A0A077Z899_TRITR Loading...

Deoxyribonuclease II family protein

AlphaFold DB , UniProt , Accession A0A077Z899, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 154 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	40.8	Very low	49.6	Very low	241 Å²	241	147.3 Å²	147.3	100%	1.187	72%	0.717	S	S	*	*				0	115.4	0	-73.6	157.1	61	0	0	107.6	Q3	M1-Q3 PolarHBondContact O-N 3.3Å
2	K	42.5	Very low	50.3	Low	203 Å²	203	141.3 Å²	141.3	88%	0.883	70%	0.701	S	S	*	*			trans	-73.8	113.5	175.5	-83	-179.2	172.7	179.7	0	107.8	V4	K2-V4 PolarHBondContact O-N 2.77Å; K2-V4 VanDerWaalsContact O-N 3.09Å
3	Q	45.7	Very low	50.7	Low	181 Å²	181	137.3 Å²	137.3	85%	0.846	69%	0.689	S	S	*	*			trans	-66.4	104.9	168.8	-156	-180	7.4	0	0	105.9	M1	M1-Q3 PolarHBondContact O-N 3.3Å
4	V	47.3	Very low	51.2	Low	102 Å²	102	131.1 Å²	131.1	62%	0.618	67%	0.67	S	S	*	*			trans	-83.2	116.1	177.1	176	0	0	0	0	106.3	K2 Y6	K2-V4 PolarHBondContact O-N 2.77Å; K2-V4 VanDerWaalsContact O-N 3.09Å; V4-Y6 VanDerWaalsContact C-N 3.34Å; V4-Y6 VanDerWaalsContact O-CD2 3.25Å; V4-Y6 WeakPolarHBondContact O-CD2 3.32Å; V4-Y6 PolarHBondContact O-N 2.94Å
5	D	47.9	Very low	51.6	Low	114 Å²	114	129.1 Å²	129.1	61%	0.61	66%	0.661	S	S	*	*			trans	-64.5	86.7	-177.4	-63.7	-53.1	0	0	0	111.6	I7 L8	D5-I7 PolarHBondContact O-N 3.03Å; D5-L8 PolarHBondContact O-N 3.17Å
6	Y	52	Low	52	Low	184 Å²	184	127.8 Å²	127.8	72%	0.722	66%	0.655	S	S	*	*	H	α-helix	trans	-64	-21.3	172	-84.8	-88.4	0	0	0	112.6	V4 L8 R9 G10	V4-Y6 VanDerWaalsContact C-N 3.34Å; V4-Y6 VanDerWaalsContact O-CD2 3.25Å; V4-Y6 WeakPolarHBondContact O-CD2 3.32Å; V4-Y6 PolarHBondContact O-N 2.94Å; Y6-L8 PolarHBondContact O-N 3.39Å; Y6-R9 PolarHBondContact O-N 3.03Å; Y6-G10 PolarHBondContact O-N 3.41Å
7	I	53.3	Low	52	Low	134 Å²	134	124.5 Å²	124.5	69%	0.687	65%	0.645	S	S	*	*	H	α-helix	trans	-67.6	-36.5	-178.2	-57.9	178.2	0	0	0	111	D5 R9 G10 I11	D5-I7 PolarHBondContact O-N 3.03Å; I7-R9 VanDerWaalsContact C-N 3.34Å; I7-R9 PolarHBondContact O-N 2.7Å; I7-G10 PolarHBondContact O-N 3.17Å; I7-I11 HydrophobicContact CG2-CD1 4.04Å; I7-I11 WeakPolarHBondContact O-CG1 3.48Å; I7-I11 PolarHBondContact O-N 2.87Å
8	L	52.8	Low	52.3	Low	128 Å²	128	123.6 Å²	123.6	67%	0.67	64%	0.64	S	S	*	*	H	α-helix	trans	-70.8	-30.3	-177.1	-154.8	74.2	0	0	0	112.6	D5 Y6 S12	D5-L8 PolarHBondContact O-N 3.17Å; Y6-L8 PolarHBondContact O-N 3.39Å; L8-S12 PolarHBondContact O-N 3.49Å
9	R	52.9	Low	52.5	Low	197 Å²	197	123.1 Å²	123.1	74%	0.743	64%	0.637	S	S	*	*	H	α-helix	trans	-73.1	-38.1	177.9	-83.6	-177.1	162.9	-172.4	-5.9	112.9	Y6 I7 S12 T13	Y6-R9 PolarHBondContact O-N 3.03Å; I7-R9 VanDerWaalsContact C-N 3.34Å; I7-R9 PolarHBondContact O-N 2.7Å; R9-S12 PolarHBondContact O-N 3.45Å; R9-T13 PolarHBondContact O-N 3.4Å; R9-T13 PolarHBondContact O-OG1 3.44Å
10	G	51.9	Low	52.5	Low	43 Å²	43	122.2 Å²	122.2	44%	0.443	63%	0.632	S	S	.	*	H	α-helix	trans	-66.8	-37.5	179.7	0	0	0	0	0	113.2	Y6 I7 T13 A14	Y6-G10 PolarHBondContact O-N 3.41Å; I7-G10 PolarHBondContact O-N 3.17Å; G10-T13 PolarHBondContact O-N 2.98Å; G10-A14 PolarHBondContact O-N 2.89Å
11	I	58.1	Low	52.4	Low	93 Å²	93	123.1 Å²	123.1	48%	0.477	64%	0.638	S	S	.	*	H	α-helix	trans	-69.8	-38.1	179.2	-56.6	165.6	0	0	0	110.8	I7 T13 A14 L15	I7-I11 HydrophobicContact CG2-CD1 4.04Å; I7-I11 WeakPolarHBondContact O-CG1 3.48Å; I7-I11 PolarHBondContact O-N 2.87Å; I11-T13 VanDerWaalsContact C-N 3.35Å; I11-T13 PolarHBondContact O-N 2.92Å; I11-A14 PolarHBondContact O-N 2.86Å; I11-L15 HydrophobicContact CG2-CD1 4.13Å; I11-L15 PolarHBondContact O-N 3.27Å
12	S	58	Low	52.8	Low	75 Å²	75	115.5 Å²	115.5	52%	0.524	61%	0.608	S	S	.	*	H	α-helix	trans	-63.1	-37.3	175.6	-88.9	0	0	0	0	113.2	L8 R9 L16	L8-S12 PolarHBondContact O-N 3.49Å; R9-S12 PolarHBondContact O-N 3.45Å; S12-L16 PolarHBondContact O-N 2.82Å
13	T	56.6	Low	53.1	Low	90 Å²	90	113.3 Å²	113.3	55%	0.552	60%	0.601	S	S	*	*	H	α-helix	trans	-73.8	-37.2	179.1	-2	0	0	0	0	111.9	R9 G10 I11 L16 C17	R9-T13 PolarHBondContact O-N 3.4Å; R9-T13 PolarHBondContact O-OG1 3.44Å; G10-T13 PolarHBondContact O-N 2.98Å; I11-T13 VanDerWaalsContact C-N 3.35Å; I11-T13 PolarHBondContact O-N 2.92Å; T13-L16 PolarHBondContact O-N 3.28Å; T13-C17 PolarHBondContact O-N 3.45Å; T13-C17 VanDerWaalsContact O-N 3.08Å
14	A	57.6	Low	53.2	Low	51 Å²	51	109.4 Å²	109.4	42%	0.421	59%	0.593	S	S	.	*	H	α-helix	trans	-65.3	-41.7	175.7	0	0	0	0	0	112.3	G10 I11 L16 C17 I18	G10-A14 PolarHBondContact O-N 2.89Å; I11-A14 PolarHBondContact O-N 2.86Å; A14-L16 VanDerWaalsContact C-N 3.35Å; A14-L16 PolarHBondContact O-N 3.33Å; A14-C17 PolarHBondContact O-N 3.24Å; A14-I18 WeakPolarHBondContact O-CG1 3.4Å; A14-I18 PolarHBondContact O-N 2.7Å
15	L	56.6	Low	53.6	Low	100 Å²	100	108.2 Å²	108.2	52%	0.524	59%	0.593	S	S	.	*	H	α-helix	trans	-63	-40.3	175.7	-113.7	95.6	0	0	0	112.2	I11 C17 I18 I19	I11-L15 HydrophobicContact CG2-CD1 4.13Å; I11-L15 PolarHBondContact O-N 3.27Å; L15-C17 VanDerWaalsContact C-N 3.35Å; L15-I18 PolarHBondContact O-N 3.31Å; L15-I19 VanDerWaalsContact O-CG1 3.24Å; L15-I19 WeakPolarHBondContact O-CG1 3.48Å; L15-I19 PolarHBondContact O-N 2.65Å
16	L	57.4	Low	54.6	Low	109 Å²	109	111.5 Å²	111.5	57%	0.571	61%	0.605	S	S	*	*	H	α-helix	trans	-63.7	-39	175.6	-104.2	136.8	0	0	0	112.1	S12 T13 A14 I19 L20	S12-L16 PolarHBondContact O-N 2.82Å; T13-L16 PolarHBondContact O-N 3.28Å; A14-L16 VanDerWaalsContact C-N 3.35Å; A14-L16 PolarHBondContact O-N 3.33Å; L16-I19 PolarHBondContact O-N 3.3Å; L16-L20 VanDerWaalsContact O-CB 3.3Å; L16-L20 WeakPolarHBondContact O-CB 3.34Å; L16-L20 WeakPolarHBondContact O-CD1 3.38Å; L16-L20 VanDerWaalsContact O-CG 3.26Å; L16-L20 WeakPolarHBondContact O-CG 2.99Å; L16-L20 PolarHBondContact O-N 3.46Å
17	C	52.3	Low	56.1	Low	71 Å²	71	105.1 Å²	105.1	48%	0.48	59%	0.59	S	S	.	*	H	α-helix	trans	-66.5	-37.4	172.5	-77.2	0	0	0	0	112.9	T13 A14 L15 L20 L21	T13-C17 PolarHBondContact O-N 3.45Å; T13-C17 VanDerWaalsContact O-N 3.08Å; A14-C17 PolarHBondContact O-N 3.24Å; L15-C17 VanDerWaalsContact C-N 3.35Å; C17-L20 PolarHBondContact O-N 3.31Å; C17-L21 WeakPolarHBondContact O-CB 3.4Å; C17-L21 WeakPolarHBondContact O-CG 3.45Å; C17-L21 PolarHBondContact O-N 2.8Å
18	I	57.1	Low	58	Low	108 Å²	108	100.6 Å²	100.6	55%	0.554	57%	0.569	S	S	*	*	H	α-helix	trans	-66.8	-40.5	175.9	-67.8	159.8	0	0	0	110.6	A14 L15 L20 L21 S22	A14-I18 WeakPolarHBondContact O-CG1 3.4Å; A14-I18 PolarHBondContact O-N 2.7Å; L15-I18 PolarHBondContact O-N 3.31Å; I18-L20 VanDerWaalsContact C-N 3.35Å; I18-L21 PolarHBondContact O-N 3.14Å; I18-S22 PolarHBondContact O-N 3.01Å; I18-S22 VanDerWaalsContact O-N 3.15Å; I18-S22 PolarHBondContact O-OG 2.03Å
19	I	57.6	Low	60	Low	115 Å²	115	99.8 Å²	99.8	59%	0.59	57%	0.565	S	S	*	*	H	α-helix	trans	-69.4	-33.4	176.1	-64.3	164.6	0	0	0	111.2	L15 L16 S22	L15-I19 VanDerWaalsContact O-CG1 3.24Å; L15-I19 WeakPolarHBondContact O-CG1 3.48Å; L15-I19 PolarHBondContact O-N 2.65Å; L16-I19 PolarHBondContact O-N 3.3Å; I19-S22 PolarHBondContact O-N 3.11Å
20	L	52.2	Low	62.1	Low	104 Å²	104	91.1 Å²	91.1	55%	0.545	53%	0.534	S	S	.	.	H	α-helix	trans	-76	-28.6	175.4	-76.5	162.5	0	0	0	113.5	L16 C17 I18 S22 Q23	L16-L20 VanDerWaalsContact O-CB 3.3Å; L16-L20 WeakPolarHBondContact O-CB 3.34Å; L16-L20 WeakPolarHBondContact O-CD1 3.38Å; L16-L20 VanDerWaalsContact O-CG 3.26Å; L16-L20 WeakPolarHBondContact O-CG 2.99Å; L16-L20 PolarHBondContact O-N 3.46Å; C17-L20 PolarHBondContact O-N 3.31Å; I18-L20 VanDerWaalsContact C-N 3.35Å; L20-S22 VanDerWaalsContact C-N 3.32Å; L20-Q23 WeakPolarHBondContact O-CG 3.47Å; L20-Q23 PolarHBondContact O-N 3.06Å
21	L	50.1	Low	64.3	Low	142 Å²	142	89.5 Å²	89.5	74%	0.743	52%	0.516	S	S	*	.	H	α-helix	trans	-77.2	-18.3	172.2	-76.4	165.3	0	0	0	112.8	C17 I18 Q23	C17-L21 WeakPolarHBondContact O-CB 3.4Å; C17-L21 WeakPolarHBondContact O-CG 3.45Å; C17-L21 PolarHBondContact O-N 2.8Å; I18-L21 PolarHBondContact O-N 3.14Å; L21-Q23 PolarHBondContact O-N 3.21Å
22	S	49.9	Very low	66.2	Low	82 Å²	82	90.5 Å²	90.5	57%	0.573	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	18.2	167.6	-68.2	0	0	0	0	113.7	I18 I19 L20 C24	I18-S22 PolarHBondContact O-N 3.01Å; I18-S22 VanDerWaalsContact O-N 3.15Å; I18-S22 PolarHBondContact O-OG 2.03Å; I19-S22 PolarHBondContact O-N 3.11Å; L20-S22 VanDerWaalsContact C-N 3.32Å; S22-C24 PolarHBondContact O-N 2.04Å
23	Q	47.2	Very low	68.1	Low	157 Å²	157	86.9 Å²	86.9	73%	0.734	49%	0.492	S	S	*	.			trans	-64.9	60.2	146.4	-64.5	178.2	19.9	0	0	108.7	L20 L21 A25	L20-Q23 WeakPolarHBondContact O-CG 3.47Å; L20-Q23 PolarHBondContact O-N 3.06Å; L21-Q23 PolarHBondContact O-N 3.21Å; Q23-A25 PolarHBondContact O-N 3.46Å
24	C	48	Very low	70.1	Confident	99 Å²	99	86.1 Å²	86.1	67%	0.669	48%	0.484	S	S	*	.			trans	-48.3	116.3	156.4	-68.6	0	0	0	0	104.2	S22 Q26	S22-C24 PolarHBondContact O-N 2.04Å; C24-Q26 VanDerWaalsContact C-N 3.3Å; C24-Q26 PolarHBondContact O-N 2.9Å
25	A	56.4	Low	72.1	Confident	76 Å²	76	85.2 Å²	85.2	63%	0.628	47%	0.472	S	S	*	.			trans	-47.3	105.6	170.9	0	0	0	0	0	106	Q23 A27	Q23-A25 PolarHBondContact O-N 3.46Å; A25-A27 PolarHBondContact O-N 3.46Å; A25-A27 VanDerWaalsContact O-N 3.09Å
26	Q	67.7	Low	74	Confident	184 Å²	184	84.8 Å²	84.8	86%	0.86	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-63.7	121.6	178.2	-79.3	-170.8	-52.3	0	0	104.6	C24 V28	C24-Q26 VanDerWaalsContact C-N 3.3Å; C24-Q26 PolarHBondContact O-N 2.9Å; Q26-V28 PolarHBondContact O-N 3.38Å
27	A	84.9	Confident	75.9	Confident	49 Å²	49	81.7 Å²	81.7	41%	0.405	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-47.3	137.1	176	0	0	0	0	0	108.8	A25 D29 E141	A25-A27 PolarHBondContact O-N 3.46Å; A25-A27 VanDerWaalsContact O-N 3.09Å; A27-D29 PolarHBondContact O-N 3.48Å; A27-E141 CarbonylContact C-O 3.49Å; A27-E141 VanDerWaalsContact CA-O 3.31Å; A27-E141 WeakPolarHBondContact CA-O 3.4Å; A27-E141 WeakPolarHBondContact CB-O 3.26Å
28	V	93.6	Very high	78.1	Confident	40 Å²	40	82.1 Å²	82.1	24%	0.242	45%	0.451	C	S	.	.	B	Isolated β-bridge	trans	-68.2	126.4	-175.4	176.7	0	0	0	0	108.3	Q26 C127 C140 E141 V142 S143	Q26-V28 PolarHBondContact O-N 3.38Å; V28-C127 HydrophobicContact CG1-CB 4.44Å; V28-C127 HydrophobicContact CG2-CB 4.08Å; V28-C140 VanDerWaalsContact CG2-O 3.23Å; V28-C140 WeakPolarHBondContact CG2-O 3.35Å; V28-E141 PolarHBondContact N-O 3.03Å; V28-V142 HydrophobicContact CB-CG2 4.44Å; V28-V142 CarbonylContact O-C 3.38Å; V28-V142 VanDerWaalsContact O-CA 3.27Å; V28-V142 WeakPolarHBondContact O-CA 3.3Å; V28-V142 WeakPolarHBondContact O-CG1 3.24Å; V28-S143 PolarHBondContact O-N 3.07Å
29	D	94.8	Very high	80	Confident	111 Å²	111	80 Å²	80	59%	0.594	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-60.8	140.5	177.2	-83.8	-31.4	0	0	0	111	A27 V31 Q133	A27-D29 PolarHBondContact O-N 3.48Å; D29-V31 PolarHBondContact O-N 3.26Å; D29-Q133 PolarHBondContact O-NE2 3.45Å
30	P	96.7	Very high	81.9	Confident	14 Å²	14	78.8 Å²	78.8	9%	0.091	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-57.1	138.6	172.2	-23.5	32.1	0	0	0	111.3	K32 F91 Y92 V142 S143	P30-K32 PolarHBondContact O-N 3.5Å; P30-F91 HydrophobicContact CB-CE1 3.76Å; P30-F91 HydrophobicContact CB-CZ 3.88Å; P30-F91 HydrophobicContact CG-CE1 4.06Å; P30-Y92 HydrophobicContact CG-CD1 3.93Å; P30-Y92 HydrophobicContact CG-CE1 3.66Å; P30-V142 HydrophobicContact CB-CG1 4.41Å; P30-V142 HydrophobicContact CG-CG1 4.19Å; P30-S143 VanDerWaalsContact CG-O 3.27Å; P30-S143 WeakPolarHBondContact CG-O 3.38Å
31	V	97.5	Very high	84.1	Confident	9 Å²	9	78.2 Å²	78.2	6%	0.055	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-58.3	135.9	172.6	-62.7	0	0	0	0	109.2	D29 Y36 R62 Y63 A128 P130 Q133	D29-V31 PolarHBondContact O-N 3.26Å; V31-Y36 HydrophobicContact CB-CE2 4.41Å; V31-Y36 WeakPolarHBondContact CB-OH 3.3Å; V31-Y36 HydrophobicContact CG2-CE2 4.32Å; V31-R62 VanDerWaalsContact CG2-NH1 3.34Å; V31-R62 PolarHBondContact O-NH1 3.03Å; V31-R62 VanDerWaalsContact O-NH1 3.12Å; V31-R62 PolarHBondContact O-NH2 2.73Å; V31-Y63 HydrophobicContact CG2-CD1 3.87Å; V31-Y63 HydrophobicContact CG2-CE1 4.25Å; V31-A128 VanDerWaalsContact CG1-O 3.23Å; V31-A128 WeakPolarHBondContact CG1-O 3.44Å; V31-P130 HydrophobicContact CG1-CG 4.26Å; V31-P130 HydrophobicContact CG2-CB 4.28Å; V31-P130 HydrophobicContact CG2-CG 4.45Å; V31-Q133 VanDerWaalsContact CG1-CD 3.41Å; V31-Q133 HydrophobicContact CG1-CG 4.03Å
32	K	98.2	Very high	86.4	Confident	114 Å²	114	71.5 Å²	71.5	50%	0.496	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-59.1	153.1	178.6	-63.7	-173.7	177.5	-176.7	0	110.8	P30 L34 Y36 N80	P30-K32 PolarHBondContact O-N 3.5Å; K32-L34 HydrophobicContact CB-CD1 4.09Å; K32-L34 HydrophobicContact CB-CG 4.04Å; K32-L34 PolarHBondContact O-N 3.48Å; K32-Y36 PolarHBondContact N-OH 2.93Å; K32-Y36 WeakPolarHBondContact O-CE2 3.26Å; K32-Y36 PolarHBondContact O-OH 3.43Å; K32-Y36 VanDerWaalsContact O-OH 3.05Å; K32-N80 WeakPolarHBondContact CD-O 3.14Å; K32-N80 WeakPolarHBondContact CE-O 3.35Å; K32-N80 WeakPolarHBondContact CG-O 3.44Å
33	C	98.3	Very high	88.7	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	40%	0.402	C	S	.	.	S	Bend	trans	-74	92.1	171.5	-170.7	0	0	0	0	109.7	C66 I77 G81 F83	C33-C66 WeakPolarHBondContact CA-SG 3.41Å; C33-C66 HydrophobicContact CB-CB 3.97Å; C33-C66 WeakPolarHBondContact CB-SG 3.26Å; C33-C66 WeakPolarHBondContact SG-CB 3.38Å; C33-C66 PolarHBondContact SG-O 3.47Å; C33-C66 VanDerWaalsContact SG-O 3.39Å; C33-C66 CovalentContact SG-SG 2.04Å; C33-C66 PolarHBondContact SG-SG 2.96Å; C33-I77 HydrophobicContact CB-CD1 4.04Å; C33-I77 HydrophobicContact CB-CG1 4.29Å; C33-I77 HydrophobicContact CB-CG2 4.28Å; C33-I77 WeakPolarHBondContact SG-CD1 3.44Å; C33-G81 VanDerWaalsContact CB-O 3.29Å; C33-G81 WeakPolarHBondContact CB-O 3.31Å; C33-G81 PolarHBondContact N-O 2.79Å; C33-F83 HydrophobicContact CB-CD1 3.77Å; C33-F83 HydrophobicContact CB-CE1 3.95Å
34	L	98.3	Very high	91.2	Very high	73 Å²	73	64.8 Å²	64.8	38%	0.382	39%	0.385	S	S	.	.			trans	-134.9	164.2	178.2	-63	174.8	0	0	0	109.7	K32 Y36 C66 W67	K32-L34 HydrophobicContact CB-CD1 4.09Å; K32-L34 HydrophobicContact CB-CG 4.04Å; K32-L34 PolarHBondContact O-N 3.48Å; L34-Y36 HydrophobicContact CB-CE2 4.08Å; L34-Y36 WeakPolarHBondContact O-CD2 3.19Å; L34-Y36 PolarHBondContact O-N 3.44Å; L34-C66 PolarHBondContact O-N 3.21Å; L34-W67 HydrophobicContact CD2-CE3 4.35Å
35	D	98.4	Very high	93.6	Very high	32 Å²	32	61.6 Å²	61.6	17%	0.171	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-83.3	107.4	163.6	-67.6	-14.8	0	0	0	108.4	V37 S39 Q64 C65 C66 W67 S68	D35-V37 VanDerWaalsContact C-N 3.27Å; D35-V37 WeakPolarHBondContact CB-O 3.32Å; D35-S39 WeakPolarHBondContact OD2-CB 3.46Å; D35-S39 PolarHBondContact OD2-OG 2.83Å; D35-Q64 CarbonylContact C-O 3.37Å; D35-Q64 WeakPolarHBondContact CA-O 3.07Å; D35-C65 VanDerWaalsContact OD1-CA 3.31Å; D35-C65 WeakPolarHBondContact OD1-CA 3.45Å; D35-C66 PolarHBondContact OD1-N 3.28Å; D35-W67 PolarHBondContact OD1-N 2.87Å; D35-W67 VanDerWaalsContact OD1-N 3.16Å; D35-S68 PolarHBondContact OD1-N 2.86Å; D35-S68 PolarHBondContact OD1-OG 2.89Å; D35-S68 PolarHBondContact OD2-OG 3.46Å
36	Y	98	Very high	95.6	Very high	92 Å²	92	58.4 Å²	58.4	36%	0.361	34%	0.335	S	S	.	.	S	Bend	trans	-84.9	-5.5	177.1	-69.9	-81.8	0	0	0	112.9	V31 K32 L34 Y63 Q64 P130	V31-Y36 HydrophobicContact CB-CE2 4.41Å; V31-Y36 WeakPolarHBondContact CB-OH 3.3Å; V31-Y36 HydrophobicContact CG2-CE2 4.32Å; K32-Y36 PolarHBondContact N-OH 2.93Å; K32-Y36 WeakPolarHBondContact O-CE2 3.26Å; K32-Y36 PolarHBondContact O-OH 3.43Å; K32-Y36 VanDerWaalsContact O-OH 3.05Å; L34-Y36 HydrophobicContact CB-CE2 4.08Å; L34-Y36 WeakPolarHBondContact O-CD2 3.19Å; L34-Y36 PolarHBondContact O-N 3.44Å; Y36-Y63 WeakPolarHBondContact CD2-O 3.41Å; Y36-Q64 PolarHBondContact N-O 3.23Å; Y36-P130 HydrophobicContact CD1-CG 3.47Å; Y36-P130 VanDerWaalsContact CD1-CG 3.47Å; Y36-P130 HydrophobicContact CD2-CB 4.21Å; Y36-P130 HydrophobicContact CD2-CG 3.56Å; Y36-P130 HydrophobicContact CE1-CG 3.64Å; Y36-P130 HydrophobicContact CE2-CB 4.45Å; Y36-P130 HydrophobicContact CE2-CG 3.73Å; Y36-P130 HydrophobicContact CG-CB 4.39Å; Y36-P130 HydrophobicContact CG-CG 3.43Å; Y36-P130 VanDerWaalsContact CG-CG 3.43Å
37	V	96.6	Very high	97	Very high	43 Å²	43	58.7 Å²	58.7	26%	0.261	33%	0.334	S	S	.	.	S	Bend	trans	-121.5	161	166.2	-57.3	0	0	0	0	108.3	D35 S39 C42 Q64 C65	D35-V37 VanDerWaalsContact C-N 3.27Å; D35-V37 WeakPolarHBondContact CB-O 3.32Å; V37-S39 PolarHBondContact O-N 3.39Å; V37-C42 WeakPolarHBondContact CG2-SG 3.25Å; V37-Q64 PolarHBondContact N-O 3.16Å; V37-C65 VanDerWaalsContact CG2-SG 3.51Å
38	P	98.3	Very high	97.7	Very high	81 Å²	81	60 Å²	60	53%	0.526	34%	0.344	S	S	.	.			trans	-52	131.7	179.4	-28.2	34	0	0	0	113	S40 I41 C42	P38-S40 PolarHBondContact O-N 3.48Å; P38-I41 HydrophobicContact CB-CD1 4.39Å; P38-I41 HydrophobicContact CB-CG1 4.3Å; P38-I41 HydrophobicContact CG-CD1 4.19Å; P38-I41 WeakPolarHBondContact O-CA 3.49Å; P38-I41 WeakPolarHBondContact O-CB 2.97Å; P38-I41 PolarHBondContact O-N 3.19Å; P38-C42 PolarHBondContact O-N 2.85Å
39	S	97.5	Very high	97.9	Very high	64 Å²	64	66.4 Å²	66.4	45%	0.448	37%	0.365	S	S	.	.	H	α-helix	trans	-58.5	-22.9	-178	-54.8	0	0	0	0	113.8	D35 V37 I41 C42 S43	D35-S39 WeakPolarHBondContact OD2-CB 3.46Å; D35-S39 PolarHBondContact OD2-OG 2.83Å; V37-S39 PolarHBondContact O-N 3.39Å; S39-I41 VanDerWaalsContact C-N 3.32Å; S39-C42 PolarHBondContact O-N 3.32Å; S39-S43 WeakPolarHBondContact O-CB 3.32Å; S39-S43 PolarHBondContact O-N 2.98Å; S39-S43 PolarHBondContact O-OG 3.08Å
40	S	98	Very high	98	Very high	89 Å²	89	62.7 Å²	62.7	62%	0.622	35%	0.353	S	S	*	.	H	α-helix	trans	-65.2	-34.6	171.4	55.7	0	0	0	0	112.7	P38 S43 G44	P38-S40 PolarHBondContact O-N 3.48Å; S40-S43 WeakPolarHBondContact CA-OG 3.46Å; S40-S43 PolarHBondContact O-OG 2.81Å; S40-G44 PolarHBondContact O-N 2.98Å
41	I	98.4	Very high	98	Very high	92 Å²	92	64.4 Å²	64.4	47%	0.472	36%	0.363	S	S	.	.	H	α-helix	trans	-71.3	-42.7	173.3	-59.9	-178.2	0	0	0	109.5	P38 S39 T45	P38-I41 HydrophobicContact CB-CD1 4.39Å; P38-I41 HydrophobicContact CB-CG1 4.3Å; P38-I41 HydrophobicContact CG-CD1 4.19Å; P38-I41 WeakPolarHBondContact O-CA 3.49Å; P38-I41 WeakPolarHBondContact O-CB 2.97Å; P38-I41 PolarHBondContact O-N 3.19Å; S39-I41 VanDerWaalsContact C-N 3.32Å; I41-T45 VanDerWaalsContact O-CB 3.26Å; I41-T45 WeakPolarHBondContact O-CB 3.14Å; I41-T45 PolarHBondContact O-N 3.14Å; I41-T45 PolarHBondContact O-OG1 3.19Å
42	C	98.7	Very high	98	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-60.3	-58.1	177.7	-63.4	0	0	0	0	111.9	V37 P38 S39 G44 T45 I46 C65 S68	V37-C42 WeakPolarHBondContact CG2-SG 3.25Å; P38-C42 PolarHBondContact O-N 2.85Å; S39-C42 PolarHBondContact O-N 3.32Å; C42-G44 VanDerWaalsContact C-N 3.34Å; C42-G44 PolarHBondContact O-N 2.96Å; C42-T45 PolarHBondContact O-N 2.96Å; C42-I46 WeakPolarHBondContact O-CG1 3.31Å; C42-I46 PolarHBondContact O-N 3.2Å; C42-C65 WeakPolarHBondContact CA-SG 3.48Å; C42-C65 HydrophobicContact CB-CB 3.55Å; C42-C65 WeakPolarHBondContact CB-SG 3.48Å; C42-C65 WeakPolarHBondContact SG-CA 3Å; C42-C65 WeakPolarHBondContact SG-CB 3.48Å; C42-C65 CovalentContact SG-SG 2.03Å; C42-C65 PolarHBondContact SG-SG 2.93Å; C42-S68 WeakPolarHBondContact CB-OG 2.99Å
43	S	98.1	Very high	98	Very high	60 Å²	60	67.4 Å²	67.4	42%	0.42	38%	0.377	S	S	.	.	H	α-helix	trans	-59.6	-41.1	177.4	55.2	0	0	0	0	112.7	S39 S40 T45 I46 K47	S39-S43 WeakPolarHBondContact O-CB 3.32Å; S39-S43 PolarHBondContact O-N 2.98Å; S39-S43 PolarHBondContact O-OG 3.08Å; S40-S43 WeakPolarHBondContact CA-OG 3.46Å; S40-S43 PolarHBondContact O-OG 2.81Å; S43-T45 PolarHBondContact O-N 3.44Å; S43-I46 PolarHBondContact O-N 3.01Å; S43-K47 VanDerWaalsContact O-CB 3.32Å; S43-K47 WeakPolarHBondContact O-CB 3.31Å; S43-K47 PolarHBondContact O-N 3.04Å
44	G	98.3	Very high	97.9	Very high	38 Å²	38	67.5 Å²	67.5	39%	0.392	38%	0.378	S	S	.	.	H	α-helix	trans	-60.6	-43.7	174.8	0	0	0	0	0	112.6	S40 C42 K47 A48	S40-G44 PolarHBondContact O-N 2.98Å; C42-G44 VanDerWaalsContact C-N 3.34Å; C42-G44 PolarHBondContact O-N 2.96Å; G44-K47 PolarHBondContact O-N 2.6Å; G44-A48 WeakPolarHBondContact O-CB 3.45Å; G44-A48 PolarHBondContact O-N 3.43Å
45	T	98.4	Very high	97.8	Very high	33 Å²	33	67.8 Å²	67.8	20%	0.202	37%	0.374	C	S	.	.	H	α-helix	trans	-67.5	-45.1	178	-57	0	0	0	0	111.1	I41 C42 S43 K47 A48 Y49 F60	I41-T45 VanDerWaalsContact O-CB 3.26Å; I41-T45 WeakPolarHBondContact O-CB 3.14Å; I41-T45 PolarHBondContact O-N 3.14Å; I41-T45 PolarHBondContact O-OG1 3.19Å; C42-T45 PolarHBondContact O-N 2.96Å; S43-T45 PolarHBondContact O-N 3.44Å; T45-K47 VanDerWaalsContact C-N 3.31Å; T45-K47 PolarHBondContact O-N 3Å; T45-A48 PolarHBondContact O-N 3.33Å; T45-Y49 HydrophobicContact CG2-CD2 3.61Å; T45-Y49 HydrophobicContact CG2-CE2 4.02Å; T45-Y49 VanDerWaalsContact O-CD2 3.31Å; T45-Y49 WeakPolarHBondContact O-CD2 3.45Å; T45-Y49 PolarHBondContact O-N 3.24Å; T45-F60 HydrophobicContact CG2-CD2 4.16Å; T45-F60 HydrophobicContact CG2-CE2 3.49Å; T45-F60 VanDerWaalsContact CG2-CE2 3.49Å; T45-F60 HydrophobicContact CG2-CZ 3.7Å
46	I	98.4	Very high	97.6	Very high	9 Å²	9	72.5 Å²	72.5	5%	0.046	40%	0.398	C	S	.	.	H	α-helix	trans	-58.9	-45.1	176	-67	165.6	0	0	0	110.3	C42 S43 A48 G50 V51 F60 E72	C42-I46 WeakPolarHBondContact O-CG1 3.31Å; C42-I46 PolarHBondContact O-N 3.2Å; S43-I46 PolarHBondContact O-N 3.01Å; I46-A48 VanDerWaalsContact C-N 3.32Å; I46-A48 PolarHBondContact O-N 2.83Å; I46-G50 CarbonylContact O-C 3.55Å; I46-G50 WeakPolarHBondContact O-CA 3.22Å; I46-G50 PolarHBondContact O-N 2.97Å; I46-V51 HydrophobicContact CG2-CB 4.49Å; I46-F60 HydrophobicContact CG1-CE1 3.88Å; I46-F60 HydrophobicContact CG1-CZ 3.84Å; I46-E72 HydrophobicContact CD1-CG 4.2Å; I46-E72 HydrophobicContact CG2-CG 4.21Å
47	K	98.2	Very high	97.5	Very high	190 Å²	190	69.5 Å²	69.5	83%	0.826	39%	0.388	S	S	*	.	H	α-helix	trans	-62.3	-37.5	177.6	-176.4	176.9	178.8	179.2	0	112.7	S43 G44 T45	S43-K47 VanDerWaalsContact O-CB 3.32Å; S43-K47 WeakPolarHBondContact O-CB 3.31Å; S43-K47 PolarHBondContact O-N 3.04Å; G44-K47 PolarHBondContact O-N 2.6Å; T45-K47 VanDerWaalsContact C-N 3.31Å; T45-K47 PolarHBondContact O-N 3Å
48	A	98.3	Very high	97.5	Very high	75 Å²	75	68.9 Å²	68.9	62%	0.62	38%	0.382	S	S	*	.	H	α-helix	trans	-76.8	-38.9	-178.3	0	0	0	0	0	113.4	G44 T45 I46	G44-A48 WeakPolarHBondContact O-CB 3.45Å; G44-A48 PolarHBondContact O-N 3.43Å; T45-A48 PolarHBondContact O-N 3.33Å; I46-A48 VanDerWaalsContact C-N 3.32Å; I46-A48 PolarHBondContact O-N 2.83Å
49	Y	97.8	Very high	97.4	Very high	175 Å²	175	66.9 Å²	66.9	69%	0.686	37%	0.365	S	S	*	.	H	α-helix	trans	-109.2	-4.8	-171.9	-61.6	-75.3	0	0	0	114.2	T45	T45-Y49 HydrophobicContact CG2-CD2 3.61Å; T45-Y49 HydrophobicContact CG2-CE2 4.02Å; T45-Y49 VanDerWaalsContact O-CD2 3.31Å; T45-Y49 WeakPolarHBondContact O-CD2 3.45Å; T45-Y49 PolarHBondContact O-N 3.24Å
50	G	98	Very high	97.4	Very high	33 Å²	33	64.3 Å²	64.3	34%	0.34	35%	0.346	S	S	.	.			trans	86.9	156.3	-177.6	0	0	0	0	0	113.6	I46 D52 R53	I46-G50 CarbonylContact O-C 3.55Å; I46-G50 WeakPolarHBondContact O-CA 3.22Å; I46-G50 PolarHBondContact O-N 2.97Å; G50-D52 PolarHBondContact O-N 3.03Å; G50-R53 VanDerWaalsContact O-CB 3.3Å; G50-R53 WeakPolarHBondContact O-CB 3.45Å; G50-R53 PolarHBondContact O-N 2.81Å; G50-R53 VanDerWaalsContact O-N 3.14Å
51	V	97.2	Very high	97.5	Very high	50 Å²	50	60 Å²	60	30%	0.303	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-28	-179.4	66.5	0	0	0	0	113.3	I46 R53 C54 E72 L73	I46-V51 HydrophobicContact CG2-CB 4.49Å; V51-R53 PolarHBondContact O-N 2.82Å; V51-R53 VanDerWaalsContact O-N 3.11Å; V51-C54 VanDerWaalsContact O-CB 3.25Å; V51-C54 WeakPolarHBondContact O-CB 3.02Å; V51-C54 PolarHBondContact O-N 3.3Å; V51-E72 HydrophobicContact CG2-CB 3.76Å; V51-L73 HydrophobicContact CG2-CD2 3.78Å; V51-L73 HydrophobicContact CG2-CG 4.41Å
52	D	97.4	Very high	97.4	Very high	91 Å²	91	55.8 Å²	55.8	49%	0.487	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-21.6	178.9	-71.9	-30.5	0	0	0	113.1	G50 C54 R55 I56	G50-D52 PolarHBondContact O-N 3.03Å; D52-C54 PolarHBondContact O-N 2.04Å; D52-R55 PolarHBondContact O-N 3.4Å; D52-R55 IonicContact OD1-NH1 3.24Å; D52-R55 PolarHBondContact OD1-NH1 2.97Å; D52-I56 HydrophobicContact CB-CD1 4.05Å; D52-I56 WeakPolarHBondContact O-CG1 3.27Å; D52-I56 PolarHBondContact O-N 3.28Å
53	R	96.6	Very high	97.4	Very high	96 Å²	96	55.9 Å²	55.9	36%	0.362	30%	0.295	S	S	.	.	H	α-helix	trans	-54.9	-35.1	172.3	-175.6	61.4	176.9	-165.3	1.1	112	G50 V51 R55 I56 D57 F60	G50-R53 VanDerWaalsContact O-CB 3.3Å; G50-R53 WeakPolarHBondContact O-CB 3.45Å; G50-R53 PolarHBondContact O-N 2.81Å; G50-R53 VanDerWaalsContact O-N 3.14Å; V51-R53 PolarHBondContact O-N 2.82Å; V51-R53 VanDerWaalsContact O-N 3.11Å; R53-R55 PolarHBondContact O-N 3.17Å; R53-I56 PolarHBondContact O-N 3.05Å; R53-D57 HydrophobicContact CG-CB 4.38Å; R53-D57 VanDerWaalsContact CZ-CB 3.45Å; R53-D57 IonicContact CZ-OD2 2.94Å; R53-D57 IonicContact NE-OD2 2.76Å; R53-D57 PolarHBondContact NE-OD2 3.12Å; R53-D57 VanDerWaalsContact NE-OD2 3.14Å; R53-D57 IonicContact NH2-OD2 3.64Å; R53-D57 PolarHBondContact NH2-OD2 2.81Å; R53-D57 PolarHBondContact O-N 3.34Å; R53-F60 HydrophobicContact CB-CD1 4.47Å; R53-F60 HydrophobicContact CG-CD1 3.67Å; R53-F60 HydrophobicContact CG-CE1 4.01Å; R53-F60 HydrophobicContact CG-CG 4.25Å
54	C	97.6	Very high	97.4	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.007	29%	0.287	C	S	.	.	H	α-helix	trans	-59	-27.9	178	-68.9	0	0	0	0	113.5	V51 D52 G61 C69 L73 F89	V51-C54 VanDerWaalsContact O-CB 3.25Å; V51-C54 WeakPolarHBondContact O-CB 3.02Å; V51-C54 PolarHBondContact O-N 3.3Å; D52-C54 PolarHBondContact O-N 2.04Å; C54-G61 WeakPolarHBondContact O-CA 3.45Å; C54-C69 VanDerWaalsContact CA-SG 3.55Å; C54-C69 HydrophobicContact CB-CB 3.57Å; C54-C69 WeakPolarHBondContact CB-SG 3.48Å; C54-C69 WeakPolarHBondContact SG-CA 3.4Å; C54-C69 WeakPolarHBondContact SG-CB 3.33Å; C54-C69 CovalentContact SG-SG 2.04Å; C54-C69 PolarHBondContact SG-SG 3.31Å; C54-L73 HydrophobicContact CB-CD1 3.99Å; C54-F89 HydrophobicContact CB-CE2 4.44Å; C54-F89 VanDerWaalsContact O-CD2 3.31Å; C54-F89 WeakPolarHBondContact O-CD2 3.36Å; C54-F89 VanDerWaalsContact O-CE2 3.3Å; C54-F89 WeakPolarHBondContact O-CE2 3.37Å
55	R	95.6	Very high	97.4	Very high	80 Å²	80	54 Å²	54	30%	0.302	27%	0.269	S	S	.	.	H	α-helix	trans	-98.1	-40.2	179.6	-58.7	172.5	-179	117.1	-5.2	112	D52 R53 L73 S87	D52-R55 PolarHBondContact O-N 3.4Å; D52-R55 IonicContact OD1-NH1 3.24Å; D52-R55 PolarHBondContact OD1-NH1 2.97Å; R53-R55 PolarHBondContact O-N 3.17Å; R55-L73 HydrophobicContact CG-CD1 4.43Å; R55-S87 VanDerWaalsContact CD-O 3.27Å; R55-S87 WeakPolarHBondContact CD-O 3.23Å; R55-S87 PolarHBondContact NE-O 3.29Å
56	I	94.8	Very high	97.4	Very high	131 Å²	131	52.4 Å²	52.4	67%	0.672	26%	0.259	S	S	*	.	H	α-helix	trans	-71.3	-46.6	-175	-66.8	169.3	0	0	0	110.7	D52 R53	D52-I56 HydrophobicContact CB-CD1 4.05Å; D52-I56 WeakPolarHBondContact O-CG1 3.27Å; D52-I56 PolarHBondContact O-N 3.28Å; R53-I56 PolarHBondContact O-N 3.05Å
57	D	96	Very high	97.4	Very high	29 Å²	29	58.7 Å²	58.7	16%	0.155	28%	0.283	C	S	.	.			trans	-99.6	91.1	175.6	-178.7	-1.8	0	0	0	109	R53 F59 F60 G61	R53-D57 HydrophobicContact CG-CB 4.38Å; R53-D57 VanDerWaalsContact CZ-CB 3.45Å; R53-D57 IonicContact CZ-OD2 2.94Å; R53-D57 IonicContact NE-OD2 2.76Å; R53-D57 PolarHBondContact NE-OD2 3.12Å; R53-D57 VanDerWaalsContact NE-OD2 3.14Å; R53-D57 IonicContact NH2-OD2 3.64Å; R53-D57 PolarHBondContact NH2-OD2 2.81Å; R53-D57 PolarHBondContact O-N 3.34Å; D57-F59 PolarHBondContact O-N 2.76Å; D57-F59 WeakPolarHBondContact OD1-CB 3.39Å; D57-F59 PolarHBondContact OD1-N 3.37Å; D57-F60 HydrophobicContact CB-CB 3.9Å; D57-F60 VanDerWaalsContact CG-CB 3.4Å; D57-F60 PolarHBondContact O-N 3.06Å; D57-F60 PolarHBondContact OD1-N 2.89Å; D57-F60 VanDerWaalsContact OD2-CB 3.23Å; D57-F60 WeakPolarHBondContact OD2-CB 3.36Å; D57-G61 PolarHBondContact O-N 3.37Å
58	E	95.4	Very high	97.4	Very high	29 Å²	29	50.3 Å²	50.3	14%	0.136	25%	0.248	C	C	.	.	H	α-helix	trans	-60.2	-32.6	179	-169.6	179.1	162.6	0	0	111.8	R62 Y63 R94 Y134	E58-R62 HydrophobicContact CG-CB 4.14Å; E58-R62 WeakPolarHBondContact O-CA 3.49Å; E58-R62 VanDerWaalsContact O-CB 3.29Å; E58-R62 WeakPolarHBondContact O-CB 3.3Å; E58-R62 PolarHBondContact O-N 3.08Å; E58-Y63 HydrophobicContact CG-CE2 4.16Å; E58-Y63 WeakPolarHBondContact O-CD2 3.31Å; E58-R94 IonicContact OE2-CZ 3.14Å; E58-R94 VanDerWaalsContact OE2-CZ 3.24Å; E58-R94 IonicContact OE2-NE 3.61Å; E58-R94 PolarHBondContact OE2-NE 2.8Å; E58-R94 IonicContact OE2-NH2 2.6Å; E58-R94 PolarHBondContact OE2-NH2 2.81Å; E58-Y134 HydrophobicContact CB-CE2 4.35Å
59	F	97	Very high	97.4	Very high	40 Å²	40	46.8 Å²	46.8	18%	0.175	22%	0.219	C	C	.	.	I	π-helix	trans	-64.3	-51.2	176.4	179.9	-125.5	0	0	0	110.7	D57 Y63 Q64 L131 Y134	D57-F59 PolarHBondContact O-N 2.76Å; D57-F59 WeakPolarHBondContact OD1-CB 3.39Å; D57-F59 PolarHBondContact OD1-N 3.37Å; F59-Y63 CarbonylContact O-C 3.52Å; F59-Y63 WeakPolarHBondContact O-CA 3.42Å; F59-Y63 WeakPolarHBondContact O-CB 2.97Å; F59-Y63 PolarHBondContact O-N 2.97Å; F59-Q64 HydrophobicContact CD1-CG 4.14Å; F59-Q64 HydrophobicContact CD2-CG 4.28Å; F59-Q64 HydrophobicContact CE1-CG 3.76Å; F59-Q64 HydrophobicContact CE2-CG 3.87Å; F59-Q64 HydrophobicContact CG-CG 4.39Å; F59-Q64 HydrophobicContact CZ-CG 3.59Å; F59-Q64 PolarHBondContact O-N 3.06Å; F59-L131 HydrophobicContact CE1-CD1 4.36Å; F59-L131 HydrophobicContact CE2-CB 4.22Å; F59-L131 HydrophobicContact CE2-CD1 3.79Å; F59-L131 HydrophobicContact CZ-CB 4.38Å; F59-L131 HydrophobicContact CZ-CD1 3.65Å; F59-Y134 HydrophobicContact CB-CD1 3.72Å; F59-Y134 HydrophobicContact CB-CD2 3.97Å; F59-Y134 HydrophobicContact CB-CE1 3.61Å; F59-Y134 HydrophobicContact CB-CE2 3.85Å; F59-Y134 HydrophobicContact CB-CG 3.91Å; F59-Y134 AromaticContact CD2-CD1 3.48Å; F59-Y134 HydrophobicContact CD2-CD1 3.48Å; F59-Y134 VanDerWaalsContact CD2-CD1 3.48Å; F59-Y134 HydrophobicContact CD2-CD2 4.37Å; F59-Y134 HydrophobicContact CD2-CE1 4.22Å; F59-Y134 AromaticContact CD2-CG 3.58Å; F59-Y134 HydrophobicContact CD2-CG 3.58Å; F59-Y134 HydrophobicContact CE2-CD1 4.33Å; F59-Y134 AromaticContact CG-CD1 3.72Å; F59-Y134 HydrophobicContact CG-CD1 3.72Å; F59-Y134 AromaticContact CG-CE1 3.98Å; F59-Y134 HydrophobicContact CG-CE1 3.98Å; F59-Y134 HydrophobicContact CG-CG 4.09Å
60	F	98.1	Very high	97.5	Very high	9 Å²	9	38.5 Å²	38.5	4%	0.039	19%	0.186	C	C	.	.	I	π-helix	trans	-57.9	-55.1	175.3	172.6	-99.7	0	0	0	111.2	T45 I46 R53 D57 Q64 C65	T45-F60 HydrophobicContact CG2-CD2 4.16Å; T45-F60 HydrophobicContact CG2-CE2 3.49Å; T45-F60 VanDerWaalsContact CG2-CE2 3.49Å; T45-F60 HydrophobicContact CG2-CZ 3.7Å; I46-F60 HydrophobicContact CG1-CE1 3.88Å; I46-F60 HydrophobicContact CG1-CZ 3.84Å; R53-F60 HydrophobicContact CB-CD1 4.47Å; R53-F60 HydrophobicContact CG-CD1 3.67Å; R53-F60 HydrophobicContact CG-CE1 4.01Å; R53-F60 HydrophobicContact CG-CG 4.25Å; D57-F60 HydrophobicContact CB-CB 3.9Å; D57-F60 VanDerWaalsContact CG-CB 3.4Å; D57-F60 PolarHBondContact O-N 3.06Å; D57-F60 PolarHBondContact OD1-N 2.89Å; D57-F60 VanDerWaalsContact OD2-CB 3.23Å; D57-F60 WeakPolarHBondContact OD2-CB 3.36Å; F60-Q64 PolarHBondContact O-N 3.29Å; F60-C65 HydrophobicContact CD2-CB 4.38Å; F60-C65 HydrophobicContact CE1-CB 4.38Å; F60-C65 HydrophobicContact CE2-CB 3.94Å; F60-C65 WeakPolarHBondContact CE2-SG 3.29Å; F60-C65 HydrophobicContact CZ-CB 3.94Å; F60-C65 WeakPolarHBondContact O-CB 3.32Å; F60-C65 PolarHBondContact O-N 2.97Å
61	G	98.1	Very high	97.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.197	C	C	.	.	I	π-helix	trans	-65.4	-57.9	-173.4	0	0	0	0	0	112.8	C54 D57 C65 C66	C54-G61 WeakPolarHBondContact O-CA 3.45Å; D57-G61 PolarHBondContact O-N 3.37Å; G61-C65 CarbonylContact O-C 3.58Å; G61-C66 WeakPolarHBondContact O-CA 3.41Å; G61-C66 PolarHBondContact O-N 2.75Å
62	R	97.8	Very high	97.4	Very high	3 Å²	3	43.6 Å²	43.6	1%	0.011	21%	0.21	C	C	.	.	I	π-helix	trans	-87.7	-29	-170.9	172.5	57.4	-175.6	81.7	-1	113.8	V31 E58 H90 F91	V31-R62 VanDerWaalsContact CG2-NH1 3.34Å; V31-R62 PolarHBondContact O-NH1 3.03Å; V31-R62 VanDerWaalsContact O-NH1 3.12Å; V31-R62 PolarHBondContact O-NH2 2.73Å; E58-R62 HydrophobicContact CG-CB 4.14Å; E58-R62 WeakPolarHBondContact O-CA 3.49Å; E58-R62 VanDerWaalsContact O-CB 3.29Å; E58-R62 WeakPolarHBondContact O-CB 3.3Å; E58-R62 PolarHBondContact O-N 3.08Å; R62-H90 VanDerWaalsContact CD-O 3.29Å; R62-H90 WeakPolarHBondContact CD-O 3.04Å; R62-F91 VanDerWaalsContact CZ-O 3.22Å; R62-F91 PolarHBondContact NE-O 3.46Å; R62-F91 PolarHBondContact NH2-O 3.46Å
63	Y	98.3	Very high	97.4	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.008	19%	0.19	C	C	.	.	I	π-helix	trans	-116.3	-10.5	-169.2	-61.7	-87.1	0	0	0	114.3	V31 Y36 E58 F59 P130 Q133 Y134	V31-Y63 HydrophobicContact CG2-CD1 3.87Å; V31-Y63 HydrophobicContact CG2-CE1 4.25Å; Y36-Y63 WeakPolarHBondContact CD2-O 3.41Å; E58-Y63 HydrophobicContact CG-CE2 4.16Å; E58-Y63 WeakPolarHBondContact O-CD2 3.31Å; F59-Y63 CarbonylContact O-C 3.52Å; F59-Y63 WeakPolarHBondContact O-CA 3.42Å; F59-Y63 WeakPolarHBondContact O-CB 2.97Å; F59-Y63 PolarHBondContact O-N 2.97Å; Y63-P130 HydrophobicContact CD1-CB 4.39Å; Y63-P130 WeakPolarHBondContact CD1-O 3.16Å; Y63-P130 WeakPolarHBondContact O-CB 3.33Å; Y63-Q133 HydrophobicContact CD1-CB 4.21Å; Y63-Q133 HydrophobicContact CE1-CB 3.73Å; Y63-Y134 AromaticContact CD2-CD2 3.78Å; Y63-Y134 HydrophobicContact CD2-CD2 3.78Å; Y63-Y134 HydrophobicContact CD2-CG 4.11Å; Y63-Y134 AromaticContact CE2-CD2 3.81Å; Y63-Y134 HydrophobicContact CE2-CD2 3.81Å; Y63-Y134 HydrophobicContact CE2-CG 4.38Å
64	Q	98.3	Very high	97.4	Very high	57 Å²	57	40.7 Å²	40.7	27%	0.266	20%	0.202	S	C	.	.	I	π-helix	trans	-117.2	-44.2	175.2	-62.7	-172	-55	0	0	113.5	D35 Y36 V37 F59 F60	D35-Q64 CarbonylContact C-O 3.37Å; D35-Q64 WeakPolarHBondContact CA-O 3.07Å; Y36-Q64 PolarHBondContact N-O 3.23Å; V37-Q64 PolarHBondContact N-O 3.16Å; F59-Q64 HydrophobicContact CD1-CG 4.14Å; F59-Q64 HydrophobicContact CD2-CG 4.28Å; F59-Q64 HydrophobicContact CE1-CG 3.76Å; F59-Q64 HydrophobicContact CE2-CG 3.87Å; F59-Q64 HydrophobicContact CG-CG 4.39Å; F59-Q64 HydrophobicContact CZ-CG 3.59Å; F59-Q64 PolarHBondContact O-N 3.06Å; F60-Q64 PolarHBondContact O-N 3.29Å
65	C	98.6	Very high	97.3	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.007	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-130.9	40.4	-167.3	-72.9	0	0	0	0	112.1	D35 V37 C42 F60 G61 W67 S68 C69	D35-C65 VanDerWaalsContact OD1-CA 3.31Å; D35-C65 WeakPolarHBondContact OD1-CA 3.45Å; V37-C65 VanDerWaalsContact CG2-SG 3.51Å; C42-C65 WeakPolarHBondContact CA-SG 3.48Å; C42-C65 HydrophobicContact CB-CB 3.55Å; C42-C65 WeakPolarHBondContact CB-SG 3.48Å; C42-C65 WeakPolarHBondContact SG-CA 3Å; C42-C65 WeakPolarHBondContact SG-CB 3.48Å; C42-C65 CovalentContact SG-SG 2.03Å; C42-C65 PolarHBondContact SG-SG 2.93Å; F60-C65 HydrophobicContact CD2-CB 4.38Å; F60-C65 HydrophobicContact CE1-CB 4.38Å; F60-C65 HydrophobicContact CE2-CB 3.94Å; F60-C65 WeakPolarHBondContact CE2-SG 3.29Å; F60-C65 HydrophobicContact CZ-CB 3.94Å; F60-C65 WeakPolarHBondContact O-CB 3.32Å; F60-C65 PolarHBondContact O-N 2.97Å; G61-C65 CarbonylContact O-C 3.58Å; C65-W67 PolarHBondContact O-N 3.17Å; C65-S68 PolarHBondContact O-N 3.13Å; C65-C69 VanDerWaalsContact O-CB 3.32Å; C65-C69 WeakPolarHBondContact O-CB 3.39Å; C65-C69 PolarHBondContact O-N 2.71Å
66	C	98.6	Very high	97.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64.6	-41.4	-168.8	-169.5	0	0	0	0	113.1	C33 L34 D35 G61 C69 A70 F83	C33-C66 WeakPolarHBondContact CA-SG 3.41Å; C33-C66 HydrophobicContact CB-CB 3.97Å; C33-C66 WeakPolarHBondContact CB-SG 3.26Å; C33-C66 WeakPolarHBondContact SG-CB 3.38Å; C33-C66 PolarHBondContact SG-O 3.47Å; C33-C66 VanDerWaalsContact SG-O 3.39Å; C33-C66 CovalentContact SG-SG 2.04Å; C33-C66 PolarHBondContact SG-SG 2.96Å; L34-C66 PolarHBondContact O-N 3.21Å; D35-C66 PolarHBondContact OD1-N 3.28Å; G61-C66 WeakPolarHBondContact O-CA 3.41Å; G61-C66 PolarHBondContact O-N 2.75Å; C66-C69 PolarHBondContact O-N 2.94Å; C66-A70 WeakPolarHBondContact O-CB 3.36Å; C66-A70 PolarHBondContact O-N 3.21Å; C66-F83 VanDerWaalsContact SG-CE1 3.55Å
67	W	98.3	Very high	97.5	Very high	140 Å²	140	39.8 Å²	39.8	53%	0.53	20%	0.204	S	C	.	.	H	α-helix	trans	-65.9	-48.2	-179.9	-175.2	-74.6	0	0	0	111.3	L34 D35 C65 C69 A70 A71 I77	L34-W67 HydrophobicContact CD2-CE3 4.35Å; D35-W67 PolarHBondContact OD1-N 2.87Å; D35-W67 VanDerWaalsContact OD1-N 3.16Å; C65-W67 PolarHBondContact O-N 3.17Å; W67-C69 PolarHBondContact O-N 2.76Å; W67-A70 PolarHBondContact O-N 3.37Å; W67-A71 PolarHBondContact O-N 3.5Å; W67-I77 HydrophobicContact CB-CD1 4.33Å; W67-I77 HydrophobicContact CD2-CD1 3.9Å; W67-I77 HydrophobicContact CE3-CD1 3.52Å; W67-I77 HydrophobicContact CG-CD1 4.28Å; W67-I77 HydrophobicContact CZ3-CB 4.39Å; W67-I77 HydrophobicContact CZ3-CD1 4.1Å; W67-I77 HydrophobicContact CZ3-CG2 4.32Å
68	S	98.5	Very high	97.6	Very high	15 Å²	15	41.9 Å²	41.9	11%	0.105	22%	0.215	C	C	.	.	H	α-helix	trans	-60.3	-44	177	-73.8	0	0	0	0	111.9	D35 C42 C65 A71 E72	D35-S68 PolarHBondContact OD1-N 2.86Å; D35-S68 PolarHBondContact OD1-OG 2.89Å; D35-S68 PolarHBondContact OD2-OG 3.46Å; C42-S68 WeakPolarHBondContact CB-OG 2.99Å; C65-S68 PolarHBondContact O-N 3.13Å; S68-A71 PolarHBondContact O-N 3.44Å; S68-E72 WeakPolarHBondContact O-CG 3.46Å; S68-E72 PolarHBondContact O-N 2.87Å
69	C	98.5	Very high	97.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-66.1	-41.9	176.6	-82.7	0	0	0	0	112.7	C54 C65 C66 W67 A71 E72 L73 F89	C54-C69 VanDerWaalsContact CA-SG 3.55Å; C54-C69 HydrophobicContact CB-CB 3.57Å; C54-C69 WeakPolarHBondContact CB-SG 3.48Å; C54-C69 WeakPolarHBondContact SG-CA 3.4Å; C54-C69 WeakPolarHBondContact SG-CB 3.33Å; C54-C69 CovalentContact SG-SG 2.04Å; C54-C69 PolarHBondContact SG-SG 3.31Å; C65-C69 VanDerWaalsContact O-CB 3.32Å; C65-C69 WeakPolarHBondContact O-CB 3.39Å; C65-C69 PolarHBondContact O-N 2.71Å; C66-C69 PolarHBondContact O-N 2.94Å; W67-C69 PolarHBondContact O-N 2.76Å; C69-A71 VanDerWaalsContact C-N 3.29Å; C69-A71 PolarHBondContact O-N 2.02Å; C69-E72 PolarHBondContact O-N 3.39Å; C69-L73 VanDerWaalsContact O-CB 3.31Å; C69-L73 WeakPolarHBondContact O-CB 3.29Å; C69-L73 WeakPolarHBondContact O-CG 3.44Å; C69-L73 PolarHBondContact O-N 2.68Å; C69-F89 HydrophobicContact CB-CE2 4.03Å; C69-F89 HydrophobicContact CB-CZ 3.93Å
70	A	98	Very high	97.5	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.008	26%	0.264	C	S	.	.	H	α-helix	trans	-60.2	-39.9	177.3	0	0	0	0	0	111.9	C66 W67 L73 D74 I75 I77	C66-A70 WeakPolarHBondContact O-CB 3.36Å; C66-A70 PolarHBondContact O-N 3.21Å; W67-A70 PolarHBondContact O-N 3.37Å; A70-L73 CarbonylContact O-C 3.45Å; A70-L73 PolarHBondContact O-N 3.47Å; A70-D74 PolarHBondContact O-N 2.82Å; A70-D74 VanDerWaalsContact O-N 3.07Å; A70-I75 HydrophobicContact CB-CB 3.98Å; A70-I75 HydrophobicContact CB-CG2 4.25Å; A70-I75 PolarHBondContact O-N 3.2Å; A70-I77 HydrophobicContact CB-CD1 3.76Å; A70-I77 HydrophobicContact CB-CG1 4.03Å
71	A	97.1	Very high	97.5	Very high	69 Å²	69	47.7 Å²	47.7	57%	0.57	27%	0.266	S	S	*	.	H	α-helix	trans	-61.6	-47.2	176.3	0	0	0	0	0	112.5	W67 S68 C69 L73 D74	W67-A71 PolarHBondContact O-N 3.5Å; S68-A71 PolarHBondContact O-N 3.44Å; C69-A71 VanDerWaalsContact C-N 3.29Å; C69-A71 PolarHBondContact O-N 2.02Å; A71-L73 PolarHBondContact O-N 2.82Å; A71-D74 PolarHBondContact O-N 2.98Å
72	E	97.3	Very high	97.4	Very high	121 Å²	121	52.3 Å²	52.3	57%	0.565	28%	0.283	S	S	*	.	H	α-helix	trans	-67.1	-23.4	178	-65.5	-70.1	153.4	0	0	113	I46 V51 S68 C69	I46-E72 HydrophobicContact CD1-CG 4.2Å; I46-E72 HydrophobicContact CG2-CG 4.21Å; V51-E72 HydrophobicContact CG2-CB 3.76Å; S68-E72 WeakPolarHBondContact O-CG 3.46Å; S68-E72 PolarHBondContact O-N 2.87Å; C69-E72 PolarHBondContact O-N 3.39Å
73	L	96.8	Very high	97.4	Very high	14 Å²	14	53 Å²	53	7%	0.073	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	2	179.4	-65	-179.9	0	0	0	113.8	V51 C54 R55 C69 A70 A71 I75 F89	V51-L73 HydrophobicContact CG2-CD2 3.78Å; V51-L73 HydrophobicContact CG2-CG 4.41Å; C54-L73 HydrophobicContact CB-CD1 3.99Å; R55-L73 HydrophobicContact CG-CD1 4.43Å; C69-L73 VanDerWaalsContact O-CB 3.31Å; C69-L73 WeakPolarHBondContact O-CB 3.29Å; C69-L73 WeakPolarHBondContact O-CG 3.44Å; C69-L73 PolarHBondContact O-N 2.68Å; A70-L73 CarbonylContact O-C 3.45Å; A70-L73 PolarHBondContact O-N 3.47Å; A71-L73 PolarHBondContact O-N 2.82Å; L73-I75 VanDerWaalsContact C-N 3.33Å; L73-I75 HydrophobicContact CB-CD1 3.72Å; L73-I75 HydrophobicContact CB-CG1 3.91Å; L73-I75 HydrophobicContact CD1-CD1 4.09Å; L73-I75 PolarHBondContact O-N 3.1Å; L73-F89 HydrophobicContact CD1-CB 3.9Å; L73-F89 HydrophobicContact CD1-CD1 4.29Å; L73-F89 HydrophobicContact CD1-CD2 3.76Å; L73-F89 HydrophobicContact CD1-CE2 4.33Å; L73-F89 HydrophobicContact CD1-CG 3.74Å
74	D	96.1	Very high	97.1	Very high	113 Å²	113	56.8 Å²	56.8	60%	0.604	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	50.8	-175.2	-179	55.3	0	0	0	111.4	A70 A71 K86	A70-D74 PolarHBondContact O-N 2.82Å; A70-D74 VanDerWaalsContact O-N 3.07Å; A71-D74 PolarHBondContact O-N 2.98Å; D74-K86 PolarHBondContact O-NZ 3.03Å; D74-K86 IonicContact OD2-NZ 3.03Å; D74-K86 PolarHBondContact OD2-NZ 2.83Å
75	I	97.1	Very high	96.9	Very high	15 Å²	15	58.7 Å²	58.7	8%	0.077	33%	0.327	C	S	.	.			trans	-111.8	121.5	178.7	-65.1	175.2	0	0	0	108.5	A70 L73 F83 K86 F89	A70-I75 HydrophobicContact CB-CB 3.98Å; A70-I75 HydrophobicContact CB-CG2 4.25Å; A70-I75 PolarHBondContact O-N 3.2Å; L73-I75 VanDerWaalsContact C-N 3.33Å; L73-I75 HydrophobicContact CB-CD1 3.72Å; L73-I75 HydrophobicContact CB-CG1 3.91Å; L73-I75 HydrophobicContact CD1-CD1 4.09Å; L73-I75 PolarHBondContact O-N 3.1Å; I75-F83 HydrophobicContact CG2-CB 3.51Å; I75-F83 HydrophobicContact CG2-CD2 3.72Å; I75-F83 HydrophobicContact CG2-CG 3.71Å; I75-K86 HydrophobicContact CD1-CB 4.06Å; I75-K86 HydrophobicContact CG1-CB 4.04Å; I75-K86 HydrophobicContact CG1-CD 3.97Å; I75-F89 HydrophobicContact CD1-CB 3.82Å; I75-F89 HydrophobicContact CD1-CD1 3.49Å; I75-F89 VanDerWaalsContact CD1-CD1 3.49Å; I75-F89 HydrophobicContact CD1-CE1 4.39Å; I75-F89 HydrophobicContact CD1-CG 3.97Å
76	N	96.8	Very high	96.5	Very high	142 Å²	142	62.6 Å²	62.6	76%	0.759	34%	0.343	S	S	*	.			trans	-80.6	129.2	176.8	-68.6	-48.1	0	0	0	110.8	F83	N76-F83 WeakPolarHBondContact O-CB 3.37Å
77	I	97.4	Very high	95.9	Very high	36 Å²	36	66.6 Å²	66.6	19%	0.185	37%	0.371	C	S	.	.	B	Isolated β-bridge	trans	-98.7	130.8	173.8	-58.4	167.1	0	0	0	108.3	C33 W67 A70 R82	C33-I77 HydrophobicContact CB-CD1 4.04Å; C33-I77 HydrophobicContact CB-CG1 4.29Å; C33-I77 HydrophobicContact CB-CG2 4.28Å; C33-I77 WeakPolarHBondContact SG-CD1 3.44Å; W67-I77 HydrophobicContact CB-CD1 4.33Å; W67-I77 HydrophobicContact CD2-CD1 3.9Å; W67-I77 HydrophobicContact CE3-CD1 3.52Å; W67-I77 HydrophobicContact CG-CD1 4.28Å; W67-I77 HydrophobicContact CZ3-CB 4.39Å; W67-I77 HydrophobicContact CZ3-CD1 4.1Å; W67-I77 HydrophobicContact CZ3-CG2 4.32Å; A70-I77 HydrophobicContact CB-CD1 3.76Å; A70-I77 HydrophobicContact CB-CG1 4.03Å; I77-R82 CarbonylContact C-O 3.54Å; I77-R82 WeakPolarHBondContact CA-O 3.29Å
78	D	97.1	Very high	95.6	Very high	73 Å²	73	62 Å²	62	39%	0.39	37%	0.367	S	S	.	.			trans	-76.8	174.7	177.6	80	1.8	0	0	0	112.5	N80 G81 R82	D78-N80 PolarHBondContact O-N 3.4Å; D78-N80 VanDerWaalsContact O-N 3.08Å; D78-N80 VanDerWaalsContact OD1-CA 3.26Å; D78-N80 WeakPolarHBondContact OD1-CA 3.45Å; D78-N80 WeakPolarHBondContact OD1-CB 3.49Å; D78-N80 PolarHBondContact OD1-N 3.2Å; D78-G81 PolarHBondContact O-N 2.05Å; D78-G81 PolarHBondContact OD1-N 3.02Å; D78-R82 PolarHBondContact N-O 3.41Å; D78-R82 PolarHBondContact OD1-N 3.28Å
79	A	96	Very high	95.5	Very high	106 Å²	106	61.4 Å²	61.4	88%	0.876	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-17.5	178.6	0	0	0	0	0	114.1
80	N	95.2	Very high	95.4	Very high	86 Å²	86	63.9 Å²	63.9	46%	0.46	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-3.3	177.5	-59.7	-54.6	0	0	0	112.5	K32 D78 R82	K32-N80 WeakPolarHBondContact CD-O 3.14Å; K32-N80 WeakPolarHBondContact CE-O 3.35Å; K32-N80 WeakPolarHBondContact CG-O 3.44Å; D78-N80 PolarHBondContact O-N 3.4Å; D78-N80 VanDerWaalsContact O-N 3.08Å; D78-N80 VanDerWaalsContact OD1-CA 3.26Å; D78-N80 WeakPolarHBondContact OD1-CA 3.45Å; D78-N80 WeakPolarHBondContact OD1-CB 3.49Å; D78-N80 PolarHBondContact OD1-N 3.2Å; N80-R82 HydrophobicContact CB-CG 4.26Å
81	G	97.3	Very high	95.3	Very high	8 Å²	8	64 Å²	64	8%	0.082	38%	0.375	C	S	.	.	S	Bend	trans	79.8	24	-175	0	0	0	0	0	113.2	C33 D78 F91	C33-G81 VanDerWaalsContact CB-O 3.29Å; C33-G81 WeakPolarHBondContact CB-O 3.31Å; C33-G81 PolarHBondContact N-O 2.79Å; D78-G81 PolarHBondContact O-N 2.05Å; D78-G81 PolarHBondContact OD1-N 3.02Å; G81-F91 WeakPolarHBondContact O-CE2 3.02Å
82	R	97	Very high	95.2	Very high	96 Å²	96	63.4 Å²	63.4	36%	0.362	36%	0.358	S	S	.	.			trans	-106	158.1	177.4	-56	-176.3	173.5	126.5	-3.6	110.3	I77 D78 N80 F91	I77-R82 CarbonylContact C-O 3.54Å; I77-R82 WeakPolarHBondContact CA-O 3.29Å; D78-R82 PolarHBondContact N-O 3.41Å; D78-R82 PolarHBondContact OD1-N 3.28Å; N80-R82 HydrophobicContact CB-CG 4.26Å; R82-F91 HydrophobicContact CB-CE2 4.28Å; R82-F91 HydrophobicContact CB-CZ 4.22Å; R82-F91 HydrophobicContact CG-CE1 4.09Å; R82-F91 HydrophobicContact CG-CE2 4.21Å; R82-F91 HydrophobicContact CG-CZ 3.73Å
83	F	96.5	Very high	95.1	Very high	18 Å²	18	59.3 Å²	59.3	8%	0.079	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-142.5	155.3	174.5	61.5	-95.4	0	0	0	110.8	C33 C66 I75 N76 F89 H90 F91	C33-F83 HydrophobicContact CB-CD1 3.77Å; C33-F83 HydrophobicContact CB-CE1 3.95Å; C66-F83 VanDerWaalsContact SG-CE1 3.55Å; I75-F83 HydrophobicContact CG2-CB 3.51Å; I75-F83 HydrophobicContact CG2-CD2 3.72Å; I75-F83 HydrophobicContact CG2-CG 3.71Å; N76-F83 WeakPolarHBondContact O-CB 3.37Å; F83-F89 HydrophobicContact CD2-CD1 4.26Å; F83-F89 HydrophobicContact CE1-CD1 4.19Å; F83-F89 AromaticContact CE1-CE1 3.73Å; F83-F89 HydrophobicContact CE1-CE1 3.73Å; F83-F89 AromaticContact CE2-CD1 3.43Å; F83-F89 HydrophobicContact CE2-CD1 3.43Å; F83-F89 VanDerWaalsContact CE2-CD1 3.43Å; F83-F89 AromaticContact CE2-CE1 3.85Å; F83-F89 HydrophobicContact CE2-CE1 3.85Å; F83-F89 HydrophobicContact CE2-CG 4.44Å; F83-F89 AromaticContact CZ-CD1 3.38Å; F83-F89 HydrophobicContact CZ-CD1 3.38Å; F83-F89 AromaticContact CZ-CE1 3.32Å; F83-F89 HydrophobicContact CZ-CE1 3.32Å; F83-F89 HydrophobicContact CZ-CG 4.44Å; F83-F89 HydrophobicContact CZ-CZ 4.34Å; F83-H90 WeakPolarHBondContact CZ-O 3.1Å; F83-F91 HydrophobicContact CD1-CB 4.33Å; F83-F91 AromaticContact CD1-CD2 3.73Å; F83-F91 HydrophobicContact CD1-CD2 3.73Å; F83-F91 HydrophobicContact CD1-CG 4.47Å; F83-F91 HydrophobicContact CD2-CB 4.19Å; F83-F91 HydrophobicContact CE1-CB 3.99Å; F83-F91 AromaticContact CE1-CD2 3.57Å; F83-F91 HydrophobicContact CE1-CD2 3.57Å; F83-F91 HydrophobicContact CE1-CG 4.27Å; F83-F91 HydrophobicContact CE2-CB 3.83Å; F83-F91 HydrophobicContact CG-CB 4.42Å; F83-F91 HydrophobicContact CG-CD2 4.46Å; F83-F91 VanDerWaalsContact CZ-CA 3.5Å; F83-F91 HydrophobicContact CZ-CB 3.73Å; F83-F91 HydrophobicContact CZ-CD2 4.18Å; F83-F91 HydrophobicContact CZ-CG 4.48Å
84	A	93.6	Very high	94.9	Very high	81 Å²	81	66.1 Å²	66.1	67%	0.669	36%	0.364	S	S	*	.			trans	-77	133.1	171	0	0	0	0	0	110	K86	A84-K86 PolarHBondContact O-N 3.11Å
85	E	92.6	Very high	94.8	Very high	97 Å²	97	61.3 Å²	61.3	45%	0.453	34%	0.34	S	S	.	.			trans	-60.3	133.1	-178.3	-52.5	-162.2	152.7	0	0	111.3	F89 H90 F91 Y92	E85-F89 WeakPolarHBondContact CA-O 3.29Å; E85-H90 VanDerWaalsContact CD-ND1 3.33Å; E85-H90 WeakPolarHBondContact OE1-CB 3.47Å; E85-H90 IonicContact OE1-CG 2.96Å; E85-H90 IonicContact OE1-ND1 2.71Å; E85-H90 IonicContact OE2-CE1 3.94Å; E85-H90 IonicContact OE2-CG 3.09Å; E85-H90 IonicContact OE2-ND1 3.79Å; E85-H90 PolarHBondContact OE2-ND1 3.36Å; E85-F91 PolarHBondContact OE1-N 3.1Å; E85-Y92 PolarHBondContact OE1-N 2.91Å
86	K	91.8	Very high	94.7	Very high	83 Å²	83	62.1 Å²	62.1	36%	0.361	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-145	130.7	-176.1	-172	-178.6	178	-173.3	0	109.7	D74 I75 A84 G88 F89	D74-K86 PolarHBondContact O-NZ 3.03Å; D74-K86 IonicContact OD2-NZ 3.03Å; D74-K86 PolarHBondContact OD2-NZ 2.83Å; I75-K86 HydrophobicContact CD1-CB 4.06Å; I75-K86 HydrophobicContact CG1-CB 4.04Å; I75-K86 HydrophobicContact CG1-CD 3.97Å; A84-K86 PolarHBondContact O-N 3.11Å; K86-G88 VanDerWaalsContact C-N 3.31Å; K86-G88 PolarHBondContact O-N 3.4Å; K86-G88 VanDerWaalsContact O-N 3.17Å; K86-F89 PolarHBondContact N-O 2.94Å; K86-F89 WeakPolarHBondContact O-CB 3.23Å; K86-F89 PolarHBondContact O-N 2.92Å
87	S	85.9	Confident	94.5	Very high	84 Å²	84	58.5 Å²	58.5	59%	0.587	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	43.4	170.1	-55.5	0	0	0	0	114.8	R55 F89	R55-S87 VanDerWaalsContact CD-O 3.27Å; R55-S87 WeakPolarHBondContact CD-O 3.23Å; R55-S87 PolarHBondContact NE-O 3.29Å; S87-F89 VanDerWaalsContact C-N 3.3Å; S87-F89 PolarHBondContact O-N 2.83Å
88	G	91.8	Very high	94.2	Very high	43 Å²	43	64.4 Å²	64.4	44%	0.443	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.3	8.3	179.1	0	0	0	0	0	115.3	K86 H90	K86-G88 VanDerWaalsContact C-N 3.31Å; K86-G88 PolarHBondContact O-N 3.4Å; K86-G88 VanDerWaalsContact O-N 3.17Å; G88-H90 PolarHBondContact O-CD2 2.98Å; G88-H90 VanDerWaalsContact O-CD2 3.29Å
89	F	95.9	Very high	94.1	Very high	3 Å²	3	65.2 Å²	65.2	1%	0.013	37%	0.368	C	S	.	.	B	Isolated β-bridge	trans	-96.9	110.3	168.6	-164	-108.5	0	0	0	108.7	C54 C69 L73 I75 F83 E85 K86 S87	C54-F89 HydrophobicContact CB-CE2 4.44Å; C54-F89 VanDerWaalsContact O-CD2 3.31Å; C54-F89 WeakPolarHBondContact O-CD2 3.36Å; C54-F89 VanDerWaalsContact O-CE2 3.3Å; C54-F89 WeakPolarHBondContact O-CE2 3.37Å; C69-F89 HydrophobicContact CB-CE2 4.03Å; C69-F89 HydrophobicContact CB-CZ 3.93Å; L73-F89 HydrophobicContact CD1-CB 3.9Å; L73-F89 HydrophobicContact CD1-CD1 4.29Å; L73-F89 HydrophobicContact CD1-CD2 3.76Å; L73-F89 HydrophobicContact CD1-CE2 4.33Å; L73-F89 HydrophobicContact CD1-CG 3.74Å; I75-F89 HydrophobicContact CD1-CB 3.82Å; I75-F89 HydrophobicContact CD1-CD1 3.49Å; I75-F89 VanDerWaalsContact CD1-CD1 3.49Å; I75-F89 HydrophobicContact CD1-CE1 4.39Å; I75-F89 HydrophobicContact CD1-CG 3.97Å; F83-F89 HydrophobicContact CD2-CD1 4.26Å; F83-F89 HydrophobicContact CE1-CD1 4.19Å; F83-F89 AromaticContact CE1-CE1 3.73Å; F83-F89 HydrophobicContact CE1-CE1 3.73Å; F83-F89 AromaticContact CE2-CD1 3.43Å; F83-F89 HydrophobicContact CE2-CD1 3.43Å; F83-F89 VanDerWaalsContact CE2-CD1 3.43Å; F83-F89 AromaticContact CE2-CE1 3.85Å; F83-F89 HydrophobicContact CE2-CE1 3.85Å; F83-F89 HydrophobicContact CE2-CG 4.44Å; F83-F89 AromaticContact CZ-CD1 3.38Å; F83-F89 HydrophobicContact CZ-CD1 3.38Å; F83-F89 AromaticContact CZ-CE1 3.32Å; F83-F89 HydrophobicContact CZ-CE1 3.32Å; F83-F89 HydrophobicContact CZ-CG 4.44Å; F83-F89 HydrophobicContact CZ-CZ 4.34Å; E85-F89 WeakPolarHBondContact CA-O 3.29Å; K86-F89 PolarHBondContact N-O 2.94Å; K86-F89 WeakPolarHBondContact O-CB 3.23Å; K86-F89 PolarHBondContact O-N 2.92Å; S87-F89 VanDerWaalsContact C-N 3.3Å; S87-F89 PolarHBondContact O-N 2.83Å
90	H	95.5	Very high	94.1	Very high	52 Å²	52	61.7 Å²	61.7	24%	0.241	34%	0.335	C	S	.	.			trans	-104.8	138.7	-170.2	-61.2	-81	0	0	0	111.1	R62 F83 E85 G88 Y92 R94	R62-H90 VanDerWaalsContact CD-O 3.29Å; R62-H90 WeakPolarHBondContact CD-O 3.04Å; F83-H90 WeakPolarHBondContact CZ-O 3.1Å; E85-H90 VanDerWaalsContact CD-ND1 3.33Å; E85-H90 WeakPolarHBondContact OE1-CB 3.47Å; E85-H90 IonicContact OE1-CG 2.96Å; E85-H90 IonicContact OE1-ND1 2.71Å; E85-H90 IonicContact OE2-CE1 3.94Å; E85-H90 IonicContact OE2-CG 3.09Å; E85-H90 IonicContact OE2-ND1 3.79Å; E85-H90 PolarHBondContact OE2-ND1 3.36Å; G88-H90 PolarHBondContact O-CD2 2.98Å; G88-H90 VanDerWaalsContact O-CD2 3.29Å; H90-Y92 WeakPolarHBondContact CB-O 3.46Å; H90-R94 HydrophobicContact CB-CG 4.48Å
91	F	96.9	Very high	94.2	Very high	3 Å²	3	63.1 Å²	63.1	1%	0.013	34%	0.337	C	S	.	.	S	Bend	trans	-83.9	-38.6	173.8	179.6	-97.2	0	0	0	111.1	P30 R62 G81 R82 F83 E85	P30-F91 HydrophobicContact CB-CE1 3.76Å; P30-F91 HydrophobicContact CB-CZ 3.88Å; P30-F91 HydrophobicContact CG-CE1 4.06Å; R62-F91 VanDerWaalsContact CZ-O 3.22Å; R62-F91 PolarHBondContact NE-O 3.46Å; R62-F91 PolarHBondContact NH2-O 3.46Å; G81-F91 WeakPolarHBondContact O-CE2 3.02Å; R82-F91 HydrophobicContact CB-CE2 4.28Å; R82-F91 HydrophobicContact CB-CZ 4.22Å; R82-F91 HydrophobicContact CG-CE1 4.09Å; R82-F91 HydrophobicContact CG-CE2 4.21Å; R82-F91 HydrophobicContact CG-CZ 3.73Å; F83-F91 HydrophobicContact CD1-CB 4.33Å; F83-F91 AromaticContact CD1-CD2 3.73Å; F83-F91 HydrophobicContact CD1-CD2 3.73Å; F83-F91 HydrophobicContact CD1-CG 4.47Å; F83-F91 HydrophobicContact CD2-CB 4.19Å; F83-F91 HydrophobicContact CE1-CB 3.99Å; F83-F91 AromaticContact CE1-CD2 3.57Å; F83-F91 HydrophobicContact CE1-CD2 3.57Å; F83-F91 HydrophobicContact CE1-CG 4.27Å; F83-F91 HydrophobicContact CE2-CB 3.83Å; F83-F91 HydrophobicContact CG-CB 4.42Å; F83-F91 HydrophobicContact CG-CD2 4.46Å; F83-F91 VanDerWaalsContact CZ-CA 3.5Å; F83-F91 HydrophobicContact CZ-CB 3.73Å; F83-F91 HydrophobicContact CZ-CD2 4.18Å; F83-F91 HydrophobicContact CZ-CG 4.48Å; E85-F91 PolarHBondContact OE1-N 3.1Å
92	Y	95.3	Very high	94.2	Very high	57 Å²	57	63.2 Å²	63.2	22%	0.224	34%	0.336	C	S	.	.	S	Bend	trans	-95.5	169	176.3	-63.3	-78.2	0	0	0	110.9	P30 E85 H90 R94 C144 G145	P30-Y92 HydrophobicContact CG-CD1 3.93Å; P30-Y92 HydrophobicContact CG-CE1 3.66Å; E85-Y92 PolarHBondContact OE1-N 2.91Å; H90-Y92 WeakPolarHBondContact CB-O 3.46Å; Y92-R94 PolarHBondContact O-N 2.79Å; Y92-C144 WeakPolarHBondContact CE1-O 3.4Å; Y92-G145 WeakPolarHBondContact OH-CA 3.36Å
93	H	95.2	Very high	94.2	Very high	36 Å²	36	59.6 Å²	59.6	17%	0.167	33%	0.326	C	S	.	.			trans	-62.1	136.8	171.9	176.4	-86.9	0	0	0	109.9	G95 C96 K101 H137	H93-G95 PolarHBondContact CE1-N 3.14Å; H93-G95 WeakPolarHBondContact ND1-CA 3.49Å; H93-G95 PolarHBondContact ND1-N 2.91Å; H93-G95 PolarHBondContact O-N 3.22Å; H93-C96 VanDerWaalsContact O-CB 3.23Å; H93-C96 WeakPolarHBondContact O-CB 2.96Å; H93-C96 PolarHBondContact O-N 2.99Å; H93-K101 PolarHBondContact NE2-O 3.34Å; H93-H137 VanDerWaalsContact CB-CE1 3.49Å; H93-H137 WeakPolarHBondContact CB-CE1 2.96Å; H93-H137 WeakPolarHBondContact CB-NE2 3.43Å
94	R	92.8	Very high	94.3	Very high	157 Å²	157	62.8 Å²	62.8	59%	0.592	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-22.4	-175.4	-74.6	-173.1	-97.8	-175	-10.1	115.6	E58 H90 Y92	E58-R94 IonicContact OE2-CZ 3.14Å; E58-R94 VanDerWaalsContact OE2-CZ 3.24Å; E58-R94 IonicContact OE2-NE 3.61Å; E58-R94 PolarHBondContact OE2-NE 2.8Å; E58-R94 IonicContact OE2-NH2 2.6Å; E58-R94 PolarHBondContact OE2-NH2 2.81Å; H90-R94 HydrophobicContact CB-CG 4.48Å; Y92-R94 PolarHBondContact O-N 2.79Å
95	G	93.9	Very high	94.2	Very high	11 Å²	11	60.8 Å²	60.8	11%	0.113	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-0.5	174.9	0	0	0	0	0	114.9	H93 P97 D98 N99 V100	H93-G95 PolarHBondContact CE1-N 3.14Å; H93-G95 WeakPolarHBondContact ND1-CA 3.49Å; H93-G95 PolarHBondContact ND1-N 2.91Å; H93-G95 PolarHBondContact O-N 3.22Å; G95-P97 CarbonylContact O-C 3.57Å; G95-D98 PolarHBondContact O-N 3Å; G95-N99 WeakPolarHBondContact CA-O 3.09Å; G95-N99 CarbonylContact O-C 3.53Å; G95-N99 VanDerWaalsContact O-C 3.22Å; G95-N99 VanDerWaalsContact O-CA 3.31Å; G95-N99 WeakPolarHBondContact O-CA 2.95Å; G95-N99 PolarHBondContact O-N 2.81Å; G95-V100 PolarHBondContact O-N 2.95Å
96	C	93.9	Very high	94.2	Very high	33 Å²	33	61.1 Å²	61.1	22%	0.223	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	141.9	179	-84.7	0	0	0	0	112.1	H93 C144	H93-C96 VanDerWaalsContact O-CB 3.23Å; H93-C96 WeakPolarHBondContact O-CB 2.96Å; H93-C96 PolarHBondContact O-N 2.99Å; C96-C144 VanDerWaalsContact CA-SG 3.53Å; C96-C144 HydrophobicContact CB-CB 3.56Å; C96-C144 WeakPolarHBondContact CB-SG 3.25Å; C96-C144 VanDerWaalsContact SG-CA 3.55Å; C96-C144 WeakPolarHBondContact SG-CB 3.33Å; C96-C144 CovalentContact SG-SG 2.04Å; C96-C144 PolarHBondContact SG-SG 3.5Å
97	P	92	Very high	94.4	Very high	65 Å²	65	65.6 Å²	65.6	42%	0.422	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	cis	-85	-22.1	-11.3	32.6	-32.3	0	0	0	113.6	G95 C144	G95-P97 CarbonylContact O-C 3.57Å; P97-C144 HydrophobicContact CB-CB 4.39Å
98	D	92.8	Very high	94.8	Very high	160 Å²	160	64.1 Å²	64.1	86%	0.856	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-18.5	-159.8	-58.9	-52.7	0	0	0	116	G95	G95-D98 PolarHBondContact O-N 3Å
99	N	95.3	Very high	95	Very high	90 Å²	90	67.7 Å²	67.7	48%	0.481	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.2	36.4	-168.5	-169.6	33.2	0	0	0	112.1	G95 K101	G95-N99 WeakPolarHBondContact CA-O 3.09Å; G95-N99 CarbonylContact O-C 3.53Å; G95-N99 VanDerWaalsContact O-C 3.22Å; G95-N99 VanDerWaalsContact O-CA 3.31Å; G95-N99 WeakPolarHBondContact O-CA 2.95Å; G95-N99 PolarHBondContact O-N 2.81Å; N99-K101 PolarHBondContact O-N 3.26Å; N99-K101 WeakPolarHBondContact OD1-CE 3.19Å; N99-K101 PolarHBondContact OD1-NZ 3.03Å
100	V	95.7	Very high	95.1	Very high	33 Å²	33	70.2 Å²	70.2	20%	0.2	39%	0.386	C	S	.	.			trans	-66.2	129.9	176.2	-179.9	0	0	0	0	110.6	G95 H137 K138	G95-V100 PolarHBondContact O-N 2.95Å; V100-H137 HydrophobicContact CG1-CB 4.4Å; V100-K138 HydrophobicContact CG1-CB 4.06Å
101	K	96.7	Very high	95.2	Very high	116 Å²	116	70.1 Å²	70.1	50%	0.504	38%	0.384	S	S	.	.			trans	-138	156.2	-178.4	-67.7	177.3	-177.7	163.2	0	109.9	H93 N99	H93-K101 PolarHBondContact NE2-O 3.34Å; N99-K101 PolarHBondContact O-N 3.26Å; N99-K101 WeakPolarHBondContact OD1-CE 3.19Å; N99-K101 PolarHBondContact OD1-NZ 3.03Å
102	D	98	Very high	95.2	Very high	10 Å²	10	72 Å²	72	5%	0.053	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-72	151.7	160.4	-64.5	-30.6	0	0	0	108.7	T112 R135 C136 H137 K138 T139	D102-T112 WeakPolarHBondContact OD2-CA 3.39Å; D102-T112 WeakPolarHBondContact OD2-CB 3.4Å; D102-T112 PolarHBondContact OD2-OG1 2.84Å; D102-R135 CarbonylContact C-O 3.22Å; D102-R135 WeakPolarHBondContact CA-O 3.47Å; D102-R135 VanDerWaalsContact CB-O 3.28Å; D102-R135 WeakPolarHBondContact CB-O 3.31Å; D102-C136 WeakPolarHBondContact OD1-CA 3.49Å; D102-H137 PolarHBondContact OD1-N 3.08Å; D102-K138 WeakPolarHBondContact OD1-CA 3.49Å; D102-K138 WeakPolarHBondContact OD1-CB 3.31Å; D102-K138 PolarHBondContact OD1-N 3.48Å; D102-T139 PolarHBondContact OD1-N 2.84Å; D102-T139 PolarHBondContact OD2-OG1 3.17Å
103	A	97.2	Very high	95.4	Very high	19 Å²	19	73.8 Å²	73.8	16%	0.157	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-64.5	161.8	178.3	0	0	0	0	0	110.9	Y111 R135	A103-Y111 HydrophobicContact CB-CD2 3.95Å; A103-Y111 WeakPolarHBondContact O-CB 3.01Å; A103-Y111 WeakPolarHBondContact O-CD2 3.48Å; A103-Y111 PolarHBondContact O-N 3.04Å; A103-R135 PolarHBondContact N-O 3.39Å
104	T	96.9	Very high	95.5	Very high	85 Å²	85	75.5 Å²	75.5	52%	0.521	42%	0.419	S	S	.	.	B	Isolated β-bridge	trans	-103.1	154.4	167.7	53.1	0	0	0	0	110.7	E109 Y111	T104-E109 CarbonylContact C-O 3.55Å; T104-E109 WeakPolarHBondContact CA-O 3.12Å; T104-Y111 WeakPolarHBondContact O-CE2 3.49Å
105	N	92.8	Very high	95.7	Very high	39 Å²	39	68 Å²	68	21%	0.209	39%	0.391	C	S	.	.			trans	-80	-178.9	170.7	73.8	12.5	0	0	0	111.1	F107 G108 E109 Y111	N105-F107 PolarHBondContact O-N 3.05Å; N105-F107 VanDerWaalsContact O-N 3.14Å; N105-F107 WeakPolarHBondContact OD1-CA 3.23Å; N105-F107 WeakPolarHBondContact OD1-CB 3.5Å; N105-F107 PolarHBondContact OD1-N 3.5Å; N105-G108 PolarHBondContact O-N 2.85Å; N105-G108 PolarHBondContact OD1-N 3.21Å; N105-E109 PolarHBondContact N-O 3.41Å; N105-E109 PolarHBondContact ND2-OE2 2.6Å; N105-E109 PolarHBondContact OD1-N 3Å; N105-Y111 HydrophobicContact CB-CE2 3.94Å
106	A	92	Very high	95.9	Very high	104 Å²	104	72.4 Å²	72.4	86%	0.86	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-18.4	-179	0	0	0	0	0	114.3
107	F	95	Very high	96.1	Very high	178 Å²	178	76.4 Å²	76.4	78%	0.781	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	1.2	176.8	-53.6	-67.7	0	0	0	112.8	N105 E109	N105-F107 PolarHBondContact O-N 3.05Å; N105-F107 VanDerWaalsContact O-N 3.14Å; N105-F107 WeakPolarHBondContact OD1-CA 3.23Å; N105-F107 WeakPolarHBondContact OD1-CB 3.5Å; N105-F107 PolarHBondContact OD1-N 3.5Å; F107-E109 VanDerWaalsContact C-N 3.34Å; F107-E109 HydrophobicContact CB-CG 4.25Å
108	G	95.5	Very high	96.4	Very high	53 Å²	53	78.3 Å²	78.3	55%	0.546	42%	0.424	S	S	.	.	S	Bend	trans	82.9	7.3	-177.5	0	0	0	0	0	114.2	N105	N105-G108 PolarHBondContact O-N 2.85Å; N105-G108 PolarHBondContact OD1-N 3.21Å
109	E	96.3	Very high	96.6	Very high	118 Å²	118	73.2 Å²	73.2	55%	0.551	39%	0.394	S	S	*	.			trans	-83	139	179	-52.2	170.8	131.4	0	0	110.3	T104 N105 F107	T104-E109 CarbonylContact C-O 3.55Å; T104-E109 WeakPolarHBondContact CA-O 3.12Å; N105-E109 PolarHBondContact N-O 3.41Å; N105-E109 PolarHBondContact ND2-OE2 2.6Å; N105-E109 PolarHBondContact OD1-N 3Å; F107-E109 VanDerWaalsContact C-N 3.34Å; F107-E109 HydrophobicContact CB-CG 4.25Å
110	S	96.7	Very high	96.7	Very high	55 Å²	55	74.4 Å²	74.4	39%	0.385	40%	0.401	S	S	.	.	B	Isolated β-bridge	trans	-66	138.6	179	-177.5	0	0	0	0	111.9	T112 P113	S110-T112 PolarHBondContact O-N 3.39Å; S110-T112 WeakPolarHBondContact OG-CB 3.01Å; S110-T112 PolarHBondContact OG-N 3.49Å; S110-T112 PolarHBondContact OG-OG1 2.69Å; S110-P113 VanDerWaalsContact O-CD 3.26Å; S110-P113 WeakPolarHBondContact O-CD 3.38Å
111	Y	97.6	Very high	96.7	Very high	51 Å²	51	77.3 Å²	77.3	20%	0.2	42%	0.418	C	S	.	.	S	Bend	trans	-70.6	-8.6	167.6	-83.6	-73.6	0	0	0	113.3	A103 T104 N105 P113 W114 C115 R135	A103-Y111 HydrophobicContact CB-CD2 3.95Å; A103-Y111 WeakPolarHBondContact O-CB 3.01Å; A103-Y111 WeakPolarHBondContact O-CD2 3.48Å; A103-Y111 PolarHBondContact O-N 3.04Å; T104-Y111 WeakPolarHBondContact O-CE2 3.49Å; N105-Y111 HydrophobicContact CB-CE2 3.94Å; Y111-P113 VanDerWaalsContact C-CD 3.48Å; Y111-P113 VanDerWaalsContact O-N 3.16Å; Y111-W114 HydrophobicContact CD1-CB 4.26Å; Y111-W114 HydrophobicContact CD1-CD2 4.43Å; Y111-W114 HydrophobicContact CD1-CE3 4.41Å; Y111-W114 HydrophobicContact CD1-CG 4.38Å; Y111-W114 CarbonylContact O-C 3.5Å; Y111-W114 WeakPolarHBondContact O-CA 3.21Å; Y111-W114 WeakPolarHBondContact O-CB 3.27Å; Y111-W114 PolarHBondContact O-N 3.22Å; Y111-C115 PolarHBondContact O-N 3.41Å; Y111-C115 PolarHBondContact O-SG 2.86Å; Y111-R135 HydrophobicContact CD2-CB 4.36Å; Y111-R135 HydrophobicContact CD2-CG 4.17Å; Y111-R135 HydrophobicContact CE2-CG 4.27Å; Y111-R135 HydrophobicContact CG-CB 4.26Å; Y111-R135 HydrophobicContact CG-CG 4.37Å
112	T	98.3	Very high	96.6	Very high	43 Å²	43	75.1 Å²	75.1	26%	0.264	41%	0.412	S	S	.	.	H	α-helix	trans	-46.6	-46.8	-177.7	-59	0	0	0	0	114.1	D102 S110 W114 C115 M116	D102-T112 WeakPolarHBondContact OD2-CA 3.39Å; D102-T112 WeakPolarHBondContact OD2-CB 3.4Å; D102-T112 PolarHBondContact OD2-OG1 2.84Å; S110-T112 PolarHBondContact O-N 3.39Å; S110-T112 WeakPolarHBondContact OG-CB 3.01Å; S110-T112 PolarHBondContact OG-N 3.49Å; S110-T112 PolarHBondContact OG-OG1 2.69Å; T112-W114 PolarHBondContact O-N 3.48Å; T112-C115 WeakPolarHBondContact O-CB 3.38Å; T112-C115 PolarHBondContact O-N 2.73Å; T112-M116 HydrophobicContact CG2-CG 4.25Å; T112-M116 HydrophobicContact CG2-SD 4.07Å; T112-M116 WeakPolarHBondContact O-CG 3.27Å; T112-M116 PolarHBondContact O-N 3.23Å
113	P	98	Very high	96.4	Very high	93 Å²	93	83.7 Å²	83.7	60%	0.604	45%	0.451	S	S	*	.	H	α-helix	trans	-61.3	-42.1	177.8	-23.1	35.5	0	0	0	113	S110 Y111 Q117	S110-P113 VanDerWaalsContact O-CD 3.26Å; S110-P113 WeakPolarHBondContact O-CD 3.38Å; Y111-P113 VanDerWaalsContact C-CD 3.48Å; Y111-P113 VanDerWaalsContact O-N 3.16Å; P113-Q117 WeakPolarHBondContact O-CB 3.5Å; P113-Q117 PolarHBondContact O-N 3.32Å
114	W	97.7	Very high	96.3	Very high	72 Å²	72	83.9 Å²	83.9	27%	0.273	46%	0.456	S	S	.	.	H	α-helix	trans	-64.5	-44.4	175	-178.6	93.5	0	0	0	110.8	Y111 T112 M116 Q117 W118 F132	Y111-W114 HydrophobicContact CD1-CB 4.26Å; Y111-W114 HydrophobicContact CD1-CD2 4.43Å; Y111-W114 HydrophobicContact CD1-CE3 4.41Å; Y111-W114 HydrophobicContact CD1-CG 4.38Å; Y111-W114 CarbonylContact O-C 3.5Å; Y111-W114 WeakPolarHBondContact O-CA 3.21Å; Y111-W114 WeakPolarHBondContact O-CB 3.27Å; Y111-W114 PolarHBondContact O-N 3.22Å; T112-W114 PolarHBondContact O-N 3.48Å; W114-M116 PolarHBondContact O-N 3.31Å; W114-Q117 PolarHBondContact O-N 3Å; W114-W118 AromaticContact CD1-CD1 3.51Å; W114-W118 AromaticContact CD1-NE1 3.48Å; W114-W118 AromaticContact CD2-CD1 3.62Å; W114-W118 AromaticContact CE2-CD1 3.32Å; W114-W118 AromaticContact CE2-NE1 3.65Å; W114-W118 AromaticContact CG-CD1 3.73Å; W114-W118 AromaticContact CZ2-CD1 3.88Å; W114-W118 HydrophobicContact CZ2-CG 4.36Å; W114-W118 AromaticContact NE1-CD1 3.25Å; W114-W118 VanDerWaalsContact NE1-CD1 3.25Å; W114-W118 AromaticContact NE1-NE1 3.12Å; W114-W118 VanDerWaalsContact NE1-NE1 3.12Å; W114-W118 VanDerWaalsContact O-CD1 3.22Å; W114-W118 PolarHBondContact O-N 3Å; W114-F132 HydrophobicContact CE3-CZ 4.23Å; W114-F132 HydrophobicContact CH2-CD2 4.09Å; W114-F132 HydrophobicContact CH2-CE1 4.35Å; W114-F132 AromaticContact CH2-CE2 3.31Å; W114-F132 HydrophobicContact CH2-CE2 3.31Å; W114-F132 AromaticContact CH2-CZ 3.42Å; W114-F132 HydrophobicContact CH2-CZ 3.42Å; W114-F132 VanDerWaalsContact CH2-CZ 3.42Å; W114-F132 HydrophobicContact CZ2-CE2 4.29Å; W114-F132 HydrophobicContact CZ2-CZ 4.31Å; W114-F132 HydrophobicContact CZ3-CD1 4.48Å; W114-F132 HydrophobicContact CZ3-CD2 4.27Å; W114-F132 AromaticContact CZ3-CE1 3.87Å; W114-F132 HydrophobicContact CZ3-CE1 3.87Å; W114-F132 AromaticContact CZ3-CE2 3.66Å; W114-F132 HydrophobicContact CZ3-CE2 3.66Å; W114-F132 AromaticContact CZ3-CZ 3.37Å; W114-F132 HydrophobicContact CZ3-CZ 3.37Å
115	C	98.3	Very high	96.1	Very high	0 Å²	0	83.7 Å²	83.7	0%	0	46%	0.462	C	S	.	.	H	α-helix	trans	-59.9	-47.8	178.3	-67.3	0	0	0	0	111.8	Y111 T112 K119 C136 T139	Y111-C115 PolarHBondContact O-N 3.41Å; Y111-C115 PolarHBondContact O-SG 2.86Å; T112-C115 WeakPolarHBondContact O-CB 3.38Å; T112-C115 PolarHBondContact O-N 2.73Å; C115-K119 WeakPolarHBondContact O-CB 3.31Å; C115-K119 PolarHBondContact O-N 2.76Å; C115-C136 WeakPolarHBondContact CA-SG 3.49Å; C115-C136 HydrophobicContact CB-CB 3.53Å; C115-C136 WeakPolarHBondContact CB-SG 2.99Å; C115-C136 WeakPolarHBondContact SG-CA 3.33Å; C115-C136 WeakPolarHBondContact SG-CB 3.39Å; C115-C136 CovalentContact SG-SG 2.02Å; C115-C136 PolarHBondContact SG-SG 3.27Å; C115-T139 HydrophobicContact CB-CG2 3.73Å
116	M	98.1	Very high	96.3	Very high	104 Å²	104	82.6 Å²	82.6	51%	0.512	46%	0.457	S	S	.	.	H	α-helix	trans	-62.8	-47.1	177.7	-72	-178.9	69.8	0	0	111.8	T112 W114 W118 N120 T139	T112-M116 HydrophobicContact CG2-CG 4.25Å; T112-M116 HydrophobicContact CG2-SD 4.07Å; T112-M116 WeakPolarHBondContact O-CG 3.27Å; T112-M116 PolarHBondContact O-N 3.23Å; W114-M116 PolarHBondContact O-N 3.31Å; M116-W118 PolarHBondContact O-N 3.48Å; M116-N120 WeakPolarHBondContact O-CB 3.23Å; M116-N120 PolarHBondContact O-N 3.18Å; M116-N120 PolarHBondContact O-ND2 2.96Å; M116-N120 PolarHBondContact O-OD1 3.47Å; M116-T139 HydrophobicContact CG-CG2 4.18Å
117	Q	98	Very high	96.6	Very high	117 Å²	117	77.9 Å²	77.9	55%	0.547	42%	0.417	S	S	.	.	H	α-helix	trans	-57.6	-52.8	179.8	177.9	177.4	2.6	0	0	111	P113 W114 N120 V121	P113-Q117 WeakPolarHBondContact O-CB 3.5Å; P113-Q117 PolarHBondContact O-N 3.32Å; W114-Q117 PolarHBondContact O-N 3Å; Q117-N120 PolarHBondContact O-N 2.83Å; Q117-V121 WeakPolarHBondContact O-CG2 3.45Å; Q117-V121 PolarHBondContact O-N 3.09Å
118	W	97.7	Very high	96.6	Very high	104 Å²	104	72.7 Å²	72.7	39%	0.394	41%	0.407	S	S	.	.	H	α-helix	trans	-78.1	-29.9	-174.4	-73.2	105.2	0	0	0	112.9	W114 M116 N120 V121 N122 N126 F132	W114-W118 AromaticContact CD1-CD1 3.51Å; W114-W118 AromaticContact CD1-NE1 3.48Å; W114-W118 AromaticContact CD2-CD1 3.62Å; W114-W118 AromaticContact CE2-CD1 3.32Å; W114-W118 AromaticContact CE2-NE1 3.65Å; W114-W118 AromaticContact CG-CD1 3.73Å; W114-W118 AromaticContact CZ2-CD1 3.88Å; W114-W118 HydrophobicContact CZ2-CG 4.36Å; W114-W118 AromaticContact NE1-CD1 3.25Å; W114-W118 VanDerWaalsContact NE1-CD1 3.25Å; W114-W118 AromaticContact NE1-NE1 3.12Å; W114-W118 VanDerWaalsContact NE1-NE1 3.12Å; W114-W118 VanDerWaalsContact O-CD1 3.22Å; W114-W118 PolarHBondContact O-N 3Å; M116-W118 PolarHBondContact O-N 3.48Å; W118-N120 VanDerWaalsContact C-N 3.29Å; W118-V121 HydrophobicContact CE3-CB 4.31Å; W118-V121 HydrophobicContact CE3-CG1 4.19Å; W118-V121 HydrophobicContact CZ3-CG1 4.23Å; W118-V121 PolarHBondContact O-N 3.37Å; W118-N122 WeakPolarHBondContact O-CB 3.42Å; W118-N122 PolarHBondContact O-N 2.78Å; W118-N122 VanDerWaalsContact O-N 3.1Å; W118-N122 PolarHBondContact O-ND2 3.25Å; W118-N126 PolarHBondContact O-ND2 3.26Å; W118-F132 HydrophobicContact CB-CE1 4.12Å; W118-F132 HydrophobicContact CB-CE2 4.48Å; W118-F132 HydrophobicContact CB-CZ 3.47Å; W118-F132 VanDerWaalsContact CB-CZ 3.47Å; W118-F132 HydrophobicContact CG-CZ 4.4Å
119	K	97.4	Very high	96.7	Very high	53 Å²	53	75.3 Å²	75.3	23%	0.23	41%	0.405	C	S	.	.	H	α-helix	trans	-56.3	-47	167.1	176.2	173.8	170.2	170.7	0	109.7	C115 N122 E123 G124 T139	C115-K119 WeakPolarHBondContact O-CB 3.31Å; C115-K119 PolarHBondContact O-N 2.76Å; K119-N122 CarbonylContact O-C 3.53Å; K119-N122 PolarHBondContact O-N 3.25Å; K119-E123 PolarHBondContact O-N 3.5Å; K119-G124 PolarHBondContact O-N 3.15Å; K119-T139 HydrophobicContact CD-CG2 3.86Å; K119-T139 WeakPolarHBondContact CD-O 3.37Å; K119-T139 PolarHBondContact NZ-O 3.23Å
120	N	95.9	Very high	96.8	Very high	116 Å²	116	70 Å²	70	62%	0.62	38%	0.381	S	S	*	.	H	α-helix	trans	-66.2	-45	179.2	-68.2	-10.8	0	0	0	112.6	M116 Q117 W118 N122 E123	M116-N120 WeakPolarHBondContact O-CB 3.23Å; M116-N120 PolarHBondContact O-N 3.18Å; M116-N120 PolarHBondContact O-ND2 2.96Å; M116-N120 PolarHBondContact O-OD1 3.47Å; Q117-N120 PolarHBondContact O-N 2.83Å; W118-N120 VanDerWaalsContact C-N 3.29Å; N120-N122 PolarHBondContact O-N 3Å; N120-E123 PolarHBondContact O-N 3.09Å
121	V	96.6	Very high	96.8	Very high	94 Å²	94	69.6 Å²	69.6	57%	0.57	37%	0.374	S	S	*	.	H	α-helix	trans	-60.5	-32.8	178.8	169.2	0	0	0	0	112.4	Q117 W118	Q117-V121 WeakPolarHBondContact O-CG2 3.45Å; Q117-V121 PolarHBondContact O-N 3.09Å; W118-V121 HydrophobicContact CE3-CB 4.31Å; W118-V121 HydrophobicContact CE3-CG1 4.19Å; W118-V121 HydrophobicContact CZ3-CG1 4.23Å; W118-V121 PolarHBondContact O-N 3.37Å
122	N	95.3	Very high	96.8	Very high	69 Å²	69	68 Å²	68	37%	0.369	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	11.6	-178.8	-65.4	-90.7	0	0	0	112.9	W118 K119 N120 G124 A125 N126	W118-N122 WeakPolarHBondContact O-CB 3.42Å; W118-N122 PolarHBondContact O-N 2.78Å; W118-N122 VanDerWaalsContact O-N 3.1Å; W118-N122 PolarHBondContact O-ND2 3.25Å; K119-N122 CarbonylContact O-C 3.53Å; K119-N122 PolarHBondContact O-N 3.25Å; N120-N122 PolarHBondContact O-N 3Å; N122-G124 PolarHBondContact O-N 2.92Å; N122-A125 VanDerWaalsContact O-CB 3.29Å; N122-A125 WeakPolarHBondContact O-CB 3.17Å; N122-A125 PolarHBondContact O-N 3.22Å; N122-N126 HydrophobicContact CB-CB 4.24Å; N122-N126 PolarHBondContact ND2-ND2 2.04Å
123	E	94.2	Very high	96.8	Very high	190 Å²	190	66 Å²	66	89%	0.888	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	33.5	-178	-58	177.3	-170.7	0	0	113.1	K119 N120 A125	K119-E123 PolarHBondContact O-N 3.5Å; N120-E123 PolarHBondContact O-N 3.09Å; E123-A125 VanDerWaalsContact C-N 3.32Å; E123-A125 PolarHBondContact O-N 3.09Å
124	G	93.8	Very high	96.8	Very high	24 Å²	24	64.8 Å²	64.8	25%	0.247	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	-4.5	-178.8	0	0	0	0	0	116.4	K119 N122 N126 C127	K119-G124 PolarHBondContact O-N 3.15Å; N122-G124 PolarHBondContact O-N 2.92Å; G124-N126 PolarHBondContact O-N 3.15Å; G124-N126 VanDerWaalsContact O-N 3.11Å; G124-C127 VanDerWaalsContact O-CB 3.31Å; G124-C127 WeakPolarHBondContact O-CB 3.4Å; G124-C127 PolarHBondContact O-N 3.19Å
125	A	93.9	Very high	96.8	Very high	80 Å²	80	64.3 Å²	64.3	66%	0.661	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-59	-29.4	-177.8	0	0	0	0	0	113.5	N122 E123 C127	N122-A125 VanDerWaalsContact O-CB 3.29Å; N122-A125 WeakPolarHBondContact O-CB 3.17Å; N122-A125 PolarHBondContact O-N 3.22Å; E123-A125 VanDerWaalsContact C-N 3.32Å; E123-A125 PolarHBondContact O-N 3.09Å; A125-C127 VanDerWaalsContact C-N 3.31Å; A125-C127 PolarHBondContact O-N 2.74Å
126	N	96.6	Very high	96.7	Very high	17 Å²	17	64.3 Å²	64.3	9%	0.091	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-71.3	-17.9	175.5	50.8	-9.1	0	0	0	114.2	W118 N122 G124 A128 H129 F132	W118-N126 PolarHBondContact O-ND2 3.26Å; N122-N126 HydrophobicContact CB-CB 4.24Å; N122-N126 PolarHBondContact ND2-ND2 2.04Å; G124-N126 PolarHBondContact O-N 3.15Å; G124-N126 VanDerWaalsContact O-N 3.11Å; N126-A128 PolarHBondContact O-N 2.83Å; N126-H129 WeakPolarHBondContact O-CB 3.26Å; N126-H129 PolarHBondContact O-N 3.05Å; N126-F132 HydrophobicContact CB-CD1 4.16Å; N126-F132 HydrophobicContact CB-CD2 3.7Å; N126-F132 HydrophobicContact CB-CE1 4.27Å; N126-F132 HydrophobicContact CB-CE2 3.8Å; N126-F132 HydrophobicContact CB-CG 3.92Å; N126-F132 HydrophobicContact CB-CZ 4.14Å; N126-F132 WeakPolarHBondContact ND2-CE1 3.46Å; N126-F132 WeakPolarHBondContact ND2-CE2 3.39Å; N126-F132 WeakPolarHBondContact ND2-CZ 3.42Å; N126-F132 WeakPolarHBondContact O-CB 3.36Å; N126-F132 WeakPolarHBondContact O-CG 3.44Å
127	C	97.6	Very high	96.7	Very high	4 Å²	4	59.4 Å²	59.4	3%	0.027	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-64.7	-19.9	180	-76.3	0	0	0	0	114.2	V28 G124 A125 H129 Q133 C140	V28-C127 HydrophobicContact CG1-CB 4.44Å; V28-C127 HydrophobicContact CG2-CB 4.08Å; G124-C127 VanDerWaalsContact O-CB 3.31Å; G124-C127 WeakPolarHBondContact O-CB 3.4Å; G124-C127 PolarHBondContact O-N 3.19Å; A125-C127 VanDerWaalsContact C-N 3.31Å; A125-C127 PolarHBondContact O-N 2.74Å; C127-H129 VanDerWaalsContact C-N 3.27Å; C127-Q133 WeakPolarHBondContact O-CG 3.37Å; C127-Q133 PolarHBondContact O-NE2 2.9Å; C127-Q133 VanDerWaalsContact O-NE2 3.13Å; C127-C140 WeakPolarHBondContact CA-SG 3.02Å; C127-C140 HydrophobicContact CB-CB 3.52Å; C127-C140 WeakPolarHBondContact CB-SG 3.38Å; C127-C140 WeakPolarHBondContact SG-CA 3.41Å; C127-C140 WeakPolarHBondContact SG-CB 3.37Å; C127-C140 CovalentContact SG-SG 2.05Å; C127-C140 PolarHBondContact SG-SG 3.41Å
128	A	95.4	Very high	96.6	Very high	69 Å²	69	59.9 Å²	59.9	57%	0.57	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-83	-0.9	171.1	0	0	0	0	0	113.4	V31 N126	V31-A128 VanDerWaalsContact CG1-O 3.23Å; V31-A128 WeakPolarHBondContact CG1-O 3.44Å; N126-A128 PolarHBondContact O-N 2.83Å
129	H	97.2	Very high	96.6	Very high	109 Å²	109	56 Å²	56	51%	0.505	30%	0.302	S	S	.	.	S	Bend	trans	-90.1	139.2	-178.1	-163.7	-88.5	0	0	0	111.2	N126 C127 L131 F132 Q133	N126-H129 WeakPolarHBondContact O-CB 3.26Å; N126-H129 PolarHBondContact O-N 3.05Å; C127-H129 VanDerWaalsContact C-N 3.27Å; H129-L131 VanDerWaalsContact C-N 3.34Å; H129-L131 PolarHBondContact ND1-N 3.43Å; H129-L131 PolarHBondContact O-N 2.86Å; H129-F132 HydrophobicContact CB-CB 4.48Å; H129-F132 WeakPolarHBondContact O-CA 3.28Å; H129-F132 WeakPolarHBondContact O-CB 3.42Å; H129-F132 PolarHBondContact O-N 3.3Å; H129-Q133 PolarHBondContact O-N 2.98Å
130	P	98	Very high	96.6	Very high	7 Å²	7	53.6 Å²	53.6	5%	0.045	29%	0.292	C	S	.	.	H	α-helix	trans	-58.2	-40.3	-174.9	-23.2	28.9	0	0	0	114.7	V31 Y36 Y63 F132 Q133 Y134	V31-P130 HydrophobicContact CG1-CG 4.26Å; V31-P130 HydrophobicContact CG2-CB 4.28Å; V31-P130 HydrophobicContact CG2-CG 4.45Å; Y36-P130 HydrophobicContact CD1-CG 3.47Å; Y36-P130 VanDerWaalsContact CD1-CG 3.47Å; Y36-P130 HydrophobicContact CD2-CB 4.21Å; Y36-P130 HydrophobicContact CD2-CG 3.56Å; Y36-P130 HydrophobicContact CE1-CG 3.64Å; Y36-P130 HydrophobicContact CE2-CB 4.45Å; Y36-P130 HydrophobicContact CE2-CG 3.73Å; Y36-P130 HydrophobicContact CG-CB 4.39Å; Y36-P130 HydrophobicContact CG-CG 3.43Å; Y36-P130 VanDerWaalsContact CG-CG 3.43Å; Y63-P130 HydrophobicContact CD1-CB 4.39Å; Y63-P130 WeakPolarHBondContact CD1-O 3.16Å; Y63-P130 WeakPolarHBondContact O-CB 3.33Å; P130-F132 VanDerWaalsContact C-N 3.28Å; P130-F132 PolarHBondContact O-N 3.49Å; P130-Q133 PolarHBondContact O-N 2.79Å; P130-Y134 WeakPolarHBondContact O-CB 3.49Å; P130-Y134 PolarHBondContact O-N 3.07Å
131	L	97.3	Very high	96.5	Very high	46 Å²	46	53.5 Å²	53.5	24%	0.241	29%	0.287	C	S	.	.	H	α-helix	trans	-59	-40	174.9	179.4	63.3	0	0	0	112.6	F59 H129 R135	F59-L131 HydrophobicContact CE1-CD1 4.36Å; F59-L131 HydrophobicContact CE2-CB 4.22Å; F59-L131 HydrophobicContact CE2-CD1 3.79Å; F59-L131 HydrophobicContact CZ-CB 4.38Å; F59-L131 HydrophobicContact CZ-CD1 3.65Å; H129-L131 VanDerWaalsContact C-N 3.34Å; H129-L131 PolarHBondContact ND1-N 3.43Å; H129-L131 PolarHBondContact O-N 2.86Å; L131-R135 HydrophobicContact CD1-CG 4.34Å; L131-R135 PolarHBondContact O-N 3.48Å; L131-R135 VanDerWaalsContact O-N 3.08Å
132	F	98	Very high	96.5	Very high	16 Å²	16	49.4 Å²	49.4	7%	0.07	26%	0.263	C	S	.	.	H	α-helix	trans	-71.6	-42	177.6	-100.2	-97.9	0	0	0	111.1	W114 W118 N126 H129 P130 Y134 R135 C136	W114-F132 HydrophobicContact CE3-CZ 4.23Å; W114-F132 HydrophobicContact CH2-CD2 4.09Å; W114-F132 HydrophobicContact CH2-CE1 4.35Å; W114-F132 AromaticContact CH2-CE2 3.31Å; W114-F132 HydrophobicContact CH2-CE2 3.31Å; W114-F132 AromaticContact CH2-CZ 3.42Å; W114-F132 HydrophobicContact CH2-CZ 3.42Å; W114-F132 VanDerWaalsContact CH2-CZ 3.42Å; W114-F132 HydrophobicContact CZ2-CE2 4.29Å; W114-F132 HydrophobicContact CZ2-CZ 4.31Å; W114-F132 HydrophobicContact CZ3-CD1 4.48Å; W114-F132 HydrophobicContact CZ3-CD2 4.27Å; W114-F132 AromaticContact CZ3-CE1 3.87Å; W114-F132 HydrophobicContact CZ3-CE1 3.87Å; W114-F132 AromaticContact CZ3-CE2 3.66Å; W114-F132 HydrophobicContact CZ3-CE2 3.66Å; W114-F132 AromaticContact CZ3-CZ 3.37Å; W114-F132 HydrophobicContact CZ3-CZ 3.37Å; W118-F132 HydrophobicContact CB-CE1 4.12Å; W118-F132 HydrophobicContact CB-CE2 4.48Å; W118-F132 HydrophobicContact CB-CZ 3.47Å; W118-F132 VanDerWaalsContact CB-CZ 3.47Å; W118-F132 HydrophobicContact CG-CZ 4.4Å; N126-F132 HydrophobicContact CB-CD1 4.16Å; N126-F132 HydrophobicContact CB-CD2 3.7Å; N126-F132 HydrophobicContact CB-CE1 4.27Å; N126-F132 HydrophobicContact CB-CE2 3.8Å; N126-F132 HydrophobicContact CB-CG 3.92Å; N126-F132 HydrophobicContact CB-CZ 4.14Å; N126-F132 WeakPolarHBondContact ND2-CE1 3.46Å; N126-F132 WeakPolarHBondContact ND2-CE2 3.39Å; N126-F132 WeakPolarHBondContact ND2-CZ 3.42Å; N126-F132 WeakPolarHBondContact O-CB 3.36Å; N126-F132 WeakPolarHBondContact O-CG 3.44Å; H129-F132 HydrophobicContact CB-CB 4.48Å; H129-F132 WeakPolarHBondContact O-CA 3.28Å; H129-F132 WeakPolarHBondContact O-CB 3.42Å; H129-F132 PolarHBondContact O-N 3.3Å; P130-F132 VanDerWaalsContact C-N 3.28Å; P130-F132 PolarHBondContact O-N 3.49Å; F132-Y134 VanDerWaalsContact C-N 3.28Å; F132-Y134 PolarHBondContact O-N 3.15Å; F132-R135 PolarHBondContact O-N 3.36Å; F132-C136 HydrophobicContact CD1-CB 3.99Å; F132-C136 CarbonylContact O-C 3.44Å; F132-C136 WeakPolarHBondContact O-CA 3.34Å; F132-C136 WeakPolarHBondContact O-CB 3.06Å; F132-C136 PolarHBondContact O-N 2.96Å
133	Q	97.6	Very high	96.5	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-67.6	-30.1	177.5	-64.8	-160.1	-0.8	0	0	113.4	D29 V31 Y63 C127 H129 P130 H137 V142	D29-Q133 PolarHBondContact O-NE2 3.45Å; V31-Q133 VanDerWaalsContact CG1-CD 3.41Å; V31-Q133 HydrophobicContact CG1-CG 4.03Å; Y63-Q133 HydrophobicContact CD1-CB 4.21Å; Y63-Q133 HydrophobicContact CE1-CB 3.73Å; C127-Q133 WeakPolarHBondContact O-CG 3.37Å; C127-Q133 PolarHBondContact O-NE2 2.9Å; C127-Q133 VanDerWaalsContact O-NE2 3.13Å; H129-Q133 PolarHBondContact O-N 2.98Å; P130-Q133 PolarHBondContact O-N 2.79Å; Q133-H137 WeakPolarHBondContact O-CB 3.06Å; Q133-H137 PolarHBondContact O-ND1 2.89Å; Q133-V142 HydrophobicContact CB-CG2 4.29Å; Q133-V142 HydrophobicContact CG-CG2 3.8Å
134	Y	97.7	Very high	96.5	Very high	68 Å²	68	40 Å²	40	27%	0.267	22%	0.223	S	C	.	.	H	α-helix	trans	-67	-48.2	171.4	172.9	-115.1	0	0	0	112.2	E58 F59 Y63 P130 F132	E58-Y134 HydrophobicContact CB-CE2 4.35Å; F59-Y134 HydrophobicContact CB-CD1 3.72Å; F59-Y134 HydrophobicContact CB-CD2 3.97Å; F59-Y134 HydrophobicContact CB-CE1 3.61Å; F59-Y134 HydrophobicContact CB-CE2 3.85Å; F59-Y134 HydrophobicContact CB-CG 3.91Å; F59-Y134 AromaticContact CD2-CD1 3.48Å; F59-Y134 HydrophobicContact CD2-CD1 3.48Å; F59-Y134 VanDerWaalsContact CD2-CD1 3.48Å; F59-Y134 HydrophobicContact CD2-CD2 4.37Å; F59-Y134 HydrophobicContact CD2-CE1 4.22Å; F59-Y134 AromaticContact CD2-CG 3.58Å; F59-Y134 HydrophobicContact CD2-CG 3.58Å; F59-Y134 HydrophobicContact CE2-CD1 4.33Å; F59-Y134 AromaticContact CG-CD1 3.72Å; F59-Y134 HydrophobicContact CG-CD1 3.72Å; F59-Y134 AromaticContact CG-CE1 3.98Å; F59-Y134 HydrophobicContact CG-CE1 3.98Å; F59-Y134 HydrophobicContact CG-CG 4.09Å; Y63-Y134 AromaticContact CD2-CD2 3.78Å; Y63-Y134 HydrophobicContact CD2-CD2 3.78Å; Y63-Y134 HydrophobicContact CD2-CG 4.11Å; Y63-Y134 AromaticContact CE2-CD2 3.81Å; Y63-Y134 HydrophobicContact CE2-CD2 3.81Å; Y63-Y134 HydrophobicContact CE2-CG 4.38Å; P130-Y134 WeakPolarHBondContact O-CB 3.49Å; P130-Y134 PolarHBondContact O-N 3.07Å; F132-Y134 VanDerWaalsContact C-N 3.28Å; F132-Y134 PolarHBondContact O-N 3.15Å
135	R	97.6	Very high	96.1	Very high	62 Å²	62	40 Å²	40	23%	0.234	22%	0.223	C	C	.	.	H	α-helix	trans	-86.9	-31.8	-174.1	-69.8	-176	175.9	175.3	-1.5	114.5	D102 A103 Y111 L131 F132	D102-R135 CarbonylContact C-O 3.22Å; D102-R135 WeakPolarHBondContact CA-O 3.47Å; D102-R135 VanDerWaalsContact CB-O 3.28Å; D102-R135 WeakPolarHBondContact CB-O 3.31Å; A103-R135 PolarHBondContact N-O 3.39Å; Y111-R135 HydrophobicContact CD2-CB 4.36Å; Y111-R135 HydrophobicContact CD2-CG 4.17Å; Y111-R135 HydrophobicContact CE2-CG 4.27Å; Y111-R135 HydrophobicContact CG-CB 4.26Å; Y111-R135 HydrophobicContact CG-CG 4.37Å; L131-R135 HydrophobicContact CD1-CG 4.34Å; L131-R135 PolarHBondContact O-N 3.48Å; L131-R135 VanDerWaalsContact O-N 3.08Å; F132-R135 PolarHBondContact O-N 3.36Å
136	C	97.8	Very high	95.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.232	C	C	.	.			trans	-123.8	27.9	-162.6	-52.1	0	0	0	0	111.9	D102 C115 F132 K138 T139 C140	D102-C136 WeakPolarHBondContact OD1-CA 3.49Å; C115-C136 WeakPolarHBondContact CA-SG 3.49Å; C115-C136 HydrophobicContact CB-CB 3.53Å; C115-C136 WeakPolarHBondContact CB-SG 2.99Å; C115-C136 WeakPolarHBondContact SG-CA 3.33Å; C115-C136 WeakPolarHBondContact SG-CB 3.39Å; C115-C136 CovalentContact SG-SG 2.02Å; C115-C136 PolarHBondContact SG-SG 3.27Å; F132-C136 HydrophobicContact CD1-CB 3.99Å; F132-C136 CarbonylContact O-C 3.44Å; F132-C136 WeakPolarHBondContact O-CA 3.34Å; F132-C136 WeakPolarHBondContact O-CB 3.06Å; F132-C136 PolarHBondContact O-N 2.96Å; C136-K138 PolarHBondContact O-N 3.41Å; C136-T139 PolarHBondContact O-N 3.25Å; C136-C140 WeakPolarHBondContact O-CB 3.4Å; C136-C140 PolarHBondContact O-N 3.42Å
137	H	97.1	Very high	93.1	Very high	2 Å²	2	48 Å²	48	1%	0.009	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-44.2	-174	-154.2	95.1	0	0	0	112.3	H93 V100 D102 Q133 E141 V142	H93-H137 VanDerWaalsContact CB-CE1 3.49Å; H93-H137 WeakPolarHBondContact CB-CE1 2.96Å; H93-H137 WeakPolarHBondContact CB-NE2 3.43Å; V100-H137 HydrophobicContact CG1-CB 4.4Å; D102-H137 PolarHBondContact OD1-N 3.08Å; Q133-H137 WeakPolarHBondContact O-CB 3.06Å; Q133-H137 PolarHBondContact O-ND1 2.89Å; H137-E141 PolarHBondContact O-N 3.31Å; H137-V142 WeakPolarHBondContact CE1-CG1 3.33Å; H137-V142 PolarHBondContact O-N 3.04Å; H137-V142 VanDerWaalsContact O-N 3.09Å
138	K	97	Very high	90.4	Very high	126 Å²	126	53.5 Å²	53.5	55%	0.548	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-50.9	177.4	-176.1	-174.3	175.3	179.3	0	111.1	V100 D102 C136 C140 E141	V100-K138 HydrophobicContact CG1-CB 4.06Å; D102-K138 WeakPolarHBondContact OD1-CA 3.49Å; D102-K138 WeakPolarHBondContact OD1-CB 3.31Å; D102-K138 PolarHBondContact OD1-N 3.48Å; C136-K138 PolarHBondContact O-N 3.41Å; K138-C140 PolarHBondContact O-N 2.85Å; K138-E141 PolarHBondContact O-N 3.45Å
139	T	97.1	Very high	87.5	Confident	22 Å²	22	55.2 Å²	55.2	14%	0.135	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-32.1	-177.9	-72.8	0	0	0	0	112.2	D102 C115 M116 K119 C136	D102-T139 PolarHBondContact OD1-N 2.84Å; D102-T139 PolarHBondContact OD2-OG1 3.17Å; C115-T139 HydrophobicContact CB-CG2 3.73Å; M116-T139 HydrophobicContact CG-CG2 4.18Å; K119-T139 HydrophobicContact CD-CG2 3.86Å; K119-T139 WeakPolarHBondContact CD-O 3.37Å; K119-T139 PolarHBondContact NZ-O 3.23Å; C136-T139 PolarHBondContact O-N 3.25Å
140	C	96.6	Very high	84.4	Confident	3 Å²	3	55.7 Å²	55.7	2%	0.02	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-1.5	176.6	-76.4	0	0	0	0	114.1	V28 C127 C136 K138 V142	V28-C140 VanDerWaalsContact CG2-O 3.23Å; V28-C140 WeakPolarHBondContact CG2-O 3.35Å; C127-C140 WeakPolarHBondContact CA-SG 3.02Å; C127-C140 HydrophobicContact CB-CB 3.52Å; C127-C140 WeakPolarHBondContact CB-SG 3.38Å; C127-C140 WeakPolarHBondContact SG-CA 3.41Å; C127-C140 WeakPolarHBondContact SG-CB 3.37Å; C127-C140 CovalentContact SG-SG 2.05Å; C127-C140 PolarHBondContact SG-SG 3.41Å; C136-C140 WeakPolarHBondContact O-CB 3.4Å; C136-C140 PolarHBondContact O-N 3.42Å; K138-C140 PolarHBondContact O-N 2.85Å; C140-V142 HydrophobicContact CB-CG2 3.86Å; C140-V142 PolarHBondContact O-N 3.46Å
141	E	95.3	Very high	81.4	Confident	114 Å²	114	61.1 Å²	61.1	53%	0.533	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	46.2	180	-59.7	173.6	152.4	0	0	111.1	A27 V28 H137 K138 S143	A27-E141 CarbonylContact C-O 3.49Å; A27-E141 VanDerWaalsContact CA-O 3.31Å; A27-E141 WeakPolarHBondContact CA-O 3.4Å; A27-E141 WeakPolarHBondContact CB-O 3.26Å; V28-E141 PolarHBondContact N-O 3.03Å; H137-E141 PolarHBondContact O-N 3.31Å; K138-E141 PolarHBondContact O-N 3.45Å; E141-S143 PolarHBondContact O-N 3.47Å
142	V	96.5	Very high	78.1	Confident	9 Å²	9	64.8 Å²	64.8	6%	0.055	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-68.2	132.1	-179.9	-178.5	0	0	0	0	108.8	V28 P30 Q133 H137 C140	V28-V142 HydrophobicContact CB-CG2 4.44Å; V28-V142 CarbonylContact O-C 3.38Å; V28-V142 VanDerWaalsContact O-CA 3.27Å; V28-V142 WeakPolarHBondContact O-CA 3.3Å; V28-V142 WeakPolarHBondContact O-CG1 3.24Å; P30-V142 HydrophobicContact CB-CG1 4.41Å; P30-V142 HydrophobicContact CG-CG1 4.19Å; Q133-V142 HydrophobicContact CB-CG2 4.29Å; Q133-V142 HydrophobicContact CG-CG2 3.8Å; H137-V142 WeakPolarHBondContact CE1-CG1 3.33Å; H137-V142 PolarHBondContact O-N 3.04Å; H137-V142 VanDerWaalsContact O-N 3.09Å; C140-V142 HydrophobicContact CB-CG2 3.86Å; C140-V142 PolarHBondContact O-N 3.46Å
143	S	95.2	Very high	75	Confident	29 Å²	29	73 Å²	73	20%	0.203	40%	0.399	C	S	.	.			trans	-65.6	136.2	-175.5	177.3	0	0	0	0	111.9	V28 P30 E141 G145	V28-S143 PolarHBondContact O-N 3.07Å; P30-S143 VanDerWaalsContact CG-O 3.27Å; P30-S143 WeakPolarHBondContact CG-O 3.38Å; E141-S143 PolarHBondContact O-N 3.47Å; S143-G145 PolarHBondContact O-N 3.47Å; S143-G145 PolarHBondContact OG-N 3.47Å; S143-G145 VanDerWaalsContact OG-N 3.1Å
144	C	92.8	Very high	72	Confident	31 Å²	31	86.2 Å²	86.2	21%	0.209	46%	0.457	C	S	.	.			trans	-83	8.4	170.9	-69.3	0	0	0	0	113.4	Y92 C96 P97	Y92-C144 WeakPolarHBondContact CE1-O 3.4Å; C96-C144 VanDerWaalsContact CA-SG 3.53Å; C96-C144 HydrophobicContact CB-CB 3.56Å; C96-C144 WeakPolarHBondContact CB-SG 3.25Å; C96-C144 VanDerWaalsContact SG-CA 3.55Å; C96-C144 WeakPolarHBondContact SG-CB 3.33Å; C96-C144 CovalentContact SG-SG 2.04Å; C96-C144 PolarHBondContact SG-SG 3.5Å; P97-C144 HydrophobicContact CB-CB 4.39Å
145	G	86.7	Confident	70.7	Confident	24 Å²	24	87.2 Å²	87.2	25%	0.247	47%	0.466	C	S	.	.			trans	82.9	-172.5	-174.1	0	0	0	0	0	112.5	Y92 S143 D147	Y92-G145 WeakPolarHBondContact OH-CA 3.36Å; S143-G145 PolarHBondContact O-N 3.47Å; S143-G145 PolarHBondContact OG-N 3.47Å; S143-G145 VanDerWaalsContact OG-N 3.1Å; G145-D147 PolarHBondContact O-N 3.41Å
146	E	75.6	Confident	69.3	Low	183 Å²	183	88.5 Å²	88.5	86%	0.855	48%	0.478	S	S	*	.			trans	-73.5	125.6	170.8	-66.9	-178.3	174.1	0	0	108.7	T148	E146-T148 PolarHBondContact O-N 3.48Å
147	D	51.7	Low	67.8	Low	82 Å²	82	93.4 Å²	93.4	44%	0.439	51%	0.505	S	S	.	.			trans	-59	105	166.4	-74.4	-36.2	0	0	0	108	G145 S149 T150	G145-D147 PolarHBondContact O-N 3.41Å; D147-S149 PolarHBondContact O-N 3.48Å; D147-T150 PolarHBondContact O-N 3.48Å; D147-T150 VanDerWaalsContact O-N 3.15Å; D147-T150 PolarHBondContact O-OG1 3.29Å; D147-T150 VanDerWaalsContact O-OG1 3.09Å
148	T	41.1	Very low	66	Low	121 Å²	121	98.8 Å²	98.8	74%	0.742	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-60.4	-6.8	170.5	44.3	0	0	0	0	112.2	E146 T150 V151	E146-T148 PolarHBondContact O-N 3.48Å; T148-T150 PolarHBondContact O-N 3.09Å; T148-V151 PolarHBondContact O-N 2.84Å
149	S	34	Very low	64.1	Low	105 Å²	105	97.1 Å²	97.1	73%	0.734	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-58.9	-18	169.8	-47.1	0	0	0	0	114.2	D147	D147-S149 PolarHBondContact O-N 3.48Å
150	T	30.8	Very low	61.9	Low	119 Å²	119	102.1 Å²	102.1	73%	0.73	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-96.6	-2.7	176.8	15.4	0	0	0	0	115.3	D147 T148 T152	D147-T150 PolarHBondContact O-N 3.48Å; D147-T150 VanDerWaalsContact O-N 3.15Å; D147-T150 PolarHBondContact O-OG1 3.29Å; D147-T150 VanDerWaalsContact O-OG1 3.09Å; T148-T150 PolarHBondContact O-N 3.09Å; T150-T152 PolarHBondContact O-N 3.31Å; T150-T152 VanDerWaalsContact O-N 3.15Å
151	V	35.3	Very low	59.4	Low	120 Å²	120	109.1 Å²	109.1	73%	0.727	60%	0.598	S	S	*	*	S	Bend	trans	-90.5	54	171.6	-165.6	0	0	0	0	110.3	T148	T148-V151 PolarHBondContact O-N 2.84Å
152	T	28.8	Very low	56.7	Low	124 Å²	124	108.8 Å²	108.8	76%	0.761	60%	0.603	S	S	*	*			trans	-151.1	70.4	156.4	-48.4	0	0	0	0	108.8	T150	T150-T152 PolarHBondContact O-N 3.31Å; T150-T152 VanDerWaalsContact O-N 3.15Å
153	M	31.9	Very low	53.3	Low	187 Å²	187	117.1 Å²	117.1	92%	0.921	65%	0.649	S	S	*	*			trans	-133.1	79.5	151.7	-71.1	-147.6	-63.5	0	0	108.2
154	K	36	Very low	49.5	Very low	280 Å²	280	125.1 Å²	125.1	100%	1.217	69%	0.689	S	S	*	*			trans	-130	0	154.9	-112.6	-170.9	-179.9	-178.8	0	108.1

Retrieved 154 of 154 residues in 75.8 ms (Link to these results)

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