact OD2-CE 3.49Å; D26-K125 VanDerWaalsContact OD2-CG 3.25Å; D26-K125 WeakPolarHBondContact OD2-CG 3.16Å; D26-S128 WeakPolarHBondContact OD1-CB 3.16Å
27	H	95.8	Very high	80.5	Confident	44 Å²	44	71.6 Å²	71.6	20%	0.204	41%	0.408	C	S	.	.			trans	-134.7	171.2	-174.8	70.2	79	0	0	0	111	D24 Q25 Q126 S127	D24-H27 IonicContact OD1-CD2 3.89Å; Q25-H27 PolarHBondContact O-N 3.16Å; Q25-H27 VanDerWaalsContact O-N 3.11Å; H27-Q126 PolarHBondContact O-N 2.89Å; H27-S127 VanDerWaalsContact CD2-CB 3.48Å; H27-S127 WeakPolarHBondContact CD2-CB 3.14Å; H27-S127 PolarHBondContact CD2-OG 3.28Å; H27-S127 VanDerWaalsContact CE1-CB 3.45Å; H27-S127 WeakPolarHBondContact CE1-CB 3.12Å; H27-S127 PolarHBondContact N-OG 3.45Å; H27-S127 VanDerWaalsContact NE2-CB 3.35Å; H27-S127 WeakPolarHBondContact NE2-CB 3.21Å; H27-S127 PolarHBondContact O-N 3.17Å; H27-S127 PolarHBondContact O-OG 3.11Å
28	C	98.4	Very high	82.1	Confident	0 Å²	0	75.8 Å²	75.8	0%	0	42%	0.421	C	S	.	.			trans	-79.8	152.6	175.1	-55.2	0	0	0	0	110.7	Y45 N46 G47 P49 C83	C28-Y45 CarbonylContact C-O 3.56Å; C28-Y45 HydrophobicContact CB-CD1 3.57Å; C28-Y45 HydrophobicContact CB-CE1 3.82Å; C28-N46 WeakPolarHBondContact O-CA 3.46Å; C28-G47 WeakPolarHBondContact CB-O 3.42Å; C28-G47 PolarHBondContact N-O 3.19Å; C28-P49 VanDerWaalsContact SG-CA 3.53Å; C28-C83 WeakPolarHBondContact CA-SG 3.26Å; C28-C83 HydrophobicContact CB-CB 3.57Å; C28-C83 WeakPolarHBondContact CB-SG 3.18Å; C28-C83 WeakPolarHBondContact SG-CA 3.36Å; C28-C83 WeakPolarHBondContact SG-CB 3.28Å; C28-C83 CovalentContact SG-SG 2.03Å; C28-C83 PolarHBondContact SG-SG 2.86Å
29	V	98.3	Very high	83.9	Confident	6 Å²	6	75.6 Å²	75.6	4%	0.036	42%	0.415	C	S	.	.	S	Bend	trans	-105.5	-14	167.8	-57.9	0	0	0	0	111.9	Y45 Q126 L130 V132	V29-Y45 CarbonylContact C-O 3.5Å; V29-Y45 VanDerWaalsContact CA-O 3.23Å; V29-Y45 WeakPolarHBondContact CA-O 3.35Å; V29-Y45 PolarHBondContact N-O 3.21Å; V29-Y45 PolarHBondContact O-N 2.87Å; V29-Y45 VanDerWaalsContact O-N 3.17Å; V29-Q126 HydrophobicContact CG1-CB 4.3Å; V29-Q126 HydrophobicContact CG2-CB 4.15Å; V29-L130 HydrophobicContact CG1-CB 4.37Å; V29-L130 HydrophobicContact CG2-CB 3.96Å; V29-L130 HydrophobicContact CG2-CD1 4.24Å; V29-V132 HydrophobicContact CB-CG2 3.93Å; V29-V132 HydrophobicContact CG2-CG2 4.16Å
30	W	98.6	Very high	85.7	Confident	5 Å²	5	78.1 Å²	78.1	2%	0.019	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	164.5	170.2	59.8	60.6	0	0	0	112.8	N42 C43 Y45 Q88 L120 T121 L130 V144 I147	W30-N42 HydrophobicContact CB-CB 3.62Å; W30-N42 HydrophobicContact CD2-CB 3.84Å; W30-N42 HydrophobicContact CE3-CB 4.34Å; W30-N42 HydrophobicContact CG-CB 3.53Å; W30-C43 WeakPolarHBondContact CA-O 3.42Å; W30-C43 WeakPolarHBondContact CB-O 3.42Å; W30-Y45 PolarHBondContact N-O 2.93Å; W30-Q88 VanDerWaalsContact CD1-NE2 3.32Å; W30-L120 HydrophobicContact CH2-CD1 3.68Å; W30-L120 HydrophobicContact CH2-CG 4.09Å; W30-L120 HydrophobicContact CZ2-CD1 4.28Å; W30-L120 HydrophobicContact CZ2-CG 4.25Å; W30-L120 WeakPolarHBondContact CZ2-O 2.98Å; W30-T121 PolarHBondContact NE1-O 3.34Å; W30-L130 HydrophobicContact CH2-CD1 3.85Å; W30-L130 HydrophobicContact CZ2-CD1 4.31Å; W30-L130 HydrophobicContact CZ3-CD1 4.29Å; W30-V144 HydrophobicContact CB-CG2 4.26Å; W30-V144 HydrophobicContact CE3-CG1 4.37Å; W30-V144 HydrophobicContact CE3-CG2 4.21Å; W30-I147 HydrophobicContact CH2-CD1 4.27Å; W30-I147 HydrophobicContact CZ3-CD1 4.37Å; W30-I147 HydrophobicContact CZ3-CG2 3.92Å
31	Y	98.4	Very high	87.6	Confident	33 Å²	33	76.1 Å²	76.1	13%	0.129	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	138.6	170.9	-167.4	-101.3	0	0	0	109.5	C43 Y45 L50 D85	Y31-C43 PolarHBondContact N-O 3.15Å; Y31-C43 VanDerWaalsContact N-O 3.08Å; Y31-C43 WeakPolarHBondContact O-CB 3.4Å; Y31-Y45 VanDerWaalsContact CB-CD1 3.45Å; Y31-Y45 HydrophobicContact CG-CD1 4.34Å; Y31-L50 HydrophobicContact CD1-CD1 3.7Å; Y31-L50 HydrophobicContact CD2-CD1 4.27Å; Y31-L50 HydrophobicContact CE1-CD1 3.48Å; Y31-L50 VanDerWaalsContact CE1-CD1 3.48Å; Y31-L50 HydrophobicContact CE2-CB 3.85Å; Y31-L50 HydrophobicContact CE2-CD1 4.03Å; Y31-L50 HydrophobicContact CE2-CG 4.33Å; Y31-L50 HydrophobicContact CG-CD1 4.13Å; Y31-D85 HydrophobicContact CE1-CB 4.14Å; Y31-D85 HydrophobicContact CE2-CB 4.28Å
32	K	98	Very high	89.7	Confident	113 Å²	113	73.4 Å²	73.4	49%	0.491	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	65.4	166.8	-170	-52.7	-177.5	172.7	-177.6	0	114.1	C43 D85	K32-C43 PolarHBondContact O-N 2.73Å; K32-D85 WeakPolarHBondContact CG-OD2 3.36Å
33	E	97.8	Very high	91.8	Very high	46 Å²	46	69 Å²	69	22%	0.215	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	140.3	172.3	-56.9	-176.6	152.2	0	0	111.5	R40 K41 C43 Q88 T91	E33-R40 VanDerWaalsContact OE2-CD 3.29Å; E33-R40 WeakPolarHBondContact OE2-CD 3.3Å; E33-R40 IonicContact OE2-NE 2.63Å; E33-K41 CarbonylContact C-O 3.36Å; E33-K41 VanDerWaalsContact CA-O 3.24Å; E33-K41 WeakPolarHBondContact CA-O 2.95Å; E33-C43 PolarHBondContact O-SG 3.35Å; E33-C43 VanDerWaalsContact O-SG 3.39Å; E33-Q88 HydrophobicContact CG-CG 3.62Å; E33-T91 WeakPolarHBondContact OE1-CB 3.36Å; E33-T91 PolarHBondContact OE1-OG1 2.86Å
34	C	97.3	Very high	93.8	Very high	7 Å²	7	65.4 Å²	65.4	5%	0.047	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	150.8	170.5	-86.8	0	0	0	0	108.3	R40 K41 C43 A138 A143	C34-R40 WeakPolarHBondContact O-CA 3.41Å; C34-K41 PolarHBondContact N-O 3.05Å; C34-K41 PolarHBondContact O-N 3.4Å; C34-C43 WeakPolarHBondContact CA-SG 3.41Å; C34-C43 HydrophobicContact CB-CB 4.19Å; C34-C43 WeakPolarHBondContact CB-SG 3.21Å; C34-C43 PolarHBondContact N-SG 3.21Å; C34-C43 VanDerWaalsContact SG-CA 3.53Å; C34-C43 WeakPolarHBondContact SG-CB 3.4Å; C34-C43 CovalentContact SG-SG 2.04Å; C34-C43 PolarHBondContact SG-SG 2.95Å; C34-A138 HydrophobicContact CB-CB 3.95Å; C34-A143 HydrophobicContact CB-CB 3.82Å
35	I	95.3	Very high	95.4	Very high	106 Å²	106	63.4 Å²	63.4	54%	0.544	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	124.8	176.2	-58.7	175	0	0	0	108
36	V	93.8	Very high	96.3	Very high	11 Å²	11	61.7 Å²	61.7	7%	0.067	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	120.5	174.5	-176.7	0	0	0	0	107.1	N38 I39 K41 V136 A138 A143	V36-N38 VanDerWaalsContact C-N 3.3Å; V36-N38 PolarHBondContact O-N 2.9Å; V36-I39 PolarHBondContact N-O 2.86Å; V36-I39 WeakPolarHBondContact O-CA 3.34Å; V36-I39 WeakPolarHBondContact O-CB 3.29Å; V36-I39 PolarHBondContact O-N 3.11Å; V36-K41 HydrophobicContact CB-CD 4.41Å; V36-K41 HydrophobicContact CG2-CD 4.41Å; V36-V136 HydrophobicContact CG1-CG1 4.17Å; V36-V136 HydrophobicContact CG1-CG2 4.16Å; V36-V136 HydrophobicContact CG2-CG1 4.06Å; V36-A138 HydrophobicContact CG2-CB 3.55Å; V36-A143 HydrophobicContact CG2-CB 3.85Å
37	D	92.4	Very high	96.7	Very high	146 Å²	146	59.4 Å²	59.4	78%	0.781	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	44.1	-178.1	-56.2	-42.9	0	0	0	113.7	I39	D37-I39 PolarHBondContact O-N 3.42Å; D37-I39 VanDerWaalsContact O-N 3.14Å
38	N	93.2	Very high	96.7	Very high	159 Å²	159	61.4 Å²	61.4	85%	0.85	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	10.2	-173.5	-64.4	-42.1	0	0	0	115.6	V36	V36-N38 VanDerWaalsContact C-N 3.3Å; V36-N38 PolarHBondContact O-N 2.9Å
39	I	93.8	Very high	96.6	Very high	102 Å²	102	62.8 Å²	62.8	52%	0.523	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	129.5	175.5	-59.4	174	0	0	0	109.1	V36 D37 K41	V36-I39 PolarHBondContact N-O 2.86Å; V36-I39 WeakPolarHBondContact O-CA 3.34Å; V36-I39 WeakPolarHBondContact O-CB 3.29Å; V36-I39 PolarHBondContact O-N 3.11Å; D37-I39 PolarHBondContact O-N 3.42Å; D37-I39 VanDerWaalsContact O-N 3.14Å; I39-K41 HydrophobicContact CG2-CG 4.38Å
40	R	94.8	Very high	96.5	Very high	150 Å²	150	65.1 Å²	65.1	57%	0.566	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.6	123.3	172.3	-62.2	-169.2	-65.1	-109.1	-1.7	109.9	E33 C34	E33-R40 VanDerWaalsContact OE2-CD 3.29Å; E33-R40 WeakPolarHBondContact OE2-CD 3.3Å; E33-R40 IonicContact OE2-NE 2.63Å; C34-R40 WeakPolarHBondContact O-CA 3.41Å
41	K	97	Very high	96.3	Very high	39 Å²	39	67 Å²	67	17%	0.17	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	167.6	173.6	-60.1	-169.6	-175.4	179	0	109.2	E33 C34 V36 I39 V136 A143	E33-K41 CarbonylContact C-O 3.36Å; E33-K41 VanDerWaalsContact CA-O 3.24Å; E33-K41 WeakPolarHBondContact CA-O 2.95Å; C34-K41 PolarHBondContact N-O 3.05Å; C34-K41 PolarHBondContact O-N 3.4Å; V36-K41 HydrophobicContact CB-CD 4.41Å; V36-K41 HydrophobicContact CG2-CD 4.41Å; I39-K41 HydrophobicContact CG2-CG 4.38Å; K41-V136 HydrophobicContact CD-CG1 4.21Å; K41-A143 HydrophobicContact CB-CB 4.08Å; K41-A143 HydrophobicContact CD-CB 4.42Å
42	N	98.2	Very high	96.2	Very high	40 Å²	40	66 Å²	66	21%	0.214	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	137.1	172.8	-59	-50.3	0	0	0	110	W30 Q88 A143 V144	W30-N42 HydrophobicContact CB-CB 3.62Å; W30-N42 HydrophobicContact CD2-CB 3.84Å; W30-N42 HydrophobicContact CE3-CB 4.34Å; W30-N42 HydrophobicContact CG-CB 3.53Å; N42-Q88 PolarHBondContact OD1-NE2 3.25Å; N42-A143 WeakPolarHBondContact O-CA 3.23Å; N42-V144 PolarHBondContact O-N 3.5Å
43	C	98.5	Very high	95.9	Very high	11 Å²	11	67.9 Å²	67.9	7%	0.074	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	137.9	172.3	-58	0	0	0	0	110.4	W30 Y31 K32 E33 C34 Y45	W30-C43 WeakPolarHBondContact CA-O 3.42Å; W30-C43 WeakPolarHBondContact CB-O 3.42Å; Y31-C43 PolarHBondContact N-O 3.15Å; Y31-C43 VanDerWaalsContact N-O 3.08Å; Y31-C43 WeakPolarHBondContact O-CB 3.4Å; K32-C43 PolarHBondContact O-N 2.73Å; E33-C43 PolarHBondContact O-SG 3.35Å; E33-C43 VanDerWaalsContact O-SG 3.39Å; C34-C43 WeakPolarHBondContact CA-SG 3.41Å; C34-C43 HydrophobicContact CB-CB 4.19Å; C34-C43 WeakPolarHBondContact CB-SG 3.21Å; C34-C43 PolarHBondContact N-SG 3.21Å; C34-C43 VanDerWaalsContact SG-CA 3.53Å; C34-C43 WeakPolarHBondContact SG-CB 3.4Å; C34-C43 CovalentContact SG-SG 2.04Å; C34-C43 PolarHBondContact SG-SG 2.95Å; C43-Y45 PolarHBondContact O-N 3.48Å
44	V	98.3	Very high	95.9	Very high	44 Å²	44	69.3 Å²	69.3	27%	0.267	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	131.5	174.8	176.6	0	0	0	0	109.7	T135 A142 V144	V44-T135 HydrophobicContact CG2-CG2 3.63Å; V44-A142 HydrophobicContact CB-CB 4.04Å; V44-A142 HydrophobicContact CG2-CB 3.77Å; V44-A142 WeakPolarHBondContact CG2-O 3Å; V44-A142 PolarHBondContact N-O 3.4Å; V44-V144 HydrophobicContact CG2-CG2 3.74Å
45	Y	98.3	Very high	95.9	Very high	62 Å²	62	75.1 Å²	75.1	24%	0.243	39%	0.389	C	S	.	.			trans	-156.5	117.2	177.9	171.2	-103	0	0	0	109.3	C28 V29 W30 Y31 C43 G47 P48	C28-Y45 CarbonylContact C-O 3.56Å; C28-Y45 HydrophobicContact CB-CD1 3.57Å; C28-Y45 HydrophobicContact CB-CE1 3.82Å; V29-Y45 CarbonylContact C-O 3.5Å; V29-Y45 VanDerWaalsContact CA-O 3.23Å; V29-Y45 WeakPolarHBondContact CA-O 3.35Å; V29-Y45 PolarHBondContact N-O 3.21Å; V29-Y45 PolarHBondContact O-N 2.87Å; V29-Y45 VanDerWaalsContact O-N 3.17Å; W30-Y45 PolarHBondContact N-O 2.93Å; Y31-Y45 VanDerWaalsContact CB-CD1 3.45Å; Y31-Y45 HydrophobicContact CG-CD1 4.34Å; C43-Y45 PolarHBondContact O-N 3.48Å; Y45-G47 VanDerWaalsContact CE1-C 3.45Å; Y45-G47 WeakPolarHBondContact CE1-O 3.12Å; Y45-G47 WeakPolarHBondContact OH-CA 3.31Å; Y45-P48 WeakPolarHBondContact CE1-O 3.28Å; Y45-P48 WeakPolarHBondContact OH-CD 3.41Å; Y45-P48 PolarHBondContact OH-O 2.83Å
46	N	97.2	Very high	96	Very high	109 Å²	109	76.4 Å²	76.4	58%	0.583	39%	0.392	S	S	*	.			trans	-105.8	32.3	-177.4	-61	-55.3	0	0	0	112.4	C28	C28-N46 WeakPolarHBondContact O-CA 3.46Å
47	G	97.2	Very high	96.2	Very high	15 Å²	15	76 Å²	76	16%	0.155	39%	0.39	C	S	.	.	S	Bend	trans	-106	-179.1	-176.6	0	0	0	0	0	113.2	C28 Y45	C28-G47 WeakPolarHBondContact CB-O 3.42Å; C28-G47 PolarHBondContact N-O 3.19Å; Y45-G47 VanDerWaalsContact CE1-C 3.45Å; Y45-G47 WeakPolarHBondContact CE1-O 3.12Å; Y45-G47 WeakPolarHBondContact OH-CA 3.31Å
48	P	96.1	Very high	96.4	Very high	85 Å²	85	71 Å²	71	55%	0.552	36%	0.363	S	S	*	.			trans	-66.9	157.4	179.4	29.6	-36.6	0	0	0	112.1	Y45 L50	Y45-P48 WeakPolarHBondContact CE1-O 3.28Å; Y45-P48 WeakPolarHBondContact OH-CD 3.41Å; Y45-P48 PolarHBondContact OH-O 2.83Å; P48-L50 PolarHBondContact O-N 3.04Å
49	P	95.8	Very high	96.5	Very high	30 Å²	30	67.6 Å²	67.6	20%	0.195	35%	0.345	C	S	.	.			trans	-53.9	139.4	169.6	-24.1	34.2	0	0	0	111.8	C28 P124	C28-P49 VanDerWaalsContact SG-CA 3.53Å; P49-P124 HydrophobicContact CB-CB 3.91Å; P49-P124 HydrophobicContact CG-CB 3.51Å; P49-P124 WeakPolarHBondContact CG-O 3.46Å
50	L	95.9	Very high	96.7	Very high	54 Å²	54	64.5 Å²	64.5	28%	0.283	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	146.9	-176.6	-63.8	177.8	0	0	0	110.9	Y31 P48 L52 S81 L82	Y31-L50 HydrophobicContact CD1-CD1 3.7Å; Y31-L50 HydrophobicContact CD2-CD1 4.27Å; Y31-L50 HydrophobicContact CE1-CD1 3.48Å; Y31-L50 VanDerWaalsContact CE1-CD1 3.48Å; Y31-L50 HydrophobicContact CE2-CB 3.85Å; Y31-L50 HydrophobicContact CE2-CD1 4.03Å; Y31-L50 HydrophobicContact CE2-CG 4.33Å; Y31-L50 HydrophobicContact CG-CD1 4.13Å; P48-L50 PolarHBondContact O-N 3.04Å; L50-L52 PolarHBondContact O-N 2.94Å; L50-S81 CarbonylContact O-C 2.96Å; L50-S81 VanDerWaalsContact O-CA 3.29Å; L50-S81 WeakPolarHBondContact O-CA 3.11Å; L50-L82 PolarHBondContact N-O 3.47Å; L50-L82 PolarHBondContact O-N 3.4Å
51	P	95	Very high	96.8	Very high	44 Å²	44	57.4 Å²	57.4	29%	0.286	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	127.8	179.4	-25.6	35	0	0	0	113	K53 E79 L80	P51-K53 HydrophobicContact CB-CG 4.26Å; P51-K53 PolarHBondContact O-N 3.31Å; P51-E79 HydrophobicContact CB-CB 4.01Å; P51-E79 WeakPolarHBondContact CB-OE2 3.41Å; P51-E79 HydrophobicContact CG-CB 4.48Å; P51-E79 WeakPolarHBondContact CG-OE2 3.46Å; P51-L80 WeakPolarHBondContact CA-O 3.48Å
52	L	96	Very high	96.7	Very high	13 Å²	13	58.8 Å²	58.8	7%	0.068	31%	0.313	C	S	.	.			trans	-85.9	98.5	172	-176.4	66.2	0	0	0	109.4	L50 A57 I61 L80 L82 V89	L50-L52 PolarHBondContact O-N 2.94Å; L52-A57 HydrophobicContact CD1-CB 3.93Å; L52-A57 HydrophobicContact CD2-CB 4.08Å; L52-A57 HydrophobicContact CG-CB 4.3Å; L52-I61 HydrophobicContact CD2-CG1 3.83Å; L52-L80 PolarHBondContact N-O 2.76Å; L52-L82 HydrophobicContact CB-CD1 4.44Å; L52-L82 HydrophobicContact CD2-CD1 3.96Å; L52-V89 HydrophobicContact CD2-CG2 4.33Å
53	K	93.2	Very high	96.5	Very high	153 Å²	153	65.2 Å²	65.2	67%	0.665	34%	0.339	S	S	*	.			trans	-91.4	-21	-174	-61.7	-173.2	177.1	-171.3	0	114.5	P51 L55	P51-K53 HydrophobicContact CB-CG 4.26Å; P51-K53 PolarHBondContact O-N 3.31Å; K53-L55 PolarHBondContact O-N 3.01Å
54	D	97.4	Very high	96.4	Very high	75 Å²	75	66.2 Å²	66.2	40%	0.401	34%	0.343	S	S	.	.			trans	-69.2	122.4	179.8	-177	-84.6	0	0	0	110.5	E56 A57 L58 A86	D54-E56 PolarHBondContact O-N 3.13Å; D54-E56 WeakPolarHBondContact OD1-CB 3.17Å; D54-E56 PolarHBondContact OD1-N 2.89Å; D54-A57 HydrophobicContact CB-CB 3.97Å; D54-A57 WeakPolarHBondContact OD1-CB 3.34Å; D54-A57 PolarHBondContact OD1-N 2.85Å; D54-L58 VanDerWaalsContact O-CB 3.28Å; D54-L58 WeakPolarHBondContact O-CB 3.3Å; D54-L58 PolarHBondContact O-N 2.01Å; D54-A86 HydrophobicContact CB-CB 3.69Å
55	L	96.3	Very high	96.4	Very high	130 Å²	130	64.1 Å²	64.1	68%	0.681	33%	0.33	S	S	*	.	H	α-helix	trans	-69.3	-32.9	-173.4	-67.7	177.5	0	0	0	112.8	K53 N59	K53-L55 PolarHBondContact O-N 3.01Å; L55-N59 WeakPolarHBondContact O-CB 3.31Å; L55-N59 VanDerWaalsContact O-CG 3.26Å; L55-N59 PolarHBondContact O-N 3.06Å; L55-N59 PolarHBondContact O-ND2 3.47Å
56	E	97.8	Very high	96.1	Very high	132 Å²	132	63.4 Å²	63.4	62%	0.617	33%	0.333	S	S	*	.	H	α-helix	trans	-71.5	-45.1	178.8	-173.2	-177.4	159.5	0	0	110.4	D54 L58 N59 T60	D54-E56 PolarHBondContact O-N 3.13Å; D54-E56 WeakPolarHBondContact OD1-CB 3.17Å; D54-E56 PolarHBondContact OD1-N 2.89Å; E56-L58 VanDerWaalsContact C-N 3.34Å; E56-L58 PolarHBondContact O-N 3.08Å; E56-N59 PolarHBondContact O-N 2.9Å; E56-T60 WeakPolarHBondContact O-CB 3.41Å; E56-T60 PolarHBondContact O-N 3.38Å; E56-T60 PolarHBondContact O-OG1 3.43Å
57	A	97.9	Very high	95.9	Very high	2 Å²	2	59.3 Å²	59.3	2%	0.017	31%	0.313	C	S	.	.	H	α-helix	trans	-61.5	-43.2	173.8	0	0	0	0	0	111.2	L52 D54 N59 T60 I61 A86 V89	L52-A57 HydrophobicContact CD1-CB 3.93Å; L52-A57 HydrophobicContact CD2-CB 4.08Å; L52-A57 HydrophobicContact CG-CB 4.3Å; D54-A57 HydrophobicContact CB-CB 3.97Å; D54-A57 WeakPolarHBondContact OD1-CB 3.34Å; D54-A57 PolarHBondContact OD1-N 2.85Å; A57-N59 PolarHBondContact O-N 2.67Å; A57-T60 WeakPolarHBondContact O-CB 3.24Å; A57-T60 PolarHBondContact O-N 3.43Å; A57-I61 WeakPolarHBondContact O-CG1 3.33Å; A57-I61 PolarHBondContact O-N 3.12Å; A57-A86 HydrophobicContact CB-CB 3.87Å; A57-V89 HydrophobicContact CB-CB 4.07Å; A57-V89 HydrophobicContact CB-CG1 4.05Å; A57-V89 HydrophobicContact CB-CG2 4.32Å
58	L	95.9	Very high	95.8	Very high	43 Å²	43	59.2 Å²	59.2	23%	0.225	31%	0.309	C	S	.	.	H	α-helix	trans	-59.8	-47.2	175.8	-178.8	63.6	0	0	0	111.7	D54 E56 T60 I61 I62 L80	D54-L58 VanDerWaalsContact O-CB 3.28Å; D54-L58 WeakPolarHBondContact O-CB 3.3Å; D54-L58 PolarHBondContact O-N 2.01Å; E56-L58 VanDerWaalsContact C-N 3.34Å; E56-L58 PolarHBondContact O-N 3.08Å; L58-T60 VanDerWaalsContact C-N 3.26Å; L58-T60 PolarHBondContact O-N 3.02Å; L58-I61 PolarHBondContact O-N 3.38Å; L58-I62 HydrophobicContact CD1-CD1 4.34Å; L58-I62 HydrophobicContact CG-CD1 4.03Å; L58-I62 WeakPolarHBondContact O-CG1 3.18Å; L58-I62 PolarHBondContact O-N 3.19Å; L58-L80 HydrophobicContact CD1-CB 4.35Å; L58-L80 HydrophobicContact CD1-CD2 3.46Å; L58-L80 VanDerWaalsContact CD1-CD2 3.46Å
59	N	96.5	Very high	95.5	Very high	87 Å²	87	56 Å²	56	47%	0.465	29%	0.287	S	S	.	.	H	α-helix	trans	-61.5	-36.1	176.2	-78.9	-41.1	0	0	0	112.4	L55 E56 A57 K63	L55-N59 WeakPolarHBondContact O-CB 3.31Å; L55-N59 VanDerWaalsContact O-CG 3.26Å; L55-N59 PolarHBondContact O-N 3.06Å; L55-N59 PolarHBondContact O-ND2 3.47Å; E56-N59 PolarHBondContact O-N 2.9Å; A57-N59 PolarHBondContact O-N 2.67Å; N59-K63 VanDerWaalsContact O-CG 3.31Å; N59-K63 WeakPolarHBondContact O-CG 3.15Å; N59-K63 PolarHBondContact O-N 3.21Å; N59-K63 VanDerWaalsContact O-N 3.17Å
60	T	97.6	Very high	94.7	Very high	37 Å²	37	60.1 Å²	60.1	23%	0.227	30%	0.303	C	S	.	.	H	α-helix	trans	-65.6	-45.9	175.3	-60.1	0	0	0	0	110.9	E56 A57 L58 K63 M64 V89 A93	E56-T60 WeakPolarHBondContact O-CB 3.41Å; E56-T60 PolarHBondContact O-N 3.38Å; E56-T60 PolarHBondContact O-OG1 3.43Å; A57-T60 WeakPolarHBondContact O-CB 3.24Å; A57-T60 PolarHBondContact O-N 3.43Å; L58-T60 VanDerWaalsContact C-N 3.26Å; L58-T60 PolarHBondContact O-N 3.02Å; T60-K63 PolarHBondContact O-N 3.04Å; T60-M64 HydrophobicContact CG2-CE 4.11Å; T60-M64 WeakPolarHBondContact O-CB 3.28Å; T60-M64 PolarHBondContact O-N 3.47Å; T60-V89 HydrophobicContact CG2-CG1 3.71Å; T60-A93 HydrophobicContact CG2-CB 3.99Å
61	I	97.4	Very high	93.5	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-60.4	-46.4	175.5	-71.2	-63.6	0	0	0	111.5	L52 A57 L58 K63 M64 C65 L68 I69 L80 L82 V89	L52-I61 HydrophobicContact CD2-CG1 3.83Å; A57-I61 WeakPolarHBondContact O-CG1 3.33Å; A57-I61 PolarHBondContact O-N 3.12Å; L58-I61 PolarHBondContact O-N 3.38Å; I61-K63 VanDerWaalsContact C-N 3.28Å; I61-K63 PolarHBondContact O-N 3.24Å; I61-M64 PolarHBondContact O-N 3.28Å; I61-C65 HydrophobicContact CD1-CB 4.22Å; I61-C65 HydrophobicContact CG2-CB 4.36Å; I61-C65 CarbonylContact O-C 3.47Å; I61-C65 VanDerWaalsContact O-C 3.22Å; I61-C65 VanDerWaalsContact O-CA 3.28Å; I61-C65 WeakPolarHBondContact O-CA 3.39Å; I61-C65 WeakPolarHBondContact O-CB 3.35Å; I61-C65 PolarHBondContact O-N 3.34Å; I61-L68 HydrophobicContact CD1-CD1 4.26Å; I61-L68 HydrophobicContact CG2-CB 4.44Å; I61-I69 HydrophobicContact CG2-CG2 4.08Å; I61-L80 HydrophobicContact CG2-CD2 4.08Å; I61-L82 HydrophobicContact CD1-CD1 4.27Å; I61-L82 HydrophobicContact CG1-CD1 4.07Å; I61-L82 HydrophobicContact CG2-CD1 4.17Å; I61-V89 HydrophobicContact CD1-CG1 4.34Å; I61-V89 HydrophobicContact CD1-CG2 3.93Å; I61-V89 HydrophobicContact CG1-CG1 4.25Å; I61-V89 HydrophobicContact CG1-CG2 4.01Å
62	I	94.4	Very high	92.4	Very high	69 Å²	69	62.6 Å²	62.6	35%	0.354	31%	0.313	S	S	.	.	H	α-helix	trans	-58.5	-42	179.7	-69.6	165.7	0	0	0	111.2	L58 I69	L58-I62 HydrophobicContact CD1-CD1 4.34Å; L58-I62 HydrophobicContact CG-CD1 4.03Å; L58-I62 WeakPolarHBondContact O-CG1 3.18Å; L58-I62 PolarHBondContact O-N 3.19Å; I62-I69 HydrophobicContact CB-CD1 4.47Å; I62-I69 HydrophobicContact CG1-CD1 4.3Å; I62-I69 HydrophobicContact CG1-CG2 4.48Å; I62-I69 HydrophobicContact CG2-CD1 4.29Å
63	K	94.6	Very high	91.2	Very high	174 Å²	174	68.7 Å²	68.7	76%	0.757	34%	0.339	S	S	*	.	H	α-helix	trans	-77.1	-43.2	-178.1	-69.9	173.1	-175.9	175.9	0	112.9	N59 T60 I61	N59-K63 VanDerWaalsContact O-CG 3.31Å; N59-K63 WeakPolarHBondContact O-CG 3.15Å; N59-K63 PolarHBondContact O-N 3.21Å; N59-K63 VanDerWaalsContact O-N 3.17Å; T60-K63 PolarHBondContact O-N 3.04Å; I61-K63 VanDerWaalsContact C-N 3.28Å; I61-K63 PolarHBondContact O-N 3.24Å
64	M	96.2	Very high	90	Very high	32 Å²	32	68.7 Å²	68.7	16%	0.158	34%	0.339	C	S	.	.	H	α-helix	trans	-96.4	-32	-168	-171.5	173.4	67.4	0	0	112.9	T60 I61 P66 L92 A93 M96 V114	T60-M64 HydrophobicContact CG2-CE 4.11Å; T60-M64 WeakPolarHBondContact O-CB 3.28Å; T60-M64 PolarHBondContact O-N 3.47Å; I61-M64 PolarHBondContact O-N 3.28Å; M64-P66 WeakPolarHBondContact O-CD 3.41Å; M64-L92 HydrophobicContact CE-CB 4.5Å; M64-L92 HydrophobicContact CE-CD2 3.81Å; M64-L92 HydrophobicContact CE-CG 3.76Å; M64-A93 HydrophobicContact CE-CB 4.21Å; M64-A93 HydrophobicContact SD-CB 4.38Å; M64-M96 HydrophobicContact SD-CB 4.21Å; M64-M96 HydrophobicContact SD-CG 4.12Å; M64-V114 HydrophobicContact CG-CG1 3.42Å; M64-V114 VanDerWaalsContact CG-CG1 3.42Å; M64-V114 VanDerWaalsContact O-CG1 3.26Å; M64-V114 WeakPolarHBondContact O-CG1 3.44Å; M64-V114 HydrophobicContact SD-CG1 4.32Å
65	C	97	Very high	88	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	36%	0.355	C	S	.	.			trans	-126.1	55.5	-173.4	-56.4	0	0	0	0	112.1	I61 S67 L68 C118	I61-C65 HydrophobicContact CD1-CB 4.22Å; I61-C65 HydrophobicContact CG2-CB 4.36Å; I61-C65 CarbonylContact O-C 3.47Å; I61-C65 VanDerWaalsContact O-C 3.22Å; I61-C65 VanDerWaalsContact O-CA 3.28Å; I61-C65 WeakPolarHBondContact O-CA 3.39Å; I61-C65 WeakPolarHBondContact O-CB 3.35Å; I61-C65 PolarHBondContact O-N 3.34Å; C65-S67 PolarHBondContact O-N 3.03Å; C65-L68 HydrophobicContact CB-CB 4.49Å; C65-L68 HydrophobicContact CB-CD1 3.7Å; C65-L68 HydrophobicContact CB-CG 4.07Å; C65-L68 WeakPolarHBondContact O-CB 3.38Å; C65-L68 PolarHBondContact O-N 3.4Å; C65-C118 VanDerWaalsContact CA-SG 3.54Å; C65-C118 HydrophobicContact CB-CB 3.63Å; C65-C118 WeakPolarHBondContact CB-SG 3.36Å; C65-C118 WeakPolarHBondContact SG-CB 3.43Å; C65-C118 CovalentContact SG-SG 2.03Å; C65-C118 PolarHBondContact SG-SG 3.32Å
66	P	93.8	Very high	86.4	Confident	47 Å²	47	64.9 Å²	64.9	31%	0.305	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-62.4	-18.3	-173	26	-36.1	0	0	0	114.5	M64 L68 I69	M64-P66 WeakPolarHBondContact O-CD 3.41Å; P66-L68 VanDerWaalsContact C-N 3.32Å; P66-L68 PolarHBondContact O-N 2.86Å; P66-I69 WeakPolarHBondContact O-CG1 3.22Å
67	S	92.4	Very high	84.6	Confident	24 Å²	24	65 Å²	65	17%	0.168	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-70.7	-26.2	174.7	66.1	0	0	0	0	113.7	C65 I69 E70 Q115 Q119	C65-S67 PolarHBondContact O-N 3.03Å; S67-I69 PolarHBondContact O-N 3.33Å; S67-E70 PolarHBondContact O-N 2.03Å; S67-Q115 VanDerWaalsContact CB-OE1 3.25Å; S67-Q115 PolarHBondContact OG-NE2 2.99Å; S67-Q115 PolarHBondContact OG-OE1 3.43Å; S67-Q119 PolarHBondContact OG-NE2 2.65Å
68	L	94.1	Very high	83.3	Confident	13 Å²	13	71.8 Å²	71.8	7%	0.068	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-73.6	-15.1	-177.8	-67	-179.4	0	0	0	112.6	I61 C65 P66 L82 C118 Q119 C122	I61-L68 HydrophobicContact CD1-CD1 4.26Å; I61-L68 HydrophobicContact CG2-CB 4.44Å; C65-L68 HydrophobicContact CB-CB 4.49Å; C65-L68 HydrophobicContact CB-CD1 3.7Å; C65-L68 HydrophobicContact CB-CG 4.07Å; C65-L68 WeakPolarHBondContact O-CB 3.38Å; C65-L68 PolarHBondContact O-N 3.4Å; P66-L68 VanDerWaalsContact C-N 3.32Å; P66-L68 PolarHBondContact O-N 2.86Å; L68-L82 HydrophobicContact CB-CD2 4.16Å; L68-L82 HydrophobicContact CD1-CD2 4.37Å; L68-C118 HydrophobicContact CD1-CB 4.18Å; L68-Q119 VanDerWaalsContact CD2-NE2 3.32Å; L68-C122 HydrophobicContact CD1-CB 3.56Å
69	I	90.1	Very high	82.8	Confident	16 Å²	16	75 Å²	75	8%	0.082	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-103.6	-4.5	-178	57	170.8	0	0	0	112.6	I61 I62 P66 S67 D71 H72 F73 L80	I61-I69 HydrophobicContact CG2-CG2 4.08Å; I62-I69 HydrophobicContact CB-CD1 4.47Å; I62-I69 HydrophobicContact CG1-CD1 4.3Å; I62-I69 HydrophobicContact CG1-CG2 4.48Å; I62-I69 HydrophobicContact CG2-CD1 4.29Å; P66-I69 WeakPolarHBondContact O-CG1 3.22Å; S67-I69 PolarHBondContact O-N 3.33Å; I69-D71 VanDerWaalsContact C-N 3.32Å; I69-D71 PolarHBondContact O-N 3.05Å; I69-H72 WeakPolarHBondContact O-CB 3.34Å; I69-H72 PolarHBondContact O-N 3.31Å; I69-H72 VanDerWaalsContact O-N 3.07Å; I69-F73 HydrophobicContact CB-CD2 4.14Å; I69-F73 HydrophobicContact CB-CE2 3.82Å; I69-F73 HydrophobicContact CD1-CD2 4.32Å; I69-F73 HydrophobicContact CD1-CE2 3.57Å; I69-F73 HydrophobicContact CG1-CD2 4.29Å; I69-F73 HydrophobicContact CG1-CE2 3.93Å; I69-F73 VanDerWaalsContact O-CD2 3.23Å; I69-F73 WeakPolarHBondContact O-CD2 3.12Å; I69-F73 PolarHBondContact O-N 2.85Å; I69-L80 HydrophobicContact CG2-CD1 4.05Å; I69-L80 HydrophobicContact CG2-CD2 3.74Å
70	E	78.8	Confident	82.6	Confident	117 Å²	117	71.6 Å²	71.6	55%	0.547	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-42.5	-175.9	-73.9	179.7	-162.8	0	0	112.4	S67 H72 K74	S67-E70 PolarHBondContact O-N 2.03Å; E70-H72 VanDerWaalsContact C-N 3.34Å; E70-K74 WeakPolarHBondContact O-CG 3.43Å
71	D	71.6	Confident	82.4	Confident	90 Å²	90	70.9 Å²	70.9	48%	0.481	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-26.6	178.5	-71.7	-22.2	0	0	0	112.6	I69 K74	I69-D71 VanDerWaalsContact C-N 3.32Å; I69-D71 PolarHBondContact O-N 3.05Å; D71-K74 PolarHBondContact O-N 3.04Å; D71-K74 IonicContact OD1-NZ 2.74Å; D71-K74 PolarHBondContact OD1-NZ 2.84Å
72	H	71.9	Confident	82.4	Confident	61 Å²	61	70.9 Å²	70.9	28%	0.282	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-37.8	177.7	178	-88.8	0	0	0	111.8	I69 E70 K74 S76 K78 L80	I69-H72 WeakPolarHBondContact O-CB 3.34Å; I69-H72 PolarHBondContact O-N 3.31Å; I69-H72 VanDerWaalsContact O-N 3.07Å; E70-H72 VanDerWaalsContact C-N 3.34Å; H72-K74 VanDerWaalsContact C-N 3.32Å; H72-K74 PolarHBondContact O-N 3.42Å; H72-S76 PolarHBondContact O-OG 3.21Å; H72-K78 PolarHBondContact CD2-O 3.01Å; H72-K78 PolarHBondContact NE2-O 2.95Å; H72-K78 VanDerWaalsContact NE2-O 3.17Å; H72-L80 HydrophobicContact CB-CD1 4.05Å; H72-L80 PolarHBondContact CD2-N 3.47Å
73	F	69.9	Low	82.6	Confident	141 Å²	141	67.6 Å²	67.6	62%	0.618	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-8	178.6	-70.2	-70.3	0	0	0	114.5	I69 G75	I69-F73 HydrophobicContact CB-CD2 4.14Å; I69-F73 HydrophobicContact CB-CE2 3.82Å; I69-F73 HydrophobicContact CD1-CD2 4.32Å; I69-F73 HydrophobicContact CD1-CE2 3.57Å; I69-F73 HydrophobicContact CG1-CD2 4.29Å; I69-F73 HydrophobicContact CG1-CE2 3.93Å; I69-F73 VanDerWaalsContact O-CD2 3.23Å; I69-F73 WeakPolarHBondContact O-CD2 3.12Å; I69-F73 PolarHBondContact O-N 2.85Å; F73-G75 PolarHBondContact O-N 2.86Å
74	K	69.1	Low	82.8	Confident	152 Å²	152	59.3 Å²	59.3	66%	0.661	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	21.5	177.5	-70.6	175	-169	162.3	0	114.2	E70 D71 H72	E70-K74 WeakPolarHBondContact O-CG 3.43Å; D71-K74 PolarHBondContact O-N 3.04Å; D71-K74 IonicContact OD1-NZ 2.74Å; D71-K74 PolarHBondContact OD1-NZ 2.84Å; H72-K74 VanDerWaalsContact C-N 3.32Å; H72-K74 PolarHBondContact O-N 3.42Å
75	G	55.1	Low	82.9	Confident	72 Å²	72	58.7 Å²	58.7	74%	0.742	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	93	13.7	173.7	0	0	0	0	0	115.2	F73 S77	F73-G75 PolarHBondContact O-N 2.86Å; G75-S77 PolarHBondContact O-N 3.42Å
76	S	62.7	Low	83	Confident	54 Å²	54	59.6 Å²	59.6	38%	0.378	33%	0.329	S	S	.	.			trans	-77.2	121	168.5	61.1	0	0	0	0	109.9	H72 K78	H72-S76 PolarHBondContact O-OG 3.21Å; S76-K78 PolarHBondContact O-N 3.34Å
77	S	60	Low	83.2	Confident	135 Å²	135	60.5 Å²	60.5	94%	0.944	33%	0.331	S	S	*	.			trans	-71.9	19	168	60.8	0	0	0	0	113.1	G75	G75-S77 PolarHBondContact O-N 3.42Å
78	K	70.3	Confident	83.5	Confident	144 Å²	144	59.5 Å²	59.5	63%	0.626	32%	0.324	S	S	*	.	S	Bend	trans	-95.5	136.8	-172.4	-170.4	177.6	178.9	-177.2	0	109.2	H72 S76	H72-K78 PolarHBondContact CD2-O 3.01Å; H72-K78 PolarHBondContact NE2-O 2.95Å; H72-K78 VanDerWaalsContact NE2-O 3.17Å; S76-K78 PolarHBondContact O-N 3.34Å
79	E	85.5	Confident	83.7	Confident	110 Å²	110	58.9 Å²	58.9	51%	0.514	32%	0.321	S	S	.	.			trans	-52.8	139	172.3	-61.1	-177.5	149.1	0	0	110.9	P51 S81	P51-E79 HydrophobicContact CB-CB 4.01Å; P51-E79 WeakPolarHBondContact CB-OE2 3.41Å; P51-E79 HydrophobicContact CG-CB 4.48Å; P51-E79 WeakPolarHBondContact CG-OE2 3.46Å; E79-S81 PolarHBondContact O-N 2.87Å; E79-S81 PolarHBondContact O-OG 3.46Å
80	L	92.1	Very high	84.1	Confident	15 Å²	15	64.1 Å²	64.1	8%	0.079	34%	0.34	C	S	.	.			trans	-56.4	112.2	175.4	-179.5	66.4	0	0	0	109.7	P51 L52 L58 I61 I69 H72 L82	P51-L80 WeakPolarHBondContact CA-O 3.48Å; L52-L80 PolarHBondContact N-O 2.76Å; L58-L80 HydrophobicContact CD1-CB 4.35Å; L58-L80 HydrophobicContact CD1-CD2 3.46Å; L58-L80 VanDerWaalsContact CD1-CD2 3.46Å; I61-L80 HydrophobicContact CG2-CD2 4.08Å; I69-L80 HydrophobicContact CG2-CD1 4.05Å; I69-L80 HydrophobicContact CG2-CD2 3.74Å; H72-L80 HydrophobicContact CB-CD1 4.05Å; H72-L80 PolarHBondContact CD2-N 3.47Å; L80-L82 HydrophobicContact CD1-CD2 4.23Å; L80-L82 HydrophobicContact CD1-CG 4.46Å; L80-L82 HydrophobicContact CD2-CD1 4Å; L80-L82 HydrophobicContact CD2-CG 4.43Å; L80-L82 HydrophobicContact CG-CD1 4.19Å; L80-L82 HydrophobicContact CG-CD2 4.39Å; L80-L82 HydrophobicContact CG-CG 4.08Å
81	S	94	Very high	85	Confident	22 Å²	22	59.8 Å²	59.8	15%	0.154	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	126.2	-177.8	-53.9	0	0	0	0	109.8	L50 E79	L50-S81 CarbonylContact O-C 2.96Å; L50-S81 VanDerWaalsContact O-CA 3.29Å; L50-S81 WeakPolarHBondContact O-CA 3.11Å; E79-S81 PolarHBondContact O-N 2.87Å; E79-S81 PolarHBondContact O-OG 3.46Å
82	L	96.9	Very high	86.3	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	164.3	-173.4	-63.3	175.2	0	0	0	110.7	L50 L52 I61 L68 L80 C84 C122	L50-L82 PolarHBondContact N-O 3.47Å; L50-L82 PolarHBondContact O-N 3.4Å; L52-L82 HydrophobicContact CB-CD1 4.44Å; L52-L82 HydrophobicContact CD2-CD1 3.96Å; I61-L82 HydrophobicContact CD1-CD1 4.27Å; I61-L82 HydrophobicContact CG1-CD1 4.07Å; I61-L82 HydrophobicContact CG2-CD1 4.17Å; L68-L82 HydrophobicContact CB-CD2 4.16Å; L68-L82 HydrophobicContact CD1-CD2 4.37Å; L80-L82 HydrophobicContact CD1-CD2 4.23Å; L80-L82 HydrophobicContact CD1-CG 4.46Å; L80-L82 HydrophobicContact CD2-CD1 4Å; L80-L82 HydrophobicContact CD2-CG 4.43Å; L80-L82 HydrophobicContact CG-CD1 4.19Å; L80-L82 HydrophobicContact CG-CD2 4.39Å; L80-L82 HydrophobicContact CG-CG 4.08Å; L82-C84 PolarHBondContact O-N 2.85Å; L82-C122 WeakPolarHBondContact CB-O 2.99Å; L82-C122 WeakPolarHBondContact CD2-O 3.37Å
83	C	98.3	Very high	87.5	Confident	0 Å²	0	54 Å²	54	0%	0	30%	0.295	C	S	.	.	S	Bend	trans	-90.9	27.4	173.9	-65	0	0	0	0	113.1	C28 C122 S123 Q126	C28-C83 WeakPolarHBondContact CA-SG 3.26Å; C28-C83 HydrophobicContact CB-CB 3.57Å; C28-C83 WeakPolarHBondContact CB-SG 3.18Å; C28-C83 WeakPolarHBondContact SG-CA 3.36Å; C28-C83 WeakPolarHBondContact SG-CB 3.28Å; C28-C83 CovalentContact SG-SG 2.03Å; C28-C83 PolarHBondContact SG-SG 2.86Å; C83-C122 PolarHBondContact N-O 2.8Å; C83-C122 VanDerWaalsContact N-O 3.12Å; C83-S123 VanDerWaalsContact CB-O 3.25Å; C83-S123 WeakPolarHBondContact CB-O 3.33Å; C83-S123 PolarHBondContact SG-O 2.93Å; C83-Q126 HydrophobicContact CB-CG 3.98Å
84	C	98.6	Very high	88.8	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.288	C	S	.	.			trans	-143.4	149.7	174.9	68.9	0	0	0	0	111.2	L82 Q88 T121 C122	L82-C84 PolarHBondContact O-N 2.85Å; C84-Q88 VanDerWaalsContact CA-OE1 3.27Å; C84-Q88 HydrophobicContact CB-CB 3.9Å; C84-T121 HydrophobicContact CB-CG2 4.3Å; C84-C122 HydrophobicContact CB-CB 3.92Å; C84-C122 WeakPolarHBondContact CB-SG 3.45Å; C84-C122 WeakPolarHBondContact SG-CB 3.03Å; C84-C122 CovalentContact SG-SG 2.03Å; C84-C122 PolarHBondContact SG-SG 3.01Å
85	D	98.4	Very high	90.1	Very high	20 Å²	20	49.4 Å²	49.4	11%	0.107	28%	0.283	C	S	.	.			trans	-98.1	-179.3	172.7	75.1	-13.1	0	0	0	112.2	Y31 K32 D87 Q88 V89	Y31-D85 HydrophobicContact CE1-CB 4.14Å; Y31-D85 HydrophobicContact CE2-CB 4.28Å; K32-D85 WeakPolarHBondContact CG-OD2 3.36Å; D85-D87 VanDerWaalsContact C-N 3.25Å; D85-D87 PolarHBondContact O-N 3.03Å; D85-D87 PolarHBondContact OD1-N 2.9Å; D85-Q88 VanDerWaalsContact N-OE1 3.12Å; D85-Q88 PolarHBondContact O-N 3.13Å; D85-Q88 WeakPolarHBondContact OD1-CB 3.47Å; D85-Q88 VanDerWaalsContact OD1-CG 3.25Å; D85-Q88 WeakPolarHBondContact OD1-CG 3.46Å; D85-Q88 PolarHBondContact OD1-N 3.36Å; D85-Q88 PolarHBondContact OD1-OE1 3.28Å; D85-V89 WeakPolarHBondContact O-CG2 3.49Å; D85-V89 PolarHBondContact O-N 2.98Å
86	A	98.5	Very high	92	Very high	19 Å²	19	46.3 Å²	46.3	16%	0.157	25%	0.249	C	C	.	.	H	α-helix	trans	-60.1	-35.2	-178.5	0	0	0	0	0	112.8	D54 A57 V89 R90	D54-A86 HydrophobicContact CB-CB 3.69Å; A57-A86 HydrophobicContact CB-CB 3.87Å; A86-V89 PolarHBondContact O-N 3.38Å; A86-R90 WeakPolarHBondContact O-CG 3.32Å; A86-R90 PolarHBondContact O-N 3.48Å
87	D	98.5	Very high	93.6	Very high	66 Å²	66	47.7 Å²	47.7	35%	0.353	25%	0.252	S	S	.	.	H	α-helix	trans	-68.1	-45.8	-179.5	-66.7	-2.6	0	0	0	110.5	D85 V89 R90 T91	D85-D87 VanDerWaalsContact C-N 3.25Å; D85-D87 PolarHBondContact O-N 3.03Å; D85-D87 PolarHBondContact OD1-N 2.9Å; D87-V89 VanDerWaalsContact C-N 3.31Å; D87-V89 PolarHBondContact O-N 3.31Å; D87-R90 VanDerWaalsContact CG-NH2 3.26Å; D87-R90 PolarHBondContact O-N 3.17Å; D87-R90 IonicContact OD1-CZ 3.67Å; D87-R90 IonicContact OD1-NE 3.9Å; D87-R90 IonicContact OD1-NH2 3.54Å; D87-R90 PolarHBondContact OD1-NH2 3.14Å; D87-R90 IonicContact OD2-NH2 3.87Å; D87-T91 PolarHBondContact O-N 3.3Å; D87-T91 PolarHBondContact O-OG1 3Å
88	Q	98.7	Very high	95.1	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.009	23%	0.234	C	C	.	.	H	α-helix	trans	-61.7	-37.8	174.2	-69.5	177.2	-75.4	0	0	112.3	W30 E33 N42 C84 D85 T91 L92 T121	W30-Q88 VanDerWaalsContact CD1-NE2 3.32Å; E33-Q88 HydrophobicContact CG-CG 3.62Å; N42-Q88 PolarHBondContact OD1-NE2 3.25Å; C84-Q88 VanDerWaalsContact CA-OE1 3.27Å; C84-Q88 HydrophobicContact CB-CB 3.9Å; D85-Q88 VanDerWaalsContact N-OE1 3.12Å; D85-Q88 PolarHBondContact O-N 3.13Å; D85-Q88 WeakPolarHBondContact OD1-CB 3.47Å; D85-Q88 VanDerWaalsContact OD1-CG 3.25Å; D85-Q88 WeakPolarHBondContact OD1-CG 3.46Å; D85-Q88 PolarHBondContact OD1-N 3.36Å; D85-Q88 PolarHBondContact OD1-OE1 3.28Å; Q88-T91 PolarHBondContact O-N 2.87Å; Q88-L92 VanDerWaalsContact O-CB 3.31Å; Q88-L92 WeakPolarHBondContact O-CB 3.32Å; Q88-L92 PolarHBondContact O-N 3.38Å; Q88-T121 HydrophobicContact CB-CG2 4.42Å
89	V	98.7	Very high	96.1	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.006	21%	0.208	C	C	.	.	H	α-helix	trans	-64	-43.6	174.9	174.3	0	0	0	0	111.3	L52 A57 T60 I61 D85 A86 D87 L92 A93	L52-V89 HydrophobicContact CD2-CG2 4.33Å; A57-V89 HydrophobicContact CB-CB 4.07Å; A57-V89 HydrophobicContact CB-CG1 4.05Å; A57-V89 HydrophobicContact CB-CG2 4.32Å; T60-V89 HydrophobicContact CG2-CG1 3.71Å; I61-V89 HydrophobicContact CD1-CG1 4.34Å; I61-V89 HydrophobicContact CD1-CG2 3.93Å; I61-V89 HydrophobicContact CG1-CG1 4.25Å; I61-V89 HydrophobicContact CG1-CG2 4.01Å; D85-V89 WeakPolarHBondContact O-CG2 3.49Å; D85-V89 PolarHBondContact O-N 2.98Å; A86-V89 PolarHBondContact O-N 3.38Å; D87-V89 VanDerWaalsContact C-N 3.31Å; D87-V89 PolarHBondContact O-N 3.31Å; V89-L92 PolarHBondContact O-N 3.26Å; V89-A93 WeakPolarHBondContact O-CB 3.07Å; V89-A93 PolarHBondContact O-N 2.86Å
90	R	98.3	Very high	96.4	Very high	126 Å²	126	38.4 Å²	38.4	48%	0.475	20%	0.2	S	C	.	.	H	α-helix	trans	-63.5	-44.5	176.1	-70	-178.2	-57.2	121.4	-5.3	111.2	A86 D87 L92 A93 M94	A86-R90 WeakPolarHBondContact O-CG 3.32Å; A86-R90 PolarHBondContact O-N 3.48Å; D87-R90 VanDerWaalsContact CG-NH2 3.26Å; D87-R90 PolarHBondContact O-N 3.17Å; D87-R90 IonicContact OD1-CZ 3.67Å; D87-R90 IonicContact OD1-NE 3.9Å; D87-R90 IonicContact OD1-NH2 3.54Å; D87-R90 PolarHBondContact OD1-NH2 3.14Å; D87-R90 IonicContact OD2-NH2 3.87Å; R90-L92 PolarHBondContact O-N 2.83Å; R90-A93 PolarHBondContact O-N 3.32Å; R90-M94 WeakPolarHBondContact O-CG 3.05Å; R90-M94 PolarHBondContact O-N 3.32Å
91	T	98.2	Very high	96.4	Very high	25 Å²	25	44.5 Å²	44.5	15%	0.153	23%	0.227	C	C	.	.	H	α-helix	trans	-60.4	-44.6	175.2	-69.2	0	0	0	0	111.7	E33 D87 Q88 M94 N95	E33-T91 WeakPolarHBondContact OE1-CB 3.36Å; E33-T91 PolarHBondContact OE1-OG1 2.86Å; D87-T91 PolarHBondContact O-N 3.3Å; D87-T91 PolarHBondContact O-OG1 3Å; Q88-T91 PolarHBondContact O-N 2.87Å; T91-M94 PolarHBondContact O-N 3.18Å; T91-N95 WeakPolarHBondContact O-CB 3.34Å; T91-N95 VanDerWaalsContact O-CG 3.28Å; T91-N95 PolarHBondContact O-N 3.02Å; T91-N95 PolarHBondContact O-ND2 3.01Å
92	L	98.1	Very high	96.2	Very high	7 Å²	7	47.2 Å²	47.2	4%	0.037	24%	0.235	C	C	.	.	H	α-helix	trans	-59.2	-49.9	175.3	176.7	61.4	0	0	0	111.3	M64 Q88 V89 R90 M94 N95 M96 W117 T121	M64-L92 HydrophobicContact CE-CB 4.5Å; M64-L92 HydrophobicContact CE-CD2 3.81Å; M64-L92 HydrophobicContact CE-CG 3.76Å; Q88-L92 VanDerWaalsContact O-CB 3.31Å; Q88-L92 WeakPolarHBondContact O-CB 3.32Å; Q88-L92 PolarHBondContact O-N 3.38Å; V89-L92 PolarHBondContact O-N 3.26Å; R90-L92 PolarHBondContact O-N 2.83Å; L92-M94 PolarHBondContact O-N 3.46Å; L92-N95 PolarHBondContact O-N 3.09Å; L92-M96 HydrophobicContact CD1-CE 4.4Å; L92-M96 HydrophobicContact CD1-CG 4.28Å; L92-M96 WeakPolarHBondContact O-CG 3.31Å; L92-M96 PolarHBondContact O-N 2.66Å; L92-W117 HydrophobicContact CD1-CB 3.73Å; L92-T121 HydrophobicContact CD2-CG2 4.42Å
93	A	97.9	Very high	95.9	Very high	23 Å²	23	47.2 Å²	47.2	19%	0.19	24%	0.235	C	C	.	.	H	α-helix	trans	-59.8	-44.7	179.6	0	0	0	0	0	112.1	T60 M64 V89 R90 N95 M96 N97	T60-A93 HydrophobicContact CG2-CB 3.99Å; M64-A93 HydrophobicContact CE-CB 4.21Å; M64-A93 HydrophobicContact SD-CB 4.38Å; V89-A93 WeakPolarHBondContact O-CB 3.07Å; V89-A93 PolarHBondContact O-N 2.86Å; R90-A93 PolarHBondContact O-N 3.32Å; A93-N95 VanDerWaalsContact C-N 3.35Å; A93-N95 PolarHBondContact O-N 3.42Å; A93-M96 PolarHBondContact O-N 3.23Å; A93-M96 VanDerWaalsContact O-N 3.14Å; A93-N97 PolarHBondContact O-N 3.04Å; A93-N97 PolarHBondContact O-OD1 3.1Å
94	M	97.7	Very high	95.4	Very high	93 Å²	93	50.5 Å²	50.5	46%	0.458	26%	0.258	S	S	.	.	H	α-helix	trans	-59.3	-44.3	175.5	-73.5	-172.1	-63.7	0	0	112.1	R90 T91 L92 M96 N97	R90-M94 WeakPolarHBondContact O-CG 3.05Å; R90-M94 PolarHBondContact O-N 3.32Å; T91-M94 PolarHBondContact O-N 3.18Å; L92-M94 PolarHBondContact O-N 3.46Å; M94-M96 PolarHBondContact O-N 2.89Å; M94-N97 VanDerWaalsContact O-CB 3.31Å; M94-N97 WeakPolarHBondContact O-CB 3.04Å; M94-N97 PolarHBondContact O-N 2.55Å; M94-N97 VanDerWaalsContact O-N 3.17Å; M94-N97 PolarHBondContact O-ND2 2.79Å
95	N	95.6	Very high	94.9	Very high	103 Å²	103	59.1 Å²	59.1	55%	0.551	29%	0.291	S	S	*	.	H	α-helix	trans	-66.2	-26.5	178.4	-72.4	-24.4	0	0	0	112.6	T91 L92 A93 N97 P99	T91-N95 WeakPolarHBondContact O-CB 3.34Å; T91-N95 VanDerWaalsContact O-CG 3.28Å; T91-N95 PolarHBondContact O-N 3.02Å; T91-N95 PolarHBondContact O-ND2 3.01Å; L92-N95 PolarHBondContact O-N 3.09Å; A93-N95 VanDerWaalsContact C-N 3.35Å; A93-N95 PolarHBondContact O-N 3.42Å; N95-N97 VanDerWaalsContact C-N 3.32Å; N95-P99 WeakPolarHBondContact O-CD 3.38Å
96	M	95.6	Very high	94.7	Very high	8 Å²	8	60 Å²	60	4%	0.039	30%	0.297	C	S	.	.	H	α-helix	trans	-79.6	-7.9	176.3	-67.2	-56.4	100.2	0	0	113.7	M64 L92 A93 M94 I98 P99 Q100 F113 V114 W117	M64-M96 HydrophobicContact SD-CB 4.21Å; M64-M96 HydrophobicContact SD-CG 4.12Å; L92-M96 HydrophobicContact CD1-CE 4.4Å; L92-M96 HydrophobicContact CD1-CG 4.28Å; L92-M96 WeakPolarHBondContact O-CG 3.31Å; L92-M96 PolarHBondContact O-N 2.66Å; A93-M96 PolarHBondContact O-N 3.23Å; A93-M96 VanDerWaalsContact O-N 3.14Å; M94-M96 PolarHBondContact O-N 2.89Å; M96-I98 PolarHBondContact O-N 2.74Å; M96-P99 HydrophobicContact CE-CG 4.42Å; M96-P99 WeakPolarHBondContact O-CD 3.26Å; M96-P99 HydrophobicContact SD-CG 4.39Å; M96-Q100 VanDerWaalsContact O-CB 3.28Å; M96-Q100 WeakPolarHBondContact O-CB 3.43Å; M96-Q100 WeakPolarHBondContact O-CG 3.5Å; M96-Q100 PolarHBondContact O-N 3.48Å; M96-Q100 PolarHBondContact O-NE2 3.49Å; M96-F113 HydrophobicContact CE-CE1 4.48Å; M96-F113 HydrophobicContact SD-CD1 4.38Å; M96-F113 HydrophobicContact SD-CE1 4.19Å; M96-V114 HydrophobicContact CG-CG2 4.26Å; M96-V114 HydrophobicContact SD-CG2 3.95Å; M96-W117 HydrophobicContact CE-CB 4.18Å; M96-W117 HydrophobicContact CE-CD2 4.32Å; M96-W117 HydrophobicContact CE-CG 3.79Å; M96-W117 HydrophobicContact SD-CB 4.34Å; M96-W117 HydrophobicContact SD-CG 4.22Å
97	N	95.1	Very high	94.4	Very high	83 Å²	83	63.3 Å²	63.3	44%	0.444	32%	0.318	S	S	.	.	H	α-helix	trans	-60.2	-41.4	-178.9	-75.5	-20.4	0	0	0	113.5	A93 M94 N95 Q101	A93-N97 PolarHBondContact O-N 3.04Å; A93-N97 PolarHBondContact O-OD1 3.1Å; M94-N97 VanDerWaalsContact O-CB 3.31Å; M94-N97 WeakPolarHBondContact O-CB 3.04Å; M94-N97 PolarHBondContact O-N 2.55Å; M94-N97 VanDerWaalsContact O-N 3.17Å; M94-N97 PolarHBondContact O-ND2 2.79Å; N95-N97 VanDerWaalsContact C-N 3.32Å; N97-Q101 WeakPolarHBondContact O-CG 3.46Å; N97-Q101 PolarHBondContact O-N 2.93Å; N97-Q101 VanDerWaalsContact O-N 3.14Å; N97-Q101 PolarHBondContact O-NE2 3.32Å
98	I	91.2	Very high	94.2	Very high	108 Å²	108	63.9 Å²	63.9	55%	0.554	33%	0.327	S	S	*	.	H	α-helix	trans	-70.3	-51	178.4	-66	172.3	0	0	0	110.6	M96 Q100 Q101 Y102	M96-I98 PolarHBondContact O-N 2.74Å; I98-Q100 VanDerWaalsContact C-N 3.27Å; I98-Q100 PolarHBondContact O-N 3.4Å; I98-Q101 PolarHBondContact O-N 3.13Å; I98-Q101 VanDerWaalsContact O-N 3.17Å; I98-Y102 HydrophobicContact CG2-CD2 3.8Å; I98-Y102 HydrophobicContact CG2-CE2 3.71Å; I98-Y102 WeakPolarHBondContact O-CD2 3.47Å; I98-Y102 PolarHBondContact O-N 2.03Å
99	P	91.4	Very high	94	Very high	13 Å²	13	63.8 Å²	63.8	8%	0.084	33%	0.326	C	S	.	.	H	α-helix	trans	-52.2	-42.9	171.9	-28.9	33.9	0	0	0	114.2	N95 M96 Q101 Y102 F103 F113 M179	N95-P99 WeakPolarHBondContact O-CD 3.38Å; M96-P99 HydrophobicContact CE-CG 4.42Å; M96-P99 WeakPolarHBondContact O-CD 3.26Å; M96-P99 HydrophobicContact SD-CG 4.39Å; P99-Q101 PolarHBondContact O-N 2.87Å; P99-Y102 PolarHBondContact O-N 3.37Å; P99-F103 HydrophobicContact CB-CD2 4.24Å; P99-F103 WeakPolarHBondContact O-CB 3.48Å; P99-F103 VanDerWaalsContact O-CD2 3.28Å; P99-F103 WeakPolarHBondContact O-CD2 3.37Å; P99-F103 PolarHBondContact O-N 3.34Å; P99-F113 HydrophobicContact CB-CD1 3.89Å; P99-F113 HydrophobicContact CB-CE1 3.61Å; P99-F113 HydrophobicContact CB-CZ 4.46Å; P99-F113 HydrophobicContact CG-CD1 4.37Å; P99-F113 HydrophobicContact CG-CE1 3.6Å; P99-F113 HydrophobicContact CG-CZ 4.26Å; P99-M179 HydrophobicContact CB-CE 4.33Å; P99-M179 HydrophobicContact CG-CE 4.49Å
100	Q	92.8	Very high	93.8	Very high	73 Å²	73	65.3 Å²	65.3	34%	0.341	33%	0.334	S	S	.	.	H	α-helix	trans	-59.9	-45.1	177.2	-78.2	177.8	67.8	0	0	112.2	M96 I98 Y102 S104 L110	M96-Q100 VanDerWaalsContact O-CB 3.28Å; M96-Q100 WeakPolarHBondContact O-CB 3.43Å; M96-Q100 WeakPolarHBondContact O-CG 3.5Å; M96-Q100 PolarHBondContact O-N 3.48Å; M96-Q100 PolarHBondContact O-NE2 3.49Å; I98-Q100 VanDerWaalsContact C-N 3.27Å; I98-Q100 PolarHBondContact O-N 3.4Å; Q100-Y102 VanDerWaalsContact C-N 3.34Å; Q100-Y102 PolarHBondContact O-N 2.83Å; Q100-S104 VanDerWaalsContact O-CA 3.31Å; Q100-S104 WeakPolarHBondContact O-CA 3.38Å; Q100-S104 WeakPolarHBondContact O-CB 3.46Å; Q100-S104 PolarHBondContact O-N 3.02Å; Q100-L110 HydrophobicContact CB-CD1 4.38Å; Q100-L110 HydrophobicContact CG-CD1 3.81Å; Q100-L110 HydrophobicContact CG-CD2 4.1Å
101	Q	91.1	Very high	93.6	Very high	142 Å²	142	64.5 Å²	64.5	66%	0.664	34%	0.336	S	S	*	.	H	α-helix	trans	-59	-46.8	178	-74.8	172.1	62.7	0	0	111.6	N97 I98 P99 S104	N97-Q101 WeakPolarHBondContact O-CG 3.46Å; N97-Q101 PolarHBondContact O-N 2.93Å; N97-Q101 VanDerWaalsContact O-N 3.14Å; N97-Q101 PolarHBondContact O-NE2 3.32Å; I98-Q101 PolarHBondContact O-N 3.13Å; I98-Q101 VanDerWaalsContact O-N 3.17Å; P99-Q101 PolarHBondContact O-N 2.87Å; Q101-S104 PolarHBondContact O-OG 3.44Å
102	Y	90.3	Very high	93.5	Very high	79 Å²	79	66 Å²	66	31%	0.31	34%	0.343	S	S	.	.	H	α-helix	trans	-71.4	-40.6	-178.6	-79.8	-65.8	0	0	0	114	I98 P99 Q100 D168 V175 I178 M179	I98-Y102 HydrophobicContact CG2-CD2 3.8Å; I98-Y102 HydrophobicContact CG2-CE2 3.71Å; I98-Y102 WeakPolarHBondContact O-CD2 3.47Å; I98-Y102 PolarHBondContact O-N 2.03Å; P99-Y102 PolarHBondContact O-N 3.37Å; Q100-Y102 VanDerWaalsContact C-N 3.34Å; Q100-Y102 PolarHBondContact O-N 2.83Å; Y102-D168 HydrophobicContact CE1-CB 4.38Å; Y102-V175 VanDerWaalsContact CB-CG1 3.47Å; Y102-V175 HydrophobicContact CD1-CB 4.47Å; Y102-V175 HydrophobicContact CD1-CG1 4.01Å; Y102-V175 HydrophobicContact CD1-CG2 3.77Å; Y102-V175 HydrophobicContact CD2-CG1 4.45Å; Y102-V175 HydrophobicContact CG-CG1 3.76Å; Y102-V175 HydrophobicContact CG-CG2 4.24Å; Y102-I178 HydrophobicContact CE1-CD1 4.3Å; Y102-M179 HydrophobicContact CD2-CE 3.55Å; Y102-M179 HydrophobicContact CE2-CE 4.43Å; Y102-M179 HydrophobicContact CG-CE 3.98Å
103	F	91	Very high	93.3	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-97.5	3	-175.3	-59.2	-55.7	0	0	0	114	P99 R105 C106 C109 L110 F113 C163 V166 V175 M176 M179	P99-F103 HydrophobicContact CB-CD2 4.24Å; P99-F103 WeakPolarHBondContact O-CB 3.48Å; P99-F103 VanDerWaalsContact O-CD2 3.28Å; P99-F103 WeakPolarHBondContact O-CD2 3.37Å; P99-F103 PolarHBondContact O-N 3.34Å; F103-R105 PolarHBondContact O-N 3.14Å; F103-C106 CarbonylContact O-C 3.16Å; F103-C106 PolarHBondContact O-N 3.2Å; F103-C109 WeakPolarHBondContact CD1-SG 3.44Å; F103-C109 VanDerWaalsContact CE1-SG 3.56Å; F103-C109 VanDerWaalsContact CG-SG 3.53Å; F103-L110 HydrophobicContact CB-CB 3.89Å; F103-L110 HydrophobicContact CB-CD1 4.19Å; F103-F113 HydrophobicContact CE2-CD2 4.12Å; F103-F113 HydrophobicContact CE2-CE2 4.41Å; F103-F113 HydrophobicContact CE2-CG 4.18Å; F103-C163 HydrophobicContact CE1-CB 4.03Å; F103-C163 HydrophobicContact CZ-CB 4.42Å; F103-V166 HydrophobicContact CD1-CB 4.09Å; F103-V166 HydrophobicContact CD1-CG1 3.97Å; F103-V166 HydrophobicContact CD1-CG2 4.14Å; F103-V166 HydrophobicContact CE1-CB 4.31Å; F103-V175 HydrophobicContact CD1-CB 4.4Å; F103-V175 HydrophobicContact CD1-CG1 4Å; F103-V175 HydrophobicContact CE1-CB 3.76Å; F103-V175 HydrophobicContact CE1-CG1 3.32Å; F103-V175 HydrophobicContact CE2-CG1 4.25Å; F103-V175 HydrophobicContact CZ-CB 4.33Å; F103-V175 HydrophobicContact CZ-CG1 3.47Å; F103-V175 VanDerWaalsContact CZ-CG1 3.47Å; F103-M176 HydrophobicContact CE1-SD 4.29Å; F103-M176 HydrophobicContact CZ-SD 3.73Å; F103-M179 HydrophobicContact CD2-CE 4.13Å; F103-M179 HydrophobicContact CE2-CE 3.5Å; F103-M179 VanDerWaalsContact CE2-CE 3.5Å; F103-M179 HydrophobicContact CE2-SD 3.52Å; F103-M179 VanDerWaalsContact CE2-SD 3.52Å; F103-M179 HydrophobicContact CZ-CE 3.89Å; F103-M179 HydrophobicContact CZ-SD 3.59Å; F103-M179 VanDerWaalsContact CZ-SD 3.59Å
104	S	88.6	Confident	93.2	Very high	69 Å²	69	66.3 Å²	66.3	48%	0.483	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-33.9	179.5	53.3	0	0	0	0	114.1	Q100 Q101 C106	Q100-S104 VanDerWaalsContact O-CA 3.31Å; Q100-S104 WeakPolarHBondContact O-CA 3.38Å; Q100-S104 WeakPolarHBondContact O-CB 3.46Å; Q100-S104 PolarHBondContact O-N 3.02Å; Q101-S104 PolarHBondContact O-OG 3.44Å; S104-C106 VanDerWaalsContact C-N 3.3Å; S104-C106 PolarHBondContact O-N 3Å
105	R	88.1	Confident	93.1	Very high	182 Å²	182	63.6 Å²	63.6	69%	0.687	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-9.8	179.5	-61.6	179.9	179.3	-168.1	-3.2	114.2	F103	F103-R105 PolarHBondContact O-N 3.14Å
106	C	93.1	Very high	93.1	Very high	37 Å²	37	60.4 Å²	60.4	25%	0.25	31%	0.309	C	S	.	.			trans	-131	81.3	179.6	-170.2	0	0	0	0	109.8	F103 S104 S108 C109 L110 V166	F103-C106 CarbonylContact O-C 3.16Å; F103-C106 PolarHBondContact O-N 3.2Å; S104-C106 VanDerWaalsContact C-N 3.3Å; S104-C106 PolarHBondContact O-N 3Å; C106-S108 VanDerWaalsContact C-N 3.28Å; C106-S108 PolarHBondContact O-N 3.44Å; C106-C109 HydrophobicContact CB-CB 3.95Å; C106-C109 WeakPolarHBondContact O-CB 2.96Å; C106-C109 PolarHBondContact O-N 3.45Å; C106-C109 VanDerWaalsContact SG-CB 3.55Å; C106-L110 PolarHBondContact O-N 3.28Å; C106-V166 HydrophobicContact CB-CG2 3.61Å
107	P	92.6	Very high	93.2	Very high	90 Å²	90	64.5 Å²	64.5	58%	0.584	32%	0.324	S	S	*	.	H	α-helix	trans	-54.6	-39.4	-174	-28.7	35.9	0	0	0	114.1	L110 Q111	P107-L110 PolarHBondContact O-N 3.3Å; P107-Q111 WeakPolarHBondContact O-CB 3.31Å; P107-Q111 PolarHBondContact O-N 2.86Å
108	S	93.3	Very high	93.4	Very high	77 Å²	77	60.5 Å²	60.5	54%	0.538	30%	0.303	S	S	.	.	H	α-helix	trans	-65.8	-39.7	178.3	-51.4	0	0	0	0	112.8	C106 N112	C106-S108 VanDerWaalsContact C-N 3.28Å; C106-S108 PolarHBondContact O-N 3.44Å; S108-N112 WeakPolarHBondContact O-CB 3.48Å; S108-N112 PolarHBondContact O-N 3.17Å; S108-N112 PolarHBondContact O-ND2 3.3Å
109	C	95	Very high	93.6	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62.4	-49.2	173	162.6	0	0	0	0	110.8	F103 C106 Q111 N112 F113 S162 C163 V166	F103-C109 WeakPolarHBondContact CD1-SG 3.44Å; F103-C109 VanDerWaalsContact CE1-SG 3.56Å; F103-C109 VanDerWaalsContact CG-SG 3.53Å; C106-C109 HydrophobicContact CB-CB 3.95Å; C106-C109 WeakPolarHBondContact O-CB 2.96Å; C106-C109 PolarHBondContact O-N 3.45Å; C106-C109 VanDerWaalsContact SG-CB 3.55Å; C109-Q111 VanDerWaalsContact C-N 3.32Å; C109-Q111 PolarHBondContact O-N 3.4Å; C109-N112 PolarHBondContact O-N 3.43Å; C109-F113 VanDerWaalsContact O-CB 3.31Å; C109-F113 WeakPolarHBondContact O-CB 3.25Å; C109-F113 PolarHBondContact O-N 3.32Å; C109-S162 WeakPolarHBondContact CA-OG 3.25Å; C109-S162 WeakPolarHBondContact CB-O 3.42Å; C109-C163 HydrophobicContact CB-CB 4.08Å; C109-C163 WeakPolarHBondContact CB-SG 3.27Å; C109-C163 WeakPolarHBondContact SG-CA 3.34Å; C109-C163 WeakPolarHBondContact SG-CB 3.49Å; C109-C163 CovalentContact SG-SG 2.03Å; C109-C163 PolarHBondContact SG-SG 2.97Å; C109-V166 HydrophobicContact CB-CG2 4.39Å
110	L	94.8	Very high	93.9	Very high	33 Å²	33	57.4 Å²	57.4	17%	0.173	29%	0.285	C	S	.	.	H	α-helix	trans	-58.1	-46.7	179.3	177.6	58.6	0	0	0	111.1	Q100 F103 C106 P107 F113 V114	Q100-L110 HydrophobicContact CB-CD1 4.38Å; Q100-L110 HydrophobicContact CG-CD1 3.81Å; Q100-L110 HydrophobicContact CG-CD2 4.1Å; F103-L110 HydrophobicContact CB-CB 3.89Å; F103-L110 HydrophobicContact CB-CD1 4.19Å; C106-L110 PolarHBondContact O-N 3.28Å; P107-L110 PolarHBondContact O-N 3.3Å; L110-F113 PolarHBondContact O-N 3.01Å; L110-V114 HydrophobicContact CD1-CG2 3.72Å; L110-V114 HydrophobicContact CG-CG2 4.31Å; L110-V114 VanDerWaalsContact O-CB 3.3Å; L110-V114 WeakPolarHBondContact O-CB 3.49Å; L110-V114 VanDerWaalsContact O-CG2 3.24Å; L110-V114 WeakPolarHBondContact O-CG2 3.04Å; L110-V114 PolarHBondContact O-N 3.07Å
111	Q	95.1	Very high	94.2	Very high	110 Å²	110	54.8 Å²	54.8	51%	0.514	28%	0.275	S	S	.	.	H	α-helix	trans	-60.6	-48.2	178.7	-174.8	178.4	8.3	0	0	111.7	P107 C109 F113 V114 Q115	P107-Q111 WeakPolarHBondContact O-CB 3.31Å; P107-Q111 PolarHBondContact O-N 2.86Å; C109-Q111 VanDerWaalsContact C-N 3.32Å; C109-Q111 PolarHBondContact O-N 3.4Å; Q111-F113 VanDerWaalsContact C-N 3.35Å; Q111-F113 PolarHBondContact O-N 3.5Å; Q111-V114 PolarHBondContact O-N 3.37Å; Q111-Q115 WeakPolarHBondContact O-CB 3.35Å; Q111-Q115 PolarHBondContact O-N 3.11Å
112	N	94.3	Very high	94.6	Very high	57 Å²	57	48 Å²	48	31%	0.305	24%	0.243	S	C	.	.	H	α-helix	trans	-63.5	-40.3	178.2	-71	-21	0	0	0	112.1	S108 C109 Q115 L116 V159 S162	S108-N112 WeakPolarHBondContact O-CB 3.48Å; S108-N112 PolarHBondContact O-N 3.17Å; S108-N112 PolarHBondContact O-ND2 3.3Å; C109-N112 PolarHBondContact O-N 3.43Å; N112-Q115 WeakPolarHBondContact O-CB 3.45Å; N112-L116 PolarHBondContact O-N 3.47Å; N112-V159 HydrophobicContact CB-CG2 4.03Å; N112-S162 PolarHBondContact ND2-OG 3.16Å
113	F	94.7	Very high	94.9	Very high	30 Å²	30	44.5 Å²	44.5	13%	0.132	23%	0.23	C	C	.	.	H	α-helix	trans	-65.9	-48.2	178.1	-176.4	-87.7	0	0	0	111.5	M96 P99 F103 C109 L110 Q111 Q115 L116 W117 V159	M96-F113 HydrophobicContact CE-CE1 4.48Å; M96-F113 HydrophobicContact SD-CD1 4.38Å; M96-F113 HydrophobicContact SD-CE1 4.19Å; P99-F113 HydrophobicContact CB-CD1 3.89Å; P99-F113 HydrophobicContact CB-CE1 3.61Å; P99-F113 HydrophobicContact CB-CZ 4.46Å; P99-F113 HydrophobicContact CG-CD1 4.37Å; P99-F113 HydrophobicContact CG-CE1 3.6Å; P99-F113 HydrophobicContact CG-CZ 4.26Å; F103-F113 HydrophobicContact CE2-CD2 4.12Å; F103-F113 HydrophobicContact CE2-CE2 4.41Å; F103-F113 HydrophobicContact CE2-CG 4.18Å; C109-F113 VanDerWaalsContact O-CB 3.31Å; C109-F113 WeakPolarHBondContact O-CB 3.25Å; C109-F113 PolarHBondContact O-N 3.32Å; L110-F113 PolarHBondContact O-N 3.01Å; Q111-F113 VanDerWaalsContact C-N 3.35Å; Q111-F113 PolarHBondContact O-N 3.5Å; F113-Q115 VanDerWaalsContact C-N 3.31Å; F113-Q115 PolarHBondContact O-N 3.31Å; F113-L116 WeakPolarHBondContact O-CB 3.11Å; F113-L116 PolarHBondContact O-N 2.74Å; F113-W117 AromaticContact CE1-CD1 3.66Å; F113-W117 AromaticContact CE1-NE1 3.34Å; F113-W117 VanDerWaalsContact CE1-NE1 3.34Å; F113-W117 AromaticContact CZ-NE1 3.41Å; F113-W117 VanDerWaalsContact O-CD1 3.28Å; F113-V159 HydrophobicContact CB-CG1 4.42Å; F113-V159 HydrophobicContact CD2-CG1 4.34Å
114	V	96.4	Very high	95.1	Very high	6 Å²	6	46.2 Å²	46.2	4%	0.036	24%	0.241	C	C	.	.	H	α-helix	trans	-63.7	-38.7	178.2	166.9	0	0	0	0	111	M64 M96 L110 Q111 L116 W117 C118	M64-V114 HydrophobicContact CG-CG1 3.42Å; M64-V114 VanDerWaalsContact CG-CG1 3.42Å; M64-V114 VanDerWaalsContact O-CG1 3.26Å; M64-V114 WeakPolarHBondContact O-CG1 3.44Å; M64-V114 HydrophobicContact SD-CG1 4.32Å; M96-V114 HydrophobicContact CG-CG2 4.26Å; M96-V114 HydrophobicContact SD-CG2 3.95Å; L110-V114 HydrophobicContact CD1-CG2 3.72Å; L110-V114 HydrophobicContact CG-CG2 4.31Å; L110-V114 VanDerWaalsContact O-CB 3.3Å; L110-V114 WeakPolarHBondContact O-CB 3.49Å; L110-V114 VanDerWaalsContact O-CG2 3.24Å; L110-V114 WeakPolarHBondContact O-CG2 3.04Å; L110-V114 PolarHBondContact O-N 3.07Å; Q111-V114 PolarHBondContact O-N 3.37Å; V114-L116 PolarHBondContact O-N 2.83Å; V114-W117 PolarHBondContact O-N 3.32Å; V114-C118 VanDerWaalsContact CG1-SG 3.58Å; V114-C118 PolarHBondContact O-N 3.1Å; V114-C118 PolarHBondContact O-SG 3.24Å
115	Q	95.9	Very high	95.4	Very high	35 Å²	35	47.1 Å²	47.1	16%	0.164	24%	0.236	C	C	.	.	H	α-helix	trans	-53.9	-40.2	176.1	176.1	67.3	11.6	0	0	112.6	S67 Q111 N112 F113 W117 C118 Q119 F155	S67-Q115 VanDerWaalsContact CB-OE1 3.25Å; S67-Q115 PolarHBondContact OG-NE2 2.99Å; S67-Q115 PolarHBondContact OG-OE1 3.43Å; Q111-Q115 WeakPolarHBondContact O-CB 3.35Å; Q111-Q115 PolarHBondContact O-N 3.11Å; N112-Q115 WeakPolarHBondContact O-CB 3.45Å; F113-Q115 VanDerWaalsContact C-N 3.31Å; F113-Q115 PolarHBondContact O-N 3.31Å; Q115-W117 VanDerWaalsContact C-N 3.27Å; Q115-W117 PolarHBondContact O-N 3.4Å; Q115-C118 PolarHBondContact O-N 3.31Å; Q115-Q119 VanDerWaalsContact NE2-NE2 3.14Å; Q115-Q119 WeakPolarHBondContact O-CG 3.24Å; Q115-Q119 PolarHBondContact O-N 3.45Å; Q115-F155 HydrophobicContact CB-CE2 4.49Å; Q115-F155 HydrophobicContact CB-CZ 4.11Å; Q115-F155 HydrophobicContact CG-CE2 3.73Å; Q115-F155 HydrophobicContact CG-CZ 3.72Å
116	L	95.8	Very high	95.8	Very high	36 Å²	36	38.4 Å²	38.4	19%	0.188	20%	0.203	C	C	.	.	H	α-helix	trans	-56	-44.7	176.9	-178	64.5	0	0	0	111.5	N112 F113 V114 L120 Y149 V151 F155	N112-L116 PolarHBondContact O-N 3.47Å; F113-L116 WeakPolarHBondContact O-CB 3.11Å; F113-L116 PolarHBondContact O-N 2.74Å; V114-L116 PolarHBondContact O-N 2.83Å; L116-L120 WeakPolarHBondContact O-CB 3.34Å; L116-L120 PolarHBondContact O-N 3.18Å; L116-L120 VanDerWaalsContact O-N 3.13Å; L116-Y149 HydrophobicContact CD1-CE1 3.62Å; L116-Y149 HydrophobicContact CG-CE1 4.19Å; L116-Y149 PolarHBondContact O-OH 3.43Å; L116-V151 HydrophobicContact CD1-CG1 4.02Å; L116-V151 HydrophobicContact CD1-CG2 4.02Å; L116-F155 HydrophobicContact CB-CE1 3.81Å; L116-F155 HydrophobicContact CB-CZ 4.25Å; L116-F155 HydrophobicContact CD1-CD1 4.15Å; L116-F155 HydrophobicContact CD1-CE1 3.64Å; L116-F155 HydrophobicContact CG-CE1 4.28Å
117	W	96.9	Very high	96	Very high	94 Å²	94	37.8 Å²	37.8	36%	0.356	20%	0.199	S	C	.	.	H	α-helix	trans	-79.6	-35.4	-177.9	-62.4	105.2	0	0	0	112.3	L92 M96 F113 V114 Q115 Q119 L120 T121	L92-W117 HydrophobicContact CD1-CB 3.73Å; M96-W117 HydrophobicContact CE-CB 4.18Å; M96-W117 HydrophobicContact CE-CD2 4.32Å; M96-W117 HydrophobicContact CE-CG 3.79Å; M96-W117 HydrophobicContact SD-CB 4.34Å; M96-W117 HydrophobicContact SD-CG 4.22Å; F113-W117 AromaticContact CE1-CD1 3.66Å; F113-W117 AromaticContact CE1-NE1 3.34Å; F113-W117 VanDerWaalsContact CE1-NE1 3.34Å; F113-W117 AromaticContact CZ-NE1 3.41Å; F113-W117 VanDerWaalsContact O-CD1 3.28Å; V114-W117 PolarHBondContact O-N 3.32Å; Q115-W117 VanDerWaalsContact C-N 3.27Å; Q115-W117 PolarHBondContact O-N 3.4Å; W117-Q119 PolarHBondContact O-N 3.07Å; W117-L120 HydrophobicContact CE3-CD2 3.6Å; W117-L120 HydrophobicContact CZ3-CD2 3.55Å; W117-L120 PolarHBondContact O-N 3.05Å; W117-T121 WeakPolarHBondContact O-CB 3.25Å; W117-T121 PolarHBondContact O-N 3.32Å; W117-T121 PolarHBondContact O-OG1 3.47Å; W117-T121 VanDerWaalsContact O-OG1 3.13Å
118	C	98.2	Very high	96.2	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-58.2	-47	171.5	-68.1	0	0	0	0	111.6	C65 L68 V114 Q115 C122	C65-C118 VanDerWaalsContact CA-SG 3.54Å; C65-C118 HydrophobicContact CB-CB 3.63Å; C65-C118 WeakPolarHBondContact CB-SG 3.36Å; C65-C118 WeakPolarHBondContact SG-CB 3.43Å; C65-C118 CovalentContact SG-SG 2.03Å; C65-C118 PolarHBondContact SG-SG 3.32Å; L68-C118 HydrophobicContact CD1-CB 4.18Å; V114-C118 VanDerWaalsContact CG1-SG 3.58Å; V114-C118 PolarHBondContact O-N 3.1Å; V114-C118 PolarHBondContact O-SG 3.24Å; Q115-C118 PolarHBondContact O-N 3.31Å; C118-C122 WeakPolarHBondContact O-CB 2.99Å; C118-C122 PolarHBondContact O-N 2.69Å
119	Q	97.3	Very high	96.4	Very high	39 Å²	39	35 Å²	35	18%	0.182	18%	0.177	C	C	.	.	H	α-helix	trans	-66.4	-44.4	178.5	-69.3	-61.4	-37.1	0	0	111.5	S67 L68 Q115 W117 T121 S123 F129	S67-Q119 PolarHBondContact OG-NE2 2.65Å; L68-Q119 VanDerWaalsContact CD2-NE2 3.32Å; Q115-Q119 VanDerWaalsContact NE2-NE2 3.14Å; Q115-Q119 WeakPolarHBondContact O-CG 3.24Å; Q115-Q119 PolarHBondContact O-N 3.45Å; W117-Q119 PolarHBondContact O-N 3.07Å; Q119-T121 PolarHBondContact O-N 3.5Å; Q119-S123 WeakPolarHBondContact O-CB 3.23Å; Q119-S123 PolarHBondContact O-N 3.47Å; Q119-S123 PolarHBondContact OE1-OG 3.47Å; Q119-S123 VanDerWaalsContact OE1-OG 3.1Å; Q119-F129 HydrophobicContact CB-CZ 4.35Å
120	L	97.8	Very high	96.5	Very high	16 Å²	16	35.2 Å²	35.2	8%	0.084	18%	0.179	C	C	.	.	H	α-helix	trans	-54.9	-55	174.8	178.7	61.6	0	0	0	111.1	W30 L116 W117 Q126 L130 I147 Y149	W30-L120 HydrophobicContact CH2-CD1 3.68Å; W30-L120 HydrophobicContact CH2-CG 4.09Å; W30-L120 HydrophobicContact CZ2-CD1 4.28Å; W30-L120 HydrophobicContact CZ2-CG 4.25Å; W30-L120 WeakPolarHBondContact CZ2-O 2.98Å; L116-L120 WeakPolarHBondContact O-CB 3.34Å; L116-L120 PolarHBondContact O-N 3.18Å; L116-L120 VanDerWaalsContact O-N 3.13Å; W117-L120 HydrophobicContact CE3-CD2 3.6Å; W117-L120 HydrophobicContact CZ3-CD2 3.55Å; W117-L120 PolarHBondContact O-N 3.05Å; L120-Q126 PolarHBondContact O-NE2 3.07Å; L120-L130 HydrophobicContact CD1-CD1 3.81Å; L120-L130 HydrophobicContact CD1-CD2 3.31Å; L120-L130 HydrophobicContact CD1-CG 4.22Å; L120-L130 VanDerWaalsContact O-CD1 3.32Å; L120-L130 WeakPolarHBondContact O-CD1 3.47Å; L120-I147 HydrophobicContact CD1-CD1 3.75Å; L120-Y149 HydrophobicContact CB-CD1 4.47Å; L120-Y149 HydrophobicContact CB-CE1 3.79Å; L120-Y149 HydrophobicContact CD1-CD1 3.74Å; L120-Y149 HydrophobicContact CD1-CD2 4.44Å; L120-Y149 HydrophobicContact CD1-CE1 3.91Å; L120-Y149 HydrophobicContact CD1-CG 4.01Å; L120-Y149 HydrophobicContact CD2-CD1 4.32Å; L120-Y149 HydrophobicContact CD2-CE1 4.26Å; L120-Y149 HydrophobicContact CG-CD1 4.41Å; L120-Y149 HydrophobicContact CG-CE1 4.21Å
121	T	98.4	Very high	96.6	Very high	19 Å²	19	37.7 Å²	37.7	12%	0.117	19%	0.192	C	C	.	.	H	α-helix	trans	-78.5	-40	-168.9	-57.9	0	0	0	0	113.9	W30 C84 Q88 L92 W117 Q119 Q126	W30-T121 PolarHBondContact NE1-O 3.34Å; C84-T121 HydrophobicContact CB-CG2 4.3Å; Q88-T121 HydrophobicContact CB-CG2 4.42Å; L92-T121 HydrophobicContact CD2-CG2 4.42Å; W117-T121 WeakPolarHBondContact O-CB 3.25Å; W117-T121 PolarHBondContact O-N 3.32Å; W117-T121 PolarHBondContact O-OG1 3.47Å; W117-T121 VanDerWaalsContact O-OG1 3.13Å; Q119-T121 PolarHBondContact O-N 3.5Å; T121-Q126 PolarHBondContact O-NE2 3.34Å
122	C	98.4	Very high	96.7	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-126.3	-8.2	-161.4	-72.4	0	0	0	0	115.2	L68 L82 C83 C84 C118	L68-C122 HydrophobicContact CD1-CB 3.56Å; L82-C122 WeakPolarHBondContact CB-O 2.99Å; L82-C122 WeakPolarHBondContact CD2-O 3.37Å; C83-C122 PolarHBondContact N-O 2.8Å; C83-C122 VanDerWaalsContact N-O 3.12Å; C84-C122 HydrophobicContact CB-CB 3.92Å; C84-C122 WeakPolarHBondContact CB-SG 3.45Å; C84-C122 WeakPolarHBondContact SG-CB 3.03Å; C84-C122 CovalentContact SG-SG 2.03Å; C84-C122 PolarHBondContact SG-SG 3.01Å; C118-C122 WeakPolarHBondContact O-CB 2.99Å; C118-C122 PolarHBondContact O-N 2.69Å
123	S	97	Very high	96.9	Very high	5 Å²	5	34.3 Å²	34.3	4%	0.035	18%	0.181	C	C	.	.			trans	-53.6	136.6	-176.2	-174.7	0	0	0	0	111.8	C83 Q119 K125 Q126	C83-S123 VanDerWaalsContact CB-O 3.25Å; C83-S123 WeakPolarHBondContact CB-O 3.33Å; C83-S123 PolarHBondContact SG-O 2.93Å; Q119-S123 WeakPolarHBondContact O-CB 3.23Å; Q119-S123 PolarHBondContact O-N 3.47Å; Q119-S123 PolarHBondContact OE1-OG 3.47Å; Q119-S123 VanDerWaalsContact OE1-OG 3.1Å; S123-K125 PolarHBondContact O-N 3.22Å; S123-K125 VanDerWaalsContact O-N 3.11Å; S123-K125 PolarHBondContact OG-N 3.32Å; S123-Q126 WeakPolarHBondContact O-CG 3.1Å
124	P	95.4	Very high	97	Very high	35 Å²	35	33.7 Å²	33.7	23%	0.227	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-5.5	174.1	26.4	-31.7	0	0	0	113.2	P49	P49-P124 HydrophobicContact CB-CB 3.91Å; P49-P124 HydrophobicContact CG-CB 3.51Å; P49-P124 WeakPolarHBondContact CG-O 3.46Å
125	K	95.2	Very high	97.1	Very high	88 Å²	88	37.4 Å²	37.4	38%	0.383	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.2	31.4	-173	-53.9	-178.6	165.9	175.9	0	113	D26 S123 S127 S128 F129	D26-K125 HydrophobicContact CB-CB 3.89Å; D26-K125 HydrophobicContact CB-CG 3.76Å; D26-K125 WeakPolarHBondContact OD2-CD 3.31Å; D26-K125 VanDerWaalsContact OD2-CE 3.27Å; D26-K125 WeakPolarHBondContact OD2-CE 3.49Å; D26-K125 VanDerWaalsContact OD2-CG 3.25Å; D26-K125 WeakPolarHBondContact OD2-CG 3.16Å; S123-K125 PolarHBondContact O-N 3.22Å; S123-K125 VanDerWaalsContact O-N 3.11Å; S123-K125 PolarHBondContact OG-N 3.32Å; K125-S127 VanDerWaalsContact C-N 3.28Å; K125-S127 PolarHBondContact O-N 3.4Å; K125-S128 WeakPolarHBondContact O-CB 3.45Å; K125-S128 PolarHBondContact O-N 3.11Å; K125-S128 VanDerWaalsContact O-N 3.09Å; K125-S128 PolarHBondContact O-OG 3.09Å; K125-F129 WeakPolarHBondContact O-CE1 3.45Å
126	Q	97.1	Very high	97.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-51.8	-44.9	-174	-75.7	-174.4	-34.8	0	0	113.1	H27 V29 C83 L120 T121 S123 S128 F129 L130	H27-Q126 PolarHBondContact O-N 2.89Å; V29-Q126 HydrophobicContact CG1-CB 4.3Å; V29-Q126 HydrophobicContact CG2-CB 4.15Å; C83-Q126 HydrophobicContact CB-CG 3.98Å; L120-Q126 PolarHBondContact O-NE2 3.07Å; T121-Q126 PolarHBondContact O-NE2 3.34Å; S123-Q126 WeakPolarHBondContact O-CG 3.1Å; Q126-S128 PolarHBondContact O-N 2.91Å; Q126-F129 PolarHBondContact O-N 3.12Å; Q126-L130 HydrophobicContact CB-CB 4.45Å; Q126-L130 HydrophobicContact CB-CD1 3.85Å; Q126-L130 HydrophobicContact CG-CD1 3.7Å; Q126-L130 WeakPolarHBondContact O-CA 3.43Å; Q126-L130 WeakPolarHBondContact O-CB 3.33Å; Q126-L130 PolarHBondContact O-N 2.86Å
127	S	97.2	Very high	97.2	Very high	23 Å²	23	41.4 Å²	41.4	16%	0.161	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-57.5	-23.2	-177.1	64.7	0	0	0	0	114.1	H27 K125 F129	H27-S127 VanDerWaalsContact CD2-CB 3.48Å; H27-S127 WeakPolarHBondContact CD2-CB 3.14Å; H27-S127 PolarHBondContact CD2-OG 3.28Å; H27-S127 VanDerWaalsContact CE1-CB 3.45Å; H27-S127 WeakPolarHBondContact CE1-CB 3.12Å; H27-S127 PolarHBondContact N-OG 3.45Å; H27-S127 VanDerWaalsContact NE2-CB 3.35Å; H27-S127 WeakPolarHBondContact NE2-CB 3.21Å; H27-S127 PolarHBondContact O-N 3.17Å; H27-S127 PolarHBondContact O-OG 3.11Å; K125-S127 VanDerWaalsContact C-N 3.28Å; K125-S127 PolarHBondContact O-N 3.4Å; S127-F129 VanDerWaalsContact C-N 3.31Å; S127-F129 PolarHBondContact O-N 2.94Å
128	S	96.1	Very high	97.1	Very high	73 Å²	73	37.4 Å²	37.4	51%	0.51	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-72.7	-18.7	177.7	70.2	0	0	0	0	114.6	D26 K125 Q126	D26-S128 WeakPolarHBondContact OD1-CB 3.16Å; K125-S128 WeakPolarHBondContact O-CB 3.45Å; K125-S128 PolarHBondContact O-N 3.11Å; K125-S128 VanDerWaalsContact O-N 3.09Å; K125-S128 PolarHBondContact O-OG 3.09Å; Q126-S128 PolarHBondContact O-N 2.91Å
129	F	96.4	Very high	96.7	Very high	36 Å²	36	46.1 Å²	46.1	16%	0.158	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-144.4	-0.1	-177.6	59.4	-100.7	0	0	0	114.9	Q119 K125 Q126 S127 Y149 H150	Q119-F129 HydrophobicContact CB-CZ 4.35Å; K125-F129 WeakPolarHBondContact O-CE1 3.45Å; Q126-F129 PolarHBondContact O-N 3.12Å; S127-F129 VanDerWaalsContact C-N 3.31Å; S127-F129 PolarHBondContact O-N 2.94Å; F129-Y149 AromaticContact CD2-CD2 3.85Å; F129-Y149 HydrophobicContact CD2-CD2 3.85Å; F129-Y149 AromaticContact CD2-CE2 3.43Å; F129-Y149 HydrophobicContact CD2-CE2 3.43Å; F129-Y149 VanDerWaalsContact CD2-CE2 3.43Å; F129-Y149 HydrophobicContact CE2-CD2 4.46Å; F129-Y149 AromaticContact CE2-CE2 3.76Å; F129-Y149 HydrophobicContact CE2-CE2 3.76Å; F129-Y149 HydrophobicContact CG-CE2 4.49Å; F129-H150 PolarHBondContact O-N 3.33Å
130	L	97.6	Very high	96.3	Very high	5 Å²	5	47.6 Å²	47.6	3%	0.026	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	133.5	175.2	-63.8	173.4	0	0	0	110.5	V29 W30 L120 Q126 I147 Q148 Y149	V29-L130 HydrophobicContact CG1-CB 4.37Å; V29-L130 HydrophobicContact CG2-CB 3.96Å; V29-L130 HydrophobicContact CG2-CD1 4.24Å; W30-L130 HydrophobicContact CH2-CD1 3.85Å; W30-L130 HydrophobicContact CZ2-CD1 4.31Å; W30-L130 HydrophobicContact CZ3-CD1 4.29Å; L120-L130 HydrophobicContact CD1-CD1 3.81Å; L120-L130 HydrophobicContact CD1-CD2 3.31Å; L120-L130 HydrophobicContact CD1-CG 4.22Å; L120-L130 VanDerWaalsContact O-CD1 3.32Å; L120-L130 WeakPolarHBondContact O-CD1 3.47Å; Q126-L130 HydrophobicContact CB-CB 4.45Å; Q126-L130 HydrophobicContact CB-CD1 3.85Å; Q126-L130 HydrophobicContact CG-CD1 3.7Å; Q126-L130 WeakPolarHBondContact O-CA 3.43Å; Q126-L130 WeakPolarHBondContact O-CB 3.33Å; Q126-L130 PolarHBondContact O-N 2.86Å; L130-I147 HydrophobicContact CD2-CD1 4.45Å; L130-Q148 WeakPolarHBondContact CA-O 3.4Å; L130-Y149 HydrophobicContact CD2-CD1 4.45Å; L130-Y149 HydrophobicContact CD2-CD2 3.32Å; L130-Y149 HydrophobicContact CD2-CE2 4.02Å; L130-Y149 HydrophobicContact CD2-CG 3.58Å; L130-Y149 HydrophobicContact CG-CD2 4.31Å
131	N	96.5	Very high	96.1	Very high	84 Å²	84	53.1 Å²	53.1	45%	0.449	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	131.9	171.5	-172.9	11.8	0	0	0	109.7	I147 Q148	N131-I147 CarbonylContact O-C 3.52Å; N131-I147 VanDerWaalsContact O-CA 3.22Å; N131-I147 WeakPolarHBondContact O-CA 3.38Å; N131-Q148 HydrophobicContact CB-CB 4.39Å; N131-Q148 PolarHBondContact N-O 2.93Å; N131-Q148 PolarHBondContact O-N 2.91Å
132	V	98	Very high	96.1	Very high	33 Å²	33	54.1 Å²	54.1	20%	0.2	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	113.9	173.5	174.1	0	0	0	0	108	V29 T135 V144	V29-V132 HydrophobicContact CB-CG2 3.93Å; V29-V132 HydrophobicContact CG2-CG2 4.16Å; V132-T135 HydrophobicContact CG1-CG2 3.72Å; V132-V144 HydrophobicContact CG1-CG1 4.23Å; V132-V144 HydrophobicContact CG1-CG2 4.26Å; V132-V144 HydrophobicContact CG2-CG1 4.08Å; V132-V144 HydrophobicContact CG2-CG2 3.84Å
133	T	97.7	Very high	96	Very high	63 Å²	63	54.1 Å²	54.1	39%	0.387	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	-11.2	-177.6	56.8	0	0	0	0	113.6	E146 Q148	T133-E146 PolarHBondContact N-O 2.03Å; T133-E146 WeakPolarHBondContact OG1-CB 3.29Å; T133-Q148 HydrophobicContact CG2-CB 4.32Å; T133-Q148 HydrophobicContact CG2-CG 3.65Å
134	G	97.9	Very high	96.1	Very high	17 Å²	17	54.6 Å²	54.6	18%	0.175	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	141.7	178.3	0	0	0	0	0	111.2	Q145 E146	G134-Q145 PolarHBondContact O-N 2.03Å; G134-E146 PolarHBondContact N-O 2.89Å; G134-E146 PolarHBondContact O-N 3.24Å; G134-E146 VanDerWaalsContact O-N 3.07Å
135	T	98	Very high	96.2	Very high	84 Å²	84	57.3 Å²	57.3	52%	0.515	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	154.5	177.5	60.4	0	0	0	0	110.3	V44 V132 A143	V44-T135 HydrophobicContact CG2-CG2 3.63Å; V132-T135 HydrophobicContact CG1-CG2 3.72Å; T135-A143 CarbonylContact C-O 3.57Å; T135-A143 WeakPolarHBondContact CA-O 3.33Å
136	V	97.6	Very high	96.3	Very high	45 Å²	45	58.8 Å²	58.8	27%	0.273	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	149.2	172.6	63	0	0	0	0	109.2	V36 K41 A143 Q145	V36-V136 HydrophobicContact CG1-CG1 4.17Å; V36-V136 HydrophobicContact CG1-CG2 4.16Å; V36-V136 HydrophobicContact CG2-CG1 4.06Å; K41-V136 HydrophobicContact CD-CG1 4.21Å; V136-A143 HydrophobicContact CG1-CB 4.01Å; V136-A143 PolarHBondContact N-O 2.85Å; V136-A143 PolarHBondContact O-N 3.36Å; V136-Q145 HydrophobicContact CB-CB 4.35Å; V136-Q145 HydrophobicContact CG1-CB 4.27Å
137	D	96.5	Very high	96.3	Very high	110 Å²	110	61.8 Å²	61.8	59%	0.588	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65	140.1	174.6	-173.3	72.6	0	0	0	110.9	E139	D137-E139 PolarHBondContact OD2-N 3.43Å
138	A	94.6	Very high	96.4	Very high	10 Å²	10	65.4 Å²	65.4	8%	0.083	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	66.2	179	0	0	0	0	0	108.8	C34 V36 K141 A143	C34-A138 HydrophobicContact CB-CB 3.95Å; V36-A138 HydrophobicContact CG2-CB 3.55Å; A138-K141 WeakPolarHBondContact CA-O 3.47Å; A138-K141 HydrophobicContact CB-CB 4.47Å; A138-K141 PolarHBondContact N-O 3.06Å; A138-K141 PolarHBondContact O-N 3.22Å; A138-A143 HydrophobicContact CB-CB 3.87Å
139	E	89.4	Confident	96.4	Very high	184 Å²	184	65 Å²	65	86%	0.86	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	51.7	176.9	-58.1	179.1	-178.9	0	0	112.6	D137 K141	D137-E139 PolarHBondContact OD2-N 3.43Å; E139-K141 VanDerWaalsContact C-N 3.31Å
140	G	89.8	Confident	96.4	Very high	70 Å²	70	68.6 Å²	68.6	72%	0.722	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.7	4.3	-179.3	0	0	0	0	0	114.5
141	K	93.5	Very high	96.3	Very high	131 Å²	131	70.4 Å²	70.4	57%	0.57	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.6	160.8	162.5	-63	176.6	-175.8	168	0	109.7	A138 E139	A138-K141 WeakPolarHBondContact CA-O 3.47Å; A138-K141 HydrophobicContact CB-CB 4.47Å; A138-K141 PolarHBondContact N-O 3.06Å; A138-K141 PolarHBondContact O-N 3.22Å; E139-K141 VanDerWaalsContact C-N 3.31Å
142	A	97.2	Very high	96.2	Very high	41 Å²	41	70.8 Å²	70.8	34%	0.339	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	128.7	167.5	0	0	0	0	0	109.6	V44	V44-A142 HydrophobicContact CB-CB 4.04Å; V44-A142 HydrophobicContact CG2-CB 3.77Å; V44-A142 WeakPolarHBondContact CG2-O 3Å; V44-A142 PolarHBondContact N-O 3.4Å
143	A	98.2	Very high	96	Very high	0 Å²	0	75.6 Å²	75.6	0%	0	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	143.8	168.8	0	0	0	0	0	110.5	C34 V36 K41 N42 T135 V136 A138 Q145	C34-A143 HydrophobicContact CB-CB 3.82Å; V36-A143 HydrophobicContact CG2-CB 3.85Å; K41-A143 HydrophobicContact CB-CB 4.08Å; K41-A143 HydrophobicContact CD-CB 4.42Å; N42-A143 WeakPolarHBondContact O-CA 3.23Å; T135-A143 CarbonylContact C-O 3.57Å; T135-A143 WeakPolarHBondContact CA-O 3.33Å; V136-A143 HydrophobicContact CG1-CB 4.01Å; V136-A143 PolarHBondContact N-O 2.85Å; V136-A143 PolarHBondContact O-N 3.36Å; A138-A143 HydrophobicContact CB-CB 3.87Å; A143-Q145 PolarHBondContact O-N 3.43Å
144	V	98.2	Very high	95.9	Very high	15 Å²	15	78.2 Å²	78.2	9%	0.091	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	122.5	176.9	177.3	0	0	0	0	109.3	W30 N42 V44 V132 I147	W30-V144 HydrophobicContact CB-CG2 4.26Å; W30-V144 HydrophobicContact CE3-CG1 4.37Å; W30-V144 HydrophobicContact CE3-CG2 4.21Å; N42-V144 PolarHBondContact O-N 3.5Å; V44-V144 HydrophobicContact CG2-CG2 3.74Å; V132-V144 HydrophobicContact CG1-CG1 4.23Å; V132-V144 HydrophobicContact CG1-CG2 4.26Å; V132-V144 HydrophobicContact CG2-CG1 4.08Å; V132-V144 HydrophobicContact CG2-CG2 3.84Å; V144-I147 HydrophobicContact CG1-CG2 3.33Å
145	Q	97.5	Very high	95.6	Very high	92 Å²	92	80.3 Å²	80.3	43%	0.43	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	-38.6	179.6	179.4	56.5	74.5	0	0	111.7	G134 V136 A143	G134-Q145 PolarHBondContact O-N 2.03Å; V136-Q145 HydrophobicContact CB-CB 4.35Å; V136-Q145 HydrophobicContact CG1-CB 4.27Å; A143-Q145 PolarHBondContact O-N 3.43Å
146	E	97.9	Very high	95.4	Very high	118 Å²	118	79.2 Å²	79.2	55%	0.551	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.6	144.6	-179.2	-63.6	-179	177.9	0	0	110.6	T133 G134	T133-E146 PolarHBondContact N-O 2.03Å; T133-E146 WeakPolarHBondContact OG1-CB 3.29Å; G134-E146 PolarHBondContact N-O 2.89Å; G134-E146 PolarHBondContact O-N 3.24Å; G134-E146 VanDerWaalsContact O-N 3.07Å
147	I	97.5	Very high	95.1	Very high	64 Å²	64	79.9 Å²	79.9	33%	0.328	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	149.8	179.8	64.4	168.8	0	0	0	110.2	W30 L120 L130 N131 V144	W30-I147 HydrophobicContact CH2-CD1 4.27Å; W30-I147 HydrophobicContact CZ3-CD1 4.37Å; W30-I147 HydrophobicContact CZ3-CG2 3.92Å; L120-I147 HydrophobicContact CD1-CD1 3.75Å; L130-I147 HydrophobicContact CD2-CD1 4.45Å; N131-I147 CarbonylContact O-C 3.52Å; N131-I147 VanDerWaalsContact O-CA 3.22Å; N131-I147 WeakPolarHBondContact O-CA 3.38Å; V144-I147 HydrophobicContact CG1-CG2 3.33Å
148	Q	97.6	Very high	95	Very high	99 Å²	99	76.2 Å²	76.2	46%	0.463	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	122.8	157.6	-71.2	177.3	16.7	0	0	108.2	L130 N131 T133	L130-Q148 WeakPolarHBondContact CA-O 3.4Å; N131-Q148 HydrophobicContact CB-CB 4.39Å; N131-Q148 PolarHBondContact N-O 2.93Å; N131-Q148 PolarHBondContact O-N 2.91Å; T133-Q148 HydrophobicContact CG2-CB 4.32Å; T133-Q148 HydrophobicContact CG2-CG 3.65Å
149	Y	97	Very high	94.9	Very high	63 Å²	63	76.4 Å²	76.4	25%	0.247	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	107.7	176.9	-176.9	-165.8	0	0	0	110	L116 L120 F129 L130 V151	L116-Y149 HydrophobicContact CD1-CE1 3.62Å; L116-Y149 HydrophobicContact CG-CE1 4.19Å; L116-Y149 PolarHBondContact O-OH 3.43Å; L120-Y149 HydrophobicContact CB-CD1 4.47Å; L120-Y149 HydrophobicContact CB-CE1 3.79Å; L120-Y149 HydrophobicContact CD1-CD1 3.74Å; L120-Y149 HydrophobicContact CD1-CD2 4.44Å; L120-Y149 HydrophobicContact CD1-CE1 3.91Å; L120-Y149 HydrophobicContact CD1-CG 4.01Å; L120-Y149 HydrophobicContact CD2-CD1 4.32Å; L120-Y149 HydrophobicContact CD2-CE1 4.26Å; L120-Y149 HydrophobicContact CG-CD1 4.41Å; L120-Y149 HydrophobicContact CG-CE1 4.21Å; F129-Y149 AromaticContact CD2-CD2 3.85Å; F129-Y149 HydrophobicContact CD2-CD2 3.85Å; F129-Y149 AromaticContact CD2-CE2 3.43Å; F129-Y149 HydrophobicContact CD2-CE2 3.43Å; F129-Y149 VanDerWaalsContact CD2-CE2 3.43Å; F129-Y149 HydrophobicContact CE2-CD2 4.46Å; F129-Y149 AromaticContact CE2-CE2 3.76Å; F129-Y149 HydrophobicContact CE2-CE2 3.76Å; F129-Y149 HydrophobicContact CG-CE2 4.49Å; L130-Y149 HydrophobicContact CD2-CD1 4.45Å; L130-Y149 HydrophobicContact CD2-CD2 3.32Å; L130-Y149 HydrophobicContact CD2-CE2 4.02Å; L130-Y149 HydrophobicContact CD2-CG 3.58Å; L130-Y149 HydrophobicContact CG-CD2 4.31Å; Y149-V151 HydrophobicContact CD1-CG2 3.76Å; Y149-V151 HydrophobicContact CD2-CG2 3.64Å; Y149-V151 HydrophobicContact CE1-CG2 3.7Å; Y149-V151 HydrophobicContact CE2-CG2 3.55Å; Y149-V151 HydrophobicContact CG-CG2 3.76Å; Y149-V151 PolarHBondContact O-N 3.17Å
150	H	97.1	Very high	95	Very high	113 Å²	113	70.6 Å²	70.6	52%	0.523	39%	0.394	S	S	.	.			trans	-85.6	107.4	179.5	-58.4	-72.1	0	0	0	109.8	F129	F129-H150 PolarHBondContact O-N 3.33Å
151	V	94.7	Very high	95.2	Very high	42 Å²	42	71.2 Å²	71.2	26%	0.255	38%	0.38	S	S	.	.			trans	-116.2	137	178.7	-166.8	0	0	0	0	109	L116 Y149 F155 V156	L116-V151 HydrophobicContact CD1-CG1 4.02Å; L116-V151 HydrophobicContact CD1-CG2 4.02Å; Y149-V151 HydrophobicContact CD1-CG2 3.76Å; Y149-V151 HydrophobicContact CD2-CG2 3.64Å; Y149-V151 HydrophobicContact CE1-CG2 3.7Å; Y149-V151 HydrophobicContact CE2-CG2 3.55Å; Y149-V151 HydrophobicContact CG-CG2 3.76Å; Y149-V151 PolarHBondContact O-N 3.17Å; V151-F155 HydrophobicContact CG1-CB 4.13Å; V151-F155 HydrophobicContact CG1-CD1 3.56Å; V151-F155 HydrophobicContact CG1-CE1 4.43Å; V151-F155 HydrophobicContact CG1-CG 4.19Å; V151-V156 HydrophobicContact CB-CG2 3.9Å; V151-V156 HydrophobicContact CG1-CG2 3.55Å
152	T	94	Very high	95.1	Very high	92 Å²	92	66.4 Å²	66.4	56%	0.564	36%	0.364	S	S	*	.			trans	-68.2	143	179.2	67.2	0	0	0	0	111.2	T154 F155 V156	T152-T154 PolarHBondContact O-N 2.85Å; T152-F155 PolarHBondContact O-N 2.62Å; T152-F155 VanDerWaalsContact OG1-CB 3.29Å; T152-F155 WeakPolarHBondContact OG1-CB 3.35Å; T152-F155 PolarHBondContact OG1-N 3.34Å; T152-V156 PolarHBondContact O-N 2.88Å
153	N	94	Very high	94.9	Very high	134 Å²	134	64.5 Å²	64.5	72%	0.717	35%	0.347	S	S	*	.	H	α-helix	trans	-56.1	-36.2	175.3	-74.7	-13.5	0	0	0	112.1	S157	N153-S157 WeakPolarHBondContact O-CB 3.37Å; N153-S157 PolarHBondContact O-N 2.96Å; N153-S157 PolarHBondContact O-OG 2.84Å
154	T	94.7	Very high	94.5	Very high	119 Å²	119	68.6 Å²	68.6	73%	0.73	36%	0.363	S	S	*	.	H	α-helix	trans	-61	-45.6	176	-53.4	0	0	0	0	111.4	T152 G158	T152-T154 PolarHBondContact O-N 2.85Å; T154-G158 PolarHBondContact O-N 2.74Å
155	F	93.4	Very high	94.2	Very high	61 Å²	61	75 Å²	75	27%	0.268	39%	0.387	S	S	.	.	H	α-helix	trans	-65.3	-50.6	178.9	-174.9	-89.1	0	0	0	111.3	Q115 L116 V151 T152 S157 G158 V159	Q115-F155 HydrophobicContact CB-CE2 4.49Å; Q115-F155 HydrophobicContact CB-CZ 4.11Å; Q115-F155 HydrophobicContact CG-CE2 3.73Å; Q115-F155 HydrophobicContact CG-CZ 3.72Å; L116-F155 HydrophobicContact CB-CE1 3.81Å; L116-F155 HydrophobicContact CB-CZ 4.25Å; L116-F155 HydrophobicContact CD1-CD1 4.15Å; L116-F155 HydrophobicContact CD1-CE1 3.64Å; L116-F155 HydrophobicContact CG-CE1 4.28Å; V151-F155 HydrophobicContact CG1-CB 4.13Å; V151-F155 HydrophobicContact CG1-CD1 3.56Å; V151-F155 HydrophobicContact CG1-CE1 4.43Å; V151-F155 HydrophobicContact CG1-CG 4.19Å; T152-F155 PolarHBondContact O-N 2.62Å; T152-F155 VanDerWaalsContact OG1-CB 3.29Å; T152-F155 WeakPolarHBondContact OG1-CB 3.35Å; T152-F155 PolarHBondContact OG1-N 3.34Å; F155-S157 VanDerWaalsContact C-N 3.35Å; F155-S157 PolarHBondContact O-N 2.84Å; F155-G158 WeakPolarHBondContact O-CA 3.4Å; F155-G158 PolarHBondContact O-N 2.84Å; F155-G158 VanDerWaalsContact O-N 3.11Å; F155-V159 HydrophobicContact CD1-CG2 4.02Å; F155-V159 HydrophobicContact CE1-CG2 3.6Å; F155-V159 HydrophobicContact CZ-CG2 4.01Å; F155-V159 WeakPolarHBondContact O-CG2 3.44Å; F155-V159 PolarHBondContact O-N 3.27Å
156	V	92.3	Very high	93.9	Very high	61 Å²	61	71.3 Å²	71.3	37%	0.37	37%	0.37	S	S	.	.	H	α-helix	trans	-59.7	-45.3	179.4	177.3	0	0	0	0	111.4	V151 T152 G158 V159 F160	V151-V156 HydrophobicContact CB-CG2 3.9Å; V151-V156 HydrophobicContact CG1-CG2 3.55Å; T152-V156 PolarHBondContact O-N 2.88Å; V156-G158 VanDerWaalsContact C-N 3.3Å; V156-G158 PolarHBondContact O-N 2.99Å; V156-V159 PolarHBondContact O-N 2.87Å; V156-F160 PolarHBondContact O-N 3.26Å
157	S	92.4	Very high	93.5	Very high	59 Å²	59	70.4 Å²	70.4	41%	0.413	37%	0.366	S	S	.	.	H	α-helix	trans	-63.6	-37.4	176.8	-59.5	0	0	0	0	111.8	N153 F155 N161	N153-S157 WeakPolarHBondContact O-CB 3.37Å; N153-S157 PolarHBondContact O-N 2.96Å; N153-S157 PolarHBondContact O-OG 2.84Å; F155-S157 VanDerWaalsContact C-N 3.35Å; F155-S157 PolarHBondContact O-N 2.84Å; S157-N161 WeakPolarHBondContact O-CB 3.49Å; S157-N161 VanDerWaalsContact O-CG 3.24Å; S157-N161 PolarHBondContact O-N 2.84Å; S157-N161 PolarHBondContact O-ND2 3.01Å; S157-N161 VanDerWaalsContact O-ND2 3.08Å
158	G	93.5	Very high	93.1	Very high	32 Å²	32	68.2 Å²	68.2	33%	0.33	36%	0.355	S	S	.	.	H	α-helix	trans	-62.1	-48.5	174.9	0	0	0	0	0	112.2	T154 F155 V156 N161 S162	T154-G158 PolarHBondContact O-N 2.74Å; F155-G158 WeakPolarHBondContact O-CA 3.4Å; F155-G158 PolarHBondContact O-N 2.84Å; F155-G158 VanDerWaalsContact O-N 3.11Å; V156-G158 VanDerWaalsContact C-N 3.3Å; V156-G158 PolarHBondContact O-N 2.99Å; G158-N161 PolarHBondContact O-N 3.24Å; G158-S162 WeakPolarHBondContact O-CB 3.42Å; G158-S162 PolarHBondContact O-N 3.36Å; G158-S162 PolarHBondContact O-OG 2.98Å
159	V	92.8	Very high	92.6	Very high	15 Å²	15	67.6 Å²	67.6	9%	0.091	36%	0.359	C	S	.	.	H	α-helix	trans	-56.8	-54.8	174.1	177.5	0	0	0	0	109.8	N112 F113 F155 V156 N161 S162 C163	N112-V159 HydrophobicContact CB-CG2 4.03Å; F113-V159 HydrophobicContact CB-CG1 4.42Å; F113-V159 HydrophobicContact CD2-CG1 4.34Å; F155-V159 HydrophobicContact CD1-CG2 4.02Å; F155-V159 HydrophobicContact CE1-CG2 3.6Å; F155-V159 HydrophobicContact CZ-CG2 4.01Å; F155-V159 WeakPolarHBondContact O-CG2 3.44Å; F155-V159 PolarHBondContact O-N 3.27Å; V156-V159 PolarHBondContact O-N 2.87Å; V159-N161 PolarHBondContact O-N 3.5Å; V159-S162 PolarHBondContact O-N 2.92Å; V159-S162 PolarHBondContact O-OG 3.33Å; V159-C163 PolarHBondContact O-N 3.14Å; V159-C163 VanDerWaalsContact O-N 3.13Å; V159-C163 PolarHBondContact O-SG 2.95Å
160	F	92.1	Very high	92.2	Very high	62 Å²	62	69.3 Å²	69.3	27%	0.272	38%	0.381	S	S	.	.	H	α-helix	trans	-57.8	-49.6	-178.8	179.8	-94.5	0	0	0	112.2	V156 S162 C163 R164 M176	V156-F160 PolarHBondContact O-N 3.26Å; F160-S162 VanDerWaalsContact C-N 3.28Å; F160-S162 PolarHBondContact O-N 3.18Å; F160-C163 CarbonylContact O-C 3.6Å; F160-C163 PolarHBondContact O-N 3.36Å; F160-R164 HydrophobicContact CD1-CB 4.3Å; F160-R164 HydrophobicContact CE1-CB 3.93Å; F160-R164 HydrophobicContact CZ-CB 4.13Å; F160-R164 WeakPolarHBondContact O-CB 3.47Å; F160-R164 PolarHBondContact O-N 3.45Å; F160-M176 HydrophobicContact CD2-CE 4.46Å
161	N	92.8	Very high	91.9	Very high	82 Å²	82	67.4 Å²	67.4	44%	0.439	38%	0.377	S	S	.	.	H	α-helix	trans	-64.9	-32.7	-178.5	-74.9	-35.9	0	0	0	112.6	S157 G158 V159 C163 R164	S157-N161 WeakPolarHBondContact O-CB 3.49Å; S157-N161 VanDerWaalsContact O-CG 3.24Å; S157-N161 PolarHBondContact O-N 2.84Å; S157-N161 PolarHBondContact O-ND2 3.01Å; S157-N161 VanDerWaalsContact O-ND2 3.08Å; G158-N161 PolarHBondContact O-N 3.24Å; V159-N161 PolarHBondContact O-N 3.5Å; N161-C163 VanDerWaalsContact C-N 3.29Å; N161-C163 PolarHBondContact O-N 3.14Å; N161-R164 PolarHBondContact OD1-NH1 3.49Å
162	S	93.3	Very high	91.5	Very high	31 Å²	31	70.9 Å²	70.9	22%	0.217	39%	0.394	C	S	.	.	H	α-helix	trans	-68.5	-28.7	173.5	67.5	0	0	0	0	112.8	C109 N112 G158 V159 F160	C109-S162 WeakPolarHBondContact CA-OG 3.25Å; C109-S162 WeakPolarHBondContact CB-O 3.42Å; N112-S162 PolarHBondContact ND2-OG 3.16Å; G158-S162 WeakPolarHBondContact O-CB 3.42Å; G158-S162 PolarHBondContact O-N 3.36Å; G158-S162 PolarHBondContact O-OG 2.98Å; V159-S162 PolarHBondContact O-N 2.92Å; V159-S162 PolarHBondContact O-OG 3.33Å; F160-S162 VanDerWaalsContact C-N 3.28Å; F160-S162 PolarHBondContact O-N 3.18Å
163	C	92.8	Very high	91.3	Very high	0 Å²	0	71.2 Å²	71.2	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-104.3	-16.6	-173.1	-60.8	0	0	0	0	115.5	F103 C109 V159 F160 N161 Y165 V166 M176	F103-C163 HydrophobicContact CE1-CB 4.03Å; F103-C163 HydrophobicContact CZ-CB 4.42Å; C109-C163 HydrophobicContact CB-CB 4.08Å; C109-C163 WeakPolarHBondContact CB-SG 3.27Å; C109-C163 WeakPolarHBondContact SG-CA 3.34Å; C109-C163 WeakPolarHBondContact SG-CB 3.49Å; C109-C163 CovalentContact SG-SG 2.03Å; C109-C163 PolarHBondContact SG-SG 2.97Å; V159-C163 PolarHBondContact O-N 3.14Å; V159-C163 VanDerWaalsContact O-N 3.13Å; V159-C163 PolarHBondContact O-SG 2.95Å; F160-C163 CarbonylContact O-C 3.6Å; F160-C163 PolarHBondContact O-N 3.36Å; N161-C163 VanDerWaalsContact C-N 3.29Å; N161-C163 PolarHBondContact O-N 3.14Å; C163-Y165 PolarHBondContact O-N 2.98Å; C163-V166 PolarHBondContact O-N 2.99Å; C163-M176 HydrophobicContact CB-CG 3.84Å; C163-M176 HydrophobicContact CB-SD 3.81Å
164	R	90	Very high	91.1	Very high	86 Å²	86	69.5 Å²	69.5	33%	0.325	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-20.3	-167.1	69.6	-178.5	-172.8	176.2	5.9	116	F160 N161 R174	F160-R164 HydrophobicContact CD1-CB 4.3Å; F160-R164 HydrophobicContact CE1-CB 3.93Å; F160-R164 HydrophobicContact CZ-CB 4.13Å; F160-R164 WeakPolarHBondContact O-CB 3.47Å; F160-R164 PolarHBondContact O-N 3.45Å; N161-R164 PolarHBondContact OD1-NH1 3.49Å; R164-R174 VanDerWaalsContact O-CD 3.22Å; R164-R174 WeakPolarHBondContact O-CD 3.07Å; R164-R174 PolarHBondContact O-NE 3.08Å
165	Y	90.1	Very high	90.9	Very high	150 Å²	150	63.8 Å²	63.8	59%	0.588	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108	1.4	179.1	-59.5	-55.7	0	0	0	113.8	C163 Q167	C163-Y165 PolarHBondContact O-N 2.98Å; Y165-Q167 PolarHBondContact O-N 3.49Å
166	V	91.3	Very high	90.7	Very high	15 Å²	15	62 Å²	62	9%	0.091	33%	0.331	C	S	.	.			trans	-69	121	176.1	-174.1	0	0	0	0	108.6	F103 C106 C109 C163 R174 V175	F103-V166 HydrophobicContact CD1-CB 4.09Å; F103-V166 HydrophobicContact CD1-CG1 3.97Å; F103-V166 HydrophobicContact CD1-CG2 4.14Å; F103-V166 HydrophobicContact CE1-CB 4.31Å; C106-V166 HydrophobicContact CB-CG2 3.61Å; C109-V166 HydrophobicContact CB-CG2 4.39Å; C163-V166 PolarHBondContact O-N 2.99Å; V166-R174 WeakPolarHBondContact O-CA 3.43Å; V166-V175 HydrophobicContact CB-CG2 4.41Å; V166-V175 HydrophobicContact CG1-CB 4.48Å; V166-V175 HydrophobicContact CG1-CG2 3.89Å; V166-V175 PolarHBondContact O-N 3.39Å
167	Q	91	Very high	90.4	Very high	98 Å²	98	61 Å²	61	46%	0.458	32%	0.324	S	S	.	.	B	Isolated β-bridge	trans	-105.7	140.1	-179.9	-68.9	178.7	-53	0	0	110.8	Y165 N172 Q173	Y165-Q167 PolarHBondContact O-N 3.49Å; Q167-N172 PolarHBondContact NE2-OD1 3.36Å; Q167-N172 VanDerWaalsContact NE2-OD1 3.13Å; Q167-Q173 CarbonylContact C-O 3.22Å; Q167-Q173 VanDerWaalsContact CA-O 3.32Å; Q167-Q173 WeakPolarHBondContact CA-O 3.24Å
168	D	89	Confident	90.1	Very high	19 Å²	19	60.6 Å²	60.6	10%	0.102	32%	0.316	C	S	.	.			trans	-72.6	120.7	164.6	168.3	47.6	0	0	0	109.2	Y102 S170 T171 N172 Q173 V175 I178	Y102-D168 HydrophobicContact CE1-CB 4.38Å; D168-S170 PolarHBondContact O-N 2.89Å; D168-S170 PolarHBondContact OD1-N 3.5Å; D168-S170 PolarHBondContact OD1-OG 2.88Å; D168-S170 PolarHBondContact OD2-N 2.81Å; D168-S170 PolarHBondContact OD2-OG 3.35Å; D168-T171 PolarHBondContact O-N 2.96Å; D168-T171 WeakPolarHBondContact OD2-CB 3.08Å; D168-T171 WeakPolarHBondContact OD2-CG2 3.29Å; D168-T171 PolarHBondContact OD2-N 3.33Å; D168-T171 PolarHBondContact OD2-OG1 2.99Å; D168-N172 VanDerWaalsContact O-CA 3.31Å; D168-N172 WeakPolarHBondContact O-CA 3.45Å; D168-N172 PolarHBondContact O-N 3.2Å; D168-Q173 PolarHBondContact N-O 2.92Å; D168-V175 HydrophobicContact CB-CG2 4.46Å; D168-I178 HydrophobicContact CB-CD1 3.86Å
169	P	86.8	Confident	89.8	Confident	85 Å²	85	62 Å²	62	55%	0.552	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-24.9	-178.3	25.4	-36.7	0	0	0	113.9
170	S	89.3	Confident	89.3	Confident	100 Å²	100	62.9 Å²	62.9	70%	0.699	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-34.5	-175.3	78.4	0	0	0	0	112.9	D168	D168-S170 PolarHBondContact O-N 2.89Å; D168-S170 PolarHBondContact OD1-N 3.5Å; D168-S170 PolarHBondContact OD1-OG 2.88Å; D168-S170 PolarHBondContact OD2-N 2.81Å; D168-S170 PolarHBondContact OD2-OG 3.35Å
171	T	89.3	Confident	88.8	Confident	72 Å²	72	70.7 Å²	70.7	44%	0.442	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-10.5	-176.6	61.5	0	0	0	0	114.2	D168 Q173	D168-T171 PolarHBondContact O-N 2.96Å; D168-T171 WeakPolarHBondContact OD2-CB 3.08Å; D168-T171 WeakPolarHBondContact OD2-CG2 3.29Å; D168-T171 PolarHBondContact OD2-N 3.33Å; D168-T171 PolarHBondContact OD2-OG1 2.99Å; T171-Q173 PolarHBondContact O-N 3.02Å; T171-Q173 VanDerWaalsContact O-N 3.1Å; T171-Q173 PolarHBondContact OG1-N 3.39Å
172	N	87.4	Confident	88	Confident	115 Å²	115	68.5 Å²	68.5	62%	0.615	35%	0.345	S	S	*	.			trans	58.6	12.9	-170.5	-161.8	26.2	0	0	0	114	Q167 D168	Q167-N172 PolarHBondContact NE2-OD1 3.36Å; Q167-N172 VanDerWaalsContact NE2-OD1 3.13Å; D168-N172 VanDerWaalsContact O-CA 3.31Å; D168-N172 WeakPolarHBondContact O-CA 3.45Å; D168-N172 PolarHBondContact O-N 3.2Å
173	Q	89.7	Confident	86.9	Confident	99 Å²	99	73.9 Å²	73.9	46%	0.463	37%	0.365	S	S	.	.			trans	-86.1	155.1	176.6	-64	-170.2	7.1	0	0	111.4	Q167 D168 T171 V175 I178	Q167-Q173 CarbonylContact C-O 3.22Å; Q167-Q173 VanDerWaalsContact CA-O 3.32Å; Q167-Q173 WeakPolarHBondContact CA-O 3.24Å; D168-Q173 PolarHBondContact N-O 2.92Å; T171-Q173 PolarHBondContact O-N 3.02Å; T171-Q173 VanDerWaalsContact O-N 3.1Å; T171-Q173 PolarHBondContact OG1-N 3.39Å; Q173-V175 PolarHBondContact O-N 3.32Å; Q173-I178 HydrophobicContact CB-CD1 4.22Å; Q173-I178 HydrophobicContact CB-CG1 4.29Å
174	R	90.3	Very high	85.5	Confident	98 Å²	98	74.8 Å²	74.8	37%	0.37	37%	0.371	S	S	.	.	B	Isolated β-bridge	trans	-69.4	129.6	172.5	-68.6	176.6	179.7	-178.9	5.3	110	R164 V166 M176 N177 I178	R164-R174 VanDerWaalsContact O-CD 3.22Å; R164-R174 WeakPolarHBondContact O-CD 3.07Å; R164-R174 PolarHBondContact O-NE 3.08Å; V166-R174 WeakPolarHBondContact O-CA 3.43Å; R174-M176 VanDerWaalsContact C-N 3.29Å; R174-M176 PolarHBondContact O-N 3.3Å; R174-N177 HydrophobicContact CB-CB 4.2Å; R174-N177 WeakPolarHBondContact O-CA 3.2Å; R174-N177 VanDerWaalsContact O-CB 3.23Å; R174-N177 WeakPolarHBondContact O-CB 3.44Å; R174-N177 PolarHBondContact O-N 3.28Å; R174-I178 PolarHBondContact O-N 3.39Å
175	V	90.5	Very high	83.8	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-55.8	-43.8	178.7	171.7	0	0	0	0	111.6	Y102 F103 V166 D168 Q173 N177 I178 M179	Y102-V175 VanDerWaalsContact CB-CG1 3.47Å; Y102-V175 HydrophobicContact CD1-CB 4.47Å; Y102-V175 HydrophobicContact CD1-CG1 4.01Å; Y102-V175 HydrophobicContact CD1-CG2 3.77Å; Y102-V175 HydrophobicContact CD2-CG1 4.45Å; Y102-V175 HydrophobicContact CG-CG1 3.76Å; Y102-V175 HydrophobicContact CG-CG2 4.24Å; F103-V175 HydrophobicContact CD1-CB 4.4Å; F103-V175 HydrophobicContact CD1-CG1 4Å; F103-V175 HydrophobicContact CE1-CB 3.76Å; F103-V175 HydrophobicContact CE1-CG1 3.32Å; F103-V175 HydrophobicContact CE2-CG1 4.25Å; F103-V175 HydrophobicContact CZ-CB 4.33Å; F103-V175 HydrophobicContact CZ-CG1 3.47Å; F103-V175 VanDerWaalsContact CZ-CG1 3.47Å; V166-V175 HydrophobicContact CB-CG2 4.41Å; V166-V175 HydrophobicContact CG1-CB 4.48Å; V166-V175 HydrophobicContact CG1-CG2 3.89Å; V166-V175 PolarHBondContact O-N 3.39Å; D168-V175 HydrophobicContact CB-CG2 4.46Å; Q173-V175 PolarHBondContact O-N 3.32Å; V175-N177 PolarHBondContact O-N 3.39Å; V175-I178 WeakPolarHBondContact O-CB 3.5Å; V175-I178 PolarHBondContact O-N 3.21Å; V175-M179 HydrophobicContact CG1-CE 3.65Å; V175-M179 HydrophobicContact CG1-CG 4.14Å; V175-M179 HydrophobicContact CG1-SD 3.95Å; V175-M179 PolarHBondContact O-N 2.63Å
176	M	87.4	Confident	81.8	Confident	22 Å²	22	71.3 Å²	71.3	11%	0.108	37%	0.372	C	S	.	.	H	α-helix	trans	-57.8	-33	177.1	-70.4	-57.6	-61.5	0	0	112.2	F103 F160 C163 R174 C180	F103-M176 HydrophobicContact CE1-SD 4.29Å; F103-M176 HydrophobicContact CZ-SD 3.73Å; F160-M176 HydrophobicContact CD2-CE 4.46Å; C163-M176 HydrophobicContact CB-CG 3.84Å; C163-M176 HydrophobicContact CB-SD 3.81Å; R174-M176 VanDerWaalsContact C-N 3.29Å; R174-M176 PolarHBondContact O-N 3.3Å; M176-C180 VanDerWaalsContact O-CB 3.3Å; M176-C180 WeakPolarHBondContact O-CB 3.45Å; M176-C180 PolarHBondContact O-N 2.04Å; M176-C180 PolarHBondContact O-SG 3.49Å
177	N	86.4	Confident	79.4	Confident	42 Å²	42	80.4 Å²	80.4	23%	0.225	41%	0.411	C	S	.	.	H	α-helix	trans	-70.1	-39.4	176.8	-160.1	34.7	0	0	0	111.8	R174 V175 R181 G182 L185	R174-N177 HydrophobicContact CB-CB 4.2Å; R174-N177 WeakPolarHBondContact O-CA 3.2Å; R174-N177 VanDerWaalsContact O-CB 3.23Å; R174-N177 WeakPolarHBondContact O-CB 3.44Å; R174-N177 PolarHBondContact O-N 3.28Å; V175-N177 PolarHBondContact O-N 3.39Å; N177-R181 PolarHBondContact O-N 2.77Å; N177-G182 PolarHBondContact O-N 3.01Å; N177-G182 WeakPolarHBondContact OD1-CA 3.28Å; N177-L185 HydrophobicContact CB-CD1 4.34Å
178	I	87.6	Confident	76.7	Confident	50 Å²	50	83.6 Å²	83.6	26%	0.256	43%	0.425	S	S	.	.	H	α-helix	trans	-63.8	-52.6	176.1	-59.7	171.9	0	0	0	109.9	Y102 D168 Q173 R174 V175 C180 R181	Y102-I178 HydrophobicContact CE1-CD1 4.3Å; D168-I178 HydrophobicContact CB-CD1 3.86Å; Q173-I178 HydrophobicContact CB-CD1 4.22Å; Q173-I178 HydrophobicContact CB-CG1 4.29Å; R174-I178 PolarHBondContact O-N 3.39Å; V175-I178 WeakPolarHBondContact O-CB 3.5Å; V175-I178 PolarHBondContact O-N 3.21Å; I178-C180 VanDerWaalsContact C-N 3.33Å; I178-C180 PolarHBondContact O-N 3.24Å; I178-R181 PolarHBondContact O-N 2.99Å; I178-R181 VanDerWaalsContact O-N 3.12Å
179	M	85.3	Confident	74.2	Confident	61 Å²	61	90.1 Å²	90.1	30%	0.3	47%	0.47	S	S	.	.	H	α-helix	trans	-62.2	-39.4	-177.5	-71.3	-174.2	174.8	0	0	112.6	P99 Y102 F103 V175 R181	P99-M179 HydrophobicContact CB-CE 4.33Å; P99-M179 HydrophobicContact CG-CE 4.49Å; Y102-M179 HydrophobicContact CD2-CE 3.55Å; Y102-M179 HydrophobicContact CE2-CE 4.43Å; Y102-M179 HydrophobicContact CG-CE 3.98Å; F103-M179 HydrophobicContact CD2-CE 4.13Å; F103-M179 HydrophobicContact CE2-CE 3.5Å; F103-M179 VanDerWaalsContact CE2-CE 3.5Å; F103-M179 HydrophobicContact CE2-SD 3.52Å; F103-M179 VanDerWaalsContact CE2-SD 3.52Å; F103-M179 HydrophobicContact CZ-CE 3.89Å; F103-M179 HydrophobicContact CZ-SD 3.59Å; F103-M179 VanDerWaalsContact CZ-SD 3.59Å; V175-M179 HydrophobicContact CG1-CE 3.65Å; V175-M179 HydrophobicContact CG1-CG 4.14Å; V175-M179 HydrophobicContact CG1-SD 3.95Å; V175-M179 PolarHBondContact O-N 2.63Å; M179-R181 VanDerWaalsContact C-N 3.27Å; M179-R181 PolarHBondContact O-N 3.17Å
180	C	83.5	Confident	73.6	Confident	33 Å²	33	90.4 Å²	90.4	22%	0.223	47%	0.466	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	10.8	179.3	-50.4	0	0	0	0	113.7	M176 I178 G182 K183 C184	M176-C180 VanDerWaalsContact O-CB 3.3Å; M176-C180 WeakPolarHBondContact O-CB 3.45Å; M176-C180 PolarHBondContact O-N 2.04Å; M176-C180 PolarHBondContact O-SG 3.49Å; I178-C180 VanDerWaalsContact C-N 3.33Å; I178-C180 PolarHBondContact O-N 3.24Å; C180-G182 PolarHBondContact O-N 2.9Å; C180-G182 VanDerWaalsContact O-N 3.16Å; C180-K183 WeakPolarHBondContact O-CB 3.46Å; C180-K183 PolarHBondContact O-N 2.98Å; C180-C184 HydrophobicContact CB-CB 3.44Å; C180-C184 VanDerWaalsContact CB-CB 3.44Å; C180-C184 WeakPolarHBondContact CB-SG 3.42Å; C180-C184 WeakPolarHBondContact SG-CB 3.47Å; C180-C184 CovalentContact SG-SG 2.01Å; C180-C184 PolarHBondContact SG-SG 3.34Å
181	R	82.2	Confident	72.7	Confident	227 Å²	227	89.9 Å²	89.9	86%	0.857	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	42.9	-178.8	-57.6	176.3	175.6	-101.7	1.6	112.9	N177 I178 M179	N177-R181 PolarHBondContact O-N 2.77Å; I178-R181 PolarHBondContact O-N 2.99Å; I178-R181 VanDerWaalsContact O-N 3.12Å; M179-R181 VanDerWaalsContact C-N 3.27Å; M179-R181 PolarHBondContact O-N 3.17Å
182	G	75	Confident	71.8	Confident	35 Å²	35	90.9 Å²	90.9	36%	0.361	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.1	-16.3	-178.8	0	0	0	0	0	116	N177 C180	N177-G182 PolarHBondContact O-N 3.01Å; N177-G182 WeakPolarHBondContact OD1-CA 3.28Å; C180-G182 PolarHBondContact O-N 2.9Å; C180-G182 VanDerWaalsContact O-N 3.16Å
183	K	71.1	Confident	70.9	Confident	144 Å²	144	89.5 Å²	89.5	63%	0.626	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-86.7	-20	-165.2	-61.4	-173.5	177.5	-174.7	0	115.4	C180 L185 T186	C180-K183 WeakPolarHBondContact O-CB 3.46Å; C180-K183 PolarHBondContact O-N 2.98Å; K183-L185 PolarHBondContact O-N 3.33Å; K183-T186 PolarHBondContact O-N 3.48Å; K183-T186 VanDerWaalsContact O-N 3.15Å; K183-T186 PolarHBondContact O-OG1 3.04Å
184	C	61.9	Low	69.7	Low	19 Å²	19	88.9 Å²	88.9	13%	0.128	44%	0.444	C	S	.	.	G	3₁₀ helix	trans	-71.6	-13.1	-178	-83.6	0	0	0	0	114.5	C180	C180-C184 HydrophobicContact CB-CB 3.44Å; C180-C184 VanDerWaalsContact CB-CB 3.44Å; C180-C184 WeakPolarHBondContact CB-SG 3.42Å; C180-C184 WeakPolarHBondContact SG-CB 3.47Å; C180-C184 CovalentContact SG-SG 2.01Å; C180-C184 PolarHBondContact SG-SG 3.34Å
185	L	54.7	Low	68.3	Low	81 Å²	81	88.3 Å²	88.3	42%	0.424	45%	0.449	S	S	.	.	G	3₁₀ helix	trans	-96.3	-6.4	174	-62.7	177.1	0	0	0	112.8	N177 K183	N177-L185 HydrophobicContact CB-CD1 4.34Å; K183-L185 PolarHBondContact O-N 3.33Å
186	T	47.9	Very low	66.8	Low	83 Å²	83	94.6 Å²	94.6	51%	0.509	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	68.1	177.1	55.7	0	0	0	0	109.6	K183 H188	K183-T186 PolarHBondContact O-N 3.48Å; K183-T186 VanDerWaalsContact O-N 3.15Å; K183-T186 PolarHBondContact O-OG1 3.04Å; T186-H188 PolarHBondContact O-N 3.36Å
187	F	41	Very low	65.2	Low	206 Å²	206	100.2 Å²	100.2	90%	0.904	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	33.9	13.1	163.1	-75.4	-79.4	0	0	0	121.6
188	H	33.9	Very low	63.4	Low	165 Å²	165	105 Å²	105	76%	0.764	53%	0.534	S	S	*	.			trans	-121.5	72.1	-179.7	-65.7	-52	0	0	0	108.2	T186	T186-H188 PolarHBondContact O-N 3.36Å
189	C	37.1	Very low	61.2	Low	156 Å²	156	110 Å²	110	100%	1.054	56%	0.559	S	S	*	*			trans	-100.7	0	147.3	-82.2	0	0	0	0	107.2

Retrieved 189 of 189 residues in 185.7 ms (Link to these results)

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