A0A077YX59_TRITR Loading...

Ras protein 2 like

AlphaFold DB , UniProt , Accession A0A077YX59, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 239 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	34.2	Very low	43.9	Very low	241 Å²	241	127.4 Å²	127.4	100%	1.187	67%	0.674	S	S	*	*				0	111.9	0	-79.3	161.4	121.9	0	0	107.7	K3	M1-K3 PolarHBondContact O-N 3.18Å
2	K	38.5	Very low	43.7	Very low	183 Å²	183	130.1 Å²	130.1	80%	0.796	69%	0.689	S	S	*	*			trans	-69.6	111.1	178.6	-70.9	-175.8	170.3	-171.1	0	109.4	E66	K2-E66 IonicContact NZ-OE1 3.8Å
3	K	41.9	Very low	43.8	Very low	155 Å²	155	131.3 Å²	131.3	67%	0.674	70%	0.695	S	S	*	*			trans	-91.2	98.7	170.7	-86.2	-176.2	176.7	174.4	0	108.5	M1 K5	M1-K3 PolarHBondContact O-N 3.18Å; K3-K5 PolarHBondContact O-N 3.16Å
4	K	46.3	Very low	43.4	Very low	130 Å²	130	129.7 Å²	129.7	57%	0.565	71%	0.71	S	S	*	*			trans	-73.5	106.3	169.8	-162	-174.6	-172.4	-156	0	108.4	E6	K4-E6 HydrophobicContact CD-CG 4.46Å; K4-E6 WeakPolarHBondContact CE-OE1 3.42Å; K4-E6 HydrophobicContact CG-CG 4.44Å; K4-E6 IonicContact NZ-OE1 3.62Å; K4-E6 PolarHBondContact NZ-OE1 3.49Å
5	K	52.7	Low	42.6	Very low	113 Å²	113	125.2 Å²	125.2	49%	0.491	71%	0.705	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.6	103.9	171.2	-75.8	-179.2	179.5	175.5	0	108.4	K3	K3-K5 PolarHBondContact O-N 3.16Å
6	E	49.8	Very low	42.2	Very low	119 Å²	119	131.3 Å²	131.3	56%	0.556	71%	0.713	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-86.9	120.1	170.2	-72	-179.6	165.1	0	0	108.9	K4	K4-E6 HydrophobicContact CD-CG 4.46Å; K4-E6 WeakPolarHBondContact CE-OE1 3.42Å; K4-E6 HydrophobicContact CG-CG 4.44Å; K4-E6 IonicContact NZ-OE1 3.62Å; K4-E6 PolarHBondContact NZ-OE1 3.49Å
7	T	51.8	Low	41.7	Very low	54 Å²	54	131.9 Å²	131.9	33%	0.331	73%	0.728	S	S	.	*			trans	-104	113.4	168.9	49.6	0	0	0	0	109.5	G9 V53 Q54	T7-G9 VanDerWaalsContact C-N 3.3Å; T7-G9 PolarHBondContact O-N 3.17Å; T7-V53 WeakPolarHBondContact OG1-CG1 3.46Å; T7-Q54 HydrophobicContact CG2-CG 4.18Å
8	N	40.5	Very low	41.5	Very low	161 Å²	161	133.1 Å²	133.1	86%	0.861	73%	0.727	S	S	*	*			trans	-73.3	84.8	170.4	-72.8	-27.8	0	0	0	109.3
9	G	41.4	Very low	41.1	Very low	60 Å²	60	136.5 Å²	136.5	62%	0.619	74%	0.737	S	S	*	*			trans	-105.4	51.1	173.9	0	0	0	0	0	112.2	T7	T7-G9 VanDerWaalsContact C-N 3.3Å; T7-G9 PolarHBondContact O-N 3.17Å
10	V	46.1	Very low	40.7	Very low	89 Å²	89	133 Å²	133	54%	0.539	74%	0.735	S	S	.	*			trans	-147.8	60.8	164.4	-161.7	0	0	0	0	108.2	Q72	V10-Q72 HydrophobicContact CG2-CB 4.07Å
11	A	40	Very low	40.4	Very low	96 Å²	96	132.1 Å²	132.1	79%	0.793	75%	0.745	S	S	*	*			trans	-85.5	133.7	155.3	0	0	0	0	0	106.5
12	D	40.8	Very low	40.4	Very low	160 Å²	160	126.4 Å²	126.4	86%	0.856	73%	0.729	S	S	*	*	S	Bend	trans	90.6	23.6	168.9	-97.6	-3.1	0	0	0	122.6
13	L	45.2	Very low	40.2	Very low	146 Å²	146	121.6 Å²	121.6	76%	0.764	72%	0.718	S	S	*	*	S	Bend	trans	-123.7	4.4	160.2	-79	168.5	0	0	0	115.4	G15	L13-G15 PolarHBondContact O-N 2.89Å
14	A	38.1	Very low	39.9	Very low	109 Å²	109	125 Å²	125	90%	0.901	73%	0.728	S	S	*	*			trans	-89	48.9	163.9	0	0	0	0	0	110.6
15	G	31.6	Very low	39.2	Very low	62 Å²	62	122 Å²	122	64%	0.639	73%	0.734	S	S	*	*			trans	-99.7	111.3	176	0	0	0	0	0	110.6	L13	L13-G15 PolarHBondContact O-N 2.89Å
16	R	36.4	Very low	38.4	Very low	222 Å²	222	122.3 Å²	122.3	84%	0.838	75%	0.745	S	S	*	*			trans	71.8	76	168.1	-60.3	174.5	168.5	-172.7	-4.5	116.8	H18	R16-H18 PolarHBondContact O-N 3Å; R16-H18 VanDerWaalsContact O-N 3.08Å
17	C	34	Very low	37.5	Very low	142 Å²	142	123.2 Å²	123.2	96%	0.959	76%	0.764	S	S	*	*			trans	-74	85.6	143	-68.5	0	0	0	0	107.7
18	H	38.5	Very low	37.4	Very low	153 Å²	153	129.1 Å²	129.1	71%	0.708	78%	0.78	S	S	*	*			trans	-71.7	130.5	166.4	-120.2	-80.2	0	0	0	108.3	R16 G20	R16-H18 PolarHBondContact O-N 3Å; R16-H18 VanDerWaalsContact O-N 3.08Å; H18-G20 PolarHBondContact O-N 2.89Å
19	E	33.6	Very low	38.1	Very low	198 Å²	198	131.9 Å²	131.9	93%	0.925	78%	0.778	S	S	*	*	S	Bend	trans	-53	109.3	170.7	-68.6	166.3	122.3	0	0	109.6
20	G	33.3	Very low	38.9	Very low	67 Å²	67	134.6 Å²	134.6	69%	0.691	79%	0.788	S	S	*	*			trans	-169.6	97.4	-178.3	0	0	0	0	0	109.4	H18 S22	H18-G20 PolarHBondContact O-N 2.89Å; G20-S22 PolarHBondContact O-N 3.02Å
21	A	33.2	Very low	40.7	Very low	115 Å²	115	132 Å²	132	95%	0.95	77%	0.773	S	S	*	*			trans	-56	118.4	177.5	0	0	0	0	0	111
22	S	35.3	Very low	43.3	Very low	121 Å²	121	131.9 Å²	131.9	85%	0.846	76%	0.756	S	S	*	*			trans	-138.9	135.8	160	-167.7	0	0	0	0	110.5	G20	G20-S22 PolarHBondContact O-N 3.02Å
23	S	33.3	Very low	45.9	Very low	81 Å²	81	124.6 Å²	124.6	57%	0.566	72%	0.716	S	S	*	*			trans	-65.8	145.2	-168.1	-163.3	0	0	0	0	113.5
24	Y	36.5	Very low	48.4	Very low	228 Å²	228	122.7 Å²	122.7	89%	0.894	70%	0.699	S	S	*	*			trans	71.8	124.6	174.3	-45.7	-81.2	0	0	0	115.6
25	G	31.4	Very low	51.2	Low	67 Å²	67	117.5 Å²	117.5	69%	0.691	66%	0.656	S	S	*	*			cis	174.2	148.7	6.4	0	0	0	0	0	110.4
26	T	35.2	Very low	54.3	Low	118 Å²	118	114.6 Å²	114.6	72%	0.724	63%	0.626	S	S	*	*			trans	56.6	106.2	168.5	53.4	0	0	0	0	119.1	R28	T26-R28 PolarHBondContact O-N 2.9Å
27	C	31.5	Very low	57.1	Low	139 Å²	139	104 Å²	104	94%	0.939	59%	0.586	S	S	*	*			trans	-55.2	99.1	152.6	-178.9	0	0	0	0	108.7
28	R	49.6	Very low	60	Low	177 Å²	177	97.3 Å²	97.3	67%	0.668	54%	0.541	S	S	*	.			trans	-77.1	127.2	178.3	-78.5	-171.6	168.1	-159.2	-0.2	108.5	T26 S30 E78	T26-R28 PolarHBondContact O-N 2.9Å; R28-S30 PolarHBondContact O-N 2.94Å; R28-E78 WeakPolarHBondContact CD-OE1 3.46Å; R28-E78 IonicContact CZ-OE1 3.36Å; R28-E78 IonicContact NE-OE1 3.51Å; R28-E78 IonicContact NH1-OE1 2.73Å; R28-E78 PolarHBondContact NH1-OE1 3.03Å; R28-E78 IonicContact NH1-OE2 2.79Å
29	R	55	Low	62.6	Low	219 Å²	219	90.1 Å²	90.1	83%	0.826	51%	0.508	S	S	*	.			trans	-40.5	134.1	175	-68.5	175.8	176.2	143.6	-1.6	109.9	C31	R29-C31 PolarHBondContact O-N 3.21Å; R29-C31 PolarHBondContact O-SG 3.35Å
30	S	58	Low	65.4	Low	117 Å²	117	82.3 Å²	82.3	82%	0.818	47%	0.473	S	S	*	.			trans	-51.3	109	173.3	45	0	0	0	0	109.9	R28 H32	R28-S30 PolarHBondContact O-N 2.94Å; S30-H32 PolarHBondContact O-N 3.06Å; S30-H32 VanDerWaalsContact O-N 3.09Å
31	C	84.3	Confident	68.1	Low	36 Å²	36	80.3 Å²	80.3	24%	0.243	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	98.8	-179.2	-71.2	0	0	0	0	108.7	R29 Y33 C80 K81	R29-C31 PolarHBondContact O-N 3.21Å; R29-C31 PolarHBondContact O-SG 3.35Å; C31-Y33 HydrophobicContact CB-CE2 3.72Å; C31-C80 HydrophobicContact CB-CB 4.11Å; C31-C80 WeakPolarHBondContact O-CA 3.48Å; C31-C80 WeakPolarHBondContact O-CB 3.38Å; C31-K81 PolarHBondContact O-N 3.42Å
32	H	93.8	Very high	70.9	Confident	92 Å²	92	76.1 Å²	76.1	43%	0.426	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	128.3	172.8	-177.1	-87.9	0	0	0	109.6	S30 K81	S30-H32 PolarHBondContact O-N 3.06Å; S30-H32 VanDerWaalsContact O-N 3.09Å; H32-K81 CarbonylContact C-O 3.56Å; H32-K81 VanDerWaalsContact CA-O 3.31Å; H32-K81 WeakPolarHBondContact CA-O 3.42Å
33	Y	96.7	Very high	73.7	Confident	7 Å²	7	70.4 Å²	70.4	3%	0.027	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	126.8	177.7	-56.5	-66.5	0	0	0	110.7	C31 C80 K81 L82 D83 D105 V191 V194 R195	C31-Y33 HydrophobicContact CB-CE2 3.72Å; Y33-C80 HydrophobicContact CD2-CB 3.91Å; Y33-C80 HydrophobicContact CE2-CB 3.69Å; Y33-K81 PolarHBondContact N-O 2.85Å; Y33-L82 HydrophobicContact CD2-CD2 3.86Å; Y33-L82 HydrophobicContact CG-CD2 4.36Å; Y33-L82 CarbonylContact O-C 3.53Å; Y33-L82 WeakPolarHBondContact O-CA 3.33Å; Y33-D83 PolarHBondContact O-N 3.14Å; Y33-D105 WeakPolarHBondContact CA-OD2 3.38Å; Y33-V191 HydrophobicContact CD2-CG1 4.03Å; Y33-V191 HydrophobicContact CD2-CG2 4.38Å; Y33-V191 HydrophobicContact CE2-CG1 3.76Å; Y33-V194 HydrophobicContact CD1-CG1 3.62Å; Y33-V194 HydrophobicContact CE1-CG1 3.82Å; Y33-R195 WeakPolarHBondContact OH-CG 3.33Å; Y33-R195 PolarHBondContact OH-NE 3.06Å
34	R	96.6	Very high	76.6	Confident	107 Å²	107	67.2 Å²	67.2	40%	0.404	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	106.4	173.7	179.6	168.8	51.5	-170.6	-11.3	109.7	I36 D83 G103 G104 D105	R34-I36 HydrophobicContact CG-CD1 3.94Å; R34-D83 CarbonylContact C-O 3.57Å; R34-D83 VanDerWaalsContact CA-O 3.29Å; R34-D83 WeakPolarHBondContact CA-O 3.42Å; R34-G103 VanDerWaalsContact CZ-C 3.41Å; R34-G103 PolarHBondContact NE-O 3.36Å; R34-G103 PolarHBondContact NH2-O 3Å; R34-G104 CarbonylContact O-C 3.59Å; R34-D105 PolarHBondContact N-OD2 2.93Å; R34-D105 PolarHBondContact O-N 3.19Å
35	L	97.3	Very high	79.4	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	135.6	-178	-51.6	-176.7	0	0	0	109.6	L82 D83 V84 L85 G106 F187 L190 V191 V194	L35-L82 HydrophobicContact CD1-CD1 3.76Å; L35-L82 HydrophobicContact CD1-CD2 4.12Å; L35-L82 HydrophobicContact CD1-CG 4.39Å; L35-D83 PolarHBondContact N-O 2.91Å; L35-V84 CarbonylContact O-C 3.59Å; L35-V84 WeakPolarHBondContact O-CA 3.42Å; L35-L85 PolarHBondContact O-N 3.41Å; L35-G106 WeakPolarHBondContact CA-O 3.35Å; L35-F187 HydrophobicContact CD1-CD1 3.96Å; L35-L190 HydrophobicContact CB-CD2 4.21Å; L35-L190 HydrophobicContact CD1-CD2 4.12Å; L35-L190 HydrophobicContact CD2-CD2 3.88Å; L35-L190 HydrophobicContact CD2-CG 4.06Å; L35-L190 HydrophobicContact CG-CD2 4.29Å; L35-V191 HydrophobicContact CD1-CG2 4.26Å; L35-V194 HydrophobicContact CD2-CG2 4.38Å
36	I	96.1	Very high	82.4	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	128.6	-178.5	-45.3	-59.9	0	0	0	109.5	R34 V38 L85 T87 Y100 G106 F107 V108	R34-I36 HydrophobicContact CG-CD1 3.94Å; I36-V38 HydrophobicContact CG2-CG1 3.83Å; I36-L85 HydrophobicContact CD1-CB 3.58Å; I36-L85 HydrophobicContact CD1-CD2 3.83Å; I36-L85 HydrophobicContact CD1-CG 4.36Å; I36-L85 HydrophobicContact CG2-CD2 4.4Å; I36-T87 HydrophobicContact CG2-CG2 3.92Å; I36-Y100 HydrophobicContact CG2-CD2 3.59Å; I36-Y100 HydrophobicContact CG2-CE2 4.1Å; I36-Y100 HydrophobicContact CG2-CG 4.19Å; I36-G106 PolarHBondContact N-O 3.09Å; I36-F107 HydrophobicContact CB-CD1 3.7Å; I36-F107 HydrophobicContact CB-CE1 3.84Å; I36-F107 HydrophobicContact CG1-CD1 4.15Å; I36-F107 HydrophobicContact CG1-CE1 3.8Å; I36-F107 HydrophobicContact CG2-CD1 4.31Å; I36-F107 HydrophobicContact CG2-CE1 4.37Å; I36-F107 CarbonylContact O-C 3.6Å; I36-F107 VanDerWaalsContact O-CA 3.31Å; I36-F107 WeakPolarHBondContact O-CA 3.33Å; I36-V108 PolarHBondContact O-N 2.78Å
37	V	95.8	Very high	85.2	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.006	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	120.1	174.7	-170.5	0	0	0	0	108.6	K45 V84 L85 T87 V108 V110 F187	V37-K45 HydrophobicContact CG1-CB 3.74Å; V37-K45 HydrophobicContact CG1-CD 4.16Å; V37-K45 HydrophobicContact CG1-CG 3.87Å; V37-V84 HydrophobicContact CG2-CG1 3.8Å; V37-L85 PolarHBondContact N-O 3.45Å; V37-T87 WeakPolarHBondContact O-CG2 3.15Å; V37-T87 PolarHBondContact O-OG1 3.06Å; V37-V108 HydrophobicContact CG1-CB 4.32Å; V37-V108 HydrophobicContact CG2-CB 4.33Å; V37-V108 HydrophobicContact CG2-CG2 4.44Å; V37-V110 HydrophobicContact CG1-CG2 3.6Å; V37-F187 HydrophobicContact CG2-CE1 4.49Å
38	V	94.3	Very high	88.3	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	156.3	-177.5	-61.3	0	0	0	0	111.3	I36 Y100 F107 V108 L109 V110 F125 I129	I36-V38 HydrophobicContact CG2-CG1 3.83Å; V38-Y100 HydrophobicContact CG1-CE2 3.88Å; V38-F107 HydrophobicContact CG1-CD1 4.49Å; V38-V108 WeakPolarHBondContact CG2-O 3.41Å; V38-V108 PolarHBondContact N-O 2.94Å; V38-L109 HydrophobicContact CG2-CD1 4.22Å; V38-L109 HydrophobicContact CG2-CG 4Å; V38-V110 PolarHBondContact O-N 3.05Å; V38-F125 HydrophobicContact CB-CD1 4Å; V38-F125 HydrophobicContact CB-CE1 4.18Å; V38-F125 HydrophobicContact CG2-CB 4.45Å; V38-F125 HydrophobicContact CG2-CD1 4.2Å; V38-F125 HydrophobicContact CG2-CG 4.4Å; V38-I129 HydrophobicContact CG2-CD1 4.35Å
39	G	93.9	Very high	90.4	Very high	2 Å²	2	35.5 Å²	35.5	2%	0.021	19%	0.194	C	C	.	.			trans	145.4	167.3	-176.6	0	0	0	0	0	112.2	K45 V110	G39-K45 WeakPolarHBondContact O-CE 3.44Å; G39-K45 PolarHBondContact O-NZ 3.06Å; G39-V110 WeakPolarHBondContact CA-O 3.46Å
40	N	91.7	Very high	92.3	Very high	34 Å²	34	26.2 Å²	26.2	18%	0.182	16%	0.161	C	C	.	.			trans	-59.1	168.2	-176.8	-82.5	10.7	0	0	0	114.1	V43 K45 G89 E121	N40-V43 HydrophobicContact CB-CG1 3.89Å; N40-V43 VanDerWaalsContact O-CG2 3.28Å; N40-V43 WeakPolarHBondContact O-CG2 3.48Å; N40-K45 PolarHBondContact O-NZ 3.48Å; N40-G89 CarbonylContact C-O 3.46Å; N40-E121 VanDerWaalsContact OD1-CG 3.31Å; N40-E121 WeakPolarHBondContact OD1-CG 3.3Å
41	G	90.6	Very high	94	Very high	25 Å²	25	21.2 Å²	21.2	26%	0.258	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	143	169.2	0	0	0	0	0	111.7	V43 G89	G41-V43 PolarHBondContact O-N 3.38Å; G41-G89 PolarHBondContact N-O 3.1Å; G41-G89 VanDerWaalsContact N-O 3.08Å
42	G	91.1	Very high	94.6	Very high	28 Å²	28	19.6 Å²	19.6	29%	0.289	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	-0.9	172.5	0	0	0	0	0	117	G44 Y61 K146	G42-G44 PolarHBondContact O-N 3.06Å; G42-Y61 PolarHBondContact N-OH 3.38Å; G42-K146 VanDerWaalsContact O-CE 3.23Å; G42-K146 WeakPolarHBondContact O-CE 3.32Å; G42-K146 PolarHBondContact O-NZ 3.25Å
43	V	95.1	Very high	94.5	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.094	C	C	.	.	S	Bend	trans	-69.9	-16.5	178.9	-56.1	0	0	0	0	113.8	N40 G41 K45 V110 S118 N145	N40-V43 HydrophobicContact CB-CG1 3.89Å; N40-V43 VanDerWaalsContact O-CG2 3.28Å; N40-V43 WeakPolarHBondContact O-CG2 3.48Å; G41-V43 PolarHBondContact O-N 3.38Å; V43-K45 HydrophobicContact CG2-CD 4.44Å; V43-K45 HydrophobicContact CG2-CG 3.63Å; V43-V110 HydrophobicContact CB-CG1 4.25Å; V43-V110 HydrophobicContact CG2-CB 3.99Å; V43-V110 HydrophobicContact CG2-CG1 3.77Å; V43-S118 VanDerWaalsContact CG1-CB 3.47Å; V43-N145 PolarHBondContact O-ND2 2.93Å
44	G	94.5	Very high	94.2	Very high	14 Å²	14	17.4 Å²	17.4	14%	0.144	10%	0.104	C	C	.	.	S	Bend	trans	99.1	27.6	178.3	0	0	0	0	0	115.5	G42 S46 A47 L48	G42-G44 PolarHBondContact O-N 3.06Å; G44-S46 PolarHBondContact O-N 3.17Å; G44-A47 PolarHBondContact O-N 3.36Å; G44-L48 WeakPolarHBondContact O-CG 3.48Å; G44-L48 PolarHBondContact O-N 3.15Å
45	K	94.8	Very high	94	Very high	10 Å²	10	17.8 Å²	17.8	4%	0.043	11%	0.11	C	C	.	.	H	α-helix	trans	-52.9	-52.6	173.8	-59.2	-170.6	-62.7	-71	0	112.3	V37 G39 N40 V43 A47 L48 T49 D86 T87 V110	V37-K45 HydrophobicContact CG1-CB 3.74Å; V37-K45 HydrophobicContact CG1-CD 4.16Å; V37-K45 HydrophobicContact CG1-CG 3.87Å; G39-K45 WeakPolarHBondContact O-CE 3.44Å; G39-K45 PolarHBondContact O-NZ 3.06Å; N40-K45 PolarHBondContact O-NZ 3.48Å; V43-K45 HydrophobicContact CG2-CD 4.44Å; V43-K45 HydrophobicContact CG2-CG 3.63Å; K45-A47 PolarHBondContact O-N 3Å; K45-L48 PolarHBondContact O-N 3.2Å; K45-T49 PolarHBondContact O-N 2.78Å; K45-T49 PolarHBondContact O-OG1 3.04Å; K45-D86 WeakPolarHBondContact CB-OD1 3.49Å; K45-T87 WeakPolarHBondContact CE-O 3.47Å; K45-V110 HydrophobicContact CG-CB 4.28Å; K45-V110 HydrophobicContact CG-CG2 4.42Å
46	S	93.5	Very high	93.5	Very high	21 Å²	21	23 Å²	23	15%	0.147	13%	0.131	C	C	.	.	H	α-helix	trans	-65.8	-39.4	179.3	-46.6	0	0	0	0	112.3	G44 L48 T49 I50 T64 D86	G44-S46 PolarHBondContact O-N 3.17Å; S46-L48 PolarHBondContact O-N 3.37Å; S46-T49 PolarHBondContact O-N 3.38Å; S46-I50 VanDerWaalsContact O-CB 3.29Å; S46-I50 WeakPolarHBondContact O-CB 3.3Å; S46-I50 WeakPolarHBondContact O-CD1 3.48Å; S46-I50 WeakPolarHBondContact O-CG1 3.4Å; S46-I50 PolarHBondContact O-N 3.46Å; S46-T64 PolarHBondContact OG-OG1 3.01Å; S46-D86 WeakPolarHBondContact CA-OD2 3.39Å; S46-D86 WeakPolarHBondContact CB-OD2 3.28Å; S46-D86 PolarHBondContact N-OD1 3.11Å; S46-D86 PolarHBondContact OG-OD1 2.83Å; S46-D86 PolarHBondContact OG-OD2 3.08Å
47	A	94.8	Very high	92.9	Very high	24 Å²	24	27 Å²	27	20%	0.198	15%	0.148	C	C	.	.	H	α-helix	trans	-62.2	-43.2	175	0	0	0	0	0	111.7	G44 K45 Q51 F57 A177	G44-A47 PolarHBondContact O-N 3.36Å; K45-A47 PolarHBondContact O-N 3Å; A47-Q51 WeakPolarHBondContact O-CB 3.43Å; A47-Q51 PolarHBondContact O-N 3.15Å; A47-F57 HydrophobicContact CB-CD2 4.47Å; A47-F57 HydrophobicContact CB-CE2 4.13Å; A47-A177 HydrophobicContact CB-CB 3.74Å
48	L	96	Very high	92.2	Very high	8 Å²	8	29.8 Å²	29.8	4%	0.042	17%	0.165	C	C	.	.	H	α-helix	trans	-63.9	-46.8	174.9	-74.8	171.6	0	0	0	111.6	G44 K45 S46 Q51 F52 V110 V143 N145 A177 V183	G44-L48 WeakPolarHBondContact O-CG 3.48Å; G44-L48 PolarHBondContact O-N 3.15Å; K45-L48 PolarHBondContact O-N 3.2Å; S46-L48 PolarHBondContact O-N 3.37Å; L48-Q51 PolarHBondContact O-N 3.23Å; L48-F52 VanDerWaalsContact O-CB 3.29Å; L48-F52 WeakPolarHBondContact O-CB 3.48Å; L48-F52 PolarHBondContact O-N 3.03Å; L48-V110 HydrophobicContact CD1-CG1 3.72Å; L48-V110 HydrophobicContact CD1-CG2 3.96Å; L48-V143 HydrophobicContact CD1-CG1 3.99Å; L48-N145 HydrophobicContact CD1-CB 4.23Å; L48-A177 HydrophobicContact CD2-CB 3.97Å; L48-A177 HydrophobicContact CG-CB 4.24Å; L48-V183 HydrophobicContact CD2-CG2 3.84Å
49	T	95	Very high	91.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-64.9	-46.3	-178.8	-58.3	0	0	0	0	111.9	K45 S46 F52 V53 Y69 V84 D86	K45-T49 PolarHBondContact O-N 2.78Å; K45-T49 PolarHBondContact O-OG1 3.04Å; S46-T49 PolarHBondContact O-N 3.38Å; T49-F52 PolarHBondContact O-N 3.46Å; T49-V53 HydrophobicContact CG2-CG2 4.36Å; T49-V53 WeakPolarHBondContact O-CB 2.99Å; T49-V53 WeakPolarHBondContact O-CG2 3.34Å; T49-V53 PolarHBondContact O-N 3.2Å; T49-Y69 HydrophobicContact CG2-CD2 3.33Å; T49-Y69 HydrophobicContact CG2-CE2 3.75Å; T49-Y69 HydrophobicContact CG2-CG 3.96Å; T49-V84 HydrophobicContact CG2-CB 4.27Å; T49-V84 HydrophobicContact CG2-CG1 3.7Å; T49-D86 HydrophobicContact CG2-CB 4.33Å
50	I	93.5	Very high	90.9	Very high	25 Å²	25	40.3 Å²	40.3	13%	0.128	23%	0.232	C	C	.	.	H	α-helix	trans	-65.9	-43.2	177.7	-66.1	166.1	0	0	0	110.3	S46 F52 V53 Q54 Q55 Y56 Y69	S46-I50 VanDerWaalsContact O-CB 3.29Å; S46-I50 WeakPolarHBondContact O-CB 3.3Å; S46-I50 WeakPolarHBondContact O-CD1 3.48Å; S46-I50 WeakPolarHBondContact O-CG1 3.4Å; S46-I50 PolarHBondContact O-N 3.46Å; I50-F52 VanDerWaalsContact C-N 3.31Å; I50-F52 PolarHBondContact O-N 3.4Å; I50-V53 PolarHBondContact O-N 3.36Å; I50-Q54 HydrophobicContact CG2-CB 4.35Å; I50-Q54 HydrophobicContact CG2-CG 4.47Å; I50-Q54 WeakPolarHBondContact O-CA 3.43Å; I50-Q54 WeakPolarHBondContact O-CB 3.46Å; I50-Q54 PolarHBondContact O-N 3.33Å; I50-Q55 PolarHBondContact O-N 2.85Å; I50-Y56 HydrophobicContact CG2-CD1 4.5Å; I50-Y56 HydrophobicContact CG2-CE1 4.04Å; I50-Y56 HydrophobicContact CG2-CE2 4.36Å; I50-Y69 HydrophobicContact CG1-CE1 4.38Å
51	Q	95.2	Very high	89.9	Confident	11 Å²	11	45.7 Å²	45.7	5%	0.051	25%	0.251	C	S	.	.	H	α-helix	trans	-62.3	-40.7	177.3	-176.5	68.6	-62.6	0	0	111.3	A47 L48 Q55 Y56 A177 R180 V183	A47-Q51 WeakPolarHBondContact O-CB 3.43Å; A47-Q51 PolarHBondContact O-N 3.15Å; L48-Q51 PolarHBondContact O-N 3.23Å; Q51-Q55 VanDerWaalsContact O-CA 3.26Å; Q51-Q55 WeakPolarHBondContact O-CA 3.27Å; Q51-Q55 PolarHBondContact O-N 3.28Å; Q51-Q55 VanDerWaalsContact O-N 3.13Å; Q51-Y56 VanDerWaalsContact OE1-C 3.23Å; Q51-Y56 PolarHBondContact OE1-O 3.38Å; Q51-A177 WeakPolarHBondContact CG-O 3.47Å; Q51-A177 PolarHBondContact NE2-O 3.12Å; Q51-R180 HydrophobicContact CG-CB 4.06Å; Q51-R180 HydrophobicContact CG-CG 3.87Å; Q51-V183 HydrophobicContact CB-CG1 4.41Å; Q51-V183 HydrophobicContact CG-CG1 4.32Å; Q51-V183 HydrophobicContact CG-CG2 4.22Å
52	F	95.5	Very high	89.3	Confident	2 Å²	2	51 Å²	51	1%	0.009	27%	0.273	C	S	.	.	H	α-helix	trans	-63.2	-49.4	174.1	174.5	-117.2	0	0	0	111.8	L48 T49 I50 K71 M73 L82 V84 V183 D184 F187	L48-F52 VanDerWaalsContact O-CB 3.29Å; L48-F52 WeakPolarHBondContact O-CB 3.48Å; L48-F52 PolarHBondContact O-N 3.03Å; T49-F52 PolarHBondContact O-N 3.46Å; I50-F52 VanDerWaalsContact C-N 3.31Å; I50-F52 PolarHBondContact O-N 3.4Å; F52-K71 HydrophobicContact CD1-CD 4.49Å; F52-K71 HydrophobicContact CE1-CB 4.18Å; F52-K71 HydrophobicContact CE1-CD 4.13Å; F52-K71 HydrophobicContact CE1-CG 4.34Å; F52-K71 HydrophobicContact CZ-CD 4.19Å; F52-K71 HydrophobicContact CZ-CG 4.37Å; F52-K71 PolarHBondContact O-NZ 3.21Å; F52-M73 HydrophobicContact CZ-SD 3.95Å; F52-L82 HydrophobicContact CE1-CD1 3.93Å; F52-L82 HydrophobicContact CZ-CD1 3.83Å; F52-V84 HydrophobicContact CD1-CG2 4.46Å; F52-V84 HydrophobicContact CE1-CG2 4.28Å; F52-V183 HydrophobicContact CB-CG1 3.78Å; F52-D184 WeakPolarHBondContact CD2-OD1 3.37Å; F52-F187 HydrophobicContact CB-CD2 3.83Å; F52-F187 HydrophobicContact CB-CE2 3.45Å; F52-F187 VanDerWaalsContact CB-CE2 3.45Å; F52-F187 HydrophobicContact CB-CZ 4.15Å; F52-F187 HydrophobicContact CD1-CD1 4.11Å; F52-F187 AromaticContact CD1-CD2 3.73Å; F52-F187 HydrophobicContact CD1-CD2 3.73Å; F52-F187 HydrophobicContact CD1-CE1 4.14Å; F52-F187 AromaticContact CD1-CE2 3.8Å; F52-F187 HydrophobicContact CD1-CE2 3.8Å; F52-F187 AromaticContact CD1-CG 3.91Å; F52-F187 HydrophobicContact CD1-CG 3.91Å; F52-F187 AromaticContact CD1-CZ 4Å; F52-F187 HydrophobicContact CD1-CZ 4Å; F52-F187 HydrophobicContact CD2-CB 4.24Å; F52-F187 AromaticContact CD2-CD2 3.43Å; F52-F187 HydrophobicContact CD2-CD2 3.43Å; F52-F187 VanDerWaalsContact CD2-CD2 3.43Å; F52-F187 HydrophobicContact CD2-CE2 4.01Å; F52-F187 AromaticContact CD2-CG 3.97Å; F52-F187 HydrophobicContact CD2-CG 3.97Å; F52-F187 HydrophobicContact CE1-CB 4.25Å; F52-F187 HydrophobicContact CE1-CD1 4.07Å; F52-F187 HydrophobicContact CE1-CD2 4.16Å; F52-F187 HydrophobicContact CE1-CE1 4.48Å; F52-F187 AromaticContact CE1-CG 3.89Å; F52-F187 HydrophobicContact CE1-CG 3.89Å; F52-F187 HydrophobicContact CE2-CB 3.79Å; F52-F187 AromaticContact CE2-CD2 3.88Å; F52-F187 HydrophobicContact CE2-CD2 3.88Å; F52-F187 AromaticContact CE2-CG 3.95Å; F52-F187 HydrophobicContact CE2-CG 3.95Å; F52-F187 AromaticContact CG-CD2 3.35Å; F52-F187 HydrophobicContact CG-CD2 3.35Å; F52-F187 AromaticContact CG-CE2 3.47Å; F52-F187 HydrophobicContact CG-CE2 3.47Å; F52-F187 VanDerWaalsContact CG-CE2 3.47Å; F52-F187 AromaticContact CG-CG 3.96Å; F52-F187 HydrophobicContact CG-CG 3.96Å; F52-F187 HydrophobicContact CG-CZ 4.12Å; F52-F187 HydrophobicContact CZ-CB 3.8Å; F52-F187 HydrophobicContact CZ-CD1 4.47Å; F52-F187 HydrophobicContact CZ-CD2 4.23Å; F52-F187 AromaticContact CZ-CG 3.92Å; F52-F187 HydrophobicContact CZ-CG 3.92Å
53	V	93	Very high	88.8	Confident	5 Å²	5	53.6 Å²	53.6	3%	0.03	29%	0.285	C	S	.	.	H	α-helix	trans	-76.5	-53	-171.2	176	0	0	0	0	111.4	T7 T49 I50 Y69 K71	T7-V53 WeakPolarHBondContact OG1-CG1 3.46Å; T49-V53 HydrophobicContact CG2-CG2 4.36Å; T49-V53 WeakPolarHBondContact O-CB 2.99Å; T49-V53 WeakPolarHBondContact O-CG2 3.34Å; T49-V53 PolarHBondContact O-N 3.2Å; I50-V53 PolarHBondContact O-N 3.36Å; V53-Y69 HydrophobicContact CG1-CD1 4.31Å; V53-Y69 HydrophobicContact CG2-CG 4.25Å; V53-K71 HydrophobicContact CG2-CB 4.47Å; V53-K71 PolarHBondContact O-NZ 2.73Å
54	Q	90.2	Very high	87.9	Confident	48 Å²	48	54.8 Å²	54.8	22%	0.224	29%	0.293	C	S	.	.	H	α-helix	trans	-104.8	-6.9	-166.5	-49.3	-175.4	32.9	0	0	113.5	T7 I50 Y56	T7-Q54 HydrophobicContact CG2-CG 4.18Å; I50-Q54 HydrophobicContact CG2-CB 4.35Å; I50-Q54 HydrophobicContact CG2-CG 4.47Å; I50-Q54 WeakPolarHBondContact O-CA 3.43Å; I50-Q54 WeakPolarHBondContact O-CB 3.46Å; I50-Q54 PolarHBondContact O-N 3.33Å; Q54-Y56 VanDerWaalsContact C-N 3.27Å; Q54-Y56 HydrophobicContact CB-CD1 3.57Å; Q54-Y56 HydrophobicContact CB-CE1 3.41Å; Q54-Y56 VanDerWaalsContact CB-CE1 3.41Å; Q54-Y56 HydrophobicContact CG-CE1 4.2Å; Q54-Y56 PolarHBondContact O-N 3.22Å; Q54-Y56 PolarHBondContact OE1-OH 3.05Å
55	Q	90.9	Very high	87.1	Confident	116 Å²	116	61.2 Å²	61.2	54%	0.542	32%	0.322	S	S	.	.	S	Bend	trans	60.5	30.1	176.3	-52.4	-168.9	-12.8	0	0	114.8	I50 Q51 R180	I50-Q55 PolarHBondContact O-N 2.85Å; Q51-Q55 VanDerWaalsContact O-CA 3.26Å; Q51-Q55 WeakPolarHBondContact O-CA 3.27Å; Q51-Q55 PolarHBondContact O-N 3.28Å; Q51-Q55 VanDerWaalsContact O-N 3.13Å; Q55-R180 VanDerWaalsContact CG-NH1 3.25Å; Q55-R180 VanDerWaalsContact NE2-NH2 3.19Å
56	Y	87.7	Confident	86.4	Confident	109 Å²	109	63.7 Å²	63.7	43%	0.427	33%	0.334	S	S	.	.			trans	-138.7	159.5	167.7	75.8	-84.5	0	0	0	111.5	I50 Q51 Q54 V58	I50-Y56 HydrophobicContact CG2-CD1 4.5Å; I50-Y56 HydrophobicContact CG2-CE1 4.04Å; I50-Y56 HydrophobicContact CG2-CE2 4.36Å; Q51-Y56 VanDerWaalsContact OE1-C 3.23Å; Q51-Y56 PolarHBondContact OE1-O 3.38Å; Q54-Y56 VanDerWaalsContact C-N 3.27Å; Q54-Y56 HydrophobicContact CB-CD1 3.57Å; Q54-Y56 HydrophobicContact CB-CE1 3.41Å; Q54-Y56 VanDerWaalsContact CB-CE1 3.41Å; Q54-Y56 HydrophobicContact CG-CE1 4.2Å; Q54-Y56 PolarHBondContact O-N 3.22Å; Q54-Y56 PolarHBondContact OE1-OH 3.05Å; Y56-V58 HydrophobicContact CD2-CG2 4Å; Y56-V58 HydrophobicContact CE2-CG2 3.28Å
57	F	83.3	Confident	86.2	Confident	85 Å²	85	65.3 Å²	65.3	37%	0.373	34%	0.341	S	S	.	.			trans	-107.7	125.7	179.9	177.3	-102	0	0	0	110.2	A47 A59 A177 K178	A47-F57 HydrophobicContact CB-CD2 4.47Å; A47-F57 HydrophobicContact CB-CE2 4.13Å; F57-A59 HydrophobicContact CE1-CB 4Å; F57-A177 HydrophobicContact CD2-CB 4.28Å; F57-A177 HydrophobicContact CE2-CB 4.25Å; F57-K178 HydrophobicContact CD1-CG 4.44Å; F57-K178 HydrophobicContact CD2-CB 4.43Å; F57-K178 HydrophobicContact CE1-CB 4.43Å; F57-K178 HydrophobicContact CE1-CG 4.26Å; F57-K178 HydrophobicContact CE2-CB 4.2Å; F57-K178 HydrophobicContact CZ-CB 4.2Å; F57-K178 HydrophobicContact CZ-CG 4.48Å
58	V	80.5	Confident	86	Confident	59 Å²	59	65.9 Å²	65.9	36%	0.358	34%	0.343	S	S	.	.			trans	-94.3	118.8	169.9	-175.2	0	0	0	0	107.8	Y56 D60	Y56-V58 HydrophobicContact CD2-CG2 4Å; Y56-V58 HydrophobicContact CE2-CG2 3.28Å; V58-D60 HydrophobicContact CG1-CB 4.28Å; V58-D60 WeakPolarHBondContact CG1-O 3.33Å
59	A	79.3	Confident	85.9	Confident	81 Å²	81	66.1 Å²	66.1	67%	0.669	34%	0.344	S	S	*	.			trans	-76.4	-32.6	177.4	0	0	0	0	0	112.3	F57 Y61	F57-A59 HydrophobicContact CE1-CB 4Å; A59-Y61 PolarHBondContact O-N 3.38Å
60	D	81.6	Confident	85.9	Confident	142 Å²	142	66.9 Å²	66.9	76%	0.759	35%	0.348	S	S	*	.	S	Bend	trans	-71.7	125	179.7	-60.8	-36	0	0	0	110.6	V58	V58-D60 HydrophobicContact CG1-CB 4.28Å; V58-D60 WeakPolarHBondContact CG1-O 3.33Å
61	Y	71.9	Confident	85.9	Confident	147 Å²	147	67 Å²	67	58%	0.576	35%	0.348	S	S	*	.			trans	-90	110.8	179	-178.8	-106.7	0	0	0	110.4	G42 A59 P63	G42-Y61 PolarHBondContact N-OH 3.38Å; A59-Y61 PolarHBondContact O-N 3.38Å; Y61-P63 HydrophobicContact CD1-CG 4.36Å; Y61-P63 HydrophobicContact CE1-CB 4.4Å; Y61-P63 HydrophobicContact CE1-CG 3.81Å
62	D	78.2	Confident	85.9	Confident	136 Å²	136	71.5 Å²	71.5	73%	0.727	37%	0.369	S	S	*	.			trans	-105.5	119.6	164.2	-168.5	8.3	0	0	0	108.5	T64	D62-T64 PolarHBondContact O-N 2.73Å
63	P	79.5	Confident	85.7	Confident	83 Å²	83	72.3 Å²	72.3	54%	0.539	37%	0.373	S	S	.	.			trans	-55.6	120.1	177.6	-25.3	33.2	0	0	0	112.7	Y61	Y61-P63 HydrophobicContact CD1-CG 4.36Å; Y61-P63 HydrophobicContact CE1-CB 4.4Å; Y61-P63 HydrophobicContact CE1-CG 3.81Å
64	T	76.9	Confident	85.8	Confident	25 Å²	25	76.4 Å²	76.4	15%	0.153	39%	0.394	C	S	.	.			trans	-71.4	138.3	-179.1	-52.1	0	0	0	0	112	S46 D62 D86 A88	S46-T64 PolarHBondContact OG-OG1 3.01Å; D62-T64 PolarHBondContact O-N 2.73Å; T64-D86 WeakPolarHBondContact CG2-OD2 3.36Å; T64-A88 WeakPolarHBondContact O-CA 3.44Å; T64-A88 WeakPolarHBondContact O-CB 3.34Å
65	I	77	Confident	86	Confident	149 Å²	149	74.1 Å²	74.1	76%	0.764	38%	0.383	S	S	*	.	S	Bend	trans	-89	-68.3	169.5	-59.9	174.6	0	0	0	109.3	A88	I65-A88 WeakPolarHBondContact O-CB 3.33Å; I65-A88 PolarHBondContact O-N 3.43Å
66	E	81.7	Confident	86.2	Confident	62 Å²	62	73.4 Å²	73.4	29%	0.29	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.6	123.6	174.4	-179.6	-171	122.8	0	0	106.6	K2 L85 D86	K2-E66 IonicContact NZ-OE1 3.8Å; E66-L85 HydrophobicContact CG-CD1 3.68Å; E66-L85 HydrophobicContact CG-CG 4.42Å; E66-D86 WeakPolarHBondContact CA-O 3.49Å
67	D	87.4	Confident	86.4	Confident	55 Å²	55	71.6 Å²	71.6	29%	0.294	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	135.7	175.9	-80.4	-55.7	0	0	0	110.6	Y69 D86	D67-Y69 HydrophobicContact CB-CD2 4.34Å; D67-Y69 HydrophobicContact CB-CE2 3.54Å; D67-D86 PolarHBondContact N-O 3.17Å; D67-D86 PolarHBondContact O-N 2.89Å
68	S	91	Very high	86.9	Confident	36 Å²	36	69.9 Å²	69.9	25%	0.252	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	127	174.6	155.7	0	0	0	0	109.3	D83 V84	S68-D83 PolarHBondContact OG-OD1 3.39Å; S68-V84 WeakPolarHBondContact CA-O 3.37Å
69	Y	93.8	Very high	87.5	Confident	13 Å²	13	72.3 Å²	72.3	5%	0.051	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	139.7	179.4	-60.6	-90.4	0	0	0	110	T49 I50 V53 D67 D83 V84 D86	T49-Y69 HydrophobicContact CG2-CD2 3.33Å; T49-Y69 HydrophobicContact CG2-CE2 3.75Å; T49-Y69 HydrophobicContact CG2-CG 3.96Å; I50-Y69 HydrophobicContact CG1-CE1 4.38Å; V53-Y69 HydrophobicContact CG1-CD1 4.31Å; V53-Y69 HydrophobicContact CG2-CG 4.25Å; D67-Y69 HydrophobicContact CB-CD2 4.34Å; D67-Y69 HydrophobicContact CB-CE2 3.54Å; Y69-D83 CarbonylContact O-C 3.59Å; Y69-V84 PolarHBondContact N-O 3.32Å; Y69-V84 PolarHBondContact O-N 3.05Å; Y69-D86 HydrophobicContact CD2-CB 4.45Å; Y69-D86 HydrophobicContact CE2-CB 4.06Å
70	T	94.8	Very high	88.2	Confident	15 Å²	15	68.6 Å²	68.6	9%	0.092	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	130.6	177.2	-61	0	0	0	0	110.6	K81 L82	T70-K81 HydrophobicContact CG2-CD 4.25Å; T70-K81 HydrophobicContact CG2-CG 4Å; T70-L82 CarbonylContact C-O 3.53Å; T70-L82 VanDerWaalsContact CA-O 3.28Å; T70-L82 WeakPolarHBondContact CA-O 3.31Å
71	K	94.3	Very high	88.9	Confident	28 Å²	28	65.8 Å²	65.8	12%	0.122	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	137.2	175.7	-177.3	143.4	-176.1	165.4	0	111.8	F52 V53 L82	F52-K71 HydrophobicContact CD1-CD 4.49Å; F52-K71 HydrophobicContact CE1-CB 4.18Å; F52-K71 HydrophobicContact CE1-CD 4.13Å; F52-K71 HydrophobicContact CE1-CG 4.34Å; F52-K71 HydrophobicContact CZ-CD 4.19Å; F52-K71 HydrophobicContact CZ-CG 4.37Å; F52-K71 PolarHBondContact O-NZ 3.21Å; V53-K71 HydrophobicContact CG2-CB 4.47Å; V53-K71 PolarHBondContact O-NZ 2.73Å; K71-L82 PolarHBondContact N-O 2.59Å; K71-L82 PolarHBondContact O-N 3.33Å
72	Q	94.6	Very high	90.1	Very high	106 Å²	106	58.8 Å²	58.8	50%	0.495	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	138.6	166.2	-66.5	-174.9	53.1	0	0	109.4	V10 C80	V10-Q72 HydrophobicContact CG2-CB 4.07Å; Q72-C80 WeakPolarHBondContact CA-O 3.49Å
73	M	93.1	Very high	90.9	Very high	18 Å²	18	54 Å²	54	9%	0.089	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	161.9	176.6	67.8	178.7	-57.4	0	0	110.7	F52 V75 I79 C80 L82 H188 V191	F52-M73 HydrophobicContact CZ-SD 3.95Å; M73-V75 HydrophobicContact CE-CG2 3.46Å; M73-V75 VanDerWaalsContact CE-CG2 3.46Å; M73-V75 HydrophobicContact CG-CG2 4.04Å; M73-V75 HydrophobicContact SD-CG2 3.87Å; M73-I79 WeakPolarHBondContact O-CA 3.42Å; M73-C80 WeakPolarHBondContact CG-SG 3.41Å; M73-C80 PolarHBondContact N-O 3.27Å; M73-C80 PolarHBondContact O-N 3.28Å; M73-L82 HydrophobicContact CG-CD1 4.14Å; M73-L82 HydrophobicContact CG-CG 4.2Å; M73-L82 HydrophobicContact SD-CD1 3.22Å; M73-L82 WeakPolarHBondContact SD-CD1 3.3Å; M73-L82 HydrophobicContact SD-CD2 4.43Å; M73-L82 HydrophobicContact SD-CG 3.89Å; M73-H188 HydrophobicContact CE-CB 4.43Å; M73-H188 WeakPolarHBondContact CE-CD2 3.39Å; M73-H188 VanDerWaalsContact CE-CE1 3.42Å; M73-H188 WeakPolarHBondContact CE-CE1 3.28Å; M73-H188 VanDerWaalsContact CE-CG 3.49Å; M73-H188 WeakPolarHBondContact CE-NE2 3.43Å; M73-V191 HydrophobicContact SD-CG2 4.44Å
74	I	94.3	Very high	91.7	Very high	91 Å²	91	50 Å²	50	47%	0.467	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	117.6	175.3	-59.1	173.9	0	0	0	107.7	E78 I79 H188	I74-E78 WeakPolarHBondContact CA-O 3.46Å; I74-I79 HydrophobicContact CG1-CG1 4.02Å; I74-H188 PolarHBondContact O-CE1 3.45Å
75	V	94.6	Very high	92.6	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	118.6	173.4	-178.1	0	0	0	0	107.6	M73 G77 E78 V191 R192 R195	M73-V75 HydrophobicContact CE-CG2 3.46Å; M73-V75 VanDerWaalsContact CE-CG2 3.46Å; M73-V75 HydrophobicContact CG-CG2 4.04Å; M73-V75 HydrophobicContact SD-CG2 3.87Å; V75-G77 VanDerWaalsContact C-N 3.29Å; V75-G77 PolarHBondContact O-N 2.92Å; V75-E78 PolarHBondContact N-O 2.98Å; V75-E78 PolarHBondContact O-N 3.21Å; V75-V191 HydrophobicContact CB-CG1 4.04Å; V75-V191 HydrophobicContact CG1-CB 4.43Å; V75-V191 HydrophobicContact CG1-CG1 4.02Å; V75-V191 HydrophobicContact CG2-CB 4.12Å; V75-V191 HydrophobicContact CG2-CG1 3.86Å; V75-V191 HydrophobicContact CG2-CG2 4.47Å; V75-R192 HydrophobicContact CG1-CG 3.97Å; V75-R195 PolarHBondContact O-NH1 3.17Å
76	D	94.2	Very high	93.3	Very high	101 Å²	101	42.7 Å²	42.7	54%	0.54	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	44.3	177.4	-47.7	-34.5	0	0	0	112.9	E78 R192	D76-E78 VanDerWaalsContact C-N 3.28Å; D76-E78 PolarHBondContact O-N 3Å; D76-R192 IonicContact OD1-CZ 3.61Å; D76-R192 IonicContact OD1-NE 3.75Å; D76-R192 PolarHBondContact OD1-NE 3.48Å; D76-R192 IonicContact OD1-NH2 3.3Å; D76-R192 PolarHBondContact OD1-NH2 2.89Å; D76-R192 WeakPolarHBondContact OD2-CG 3.5Å; D76-R192 IonicContact OD2-NE 3.82Å; D76-R192 PolarHBondContact OD2-NE 3.41Å
77	G	92.7	Very high	93.6	Very high	72 Å²	72	39.9 Å²	39.9	74%	0.742	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.3	-4.8	179.5	0	0	0	0	0	115.2	V75	V75-G77 VanDerWaalsContact C-N 3.29Å; V75-G77 PolarHBondContact O-N 2.92Å
78	E	93.1	Very high	93.3	Very high	48 Å²	48	38.2 Å²	38.2	22%	0.224	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	128.7	-177.9	-59.1	-165.3	137.9	0	0	112.3	R28 I74 V75 D76 C80 R195	R28-E78 WeakPolarHBondContact CD-OE1 3.46Å; R28-E78 IonicContact CZ-OE1 3.36Å; R28-E78 IonicContact NE-OE1 3.51Å; R28-E78 IonicContact NH1-OE1 2.73Å; R28-E78 PolarHBondContact NH1-OE1 3.03Å; R28-E78 IonicContact NH1-OE2 2.79Å; I74-E78 WeakPolarHBondContact CA-O 3.46Å; V75-E78 PolarHBondContact N-O 2.98Å; V75-E78 PolarHBondContact O-N 3.21Å; D76-E78 VanDerWaalsContact C-N 3.28Å; D76-E78 PolarHBondContact O-N 3Å; E78-C80 PolarHBondContact O-N 3.42Å; E78-R195 IonicContact OE2-CZ 3.07Å; E78-R195 IonicContact OE2-NE 2.73Å; E78-R195 IonicContact OE2-NH1 3.09Å; E78-R195 IonicContact OE2-NH2 3.31Å; E78-R195 PolarHBondContact OE2-NH2 3.04Å
79	I	93.8	Very high	92.2	Very high	111 Å²	111	37.2 Å²	37.2	57%	0.569	21%	0.209	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-70	125.9	173.2	-59	168.6	0	0	0	109	M73 I74	M73-I79 WeakPolarHBondContact O-CA 3.42Å; I74-I79 HydrophobicContact CG1-CG1 4.02Å
80	C	93.9	Very high	90.7	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.014	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	151.9	170.7	62.2	0	0	0	0	111.3	C31 Y33 Q72 M73 E78	C31-C80 HydrophobicContact CB-CB 4.11Å; C31-C80 WeakPolarHBondContact O-CA 3.48Å; C31-C80 WeakPolarHBondContact O-CB 3.38Å; Y33-C80 HydrophobicContact CD2-CB 3.91Å; Y33-C80 HydrophobicContact CE2-CB 3.69Å; Q72-C80 WeakPolarHBondContact CA-O 3.49Å; M73-C80 WeakPolarHBondContact CG-SG 3.41Å; M73-C80 PolarHBondContact N-O 3.27Å; M73-C80 PolarHBondContact O-N 3.28Å; E78-C80 PolarHBondContact O-N 3.42Å
81	K	95.9	Very high	89.1	Confident	83 Å²	83	43.4 Å²	43.4	36%	0.361	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	119.8	174.4	-177.5	175.6	178.3	-177.1	0	108.4	C31 H32 Y33 T70	C31-K81 PolarHBondContact O-N 3.42Å; H32-K81 CarbonylContact C-O 3.56Å; H32-K81 VanDerWaalsContact CA-O 3.31Å; H32-K81 WeakPolarHBondContact CA-O 3.42Å; Y33-K81 PolarHBondContact N-O 2.85Å; T70-K81 HydrophobicContact CG2-CD 4.25Å; T70-K81 HydrophobicContact CG2-CG 4Å
82	L	96.7	Very high	87.2	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	134.6	175.9	-54.4	-168.3	0	0	0	110.3	Y33 L35 F52 T70 K71 M73 V84 V191	Y33-L82 HydrophobicContact CD2-CD2 3.86Å; Y33-L82 HydrophobicContact CG-CD2 4.36Å; Y33-L82 CarbonylContact O-C 3.53Å; Y33-L82 WeakPolarHBondContact O-CA 3.33Å; L35-L82 HydrophobicContact CD1-CD1 3.76Å; L35-L82 HydrophobicContact CD1-CD2 4.12Å; L35-L82 HydrophobicContact CD1-CG 4.39Å; F52-L82 HydrophobicContact CE1-CD1 3.93Å; F52-L82 HydrophobicContact CZ-CD1 3.83Å; T70-L82 CarbonylContact C-O 3.53Å; T70-L82 VanDerWaalsContact CA-O 3.28Å; T70-L82 WeakPolarHBondContact CA-O 3.31Å; K71-L82 PolarHBondContact N-O 2.59Å; K71-L82 PolarHBondContact O-N 3.33Å; M73-L82 HydrophobicContact CG-CD1 4.14Å; M73-L82 HydrophobicContact CG-CG 4.2Å; M73-L82 HydrophobicContact SD-CD1 3.22Å; M73-L82 WeakPolarHBondContact SD-CD1 3.3Å; M73-L82 HydrophobicContact SD-CD2 4.43Å; M73-L82 HydrophobicContact SD-CG 3.89Å; L82-V84 HydrophobicContact CB-CG2 4.21Å; L82-V191 HydrophobicContact CD1-CG2 4.18Å; L82-V191 HydrophobicContact CD2-CG2 3.59Å
83	D	96.1	Very high	85.6	Confident	35 Å²	35	50.5 Å²	50.5	19%	0.187	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	104.2	163.5	-175.5	12.5	0	0	0	107.4	Y33 R34 L35 S68 Y69	Y33-D83 PolarHBondContact O-N 3.14Å; R34-D83 CarbonylContact C-O 3.57Å; R34-D83 VanDerWaalsContact CA-O 3.29Å; R34-D83 WeakPolarHBondContact CA-O 3.42Å; L35-D83 PolarHBondContact N-O 2.91Å; S68-D83 PolarHBondContact OG-OD1 3.39Å; Y69-D83 CarbonylContact O-C 3.59Å
84	V	96.2	Very high	84.4	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	114.8	-176.5	-174	0	0	0	0	108.5	L35 V37 T49 F52 S68 Y69 L82 F187	L35-V84 CarbonylContact O-C 3.59Å; L35-V84 WeakPolarHBondContact O-CA 3.42Å; V37-V84 HydrophobicContact CG2-CG1 3.8Å; T49-V84 HydrophobicContact CG2-CB 4.27Å; T49-V84 HydrophobicContact CG2-CG1 3.7Å; F52-V84 HydrophobicContact CD1-CG2 4.46Å; F52-V84 HydrophobicContact CE1-CG2 4.28Å; S68-V84 WeakPolarHBondContact CA-O 3.37Å; Y69-V84 PolarHBondContact N-O 3.32Å; Y69-V84 PolarHBondContact O-N 3.05Å; L82-V84 HydrophobicContact CB-CG2 4.21Å; V84-F187 HydrophobicContact CG1-CE1 3.9Å; V84-F187 HydrophobicContact CG1-CZ 4.4Å; V84-F187 HydrophobicContact CG2-CD1 4.45Å; V84-F187 HydrophobicContact CG2-CE1 4.1Å
85	L	94.6	Very high	83.2	Confident	20 Å²	20	52.6 Å²	52.6	11%	0.105	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	115.2	172.9	-170.1	70.3	0	0	0	109.7	L35 I36 V37 E66 T87 Y100	L35-L85 PolarHBondContact O-N 3.41Å; I36-L85 HydrophobicContact CD1-CB 3.58Å; I36-L85 HydrophobicContact CD1-CD2 3.83Å; I36-L85 HydrophobicContact CD1-CG 4.36Å; I36-L85 HydrophobicContact CG2-CD2 4.4Å; V37-L85 PolarHBondContact N-O 3.45Å; E66-L85 HydrophobicContact CG-CD1 3.68Å; E66-L85 HydrophobicContact CG-CG 4.42Å; L85-T87 HydrophobicContact CD2-CG2 4.33Å; L85-T87 HydrophobicContact CG-CG2 4.42Å; L85-Y100 VanDerWaalsContact CD2-CB 3.43Å; L85-Y100 HydrophobicContact CD2-CD1 4.36Å; L85-Y100 HydrophobicContact CD2-CG 4.07Å
86	D	92	Very high	82.2	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	121.7	169.2	-173.3	32.1	0	0	0	109.5	K45 S46 T49 T64 E66 D67 Y69	K45-D86 WeakPolarHBondContact CB-OD1 3.49Å; S46-D86 WeakPolarHBondContact CA-OD2 3.39Å; S46-D86 WeakPolarHBondContact CB-OD2 3.28Å; S46-D86 PolarHBondContact N-OD1 3.11Å; S46-D86 PolarHBondContact OG-OD1 2.83Å; S46-D86 PolarHBondContact OG-OD2 3.08Å; T49-D86 HydrophobicContact CG2-CB 4.33Å; T64-D86 WeakPolarHBondContact CG2-OD2 3.36Å; E66-D86 WeakPolarHBondContact CA-O 3.49Å; D67-D86 PolarHBondContact N-O 3.17Å; D67-D86 PolarHBondContact O-N 2.89Å; Y69-D86 HydrophobicContact CD2-CB 4.45Å; Y69-D86 HydrophobicContact CE2-CB 4.06Å
87	T	88.6	Confident	81.5	Confident	3 Å²	3	54.2 Å²	54.2	2%	0.018	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	155.7	-173.5	60.3	0	0	0	0	111.6	I36 V37 K45 L85 E91 Y100	I36-T87 HydrophobicContact CG2-CG2 3.92Å; V37-T87 WeakPolarHBondContact O-CG2 3.15Å; V37-T87 PolarHBondContact O-OG1 3.06Å; K45-T87 WeakPolarHBondContact CE-O 3.47Å; L85-T87 HydrophobicContact CD2-CG2 4.33Å; L85-T87 HydrophobicContact CG-CG2 4.42Å; T87-E91 WeakPolarHBondContact CB-OE1 3.47Å; T87-Y100 HydrophobicContact CG2-CD1 4.23Å; T87-Y100 HydrophobicContact CG2-CD2 4.47Å; T87-Y100 HydrophobicContact CG2-CE1 3.97Å; T87-Y100 HydrophobicContact CG2-CE2 4.26Å; T87-Y100 HydrophobicContact CG2-CG 4.44Å
88	A	81.6	Confident	81.2	Confident	21 Å²	21	53.9 Å²	53.9	17%	0.174	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-62.1	144.7	166.5	0	0	0	0	0	110.2	T64 I65 Q90 E91	T64-A88 WeakPolarHBondContact O-CA 3.44Å; T64-A88 WeakPolarHBondContact O-CB 3.34Å; I65-A88 WeakPolarHBondContact O-CB 3.33Å; I65-A88 PolarHBondContact O-N 3.43Å; A88-Q90 VanDerWaalsContact C-N 3.32Å; A88-E91 HydrophobicContact CB-CG 4.04Å
89	G	66.5	Low	80.9	Confident	14 Å²	14	58.1 Å²	58.1	14%	0.144	30%	0.3	C	S	.	.	S	Bend	trans	-81.3	-9.3	175.8	0	0	0	0	0	115.6	N40 G41	N40-G89 CarbonylContact C-O 3.46Å; G41-G89 PolarHBondContact N-O 3.1Å; G41-G89 VanDerWaalsContact N-O 3.08Å
90	Q	63.2	Low	80.7	Confident	142 Å²	142	53.4 Å²	53.4	66%	0.664	28%	0.276	S	S	*	.			trans	-125.1	61.8	179.4	-71.3	-167	-16.4	0	0	110.1	A88 E92	A88-Q90 VanDerWaalsContact C-N 3.32Å; Q90-E92 VanDerWaalsContact C-N 3.3Å; Q90-E92 PolarHBondContact O-N 3.44Å
91	E	60.6	Low	80.6	Confident	16 Å²	16	53.3 Å²	53.3	8%	0.075	28%	0.275	C	S	.	.			trans	-76.7	88.9	174.4	-66.4	-169.6	-170.5	0	0	109.9	T87 A88 F93 R97 Y100	T87-E91 WeakPolarHBondContact CB-OE1 3.47Å; A88-E91 HydrophobicContact CB-CG 4.04Å; E91-F93 PolarHBondContact O-N 3.38Å; E91-R97 HydrophobicContact CB-CG 3.91Å; E91-R97 VanDerWaalsContact O-CZ 3.27Å; E91-R97 PolarHBondContact O-NE 3.14Å; E91-R97 PolarHBondContact O-NH2 2.98Å; E91-R97 WeakPolarHBondContact OE2-CG 3.34Å; E91-Y100 VanDerWaalsContact CD-CE1 3.5Å; E91-Y100 VanDerWaalsContact CD-OH 3.24Å; E91-Y100 WeakPolarHBondContact OE1-CE1 2.93Å; E91-Y100 PolarHBondContact OE1-OH 2.88Å; E91-Y100 WeakPolarHBondContact OE2-CE1 3.32Å; E91-Y100 VanDerWaalsContact OE2-CZ 3.28Å; E91-Y100 PolarHBondContact OE2-OH 2.87Å
92	E	54.4	Low	80.4	Confident	150 Å²	150	56.2 Å²	56.2	70%	0.701	28%	0.283	S	S	*	.			trans	-65.9	-11	173	-68.2	143.3	-176.6	0	0	112	Q90	Q90-E92 VanDerWaalsContact C-N 3.3Å; Q90-E92 PolarHBondContact O-N 3.44Å
93	F	62.5	Low	80.2	Confident	134 Å²	134	56.8 Å²	56.8	59%	0.588	29%	0.29	S	S	*	.			trans	-105.4	99	178.7	-60.2	-74.2	0	0	0	111.4	E91 A95 M96 R97	E91-F93 PolarHBondContact O-N 3.38Å; F93-A95 PolarHBondContact O-N 3.47Å; F93-A95 VanDerWaalsContact O-N 3.13Å; F93-M96 HydrophobicContact CB-CB 4.36Å; F93-M96 HydrophobicContact CB-CG 4.08Å; F93-M96 HydrophobicContact CB-SD 4.31Å; F93-M96 PolarHBondContact O-N 3.35Å; F93-R97 PolarHBondContact O-N 3.2Å
94	S	66.3	Low	80.2	Confident	79 Å²	79	55.1 Å²	55.1	55%	0.552	28%	0.281	S	S	*	.	H	α-helix	trans	-51.5	-34.6	174.5	55.6	0	0	0	0	113.3	M96 R97 E98	S94-M96 VanDerWaalsContact C-N 3.35Å; S94-M96 PolarHBondContact O-N 2.91Å; S94-R97 WeakPolarHBondContact O-CB 3.35Å; S94-R97 PolarHBondContact O-N 2.93Å; S94-E98 PolarHBondContact O-N 3.12Å
95	A	69.7	Low	80.3	Confident	73 Å²	73	57 Å²	57	60%	0.603	29%	0.291	S	S	*	.	H	α-helix	trans	-64.7	-34.8	178.5	0	0	0	0	0	113.4	F93 H99	F93-A95 PolarHBondContact O-N 3.47Å; F93-A95 VanDerWaalsContact O-N 3.13Å; A95-H99 PolarHBondContact O-N 3.45Å
96	M	72.8	Confident	80.4	Confident	91 Å²	91	56 Å²	56	45%	0.448	29%	0.286	S	S	.	.	H	α-helix	trans	-69.1	-39.7	175.3	-69.9	-173.4	65.6	0	0	110.6	F93 S94 E98 H99 Y100	F93-M96 HydrophobicContact CB-CB 4.36Å; F93-M96 HydrophobicContact CB-CG 4.08Å; F93-M96 HydrophobicContact CB-SD 4.31Å; F93-M96 PolarHBondContact O-N 3.35Å; S94-M96 VanDerWaalsContact C-N 3.35Å; S94-M96 PolarHBondContact O-N 2.91Å; M96-E98 VanDerWaalsContact C-N 3.33Å; M96-E98 PolarHBondContact O-N 2.96Å; M96-H99 WeakPolarHBondContact O-CB 3.31Å; M96-H99 PolarHBondContact O-N 3.29Å; M96-Y100 VanDerWaalsContact O-CD1 3.26Å; M96-Y100 WeakPolarHBondContact O-CD1 3.3Å; M96-Y100 WeakPolarHBondContact O-CE1 3.17Å
97	R	81.1	Confident	80.7	Confident	45 Å²	45	56 Å²	56	17%	0.17	29%	0.286	C	S	.	.	H	α-helix	trans	-54.1	-49.8	176	-61.1	-172.7	-177.4	-162.8	-0.1	112.2	E91 F93 S94 H99 Y100 M101	E91-R97 HydrophobicContact CB-CG 3.91Å; E91-R97 VanDerWaalsContact O-CZ 3.27Å; E91-R97 PolarHBondContact O-NE 3.14Å; E91-R97 PolarHBondContact O-NH2 2.98Å; E91-R97 WeakPolarHBondContact OE2-CG 3.34Å; F93-R97 PolarHBondContact O-N 3.2Å; S94-R97 WeakPolarHBondContact O-CB 3.35Å; S94-R97 PolarHBondContact O-N 2.93Å; R97-H99 PolarHBondContact O-N 3.12Å; R97-Y100 VanDerWaalsContact CA-CE1 3.48Å; R97-Y100 VanDerWaalsContact CA-CZ 3.42Å; R97-Y100 WeakPolarHBondContact CA-OH 3.26Å; R97-Y100 HydrophobicContact CB-CE1 4.5Å; R97-Y100 WeakPolarHBondContact CG-OH 3.2Å; R97-Y100 WeakPolarHBondContact O-CD2 3.43Å; R97-Y100 WeakPolarHBondContact O-CE2 3.43Å; R97-M101 HydrophobicContact CB-CE 4.26Å; R97-M101 WeakPolarHBondContact O-CB 3.29Å; R97-M101 WeakPolarHBondContact O-CG 3.45Å; R97-M101 PolarHBondContact O-N 3.38Å; R97-M101 VanDerWaalsContact O-N 3.13Å
98	E	85.9	Confident	81.2	Confident	64 Å²	64	56 Å²	56	30%	0.299	29%	0.286	S	S	.	.	H	α-helix	trans	-64.7	-28.8	-179.2	-65	-169.8	-176.6	0	0	113.3	S94 M96 R102 V132	S94-E98 PolarHBondContact O-N 3.12Å; M96-E98 VanDerWaalsContact C-N 3.33Å; M96-E98 PolarHBondContact O-N 2.96Å; E98-R102 WeakPolarHBondContact O-CB 3.46Å; E98-R102 PolarHBondContact O-N 3.34Å; E98-R102 PolarHBondContact O-NH1 2.87Å; E98-R102 IonicContact OE2-NH2 3.18Å; E98-V132 HydrophobicContact CB-CG2 4.19Å; E98-V132 HydrophobicContact CG-CG2 3.8Å
99	H	87.1	Confident	81.9	Confident	137 Å²	137	55 Å²	55	63%	0.634	28%	0.278	S	S	*	.	H	α-helix	trans	-64.3	-54.4	-177.8	-176.9	74.9	0	0	0	111.9	A95 M96 R97 R102 G103	A95-H99 PolarHBondContact O-N 3.45Å; M96-H99 WeakPolarHBondContact O-CB 3.31Å; M96-H99 PolarHBondContact O-N 3.29Å; R97-H99 PolarHBondContact O-N 3.12Å; H99-R102 PolarHBondContact O-N 2.92Å; H99-G103 PolarHBondContact O-N 3.36Å
100	Y	88.4	Confident	83.4	Confident	13 Å²	13	54.4 Å²	54.4	5%	0.051	27%	0.271	C	S	.	.	H	α-helix	trans	-72.9	-30.9	177.4	56.4	-106.7	0	0	0	112.3	I36 V38 L85 T87 E91 M96 R97 R102 G103 G104	I36-Y100 HydrophobicContact CG2-CD2 3.59Å; I36-Y100 HydrophobicContact CG2-CE2 4.1Å; I36-Y100 HydrophobicContact CG2-CG 4.19Å; V38-Y100 HydrophobicContact CG1-CE2 3.88Å; L85-Y100 VanDerWaalsContact CD2-CB 3.43Å; L85-Y100 HydrophobicContact CD2-CD1 4.36Å; L85-Y100 HydrophobicContact CD2-CG 4.07Å; T87-Y100 HydrophobicContact CG2-CD1 4.23Å; T87-Y100 HydrophobicContact CG2-CD2 4.47Å; T87-Y100 HydrophobicContact CG2-CE1 3.97Å; T87-Y100 HydrophobicContact CG2-CE2 4.26Å; T87-Y100 HydrophobicContact CG2-CG 4.44Å; E91-Y100 VanDerWaalsContact CD-CE1 3.5Å; E91-Y100 VanDerWaalsContact CD-OH 3.24Å; E91-Y100 WeakPolarHBondContact OE1-CE1 2.93Å; E91-Y100 PolarHBondContact OE1-OH 2.88Å; E91-Y100 WeakPolarHBondContact OE2-CE1 3.32Å; E91-Y100 VanDerWaalsContact OE2-CZ 3.28Å; E91-Y100 PolarHBondContact OE2-OH 2.87Å; M96-Y100 VanDerWaalsContact O-CD1 3.26Å; M96-Y100 WeakPolarHBondContact O-CD1 3.3Å; M96-Y100 WeakPolarHBondContact O-CE1 3.17Å; R97-Y100 VanDerWaalsContact CA-CE1 3.48Å; R97-Y100 VanDerWaalsContact CA-CZ 3.42Å; R97-Y100 WeakPolarHBondContact CA-OH 3.26Å; R97-Y100 HydrophobicContact CB-CE1 4.5Å; R97-Y100 WeakPolarHBondContact CG-OH 3.2Å; R97-Y100 WeakPolarHBondContact O-CD2 3.43Å; R97-Y100 WeakPolarHBondContact O-CE2 3.43Å; Y100-R102 VanDerWaalsContact C-N 3.31Å; Y100-R102 PolarHBondContact O-N 3.31Å; Y100-G103 CarbonylContact O-C 3.56Å; Y100-G103 PolarHBondContact O-N 3.06Å; Y100-G103 VanDerWaalsContact O-N 3.11Å; Y100-G104 PolarHBondContact O-N 3.5Å
101	M	91.9	Very high	85.1	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61.7	-42.2	175.8	-74.4	178.2	-174.9	0	0	110.8	R97 G103 G104 F107 F125 Q128 I129 V132 K133	R97-M101 HydrophobicContact CB-CE 4.26Å; R97-M101 WeakPolarHBondContact O-CB 3.29Å; R97-M101 WeakPolarHBondContact O-CG 3.45Å; R97-M101 PolarHBondContact O-N 3.38Å; R97-M101 VanDerWaalsContact O-N 3.13Å; M101-G103 PolarHBondContact O-N 3.08Å; M101-G104 PolarHBondContact O-N 2.98Å; M101-F107 HydrophobicContact CB-CE1 4.29Å; M101-F107 HydrophobicContact CB-CZ 4.33Å; M101-F107 HydrophobicContact CG-CE1 4.01Å; M101-F107 HydrophobicContact CG-CZ 4.47Å; M101-F107 WeakPolarHBondContact O-CZ 3.31Å; M101-F125 HydrophobicContact CE-CD1 4.23Å; M101-Q128 HydrophobicContact CE-CB 4.23Å; M101-Q128 HydrophobicContact CE-CG 4.11Å; M101-Q128 HydrophobicContact SD-CB 4.12Å; M101-Q128 HydrophobicContact SD-CG 3.66Å; M101-I129 HydrophobicContact CE-CG1 4.05Å; M101-I129 HydrophobicContact CG-CG1 4.13Å; M101-I129 HydrophobicContact SD-CG1 4Å; M101-V132 HydrophobicContact CB-CB 4.05Å; M101-V132 HydrophobicContact CB-CG1 3.73Å; M101-V132 HydrophobicContact CB-CG2 4.29Å; M101-V132 HydrophobicContact SD-CG2 4.28Å; M101-K133 WeakPolarHBondContact O-CE 3.48Å; M101-K133 PolarHBondContact O-NZ 3.47Å; M101-K133 VanDerWaalsContact O-NZ 3.12Å
102	R	93.3	Very high	86.9	Confident	143 Å²	143	47 Å²	47	54%	0.54	24%	0.236	S	C	.	.	H	α-helix	trans	-59.5	-38.1	176.1	-167.6	173.2	-67.1	101.2	-0.1	111.6	E98 H99 Y100 V132 K133	E98-R102 WeakPolarHBondContact O-CB 3.46Å; E98-R102 PolarHBondContact O-N 3.34Å; E98-R102 PolarHBondContact O-NH1 2.87Å; E98-R102 IonicContact OE2-NH2 3.18Å; H99-R102 PolarHBondContact O-N 2.92Å; Y100-R102 VanDerWaalsContact C-N 3.31Å; Y100-R102 PolarHBondContact O-N 3.31Å; R102-V132 HydrophobicContact CB-CG1 3.97Å; R102-K133 PolarHBondContact O-NZ 2.96Å
103	G	92.6	Very high	89	Confident	13 Å²	13	39.8 Å²	39.8	13%	0.134	20%	0.203	C	C	.	.	H	α-helix	trans	-81.4	-31.6	-178.1	0	0	0	0	0	116.7	R34 H99 Y100 M101 D105	R34-G103 VanDerWaalsContact CZ-C 3.41Å; R34-G103 PolarHBondContact NE-O 3.36Å; R34-G103 PolarHBondContact NH2-O 3Å; H99-G103 PolarHBondContact O-N 3.36Å; Y100-G103 CarbonylContact O-C 3.56Å; Y100-G103 PolarHBondContact O-N 3.06Å; Y100-G103 VanDerWaalsContact O-N 3.11Å; M101-G103 PolarHBondContact O-N 3.08Å; G103-D105 PolarHBondContact O-N 3.44Å
104	G	95.7	Very high	90.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.185	C	C	.	.			trans	-64.1	128.2	-170.6	0	0	0	0	0	113.3	R34 Y100 M101 G106 K133 Y138	R34-G104 CarbonylContact O-C 3.59Å; Y100-G104 PolarHBondContact O-N 3.5Å; M101-G104 PolarHBondContact O-N 2.98Å; G104-G106 VanDerWaalsContact C-N 3.3Å; G104-K133 WeakPolarHBondContact O-CE 3.47Å; G104-K133 PolarHBondContact O-NZ 2.91Å; G104-Y138 WeakPolarHBondContact O-CE1 3.34Å; G104-Y138 PolarHBondContact O-OH 3Å
105	D	97.3	Very high	92.1	Very high	39 Å²	39	33.7 Å²	33.7	21%	0.209	17%	0.171	C	C	.	.	S	Bend	trans	-74.9	-24.6	173.6	-63	-49.1	0	0	0	111.8	Y33 R34 G103 Y138 V194	Y33-D105 WeakPolarHBondContact CA-OD2 3.38Å; R34-D105 PolarHBondContact N-OD2 2.93Å; R34-D105 PolarHBondContact O-N 3.19Å; G103-D105 PolarHBondContact O-N 3.44Å; D105-Y138 VanDerWaalsContact O-CE1 3.31Å; D105-Y138 WeakPolarHBondContact O-CE1 3.31Å; D105-V194 HydrophobicContact CB-CG1 4.02Å; D105-V194 WeakPolarHBondContact O-CG2 3.31Å
106	G	97.9	Very high	93.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	159.9	173.9	0	0	0	0	0	112.1	L35 I36 G104 P139	L35-G106 WeakPolarHBondContact CA-O 3.35Å; I36-G106 PolarHBondContact N-O 3.09Å; G104-G106 VanDerWaalsContact C-N 3.3Å; G106-P139 VanDerWaalsContact CA-O 3.29Å; G106-P139 WeakPolarHBondContact CA-O 3.24Å
107	F	97.9	Very high	94.6	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	139.6	-173.5	-56.4	-95.3	0	0	0	112.9	I36 V38 M101 L109 I129 Y138 P139 M140 V141	I36-F107 HydrophobicContact CB-CD1 3.7Å; I36-F107 HydrophobicContact CB-CE1 3.84Å; I36-F107 HydrophobicContact CG1-CD1 4.15Å; I36-F107 HydrophobicContact CG1-CE1 3.8Å; I36-F107 HydrophobicContact CG2-CD1 4.31Å; I36-F107 HydrophobicContact CG2-CE1 4.37Å; I36-F107 CarbonylContact O-C 3.6Å; I36-F107 VanDerWaalsContact O-CA 3.31Å; I36-F107 WeakPolarHBondContact O-CA 3.33Å; V38-F107 HydrophobicContact CG1-CD1 4.49Å; M101-F107 HydrophobicContact CB-CE1 4.29Å; M101-F107 HydrophobicContact CB-CZ 4.33Å; M101-F107 HydrophobicContact CG-CE1 4.01Å; M101-F107 HydrophobicContact CG-CZ 4.47Å; M101-F107 WeakPolarHBondContact O-CZ 3.31Å; F107-L109 HydrophobicContact CB-CD1 3.77Å; F107-I129 HydrophobicContact CB-CD1 3.86Å; F107-I129 HydrophobicContact CD1-CD1 3.78Å; F107-I129 HydrophobicContact CD1-CG1 4.04Å; F107-I129 HydrophobicContact CD2-CD1 4.15Å; F107-I129 HydrophobicContact CD2-CG1 4.36Å; F107-I129 HydrophobicContact CD2-CG2 3.59Å; F107-I129 HydrophobicContact CE1-CD1 4.44Å; F107-I129 HydrophobicContact CE1-CG1 4.2Å; F107-I129 HydrophobicContact CE2-CG1 4.48Å; F107-I129 HydrophobicContact CE2-CG2 3.52Å; F107-I129 HydrophobicContact CG-CD1 3.64Å; F107-I129 HydrophobicContact CG-CG1 4.15Å; F107-I129 HydrophobicContact CG-CG2 4.22Å; F107-I129 HydrophobicContact CZ-CG1 4.43Å; F107-I129 HydrophobicContact CZ-CG2 4.1Å; F107-Y138 AromaticContact CD2-CD1 3.83Å; F107-Y138 HydrophobicContact CD2-CD1 3.83Å; F107-Y138 HydrophobicContact CD2-CE1 4.13Å; F107-Y138 AromaticContact CE2-CD1 3.55Å; F107-Y138 HydrophobicContact CE2-CD1 3.55Å; F107-Y138 AromaticContact CE2-CE1 3.56Å; F107-Y138 HydrophobicContact CE2-CE1 3.56Å; F107-P139 PolarHBondContact N-O 3.26Å; F107-M140 HydrophobicContact CB-CG 4.13Å; F107-M140 HydrophobicContact CD2-CG 4.39Å; F107-M140 CarbonylContact O-C 3.58Å; F107-M140 VanDerWaalsContact O-CA 3.26Å; F107-M140 WeakPolarHBondContact O-CA 3.45Å; F107-V141 PolarHBondContact O-N 3.07Å
108	V	98.1	Very high	95.3	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.012	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	115.1	168.2	-173.1	0	0	0	0	107.7	I36 V37 V38 V110 V143 V186 F187 L190	I36-V108 PolarHBondContact O-N 2.78Å; V37-V108 HydrophobicContact CG1-CB 4.32Å; V37-V108 HydrophobicContact CG2-CB 4.33Å; V37-V108 HydrophobicContact CG2-CG2 4.44Å; V38-V108 WeakPolarHBondContact CG2-O 3.41Å; V38-V108 PolarHBondContact N-O 2.94Å; V108-V110 HydrophobicContact CG1-CG2 3.71Å; V108-V143 HydrophobicContact CG1-CB 4.24Å; V108-V143 HydrophobicContact CG1-CG2 3.46Å; V108-V143 VanDerWaalsContact CG1-CG2 3.46Å; V108-V186 HydrophobicContact CG1-CG1 3.79Å; V108-V186 HydrophobicContact CG2-CG1 4.15Å; V108-F187 HydrophobicContact CG2-CE1 4.38Å; V108-L190 HydrophobicContact CG2-CD2 3.51Å
109	L	97.3	Very high	95.9	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	101.2	179.8	-78.1	71.9	0	0	0	108.4	V38 F107 L122 H126 I129 M140 V141 I142 V143	V38-L109 HydrophobicContact CG2-CD1 4.22Å; V38-L109 HydrophobicContact CG2-CG 4Å; F107-L109 HydrophobicContact CB-CD1 3.77Å; L109-L122 HydrophobicContact CB-CD2 4.15Å; L109-H126 HydrophobicContact CD2-CB 4.16Å; L109-I129 HydrophobicContact CD1-CD1 4.04Å; L109-M140 HydrophobicContact CD1-CB 3.99Å; L109-M140 HydrophobicContact CD1-CG 3.95Å; L109-M140 HydrophobicContact CD1-SD 4Å; L109-M140 HydrophobicContact CD2-SD 4.42Å; L109-V141 PolarHBondContact N-O 2.95Å; L109-I142 HydrophobicContact CB-CG1 4.44Å; L109-V143 PolarHBondContact O-N 3.43Å
110	V	97.9	Very high	96.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	130.5	-172.7	-170.3	0	0	0	0	110.8	V37 V38 G39 V43 K45 L48 V108 V143 N145	V37-V110 HydrophobicContact CG1-CG2 3.6Å; V38-V110 PolarHBondContact O-N 3.05Å; G39-V110 WeakPolarHBondContact CA-O 3.46Å; V43-V110 HydrophobicContact CB-CG1 4.25Å; V43-V110 HydrophobicContact CG2-CB 3.99Å; V43-V110 HydrophobicContact CG2-CG1 3.77Å; K45-V110 HydrophobicContact CG-CB 4.28Å; K45-V110 HydrophobicContact CG-CG2 4.42Å; L48-V110 HydrophobicContact CD1-CG1 3.72Å; L48-V110 HydrophobicContact CD1-CG2 3.96Å; V108-V110 HydrophobicContact CG1-CG2 3.71Å; V110-V143 WeakPolarHBondContact CA-O 3.42Å; V110-V143 HydrophobicContact CG1-CG1 4.48Å; V110-V143 HydrophobicContact CG2-CB 4.31Å; V110-N145 HydrophobicContact CG1-CB 3.95Å
111	F	98.1	Very high	96.6	Very high	1 Å²	1	29.4 Å²	29.4	0%	0.004	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	164.8	165.4	77	-80.2	0	0	0	110.3	I113 F119 L122 I142 V143 A144 N145 V155 A160 Y172	F111-I113 HydrophobicContact CE2-CG2 4.44Å; F111-F119 HydrophobicContact CB-CB 4.44Å; F111-F119 HydrophobicContact CD1-CD2 4.16Å; F111-F119 HydrophobicContact CD2-CB 3.72Å; F111-F119 AromaticContact CD2-CD2 3.87Å; F111-F119 HydrophobicContact CD2-CD2 3.87Å; F111-F119 HydrophobicContact CD2-CG 4.24Å; F111-F119 AromaticContact CE1-CD2 3.95Å; F111-F119 HydrophobicContact CE1-CD2 3.95Å; F111-F119 HydrophobicContact CE1-CE2 4.39Å; F111-F119 HydrophobicContact CE2-CB 4.16Å; F111-F119 AromaticContact CE2-CD2 3.69Å; F111-F119 HydrophobicContact CE2-CD2 3.69Å; F111-F119 HydrophobicContact CE2-CG 4.25Å; F111-F119 HydrophobicContact CG-CB 4.19Å; F111-F119 HydrophobicContact CG-CD2 4.08Å; F111-F119 AromaticContact CZ-CD2 3.7Å; F111-F119 HydrophobicContact CZ-CD2 3.7Å; F111-F119 HydrophobicContact CZ-CE2 4.16Å; F111-L122 HydrophobicContact CB-CD1 4.05Å; F111-L122 HydrophobicContact CB-CD2 4.28Å; F111-L122 HydrophobicContact CB-CG 4.22Å; F111-L122 HydrophobicContact CD1-CD1 3.59Å; F111-L122 HydrophobicContact CE1-CD1 4.3Å; F111-L122 HydrophobicContact CG-CD1 4.07Å; F111-I142 HydrophobicContact CD1-CG2 4.28Å; F111-I142 HydrophobicContact CE1-CG2 4.01Å; F111-V143 VanDerWaalsContact CD1-O 3.24Å; F111-V143 WeakPolarHBondContact CD1-O 3.49Å; F111-V143 PolarHBondContact N-O 3.3Å; F111-A144 HydrophobicContact CD1-CB 4.39Å; F111-A144 VanDerWaalsContact CE1-CA 3.47Å; F111-A144 HydrophobicContact CE1-CB 3.55Å; F111-A144 HydrophobicContact CE2-CB 4.13Å; F111-A144 HydrophobicContact CZ-CB 3.4Å; F111-A144 VanDerWaalsContact CZ-CB 3.4Å; F111-N145 PolarHBondContact O-N 3.27Å; F111-V155 HydrophobicContact CE2-CB 3.99Å; F111-V155 HydrophobicContact CE2-CG1 3.89Å; F111-V155 HydrophobicContact CE2-CG2 4.19Å; F111-V155 HydrophobicContact CZ-CG1 4.26Å; F111-A160 HydrophobicContact CE1-CB 4.49Å; F111-A160 HydrophobicContact CZ-CB 3.91Å; F111-Y172 HydrophobicContact CE1-CE2 4.17Å; F111-Y172 HydrophobicContact CZ-CE2 4.36Å
112	S	98.1	Very high	96.7	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.007	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	132.9	174.2	-175	0	0	0	0	109.4	T114 D115 S118 K146	S112-T114 PolarHBondContact O-N 3.41Å; S112-T114 PolarHBondContact OG-N 3.43Å; S112-T114 PolarHBondContact OG-OG1 3.07Å; S112-D115 PolarHBondContact O-N 3.08Å; S112-S118 PolarHBondContact N-OG 3.04Å; S112-K146 VanDerWaalsContact OG-CD 3.25Å; S112-K146 WeakPolarHBondContact OG-CD 3.35Å; S112-K146 WeakPolarHBondContact OG-CE 3.02Å
113	I	98.4	Very high	96.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-15.6	174.8	63.1	153.9	0	0	0	113.1	F111 A144 N145 K146 I147 R153 V154 V155	F111-I113 HydrophobicContact CE2-CG2 4.44Å; I113-A144 HydrophobicContact CG2-CB 3.8Å; I113-N145 PolarHBondContact N-O 3.48Å; I113-K146 WeakPolarHBondContact CD1-O 3.33Å; I113-K146 WeakPolarHBondContact CG1-O 3.31Å; I113-I147 HydrophobicContact CD1-CB 4.49Å; I113-I147 HydrophobicContact CD1-CG2 4.42Å; I113-I147 HydrophobicContact CG2-CG2 4.18Å; I113-R153 HydrophobicContact CB-CG 4.39Å; I113-R153 HydrophobicContact CD1-CB 4.11Å; I113-R153 HydrophobicContact CD1-CG 4.34Å; I113-R153 CarbonylContact O-C 3.44Å; I113-R153 WeakPolarHBondContact O-CA 3.26Å; I113-V154 WeakPolarHBondContact O-CG2 3.44Å; I113-V154 PolarHBondContact O-N 3.43Å; I113-V155 PolarHBondContact O-N 3.48Å
114	T	97.9	Very high	96.8	Very high	36 Å²	36	33.8 Å²	33.8	22%	0.221	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	2.5	178.8	73.3	0	0	0	0	114	S112 L149 Q152	S112-T114 PolarHBondContact O-N 3.41Å; S112-T114 PolarHBondContact OG-N 3.43Å; S112-T114 PolarHBondContact OG-OG1 3.07Å; T114-L149 HydrophobicContact CG2-CB 3.74Å; T114-L149 HydrophobicContact CG2-CD1 3.95Å; T114-Q152 WeakPolarHBondContact CA-O 3.38Å; T114-Q152 HydrophobicContact CG2-CB 3.7Å
115	D	97	Very high	96.7	Very high	49 Å²	49	34.1 Å²	34.1	26%	0.262	16%	0.16	S	C	.	.			trans	-138.1	103.1	-175.4	178.9	-3.6	0	0	0	109.9	S112 D117 S118 F119	S112-D115 PolarHBondContact O-N 3.08Å; D115-D117 WeakPolarHBondContact OD1-CB 3.04Å; D115-D117 PolarHBondContact OD1-N 3.49Å; D115-S118 PolarHBondContact O-N 3.1Å; D115-S118 PolarHBondContact O-OG 3.37Å; D115-S118 PolarHBondContact OD1-N 3.29Å; D115-S118 VanDerWaalsContact OD1-N 3.12Å; D115-S118 WeakPolarHBondContact OD2-CB 3.08Å; D115-F119 PolarHBondContact O-N 3.33Å
116	R	97.7	Very high	96.6	Very high	97 Å²	97	33.1 Å²	33.1	37%	0.366	15%	0.154	S	C	.	.	H	α-helix	trans	-64.1	-40.5	-179.6	176.1	61.7	-175.4	-138.4	18.2	112	S118 F119 D120 V154 E159	R116-S118 PolarHBondContact O-N 3.38Å; R116-F119 WeakPolarHBondContact O-CB 3.45Å; R116-F119 PolarHBondContact O-N 2.9Å; R116-D120 IonicContact CZ-OD1 2.7Å; R116-D120 IonicContact NE-OD1 3.5Å; R116-D120 PolarHBondContact NE-OD1 2.65Å; R116-D120 IonicContact NE-OD2 2.74Å; R116-D120 PolarHBondContact NE-OD2 3.12Å; R116-D120 VanDerWaalsContact NE-OD2 3.17Å; R116-D120 IonicContact NH2-OD1 2.79Å; R116-D120 PolarHBondContact NH2-OD1 2.86Å; R116-D120 PolarHBondContact O-N 3.46Å; R116-V154 HydrophobicContact CB-CG2 4.03Å; R116-E159 IonicContact CZ-OE1 2.87Å; R116-E159 IonicContact NH1-OE1 3.12Å; R116-E159 PolarHBondContact NH1-OE1 2.85Å; R116-E159 IonicContact NH1-OE2 3.6Å; R116-E159 PolarHBondContact NH1-OE2 2.83Å; R116-E159 IonicContact NH2-OE1 3.43Å; R116-E159 PolarHBondContact NH2-OE1 2.85Å
117	D	96.6	Very high	96.5	Very high	116 Å²	116	39 Å²	39	62%	0.62	18%	0.18	S	C	*	.	H	α-helix	trans	-62.8	-35.1	-179.4	-64.8	-19.7	0	0	0	110.5	D115 F119 D120 E121	D115-D117 WeakPolarHBondContact OD1-CB 3.04Å; D115-D117 PolarHBondContact OD1-N 3.49Å; D117-F119 VanDerWaalsContact C-N 3.29Å; D117-F119 PolarHBondContact O-N 3.21Å; D117-D120 PolarHBondContact O-N 3.12Å; D117-E121 WeakPolarHBondContact O-CB 3.42Å; D117-E121 PolarHBondContact O-N 3.36Å; D117-E121 VanDerWaalsContact O-N 3.09Å
118	S	96	Very high	96.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-64.2	-31.3	174.4	78.7	0	0	0	0	114.3	V43 S112 D115 R116	V43-S118 VanDerWaalsContact CG1-CB 3.47Å; S112-S118 PolarHBondContact N-OG 3.04Å; D115-S118 PolarHBondContact O-N 3.1Å; D115-S118 PolarHBondContact O-OG 3.37Å; D115-S118 PolarHBondContact OD1-N 3.29Å; D115-S118 VanDerWaalsContact OD1-N 3.12Å; D115-S118 WeakPolarHBondContact OD2-CB 3.08Å; R116-S118 PolarHBondContact O-N 3.38Å
119	F	98	Very high	96.1	Very high	7 Å²	7	40.7 Å²	40.7	3%	0.031	19%	0.187	C	C	.	.	H	α-helix	trans	-75.7	-46.4	176.2	175.6	-107.9	0	0	0	111.3	F111 D115 R116 D117 E121 L122 V155 E159 A160 F163	F111-F119 HydrophobicContact CB-CB 4.44Å; F111-F119 HydrophobicContact CD1-CD2 4.16Å; F111-F119 HydrophobicContact CD2-CB 3.72Å; F111-F119 AromaticContact CD2-CD2 3.87Å; F111-F119 HydrophobicContact CD2-CD2 3.87Å; F111-F119 HydrophobicContact CD2-CG 4.24Å; F111-F119 AromaticContact CE1-CD2 3.95Å; F111-F119 HydrophobicContact CE1-CD2 3.95Å; F111-F119 HydrophobicContact CE1-CE2 4.39Å; F111-F119 HydrophobicContact CE2-CB 4.16Å; F111-F119 AromaticContact CE2-CD2 3.69Å; F111-F119 HydrophobicContact CE2-CD2 3.69Å; F111-F119 HydrophobicContact CE2-CG 4.25Å; F111-F119 HydrophobicContact CG-CB 4.19Å; F111-F119 HydrophobicContact CG-CD2 4.08Å; F111-F119 AromaticContact CZ-CD2 3.7Å; F111-F119 HydrophobicContact CZ-CD2 3.7Å; F111-F119 HydrophobicContact CZ-CE2 4.16Å; D115-F119 PolarHBondContact O-N 3.33Å; R116-F119 WeakPolarHBondContact O-CB 3.45Å; R116-F119 PolarHBondContact O-N 2.9Å; D117-F119 VanDerWaalsContact C-N 3.29Å; D117-F119 PolarHBondContact O-N 3.21Å; F119-E121 VanDerWaalsContact C-N 3.25Å; F119-E121 PolarHBondContact O-N 2.91Å; F119-L122 HydrophobicContact CD2-CD1 4.24Å; F119-L122 VanDerWaalsContact O-CB 3.27Å; F119-L122 WeakPolarHBondContact O-CB 3.49Å; F119-L122 WeakPolarHBondContact O-CG 3.38Å; F119-L122 PolarHBondContact O-N 2.92Å; F119-L122 VanDerWaalsContact O-N 3.07Å; F119-V155 HydrophobicContact CB-CG2 3.83Å; F119-V155 HydrophobicContact CD1-CG1 4.11Å; F119-V155 HydrophobicContact CD1-CG2 4.26Å; F119-V155 HydrophobicContact CD2-CG1 4Å; F119-V155 HydrophobicContact CE1-CG1 4.21Å; F119-V155 HydrophobicContact CE2-CG1 4.12Å; F119-V155 HydrophobicContact CG-CG1 3.98Å; F119-V155 HydrophobicContact CG-CG2 4.03Å; F119-V155 HydrophobicContact CZ-CG1 4.21Å; F119-E159 HydrophobicContact CE1-CG 3.89Å; F119-E159 HydrophobicContact CZ-CG 4.04Å; F119-A160 HydrophobicContact CE2-CB 4Å; F119-F163 HydrophobicContact CE2-CB 4.16Å; F119-F163 AromaticContact CE2-CD1 3.85Å; F119-F163 HydrophobicContact CE2-CD1 3.85Å; F119-F163 HydrophobicContact CE2-CG 4.13Å; F119-F163 HydrophobicContact CZ-CB 3.64Å; F119-F163 HydrophobicContact CZ-CD1 4.01Å; F119-F163 HydrophobicContact CZ-CD2 4.45Å; F119-F163 AromaticContact CZ-CG 3.79Å; F119-F163 HydrophobicContact CZ-CG 3.79Å
120	D	96.4	Very high	96	Very high	75 Å²	75	42 Å²	42	40%	0.401	19%	0.194	S	C	.	.	H	α-helix	trans	-64.1	-31.3	-178.8	-65.3	-26.6	0	0	0	111.7	R116 D117 L122	R116-D120 IonicContact CZ-OD1 2.7Å; R116-D120 IonicContact NE-OD1 3.5Å; R116-D120 PolarHBondContact NE-OD1 2.65Å; R116-D120 IonicContact NE-OD2 2.74Å; R116-D120 PolarHBondContact NE-OD2 3.12Å; R116-D120 VanDerWaalsContact NE-OD2 3.17Å; R116-D120 IonicContact NH2-OD1 2.79Å; R116-D120 PolarHBondContact NH2-OD1 2.86Å; R116-D120 PolarHBondContact O-N 3.46Å; D117-D120 PolarHBondContact O-N 3.12Å; D120-L122 VanDerWaalsContact C-N 3.27Å; D120-L122 PolarHBondContact O-N 3.02Å
121	E	93.8	Very high	95.9	Very high	37 Å²	37	51.6 Å²	51.6	17%	0.173	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-20.3	176.3	-162.6	70.3	-164.7	0	0	113.3	N40 D117 F119 Q123 R124 F125	N40-E121 VanDerWaalsContact OD1-CG 3.31Å; N40-E121 WeakPolarHBondContact OD1-CG 3.3Å; D117-E121 WeakPolarHBondContact O-CB 3.42Å; D117-E121 PolarHBondContact O-N 3.36Å; D117-E121 VanDerWaalsContact O-N 3.09Å; F119-E121 VanDerWaalsContact C-N 3.25Å; F119-E121 PolarHBondContact O-N 2.91Å; E121-Q123 PolarHBondContact O-N 3.15Å; E121-Q123 VanDerWaalsContact O-N 3.15Å; E121-R124 WeakPolarHBondContact O-CB 3.44Å; E121-R124 PolarHBondContact O-N 3.31Å; E121-R124 WeakPolarHBondContact OE1-CD 3.36Å; E121-R124 IonicContact OE1-CZ 3.04Å; E121-R124 IonicContact OE1-NE 3.33Å; E121-R124 IonicContact OE1-NH1 2.85Å; E121-R124 PolarHBondContact OE1-NH1 2.82Å; E121-R124 VanDerWaalsContact OE1-NH1 3.13Å; E121-R124 VanDerWaalsContact OE2-CD 3.32Å; E121-R124 WeakPolarHBondContact OE2-CD 3.27Å; E121-R124 IonicContact OE2-CZ 3.03Å; E121-R124 IonicContact OE2-NE 3.34Å; E121-R124 IonicContact OE2-NH1 3.4Å; E121-R124 PolarHBondContact OE2-NH1 2.96Å; E121-F125 HydrophobicContact CB-CE2 4.37Å; E121-F125 HydrophobicContact CG-CD2 4.08Å; E121-F125 HydrophobicContact CG-CE2 3.68Å; E121-F125 WeakPolarHBondContact O-CD2 3.39Å; E121-F125 PolarHBondContact O-N 3.11Å
122	L	95.1	Very high	95.7	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-58	-33.7	-178.8	-66.9	-170.5	0	0	0	112.9	L109 F111 F119 D120 R124 F125 H126 I142 F163	L109-L122 HydrophobicContact CB-CD2 4.15Å; F111-L122 HydrophobicContact CB-CD1 4.05Å; F111-L122 HydrophobicContact CB-CD2 4.28Å; F111-L122 HydrophobicContact CB-CG 4.22Å; F111-L122 HydrophobicContact CD1-CD1 3.59Å; F111-L122 HydrophobicContact CE1-CD1 4.3Å; F111-L122 HydrophobicContact CG-CD1 4.07Å; F119-L122 HydrophobicContact CD2-CD1 4.24Å; F119-L122 VanDerWaalsContact O-CB 3.27Å; F119-L122 WeakPolarHBondContact O-CB 3.49Å; F119-L122 WeakPolarHBondContact O-CG 3.38Å; F119-L122 PolarHBondContact O-N 2.92Å; F119-L122 VanDerWaalsContact O-N 3.07Å; D120-L122 VanDerWaalsContact C-N 3.27Å; D120-L122 PolarHBondContact O-N 3.02Å; L122-R124 PolarHBondContact O-N 3.47Å; L122-F125 PolarHBondContact O-N 2.99Å; L122-H126 WeakPolarHBondContact O-CB 3.26Å; L122-H126 PolarHBondContact O-N 3.33Å; L122-I142 HydrophobicContact CD1-CG2 3.94Å; L122-F163 HydrophobicContact CB-CE1 3.81Å; L122-F163 HydrophobicContact CB-CZ 4.08Å; L122-F163 HydrophobicContact CD1-CE1 4.24Å
123	Q	95.3	Very high	95.6	Very high	87 Å²	87	54.2 Å²	54.2	41%	0.407	24%	0.244	S	C	.	.	H	α-helix	trans	-62.5	-34.8	178.1	-164.1	-173.4	20.4	0	0	111.5	E121 K127 F163	E121-Q123 PolarHBondContact O-N 3.15Å; E121-Q123 VanDerWaalsContact O-N 3.15Å; Q123-K127 HydrophobicContact CG-CD 4.45Å; Q123-K127 WeakPolarHBondContact O-CB 3.17Å; Q123-K127 WeakPolarHBondContact O-CG 3.37Å; Q123-K127 PolarHBondContact O-N 3.39Å; Q123-K127 VanDerWaalsContact O-N 3.07Å; Q123-F163 HydrophobicContact CB-CE2 4.11Å; Q123-F163 HydrophobicContact CB-CZ 3.94Å; Q123-F163 HydrophobicContact CG-CE2 4.41Å
124	R	93.1	Very high	95.5	Very high	161 Å²	161	60.7 Å²	60.7	61%	0.608	28%	0.278	S	S	*	.	H	α-helix	trans	-71	-44.5	177.2	-69.2	170.2	175.4	-179.8	4.1	110.9	E121 L122 H126 K127 Q128	E121-R124 WeakPolarHBondContact O-CB 3.44Å; E121-R124 PolarHBondContact O-N 3.31Å; E121-R124 WeakPolarHBondContact OE1-CD 3.36Å; E121-R124 IonicContact OE1-CZ 3.04Å; E121-R124 IonicContact OE1-NE 3.33Å; E121-R124 IonicContact OE1-NH1 2.85Å; E121-R124 PolarHBondContact OE1-NH1 2.82Å; E121-R124 VanDerWaalsContact OE1-NH1 3.13Å; E121-R124 VanDerWaalsContact OE2-CD 3.32Å; E121-R124 WeakPolarHBondContact OE2-CD 3.27Å; E121-R124 IonicContact OE2-CZ 3.03Å; E121-R124 IonicContact OE2-NE 3.34Å; E121-R124 IonicContact OE2-NH1 3.4Å; E121-R124 PolarHBondContact OE2-NH1 2.96Å; L122-R124 PolarHBondContact O-N 3.47Å; R124-H126 PolarHBondContact O-N 2.87Å; R124-K127 PolarHBondContact O-N 2.69Å; R124-Q128 VanDerWaalsContact O-CB 3.3Å; R124-Q128 WeakPolarHBondContact O-CB 3.29Å; R124-Q128 PolarHBondContact O-N 2.83Å
125	F	93.1	Very high	95.3	Very high	8 Å²	8	64.4 Å²	64.4	4%	0.035	29%	0.288	C	S	.	.	H	α-helix	trans	-57.7	-48.7	173.9	-75.1	-71.1	0	0	0	111.6	V38 M101 E121 L122 K127 Q128 I129	V38-F125 HydrophobicContact CB-CD1 4Å; V38-F125 HydrophobicContact CB-CE1 4.18Å; V38-F125 HydrophobicContact CG2-CB 4.45Å; V38-F125 HydrophobicContact CG2-CD1 4.2Å; V38-F125 HydrophobicContact CG2-CG 4.4Å; M101-F125 HydrophobicContact CE-CD1 4.23Å; E121-F125 HydrophobicContact CB-CE2 4.37Å; E121-F125 HydrophobicContact CG-CD2 4.08Å; E121-F125 HydrophobicContact CG-CE2 3.68Å; E121-F125 WeakPolarHBondContact O-CD2 3.39Å; E121-F125 PolarHBondContact O-N 3.11Å; L122-F125 PolarHBondContact O-N 2.99Å; F125-K127 PolarHBondContact O-N 2.79Å; F125-Q128 PolarHBondContact O-N 3.39Å; F125-I129 WeakPolarHBondContact O-CD1 3.46Å; F125-I129 VanDerWaalsContact O-CG1 3.26Å; F125-I129 WeakPolarHBondContact O-CG1 3.38Å; F125-I129 PolarHBondContact O-N 2.96Å
126	H	95.4	Very high	95.1	Very high	17 Å²	17	69.9 Å²	69.9	8%	0.079	32%	0.318	C	S	.	.	H	α-helix	trans	-56.2	-53	178	179.4	-94.9	0	0	0	112.2	L109 L122 R124 Q128 I129 L130 M140 L167	L109-H126 HydrophobicContact CD2-CB 4.16Å; L122-H126 WeakPolarHBondContact O-CB 3.26Å; L122-H126 PolarHBondContact O-N 3.33Å; R124-H126 PolarHBondContact O-N 2.87Å; H126-Q128 VanDerWaalsContact C-N 3.31Å; H126-Q128 PolarHBondContact O-N 2.98Å; H126-I129 PolarHBondContact O-N 3.04Å; H126-L130 WeakPolarHBondContact CE1-CD1 3.23Å; H126-L130 PolarHBondContact O-N 2.74Å; H126-L130 VanDerWaalsContact O-N 3.1Å; H126-M140 VanDerWaalsContact CD2-CE 3.46Å; H126-M140 WeakPolarHBondContact CD2-CE 3.48Å; H126-M140 VanDerWaalsContact CD2-SD 3.6Å; H126-L167 HydrophobicContact CB-CD1 4.02Å; H126-L167 PolarHBondContact NE2-O 3.14Å
127	K	94.8	Very high	95	Very high	125 Å²	125	70.4 Å²	70.4	54%	0.543	32%	0.32	S	S	.	.	H	α-helix	trans	-60.3	-39.8	178.3	-74.2	175.8	-180	172.8	0	112.3	Q123 R124 F125 R131	Q123-K127 HydrophobicContact CG-CD 4.45Å; Q123-K127 WeakPolarHBondContact O-CB 3.17Å; Q123-K127 WeakPolarHBondContact O-CG 3.37Å; Q123-K127 PolarHBondContact O-N 3.39Å; Q123-K127 VanDerWaalsContact O-N 3.07Å; R124-K127 PolarHBondContact O-N 2.69Å; F125-K127 PolarHBondContact O-N 2.79Å; K127-R131 WeakPolarHBondContact O-CB 3.24Å; K127-R131 PolarHBondContact O-N 3.44Å
128	Q	93	Very high	95	Very high	37 Å²	37	66 Å²	66	17%	0.173	30%	0.295	C	S	.	.	H	α-helix	trans	-67.7	-41.9	179.7	-165.8	178.5	8.3	0	0	111.6	M101 R124 F125 H126 R131 V132	M101-Q128 HydrophobicContact CE-CB 4.23Å; M101-Q128 HydrophobicContact CE-CG 4.11Å; M101-Q128 HydrophobicContact SD-CB 4.12Å; M101-Q128 HydrophobicContact SD-CG 3.66Å; R124-Q128 VanDerWaalsContact O-CB 3.3Å; R124-Q128 WeakPolarHBondContact O-CB 3.29Å; R124-Q128 PolarHBondContact O-N 2.83Å; F125-Q128 PolarHBondContact O-N 3.39Å; H126-Q128 VanDerWaalsContact C-N 3.31Å; H126-Q128 PolarHBondContact O-N 2.98Å; Q128-R131 PolarHBondContact O-N 3.25Å; Q128-V132 HydrophobicContact CG-CG2 4.46Å; Q128-V132 VanDerWaalsContact O-CG2 3.29Å; Q128-V132 WeakPolarHBondContact O-CG2 3.35Å; Q128-V132 PolarHBondContact O-N 3.44Å
129	I	94.9	Very high	95.1	Very high	0 Å²	0	66 Å²	66	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-59	-52.3	176.1	-71	161.3	0	0	0	110.3	V38 M101 F107 L109 F125 H126 R131 V132 K133 Y138 M140	V38-I129 HydrophobicContact CG2-CD1 4.35Å; M101-I129 HydrophobicContact CE-CG1 4.05Å; M101-I129 HydrophobicContact CG-CG1 4.13Å; M101-I129 HydrophobicContact SD-CG1 4Å; F107-I129 HydrophobicContact CB-CD1 3.86Å; F107-I129 HydrophobicContact CD1-CD1 3.78Å; F107-I129 HydrophobicContact CD1-CG1 4.04Å; F107-I129 HydrophobicContact CD2-CD1 4.15Å; F107-I129 HydrophobicContact CD2-CG1 4.36Å; F107-I129 HydrophobicContact CD2-CG2 3.59Å; F107-I129 HydrophobicContact CE1-CD1 4.44Å; F107-I129 HydrophobicContact CE1-CG1 4.2Å; F107-I129 HydrophobicContact CE2-CG1 4.48Å; F107-I129 HydrophobicContact CE2-CG2 3.52Å; F107-I129 HydrophobicContact CG-CD1 3.64Å; F107-I129 HydrophobicContact CG-CG1 4.15Å; F107-I129 HydrophobicContact CG-CG2 4.22Å; F107-I129 HydrophobicContact CZ-CG1 4.43Å; F107-I129 HydrophobicContact CZ-CG2 4.1Å; L109-I129 HydrophobicContact CD1-CD1 4.04Å; F125-I129 WeakPolarHBondContact O-CD1 3.46Å; F125-I129 VanDerWaalsContact O-CG1 3.26Å; F125-I129 WeakPolarHBondContact O-CG1 3.38Å; F125-I129 PolarHBondContact O-N 2.96Å; H126-I129 PolarHBondContact O-N 3.04Å; I129-R131 VanDerWaalsContact C-N 3.31Å; I129-R131 PolarHBondContact O-N 3.03Å; I129-V132 PolarHBondContact O-N 2.77Å; I129-K133 HydrophobicContact CG2-CG 4.33Å; I129-K133 WeakPolarHBondContact O-CB 3.34Å; I129-K133 VanDerWaalsContact O-CG 3.31Å; I129-K133 WeakPolarHBondContact O-CG 3.13Å; I129-K133 PolarHBondContact O-N 3.13Å; I129-Y138 HydrophobicContact CG2-CD1 4.48Å; I129-M140 HydrophobicContact CB-SD 4.32Å; I129-M140 HydrophobicContact CD1-SD 3.96Å; I129-M140 HydrophobicContact CG2-CE 4.3Å; I129-M140 HydrophobicContact CG2-SD 3.99Å
130	L	96.2	Very high	95.1	Very high	29 Å²	29	65.9 Å²	65.9	15%	0.152	30%	0.295	C	S	.	.	H	α-helix	trans	-59.1	-43	179.7	-68.2	-173.9	0	0	0	112	H126 K133 D134 R135 M140	H126-L130 WeakPolarHBondContact CE1-CD1 3.23Å; H126-L130 PolarHBondContact O-N 2.74Å; H126-L130 VanDerWaalsContact O-N 3.1Å; L130-K133 PolarHBondContact O-N 2.95Å; L130-D134 PolarHBondContact O-N 3.18Å; L130-R135 WeakPolarHBondContact CB-O 3.38Å; L130-R135 PolarHBondContact O-N 2.87Å; L130-M140 HydrophobicContact CD2-CE 3.6Å; L130-M140 HydrophobicContact CG-CE 4.1Å
131	R	95.3	Very high	95.2	Very high	201 Å²	201	62.3 Å²	62.3	76%	0.758	28%	0.275	S	S	*	.	H	α-helix	trans	-61.6	-44.5	176.1	-179.1	-177.8	173.5	-167.2	-3.2	112.7	K127 Q128 I129 K133 D134	K127-R131 WeakPolarHBondContact O-CB 3.24Å; K127-R131 PolarHBondContact O-N 3.44Å; Q128-R131 PolarHBondContact O-N 3.25Å; I129-R131 VanDerWaalsContact C-N 3.31Å; I129-R131 PolarHBondContact O-N 3.03Å; R131-K133 VanDerWaalsContact C-N 3.31Å; R131-D134 PolarHBondContact O-N 3.21Å
132	V	94.3	Very high	95.4	Very high	24 Å²	24	60.5 Å²	60.5	15%	0.145	27%	0.267	C	S	.	.	H	α-helix	trans	-70.9	-31.2	-179.7	173	0	0	0	0	111.5	E98 M101 R102 Q128 I129	E98-V132 HydrophobicContact CB-CG2 4.19Å; E98-V132 HydrophobicContact CG-CG2 3.8Å; M101-V132 HydrophobicContact CB-CB 4.05Å; M101-V132 HydrophobicContact CB-CG1 3.73Å; M101-V132 HydrophobicContact CB-CG2 4.29Å; M101-V132 HydrophobicContact SD-CG2 4.28Å; R102-V132 HydrophobicContact CB-CG1 3.97Å; Q128-V132 HydrophobicContact CG-CG2 4.46Å; Q128-V132 VanDerWaalsContact O-CG2 3.29Å; Q128-V132 WeakPolarHBondContact O-CG2 3.35Å; Q128-V132 PolarHBondContact O-N 3.44Å; I129-V132 PolarHBondContact O-N 2.77Å
133	K	95.5	Very high	95.6	Very high	33 Å²	33	60.5 Å²	60.5	14%	0.143	27%	0.267	C	S	.	.	H	α-helix	trans	-81.4	-17.3	177	-70.3	-60.9	-170.1	178.7	0	114.2	M101 R102 G104 I129 L130 R131 R135 Y138	M101-K133 WeakPolarHBondContact O-CE 3.48Å; M101-K133 PolarHBondContact O-NZ 3.47Å; M101-K133 VanDerWaalsContact O-NZ 3.12Å; R102-K133 PolarHBondContact O-NZ 2.96Å; G104-K133 WeakPolarHBondContact O-CE 3.47Å; G104-K133 PolarHBondContact O-NZ 2.91Å; I129-K133 HydrophobicContact CG2-CG 4.33Å; I129-K133 WeakPolarHBondContact O-CB 3.34Å; I129-K133 VanDerWaalsContact O-CG 3.31Å; I129-K133 WeakPolarHBondContact O-CG 3.13Å; I129-K133 PolarHBondContact O-N 3.13Å; L130-K133 PolarHBondContact O-N 2.95Å; R131-K133 VanDerWaalsContact C-N 3.31Å; K133-R135 HydrophobicContact CB-CB 4.4Å; K133-R135 HydrophobicContact CB-CG 4.35Å; K133-Y138 HydrophobicContact CB-CD2 3.9Å; K133-Y138 HydrophobicContact CB-CE2 4.27Å; K133-Y138 HydrophobicContact CB-CG 4.27Å; K133-Y138 HydrophobicContact CD-CD1 4.42Å; K133-Y138 HydrophobicContact CD-CD2 4.02Å; K133-Y138 HydrophobicContact CD-CE1 4.05Å; K133-Y138 HydrophobicContact CD-CE2 3.61Å; K133-Y138 HydrophobicContact CD-CG 4.41Å; K133-Y138 WeakPolarHBondContact CE-OH 3.43Å; K133-Y138 HydrophobicContact CG-CD1 4.05Å; K133-Y138 HydrophobicContact CG-CD2 3.73Å; K133-Y138 HydrophobicContact CG-CE1 4.19Å; K133-Y138 HydrophobicContact CG-CE2 3.87Å; K133-Y138 HydrophobicContact CG-CG 3.82Å; K133-Y138 PolarHBondContact NZ-OH 2.9Å
134	D	95.4	Very high	95.8	Very high	135 Å²	135	56.4 Å²	56.4	72%	0.722	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	55	52.2	-175	-164.3	38.2	0	0	0	111.4	L130 R131	L130-D134 PolarHBondContact O-N 3.18Å; R131-D134 PolarHBondContact O-N 3.21Å
135	R	93.8	Very high	96	Very high	114 Å²	114	48.9 Å²	48.9	43%	0.43	22%	0.22	S	C	.	.			trans	-145.1	148.6	-177	-66.8	-67	-170.1	-120.3	10.4	110.5	L130 K133 Y137 Y138 E201	L130-R135 WeakPolarHBondContact CB-O 3.38Å; L130-R135 PolarHBondContact O-N 2.87Å; K133-R135 HydrophobicContact CB-CB 4.4Å; K133-R135 HydrophobicContact CB-CG 4.35Å; R135-Y137 VanDerWaalsContact C-N 3.34Å; R135-Y137 WeakPolarHBondContact CB-O 3.1Å; R135-Y138 HydrophobicContact CG-CD2 4.37Å; R135-E201 IonicContact CZ-OE2 3.92Å; R135-E201 IonicContact NE-OE2 3.67Å; R135-E201 IonicContact NH2-OE2 2.59Å; R135-E201 PolarHBondContact NH2-OE2 2.78Å
136	D	93.4	Very high	96.2	Very high	165 Å²	165	51.1 Å²	51.1	88%	0.882	23%	0.229	S	C	*	.	S	Bend	trans	-77.9	-23.4	171	-62.7	-41.3	0	0	0	112.5
137	Y	95.1	Very high	96.4	Very high	108 Å²	108	51.5 Å²	51.5	42%	0.424	23%	0.232	S	C	.	.			trans	-136.4	139.5	177.1	172.9	-94.9	0	0	0	110.6	R135 F197	R135-Y137 VanDerWaalsContact C-N 3.34Å; R135-Y137 WeakPolarHBondContact CB-O 3.1Å; Y137-F197 AromaticContact CD1-CD2 3.81Å; Y137-F197 HydrophobicContact CD1-CD2 3.81Å; Y137-F197 HydrophobicContact CD1-CE2 4.16Å; Y137-F197 AromaticContact CE1-CD2 3.88Å; Y137-F197 HydrophobicContact CE1-CD2 3.88Å
138	Y	97.4	Very high	96.5	Very high	23 Å²	23	47.6 Å²	47.6	9%	0.09	22%	0.217	C	C	.	.			trans	-146.9	147	172.5	-154.4	-97.2	0	0	0	110.6	G104 D105 F107 I129 K133 R135 M140 F197	G104-Y138 WeakPolarHBondContact O-CE1 3.34Å; G104-Y138 PolarHBondContact O-OH 3Å; D105-Y138 VanDerWaalsContact O-CE1 3.31Å; D105-Y138 WeakPolarHBondContact O-CE1 3.31Å; F107-Y138 AromaticContact CD2-CD1 3.83Å; F107-Y138 HydrophobicContact CD2-CD1 3.83Å; F107-Y138 HydrophobicContact CD2-CE1 4.13Å; F107-Y138 AromaticContact CE2-CD1 3.55Å; F107-Y138 HydrophobicContact CE2-CD1 3.55Å; F107-Y138 AromaticContact CE2-CE1 3.56Å; F107-Y138 HydrophobicContact CE2-CE1 3.56Å; I129-Y138 HydrophobicContact CG2-CD1 4.48Å; K133-Y138 HydrophobicContact CB-CD2 3.9Å; K133-Y138 HydrophobicContact CB-CE2 4.27Å; K133-Y138 HydrophobicContact CB-CG 4.27Å; K133-Y138 HydrophobicContact CD-CD1 4.42Å; K133-Y138 HydrophobicContact CD-CD2 4.02Å; K133-Y138 HydrophobicContact CD-CE1 4.05Å; K133-Y138 HydrophobicContact CD-CE2 3.61Å; K133-Y138 HydrophobicContact CD-CG 4.41Å; K133-Y138 WeakPolarHBondContact CE-OH 3.43Å; K133-Y138 HydrophobicContact CG-CD1 4.05Å; K133-Y138 HydrophobicContact CG-CD2 3.73Å; K133-Y138 HydrophobicContact CG-CE1 4.19Å; K133-Y138 HydrophobicContact CG-CE2 3.87Å; K133-Y138 HydrophobicContact CG-CG 3.82Å; K133-Y138 PolarHBondContact NZ-OH 2.9Å; R135-Y138 HydrophobicContact CG-CD2 4.37Å; Y138-M140 VanDerWaalsContact O-CE 3.3Å; Y138-M140 WeakPolarHBondContact O-CE 3.48Å; Y138-M140 WeakPolarHBondContact O-CG 3.29Å; Y138-M140 PolarHBondContact O-N 3.3Å; Y138-M140 VanDerWaalsContact O-N 3.12Å; Y138-F197 HydrophobicContact CD2-CE1 4.05Å; Y138-F197 HydrophobicContact CD2-CE2 4.4Å; Y138-F197 AromaticContact CD2-CZ 3.79Å; Y138-F197 HydrophobicContact CD2-CZ 3.79Å; Y138-F197 AromaticContact CE2-CE1 3.68Å; Y138-F197 HydrophobicContact CE2-CE1 3.68Å; Y138-F197 AromaticContact CE2-CZ 3.85Å; Y138-F197 HydrophobicContact CE2-CZ 3.85Å
139	P	98	Very high	96.7	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	22%	0.222	C	C	.	.			trans	-55.8	115.5	-179	-29.6	36.5	0	0	0	113.8	G106 F107 L190 V194 F197	G106-P139 VanDerWaalsContact CA-O 3.29Å; G106-P139 WeakPolarHBondContact CA-O 3.24Å; F107-P139 PolarHBondContact N-O 3.26Å; P139-L190 HydrophobicContact CB-CD1 4.27Å; P139-V194 HydrophobicContact CB-CB 4.45Å; P139-V194 HydrophobicContact CB-CG2 3.66Å; P139-V194 HydrophobicContact CG-CG2 4.13Å; P139-F197 HydrophobicContact CG-CB 3.46Å; P139-F197 VanDerWaalsContact CG-CB 3.46Å; P139-F197 HydrophobicContact CG-CD1 3.96Å; P139-F197 HydrophobicContact CG-CD2 4.34Å; P139-F197 HydrophobicContact CG-CG 3.66Å
140	M	98.2	Very high	96.7	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.02	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	154.5	-178.2	-68.9	-175.3	-96.1	0	0	110.3	F107 L109 H126 I129 L130 Y138 V170	F107-M140 HydrophobicContact CB-CG 4.13Å; F107-M140 HydrophobicContact CD2-CG 4.39Å; F107-M140 CarbonylContact O-C 3.58Å; F107-M140 VanDerWaalsContact O-CA 3.26Å; F107-M140 WeakPolarHBondContact O-CA 3.45Å; L109-M140 HydrophobicContact CD1-CB 3.99Å; L109-M140 HydrophobicContact CD1-CG 3.95Å; L109-M140 HydrophobicContact CD1-SD 4Å; L109-M140 HydrophobicContact CD2-SD 4.42Å; H126-M140 VanDerWaalsContact CD2-CE 3.46Å; H126-M140 WeakPolarHBondContact CD2-CE 3.48Å; H126-M140 VanDerWaalsContact CD2-SD 3.6Å; I129-M140 HydrophobicContact CB-SD 4.32Å; I129-M140 HydrophobicContact CD1-SD 3.96Å; I129-M140 HydrophobicContact CG2-CE 4.3Å; I129-M140 HydrophobicContact CG2-SD 3.99Å; L130-M140 HydrophobicContact CD2-CE 3.6Å; L130-M140 HydrophobicContact CG-CE 4.1Å; Y138-M140 VanDerWaalsContact O-CE 3.3Å; Y138-M140 WeakPolarHBondContact O-CE 3.48Å; Y138-M140 WeakPolarHBondContact O-CG 3.29Å; Y138-M140 PolarHBondContact O-N 3.3Å; Y138-M140 VanDerWaalsContact O-N 3.12Å; M140-V170 HydrophobicContact CB-CG1 3.89Å; M140-V170 WeakPolarHBondContact O-CG1 3.49Å
141	V	98.5	Very high	96.8	Very high	0 Å²	0	60 Å²	60	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	130.9	167.9	177.2	0	0	0	0	108.2	F107 L109 V143 P171 V186 A189 L190	F107-V141 PolarHBondContact O-N 3.07Å; L109-V141 PolarHBondContact N-O 2.95Å; V141-V143 HydrophobicContact CG1-CG2 4.06Å; V141-P171 CarbonylContact C-O 3.51Å; V141-P171 WeakPolarHBondContact CA-O 3.48Å; V141-P171 HydrophobicContact CG1-CB 4.47Å; V141-P171 HydrophobicContact CG2-CB 4.28Å; V141-V186 HydrophobicContact CG1-CG1 4.28Å; V141-A189 HydrophobicContact CG2-CB 4.45Å; V141-L190 HydrophobicContact CG2-CB 3.86Å; V141-L190 HydrophobicContact CG2-CD1 4.13Å
142	I	98.5	Very high	96.9	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	130.3	174.2	-62.1	169.9	0	0	0	108.8	L109 F111 L122 F163 A164 L167 V170 P171 Y172 M173	L109-I142 HydrophobicContact CB-CG1 4.44Å; F111-I142 HydrophobicContact CD1-CG2 4.28Å; F111-I142 HydrophobicContact CE1-CG2 4.01Å; L122-I142 HydrophobicContact CD1-CG2 3.94Å; I142-F163 HydrophobicContact CD1-CD1 4.22Å; I142-F163 HydrophobicContact CD1-CE1 4.36Å; I142-A164 HydrophobicContact CD1-CB 3.79Å; I142-L167 HydrophobicContact CD1-CD1 4.05Å; I142-V170 HydrophobicContact CD1-CB 4.09Å; I142-V170 HydrophobicContact CD1-CG1 4.12Å; I142-V170 HydrophobicContact CG1-CB 4.39Å; I142-V170 HydrophobicContact CG1-CG1 3.86Å; I142-P171 PolarHBondContact N-O 3.33Å; I142-Y172 HydrophobicContact CB-CD2 4.28Å; I142-Y172 HydrophobicContact CG2-CD2 3.9Å; I142-Y172 HydrophobicContact CG2-CE2 4.47Å; I142-Y172 WeakPolarHBondContact O-CA 3.26Å; I142-M173 PolarHBondContact O-N 2.99Å
143	V	98.7	Very high	97.1	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	113.4	-174.8	179.2	0	0	0	0	110.5	L48 V108 L109 V110 F111 V141 N145 M173 T175 V186	L48-V143 HydrophobicContact CD1-CG1 3.99Å; V108-V143 HydrophobicContact CG1-CB 4.24Å; V108-V143 HydrophobicContact CG1-CG2 3.46Å; V108-V143 VanDerWaalsContact CG1-CG2 3.46Å; L109-V143 PolarHBondContact O-N 3.43Å; V110-V143 WeakPolarHBondContact CA-O 3.42Å; V110-V143 HydrophobicContact CG1-CG1 4.48Å; V110-V143 HydrophobicContact CG2-CB 4.31Å; F111-V143 VanDerWaalsContact CD1-O 3.24Å; F111-V143 WeakPolarHBondContact CD1-O 3.49Å; F111-V143 PolarHBondContact N-O 3.3Å; V141-V143 HydrophobicContact CG1-CG2 4.06Å; V143-N145 PolarHBondContact O-N 3.15Å; V143-M173 WeakPolarHBondContact CA-O 3.38Å; V143-T175 HydrophobicContact CG1-CG2 3.62Å; V143-T175 WeakPolarHBondContact CG1-OG1 3.45Å; V143-V186 HydrophobicContact CG1-CG2 4.41Å; V143-V186 HydrophobicContact CG2-CB 4.33Å; V143-V186 HydrophobicContact CG2-CG1 3.62Å; V143-V186 HydrophobicContact CG2-CG2 3.67Å
144	A	98.7	Very high	97.2	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	102.3	167.7	0	0	0	0	0	108.9	F111 I113 Y172 M173 E174 T175	F111-A144 HydrophobicContact CD1-CB 4.39Å; F111-A144 VanDerWaalsContact CE1-CA 3.47Å; F111-A144 HydrophobicContact CE1-CB 3.55Å; F111-A144 HydrophobicContact CE2-CB 4.13Å; F111-A144 HydrophobicContact CZ-CB 3.4Å; F111-A144 VanDerWaalsContact CZ-CB 3.4Å; I113-A144 HydrophobicContact CG2-CB 3.8Å; A144-Y172 HydrophobicContact CB-CE2 3.74Å; A144-Y172 WeakPolarHBondContact CB-OH 3.35Å; A144-M173 PolarHBondContact N-O 3.21Å; A144-E174 HydrophobicContact CB-CG 4.15Å; A144-E174 CarbonylContact O-C 3.6Å; A144-E174 WeakPolarHBondContact O-CA 3.26Å; A144-T175 PolarHBondContact O-N 3.26Å; A144-T175 PolarHBondContact O-OG1 3.34Å
145	N	98.5	Very high	97.3	Very high	3 Å²	3	53 Å²	53	2%	0.016	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	165.7	-178.9	-167.8	28.1	0	0	0	112.1	V43 L48 V110 F111 I113 V143 T175 A177	V43-N145 PolarHBondContact O-ND2 2.93Å; L48-N145 HydrophobicContact CD1-CB 4.23Å; V110-N145 HydrophobicContact CG1-CB 3.95Å; F111-N145 PolarHBondContact O-N 3.27Å; I113-N145 PolarHBondContact N-O 3.48Å; V143-N145 PolarHBondContact O-N 3.15Å; N145-T175 CarbonylContact C-O 3.53Å; N145-T175 WeakPolarHBondContact CA-O 3.22Å; N145-T175 WeakPolarHBondContact CA-OG1 3.38Å; N145-T175 PolarHBondContact OD1-O 3.41Å; N145-T175 PolarHBondContact OD1-OG1 3.03Å; N145-A177 PolarHBondContact OD1-N 3.3Å
146	K	97.6	Very high	97.5	Very high	55 Å²	55	50.3 Å²	50.3	24%	0.239	25%	0.253	C	S	.	.			trans	67.9	35.1	179.2	-44.4	-168.2	-162.8	170.3	0	114.4	G42 S112 I113 D148 L149 T175	G42-K146 VanDerWaalsContact O-CE 3.23Å; G42-K146 WeakPolarHBondContact O-CE 3.32Å; G42-K146 PolarHBondContact O-NZ 3.25Å; S112-K146 VanDerWaalsContact OG-CD 3.25Å; S112-K146 WeakPolarHBondContact OG-CD 3.35Å; S112-K146 WeakPolarHBondContact OG-CE 3.02Å; I113-K146 WeakPolarHBondContact CD1-O 3.33Å; I113-K146 WeakPolarHBondContact CG1-O 3.31Å; K146-D148 WeakPolarHBondContact CA-OD1 3.09Å; K146-D148 PolarHBondContact O-N 3.44Å; K146-L149 HydrophobicContact CB-CD1 4.19Å; K146-L149 HydrophobicContact CB-CG 4.42Å; K146-L149 HydrophobicContact CD-CD1 4.12Å; K146-L149 WeakPolarHBondContact O-CB 3.28Å; K146-L149 PolarHBondContact O-N 2.79Å; K146-T175 PolarHBondContact N-O 3.45Å
147	I	98	Very high	97.7	Very high	25 Å²	25	44.9 Å²	44.9	13%	0.128	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-63	-13.1	176.2	70.3	179.9	0	0	0	114.1	I113 L149 E174 T175 M181	I113-I147 HydrophobicContact CD1-CB 4.49Å; I113-I147 HydrophobicContact CD1-CG2 4.42Å; I113-I147 HydrophobicContact CG2-CG2 4.18Å; I147-L149 PolarHBondContact O-N 2.73Å; I147-E174 HydrophobicContact CD1-CB 4.02Å; I147-E174 HydrophobicContact CG2-CB 3.75Å; I147-E174 HydrophobicContact CG2-CG 4.2Å; I147-T175 WeakPolarHBondContact CG1-O 3.31Å; I147-T175 PolarHBondContact N-O 3.46Å; I147-M181 HydrophobicContact CD1-CB 4.47Å; I147-M181 HydrophobicContact CD1-CE 3.99Å; I147-M181 HydrophobicContact CD1-SD 4.28Å
148	D	97.5	Very high	97.9	Very high	44 Å²	44	43.1 Å²	43.1	24%	0.235	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-65.6	-15.2	168.1	55.2	-74	0	0	0	114.1	K146 S176 K178 Y179	K146-D148 WeakPolarHBondContact CA-OD1 3.09Å; K146-D148 PolarHBondContact O-N 3.44Å; D148-S176 WeakPolarHBondContact OD1-CB 3.36Å; D148-S176 PolarHBondContact OD1-OG 3.31Å; D148-K178 VanDerWaalsContact OD2-CD 3.25Å; D148-K178 WeakPolarHBondContact OD2-CD 3.39Å; D148-Y179 HydrophobicContact CB-CD2 3.58Å; D148-Y179 HydrophobicContact CB-CE2 3.3Å
149	L	96.8	Very high	97.9	Very high	51 Å²	51	45 Å²	45	27%	0.267	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-102.5	46.7	177.3	-56.5	-179.2	0	0	0	111.6	T114 K146 I147 D151 Q152	T114-L149 HydrophobicContact CG2-CB 3.74Å; T114-L149 HydrophobicContact CG2-CD1 3.95Å; K146-L149 HydrophobicContact CB-CD1 4.19Å; K146-L149 HydrophobicContact CB-CG 4.42Å; K146-L149 HydrophobicContact CD-CD1 4.12Å; K146-L149 WeakPolarHBondContact O-CB 3.28Å; K146-L149 PolarHBondContact O-N 2.79Å; I147-L149 PolarHBondContact O-N 2.73Å; L149-D151 PolarHBondContact O-N 3.3Å; L149-Q152 HydrophobicContact CB-CB 4.4Å; L149-Q152 PolarHBondContact O-N 3.07Å
150	Q	96	Very high	97.9	Very high	104 Å²	104	45 Å²	45	49%	0.486	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-57.1	-34.2	-174.1	-171.4	64.5	7	0	0	113.4	Q152 R153	Q150-Q152 PolarHBondContact O-N 2.9Å; Q150-R153 VanDerWaalsContact O-CB 3.26Å; Q150-R153 WeakPolarHBondContact O-CB 3.5Å; Q150-R153 PolarHBondContact O-N 2.94Å; Q150-R153 VanDerWaalsContact O-N 3.15Å
151	D	97.3	Very high	97.9	Very high	172 Å²	172	49.1 Å²	49.1	92%	0.92	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-66.3	-17	177.3	-60.6	-32.7	0	0	0	113.4	L149	L149-D151 PolarHBondContact O-N 3.3Å
152	Q	97.5	Very high	97.9	Very high	115 Å²	115	50.5 Å²	50.5	54%	0.537	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-105.9	10.5	178.9	-59.4	176.5	31.5	0	0	112	T114 L149 Q150 V154	T114-Q152 WeakPolarHBondContact CA-O 3.38Å; T114-Q152 HydrophobicContact CG2-CB 3.7Å; L149-Q152 HydrophobicContact CB-CB 4.4Å; L149-Q152 PolarHBondContact O-N 3.07Å; Q150-Q152 PolarHBondContact O-N 2.9Å; Q152-V154 PolarHBondContact O-N 3.5Å
153	R	98.5	Very high	97.8	Very high	49 Å²	49	51.6 Å²	51.6	19%	0.185	28%	0.281	C	S	.	.			trans	-64.7	125.2	-177.9	-178.9	176.3	-72.8	-104.1	10.5	111.2	I113 Q150 V155 E174	I113-R153 HydrophobicContact CB-CG 4.39Å; I113-R153 HydrophobicContact CD1-CB 4.11Å; I113-R153 HydrophobicContact CD1-CG 4.34Å; I113-R153 CarbonylContact O-C 3.44Å; I113-R153 WeakPolarHBondContact O-CA 3.26Å; Q150-R153 VanDerWaalsContact O-CB 3.26Å; Q150-R153 WeakPolarHBondContact O-CB 3.5Å; Q150-R153 PolarHBondContact O-N 2.94Å; Q150-R153 VanDerWaalsContact O-N 3.15Å; R153-V155 VanDerWaalsContact CD-O 3.23Å; R153-V155 WeakPolarHBondContact CD-O 3.42Å; R153-V155 WeakPolarHBondContact CG-O 3.35Å; R153-V155 PolarHBondContact NH1-O 3.24Å; R153-V155 VanDerWaalsContact NH1-O 3.12Å; R153-E174 IonicContact CZ-OE1 3.43Å; R153-E174 IonicContact NH1-OE1 2.79Å; R153-E174 PolarHBondContact NH1-OE1 3.23Å; R153-E174 IonicContact NH2-OE1 3.94Å; R153-E174 PolarHBondContact NH2-OE1 3.41Å; R153-E174 IonicContact NH2-OE2 3.7Å
154	V	98.3	Very high	97.8	Very high	79 Å²	79	51.8 Å²	51.8	48%	0.479	28%	0.283	S	S	.	.			trans	-115.5	-9.1	173.7	-59.1	0	0	0	0	113.3	I113 R116 Q152	I113-V154 WeakPolarHBondContact O-CG2 3.44Å; I113-V154 PolarHBondContact O-N 3.43Å; R116-V154 HydrophobicContact CB-CG2 4.03Å; Q152-V154 PolarHBondContact O-N 3.5Å
155	V	97.8	Very high	97.7	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.006	31%	0.309	C	S	.	.	S	Bend	trans	-119.1	121	174.6	-176.8	0	0	0	0	109.8	F111 I113 F119 R153 A160	F111-V155 HydrophobicContact CE2-CB 3.99Å; F111-V155 HydrophobicContact CE2-CG1 3.89Å; F111-V155 HydrophobicContact CE2-CG2 4.19Å; F111-V155 HydrophobicContact CZ-CG1 4.26Å; I113-V155 PolarHBondContact O-N 3.48Å; F119-V155 HydrophobicContact CB-CG2 3.83Å; F119-V155 HydrophobicContact CD1-CG1 4.11Å; F119-V155 HydrophobicContact CD1-CG2 4.26Å; F119-V155 HydrophobicContact CD2-CG1 4Å; F119-V155 HydrophobicContact CE1-CG1 4.21Å; F119-V155 HydrophobicContact CE2-CG1 4.12Å; F119-V155 HydrophobicContact CG-CG1 3.98Å; F119-V155 HydrophobicContact CG-CG2 4.03Å; F119-V155 HydrophobicContact CZ-CG1 4.21Å; R153-V155 VanDerWaalsContact CD-O 3.23Å; R153-V155 WeakPolarHBondContact CD-O 3.42Å; R153-V155 WeakPolarHBondContact CG-O 3.35Å; R153-V155 PolarHBondContact NH1-O 3.24Å; R153-V155 VanDerWaalsContact NH1-O 3.12Å; V155-A160 HydrophobicContact CG1-CB 4.29Å
156	S	97.8	Very high	97.6	Very high	58 Å²	58	64.9 Å²	64.9	41%	0.406	34%	0.344	S	S	.	.			trans	-74.9	154.1	179.6	75.4	0	0	0	0	111.8	A158 E159 A160	S156-A158 VanDerWaalsContact C-N 3.33Å; S156-A158 PolarHBondContact O-N 3.11Å; S156-E159 PolarHBondContact O-N 3.12Å; S156-E159 WeakPolarHBondContact OG-CB 3.2Å; S156-E159 PolarHBondContact OG-N 3.13Å; S156-E159 VanDerWaalsContact OG-N 3.12Å; S156-A160 PolarHBondContact O-N 2.7Å; S156-A160 VanDerWaalsContact O-N 3.11Å
157	V	98	Very high	97.5	Very high	51 Å²	51	63.5 Å²	63.5	31%	0.309	34%	0.339	S	S	.	.	H	α-helix	trans	-59.2	-46.5	176.1	-178	0	0	0	0	110.5	E159 A160 E161 Y172	V157-E159 VanDerWaalsContact C-N 3.31Å; V157-E159 PolarHBondContact O-N 2.81Å; V157-A160 PolarHBondContact O-N 2.79Å; V157-A160 VanDerWaalsContact O-N 3.15Å; V157-E161 HydrophobicContact CG1-CG 4.21Å; V157-E161 WeakPolarHBondContact O-CB 3.26Å; V157-E161 WeakPolarHBondContact O-CG 3.03Å; V157-E161 PolarHBondContact O-N 3.46Å; V157-Y172 HydrophobicContact CG1-CE1 4.24Å
158	A	98	Very high	97.3	Very high	71 Å²	71	64.5 Å²	64.5	59%	0.587	36%	0.356	S	S	*	.	H	α-helix	trans	-61.4	-36.8	179.9	0	0	0	0	0	113	S156 G162	S156-A158 VanDerWaalsContact C-N 3.33Å; S156-A158 PolarHBondContact O-N 3.11Å; A158-G162 PolarHBondContact O-N 2.75Å
159	E	98	Very high	97.1	Very high	63 Å²	63	68 Å²	68	29%	0.294	37%	0.374	S	S	.	.	H	α-helix	trans	-66	-45.1	174.9	179.8	175.7	-157	0	0	111.3	R116 F119 S156 V157 G162 F163	R116-E159 IonicContact CZ-OE1 2.87Å; R116-E159 IonicContact NH1-OE1 3.12Å; R116-E159 PolarHBondContact NH1-OE1 2.85Å; R116-E159 IonicContact NH1-OE2 3.6Å; R116-E159 PolarHBondContact NH1-OE2 2.83Å; R116-E159 IonicContact NH2-OE1 3.43Å; R116-E159 PolarHBondContact NH2-OE1 2.85Å; F119-E159 HydrophobicContact CE1-CG 3.89Å; F119-E159 HydrophobicContact CZ-CG 4.04Å; S156-E159 PolarHBondContact O-N 3.12Å; S156-E159 WeakPolarHBondContact OG-CB 3.2Å; S156-E159 PolarHBondContact OG-N 3.13Å; S156-E159 VanDerWaalsContact OG-N 3.12Å; V157-E159 VanDerWaalsContact C-N 3.31Å; V157-E159 PolarHBondContact O-N 2.81Å; E159-G162 PolarHBondContact O-N 2.85Å; E159-F163 WeakPolarHBondContact O-CB 3.4Å; E159-F163 PolarHBondContact O-N 2.96Å
160	A	97.9	Very high	97.1	Very high	0 Å²	0	66 Å²	66	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-68.9	-40	-179.6	0	0	0	0	0	112.8	F111 F119 V155 S156 V157 F163 A164 Y172	F111-A160 HydrophobicContact CE1-CB 4.49Å; F111-A160 HydrophobicContact CZ-CB 3.91Å; F119-A160 HydrophobicContact CE2-CB 4Å; V155-A160 HydrophobicContact CG1-CB 4.29Å; S156-A160 PolarHBondContact O-N 2.7Å; S156-A160 VanDerWaalsContact O-N 3.11Å; V157-A160 PolarHBondContact O-N 2.79Å; V157-A160 VanDerWaalsContact O-N 3.15Å; A160-F163 PolarHBondContact O-N 3.47Å; A160-A164 WeakPolarHBondContact O-CB 3.44Å; A160-A164 PolarHBondContact O-N 3.47Å; A160-Y172 HydrophobicContact CB-CD2 4.24Å; A160-Y172 HydrophobicContact CB-CE1 4.49Å; A160-Y172 HydrophobicContact CB-CE2 3.46Å; A160-Y172 VanDerWaalsContact CB-CE2 3.46Å
161	E	97.9	Very high	97.2	Very high	91 Å²	91	63.2 Å²	63.2	43%	0.425	36%	0.355	S	S	.	.	H	α-helix	trans	-64.6	-45.6	172.8	-72.9	178.3	159.8	0	0	111.4	V157 F163 A164 H165 Y172	V157-E161 HydrophobicContact CG1-CG 4.21Å; V157-E161 WeakPolarHBondContact O-CB 3.26Å; V157-E161 WeakPolarHBondContact O-CG 3.03Å; V157-E161 PolarHBondContact O-N 3.46Å; E161-F163 VanDerWaalsContact C-N 3.29Å; E161-F163 PolarHBondContact O-N 2.8Å; E161-A164 WeakPolarHBondContact O-CB 3.42Å; E161-A164 PolarHBondContact O-N 3.19Å; E161-A164 VanDerWaalsContact O-N 3.12Å; E161-H165 PolarHBondContact O-CD2 2.96Å; E161-H165 PolarHBondContact O-N 3.46Å; E161-Y172 HydrophobicContact CG-CD1 3.51Å; E161-Y172 HydrophobicContact CG-CE1 3.73Å; E161-Y172 HydrophobicContact CG-CG 4.35Å
162	G	98.2	Very high	97.3	Very high	28 Å²	28	56.9 Å²	56.9	29%	0.289	32%	0.318	S	S	.	.	H	α-helix	trans	-59.6	-40.3	175.8	0	0	0	0	0	112.4	A158 E159 H165 Q166	A158-G162 PolarHBondContact O-N 2.75Å; E159-G162 PolarHBondContact O-N 2.85Å; G162-H165 PolarHBondContact O-N 3.39Å; G162-Q166 VanDerWaalsContact O-CG 3.27Å; G162-Q166 WeakPolarHBondContact O-CG 3.28Å; G162-Q166 PolarHBondContact O-N 2.94Å
163	F	97.6	Very high	97.3	Very high	23 Å²	23	53.7 Å²	53.7	10%	0.101	30%	0.304	C	S	.	.	H	α-helix	trans	-64.7	-41.9	173.4	179.2	-106.6	0	0	0	112.3	F119 L122 Q123 I142 E159 A160 E161 H165 Q166 L167	F119-F163 HydrophobicContact CE2-CB 4.16Å; F119-F163 AromaticContact CE2-CD1 3.85Å; F119-F163 HydrophobicContact CE2-CD1 3.85Å; F119-F163 HydrophobicContact CE2-CG 4.13Å; F119-F163 HydrophobicContact CZ-CB 3.64Å; F119-F163 HydrophobicContact CZ-CD1 4.01Å; F119-F163 HydrophobicContact CZ-CD2 4.45Å; F119-F163 AromaticContact CZ-CG 3.79Å; F119-F163 HydrophobicContact CZ-CG 3.79Å; L122-F163 HydrophobicContact CB-CE1 3.81Å; L122-F163 HydrophobicContact CB-CZ 4.08Å; L122-F163 HydrophobicContact CD1-CE1 4.24Å; Q123-F163 HydrophobicContact CB-CE2 4.11Å; Q123-F163 HydrophobicContact CB-CZ 3.94Å; Q123-F163 HydrophobicContact CG-CE2 4.41Å; I142-F163 HydrophobicContact CD1-CD1 4.22Å; I142-F163 HydrophobicContact CD1-CE1 4.36Å; E159-F163 WeakPolarHBondContact O-CB 3.4Å; E159-F163 PolarHBondContact O-N 2.96Å; A160-F163 PolarHBondContact O-N 3.47Å; E161-F163 VanDerWaalsContact C-N 3.29Å; E161-F163 PolarHBondContact O-N 2.8Å; F163-H165 VanDerWaalsContact C-N 3.33Å; F163-H165 PolarHBondContact O-N 2.86Å; F163-Q166 WeakPolarHBondContact O-CB 3.4Å; F163-Q166 PolarHBondContact O-N 3.36Å; F163-Q166 VanDerWaalsContact O-N 3.17Å; F163-L167 HydrophobicContact CD1-CD1 4.08Å; F163-L167 HydrophobicContact CE1-CD1 3.41Å; F163-L167 VanDerWaalsContact CE1-CD1 3.41Å; F163-L167 HydrophobicContact CE1-CG 4.17Å; F163-L167 HydrophobicContact CE2-CD1 4.25Å; F163-L167 HydrophobicContact CE2-CD2 4.31Å; F163-L167 HydrophobicContact CE2-CG 4.3Å; F163-L167 HydrophobicContact CZ-CD1 3.52Å; F163-L167 HydrophobicContact CZ-CD2 4.26Å; F163-L167 HydrophobicContact CZ-CG 4.06Å; F163-L167 WeakPolarHBondContact O-CG 3.39Å; F163-L167 PolarHBondContact O-N 2.77Å; F163-L167 VanDerWaalsContact O-N 3.1Å
164	A	97.9	Very high	97.3	Very high	4 Å²	4	53.5 Å²	53.5	3%	0.033	31%	0.305	C	S	.	.	H	α-helix	trans	-61.4	-40.3	176.9	0	0	0	0	0	112.7	I142 A160 E161 L167 D169 V170	I142-A164 HydrophobicContact CD1-CB 3.79Å; A160-A164 WeakPolarHBondContact O-CB 3.44Å; A160-A164 PolarHBondContact O-N 3.47Å; E161-A164 WeakPolarHBondContact O-CB 3.42Å; E161-A164 PolarHBondContact O-N 3.19Å; E161-A164 VanDerWaalsContact O-N 3.12Å; A164-L167 PolarHBondContact O-N 3.02Å; A164-D169 PolarHBondContact O-N 3.12Å; A164-V170 WeakPolarHBondContact CB-O 3.45Å; A164-V170 PolarHBondContact O-N 3.33Å
165	H	97.2	Very high	97.3	Very high	120 Å²	120	49.7 Å²	49.7	56%	0.556	28%	0.283	S	S	*	.	H	α-helix	trans	-62.3	-44.6	171.6	-73.3	-57.1	0	0	0	112.2	E161 G162 F163 L167 G168 D169	E161-H165 PolarHBondContact O-CD2 2.96Å; E161-H165 PolarHBondContact O-N 3.46Å; G162-H165 PolarHBondContact O-N 3.39Å; F163-H165 VanDerWaalsContact C-N 3.33Å; F163-H165 PolarHBondContact O-N 2.86Å; H165-L167 PolarHBondContact O-N 2.78Å; H165-G168 PolarHBondContact O-N 2.87Å; H165-D169 IonicContact CE1-OD1 3.59Å; H165-D169 IonicContact CG-OD1 3.68Å; H165-D169 IonicContact ND1-OD1 2.73Å; H165-D169 PolarHBondContact ND1-OD1 2.78Å; H165-D169 PolarHBondContact O-N 2.79Å
166	Q	96.3	Very high	97.3	Very high	159 Å²	159	49.7 Å²	49.7	74%	0.743	28%	0.282	S	S	*	.	H	α-helix	trans	-61.7	-26.6	178	-72.5	169.5	16.9	0	0	113.6	G162 F163 G168	G162-Q166 VanDerWaalsContact O-CG 3.27Å; G162-Q166 WeakPolarHBondContact O-CG 3.28Å; G162-Q166 PolarHBondContact O-N 2.94Å; F163-Q166 WeakPolarHBondContact O-CB 3.4Å; F163-Q166 PolarHBondContact O-N 3.36Å; F163-Q166 VanDerWaalsContact O-N 3.17Å; Q166-G168 VanDerWaalsContact C-N 3.28Å
167	L	95.2	Very high	97.2	Very high	26 Å²	26	47 Å²	47	14%	0.136	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	5.8	176.8	-64.6	-171.5	0	0	0	114	H126 I142 F163 A164 H165 V170	H126-L167 HydrophobicContact CB-CD1 4.02Å; H126-L167 PolarHBondContact NE2-O 3.14Å; I142-L167 HydrophobicContact CD1-CD1 4.05Å; F163-L167 HydrophobicContact CD1-CD1 4.08Å; F163-L167 HydrophobicContact CE1-CD1 3.41Å; F163-L167 VanDerWaalsContact CE1-CD1 3.41Å; F163-L167 HydrophobicContact CE1-CG 4.17Å; F163-L167 HydrophobicContact CE2-CD1 4.25Å; F163-L167 HydrophobicContact CE2-CD2 4.31Å; F163-L167 HydrophobicContact CE2-CG 4.3Å; F163-L167 HydrophobicContact CZ-CD1 3.52Å; F163-L167 HydrophobicContact CZ-CD2 4.26Å; F163-L167 HydrophobicContact CZ-CG 4.06Å; F163-L167 WeakPolarHBondContact O-CG 3.39Å; F163-L167 PolarHBondContact O-N 2.77Å; F163-L167 VanDerWaalsContact O-N 3.1Å; A164-L167 PolarHBondContact O-N 3.02Å; H165-L167 PolarHBondContact O-N 2.78Å; L167-V170 HydrophobicContact CB-CG2 3.97Å
168	G	93.8	Very high	97.1	Very high	46 Å²	46	49.1 Å²	49.1	47%	0.474	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.5	44.3	178.7	0	0	0	0	0	113.4	H165 Q166 V170	H165-G168 PolarHBondContact O-N 2.87Å; Q166-G168 VanDerWaalsContact C-N 3.28Å; G168-V170 VanDerWaalsContact C-N 3.32Å; G168-V170 PolarHBondContact O-N 2.87Å
169	D	94	Very high	97	Very high	117 Å²	117	52.5 Å²	52.5	63%	0.626	27%	0.268	S	S	*	.	S	Bend	trans	56.4	42.7	178.4	-61.9	-45.4	0	0	0	113.7	A164 H165	A164-D169 PolarHBondContact O-N 3.12Å; H165-D169 IonicContact CE1-OD1 3.59Å; H165-D169 IonicContact CG-OD1 3.68Å; H165-D169 IonicContact ND1-OD1 2.73Å; H165-D169 PolarHBondContact ND1-OD1 2.78Å; H165-D169 PolarHBondContact O-N 2.79Å
170	V	96.7	Very high	96.9	Very high	10 Å²	10	53 Å²	53	6%	0.061	27%	0.267	C	S	.	.			trans	-66.3	131.4	176.2	-177	0	0	0	0	109.1	M140 I142 A164 L167 G168 Y172	M140-V170 HydrophobicContact CB-CG1 3.89Å; M140-V170 WeakPolarHBondContact O-CG1 3.49Å; I142-V170 HydrophobicContact CD1-CB 4.09Å; I142-V170 HydrophobicContact CD1-CG1 4.12Å; I142-V170 HydrophobicContact CG1-CB 4.39Å; I142-V170 HydrophobicContact CG1-CG1 3.86Å; A164-V170 WeakPolarHBondContact CB-O 3.45Å; A164-V170 PolarHBondContact O-N 3.33Å; L167-V170 HydrophobicContact CB-CG2 3.97Å; G168-V170 VanDerWaalsContact C-N 3.32Å; G168-V170 PolarHBondContact O-N 2.87Å; V170-Y172 PolarHBondContact O-N 3.13Å
171	P	97.5	Very high	96.9	Very high	45 Å²	45	57.3 Å²	57.3	29%	0.292	29%	0.288	S	S	.	.			trans	-55.2	130.6	176.5	-26.1	33.1	0	0	0	112.1	V141 I142	V141-P171 CarbonylContact C-O 3.51Å; V141-P171 WeakPolarHBondContact CA-O 3.48Å; V141-P171 HydrophobicContact CG1-CB 4.47Å; V141-P171 HydrophobicContact CG2-CB 4.28Å; I142-P171 PolarHBondContact N-O 3.33Å
172	Y	98.3	Very high	96.9	Very high	38 Å²	38	56 Å²	56	15%	0.149	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	135.9	178.6	169.6	-103.9	0	0	0	110.7	F111 I142 A144 V157 A160 E161 V170 E174	F111-Y172 HydrophobicContact CE1-CE2 4.17Å; F111-Y172 HydrophobicContact CZ-CE2 4.36Å; I142-Y172 HydrophobicContact CB-CD2 4.28Å; I142-Y172 HydrophobicContact CG2-CD2 3.9Å; I142-Y172 HydrophobicContact CG2-CE2 4.47Å; I142-Y172 WeakPolarHBondContact O-CA 3.26Å; A144-Y172 HydrophobicContact CB-CE2 3.74Å; A144-Y172 WeakPolarHBondContact CB-OH 3.35Å; V157-Y172 HydrophobicContact CG1-CE1 4.24Å; A160-Y172 HydrophobicContact CB-CD2 4.24Å; A160-Y172 HydrophobicContact CB-CE1 4.49Å; A160-Y172 HydrophobicContact CB-CE2 3.46Å; A160-Y172 VanDerWaalsContact CB-CE2 3.46Å; E161-Y172 HydrophobicContact CG-CD1 3.51Å; E161-Y172 HydrophobicContact CG-CE1 3.73Å; E161-Y172 HydrophobicContact CG-CG 4.35Å; V170-Y172 PolarHBondContact O-N 3.13Å; Y172-E174 HydrophobicContact CE1-CG 4.01Å; Y172-E174 WeakPolarHBondContact OH-CG 3.42Å; Y172-E174 PolarHBondContact OH-OE1 3.17Å
173	M	98.3	Very high	96.9	Very high	49 Å²	49	54.7 Å²	54.7	24%	0.241	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	138.9	175.3	-65.3	-174	178.8	0	0	112.2	I142 V143 A144 H185 V186 A189	I142-M173 PolarHBondContact O-N 2.99Å; V143-M173 WeakPolarHBondContact CA-O 3.38Å; A144-M173 PolarHBondContact N-O 3.21Å; M173-H185 HydrophobicContact SD-CB 4.05Å; M173-V186 HydrophobicContact CB-CG2 4.07Å; M173-V186 HydrophobicContact SD-CG2 3.98Å; M173-A189 HydrophobicContact CE-CB 3.61Å; M173-A189 HydrophobicContact SD-CB 4.45Å
174	E	98.6	Very high	96.8	Very high	44 Å²	44	55.7 Å²	55.7	21%	0.206	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	132.7	169	-69.8	-147.3	126	0	0	110.9	A144 I147 R153 Y172 N182	A144-E174 HydrophobicContact CB-CG 4.15Å; A144-E174 CarbonylContact O-C 3.6Å; A144-E174 WeakPolarHBondContact O-CA 3.26Å; I147-E174 HydrophobicContact CD1-CB 4.02Å; I147-E174 HydrophobicContact CG2-CB 3.75Å; I147-E174 HydrophobicContact CG2-CG 4.2Å; R153-E174 IonicContact CZ-OE1 3.43Å; R153-E174 IonicContact NH1-OE1 2.79Å; R153-E174 PolarHBondContact NH1-OE1 3.23Å; R153-E174 IonicContact NH2-OE1 3.94Å; R153-E174 PolarHBondContact NH2-OE1 3.41Å; R153-E174 IonicContact NH2-OE2 3.7Å; Y172-E174 HydrophobicContact CE1-CG 4.01Å; Y172-E174 WeakPolarHBondContact OH-CG 3.42Å; Y172-E174 PolarHBondContact OH-OE1 3.17Å; E174-N182 VanDerWaalsContact O-CB 3.24Å; E174-N182 WeakPolarHBondContact O-CB 3.38Å; E174-N182 PolarHBondContact O-ND2 3.36Å
175	T	98.6	Very high	96.8	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.3	C	S	.	.			trans	-133.8	153.1	-176.3	60.5	0	0	0	0	112.7	V143 A144 N145 K146 I147 M181 N182 V186	V143-T175 HydrophobicContact CG1-CG2 3.62Å; V143-T175 WeakPolarHBondContact CG1-OG1 3.45Å; A144-T175 PolarHBondContact O-N 3.26Å; A144-T175 PolarHBondContact O-OG1 3.34Å; N145-T175 CarbonylContact C-O 3.53Å; N145-T175 WeakPolarHBondContact CA-O 3.22Å; N145-T175 WeakPolarHBondContact CA-OG1 3.38Å; N145-T175 PolarHBondContact OD1-O 3.41Å; N145-T175 PolarHBondContact OD1-OG1 3.03Å; K146-T175 PolarHBondContact N-O 3.45Å; I147-T175 WeakPolarHBondContact CG1-O 3.31Å; I147-T175 PolarHBondContact N-O 3.46Å; T175-M181 VanDerWaalsContact CA-O 3.31Å; T175-M181 WeakPolarHBondContact CA-O 3.34Å; T175-M181 WeakPolarHBondContact CB-O 3.41Å; T175-N182 HydrophobicContact CG2-CB 3.9Å; T175-V186 HydrophobicContact CG2-CG2 3.59Å
176	S	97.9	Very high	96.9	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-128.7	110.8	163.3	173.8	0	0	0	0	108.2	D148 K178 Y179 R180 M181	D148-S176 WeakPolarHBondContact OD1-CB 3.36Å; D148-S176 PolarHBondContact OD1-OG 3.31Å; S176-K178 PolarHBondContact O-N 3Å; S176-K178 PolarHBondContact OG-N 3.5Å; S176-Y179 PolarHBondContact O-N 3.34Å; S176-Y179 PolarHBondContact OG-N 3.09Å; S176-Y179 VanDerWaalsContact OG-N 3.13Å; S176-R180 CarbonylContact O-C 3.59Å; S176-R180 VanDerWaalsContact O-CA 3.28Å; S176-R180 WeakPolarHBondContact O-CA 3.49Å; S176-R180 PolarHBondContact O-N 3.07Å; S176-M181 PolarHBondContact N-O 3.41Å; S176-M181 PolarHBondContact O-N 2.71Å
177	A	96.4	Very high	96.9	Very high	3 Å²	3	48 Å²	48	3%	0.025	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-34.3	170.7	0	0	0	0	0	111.4	A47 L48 Q51 F57 N145	A47-A177 HydrophobicContact CB-CB 3.74Å; L48-A177 HydrophobicContact CD2-CB 3.97Å; L48-A177 HydrophobicContact CG-CB 4.24Å; Q51-A177 WeakPolarHBondContact CG-O 3.47Å; Q51-A177 PolarHBondContact NE2-O 3.12Å; F57-A177 HydrophobicContact CD2-CB 4.28Å; F57-A177 HydrophobicContact CE2-CB 4.25Å; N145-A177 PolarHBondContact OD1-N 3.3Å
178	K	95.4	Very high	97	Very high	95 Å²	95	49.2 Å²	49.2	41%	0.413	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-47.7	179.5	-175.4	-175.7	-177.9	-175.9	0	112.5	F57 D148 S176	F57-K178 HydrophobicContact CD1-CG 4.44Å; F57-K178 HydrophobicContact CD2-CB 4.43Å; F57-K178 HydrophobicContact CE1-CB 4.43Å; F57-K178 HydrophobicContact CE1-CG 4.26Å; F57-K178 HydrophobicContact CE2-CB 4.2Å; F57-K178 HydrophobicContact CZ-CB 4.2Å; F57-K178 HydrophobicContact CZ-CG 4.48Å; D148-K178 VanDerWaalsContact OD2-CD 3.25Å; D148-K178 WeakPolarHBondContact OD2-CD 3.39Å; S176-K178 PolarHBondContact O-N 3Å; S176-K178 PolarHBondContact OG-N 3.5Å
179	Y	96	Very high	97.2	Very high	142 Å²	142	47.5 Å²	47.5	56%	0.557	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.2	6.2	-179.3	-61	-47.7	0	0	0	114.1	D148 S176 M181	D148-Y179 HydrophobicContact CB-CD2 3.58Å; D148-Y179 HydrophobicContact CB-CE2 3.3Å; S176-Y179 PolarHBondContact O-N 3.34Å; S176-Y179 PolarHBondContact OG-N 3.09Å; S176-Y179 VanDerWaalsContact OG-N 3.13Å; Y179-M181 HydrophobicContact CD2-SD 4.48Å; Y179-M181 PolarHBondContact O-N 3.38Å; Y179-M181 VanDerWaalsContact O-N 3.14Å
180	R	95.9	Very high	97.4	Very high	74 Å²	74	42 Å²	42	28%	0.279	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	26.6	-174.3	-164.4	168.5	169.5	-173.3	-4.5	113.4	Q51 Q55 S176 N182 V183 D184	Q51-R180 HydrophobicContact CG-CB 4.06Å; Q51-R180 HydrophobicContact CG-CG 3.87Å; Q55-R180 VanDerWaalsContact CG-NH1 3.25Å; Q55-R180 VanDerWaalsContact NE2-NH2 3.19Å; S176-R180 CarbonylContact O-C 3.59Å; S176-R180 VanDerWaalsContact O-CA 3.28Å; S176-R180 WeakPolarHBondContact O-CA 3.49Å; S176-R180 PolarHBondContact O-N 3.07Å; R180-N182 PolarHBondContact O-N 3.28Å; R180-V183 HydrophobicContact CG-CB 4.22Å; R180-V183 HydrophobicContact CG-CG2 4.34Å; R180-D184 IonicContact CZ-OD2 3.94Å; R180-D184 IonicContact NE-OD2 3.17Å; R180-D184 PolarHBondContact NE-OD2 3Å; R180-D184 VanDerWaalsContact NE-OD2 3.12Å; R180-D184 IonicContact NH2-OD1 3.13Å; R180-D184 IonicContact NH2-OD2 3.68Å; R180-D184 PolarHBondContact NH2-OD2 3.02Å
181	M	97.6	Very high	97.4	Very high	90 Å²	90	41.5 Å²	41.5	44%	0.443	19%	0.194	S	C	.	.	B	Isolated β-bridge	trans	-72.2	125.8	178.7	-67.1	177.6	70.4	0	0	109.7	I147 T175 S176 Y179 V183	I147-M181 HydrophobicContact CD1-CB 4.47Å; I147-M181 HydrophobicContact CD1-CE 3.99Å; I147-M181 HydrophobicContact CD1-SD 4.28Å; T175-M181 VanDerWaalsContact CA-O 3.31Å; T175-M181 WeakPolarHBondContact CA-O 3.34Å; T175-M181 WeakPolarHBondContact CB-O 3.41Å; S176-M181 PolarHBondContact N-O 3.41Å; S176-M181 PolarHBondContact O-N 2.71Å; Y179-M181 HydrophobicContact CD2-SD 4.48Å; Y179-M181 PolarHBondContact O-N 3.38Å; Y179-M181 VanDerWaalsContact O-N 3.14Å; M181-V183 PolarHBondContact O-N 2.81Å
182	N	97.7	Very high	97.4	Very high	63 Å²	63	44.4 Å²	44.4	34%	0.337	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	7.1	178.5	-64.5	-30.9	0	0	0	116.6	E174 T175 R180 D184 H185 V186	E174-N182 VanDerWaalsContact O-CB 3.24Å; E174-N182 WeakPolarHBondContact O-CB 3.38Å; E174-N182 PolarHBondContact O-ND2 3.36Å; T175-N182 HydrophobicContact CG2-CB 3.9Å; R180-N182 PolarHBondContact O-N 3.28Å; N182-D184 PolarHBondContact O-N 3.07Å; N182-H185 HydrophobicContact CB-CB 4.38Å; N182-H185 WeakPolarHBondContact O-CB 3.45Å; N182-H185 PolarHBondContact O-N 3.47Å; N182-V186 WeakPolarHBondContact O-CG2 3.29Å; N182-V186 PolarHBondContact O-N 2.96Å
183	V	97.5	Very high	97.3	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.006	20%	0.198	C	C	.	.	H	α-helix	trans	-59.1	-52.9	-178.1	177.2	0	0	0	0	110.7	L48 Q51 F52 R180 M181 H185 V186 F187	L48-V183 HydrophobicContact CD2-CG2 3.84Å; Q51-V183 HydrophobicContact CB-CG1 4.41Å; Q51-V183 HydrophobicContact CG-CG1 4.32Å; Q51-V183 HydrophobicContact CG-CG2 4.22Å; F52-V183 HydrophobicContact CB-CG1 3.78Å; R180-V183 HydrophobicContact CG-CB 4.22Å; R180-V183 HydrophobicContact CG-CG2 4.34Å; M181-V183 PolarHBondContact O-N 2.81Å; V183-H185 VanDerWaalsContact C-N 3.33Å; V183-H185 PolarHBondContact O-N 3.34Å; V183-V186 PolarHBondContact O-N 2.85Å; V183-F187 HydrophobicContact CG1-CE2 4.42Å; V183-F187 VanDerWaalsContact O-CD2 3.26Å; V183-F187 WeakPolarHBondContact O-CD2 3.4Å
184	D	96.3	Very high	97.3	Very high	44 Å²	44	41.1 Å²	41.1	24%	0.235	19%	0.186	C	C	.	.	H	α-helix	trans	-63.3	-41.5	177.3	-66.1	-59.1	0	0	0	110.8	F52 R180 N182 V186 F187 H188	F52-D184 WeakPolarHBondContact CD2-OD1 3.37Å; R180-D184 IonicContact CZ-OD2 3.94Å; R180-D184 IonicContact NE-OD2 3.17Å; R180-D184 PolarHBondContact NE-OD2 3Å; R180-D184 VanDerWaalsContact NE-OD2 3.12Å; R180-D184 IonicContact NH2-OD1 3.13Å; R180-D184 IonicContact NH2-OD2 3.68Å; R180-D184 PolarHBondContact NH2-OD2 3.02Å; N182-D184 PolarHBondContact O-N 3.07Å; D184-V186 VanDerWaalsContact C-N 3.3Å; D184-V186 PolarHBondContact O-N 2.64Å; D184-F187 PolarHBondContact O-N 3.21Å; D184-F187 VanDerWaalsContact O-N 3.13Å; D184-H188 PolarHBondContact O-CD2 2.66Å; D184-H188 PolarHBondContact O-N 2.92Å
185	H	97.6	Very high	97.2	Very high	114 Å²	114	40.9 Å²	40.9	53%	0.528	18%	0.184	S	C	.	.	H	α-helix	trans	-57.1	-38.5	-179.3	-72.4	-83.8	0	0	0	113.5	M173 N182 V183 H188 A189	M173-H185 HydrophobicContact SD-CB 4.05Å; N182-H185 HydrophobicContact CB-CB 4.38Å; N182-H185 WeakPolarHBondContact O-CB 3.45Å; N182-H185 PolarHBondContact O-N 3.47Å; V183-H185 VanDerWaalsContact C-N 3.33Å; V183-H185 PolarHBondContact O-N 3.34Å; H185-H188 PolarHBondContact O-N 3.01Å; H185-A189 VanDerWaalsContact O-CB 3.3Å; H185-A189 WeakPolarHBondContact O-CB 3.26Å; H185-A189 PolarHBondContact O-N 3.01Å
186	V	98.3	Very high	97	Very high	4 Å²	4	43.9 Å²	43.9	2%	0.024	21%	0.208	C	C	.	.	H	α-helix	trans	-58.5	-51.7	175.1	166.4	0	0	0	0	111.2	V108 V141 V143 M173 T175 N182 V183 D184 A189 L190	V108-V186 HydrophobicContact CG1-CG1 3.79Å; V108-V186 HydrophobicContact CG2-CG1 4.15Å; V141-V186 HydrophobicContact CG1-CG1 4.28Å; V143-V186 HydrophobicContact CG1-CG2 4.41Å; V143-V186 HydrophobicContact CG2-CB 4.33Å; V143-V186 HydrophobicContact CG2-CG1 3.62Å; V143-V186 HydrophobicContact CG2-CG2 3.67Å; M173-V186 HydrophobicContact CB-CG2 4.07Å; M173-V186 HydrophobicContact SD-CG2 3.98Å; T175-V186 HydrophobicContact CG2-CG2 3.59Å; N182-V186 WeakPolarHBondContact O-CG2 3.29Å; N182-V186 PolarHBondContact O-N 2.96Å; V183-V186 PolarHBondContact O-N 2.85Å; D184-V186 VanDerWaalsContact C-N 3.3Å; D184-V186 PolarHBondContact O-N 2.64Å; V186-A189 PolarHBondContact O-N 2.84Å; V186-L190 PolarHBondContact O-N 3.15Å
187	F	97.5	Very high	96.9	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.018	21%	0.213	C	C	.	.	H	α-helix	trans	-68.2	-37.4	-178.3	-68.7	-80.9	0	0	0	111.7	L35 V37 F52 V84 V108 V183 D184 L190 V191	L35-F187 HydrophobicContact CD1-CD1 3.96Å; V37-F187 HydrophobicContact CG2-CE1 4.49Å; F52-F187 HydrophobicContact CB-CD2 3.83Å; F52-F187 HydrophobicContact CB-CE2 3.45Å; F52-F187 VanDerWaalsContact CB-CE2 3.45Å; F52-F187 HydrophobicContact CB-CZ 4.15Å; F52-F187 HydrophobicContact CD1-CD1 4.11Å; F52-F187 AromaticContact CD1-CD2 3.73Å; F52-F187 HydrophobicContact CD1-CD2 3.73Å; F52-F187 HydrophobicContact CD1-CE1 4.14Å; F52-F187 AromaticContact CD1-CE2 3.8Å; F52-F187 HydrophobicContact CD1-CE2 3.8Å; F52-F187 AromaticContact CD1-CG 3.91Å; F52-F187 HydrophobicContact CD1-CG 3.91Å; F52-F187 AromaticContact CD1-CZ 4Å; F52-F187 HydrophobicContact CD1-CZ 4Å; F52-F187 HydrophobicContact CD2-CB 4.24Å; F52-F187 AromaticContact CD2-CD2 3.43Å; F52-F187 HydrophobicContact CD2-CD2 3.43Å; F52-F187 VanDerWaalsContact CD2-CD2 3.43Å; F52-F187 HydrophobicContact CD2-CE2 4.01Å; F52-F187 AromaticContact CD2-CG 3.97Å; F52-F187 HydrophobicContact CD2-CG 3.97Å; F52-F187 HydrophobicContact CE1-CB 4.25Å; F52-F187 HydrophobicContact CE1-CD1 4.07Å; F52-F187 HydrophobicContact CE1-CD2 4.16Å; F52-F187 HydrophobicContact CE1-CE1 4.48Å; F52-F187 AromaticContact CE1-CG 3.89Å; F52-F187 HydrophobicContact CE1-CG 3.89Å; F52-F187 HydrophobicContact CE2-CB 3.79Å; F52-F187 AromaticContact CE2-CD2 3.88Å; F52-F187 HydrophobicContact CE2-CD2 3.88Å; F52-F187 AromaticContact CE2-CG 3.95Å; F52-F187 HydrophobicContact CE2-CG 3.95Å; F52-F187 AromaticContact CG-CD2 3.35Å; F52-F187 HydrophobicContact CG-CD2 3.35Å; F52-F187 AromaticContact CG-CE2 3.47Å; F52-F187 HydrophobicContact CG-CE2 3.47Å; F52-F187 VanDerWaalsContact CG-CE2 3.47Å; F52-F187 AromaticContact CG-CG 3.96Å; F52-F187 HydrophobicContact CG-CG 3.96Å; F52-F187 HydrophobicContact CG-CZ 4.12Å; F52-F187 HydrophobicContact CZ-CB 3.8Å; F52-F187 HydrophobicContact CZ-CD1 4.47Å; F52-F187 HydrophobicContact CZ-CD2 4.23Å; F52-F187 AromaticContact CZ-CG 3.92Å; F52-F187 HydrophobicContact CZ-CG 3.92Å; V84-F187 HydrophobicContact CG1-CE1 3.9Å; V84-F187 HydrophobicContact CG1-CZ 4.4Å; V84-F187 HydrophobicContact CG2-CD1 4.45Å; V84-F187 HydrophobicContact CG2-CE1 4.1Å; V108-F187 HydrophobicContact CG2-CE1 4.38Å; V183-F187 HydrophobicContact CG1-CE2 4.42Å; V183-F187 VanDerWaalsContact O-CD2 3.26Å; V183-F187 WeakPolarHBondContact O-CD2 3.4Å; D184-F187 PolarHBondContact O-N 3.21Å; D184-F187 VanDerWaalsContact O-N 3.13Å; F187-L190 PolarHBondContact O-N 2.86Å; F187-V191 VanDerWaalsContact O-CG2 3.26Å; F187-V191 WeakPolarHBondContact O-CG2 3.21Å; F187-V191 PolarHBondContact O-N 2.91Å
188	H	97.2	Very high	96.8	Very high	50 Å²	50	47.2 Å²	47.2	23%	0.231	22%	0.223	C	C	.	.	H	α-helix	trans	-59.8	-47.9	171.7	-84.4	-100	0	0	0	112.1	M73 I74 D184 H185 L190 V191 R192	M73-H188 HydrophobicContact CE-CB 4.43Å; M73-H188 WeakPolarHBondContact CE-CD2 3.39Å; M73-H188 VanDerWaalsContact CE-CE1 3.42Å; M73-H188 WeakPolarHBondContact CE-CE1 3.28Å; M73-H188 VanDerWaalsContact CE-CG 3.49Å; M73-H188 WeakPolarHBondContact CE-NE2 3.43Å; I74-H188 PolarHBondContact O-CE1 3.45Å; D184-H188 PolarHBondContact O-CD2 2.66Å; D184-H188 PolarHBondContact O-N 2.92Å; H185-H188 PolarHBondContact O-N 3.01Å; H188-L190 VanDerWaalsContact C-N 3.35Å; H188-L190 PolarHBondContact O-N 3.18Å; H188-V191 PolarHBondContact O-N 3.26Å; H188-R192 WeakPolarHBondContact O-CG 3.39Å; H188-R192 PolarHBondContact O-N 3.03Å
189	A	97.6	Very high	96.6	Very high	11 Å²	11	44.8 Å²	44.8	9%	0.091	22%	0.221	C	C	.	.	H	α-helix	trans	-63.9	-40	179.9	0	0	0	0	0	112.1	V141 M173 H185 V186 R192 S193	V141-A189 HydrophobicContact CG2-CB 4.45Å; M173-A189 HydrophobicContact CE-CB 3.61Å; M173-A189 HydrophobicContact SD-CB 4.45Å; H185-A189 VanDerWaalsContact O-CB 3.3Å; H185-A189 WeakPolarHBondContact O-CB 3.26Å; H185-A189 PolarHBondContact O-N 3.01Å; V186-A189 PolarHBondContact O-N 2.84Å; A189-R192 PolarHBondContact O-N 3.49Å; A189-S193 PolarHBondContact O-N 2.96Å; A189-S193 PolarHBondContact O-OG 2.88Å
190	L	98.2	Very high	96.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-64.7	-45.6	176	-176.4	56.6	0	0	0	111.2	L35 V108 P139 V141 V186 F187 H188 R192 S193 V194	L35-L190 HydrophobicContact CB-CD2 4.21Å; L35-L190 HydrophobicContact CD1-CD2 4.12Å; L35-L190 HydrophobicContact CD2-CD2 3.88Å; L35-L190 HydrophobicContact CD2-CG 4.06Å; L35-L190 HydrophobicContact CG-CD2 4.29Å; V108-L190 HydrophobicContact CG2-CD2 3.51Å; P139-L190 HydrophobicContact CB-CD1 4.27Å; V141-L190 HydrophobicContact CG2-CB 3.86Å; V141-L190 HydrophobicContact CG2-CD1 4.13Å; V186-L190 PolarHBondContact O-N 3.15Å; F187-L190 PolarHBondContact O-N 2.86Å; H188-L190 VanDerWaalsContact C-N 3.35Å; H188-L190 PolarHBondContact O-N 3.18Å; L190-R192 VanDerWaalsContact C-N 3.29Å; L190-R192 PolarHBondContact O-N 3.47Å; L190-S193 WeakPolarHBondContact O-CB 3.39Å; L190-S193 PolarHBondContact O-N 2.81Å; L190-S193 VanDerWaalsContact O-N 3.08Å; L190-V194 HydrophobicContact CD1-CG2 4.34Å; L190-V194 HydrophobicContact CG-CG2 4.46Å; L190-V194 WeakPolarHBondContact O-CG2 3.42Å; L190-V194 PolarHBondContact O-N 2.75Å
191	V	97.4	Very high	96.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-58.6	-41.3	176.4	171.6	0	0	0	0	111.7	Y33 L35 M73 V75 L82 F187 H188 V194 R195	Y33-V191 HydrophobicContact CD2-CG1 4.03Å; Y33-V191 HydrophobicContact CD2-CG2 4.38Å; Y33-V191 HydrophobicContact CE2-CG1 3.76Å; L35-V191 HydrophobicContact CD1-CG2 4.26Å; M73-V191 HydrophobicContact SD-CG2 4.44Å; V75-V191 HydrophobicContact CB-CG1 4.04Å; V75-V191 HydrophobicContact CG1-CB 4.43Å; V75-V191 HydrophobicContact CG1-CG1 4.02Å; V75-V191 HydrophobicContact CG2-CB 4.12Å; V75-V191 HydrophobicContact CG2-CG1 3.86Å; V75-V191 HydrophobicContact CG2-CG2 4.47Å; L82-V191 HydrophobicContact CD1-CG2 4.18Å; L82-V191 HydrophobicContact CD2-CG2 3.59Å; F187-V191 VanDerWaalsContact O-CG2 3.26Å; F187-V191 WeakPolarHBondContact O-CG2 3.21Å; F187-V191 PolarHBondContact O-N 2.91Å; H188-V191 PolarHBondContact O-N 3.26Å; V191-V194 PolarHBondContact O-N 3.32Å; V191-R195 WeakPolarHBondContact O-CB 3.16Å; V191-R195 WeakPolarHBondContact O-CG 3.33Å; V191-R195 PolarHBondContact O-N 2.9Å
192	R	97.1	Very high	95.8	Very high	107 Å²	107	42.3 Å²	42.3	40%	0.404	22%	0.215	S	C	.	.	H	α-helix	trans	-61.5	-43.4	174.3	-70.9	-178.5	-170.5	121.2	-0.6	112.1	V75 D76 H188 A189 L190 R195 A196	V75-R192 HydrophobicContact CG1-CG 3.97Å; D76-R192 IonicContact OD1-CZ 3.61Å; D76-R192 IonicContact OD1-NE 3.75Å; D76-R192 PolarHBondContact OD1-NE 3.48Å; D76-R192 IonicContact OD1-NH2 3.3Å; D76-R192 PolarHBondContact OD1-NH2 2.89Å; D76-R192 WeakPolarHBondContact OD2-CG 3.5Å; D76-R192 IonicContact OD2-NE 3.82Å; D76-R192 PolarHBondContact OD2-NE 3.41Å; H188-R192 WeakPolarHBondContact O-CG 3.39Å; H188-R192 PolarHBondContact O-N 3.03Å; A189-R192 PolarHBondContact O-N 3.49Å; L190-R192 VanDerWaalsContact C-N 3.29Å; L190-R192 PolarHBondContact O-N 3.47Å; R192-R195 PolarHBondContact O-N 3.31Å; R192-A196 WeakPolarHBondContact O-CB 3.42Å; R192-A196 PolarHBondContact O-N 2.9Å
193	S	97	Very high	95.2	Very high	16 Å²	16	45.1 Å²	45.1	11%	0.112	23%	0.226	C	C	.	.	H	α-helix	trans	-62.9	-42.3	177.7	-55.9	0	0	0	0	111.6	A189 L190 A196 F197	A189-S193 PolarHBondContact O-N 2.96Å; A189-S193 PolarHBondContact O-OG 2.88Å; L190-S193 WeakPolarHBondContact O-CB 3.39Å; L190-S193 PolarHBondContact O-N 2.81Å; L190-S193 VanDerWaalsContact O-N 3.08Å; S193-A196 PolarHBondContact O-N 3.18Å; S193-F197 WeakPolarHBondContact O-CB 3.36Å; S193-F197 PolarHBondContact O-N 3.05Å
194	V	97.1	Very high	94.6	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.006	25%	0.251	C	S	.	.	H	α-helix	trans	-63.2	-44.1	174.7	176.8	0	0	0	0	111.3	Y33 L35 D105 P139 L190 V191 F197 Q198	Y33-V194 HydrophobicContact CD1-CG1 3.62Å; Y33-V194 HydrophobicContact CE1-CG1 3.82Å; L35-V194 HydrophobicContact CD2-CG2 4.38Å; D105-V194 HydrophobicContact CB-CG1 4.02Å; D105-V194 WeakPolarHBondContact O-CG2 3.31Å; P139-V194 HydrophobicContact CB-CB 4.45Å; P139-V194 HydrophobicContact CB-CG2 3.66Å; P139-V194 HydrophobicContact CG-CG2 4.13Å; L190-V194 HydrophobicContact CD1-CG2 4.34Å; L190-V194 HydrophobicContact CG-CG2 4.46Å; L190-V194 WeakPolarHBondContact O-CG2 3.42Å; L190-V194 PolarHBondContact O-N 2.75Å; V191-V194 PolarHBondContact O-N 3.32Å; V194-F197 PolarHBondContact O-N 3.4Å; V194-Q198 HydrophobicContact CG1-CG 4.29Å; V194-Q198 WeakPolarHBondContact O-CB 3.25Å; V194-Q198 VanDerWaalsContact O-CG 3.31Å; V194-Q198 WeakPolarHBondContact O-CG 2.93Å; V194-Q198 PolarHBondContact O-N 3.3Å
195	R	95.8	Very high	94	Very high	39 Å²	39	52.1 Å²	52.1	15%	0.147	27%	0.267	C	S	.	.	H	α-helix	trans	-60.6	-45.4	176.4	-78.6	176.1	173.2	175.7	-0.5	112.2	Y33 V75 E78 V191 R192 Q198 A199	Y33-R195 WeakPolarHBondContact OH-CG 3.33Å; Y33-R195 PolarHBondContact OH-NE 3.06Å; V75-R195 PolarHBondContact O-NH1 3.17Å; E78-R195 IonicContact OE2-CZ 3.07Å; E78-R195 IonicContact OE2-NE 2.73Å; E78-R195 IonicContact OE2-NH1 3.09Å; E78-R195 IonicContact OE2-NH2 3.31Å; E78-R195 PolarHBondContact OE2-NH2 3.04Å; V191-R195 WeakPolarHBondContact O-CB 3.16Å; V191-R195 WeakPolarHBondContact O-CG 3.33Å; V191-R195 PolarHBondContact O-N 2.9Å; R192-R195 PolarHBondContact O-N 3.31Å; R195-Q198 PolarHBondContact O-N 3.35Å; R195-A199 WeakPolarHBondContact O-CB 3.06Å; R195-A199 PolarHBondContact O-N 2.87Å
196	A	95.1	Very high	93.3	Very high	63 Å²	63	51.2 Å²	51.2	52%	0.521	27%	0.269	S	S	.	.	H	α-helix	trans	-61.7	-47	177.9	0	0	0	0	0	111.3	R192 S193 A199 S200	R192-A196 WeakPolarHBondContact O-CB 3.42Å; R192-A196 PolarHBondContact O-N 2.9Å; S193-A196 PolarHBondContact O-N 3.18Å; A196-A199 WeakPolarHBondContact O-CB 3.14Å; A196-A199 PolarHBondContact O-N 3.45Å; A196-S200 PolarHBondContact O-N 3.49Å
197	F	95.5	Very high	92.2	Very high	21 Å²	21	56.8 Å²	56.8	9%	0.092	30%	0.295	C	S	.	.	H	α-helix	trans	-62	-46.8	177	179.8	-98.8	0	0	0	112.6	Y137 Y138 P139 S193 V194 A199 S200 E201	Y137-F197 AromaticContact CD1-CD2 3.81Å; Y137-F197 HydrophobicContact CD1-CD2 3.81Å; Y137-F197 HydrophobicContact CD1-CE2 4.16Å; Y137-F197 AromaticContact CE1-CD2 3.88Å; Y137-F197 HydrophobicContact CE1-CD2 3.88Å; Y138-F197 HydrophobicContact CD2-CE1 4.05Å; Y138-F197 HydrophobicContact CD2-CE2 4.4Å; Y138-F197 AromaticContact CD2-CZ 3.79Å; Y138-F197 HydrophobicContact CD2-CZ 3.79Å; Y138-F197 AromaticContact CE2-CE1 3.68Å; Y138-F197 HydrophobicContact CE2-CE1 3.68Å; Y138-F197 AromaticContact CE2-CZ 3.85Å; Y138-F197 HydrophobicContact CE2-CZ 3.85Å; P139-F197 HydrophobicContact CG-CB 3.46Å; P139-F197 VanDerWaalsContact CG-CB 3.46Å; P139-F197 HydrophobicContact CG-CD1 3.96Å; P139-F197 HydrophobicContact CG-CD2 4.34Å; P139-F197 HydrophobicContact CG-CG 3.66Å; S193-F197 WeakPolarHBondContact O-CB 3.36Å; S193-F197 PolarHBondContact O-N 3.05Å; V194-F197 PolarHBondContact O-N 3.4Å; F197-A199 PolarHBondContact O-N 2.65Å; F197-S200 PolarHBondContact O-N 2.88Å; F197-S200 PolarHBondContact O-OG 3.44Å; F197-E201 HydrophobicContact CD1-CG 4.18Å; F197-E201 HydrophobicContact CE1-CG 3.83Å; F197-E201 HydrophobicContact CE2-CG 4.39Å; F197-E201 HydrophobicContact CZ-CG 3.94Å; F197-E201 VanDerWaalsContact O-CG 3.3Å; F197-E201 WeakPolarHBondContact O-CG 3.23Å; F197-E201 PolarHBondContact O-N 3.36Å
198	Q	93.9	Very high	91.3	Very high	53 Å²	53	59.1 Å²	59.1	25%	0.248	32%	0.315	C	S	.	.	H	α-helix	trans	-63.6	-30	176.8	-71.3	-179.4	4.4	0	0	112.6	V194 R195 R202	V194-Q198 HydrophobicContact CG1-CG 4.29Å; V194-Q198 WeakPolarHBondContact O-CB 3.25Å; V194-Q198 VanDerWaalsContact O-CG 3.31Å; V194-Q198 WeakPolarHBondContact O-CG 2.93Å; V194-Q198 PolarHBondContact O-N 3.3Å; R195-Q198 PolarHBondContact O-N 3.35Å; Q198-R202 VanDerWaalsContact O-CG 3.28Å; Q198-R202 WeakPolarHBondContact O-CG 3.25Å; Q198-R202 PolarHBondContact O-N 3.34Å
199	A	93	Very high	90.5	Very high	44 Å²	44	59.8 Å²	59.8	36%	0.364	33%	0.329	S	S	.	.	H	α-helix	trans	-70.7	-42.7	175	0	0	0	0	0	112	R195 A196 F197 R202 Q203	R195-A199 WeakPolarHBondContact O-CB 3.06Å; R195-A199 PolarHBondContact O-N 2.87Å; A196-A199 WeakPolarHBondContact O-CB 3.14Å; A196-A199 PolarHBondContact O-N 3.45Å; F197-A199 PolarHBondContact O-N 2.65Å; A199-R202 PolarHBondContact O-N 3.42Å; A199-Q203 WeakPolarHBondContact O-CG 3.05Å; A199-Q203 PolarHBondContact O-N 3.13Å
200	S	92.6	Very high	89.5	Confident	49 Å²	49	62.5 Å²	62.5	34%	0.343	35%	0.352	S	S	.	.	H	α-helix	trans	-64.9	-41.5	176.3	60.2	0	0	0	0	112.1	A196 F197 R202 Q203 L204	A196-S200 PolarHBondContact O-N 3.49Å; F197-S200 PolarHBondContact O-N 2.88Å; F197-S200 PolarHBondContact O-OG 3.44Å; S200-R202 VanDerWaalsContact C-N 3.31Å; S200-R202 PolarHBondContact O-N 3.37Å; S200-Q203 PolarHBondContact O-N 2.74Å; S200-Q203 VanDerWaalsContact O-N 3.15Å; S200-L204 PolarHBondContact O-N 3.13Å; S200-L204 VanDerWaalsContact O-N 3.08Å
201	E	90	Very high	88.4	Confident	52 Å²	52	70.8 Å²	70.8	24%	0.243	39%	0.391	C	S	.	.	H	α-helix	trans	-60.4	-40.5	176.7	-68.5	-69.2	109.9	0	0	111.8	R135 F197 Q203 L204 T205	R135-E201 IonicContact CZ-OE2 3.92Å; R135-E201 IonicContact NE-OE2 3.67Å; R135-E201 IonicContact NH2-OE2 2.59Å; R135-E201 PolarHBondContact NH2-OE2 2.78Å; F197-E201 HydrophobicContact CD1-CG 4.18Å; F197-E201 HydrophobicContact CE1-CG 3.83Å; F197-E201 HydrophobicContact CE2-CG 4.39Å; F197-E201 HydrophobicContact CZ-CG 3.94Å; F197-E201 VanDerWaalsContact O-CG 3.3Å; F197-E201 WeakPolarHBondContact O-CG 3.23Å; F197-E201 PolarHBondContact O-N 3.36Å; E201-Q203 VanDerWaalsContact C-N 3.34Å; E201-Q203 PolarHBondContact O-N 2.76Å; E201-L204 PolarHBondContact O-N 2.68Å; E201-T205 WeakPolarHBondContact O-CG2 3.48Å; E201-T205 PolarHBondContact O-N 3.24Å; E201-T205 VanDerWaalsContact O-N 3.11Å; E201-T205 PolarHBondContact O-OG1 2.87Å
202	R	89.2	Confident	87.2	Confident	152 Å²	152	79 Å²	79	57%	0.574	43%	0.429	S	S	*	.	H	α-helix	trans	-65.1	-37.6	176.5	-73	172.9	-169.2	172.6	8.4	112.4	Q198 A199 S200 T205 T206	Q198-R202 VanDerWaalsContact O-CG 3.28Å; Q198-R202 WeakPolarHBondContact O-CG 3.25Å; Q198-R202 PolarHBondContact O-N 3.34Å; A199-R202 PolarHBondContact O-N 3.42Å; S200-R202 VanDerWaalsContact C-N 3.31Å; S200-R202 PolarHBondContact O-N 3.37Å; R202-T205 WeakPolarHBondContact CA-OG1 3.49Å; R202-T205 PolarHBondContact O-N 2.92Å; R202-T205 PolarHBondContact O-OG1 3.31Å; R202-T206 WeakPolarHBondContact O-CB 3.19Å; R202-T206 PolarHBondContact O-N 3.13Å; R202-T206 PolarHBondContact O-OG1 3.08Å
203	Q	85.9	Confident	85.7	Confident	122 Å²	122	76.8 Å²	76.8	57%	0.57	43%	0.434	S	S	*	.	H	α-helix	trans	-64.8	-43.9	177	-70.2	174.9	3.5	0	0	111.4	A199 S200 E201 T205 T206 Q207	A199-Q203 WeakPolarHBondContact O-CG 3.05Å; A199-Q203 PolarHBondContact O-N 3.13Å; S200-Q203 PolarHBondContact O-N 2.74Å; S200-Q203 VanDerWaalsContact O-N 3.15Å; E201-Q203 VanDerWaalsContact C-N 3.34Å; E201-Q203 PolarHBondContact O-N 2.76Å; Q203-T205 PolarHBondContact O-N 3.01Å; Q203-T206 PolarHBondContact O-N 3.27Å; Q203-Q207 WeakPolarHBondContact O-CG 3.48Å; Q203-Q207 PolarHBondContact O-N 3.05Å
204	L	84.8	Confident	84.5	Confident	101 Å²	101	81.2 Å²	81.2	53%	0.529	46%	0.462	S	S	.	.	H	α-helix	trans	-59	-46.1	176.2	-69.6	167	0	0	0	111.9	S200 E201 T206 Q207 A208	S200-L204 PolarHBondContact O-N 3.13Å; S200-L204 VanDerWaalsContact O-N 3.08Å; E201-L204 PolarHBondContact O-N 2.68Å; L204-T206 VanDerWaalsContact C-N 3.32Å; L204-T206 PolarHBondContact O-N 2.92Å; L204-Q207 PolarHBondContact O-N 2.97Å; L204-A208 PolarHBondContact O-N 2.8Å
205	T	83.8	Confident	83.1	Confident	91 Å²	91	87.1 Å²	87.1	56%	0.558	50%	0.5	S	S	*	.	H	α-helix	trans	-65.1	-34.5	177.3	57.6	0	0	0	0	113.3	E201 R202 Q203 A209	E201-T205 WeakPolarHBondContact O-CG2 3.48Å; E201-T205 PolarHBondContact O-N 3.24Å; E201-T205 VanDerWaalsContact O-N 3.11Å; E201-T205 PolarHBondContact O-OG1 2.87Å; R202-T205 WeakPolarHBondContact CA-OG1 3.49Å; R202-T205 PolarHBondContact O-N 2.92Å; R202-T205 PolarHBondContact O-OG1 3.31Å; Q203-T205 PolarHBondContact O-N 3.01Å; T205-A209 WeakPolarHBondContact O-CB 3.29Å; T205-A209 PolarHBondContact O-N 3.25Å; T205-A209 VanDerWaalsContact O-N 3.15Å
206	T	81.5	Confident	81.5	Confident	95 Å²	95	96.9 Å²	96.9	58%	0.583	54%	0.537	S	S	*	.	H	α-helix	trans	-71.9	-37.2	179.5	-54.2	0	0	0	0	111.3	R202 Q203 L204 A210	R202-T206 WeakPolarHBondContact O-CB 3.19Å; R202-T206 PolarHBondContact O-N 3.13Å; R202-T206 PolarHBondContact O-OG1 3.08Å; Q203-T206 PolarHBondContact O-N 3.27Å; L204-T206 VanDerWaalsContact C-N 3.32Å; L204-T206 PolarHBondContact O-N 2.92Å; T206-A210 PolarHBondContact O-N 3.29Å; T206-A210 VanDerWaalsContact O-N 3.17Å
207	Q	76.8	Confident	79.7	Confident	121 Å²	121	105.7 Å²	105.7	57%	0.565	56%	0.557	S	S	*	*	H	α-helix	trans	-68.1	-46.4	176.5	-71.1	174.4	10.8	0	0	111.6	Q203 L204 A209 A210 E211	Q203-Q207 WeakPolarHBondContact O-CG 3.48Å; Q203-Q207 PolarHBondContact O-N 3.05Å; L204-Q207 PolarHBondContact O-N 2.97Å; Q207-A209 VanDerWaalsContact C-N 3.31Å; Q207-A209 PolarHBondContact O-N 2.89Å; Q207-A210 WeakPolarHBondContact O-CB 3.45Å; Q207-A210 PolarHBondContact O-N 2.75Å; Q207-E211 PolarHBondContact O-N 3.26Å; Q207-E211 VanDerWaalsContact O-N 3.14Å
208	A	78.8	Confident	77.8	Confident	53 Å²	53	116.1 Å²	116.1	44%	0.438	60%	0.596	S	S	.	*	H	α-helix	trans	-58.9	-42.1	176.5	0	0	0	0	0	112.4	L204 A210 E211 E212	L204-A208 PolarHBondContact O-N 2.8Å; A208-A210 VanDerWaalsContact C-N 3.29Å; A208-A210 PolarHBondContact O-N 2.85Å; A208-E211 PolarHBondContact O-N 2.62Å; A208-E212 PolarHBondContact O-N 3.39Å
209	A	78.6	Confident	76.1	Confident	64 Å²	64	117.6 Å²	117.6	53%	0.529	62%	0.617	S	S	.	*	H	α-helix	trans	-67.3	-27.2	176.6	0	0	0	0	0	113.6	T205 Q207	T205-A209 WeakPolarHBondContact O-CB 3.29Å; T205-A209 PolarHBondContact O-N 3.25Å; T205-A209 VanDerWaalsContact O-N 3.15Å; Q207-A209 VanDerWaalsContact C-N 3.31Å; Q207-A209 PolarHBondContact O-N 2.89Å
210	A	77.2	Confident	74.5	Confident	69 Å²	69	123.8 Å²	123.8	57%	0.57	64%	0.643	S	S	*	*	H	α-helix	trans	-76.3	-33	176.9	0	0	0	0	0	112.3	T206 Q207 A208	T206-A210 PolarHBondContact O-N 3.29Å; T206-A210 VanDerWaalsContact O-N 3.17Å; Q207-A210 WeakPolarHBondContact O-CB 3.45Å; Q207-A210 PolarHBondContact O-N 2.75Å; A208-A210 VanDerWaalsContact C-N 3.29Å; A208-A210 PolarHBondContact O-N 2.85Å
211	E	76.3	Confident	73	Confident	174 Å²	174	129.6 Å²	129.6	81%	0.813	67%	0.669	S	S	*	*	H	α-helix	trans	-75.6	-34	177.7	-70	-173.7	161.6	0	0	112.9	Q207 A208 A213	Q207-E211 PolarHBondContact O-N 3.26Å; Q207-E211 VanDerWaalsContact O-N 3.14Å; A208-E211 PolarHBondContact O-N 2.62Å; E211-A213 VanDerWaalsContact C-N 3.27Å; E211-A213 PolarHBondContact O-N 2.54Å
212	E	72.1	Confident	71.2	Confident	171 Å²	171	130.5 Å²	130.5	80%	0.799	69%	0.693	S	S	*	*	S	Bend	trans	-78	-7.5	176.1	-72.7	-172.2	161.5	0	0	113.9	A208 P214	A208-E212 PolarHBondContact O-N 3.39Å; E212-P214 WeakPolarHBondContact O-CD 3.41Å
213	A	65.4	Low	69.7	Low	61 Å²	61	128.1 Å²	128.1	50%	0.504	70%	0.699	S	S	.	*	S	Bend	trans	-66	120.5	179.5	0	0	0	0	0	110.5	E211	E211-A213 VanDerWaalsContact C-N 3.27Å; E211-A213 PolarHBondContact O-N 2.54Å
214	P	71.3	Confident	68.2	Low	109 Å²	109	128 Å²	128	71%	0.708	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-61.8	145.5	-177.8	23.7	-32.1	0	0	0	110.6	E212 R216	E212-P214 WeakPolarHBondContact O-CD 3.41Å; P214-R216 PolarHBondContact O-N 3.03Å
215	P	68.1	Low	66.9	Low	125 Å²	125	128.9 Å²	128.9	81%	0.812	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-57.8	120.6	-178.6	22.4	-31.7	0	0	0	109.2	R217	P215-R217 PolarHBondContact O-N 3.37Å
216	R	62.7	Low	65.3	Low	245 Å²	245	130.3 Å²	130.3	93%	0.925	74%	0.735	S	S	*	*			trans	-56.9	110.6	175.6	-77.3	-172.1	171.6	-159	-1.5	108.1	P214 R218	P214-R216 PolarHBondContact O-N 3.03Å; R216-R218 PolarHBondContact O-N 2.94Å
217	R	55.7	Low	64.2	Low	248 Å²	248	130.8 Å²	130.8	94%	0.936	74%	0.743	S	S	*	*			trans	-51	116.8	168.9	-82.9	-175.3	171.2	-169.8	-2	107.5	P215 A219	P215-R217 PolarHBondContact O-N 3.37Å; R217-A219 PolarHBondContact O-N 2.83Å
218	R	55.4	Low	63.1	Low	240 Å²	240	135.7 Å²	135.7	91%	0.906	76%	0.762	S	S	*	*			trans	-58.2	102.2	176.5	-159.1	173.8	177.2	179.2	-1.3	107.1	R216 L220	R216-R218 PolarHBondContact O-N 2.94Å; R218-L220 PolarHBondContact O-N 3.21Å
219	A	58.8	Low	61.7	Low	83 Å²	83	136.9 Å²	136.9	69%	0.686	78%	0.78	S	S	*	*			trans	-61.1	110	171.3	0	0	0	0	0	106.6	R217 L221	R217-A219 PolarHBondContact O-N 2.83Å; A219-L221 VanDerWaalsContact C-N 3.29Å; A219-L221 PolarHBondContact O-N 3.29Å
220	L	59.9	Low	60.6	Low	175 Å²	175	138.9 Å²	138.9	92%	0.916	79%	0.79	S	S	*	*			trans	-59.9	98.4	166.7	-79.4	149.7	0	0	0	106.5	R218 G222	R218-L220 PolarHBondContact O-N 3.21Å; L220-G222 PolarHBondContact O-N 3.48Å
221	L	60.4	Low	59.5	Low	171 Å²	171	142.8 Å²	142.8	90%	0.895	80%	0.796	S	S	*	*			trans	-65.5	87.1	163.5	-79.4	147.2	0	0	0	106.6	A219 S223	A219-L221 VanDerWaalsContact C-N 3.29Å; A219-L221 PolarHBondContact O-N 3.29Å; L221-S223 PolarHBondContact O-N 3.18Å; L221-S223 VanDerWaalsContact O-N 3.16Å
222	G	51.6	Low	58.4	Low	71 Å²	71	144.6 Å²	144.6	73%	0.732	80%	0.796	S	S	*	*			trans	-62.1	110.3	164	0	0	0	0	0	107.9	L220 S224	L220-G222 PolarHBondContact O-N 3.48Å; G222-S224 PolarHBondContact O-N 3.31Å; G222-S224 VanDerWaalsContact O-N 3.17Å
223	S	59.3	Low	57.3	Low	101 Å²	101	148.1 Å²	148.1	71%	0.706	80%	0.802	S	S	*	*			trans	-55.2	112.6	174.9	49.2	0	0	0	0	110.6	L221 T225	L221-S223 PolarHBondContact O-N 3.18Å; L221-S223 VanDerWaalsContact O-N 3.16Å; S223-T225 PolarHBondContact O-N 3.25Å
224	S	53.6	Low	56.9	Low	120 Å²	120	150.9 Å²	150.9	84%	0.839	82%	0.817	S	S	*	*			trans	-74.3	96.2	162.9	53.8	0	0	0	0	108.7	G222	G222-S224 PolarHBondContact O-N 3.31Å; G222-S224 VanDerWaalsContact O-N 3.17Å
225	T	56.9	Low	56.2	Low	120 Å²	120	151.6 Å²	151.6	74%	0.736	82%	0.82	S	S	*	*			trans	-83.7	110.5	162.7	47.8	0	0	0	0	108.6	S223 S227	S223-T225 PolarHBondContact O-N 3.25Å; T225-S227 PolarHBondContact O-N 3.44Å
226	S	50.5	Low	55.2	Low	121 Å²	121	151.4 Å²	151.4	85%	0.846	82%	0.82	S	S	*	*			trans	-64.7	120.2	166.7	51.3	0	0	0	0	110.4
227	S	58.3	Low	55	Low	105 Å²	105	146.4 Å²	146.4	73%	0.734	82%	0.816	S	S	*	*			trans	-144.4	105.5	161.6	55.9	0	0	0	0	110.4	T225	T225-S227 PolarHBondContact O-N 3.44Å
228	F	55.2	Low	54.4	Low	223 Å²	223	142.1 Å²	142.1	98%	0.978	81%	0.811	S	S	*	*			trans	0.1	128.9	141.3	-104.7	-107.6	0	0	0	116.4
229	G	48.2	Very low	54.4	Low	78 Å²	78	139.9 Å²	139.9	80%	0.804	83%	0.832	S	S	*	*			trans	175.5	85.1	169.4	0	0	0	0	0	113.5
230	S	54.8	Low	54.2	Low	107 Å²	107	142.8 Å²	142.8	75%	0.748	84%	0.84	S	S	*	*			trans	-65.4	152.8	174.8	-166.9	0	0	0	0	112.4
231	H	54.7	Low	53.9	Low	150 Å²	150	141.1 Å²	141.1	69%	0.694	84%	0.836	S	S	*	*			trans	106	112.2	154.2	-78.3	19.6	0	0	0	121.3
232	R	53.4	Low	53.5	Low	213 Å²	213	139.4 Å²	139.4	80%	0.804	83%	0.832	S	S	*	*			trans	83.7	105.2	130.2	-70.6	-178.9	179.3	-128.2	1.2	119.6
233	R	49.7	Very low	53.6	Low	245 Å²	245	143.4 Å²	143.4	93%	0.925	84%	0.838	S	S	*	*				29.6	118.7	126.2	-64.7	-176.5	178.8	-165.8	-0.8	116.8
234	S	57	Low	53.3	Low	119 Å²	119	146.1 Å²	146.1	83%	0.832	85%	0.847	S	S	*	*				-167.8	144.6	106.6	-157.8	0	0	0	0	111.5
235	T	55	Low	53.2	Low	124 Å²	124	147.8 Å²	147.8	76%	0.761	85%	0.847	S	S	*	*			trans	-79.4	143.3	177.5	37.8	0	0	0	0	113.1
236	C	47.2	Very low	53	Low	121 Å²	121	149.8 Å²	149.8	82%	0.818	86%	0.855	S	S	*	*			trans	-171.3	105.8	141.4	-95.9	0	0	0	0	107
237	V	58.2	Low	53.2	Low	140 Å²	140	152 Å²	152	85%	0.848	86%	0.856	S	S	*	*				68.7	125	89	-176.8	0	0	0	0	113.7
238	L	44.9	Very low	52.7	Low	158 Å²	158	155.9 Å²	155.9	83%	0.827	87%	0.866	S	S	*	*			trans	-62.7	152.1	-176.7	-71.4	131.9	0	0	0	115
239	S	54.5	Low	52.5	Low	193 Å²	193	149.8 Å²	149.8	100%	1.35	86%	0.856	S	S	*	*				-135.4	0	128.2	-71.2	0	0	0	0	108.2

Retrieved 239 of 239 residues in 302 ms (Link to these results)

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