A0A077ZLY8_TRITR Loading...

Glyco hydro 19 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZLY8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 337 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.5	Very low	29.5	Very low	247 Å²	247	157.1 Å²	157.1	100%	1.217	79%	0.791	S	S	*	*				0	88.4	0	-85	174.8	163.4	0	0	107.6
2	M	31	Very low	29.7	Very low	195 Å²	195	156.2 Å²	156.2	96%	0.961	79%	0.789	S	S	*	*			trans	-91.1	125.2	175.7	-81.1	-175	167.3	0	0	108.8	K4	M2-K4 PolarHBondContact O-N 3.09Å
3	A	28	Very low	29.6	Very low	98 Å²	98	153.6 Å²	153.6	81%	0.81	78%	0.778	S	S	*	*			trans	-62.8	130.1	-169.6	0	0	0	0	0	111	A5	A3-A5 VanDerWaalsContact C-N 3.34Å; A3-A5 PolarHBondContact O-N 2.88Å
4	K	24.6	Very low	29.8	Very low	195 Å²	195	154.2 Å²	154.2	85%	0.848	78%	0.783	S	S	*	*			trans	-64.7	92.1	168.6	-74.9	174.1	174.1	175.9	0	108.5	M2 R6	M2-K4 PolarHBondContact O-N 3.09Å; K4-R6 PolarHBondContact O-N 2.69Å
5	A	29.2	Very low	29.8	Very low	83 Å²	83	151.7 Å²	151.7	69%	0.686	77%	0.77	S	S	*	*			trans	-70	97.7	164.7	0	0	0	0	0	107.7	A3 F7	A3-A5 VanDerWaalsContact C-N 3.34Å; A3-A5 PolarHBondContact O-N 2.88Å; A5-F7 PolarHBondContact O-N 3.3Å
6	R	25.7	Very low	29.9	Very low	215 Å²	215	146.9 Å²	146.9	81%	0.811	77%	0.77	S	S	*	*			trans	-73.2	106.9	168.9	-78.1	-178.5	170.5	179.7	-3.5	107.4	K4 H8	K4-R6 PolarHBondContact O-N 2.69Å; R6-H8 PolarHBondContact O-N 2.89Å
7	F	31.8	Very low	29.7	Very low	185 Å²	185	149.7 Å²	149.7	81%	0.811	78%	0.775	S	S	*	*			trans	-62.1	111.9	169.7	-81.3	-95.8	0	0	0	109.7	A5	A5-F7 PolarHBondContact O-N 3.3Å
8	H	25.8	Very low	30.1	Very low	171 Å²	171	154.7 Å²	154.7	79%	0.792	78%	0.782	S	S	*	*			trans	-100.6	91.2	160.9	-82.8	-72.3	0	0	0	107.3	R6 P10	R6-H8 PolarHBondContact O-N 2.89Å; H8-P10 WeakPolarHBondContact O-CD 3.41Å
9	I	33.8	Very low	29.9	Very low	115 Å²	115	154.8 Å²	154.8	59%	0.59	79%	0.785	S	S	*	*			trans	-83.1	113.2	160.8	-62.1	174.7	0	0	0	105.8	F11	I9-F11 PolarHBondContact O-N 3.1Å
10	P	34.3	Very low	30.2	Very low	92 Å²	92	155.2 Å²	155.2	60%	0.597	79%	0.787	S	S	*	*			trans	-74.8	98.6	177.5	29.2	-30.4	0	0	0	109.2	H8 L12	H8-P10 WeakPolarHBondContact O-CD 3.41Å; P10-L12 PolarHBondContact O-N 3.45Å; P10-L12 VanDerWaalsContact O-N 3.12Å
11	F	30.5	Very low	30.1	Very low	132 Å²	132	157.2 Å²	157.2	58%	0.579	79%	0.794	S	S	*	*			trans	-74.7	91.1	167.3	-130.3	-91.4	0	0	0	108.3	I9 L13 F327	I9-F11 PolarHBondContact O-N 3.1Å; F11-L13 HydrophobicContact CD1-CD1 4.25Å; F11-L13 PolarHBondContact O-N 3.39Å; F11-F327 HydrophobicContact CE2-CB 4.45Å; F11-F327 HydrophobicContact CE2-CD1 4.44Å
12	L	32	Very low	30.4	Very low	146 Å²	146	149.4 Å²	149.4	76%	0.764	77%	0.768	S	S	*	*			trans	-79.9	95.4	167.6	-114.7	101.2	0	0	0	109	P10 L14	P10-L12 PolarHBondContact O-N 3.45Å; P10-L12 VanDerWaalsContact O-N 3.12Å; L12-L14 PolarHBondContact O-N 3.32Å
13	L	28.3	Very low	30.6	Very low	123 Å²	123	146.5 Å²	146.5	64%	0.644	76%	0.764	S	S	*	*			trans	-68.8	100.9	160.3	-100	130.4	0	0	0	108.3	F11 I15	F11-L13 HydrophobicContact CD1-CD1 4.25Å; F11-L13 PolarHBondContact O-N 3.39Å; L13-I15 VanDerWaalsContact C-N 3.25Å; L13-I15 HydrophobicContact CD2-CD1 3.66Å; L13-I15 HydrophobicContact CD2-CG1 3.97Å; L13-I15 PolarHBondContact O-N 2.76Å
14	L	32.6	Very low	31	Very low	162 Å²	162	146.6 Å²	146.6	85%	0.848	77%	0.765	S	S	*	*			trans	-68.2	85.5	163.5	-81.1	160.8	0	0	0	108.9	L12	L12-L14 PolarHBondContact O-N 3.32Å
15	I	29.5	Very low	31.8	Very low	116 Å²	116	141.6 Å²	141.6	60%	0.595	76%	0.76	S	S	*	*			trans	-119.9	69.4	159.2	-49.4	179.7	0	0	0	107.2	L13 K17	L13-I15 VanDerWaalsContact C-N 3.25Å; L13-I15 HydrophobicContact CD2-CD1 3.66Å; L13-I15 HydrophobicContact CD2-CG1 3.97Å; L13-I15 PolarHBondContact O-N 2.76Å; I15-K17 PolarHBondContact O-N 3.27Å
16	G	32	Very low	32.5	Very low	75 Å²	75	145.6 Å²	145.6	77%	0.773	77%	0.769	S	S	*	*			trans	-79.7	97.7	167.9	0	0	0	0	0	109.7	R18	G16-R18 PolarHBondContact O-N 3.4Å
17	K	27	Very low	33.5	Very low	195 Å²	195	139.7 Å²	139.7	85%	0.848	76%	0.761	S	S	*	*			trans	-61.2	110.7	160.9	-79.3	-179.7	173.8	-179	0	108.6	I15	I15-K17 PolarHBondContact O-N 3.27Å
18	R	35.9	Very low	34.5	Very low	240 Å²	240	137.8 Å²	137.8	91%	0.906	76%	0.759	S	S	*	*			trans	-141.7	110.4	151.4	-76.2	-165.3	175.6	-179.8	-1.1	109.4	G16 I20	G16-R18 PolarHBondContact O-N 3.4Å; R18-I20 PolarHBondContact O-N 3.22Å
19	D	27.7	Very low	36.4	Very low	157 Å²	157	136 Å²	136	84%	0.84	75%	0.754	S	S	*	*			trans	-53	128.5	163.6	-59.5	-58	0	0	0	109.5
20	I	35.5	Very low	38.3	Very low	162 Å²	162	132 Å²	132	83%	0.831	74%	0.735	S	S	*	*			trans	-158.2	115.3	138.1	-88.4	139.4	0	0	0	106.2	R18	R18-I20 PolarHBondContact O-N 3.22Å
21	Q	27.8	Very low	40.4	Very low	198 Å²	198	137.3 Å²	137.3	93%	0.925	75%	0.75	S	S	*	*			trans	-75.2	121	174.4	-163.4	121.9	-23.3	0	0	109.2
22	A	36.3	Very low	42.8	Very low	82 Å²	82	132.9 Å²	132.9	68%	0.678	74%	0.735	S	S	*	*			trans	-143.2	143.7	159.4	0	0	0	0	0	109.5
23	P	35.6	Very low	45.1	Very low	134 Å²	134	132.6 Å²	132.6	87%	0.87	73%	0.733	S	S	*	*			trans	-79	155.5	-160	25	-21.6	0	0	0	114
24	A	34.8	Very low	47.2	Very low	100 Å²	100	134.1 Å²	134.1	83%	0.826	74%	0.74	S	S	*	*	S	Bend	trans	-59.7	148.9	-172.5	0	0	0	0	0	115
25	A	41.4	Very low	48.8	Very low	91 Å²	91	133.6 Å²	133.6	75%	0.752	73%	0.734	S	S	*	*	S	Bend	trans	77	75.2	166.8	0	0	0	0	0	116.9
26	L	44.2	Very low	51.1	Low	167 Å²	167	129.2 Å²	129.2	87%	0.874	71%	0.713	S	S	*	*			trans	173.6	19.1	139.5	-92.9	164.6	0	0	0	113.6	N28	L26-N28 PolarHBondContact O-N 3.26Å
27	S	46.5	Very low	53.1	Low	91 Å²	91	128.2 Å²	128.2	64%	0.636	69%	0.687	S	S	*	*			trans	-94	48.2	-167.1	75.9	0	0	0	0	116.2	I29	S27-I29 VanDerWaalsContact C-N 3.31Å
28	N	53.5	Low	55.3	Low	144 Å²	144	121.1 Å²	121.1	77%	0.77	66%	0.661	S	S	*	*			trans	-90.6	5.8	165.6	-83	-3.7	0	0	0	112.9	L26	L26-N28 PolarHBondContact O-N 3.26Å
29	I	66.1	Low	56.8	Low	135 Å²	135	111 Å²	111	69%	0.692	63%	0.626	S	S	*	*			trans	-103.8	111.8	177.5	-55.7	174.9	0	0	0	108.3	S27	S27-I29 VanDerWaalsContact C-N 3.31Å
30	C	73.4	Confident	58.7	Low	29 Å²	29	109.8 Å²	109.8	20%	0.196	62%	0.615	C	S	.	*			trans	-105.5	138.9	166.2	-44.8	0	0	0	0	110.3	C32 C38 G41	C30-C32 WeakPolarHBondContact CB-SG 3.13Å; C30-C32 PolarHBondContact O-N 2.78Å; C30-C38 HydrophobicContact CB-CB 3.45Å; C30-C38 VanDerWaalsContact CB-CB 3.45Å; C30-C38 WeakPolarHBondContact CB-SG 3.4Å; C30-C38 PolarHBondContact N-SG 2.8Å; C30-C38 VanDerWaalsContact N-SG 3.36Å; C30-C38 VanDerWaalsContact SG-CA 3.59Å; C30-C38 WeakPolarHBondContact SG-CB 3.36Å; C30-C38 CovalentContact SG-SG 2.03Å; C30-C38 PolarHBondContact SG-SG 2.86Å; C30-G41 VanDerWaalsContact SG-CA 3.57Å
31	F	79	Confident	60.4	Low	204 Å²	204	103.5 Å²	103.5	90%	0.895	59%	0.59	S	S	*	*			trans	-88.1	78.3	163.8	-67	-85.1	0	0	0	109.1
32	C	79.5	Confident	62.6	Low	40 Å²	40	100.3 Å²	100.3	27%	0.27	58%	0.575	S	S	.	*			trans	-84.7	148	-178.1	-65.1	0	0	0	0	112.8	C30 T36 C43	C30-C32 WeakPolarHBondContact CB-SG 3.13Å; C30-C32 PolarHBondContact O-N 2.78Å; C32-T36 VanDerWaalsContact CB-OG1 3.27Å; C32-T36 WeakPolarHBondContact CB-OG1 3.48Å; C32-C43 WeakPolarHBondContact CA-SG 3.23Å; C32-C43 HydrophobicContact CB-CB 3.82Å; C32-C43 WeakPolarHBondContact CB-SG 3.43Å; C32-C43 WeakPolarHBondContact SG-CA 3.44Å; C32-C43 WeakPolarHBondContact SG-CB 3.24Å; C32-C43 CovalentContact SG-SG 2.04Å; C32-C43 PolarHBondContact SG-SG 3.39Å
33	L	80.4	Confident	64.4	Low	140 Å²	140	99.2 Å²	99.2	73%	0.733	56%	0.562	S	S	*	*			trans	-63.6	157.8	168.1	-63.9	173.8	0	0	0	109.9	E35 T36	L33-E35 PolarHBondContact O-N 2.74Å; L33-E35 VanDerWaalsContact O-N 3.1Å; L33-T36 WeakPolarHBondContact CA-OG1 3.37Å; L33-T36 PolarHBondContact N-OG1 2.98Å; L33-T36 WeakPolarHBondContact O-CA 3.14Å; L33-T36 PolarHBondContact O-N 3.29Å; L33-T36 VanDerWaalsContact O-O 3.11Å; L33-T36 PolarHBondContact O-OG1 3.49Å
34	I	71.7	Confident	66.2	Low	154 Å²	154	96 Å²	96	79%	0.79	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-36.9	-176.9	-65.2	172.3	0	0	0	112.3	T36 K46	I34-T36 PolarHBondContact O-N 3.08Å; I34-K46 WeakPolarHBondContact O-CE 3.46Å; I34-K46 PolarHBondContact O-NZ 2.03Å
35	E	67.4	Low	67.8	Low	152 Å²	152	96 Å²	96	71%	0.71	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	3.3	179.4	-63.3	-177.6	-177.5	0	0	113.9	L33 T45 K46	L33-E35 PolarHBondContact O-N 2.74Å; L33-E35 VanDerWaalsContact O-N 3.1Å; E35-T45 WeakPolarHBondContact O-CA 2.91Å; E35-K46 PolarHBondContact O-N 3.07Å
36	T	76.8	Confident	69.1	Low	24 Å²	24	96.3 Å²	96.3	15%	0.147	51%	0.512	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	151.3	-179.6	51.4	0	0	0	0	111.3	C32 L33 I34 C43 D44 K46	C32-T36 VanDerWaalsContact CB-OG1 3.27Å; C32-T36 WeakPolarHBondContact CB-OG1 3.48Å; L33-T36 WeakPolarHBondContact CA-OG1 3.37Å; L33-T36 PolarHBondContact N-OG1 2.98Å; L33-T36 WeakPolarHBondContact O-CA 3.14Å; L33-T36 PolarHBondContact O-N 3.29Å; L33-T36 VanDerWaalsContact O-O 3.11Å; L33-T36 PolarHBondContact O-OG1 3.49Å; I34-T36 PolarHBondContact O-N 3.08Å; T36-C43 HydrophobicContact CG2-CB 4.41Å; T36-D44 CarbonylContact C-O 3.59Å; T36-D44 WeakPolarHBondContact CA-O 3.47Å; T36-D44 VanDerWaalsContact CB-O 3.26Å; T36-D44 WeakPolarHBondContact CB-O 3.43Å; T36-K46 WeakPolarHBondContact O-CE 3.45Å
37	K	74.9	Confident	70.4	Confident	53 Å²	53	90.8 Å²	90.8	23%	0.23	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	143.9	172.4	57.5	169.5	-176.6	167.4	0	109	T39 C43 D44 K46 D89	K37-T39 HydrophobicContact CD-CG2 3.8Å; K37-T39 HydrophobicContact CG-CG2 3.89Å; K37-T39 PolarHBondContact O-N 2.77Å; K37-C43 WeakPolarHBondContact O-CA 3.19Å; K37-D44 PolarHBondContact N-O 3.13Å; K37-D44 PolarHBondContact O-N 3Å; K37-K46 HydrophobicContact CB-CG 4.11Å; K37-K46 HydrophobicContact CG-CG 4.33Å; K37-D89 IonicContact NZ-OD1 2.8Å; K37-D89 PolarHBondContact NZ-OD1 3.05Å; K37-D89 IonicContact NZ-OD2 3.53Å; K37-D89 PolarHBondContact NZ-OD2 2.96Å; K37-D89 VanDerWaalsContact NZ-OD2 3.1Å
38	C	71.8	Confident	72.2	Confident	46 Å²	46	94.9 Å²	94.9	31%	0.311	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	111.7	171.9	-173.8	0	0	0	0	108.5	C30 H42	C30-C38 HydrophobicContact CB-CB 3.45Å; C30-C38 VanDerWaalsContact CB-CB 3.45Å; C30-C38 WeakPolarHBondContact CB-SG 3.4Å; C30-C38 PolarHBondContact N-SG 2.8Å; C30-C38 VanDerWaalsContact N-SG 3.36Å; C30-C38 VanDerWaalsContact SG-CA 3.59Å; C30-C38 WeakPolarHBondContact SG-CB 3.36Å; C30-C38 CovalentContact SG-SG 2.03Å; C30-C38 PolarHBondContact SG-SG 2.86Å; C38-H42 CarbonylContact C-O 3.48Å; C38-H42 VanDerWaalsContact CA-O 3.27Å; C38-H42 WeakPolarHBondContact CA-O 3.46Å
39	T	68.3	Low	73.9	Confident	27 Å²	27	89.8 Å²	89.8	17%	0.166	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	128.9	165.6	92.9	0	0	0	0	109.6	K37 G41 H42 D44	K37-T39 HydrophobicContact CD-CG2 3.8Å; K37-T39 HydrophobicContact CG-CG2 3.89Å; K37-T39 PolarHBondContact O-N 2.77Å; T39-G41 PolarHBondContact O-N 3.36Å; T39-H42 PolarHBondContact N-O 2Å; T39-H42 PolarHBondContact O-N 2.92Å; T39-D44 WeakPolarHBondContact CB-OD2 3.01Å; T39-D44 PolarHBondContact OG1-OD2 3.43Å
40	H	66.8	Low	75.2	Confident	132 Å²	132	86 Å²	86	61%	0.611	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	33.5	179	-55.1	93.6	0	0	0	115.2
41	G	72.3	Confident	76.1	Confident	30 Å²	30	93.1 Å²	93.1	31%	0.309	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.5	4.3	-178	0	0	0	0	0	115.3	C30 T39	C30-G41 VanDerWaalsContact SG-CA 3.57Å; T39-G41 PolarHBondContact O-N 3.36Å
42	H	74.3	Confident	76.7	Confident	131 Å²	131	84.1 Å²	84.1	61%	0.606	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114	146.6	176.2	-63.2	-66.7	0	0	0	111.8	C38 T39 D44	C38-H42 CarbonylContact C-O 3.48Å; C38-H42 VanDerWaalsContact CA-O 3.27Å; C38-H42 WeakPolarHBondContact CA-O 3.46Å; T39-H42 PolarHBondContact N-O 2Å; T39-H42 PolarHBondContact O-N 2.92Å; H42-D44 PolarHBondContact O-N 2.85Å
43	C	74.4	Confident	77.4	Confident	60 Å²	60	88.5 Å²	88.5	41%	0.405	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	101.8	172.9	-65.5	0	0	0	0	109.8	C32 T36 K37	C32-C43 WeakPolarHBondContact CA-SG 3.23Å; C32-C43 HydrophobicContact CB-CB 3.82Å; C32-C43 WeakPolarHBondContact CB-SG 3.43Å; C32-C43 WeakPolarHBondContact SG-CA 3.44Å; C32-C43 WeakPolarHBondContact SG-CB 3.24Å; C32-C43 CovalentContact SG-SG 2.04Å; C32-C43 PolarHBondContact SG-SG 3.39Å; T36-C43 HydrophobicContact CG2-CB 4.41Å; K37-C43 WeakPolarHBondContact O-CA 3.19Å
44	D	72	Confident	78.2	Confident	66 Å²	66	87.2 Å²	87.2	35%	0.353	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	144.4	178.2	-61.4	-51	0	0	0	110.6	T36 K37 T39 H42 K46	T36-D44 CarbonylContact C-O 3.59Å; T36-D44 WeakPolarHBondContact CA-O 3.47Å; T36-D44 VanDerWaalsContact CB-O 3.26Å; T36-D44 WeakPolarHBondContact CB-O 3.43Å; K37-D44 PolarHBondContact N-O 3.13Å; K37-D44 PolarHBondContact O-N 3Å; T39-D44 WeakPolarHBondContact CB-OD2 3.01Å; T39-D44 PolarHBondContact OG1-OD2 3.43Å; H42-D44 PolarHBondContact O-N 2.85Å; D44-K46 PolarHBondContact O-N 3.06Å
45	T	69.2	Low	79.4	Confident	99 Å²	99	81.3 Å²	81.3	61%	0.607	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.2	130.4	175.3	-43.3	0	0	0	0	110.3	E35 V47	E35-T45 WeakPolarHBondContact O-CA 2.91Å; T45-V47 PolarHBondContact O-N 3.13Å
46	K	68.9	Low	80.8	Confident	99 Å²	99	75.4 Å²	75.4	43%	0.43	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-63.9	118.2	168.3	-72.3	176.6	-179.8	166.2	0	107.3	I34 E35 T36 K37 D44 E48	I34-K46 WeakPolarHBondContact O-CE 3.46Å; I34-K46 PolarHBondContact O-NZ 2.03Å; E35-K46 PolarHBondContact O-N 3.07Å; T36-K46 WeakPolarHBondContact O-CE 3.45Å; K37-K46 HydrophobicContact CB-CG 4.11Å; K37-K46 HydrophobicContact CG-CG 4.33Å; D44-K46 PolarHBondContact O-N 3.06Å; K46-E48 PolarHBondContact O-N 3.1Å
47	V	72	Confident	81.5	Confident	50 Å²	50	79.4 Å²	79.4	30%	0.303	43%	0.427	S	S	.	.			trans	-81.5	103.8	173.8	-170.6	0	0	0	0	107.3	T45 C49 N169	T45-V47 PolarHBondContact O-N 3.13Å; V47-C49 WeakPolarHBondContact CG1-SG 3.48Å; V47-C49 PolarHBondContact O-N 2.95Å; V47-N169 HydrophobicContact CG1-CB 3.84Å; V47-N169 HydrophobicContact CG2-CB 4.39Å
48	E	82.6	Confident	82.3	Confident	177 Å²	177	77.9 Å²	77.9	83%	0.827	43%	0.426	S	S	*	.			trans	-81.1	93.5	171.9	-68.6	-172.8	175.2	0	0	109.4	K46	K46-E48 PolarHBondContact O-N 3.1Å
49	C	90.9	Very high	83.2	Confident	37 Å²	37	77.7 Å²	77.7	25%	0.25	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-92.9	145.7	173.9	-63.1	0	0	0	0	111.1	V47 E51 C170	V47-C49 WeakPolarHBondContact CG1-SG 3.48Å; V47-C49 PolarHBondContact O-N 2.95Å; C49-E51 PolarHBondContact O-N 3.36Å; C49-C170 WeakPolarHBondContact CA-SG 3.49Å; C49-C170 HydrophobicContact CB-CB 3.77Å; C49-C170 WeakPolarHBondContact CB-SG 3.33Å; C49-C170 WeakPolarHBondContact SG-CA 3.38Å; C49-C170 WeakPolarHBondContact SG-CB 3.34Å; C49-C170 CovalentContact SG-SG 2.05Å; C49-C170 PolarHBondContact SG-SG 3.13Å
50	P	92.1	Very high	84	Confident	56 Å²	56	79.8 Å²	79.8	36%	0.364	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-54.7	139.3	170	-24.1	34	0	0	0	111.3	K93 L158	P50-K93 WeakPolarHBondContact O-CE 3.41Å; P50-K93 PolarHBondContact O-NZ 3.14Å; P50-K93 VanDerWaalsContact O-NZ 3.15Å; P50-L158 HydrophobicContact CG-CD2 3.88Å
51	E	91.7	Very high	84.7	Confident	179 Å²	179	78.7 Å²	78.7	84%	0.836	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-57.7	143.5	173.2	-66.5	-166.3	162.3	0	0	110.5	C49	C49-E51 PolarHBondContact O-N 3.36Å
52	A	92.5	Very high	85.2	Confident	15 Å²	15	81.4 Å²	81.4	12%	0.124	47%	0.468	C	S	.	.	P	Polyproline II helix	trans	-70.7	147.1	174.8	0	0	0	0	0	111.3	K54 K93 F177	A52-K54 PolarHBondContact O-N 3.3Å; A52-K93 HydrophobicContact CB-CB 3.99Å; A52-K93 HydrophobicContact CB-CD 3.81Å; A52-K93 HydrophobicContact CB-CG 3.81Å; A52-F177 HydrophobicContact CB-CE2 4.11Å
53	Q	94.6	Very high	85.7	Confident	132 Å²	132	76.5 Å²	76.5	62%	0.617	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-64.5	130.1	161.1	-177.1	176.6	-4.1	0	0	109.2	F55	Q53-F55 HydrophobicContact CB-CE2 3.81Å; Q53-F55 HydrophobicContact CB-CZ 4.19Å; Q53-F55 HydrophobicContact CG-CD2 4.29Å; Q53-F55 HydrophobicContact CG-CE1 4.38Å; Q53-F55 HydrophobicContact CG-CE2 3.59Å; Q53-F55 HydrophobicContact CG-CZ 3.64Å; Q53-F55 WeakPolarHBondContact O-CD2 3.31Å
54	K	97.2	Very high	86	Confident	112 Å²	112	79.6 Å²	79.6	49%	0.487	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-93.2	131.2	177.9	-68.6	174.9	-178.8	174.9	0	110.4	A52 L96 W98	A52-K54 PolarHBondContact O-N 3.3Å; K54-L96 WeakPolarHBondContact CA-O 3.14Å; K54-W98 HydrophobicContact CB-CD2 4.41Å; K54-W98 HydrophobicContact CB-CZ2 3.87Å; K54-W98 HydrophobicContact CD-CD2 4.01Å; K54-W98 HydrophobicContact CD-CE3 3.83Å; K54-W98 HydrophobicContact CD-CH2 3.87Å; K54-W98 HydrophobicContact CD-CZ2 4.03Å; K54-W98 HydrophobicContact CD-CZ3 3.77Å; K54-W98 HydrophobicContact CG-CD2 4.22Å; K54-W98 HydrophobicContact CG-CZ2 4.37Å
55	F	97.4	Very high	86.7	Confident	31 Å²	31	79.1 Å²	79.1	14%	0.136	47%	0.467	C	S	.	.			trans	-114.5	143.2	175.3	-58.7	-101	0	0	0	110.8	Q53 L96 W98 F177 P184 Y196	Q53-F55 HydrophobicContact CB-CE2 3.81Å; Q53-F55 HydrophobicContact CB-CZ 4.19Å; Q53-F55 HydrophobicContact CG-CD2 4.29Å; Q53-F55 HydrophobicContact CG-CE1 4.38Å; Q53-F55 HydrophobicContact CG-CE2 3.59Å; Q53-F55 HydrophobicContact CG-CZ 3.64Å; Q53-F55 WeakPolarHBondContact O-CD2 3.31Å; F55-L96 HydrophobicContact CB-CB 4.11Å; F55-L96 HydrophobicContact CB-CD1 4.41Å; F55-L96 PolarHBondContact N-O 3.43Å; F55-L96 VanDerWaalsContact N-O 3.08Å; F55-W98 PolarHBondContact O-NE1 2.94Å; F55-F177 HydrophobicContact CD2-CE1 4.16Å; F55-F177 AromaticContact CD2-CZ 3.96Å; F55-F177 HydrophobicContact CD2-CZ 3.96Å; F55-F177 HydrophobicContact CE2-CE1 4.13Å; F55-F177 AromaticContact CE2-CZ 3.88Å; F55-F177 HydrophobicContact CE2-CZ 3.88Å; F55-P184 HydrophobicContact CB-CB 4.23Å; F55-P184 HydrophobicContact CD1-CB 3.85Å; F55-P184 HydrophobicContact CD1-CG 3.71Å; F55-P184 HydrophobicContact CD2-CB 3.77Å; F55-P184 HydrophobicContact CD2-CG 3.86Å; F55-P184 HydrophobicContact CE1-CB 4.12Å; F55-P184 HydrophobicContact CE1-CG 3.44Å; F55-P184 VanDerWaalsContact CE1-CG 3.44Å; F55-P184 HydrophobicContact CE2-CB 4.06Å; F55-P184 HydrophobicContact CE2-CG 3.61Å; F55-P184 HydrophobicContact CG-CB 3.67Å; F55-P184 HydrophobicContact CG-CG 3.92Å; F55-P184 HydrophobicContact CZ-CB 4.22Å; F55-P184 HydrophobicContact CZ-CG 3.39Å; F55-Y196 HydrophobicContact CB-CD1 3.95Å; F55-Y196 HydrophobicContact CB-CE1 3.82Å; F55-Y196 AromaticContact CD1-CE1 3.95Å; F55-Y196 HydrophobicContact CD1-CE1 3.95Å; F55-Y196 HydrophobicContact CG-CE1 4.32Å
56	G	95.4	Very high	87.9	Confident	28 Å²	28	79.3 Å²	79.3	29%	0.289	46%	0.46	S	S	.	.	S	Bend	trans	71	-174.1	-178.2	0	0	0	0	0	114.9	G58 W98	G56-G58 VanDerWaalsContact C-N 3.26Å; G56-G58 PolarHBondContact O-N 2.81Å; G56-W98 WeakPolarHBondContact O-CZ2 3.48Å
57	P	92.7	Very high	89.2	Confident	107 Å²	107	75.3 Å²	75.3	70%	0.695	44%	0.444	S	S	*	.	S	Bend	trans	-76.5	-10.1	-177.4	31.6	-35.7	0	0	0	114
58	G	92.3	Very high	90.5	Very high	21 Å²	21	79.3 Å²	79.3	22%	0.216	46%	0.457	C	S	.	.			trans	77.4	-175.4	-170.8	0	0	0	0	0	113.3	G56	G56-G58 VanDerWaalsContact C-N 3.26Å; G56-G58 PolarHBondContact O-N 2.81Å
59	P	90.5	Very high	91.2	Very high	42 Å²	42	71.6 Å²	71.6	27%	0.273	42%	0.422	S	S	.	.	S	Bend	trans	-62.5	140.2	-179.2	24.4	-32.5	0	0	0	111.9	A61 N101 C103	P59-A61 PolarHBondContact O-N 2.89Å; P59-N101 HydrophobicContact CB-CB 4.41Å; P59-N101 HydrophobicContact CG-CB 4.24Å; P59-C103 HydrophobicContact CB-CB 4.06Å
60	S	84.2	Confident	91.5	Very high	71 Å²	71	73 Å²	73	50%	0.497	43%	0.43	S	S	.	.			trans	-61.4	133.6	177	175.2	0	0	0	0	111.9	S62 C63	S60-S62 PolarHBondContact O-N 2.63Å; S60-S62 PolarHBondContact OG-N 3.23Å; S60-S62 PolarHBondContact OG-OG 2.85Å; S60-C63 PolarHBondContact O-N 3.24Å
61	A	82	Confident	91.8	Very high	110 Å²	110	73 Å²	73	91%	0.909	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-29.2	175.8	0	0	0	0	0	113.4	P59	P59-A61 PolarHBondContact O-N 2.89Å
62	S	82.8	Confident	92.1	Very high	87 Å²	87	71.1 Å²	71.1	61%	0.608	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-12.1	-179.6	61.6	0	0	0	0	114.1	S60 T64	S60-S62 PolarHBondContact O-N 2.63Å; S60-S62 PolarHBondContact OG-N 3.23Å; S60-S62 PolarHBondContact OG-OG 2.85Å; S62-T64 PolarHBondContact O-N 3.3Å
63	C	84.4	Confident	92.3	Very high	28 Å²	28	73.9 Å²	73.9	19%	0.189	43%	0.43	C	S	.	.			trans	32	69	174	-163.5	0	0	0	0	115.5	S60 C103	S60-C63 PolarHBondContact O-N 3.24Å; C63-C103 HydrophobicContact CB-CB 3.96Å; C63-C103 WeakPolarHBondContact CB-SG 3.46Å; C63-C103 WeakPolarHBondContact SG-CB 3.15Å; C63-C103 CovalentContact SG-SG 2.01Å; C63-C103 PolarHBondContact SG-SG 3.18Å
64	T	81.2	Confident	92.5	Very high	125 Å²	125	72.6 Å²	72.6	77%	0.767	43%	0.433	S	S	*	.			trans	-78.2	-21.7	-172.4	50.7	0	0	0	0	113.9	S62	S62-T64 PolarHBondContact O-N 3.3Å
65	S	85.2	Confident	92.4	Very high	55 Å²	55	74.8 Å²	74.8	39%	0.385	44%	0.443	S	S	.	.			trans	-128.6	62	-167.2	54.1	0	0	0	0	113.4	T277	S65-T277 WeakPolarHBondContact O-CB 3.37Å; S65-T277 WeakPolarHBondContact O-CG2 3.49Å; S65-T277 PolarHBondContact O-OG1 3.3Å
66	K	95.1	Very high	92.3	Very high	103 Å²	103	73.9 Å²	73.9	45%	0.448	44%	0.441	S	S	.	.			trans	-62.4	154	172.3	-67.1	-173.7	171.4	-142.3	0	112.7	E102	K66-E102 WeakPolarHBondContact CD-OE2 2.96Å; K66-E102 WeakPolarHBondContact CE-OE2 3.24Å; K66-E102 HydrophobicContact CG-CB 4.32Å; K66-E102 IonicContact NZ-OE2 2.63Å; K66-E102 PolarHBondContact NZ-OE2 2.96Å
67	P	97.4	Very high	92.1	Very high	16 Å²	16	76.9 Å²	76.9	10%	0.104	45%	0.446	C	S	.	.			trans	-66.8	136.8	-178.1	-18.6	35.5	0	0	0	111.2	E102 E109 S110 I113 T277	P67-E102 VanDerWaalsContact CD-O 3.25Å; P67-E102 WeakPolarHBondContact CD-O 3.27Å; P67-E109 HydrophobicContact CB-CB 4.31Å; P67-E109 HydrophobicContact CG-CB 4.09Å; P67-S110 VanDerWaalsContact CG-OG 3.25Å; P67-S110 WeakPolarHBondContact CG-OG 3.27Å; P67-I113 HydrophobicContact CB-CD1 3.96Å; P67-T277 CarbonylContact C-O 3.56Å; P67-T277 VanDerWaalsContact CA-O 3.26Å; P67-T277 WeakPolarHBondContact CA-O 3.42Å
68	K	97.7	Very high	92.1	Very high	133 Å²	133	71.8 Å²	71.8	58%	0.578	41%	0.413	S	S	*	.			trans	-138	152.4	-179.7	-65.8	178.6	-172.2	173.4	0	111.1	P70 T277 D278 P279	K68-P70 WeakPolarHBondContact O-CD 3.45Å; K68-T277 PolarHBondContact N-O 3.19Å; K68-D278 HydrophobicContact CB-CB 4.09Å; K68-D278 WeakPolarHBondContact O-CA 3.44Å; K68-P279 WeakPolarHBondContact O-CA 3.37Å
69	D	98	Very high	92.2	Very high	16 Å²	16	72.4 Å²	72.4	9%	0.086	41%	0.41	C	S	.	.			trans	-105.1	95.2	169.9	-173	-1.4	0	0	0	109.7	N71 N72 R73 I113 R116 Y117	D69-N71 PolarHBondContact O-N 2.85Å; D69-N71 PolarHBondContact OD1-N 3.1Å; D69-N72 PolarHBondContact O-N 2.62Å; D69-N72 PolarHBondContact OD1-N 3.49Å; D69-R73 WeakPolarHBondContact OD2-CB 3.34Å; D69-R73 PolarHBondContact OD2-N 3.09Å; D69-I113 HydrophobicContact CB-CG2 3.84Å; D69-R116 IonicContact OD2-NH1 3.58Å; D69-Y117 WeakPolarHBondContact OD1-CE2 3.47Å; D69-Y117 PolarHBondContact OD1-OH 2.88Å
70	P	97.6	Very high	92.4	Very high	66 Å²	66	74.2 Å²	74.2	43%	0.429	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-23.2	-177.6	29	-37.2	0	0	0	112.8	K68 D278	K68-P70 WeakPolarHBondContact O-CD 3.45Å; P70-D278 WeakPolarHBondContact CG-O 3.29Å
71	N	97.9	Very high	92.8	Very high	55 Å²	55	73.5 Å²	73.5	29%	0.294	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	0.8	-177.3	-64.3	-50.3	0	0	0	113	D69 R73 Y117 S261	D69-N71 PolarHBondContact O-N 2.85Å; D69-N71 PolarHBondContact OD1-N 3.1Å; N71-R73 VanDerWaalsContact C-N 3.26Å; N71-R73 HydrophobicContact CB-CG 4.32Å; N71-R73 PolarHBondContact O-N 3.35Å; N71-Y117 WeakPolarHBondContact CB-OH 3.29Å; N71-Y117 PolarHBondContact ND2-OH 3.46Å; N71-Y117 VanDerWaalsContact ND2-OH 3.13Å; N71-S261 PolarHBondContact ND2-O 3.02Å; N71-S261 PolarHBondContact OD1-O 3.45Å
72	N	97.5	Very high	93.4	Very high	141 Å²	141	68.3 Å²	68.3	75%	0.754	37%	0.367	S	S	*	.			trans	46	49.1	-179.5	-60.4	-69.3	0	0	0	112.7	D69	D69-N72 PolarHBondContact O-N 2.62Å; D69-N72 PolarHBondContact OD1-N 3.49Å
73	R	98	Very high	94.1	Very high	72 Å²	72	66.7 Å²	66.7	27%	0.272	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-59.8	147	-179.9	-65.6	-67.4	-173.2	166.5	-0.1	110.1	D69 N71 R116 Y117 N260	D69-R73 WeakPolarHBondContact OD2-CB 3.34Å; D69-R73 PolarHBondContact OD2-N 3.09Å; N71-R73 VanDerWaalsContact C-N 3.26Å; N71-R73 HydrophobicContact CB-CG 4.32Å; N71-R73 PolarHBondContact O-N 3.35Å; R73-R116 HydrophobicContact CB-CB 3.69Å; R73-Y117 HydrophobicContact CB-CE2 4.49Å; R73-Y117 HydrophobicContact CG-CD1 4.21Å; R73-Y117 HydrophobicContact CG-CD2 4.04Å; R73-Y117 HydrophobicContact CG-CE1 3.95Å; R73-Y117 HydrophobicContact CG-CE2 3.72Å; R73-Y117 HydrophobicContact CG-CG 4.25Å; R73-N260 VanDerWaalsContact NH2-C 3.35Å; R73-N260 PolarHBondContact NH2-O 3.17Å
74	P	97.5	Very high	94.7	Very high	106 Å²	106	69.2 Å²	69.2	69%	0.688	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-54.9	147.2	173.4	-25	34.6	0	0	0	111.6	S76 R116	P74-S76 PolarHBondContact O-N 2.98Å; P74-R116 WeakPolarHBondContact O-CB 3.48Å; P74-R116 VanDerWaalsContact O-CG 3.3Å; P74-R116 WeakPolarHBondContact O-CG 3.29Å
75	K	96.5	Very high	95.4	Very high	157 Å²	157	69.7 Å²	69.7	68%	0.683	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-60.9	138.5	176.4	-67.1	-170.7	174.6	-177.3	0	110.9	E79	K75-E79 WeakPolarHBondContact CA-OE1 3.34Å; K75-E79 VanDerWaalsContact CB-OE1 3.32Å; K75-E79 WeakPolarHBondContact CB-OE1 3.17Å; K75-E79 WeakPolarHBondContact CD-OE2 3.44Å; K75-E79 WeakPolarHBondContact CG-OE2 3.24Å
76	S	94.3	Very high	95.9	Very high	13 Å²	13	69.1 Å²	69.1	9%	0.091	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-76.8	164.6	175.1	68.4	0	0	0	0	111.1	P74 L78 E79	P74-S76 PolarHBondContact O-N 2.98Å; S76-L78 PolarHBondContact O-N 2.82Å; S76-E79 PolarHBondContact N-OE1 3.28Å; S76-E79 VanDerWaalsContact N-OE1 3.09Å; S76-E79 PolarHBondContact O-N 3.34Å
77	K	91.1	Very high	96	Very high	91 Å²	91	64.2 Å²	64.2	40%	0.396	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-61.4	-30.3	174.7	-176.6	55.2	177.8	167.3	0	112.5	E79 S80 T123 Y136	K77-E79 PolarHBondContact O-N 2.76Å; K77-S80 PolarHBondContact NZ-OG 2.97Å; K77-S80 PolarHBondContact O-N 3Å; K77-S80 VanDerWaalsContact O-N 3.08Å; K77-S80 PolarHBondContact O-OG 2.7Å; K77-T123 HydrophobicContact CB-CG2 4Å; K77-Y136 WeakPolarHBondContact CE-OH 3.37Å; K77-Y136 HydrophobicContact CG-CD1 4.46Å; K77-Y136 HydrophobicContact CG-CE1 4.06Å; K77-Y136 HydrophobicContact CG-CE2 4.25Å
78	L	93.1	Very high	96	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-56.3	-38.7	178	-70.1	174.9	0	0	0	112.1	S76 S80 W81 F82 F111 A115 F121 L140	S76-L78 PolarHBondContact O-N 2.82Å; L78-S80 PolarHBondContact O-N 3.19Å; L78-W81 HydrophobicContact CD2-CZ2 3.73Å; L78-W81 PolarHBondContact O-N 2.83Å; L78-F82 WeakPolarHBondContact O-CB 3.25Å; L78-F82 PolarHBondContact O-N 3.37Å; L78-F111 HydrophobicContact CD1-CE1 4.15Å; L78-F111 HydrophobicContact CD1-CZ 4.39Å; L78-A115 HydrophobicContact CD1-CB 3.97Å; L78-F121 HydrophobicContact CD1-CD1 3.62Å; L78-F121 HydrophobicContact CD1-CE1 3.66Å; L78-L140 HydrophobicContact CD1-CD1 4.47Å; L78-L140 HydrophobicContact CD2-CD1 4.44Å; L78-L140 HydrophobicContact CD2-CD2 4.23Å
79	E	94.6	Very high	95.8	Very high	34 Å²	34	62.6 Å²	62.6	16%	0.159	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-64.5	-12.2	-179.7	-69	177.2	-106.7	0	0	113.8	K75 S76 K77 I112 R116	K75-E79 WeakPolarHBondContact CA-OE1 3.34Å; K75-E79 VanDerWaalsContact CB-OE1 3.32Å; K75-E79 WeakPolarHBondContact CB-OE1 3.17Å; K75-E79 WeakPolarHBondContact CD-OE2 3.44Å; K75-E79 WeakPolarHBondContact CG-OE2 3.24Å; S76-E79 PolarHBondContact N-OE1 3.28Å; S76-E79 VanDerWaalsContact N-OE1 3.09Å; S76-E79 PolarHBondContact O-N 3.34Å; K77-E79 PolarHBondContact O-N 2.76Å; E79-I112 HydrophobicContact CG-CB 3.85Å; E79-I112 HydrophobicContact CG-CD1 4.23Å; E79-I112 HydrophobicContact CG-CG2 3.96Å; E79-R116 WeakPolarHBondContact OE1-CG 3.49Å; E79-R116 IonicContact OE1-CZ 3.82Å; E79-R116 IonicContact OE1-NE 3.7Å; E79-R116 PolarHBondContact OE1-NE 2.95Å; E79-R116 IonicContact OE1-NH2 3.02Å; E79-R116 IonicContact OE2-CZ 2.69Å; E79-R116 IonicContact OE2-NE 3.09Å; E79-R116 IonicContact OE2-NH2 3.24Å; E79-R116 PolarHBondContact OE2-NH2 2.99Å
80	S	93.6	Very high	95.6	Very high	79 Å²	79	63.9 Å²	63.9	55%	0.552	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-83.7	-13.4	178	81.5	0	0	0	0	114.1	K77 L78	K77-S80 PolarHBondContact NZ-OG 2.97Å; K77-S80 PolarHBondContact O-N 3Å; K77-S80 VanDerWaalsContact O-N 3.08Å; K77-S80 PolarHBondContact O-OG 2.7Å; L78-S80 PolarHBondContact O-N 3.19Å
81	W	93.4	Very high	95.6	Very high	56 Å²	56	60.9 Å²	60.9	21%	0.212	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-147.1	-31.7	-172.8	70.3	-87.9	0	0	0	114.2	L78 T83 M86 K137 L140	L78-W81 HydrophobicContact CD2-CZ2 3.73Å; L78-W81 PolarHBondContact O-N 2.83Å; W81-T83 PolarHBondContact O-N 3.45Å; W81-M86 HydrophobicContact CE3-CE 4.1Å; W81-M86 HydrophobicContact CZ3-CE 3.8Å; W81-K137 HydrophobicContact CH2-CG 3.81Å; W81-K137 HydrophobicContact CZ2-CG 4.49Å; W81-K137 HydrophobicContact CZ3-CG 4.03Å; W81-L140 HydrophobicContact CH2-CD2 3.64Å; W81-L140 HydrophobicContact CZ2-CD2 4.01Å
82	F	95.4	Very high	95.5	Very high	2 Å²	2	61.1 Å²	61.1	1%	0.009	31%	0.313	C	S	.	.			trans	-85.7	111.3	179	-174.7	-114.8	0	0	0	109.5	L78 M86 F87 L90 Y108 F111 L140 F144	L78-F82 WeakPolarHBondContact O-CB 3.25Å; L78-F82 PolarHBondContact O-N 3.37Å; F82-M86 HydrophobicContact CD2-CB 4.04Å; F82-M86 HydrophobicContact CD2-CE 3.92Å; F82-M86 HydrophobicContact CD2-SD 4.21Å; F82-M86 HydrophobicContact CE2-CB 3.84Å; F82-M86 HydrophobicContact CE2-CE 4.42Å; F82-F87 HydrophobicContact CE1-CB 4Å; F82-F87 AromaticContact CE1-CD2 3.8Å; F82-F87 HydrophobicContact CE1-CD2 3.8Å; F82-F87 HydrophobicContact CE1-CG 4.4Å; F82-F87 HydrophobicContact CZ-CB 3.84Å; F82-F87 AromaticContact CZ-CD2 3.86Å; F82-F87 HydrophobicContact CZ-CD2 3.86Å; F82-F87 HydrophobicContact CZ-CG 4.36Å; F82-L90 HydrophobicContact CE2-CD1 3.89Å; F82-L90 HydrophobicContact CZ-CD1 4.22Å; F82-Y108 HydrophobicContact CD1-CE2 4.28Å; F82-Y108 WeakPolarHBondContact O-CE2 3.35Å; F82-Y108 PolarHBondContact O-OH 3.1Å; F82-F111 HydrophobicContact CD1-CD1 4.19Å; F82-F111 AromaticContact CD1-CE1 3.97Å; F82-F111 HydrophobicContact CD1-CE1 3.97Å; F82-F111 AromaticContact CE1-CD1 3.82Å; F82-F111 HydrophobicContact CE1-CD1 3.82Å; F82-F111 AromaticContact CE1-CE1 3.74Å; F82-F111 HydrophobicContact CE1-CE1 3.74Å; F82-L140 HydrophobicContact CD1-CD2 4.29Å; F82-L140 HydrophobicContact CD2-CD2 3.62Å; F82-L140 HydrophobicContact CE1-CD2 4.43Å; F82-L140 HydrophobicContact CE2-CD2 3.81Å; F82-L140 HydrophobicContact CG-CD2 3.89Å; F82-L140 HydrophobicContact CZ-CD2 4.21Å; F82-F144 HydrophobicContact CE1-CZ 4.08Å; F82-F144 HydrophobicContact CE2-CE2 4.12Å; F82-F144 HydrophobicContact CE2-CZ 4.46Å; F82-F144 AromaticContact CZ-CE2 3.76Å; F82-F144 HydrophobicContact CZ-CE2 3.76Å; F82-F144 AromaticContact CZ-CZ 3.69Å; F82-F144 HydrophobicContact CZ-CZ 3.69Å
83	T	96.6	Very high	95.5	Very high	53 Å²	53	54.8 Å²	54.8	33%	0.325	28%	0.279	S	S	.	.			trans	-100.4	164.3	-170.4	71.6	0	0	0	0	112.8	W81 E85 M86 F87 Y108	W81-T83 PolarHBondContact O-N 3.45Å; T83-E85 PolarHBondContact O-N 3.48Å; T83-E85 PolarHBondContact OG1-N 3.34Å; T83-M86 HydrophobicContact CG2-SD 4.39Å; T83-M86 WeakPolarHBondContact O-CB 3.24Å; T83-M86 PolarHBondContact O-N 3.25Å; T83-M86 VanDerWaalsContact O-N 3.16Å; T83-M86 WeakPolarHBondContact OG1-CG 3.48Å; T83-M86 PolarHBondContact OG1-N 3.18Å; T83-F87 PolarHBondContact O-N 3.16Å; T83-Y108 VanDerWaalsContact C-CE2 3.41Å
84	K	97.5	Very high	95.5	Very high	81 Å²	81	51.4 Å²	51.4	35%	0.352	27%	0.266	S	S	.	.	H	α-helix	trans	-57.2	-37.5	171.2	-174.2	166.9	-171.7	162.1	0	112.4	F87 N88 E102 Y108 E109	K84-F87 PolarHBondContact O-N 2.99Å; K84-N88 WeakPolarHBondContact O-CB 3.43Å; K84-N88 PolarHBondContact O-N 3.47Å; K84-N88 PolarHBondContact O-OD1 3.01Å; K84-E102 IonicContact NZ-OE1 3.59Å; K84-E102 PolarHBondContact NZ-OE1 3.09Å; K84-Y108 HydrophobicContact CB-CD1 3.6Å; K84-Y108 HydrophobicContact CB-CD2 4.23Å; K84-Y108 HydrophobicContact CB-CE1 4.01Å; K84-Y108 HydrophobicContact CB-CG 3.71Å; K84-Y108 HydrophobicContact CD-CD1 4.22Å; K84-Y108 HydrophobicContact CG-CD1 4Å; K84-Y108 HydrophobicContact CG-CG 3.99Å; K84-E109 WeakPolarHBondContact CD-OE1 3.44Å; K84-E109 VanDerWaalsContact CE-OE1 3.31Å; K84-E109 WeakPolarHBondContact CE-OE1 3.45Å; K84-E109 IonicContact NZ-OE1 2.76Å; K84-E109 PolarHBondContact NZ-OE1 2.85Å; K84-E109 IonicContact NZ-OE2 3.63Å; K84-E109 PolarHBondContact NZ-OE2 3.37Å
85	E	96	Very high	95.5	Very high	134 Å²	134	46.4 Å²	46.4	63%	0.626	23%	0.234	S	C	*	.	H	α-helix	trans	-62.4	-45.4	176.2	-175.2	-177	171.7	0	0	111.3	T83 N88 D89	T83-E85 PolarHBondContact O-N 3.48Å; T83-E85 PolarHBondContact OG1-N 3.34Å; E85-N88 PolarHBondContact O-N 3.42Å; E85-D89 WeakPolarHBondContact O-CB 3.22Å; E85-D89 PolarHBondContact O-N 2.96Å
86	M	95.4	Very high	95.6	Very high	43 Å²	43	39 Å²	39	21%	0.212	20%	0.202	C	C	.	.	H	α-helix	trans	-62.2	-46.2	176.7	-66.1	170.3	73.4	0	0	111.6	W81 F82 T83 N88 D89 L90	W81-M86 HydrophobicContact CE3-CE 4.1Å; W81-M86 HydrophobicContact CZ3-CE 3.8Å; F82-M86 HydrophobicContact CD2-CB 4.04Å; F82-M86 HydrophobicContact CD2-CE 3.92Å; F82-M86 HydrophobicContact CD2-SD 4.21Å; F82-M86 HydrophobicContact CE2-CB 3.84Å; F82-M86 HydrophobicContact CE2-CE 4.42Å; T83-M86 HydrophobicContact CG2-SD 4.39Å; T83-M86 WeakPolarHBondContact O-CB 3.24Å; T83-M86 PolarHBondContact O-N 3.25Å; T83-M86 VanDerWaalsContact O-N 3.16Å; T83-M86 WeakPolarHBondContact OG1-CG 3.48Å; T83-M86 PolarHBondContact OG1-N 3.18Å; M86-N88 VanDerWaalsContact C-N 3.33Å; M86-N88 PolarHBondContact O-N 3Å; M86-D89 PolarHBondContact O-N 2.72Å; M86-L90 WeakPolarHBondContact O-CB 3.43Å; M86-L90 VanDerWaalsContact O-CG 3.25Å; M86-L90 WeakPolarHBondContact O-CG 3.15Å; M86-L90 PolarHBondContact O-N 2.93Å
87	F	97.5	Very high	95.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-60	-44.3	177.1	-172.9	-89.2	0	0	0	111.7	F82 T83 K84 D89 L90 F91 P100 Y108 F111 F176	F82-F87 HydrophobicContact CE1-CB 4Å; F82-F87 AromaticContact CE1-CD2 3.8Å; F82-F87 HydrophobicContact CE1-CD2 3.8Å; F82-F87 HydrophobicContact CE1-CG 4.4Å; F82-F87 HydrophobicContact CZ-CB 3.84Å; F82-F87 AromaticContact CZ-CD2 3.86Å; F82-F87 HydrophobicContact CZ-CD2 3.86Å; F82-F87 HydrophobicContact CZ-CG 4.36Å; T83-F87 PolarHBondContact O-N 3.16Å; K84-F87 PolarHBondContact O-N 2.99Å; F87-D89 PolarHBondContact O-N 2.66Å; F87-L90 PolarHBondContact O-N 3.12Å; F87-F91 HydrophobicContact CD1-CD2 4.32Å; F87-F91 AromaticContact CD2-CD2 3.81Å; F87-F91 HydrophobicContact CD2-CD2 3.81Å; F87-F91 AromaticContact CD2-CE2 3.97Å; F87-F91 HydrophobicContact CD2-CE2 3.97Å; F87-F91 HydrophobicContact CE1-CD2 4.21Å; F87-F91 AromaticContact CE2-CD2 3.7Å; F87-F91 HydrophobicContact CE2-CD2 3.7Å; F87-F91 AromaticContact CE2-CE2 3.94Å; F87-F91 HydrophobicContact CE2-CE2 3.94Å; F87-F91 HydrophobicContact CG-CD2 4.13Å; F87-F91 AromaticContact CZ-CD2 3.91Å; F87-F91 HydrophobicContact CZ-CD2 3.91Å; F87-F91 WeakPolarHBondContact O-CD2 3.22Å; F87-F91 PolarHBondContact O-N 3.03Å; F87-P100 HydrophobicContact CD1-CB 4.03Å; F87-P100 HydrophobicContact CE1-CB 3.75Å; F87-Y108 HydrophobicContact CB-CD2 3.94Å; F87-Y108 HydrophobicContact CB-CG 4.49Å; F87-Y108 HydrophobicContact CG-CD2 4.46Å; F87-F111 HydrophobicContact CD2-CB 4.41Å; F87-F111 HydrophobicContact CD2-CD1 4.49Å; F87-F111 HydrophobicContact CD2-CG 4.38Å; F87-F111 HydrophobicContact CE2-CB 3.92Å; F87-F111 HydrophobicContact CE2-CD2 4.3Å; F87-F111 AromaticContact CE2-CG 3.99Å; F87-F111 HydrophobicContact CE2-CG 3.99Å; F87-F111 HydrophobicContact CZ-CB 4.46Å; F87-F176 HydrophobicContact CE2-CE2 4.39Å
88	N	96.2	Very high	96.1	Very high	58 Å²	58	39 Å²	39	31%	0.31	20%	0.199	S	C	.	.	H	α-helix	trans	-69.5	-31.5	-179.7	-70.3	7.2	0	0	0	113.1	K84 E85 M86 P100	K84-N88 WeakPolarHBondContact O-CB 3.43Å; K84-N88 PolarHBondContact O-N 3.47Å; K84-N88 PolarHBondContact O-OD1 3.01Å; E85-N88 PolarHBondContact O-N 3.42Å; M86-N88 VanDerWaalsContact C-N 3.33Å; M86-N88 PolarHBondContact O-N 3Å; N88-P100 HydrophobicContact CB-CG 4.08Å; N88-P100 WeakPolarHBondContact OD1-CG 3.32Å
89	D	93.3	Very high	96.2	Very high	58 Å²	58	39.3 Å²	39.3	31%	0.31	20%	0.202	S	C	.	.	H	α-helix	trans	-72.6	-34.4	173.3	-173.5	67	0	0	0	112.9	K37 E85 M86 F87 P92 R173	K37-D89 IonicContact NZ-OD1 2.8Å; K37-D89 PolarHBondContact NZ-OD1 3.05Å; K37-D89 IonicContact NZ-OD2 3.53Å; K37-D89 PolarHBondContact NZ-OD2 2.96Å; K37-D89 VanDerWaalsContact NZ-OD2 3.1Å; E85-D89 WeakPolarHBondContact O-CB 3.22Å; E85-D89 PolarHBondContact O-N 2.96Å; M86-D89 PolarHBondContact O-N 2.72Å; F87-D89 PolarHBondContact O-N 2.66Å; D89-P92 WeakPolarHBondContact O-CD 3.46Å; D89-R173 PolarHBondContact O-NE 2.93Å; D89-R173 VanDerWaalsContact O-NE 3.09Å; D89-R173 IonicContact OD1-NH2 3.87Å; D89-R173 IonicContact OD2-NH2 3.31Å; D89-R173 PolarHBondContact OD2-NH2 2.74Å
90	L	95.3	Very high	96.4	Very high	42 Å²	42	39.1 Å²	39.1	22%	0.22	20%	0.204	C	C	.	.	H	α-helix	trans	-74.3	-34.6	177.8	-72.8	173.6	0	0	0	112.1	F82 M86 F87 F144 Y172 R173	F82-L90 HydrophobicContact CE2-CD1 3.89Å; F82-L90 HydrophobicContact CZ-CD1 4.22Å; M86-L90 WeakPolarHBondContact O-CB 3.43Å; M86-L90 VanDerWaalsContact O-CG 3.25Å; M86-L90 WeakPolarHBondContact O-CG 3.15Å; M86-L90 PolarHBondContact O-N 2.93Å; F87-L90 PolarHBondContact O-N 3.12Å; L90-F144 HydrophobicContact CD1-CD2 4.21Å; L90-F144 HydrophobicContact CD1-CE2 3.9Å; L90-Y172 HydrophobicContact CD2-CD2 4.47Å; L90-Y172 HydrophobicContact CD2-CE2 3.85Å; L90-R173 VanDerWaalsContact O-CA 3.3Å; L90-R173 WeakPolarHBondContact O-CA 3.34Å
91	F	97	Very high	96.5	Very high	3 Å²	3	38 Å²	38	1%	0.013	19%	0.192	C	C	.	.			trans	-129.8	51.6	-172.5	-48.9	-62.2	0	0	0	113.9	F87 K93 A94 P100 F144 F176	F87-F91 HydrophobicContact CD1-CD2 4.32Å; F87-F91 AromaticContact CD2-CD2 3.81Å; F87-F91 HydrophobicContact CD2-CD2 3.81Å; F87-F91 AromaticContact CD2-CE2 3.97Å; F87-F91 HydrophobicContact CD2-CE2 3.97Å; F87-F91 HydrophobicContact CE1-CD2 4.21Å; F87-F91 AromaticContact CE2-CD2 3.7Å; F87-F91 HydrophobicContact CE2-CD2 3.7Å; F87-F91 AromaticContact CE2-CE2 3.94Å; F87-F91 HydrophobicContact CE2-CE2 3.94Å; F87-F91 HydrophobicContact CG-CD2 4.13Å; F87-F91 AromaticContact CZ-CD2 3.91Å; F87-F91 HydrophobicContact CZ-CD2 3.91Å; F87-F91 WeakPolarHBondContact O-CD2 3.22Å; F87-F91 PolarHBondContact O-N 3.03Å; F91-K93 PolarHBondContact O-N 2.7Å; F91-K93 VanDerWaalsContact O-N 3.09Å; F91-A94 HydrophobicContact CB-CB 4.17Å; F91-A94 WeakPolarHBondContact O-CB 3.15Å; F91-A94 PolarHBondContact O-N 2.91Å; F91-A94 VanDerWaalsContact O-N 3.13Å; F91-P100 WeakPolarHBondContact O-CD 3.26Å; F91-F144 HydrophobicContact CE1-CG 4.47Å; F91-F144 AromaticContact CE2-CD1 3.98Å; F91-F144 HydrophobicContact CE2-CD1 3.98Å; F91-F144 HydrophobicContact CE2-CD2 4.1Å; F91-F144 AromaticContact CE2-CE1 3.76Å; F91-F144 HydrophobicContact CE2-CE1 3.76Å; F91-F144 AromaticContact CE2-CE2 3.86Å; F91-F144 HydrophobicContact CE2-CE2 3.86Å; F91-F144 HydrophobicContact CE2-CG 4.17Å; F91-F144 AromaticContact CE2-CZ 3.7Å; F91-F144 HydrophobicContact CE2-CZ 3.7Å; F91-F144 HydrophobicContact CZ-CB 3.97Å; F91-F144 AromaticContact CZ-CD1 3.58Å; F91-F144 HydrophobicContact CZ-CD1 3.58Å; F91-F144 AromaticContact CZ-CD2 3.66Å; F91-F144 HydrophobicContact CZ-CD2 3.66Å; F91-F144 AromaticContact CZ-CE1 3.88Å; F91-F144 HydrophobicContact CZ-CE1 3.88Å; F91-F144 AromaticContact CZ-CE2 3.91Å; F91-F144 HydrophobicContact CZ-CE2 3.91Å; F91-F144 AromaticContact CZ-CG 3.49Å; F91-F144 HydrophobicContact CZ-CG 3.49Å; F91-F144 VanDerWaalsContact CZ-CG 3.49Å; F91-F144 HydrophobicContact CZ-CZ 4.04Å; F91-F176 HydrophobicContact CB-CD2 4.27Å; F91-F176 AromaticContact CD1-CD2 3.5Å; F91-F176 HydrophobicContact CD1-CD2 3.5Å; F91-F176 HydrophobicContact CD1-CE2 4.04Å; F91-F176 AromaticContact CD2-CD2 3.74Å; F91-F176 HydrophobicContact CD2-CD2 3.74Å; F91-F176 AromaticContact CD2-CE2 3.82Å; F91-F176 HydrophobicContact CD2-CE2 3.82Å; F91-F176 AromaticContact CE1-CD2 3.69Å; F91-F176 HydrophobicContact CE1-CD2 3.69Å; F91-F176 AromaticContact CE1-CE2 3.77Å; F91-F176 HydrophobicContact CE1-CE2 3.77Å; F91-F176 AromaticContact CE2-CD2 3.92Å; F91-F176 HydrophobicContact CE2-CD2 3.92Å; F91-F176 AromaticContact CE2-CE2 3.55Å; F91-F176 HydrophobicContact CE2-CE2 3.55Å; F91-F176 AromaticContact CG-CD2 3.53Å; F91-F176 HydrophobicContact CG-CD2 3.53Å; F91-F176 HydrophobicContact CG-CE2 4.06Å; F91-F176 AromaticContact CZ-CD2 3.91Å; F91-F176 HydrophobicContact CZ-CD2 3.91Å; F91-F176 AromaticContact CZ-CE2 3.54Å; F91-F176 HydrophobicContact CZ-CE2 3.54Å
92	P	96.3	Very high	96.6	Very high	60 Å²	60	37.3 Å²	37.3	39%	0.39	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-18.9	-178	28.3	-36	0	0	0	113	D89 G99 R173	D89-P92 WeakPolarHBondContact O-CD 3.46Å; P92-G99 WeakPolarHBondContact O-CA 2.98Å; P92-R173 HydrophobicContact CG-CB 3.97Å; P92-R173 HydrophobicContact CG-CG 4.31Å
93	K	97.2	Very high	96.5	Very high	9 Å²	9	38.9 Å²	38.9	4%	0.039	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	5.7	-179.2	-54.3	-172.1	164.3	-166.3	0	113.9	P50 A52 F91 G97 E153 F177	P50-K93 WeakPolarHBondContact O-CE 3.41Å; P50-K93 PolarHBondContact O-NZ 3.14Å; P50-K93 VanDerWaalsContact O-NZ 3.15Å; A52-K93 HydrophobicContact CB-CB 3.99Å; A52-K93 HydrophobicContact CB-CD 3.81Å; A52-K93 HydrophobicContact CB-CG 3.81Å; F91-K93 PolarHBondContact O-N 2.7Å; F91-K93 VanDerWaalsContact O-N 3.09Å; K93-G97 WeakPolarHBondContact O-CA 3.5Å; K93-G97 PolarHBondContact O-N 3.48Å; K93-E153 WeakPolarHBondContact CD-OE2 3.39Å; K93-E153 WeakPolarHBondContact CE-OE2 3.43Å; K93-E153 IonicContact NZ-OE1 2.63Å; K93-E153 PolarHBondContact NZ-OE1 2.98Å; K93-E153 IonicContact NZ-OE2 3.1Å; K93-E153 PolarHBondContact NZ-OE2 2.87Å; K93-F177 HydrophobicContact CB-CD2 4.12Å; K93-F177 WeakPolarHBondContact O-CD2 3.46Å
94	A	98.1	Very high	96.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	160.2	-177.7	0	0	0	0	0	112.6	F91 W98 G99 F176	F91-A94 HydrophobicContact CB-CB 4.17Å; F91-A94 WeakPolarHBondContact O-CB 3.15Å; F91-A94 PolarHBondContact O-N 2.91Å; F91-A94 VanDerWaalsContact O-N 3.13Å; A94-W98 PolarHBondContact O-N 2.9Å; A94-G99 CarbonylContact O-C 3.55Å; A94-G99 VanDerWaalsContact O-CA 3.3Å; A94-G99 WeakPolarHBondContact O-CA 3.33Å; A94-G99 PolarHBondContact O-N 3.48Å; A94-F176 CarbonylContact C-O 3.3Å; A94-F176 WeakPolarHBondContact CA-O 3.48Å; A94-F176 HydrophobicContact CB-CB 3.91Å
95	N	97.9	Very high	96.4	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	61.4	176.2	-53.3	-64.4	0	0	0	112.7	G97 W98 G99 S104 Y106 F176 W179	N95-G97 VanDerWaalsContact C-N 3.3Å; N95-G97 PolarHBondContact O-N 2.86Å; N95-W98 WeakPolarHBondContact O-CB 3.48Å; N95-W98 PolarHBondContact O-N 3.11Å; N95-G99 PolarHBondContact ND2-O 2.92Å; N95-S104 WeakPolarHBondContact ND2-CB 3.16Å; N95-S104 WeakPolarHBondContact OD1-CB 3.45Å; N95-Y106 PolarHBondContact ND2-O 2.89Å; N95-Y106 WeakPolarHBondContact OD1-CB 3.35Å; N95-Y106 WeakPolarHBondContact OD1-CD2 3.47Å; N95-Y106 PolarHBondContact OD1-N 3.16Å; N95-Y106 VanDerWaalsContact OD1-N 3.08Å; N95-F176 PolarHBondContact N-O 2.66Å; N95-W179 HydrophobicContact CB-CZ2 3.93Å; N95-W179 PolarHBondContact OD1-NE1 2.98Å; N95-W179 VanDerWaalsContact OD1-NE1 3.15Å
96	L	97.7	Very high	96.5	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.01	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	59	37.9	175	-51.8	177.4	0	0	0	113.8	K54 F55 F177 W179 P184 Y196	K54-L96 WeakPolarHBondContact CA-O 3.14Å; F55-L96 HydrophobicContact CB-CB 4.11Å; F55-L96 HydrophobicContact CB-CD1 4.41Å; F55-L96 PolarHBondContact N-O 3.43Å; F55-L96 VanDerWaalsContact N-O 3.08Å; L96-F177 HydrophobicContact CD2-CD1 4.49Å; L96-F177 HydrophobicContact CD2-CE1 4.44Å; L96-F177 PolarHBondContact N-O 2.82Å; L96-W179 HydrophobicContact CD1-CD2 4.43Å; L96-W179 HydrophobicContact CD1-CE3 3.91Å; L96-W179 HydrophobicContact CD1-CH2 3.93Å; L96-W179 HydrophobicContact CD1-CZ2 4.47Å; L96-W179 HydrophobicContact CD1-CZ3 3.61Å; L96-W179 HydrophobicContact CG-CD2 4.45Å; L96-W179 HydrophobicContact CG-CE3 4.41Å; L96-W179 HydrophobicContact CG-CH2 4.43Å; L96-W179 HydrophobicContact CG-CZ2 4.5Å; L96-W179 HydrophobicContact CG-CZ3 4.38Å; L96-P184 HydrophobicContact CD2-CB 3.84Å; L96-Y196 HydrophobicContact CD1-CD1 4.49Å
97	G	97.8	Very high	96.7	Very high	6 Å²	6	24.7 Å²	24.7	6%	0.062	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.9	1.3	177.6	0	0	0	0	0	115.3	K93 N95 F177	K93-G97 WeakPolarHBondContact O-CA 3.5Å; K93-G97 PolarHBondContact O-N 3.48Å; N95-G97 VanDerWaalsContact C-N 3.3Å; N95-G97 PolarHBondContact O-N 2.86Å; G97-F177 VanDerWaalsContact N-CE2 3.28Å
98	W	97.3	Very high	96.7	Very high	98 Å²	98	26.2 Å²	26.2	37%	0.371	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-11.8	179.7	-69.9	98.3	0	0	0	114.3	K54 F55 G56 A94 N95	K54-W98 HydrophobicContact CB-CD2 4.41Å; K54-W98 HydrophobicContact CB-CZ2 3.87Å; K54-W98 HydrophobicContact CD-CD2 4.01Å; K54-W98 HydrophobicContact CD-CE3 3.83Å; K54-W98 HydrophobicContact CD-CH2 3.87Å; K54-W98 HydrophobicContact CD-CZ2 4.03Å; K54-W98 HydrophobicContact CD-CZ3 3.77Å; K54-W98 HydrophobicContact CG-CD2 4.22Å; K54-W98 HydrophobicContact CG-CZ2 4.37Å; F55-W98 PolarHBondContact O-NE1 2.94Å; G56-W98 WeakPolarHBondContact O-CZ2 3.48Å; A94-W98 PolarHBondContact O-N 2.9Å; N95-W98 WeakPolarHBondContact O-CB 3.48Å; N95-W98 PolarHBondContact O-N 3.11Å
99	G	97.1	Very high	96.8	Very high	6 Å²	6	25.2 Å²	25.2	6%	0.062	13%	0.133	C	C	.	.			trans	82.9	177.2	-175.8	0	0	0	0	0	113.4	P92 A94 N95 N101	P92-G99 WeakPolarHBondContact O-CA 2.98Å; A94-G99 CarbonylContact O-C 3.55Å; A94-G99 VanDerWaalsContact O-CA 3.3Å; A94-G99 WeakPolarHBondContact O-CA 3.33Å; A94-G99 PolarHBondContact O-N 3.48Å; N95-G99 PolarHBondContact ND2-O 2.92Å; G99-N101 PolarHBondContact O-N 3.47Å
100	P	97.3	Very high	97	Very high	31 Å²	31	22.5 Å²	22.5	20%	0.201	12%	0.119	C	C	.	.			trans	-72.7	128.6	-177.6	29.9	-32.6	0	0	0	110.4	F87 N88 F91 Y106	F87-P100 HydrophobicContact CD1-CB 4.03Å; F87-P100 HydrophobicContact CE1-CB 3.75Å; N88-P100 HydrophobicContact CB-CG 4.08Å; N88-P100 WeakPolarHBondContact OD1-CG 3.32Å; F91-P100 WeakPolarHBondContact O-CD 3.26Å; P100-Y106 WeakPolarHBondContact CA-O 3.44Å
101	N	95.5	Very high	97.2	Very high	56 Å²	56	20.5 Å²	20.5	30%	0.299	11%	0.108	S	C	.	.			trans	-149.6	135.7	-175.7	-171.1	-75.5	0	0	0	110.4	P59 G99 C103 S104 Y106 S107	P59-N101 HydrophobicContact CB-CB 4.41Å; P59-N101 HydrophobicContact CG-CB 4.24Å; G99-N101 PolarHBondContact O-N 3.47Å; N101-C103 PolarHBondContact O-N 3.19Å; N101-C103 VanDerWaalsContact O-N 3.08Å; N101-C103 VanDerWaalsContact OD1-CB 3.26Å; N101-C103 WeakPolarHBondContact OD1-CB 3.37Å; N101-C103 PolarHBondContact OD1-N 2.84Å; N101-C103 PolarHBondContact OD1-SG 2.79Å; N101-S104 PolarHBondContact O-N 3.31Å; N101-Y106 PolarHBondContact N-O 3.15Å; N101-S107 WeakPolarHBondContact O-CB 3.42Å
102	E	95.8	Very high	97.2	Very high	41 Å²	41	21.1 Å²	21.1	19%	0.192	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-20.4	-178.9	-70.6	169.4	-156.2	0	0	113.5	K66 P67 K84 S104 E109	K66-E102 WeakPolarHBondContact CD-OE2 2.96Å; K66-E102 WeakPolarHBondContact CE-OE2 3.24Å; K66-E102 HydrophobicContact CG-CB 4.32Å; K66-E102 IonicContact NZ-OE2 2.63Å; K66-E102 PolarHBondContact NZ-OE2 2.96Å; P67-E102 VanDerWaalsContact CD-O 3.25Å; P67-E102 WeakPolarHBondContact CD-O 3.27Å; K84-E102 IonicContact NZ-OE1 3.59Å; K84-E102 PolarHBondContact NZ-OE1 3.09Å; E102-S104 VanDerWaalsContact C-N 3.32Å; E102-E109 HydrophobicContact CG-CB 4.22Å; E102-E109 HydrophobicContact CG-CG 3.82Å; E102-E109 WeakPolarHBondContact CG-OE2 3.47Å
103	C	94.4	Very high	97.3	Very high	34 Å²	34	19 Å²	19	23%	0.23	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	1	178.3	-33.1	0	0	0	0	112.5	P59 C63 N101	P59-C103 HydrophobicContact CB-CB 4.06Å; C63-C103 HydrophobicContact CB-CB 3.96Å; C63-C103 WeakPolarHBondContact CB-SG 3.46Å; C63-C103 WeakPolarHBondContact SG-CB 3.15Å; C63-C103 CovalentContact SG-SG 2.01Å; C63-C103 PolarHBondContact SG-SG 3.18Å; N101-C103 PolarHBondContact O-N 3.19Å; N101-C103 VanDerWaalsContact O-N 3.08Å; N101-C103 VanDerWaalsContact OD1-CB 3.26Å; N101-C103 WeakPolarHBondContact OD1-CB 3.37Å; N101-C103 PolarHBondContact OD1-N 2.84Å; N101-C103 PolarHBondContact OD1-SG 2.79Å
104	S	95.7	Very high	97.4	Very high	6 Å²	6	18.5 Å²	18.5	4%	0.042	10%	0.095	C	C	.	.	S	Bend	trans	-116.4	159.6	177.2	-59.8	0	0	0	0	110.1	N95 N101 E102 Y106	N95-S104 WeakPolarHBondContact ND2-CB 3.16Å; N95-S104 WeakPolarHBondContact OD1-CB 3.45Å; N101-S104 PolarHBondContact O-N 3.31Å; E102-S104 VanDerWaalsContact C-N 3.32Å; S104-Y106 VanDerWaalsContact C-N 3.25Å; S104-Y106 PolarHBondContact O-N 3.03Å
105	P	96.4	Very high	97.4	Very high	8 Å²	8	18.5 Å²	18.5	5%	0.052	10%	0.095	C	C	.	.	S	Bend	trans	-55	-38.5	-177.5	-29.3	36.9	0	0	0	114.1	S110 W179 P198 M274 A282	P105-S110 WeakPolarHBondContact O-CB 3.4Å; P105-S110 PolarHBondContact O-OG 2.79Å; P105-W179 HydrophobicContact CG-CD2 4.35Å; P105-W179 HydrophobicContact CG-CG 4.45Å; P105-W179 HydrophobicContact CG-CZ2 4.32Å; P105-P198 HydrophobicContact CG-CB 4.11Å; P105-P198 HydrophobicContact CG-CG 3.57Å; P105-M274 HydrophobicContact CB-CE 3.63Å; P105-M274 HydrophobicContact CG-CE 3.64Å; P105-A282 HydrophobicContact CB-CB 3.9Å
106	Y	98	Very high	97.4	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.102	C	C	.	.			trans	-104	112	-176	-47.5	-42.5	0	0	0	111.6	N95 P100 N101 S104 F176 N178 W179 G240 A241 A282 I283	N95-Y106 PolarHBondContact ND2-O 2.89Å; N95-Y106 WeakPolarHBondContact OD1-CB 3.35Å; N95-Y106 WeakPolarHBondContact OD1-CD2 3.47Å; N95-Y106 PolarHBondContact OD1-N 3.16Å; N95-Y106 VanDerWaalsContact OD1-N 3.08Å; P100-Y106 WeakPolarHBondContact CA-O 3.44Å; N101-Y106 PolarHBondContact N-O 3.15Å; S104-Y106 VanDerWaalsContact C-N 3.25Å; S104-Y106 PolarHBondContact O-N 3.03Å; Y106-F176 AromaticContact CD1-CD1 3.82Å; Y106-F176 HydrophobicContact CD1-CD1 3.82Å; Y106-F176 HydrophobicContact CD2-CB 3.61Å; Y106-F176 HydrophobicContact CD2-CD1 4.14Å; Y106-F176 HydrophobicContact CD2-CG 4.37Å; Y106-F176 WeakPolarHBondContact CD2-O 3.23Å; Y106-F176 HydrophobicContact CE1-CD1 4.12Å; Y106-F176 HydrophobicContact CE2-CB 4.06Å; Y106-F176 HydrophobicContact CE2-CD1 4.36Å; Y106-F176 VanDerWaalsContact CE2-O 3.27Å; Y106-F176 WeakPolarHBondContact CE2-O 3.17Å; Y106-F176 HydrophobicContact CG-CB 3.94Å; Y106-F176 AromaticContact CG-CD1 3.8Å; Y106-F176 HydrophobicContact CG-CD1 3.8Å; Y106-F176 HydrophobicContact CG-CG 4.28Å; Y106-N178 WeakPolarHBondContact CE2-O 3.27Å; Y106-N178 PolarHBondContact OH-O 3.29Å; Y106-W179 AromaticContact CD2-CD1 3.95Å; Y106-W179 AromaticContact CD2-NE1 3.92Å; Y106-W179 AromaticContact CE2-CD1 3.4Å; Y106-W179 AromaticContact CE2-NE1 3.85Å; Y106-W179 AromaticContact CZ-CD1 3.78Å; Y106-G240 WeakPolarHBondContact OH-CA 3.45Å; Y106-A241 HydrophobicContact CE1-CB 4.19Å; Y106-A241 PolarHBondContact OH-N 2.94Å; Y106-A282 HydrophobicContact CE1-CB 4.29Å; Y106-I283 HydrophobicContact CD1-CD1 3.55Å; Y106-I283 HydrophobicContact CD1-CG1 4.36Å; Y106-I283 HydrophobicContact CE1-CD1 4.11Å
107	S	98	Very high	97.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.103	C	C	.	.			trans	-149.6	162.1	174.6	64.1	0	0	0	0	109.3	N101 E109 S110 F111	N101-S107 WeakPolarHBondContact O-CB 3.42Å; S107-E109 PolarHBondContact O-N 3.29Å; S107-S110 PolarHBondContact O-N 2.82Å; S107-S110 WeakPolarHBondContact OG-CB 3.26Å; S107-S110 PolarHBondContact OG-N 3.04Å; S107-S110 PolarHBondContact OG-OG 3.27Å; S107-F111 WeakPolarHBondContact O-CB 3.12Å; S107-F111 PolarHBondContact O-N 3.45Å
108	Y	98.5	Very high	97.4	Very high	31 Å²	31	21.2 Å²	21.2	12%	0.122	10%	0.103	C	C	.	.	H	α-helix	trans	-55.7	-44.2	172.1	171	-103.8	0	0	0	110.9	F82 T83 K84 F87 F111 I112	F82-Y108 HydrophobicContact CD1-CE2 4.28Å; F82-Y108 WeakPolarHBondContact O-CE2 3.35Å; F82-Y108 PolarHBondContact O-OH 3.1Å; T83-Y108 VanDerWaalsContact C-CE2 3.41Å; K84-Y108 HydrophobicContact CB-CD1 3.6Å; K84-Y108 HydrophobicContact CB-CD2 4.23Å; K84-Y108 HydrophobicContact CB-CE1 4.01Å; K84-Y108 HydrophobicContact CB-CG 3.71Å; K84-Y108 HydrophobicContact CD-CD1 4.22Å; K84-Y108 HydrophobicContact CG-CD1 4Å; K84-Y108 HydrophobicContact CG-CG 3.99Å; F87-Y108 HydrophobicContact CB-CD2 3.94Å; F87-Y108 HydrophobicContact CB-CG 4.49Å; F87-Y108 HydrophobicContact CG-CD2 4.46Å; Y108-F111 WeakPolarHBondContact O-CB 3.44Å; Y108-F111 PolarHBondContact O-N 2.96Å; Y108-F111 VanDerWaalsContact O-N 3.13Å; Y108-I112 HydrophobicContact CD1-CD1 4.45Å; Y108-I112 HydrophobicContact CD1-CG1 4.49Å; Y108-I112 HydrophobicContact CD2-CG2 4Å; Y108-I112 HydrophobicContact CE1-CD1 3.79Å; Y108-I112 HydrophobicContact CE1-CG1 4.19Å; Y108-I112 HydrophobicContact CE1-CG2 4.14Å; Y108-I112 HydrophobicContact CE2-CG2 3.42Å; Y108-I112 VanDerWaalsContact CE2-CG2 3.42Å; Y108-I112 WeakPolarHBondContact O-CG1 3.47Å; Y108-I112 PolarHBondContact O-N 2.89Å
109	E	98.2	Very high	97.2	Very high	37 Å²	37	21.3 Å²	21.3	17%	0.173	12%	0.116	C	C	.	.	H	α-helix	trans	-60.5	-47.9	179	-69.1	69.5	-154.1	0	0	111.7	P67 K84 E102 S107 F111 I113	P67-E109 HydrophobicContact CB-CB 4.31Å; P67-E109 HydrophobicContact CG-CB 4.09Å; K84-E109 WeakPolarHBondContact CD-OE1 3.44Å; K84-E109 VanDerWaalsContact CE-OE1 3.31Å; K84-E109 WeakPolarHBondContact CE-OE1 3.45Å; K84-E109 IonicContact NZ-OE1 2.76Å; K84-E109 PolarHBondContact NZ-OE1 2.85Å; K84-E109 IonicContact NZ-OE2 3.63Å; K84-E109 PolarHBondContact NZ-OE2 3.37Å; E102-E109 HydrophobicContact CG-CB 4.22Å; E102-E109 HydrophobicContact CG-CG 3.82Å; E102-E109 WeakPolarHBondContact CG-OE2 3.47Å; S107-E109 PolarHBondContact O-N 3.29Å; E109-F111 PolarHBondContact O-N 3.14Å; E109-I113 WeakPolarHBondContact O-CB 3.48Å; E109-I113 WeakPolarHBondContact O-CD1 3.42Å; E109-I113 VanDerWaalsContact O-CG1 3.28Å; E109-I113 WeakPolarHBondContact O-CG1 3.26Å; E109-I113 PolarHBondContact O-N 3.03Å; E109-I113 VanDerWaalsContact O-N 3.09Å
110	S	98.3	Very high	97	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.007	14%	0.143	C	C	.	.	H	α-helix	trans	-56.6	-44	174.1	-67.6	0	0	0	0	110.8	P67 P105 S107 A114 P280	P67-S110 VanDerWaalsContact CG-OG 3.25Å; P67-S110 WeakPolarHBondContact CG-OG 3.27Å; P105-S110 WeakPolarHBondContact O-CB 3.4Å; P105-S110 PolarHBondContact O-OG 2.79Å; S107-S110 PolarHBondContact O-N 2.82Å; S107-S110 WeakPolarHBondContact OG-CB 3.26Å; S107-S110 PolarHBondContact OG-N 3.04Å; S107-S110 PolarHBondContact OG-OG 3.27Å; S110-A114 VanDerWaalsContact O-CB 3.26Å; S110-A114 WeakPolarHBondContact O-CB 3.5Å; S110-A114 PolarHBondContact O-N 2.73Å; S110-P280 WeakPolarHBondContact O-CG 3.3Å
111	F	98.5	Very high	96.9	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-66.5	-51.2	-176.3	-176.4	-98.6	0	0	0	112.9	L78 F82 F87 S107 Y108 E109 I113 A114 A115 F121 L140 F143 F144 I283 I287	L78-F111 HydrophobicContact CD1-CE1 4.15Å; L78-F111 HydrophobicContact CD1-CZ 4.39Å; F82-F111 HydrophobicContact CD1-CD1 4.19Å; F82-F111 AromaticContact CD1-CE1 3.97Å; F82-F111 HydrophobicContact CD1-CE1 3.97Å; F82-F111 AromaticContact CE1-CD1 3.82Å; F82-F111 HydrophobicContact CE1-CD1 3.82Å; F82-F111 AromaticContact CE1-CE1 3.74Å; F82-F111 HydrophobicContact CE1-CE1 3.74Å; F87-F111 HydrophobicContact CD2-CB 4.41Å; F87-F111 HydrophobicContact CD2-CD1 4.49Å; F87-F111 HydrophobicContact CD2-CG 4.38Å; F87-F111 HydrophobicContact CE2-CB 3.92Å; F87-F111 HydrophobicContact CE2-CD2 4.3Å; F87-F111 AromaticContact CE2-CG 3.99Å; F87-F111 HydrophobicContact CE2-CG 3.99Å; F87-F111 HydrophobicContact CZ-CB 4.46Å; S107-F111 WeakPolarHBondContact O-CB 3.12Å; S107-F111 PolarHBondContact O-N 3.45Å; Y108-F111 WeakPolarHBondContact O-CB 3.44Å; Y108-F111 PolarHBondContact O-N 2.96Å; Y108-F111 VanDerWaalsContact O-N 3.13Å; E109-F111 PolarHBondContact O-N 3.14Å; F111-I113 PolarHBondContact O-N 3.48Å; F111-A114 PolarHBondContact O-N 2.94Å; F111-A115 WeakPolarHBondContact O-CB 3.35Å; F111-A115 PolarHBondContact O-N 3.22Å; F111-F121 HydrophobicContact CE2-CE1 4.2Å; F111-F121 AromaticContact CZ-CE1 3.71Å; F111-F121 HydrophobicContact CZ-CE1 3.71Å; F111-F121 HydrophobicContact CZ-CZ 4.19Å; F111-L140 HydrophobicContact CE1-CD1 3.88Å; F111-L140 HydrophobicContact CE2-CD1 4.48Å; F111-L140 HydrophobicContact CZ-CD1 3.41Å; F111-L140 VanDerWaalsContact CZ-CD1 3.41Å; F111-F143 HydrophobicContact CE2-CD1 4.13Å; F111-F143 AromaticContact CE2-CE1 3.7Å; F111-F143 HydrophobicContact CE2-CE1 3.7Å; F111-F144 HydrophobicContact CD2-CE1 4.36Å; F111-F144 HydrophobicContact CE1-CZ 4.2Å; F111-F144 AromaticContact CE2-CE1 3.72Å; F111-F144 HydrophobicContact CE2-CE1 3.72Å; F111-F144 HydrophobicContact CE2-CZ 4.18Å; F111-F144 AromaticContact CZ-CE1 3.83Å; F111-F144 HydrophobicContact CZ-CE1 3.83Å; F111-F144 AromaticContact CZ-CZ 3.85Å; F111-F144 HydrophobicContact CZ-CZ 3.85Å; F111-I283 HydrophobicContact CD2-CG2 3.75Å; F111-I283 HydrophobicContact CE2-CG2 4.38Å; F111-I287 HydrophobicContact CE2-CD1 4.47Å
112	I	98.1	Very high	96.8	Very high	17 Å²	17	23.3 Å²	23.3	9%	0.087	12%	0.119	C	C	.	.	H	α-helix	trans	-67	-36.6	-179.4	58.6	155.7	0	0	0	112.2	E79 Y108 A115 R116	E79-I112 HydrophobicContact CG-CB 3.85Å; E79-I112 HydrophobicContact CG-CD1 4.23Å; E79-I112 HydrophobicContact CG-CG2 3.96Å; Y108-I112 HydrophobicContact CD1-CD1 4.45Å; Y108-I112 HydrophobicContact CD1-CG1 4.49Å; Y108-I112 HydrophobicContact CD2-CG2 4Å; Y108-I112 HydrophobicContact CE1-CD1 3.79Å; Y108-I112 HydrophobicContact CE1-CG1 4.19Å; Y108-I112 HydrophobicContact CE1-CG2 4.14Å; Y108-I112 HydrophobicContact CE2-CG2 3.42Å; Y108-I112 VanDerWaalsContact CE2-CG2 3.42Å; Y108-I112 WeakPolarHBondContact O-CG1 3.47Å; Y108-I112 PolarHBondContact O-N 2.89Å; I112-A115 PolarHBondContact O-N 3.14Å; I112-R116 WeakPolarHBondContact O-CG 3.47Å; I112-R116 PolarHBondContact O-N 3.01Å
113	I	98.5	Very high	96.5	Very high	14 Å²	14	22.6 Å²	22.6	7%	0.072	12%	0.118	C	C	.	.	H	α-helix	trans	-64.9	-45.8	176	-70.4	168.7	0	0	0	110	P67 D69 E109 F111 A115 R116 Y117 P279 P280	P67-I113 HydrophobicContact CB-CD1 3.96Å; D69-I113 HydrophobicContact CB-CG2 3.84Å; E109-I113 WeakPolarHBondContact O-CB 3.48Å; E109-I113 WeakPolarHBondContact O-CD1 3.42Å; E109-I113 VanDerWaalsContact O-CG1 3.28Å; E109-I113 WeakPolarHBondContact O-CG1 3.26Å; E109-I113 PolarHBondContact O-N 3.03Å; E109-I113 VanDerWaalsContact O-N 3.09Å; F111-I113 PolarHBondContact O-N 3.48Å; I113-A115 VanDerWaalsContact C-N 3.33Å; I113-A115 PolarHBondContact O-N 2.9Å; I113-R116 WeakPolarHBondContact O-CB 3.46Å; I113-R116 PolarHBondContact O-N 2.78Å; I113-Y117 WeakPolarHBondContact O-CD2 3.25Å; I113-P279 HydrophobicContact CG2-CB 4.38Å; I113-P280 HydrophobicContact CB-CG 4.05Å; I113-P280 HydrophobicContact CG2-CG 3.91Å
114	A	98.5	Very high	96.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-58.1	-46	177	0	0	0	0	0	111.6	S110 F111 R116 Y117 F118 P280 I283 M284 I287	S110-A114 VanDerWaalsContact O-CB 3.26Å; S110-A114 WeakPolarHBondContact O-CB 3.5Å; S110-A114 PolarHBondContact O-N 2.73Å; F111-A114 PolarHBondContact O-N 2.94Å; A114-R116 PolarHBondContact O-N 3.44Å; A114-Y117 PolarHBondContact O-N 3.31Å; A114-Y117 VanDerWaalsContact O-N 3.08Å; A114-F118 WeakPolarHBondContact O-CD2 3.19Å; A114-P280 HydrophobicContact CB-CG 4.41Å; A114-I283 HydrophobicContact CB-CB 3.79Å; A114-I283 HydrophobicContact CB-CG2 3.56Å; A114-M284 HydrophobicContact CB-CB 4.3Å; A114-M284 HydrophobicContact CB-CG 3.38Å; A114-I287 HydrophobicContact CB-CD1 4.05Å
115	A	98.2	Very high	95.8	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-59.4	-27.9	179.6	0	0	0	0	0	114	L78 F111 I112 I113 Y117 F118 F121 I287	L78-A115 HydrophobicContact CD1-CB 3.97Å; F111-A115 WeakPolarHBondContact O-CB 3.35Å; F111-A115 PolarHBondContact O-N 3.22Å; I112-A115 PolarHBondContact O-N 3.14Å; I113-A115 VanDerWaalsContact C-N 3.33Å; I113-A115 PolarHBondContact O-N 2.9Å; A115-Y117 PolarHBondContact O-N 3.2Å; A115-F118 CarbonylContact O-C 3.35Å; A115-F118 PolarHBondContact O-N 3.24Å; A115-F121 HydrophobicContact CB-CD1 4.05Å; A115-I287 HydrophobicContact CB-CD1 4.43Å
116	R	98.1	Very high	95.1	Very high	45 Å²	45	30.2 Å²	30.2	17%	0.17	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-22.4	176.4	-65.7	175.7	-176	168.8	4	113.9	D69 R73 P74 E79 I112 I113 A114	D69-R116 IonicContact OD2-NH1 3.58Å; R73-R116 HydrophobicContact CB-CB 3.69Å; P74-R116 WeakPolarHBondContact O-CB 3.48Å; P74-R116 VanDerWaalsContact O-CG 3.3Å; P74-R116 WeakPolarHBondContact O-CG 3.29Å; E79-R116 WeakPolarHBondContact OE1-CG 3.49Å; E79-R116 IonicContact OE1-CZ 3.82Å; E79-R116 IonicContact OE1-NE 3.7Å; E79-R116 PolarHBondContact OE1-NE 2.95Å; E79-R116 IonicContact OE1-NH2 3.02Å; E79-R116 IonicContact OE2-CZ 2.69Å; E79-R116 IonicContact OE2-NE 3.09Å; E79-R116 IonicContact OE2-NH2 3.24Å; E79-R116 PolarHBondContact OE2-NH2 2.99Å; I112-R116 WeakPolarHBondContact O-CG 3.47Å; I112-R116 PolarHBondContact O-N 3.01Å; I113-R116 WeakPolarHBondContact O-CB 3.46Å; I113-R116 PolarHBondContact O-N 2.78Å; A114-R116 PolarHBondContact O-N 3.44Å
117	Y	98.1	Very high	94.5	Very high	8 Å²	8	37.2 Å²	37.2	3%	0.031	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-3.9	176.5	-70	-107.1	0	0	0	112.6	D69 N71 R73 I113 A114 A115 N260 V262 P279 M284	D69-Y117 WeakPolarHBondContact OD1-CE2 3.47Å; D69-Y117 PolarHBondContact OD1-OH 2.88Å; N71-Y117 WeakPolarHBondContact CB-OH 3.29Å; N71-Y117 PolarHBondContact ND2-OH 3.46Å; N71-Y117 VanDerWaalsContact ND2-OH 3.13Å; R73-Y117 HydrophobicContact CB-CE2 4.49Å; R73-Y117 HydrophobicContact CG-CD1 4.21Å; R73-Y117 HydrophobicContact CG-CD2 4.04Å; R73-Y117 HydrophobicContact CG-CE1 3.95Å; R73-Y117 HydrophobicContact CG-CE2 3.72Å; R73-Y117 HydrophobicContact CG-CG 4.25Å; I113-Y117 WeakPolarHBondContact O-CD2 3.25Å; A114-Y117 PolarHBondContact O-N 3.31Å; A114-Y117 VanDerWaalsContact O-N 3.08Å; A115-Y117 PolarHBondContact O-N 3.2Å; Y117-N260 HydrophobicContact CD1-CB 4.32Å; Y117-V262 HydrophobicContact CE1-CG2 3.85Å; Y117-P279 HydrophobicContact CE1-CG 4.49Å; Y117-P279 HydrophobicContact CE2-CB 4.05Å; Y117-P279 HydrophobicContact CE2-CG 4.42Å; Y117-M284 HydrophobicContact CD1-CE 3.66Å; Y117-M284 HydrophobicContact CD2-CE 3.93Å; Y117-M284 HydrophobicContact CD2-SD 4.28Å; Y117-M284 HydrophobicContact CE1-CE 4.13Å; Y117-M284 HydrophobicContact CE2-CE 4.41Å; Y117-M284 HydrophobicContact CG-CE 3.56Å; Y117-M284 HydrophobicContact CG-SD 4.48Å
118	F	96.9	Very high	94	Very high	13 Å²	13	38 Å²	38	6%	0.057	20%	0.2	C	C	.	.			trans	-129.3	78.3	179.2	-57.5	-88.8	0	0	0	109.8	A114 A115 E120 F121 W256 M284 I287 W288 M291	A114-F118 WeakPolarHBondContact O-CD2 3.19Å; A115-F118 CarbonylContact O-C 3.35Å; A115-F118 PolarHBondContact O-N 3.24Å; F118-E120 PolarHBondContact O-N 3.42Å; F118-F121 HydrophobicContact CB-CB 3.77Å; F118-F121 VanDerWaalsContact O-CB 3.26Å; F118-F121 WeakPolarHBondContact O-CB 3.2Å; F118-F121 PolarHBondContact O-N 3.24Å; F118-W256 HydrophobicContact CD1-CH2 4.3Å; F118-W256 AromaticContact CD1-CZ2 3.92Å; F118-W256 HydrophobicContact CD1-CZ2 3.92Å; F118-W256 HydrophobicContact CD2-CH2 4.42Å; F118-W256 AromaticContact CE1-CE2 3.98Å; F118-W256 AromaticContact CE1-CH2 3.51Å; F118-W256 HydrophobicContact CE1-CH2 3.51Å; F118-W256 AromaticContact CE1-CZ2 3.3Å; F118-W256 HydrophobicContact CE1-CZ2 3.3Å; F118-W256 HydrophobicContact CE1-CZ3 4.34Å; F118-W256 AromaticContact CE2-CH2 3.67Å; F118-W256 HydrophobicContact CE2-CH2 3.67Å; F118-W256 HydrophobicContact CE2-CZ2 4.26Å; F118-W256 HydrophobicContact CE2-CZ3 4.39Å; F118-W256 AromaticContact CZ-CH2 3.13Å; F118-W256 HydrophobicContact CZ-CH2 3.13Å; F118-W256 AromaticContact CZ-CZ2 3.5Å; F118-W256 HydrophobicContact CZ-CZ2 3.5Å; F118-W256 AromaticContact CZ-CZ3 3.74Å; F118-W256 HydrophobicContact CZ-CZ3 3.74Å; F118-M284 HydrophobicContact CE2-CB 4.44Å; F118-I287 HydrophobicContact CB-CG2 3.98Å; F118-I287 HydrophobicContact CD1-CG2 3.88Å; F118-I287 HydrophobicContact CD2-CB 3.95Å; F118-I287 HydrophobicContact CD2-CD1 4.46Å; F118-I287 HydrophobicContact CD2-CG2 3.41Å; F118-I287 VanDerWaalsContact CD2-CG2 3.41Å; F118-I287 HydrophobicContact CE1-CG2 4.2Å; F118-I287 HydrophobicContact CE2-CB 3.85Å; F118-I287 HydrophobicContact CE2-CG2 3.78Å; F118-I287 HydrophobicContact CG-CB 4.44Å; F118-I287 HydrophobicContact CG-CG2 3.47Å; F118-I287 VanDerWaalsContact CG-CG2 3.47Å; F118-I287 HydrophobicContact CZ-CB 4.25Å; F118-I287 HydrophobicContact CZ-CG2 4.16Å; F118-W288 HydrophobicContact CE1-CB 4.02Å; F118-W288 HydrophobicContact CZ-CB 3.78Å; F118-M291 HydrophobicContact CB-CE 4.41Å; F118-M291 HydrophobicContact CB-SD 3.59Å; F118-M291 VanDerWaalsContact CB-SD 3.59Å; F118-M291 HydrophobicContact CD1-SD 3.67Å; F118-M291 HydrophobicContact CG-SD 3.88Å
119	P	93.9	Very high	93.6	Very high	100 Å²	100	40.2 Å²	40.2	65%	0.649	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-19.7	-172.2	-25.7	36	0	0	0	115.4	T123	P119-T123 WeakPolarHBondContact O-CG2 3.48Å
120	E	92.7	Very high	93.4	Very high	134 Å²	134	42.5 Å²	42.5	63%	0.626	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	-7.1	177.2	-61.4	179	170.9	0	0	112.7	F118 T123 M291 H301	F118-E120 PolarHBondContact O-N 3.42Å; E120-T123 WeakPolarHBondContact CA-OG1 3.16Å; E120-T123 PolarHBondContact O-OG1 2.87Å; E120-M291 HydrophobicContact CB-CE 4.05Å; E120-H301 PolarHBondContact O-CE1 3.09Å
121	F	95.4	Very high	93.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	130	177.8	-176.3	-127.5	0	0	0	111.5	L78 F111 A115 F118 T123 D139 L140 F143 I287 Y290 M291	L78-F121 HydrophobicContact CD1-CD1 3.62Å; L78-F121 HydrophobicContact CD1-CE1 3.66Å; F111-F121 HydrophobicContact CE2-CE1 4.2Å; F111-F121 AromaticContact CZ-CE1 3.71Å; F111-F121 HydrophobicContact CZ-CE1 3.71Å; F111-F121 HydrophobicContact CZ-CZ 4.19Å; A115-F121 HydrophobicContact CB-CD1 4.05Å; F118-F121 HydrophobicContact CB-CB 3.77Å; F118-F121 VanDerWaalsContact O-CB 3.26Å; F118-F121 WeakPolarHBondContact O-CB 3.2Å; F118-F121 PolarHBondContact O-N 3.24Å; F121-T123 PolarHBondContact O-N 3.25Å; F121-D139 WeakPolarHBondContact CD2-OD2 3.33Å; F121-L140 HydrophobicContact CE1-CD1 4.43Å; F121-L140 HydrophobicContact CZ-CD1 4.13Å; F121-F143 HydrophobicContact CE2-CB 3.99Å; F121-F143 HydrophobicContact CE2-CD2 4.49Å; F121-F143 HydrophobicContact CE2-CG 4.2Å; F121-F143 HydrophobicContact CZ-CB 3.97Å; F121-F143 HydrophobicContact CZ-CD1 4.05Å; F121-F143 HydrophobicContact CZ-CD2 4.34Å; F121-F143 AromaticContact CZ-CG 3.85Å; F121-F143 HydrophobicContact CZ-CG 3.85Å; F121-I287 HydrophobicContact CB-CG2 4.43Å; F121-I287 HydrophobicContact CD1-CD1 4Å; F121-I287 HydrophobicContact CD1-CG1 4.49Å; F121-I287 HydrophobicContact CD1-CG2 4.11Å; F121-I287 HydrophobicContact CD2-CG2 4.33Å; F121-I287 HydrophobicContact CE1-CD1 3.83Å; F121-I287 HydrophobicContact CE1-CG1 4.16Å; F121-I287 HydrophobicContact CE1-CG2 4.49Å; F121-I287 HydrophobicContact CG-CG2 4.03Å; F121-I287 HydrophobicContact CZ-CG1 4.49Å; F121-Y290 HydrophobicContact CD2-CD1 4.27Å; F121-Y290 HydrophobicContact CD2-CE1 4.17Å; F121-Y290 HydrophobicContact CE2-CD1 4.01Å; F121-Y290 AromaticContact CE2-CE1 3.86Å; F121-Y290 HydrophobicContact CE2-CE1 3.86Å; F121-M291 HydrophobicContact CB-CE 4.07Å; F121-M291 HydrophobicContact CB-SD 3.6Å; F121-M291 VanDerWaalsContact CB-SD 3.6Å; F121-M291 HydrophobicContact CD2-SD 4.13Å; F121-M291 HydrophobicContact CG-SD 4.12Å
122	G	92.4	Very high	92.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.6	28.4	180	0	0	0	0	0	112.9	Y136 D139	G122-Y136 WeakPolarHBondContact O-CD1 3.47Å; G122-D139 PolarHBondContact N-OD2 3.08Å
123	T	90.1	Very high	92.7	Very high	27 Å²	27	52.3 Å²	52.3	17%	0.166	30%	0.297	C	S	.	.			trans	-108.6	-169.2	177.6	67.4	0	0	0	0	112.3	K77 P119 E120 F121 Y136 M305	K77-T123 HydrophobicContact CB-CG2 4Å; P119-T123 WeakPolarHBondContact O-CG2 3.48Å; E120-T123 WeakPolarHBondContact CA-OG1 3.16Å; E120-T123 PolarHBondContact O-OG1 2.87Å; F121-T123 PolarHBondContact O-N 3.25Å; T123-Y136 VanDerWaalsContact C-CE1 3.4Å; T123-Y136 WeakPolarHBondContact O-CD1 3.42Å; T123-M305 VanDerWaalsContact O-CE 3.29Å; T123-M305 WeakPolarHBondContact O-CE 3.26Å
124	E	89.2	Confident	92.5	Very high	103 Å²	103	55.1 Å²	55.1	48%	0.481	31%	0.31	S	S	.	.			trans	-92.9	150.5	-178.6	62.5	-171	-166.1	0	0	110.2	A132 Y136	E124-A132 HydrophobicContact CB-CB 3.99Å; E124-A132 WeakPolarHBondContact OE2-CB 3.4Å; E124-Y136 HydrophobicContact CB-CE1 3.87Å
125	A	86.6	Confident	92.2	Very high	9 Å²	9	55.2 Å²	55.2	7%	0.074	31%	0.31	C	S	.	.			trans	-118.9	106	165.1	0	0	0	0	0	107.7	N128 N135 M305	A125-N128 HydrophobicContact CB-CB 4.3Å; A125-N128 VanDerWaalsContact O-CG 3.24Å; A125-N128 PolarHBondContact O-OD1 3.39Å; A125-N135 PolarHBondContact N-ND2 3.21Å; A125-N135 PolarHBondContact O-ND2 2.83Å; A125-M305 HydrophobicContact CB-CB 4.16Å; A125-M305 HydrophobicContact CB-CE 3.6Å
126	P	82	Confident	92	Very high	95 Å²	95	56.8 Å²	56.8	62%	0.617	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	149.6	173.8	-25.4	35.1	0	0	0	111.5	N128	P126-N128 PolarHBondContact O-N 3.2Å
127	D	84	Confident	91.9	Very high	148 Å²	148	59.4 Å²	59.4	79%	0.791	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.8	19.3	172	-48.8	-46.3	0	0	0	116.4	H308	D127-H308 PolarHBondContact O-NE2 3.19Å
128	N	89.1	Confident	91.7	Very high	15 Å²	15	61.6 Å²	61.6	8%	0.08	34%	0.337	C	S	.	.	S	Bend	trans	-98.5	-2.5	178.1	87.1	-18.1	0	0	0	114.3	A125 P126 Y130 N135 M305 P325	A125-N128 HydrophobicContact CB-CB 4.3Å; A125-N128 VanDerWaalsContact O-CG 3.24Å; A125-N128 PolarHBondContact O-OD1 3.39Å; P126-N128 PolarHBondContact O-N 3.2Å; N128-Y130 WeakPolarHBondContact OD1-CB 3.37Å; N128-Y130 PolarHBondContact OD1-N 2.56Å; N128-N135 PolarHBondContact ND2-OD1 2.92Å; N128-N135 PolarHBondContact OD1-ND2 2.83Å; N128-M305 WeakPolarHBondContact CB-O 3.4Å; N128-M305 PolarHBondContact ND2-O 2.93Å; N128-P325 HydrophobicContact CB-CG 3.75Å; N128-P325 WeakPolarHBondContact O-CG 3.08Å
129	G	90.2	Very high	91.7	Very high	78 Å²	78	61 Å²	61	80%	0.804	33%	0.334	S	S	*	.	S	Bend	trans	89.8	1.7	179.1	0	0	0	0	0	115.5
130	Y	92.7	Very high	91.8	Very high	85 Å²	85	56.5 Å²	56.5	33%	0.333	31%	0.305	S	S	.	.	S	Bend	trans	-112.4	151.4	175.8	-66.2	-78.3	0	0	0	111.7	N128 Q134 N135 R138 P325	N128-Y130 WeakPolarHBondContact OD1-CB 3.37Å; N128-Y130 PolarHBondContact OD1-N 2.56Å; Y130-Q134 HydrophobicContact CD1-CB 4.09Å; Y130-Q134 HydrophobicContact CG-CB 4.46Å; Y130-N135 WeakPolarHBondContact CB-OD1 3.3Å; Y130-R138 VanDerWaalsContact CZ-CZ 3.46Å; Y130-R138 PolarHBondContact OH-NH1 3.42Å; Y130-P325 HydrophobicContact CD2-CB 4.25Å; Y130-P325 HydrophobicContact CD2-CG 4.13Å; Y130-P325 HydrophobicContact CE2-CB 3.84Å; Y130-P325 HydrophobicContact CE2-CG 3.89Å
131	T	94	Very high	92.1	Very high	81 Å²	81	52.9 Å²	52.9	50%	0.497	30%	0.298	S	S	.	.			trans	-68.8	161.2	168.5	71.2	0	0	0	0	110.5	E133 Q134 N135	T131-E133 VanDerWaalsContact C-N 3.3Å; T131-E133 PolarHBondContact O-N 2.99Å; T131-Q134 WeakPolarHBondContact O-CB 3.47Å; T131-Q134 PolarHBondContact O-N 3.25Å; T131-Q134 VanDerWaalsContact O-N 3.14Å; T131-Q134 VanDerWaalsContact OG1-CG 3.32Å; T131-Q134 WeakPolarHBondContact OG1-CG 3.49Å; T131-Q134 PolarHBondContact OG1-N 3.27Å; T131-Q134 PolarHBondContact OG1-OE1 3.25Å; T131-N135 PolarHBondContact O-N 3.03Å; T131-N135 PolarHBondContact O-ND2 2.94Å
132	A	92.6	Very high	92.1	Very high	32 Å²	32	53.1 Å²	53.1	26%	0.264	30%	0.3	S	S	.	.	H	α-helix	trans	-53	-47.2	175.4	0	0	0	0	0	112.3	E124 Q134 N135 Y136	E124-A132 HydrophobicContact CB-CB 3.99Å; E124-A132 WeakPolarHBondContact OE2-CB 3.4Å; A132-Q134 PolarHBondContact O-N 3.46Å; A132-N135 WeakPolarHBondContact O-CB 3.47Å; A132-N135 PolarHBondContact O-N 3.01Å; A132-Y136 HydrophobicContact CB-CE1 4.24Å; A132-Y136 HydrophobicContact CB-CE2 4.21Å; A132-Y136 WeakPolarHBondContact O-CD1 3.17Å; A132-Y136 WeakPolarHBondContact O-CD2 3.49Å; A132-Y136 WeakPolarHBondContact O-CE1 3.39Å; A132-Y136 PolarHBondContact O-N 3.18Å
133	E	93.2	Very high	92.4	Very high	112 Å²	112	53.1 Å²	53.1	52%	0.523	30%	0.3	S	S	.	.	H	α-helix	trans	-62.1	-41	177.9	-171	-170.6	161.8	0	0	112.8	T131 N135 Y136 K137	T131-E133 VanDerWaalsContact C-N 3.3Å; T131-E133 PolarHBondContact O-N 2.99Å; E133-N135 VanDerWaalsContact C-N 3.33Å; E133-Y136 PolarHBondContact O-N 3.25Å; E133-K137 HydrophobicContact CG-CD 4.32Å; E133-K137 WeakPolarHBondContact O-CG 3.2Å; E133-K137 PolarHBondContact O-N 3.44Å; E133-K137 WeakPolarHBondContact OE1-CE 3.21Å; E133-K137 IonicContact OE1-NZ 2.65Å; E133-K137 PolarHBondContact OE1-NZ 3.44Å
134	Q	94.3	Very high	92.7	Very high	73 Å²	73	52.6 Å²	52.6	34%	0.341	30%	0.295	S	S	.	.	H	α-helix	trans	-63.3	-41.9	176	-74.6	172.5	-30.5	0	0	111	Y130 T131 A132 K137 R138	Y130-Q134 HydrophobicContact CD1-CB 4.09Å; Y130-Q134 HydrophobicContact CG-CB 4.46Å; T131-Q134 WeakPolarHBondContact O-CB 3.47Å; T131-Q134 PolarHBondContact O-N 3.25Å; T131-Q134 VanDerWaalsContact O-N 3.14Å; T131-Q134 VanDerWaalsContact OG1-CG 3.32Å; T131-Q134 WeakPolarHBondContact OG1-CG 3.49Å; T131-Q134 PolarHBondContact OG1-N 3.27Å; T131-Q134 PolarHBondContact OG1-OE1 3.25Å; A132-Q134 PolarHBondContact O-N 3.46Å; Q134-K137 PolarHBondContact O-N 3.49Å; Q134-R138 VanDerWaalsContact O-CB 3.24Å; Q134-R138 WeakPolarHBondContact O-CB 3.42Å; Q134-R138 WeakPolarHBondContact O-CD 3.48Å; Q134-R138 WeakPolarHBondContact O-CG 3.31Å; Q134-R138 PolarHBondContact O-N 3.01Å
135	N	93.8	Very high	93.1	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.011	29%	0.289	C	S	.	.	H	α-helix	trans	-61.3	-49	176.1	-82.4	-34.7	0	0	0	112	A125 N128 Y130 T131 A132 E133 K137 R138 D139 M305	A125-N135 PolarHBondContact N-ND2 3.21Å; A125-N135 PolarHBondContact O-ND2 2.83Å; N128-N135 PolarHBondContact ND2-OD1 2.92Å; N128-N135 PolarHBondContact OD1-ND2 2.83Å; Y130-N135 WeakPolarHBondContact CB-OD1 3.3Å; T131-N135 PolarHBondContact O-N 3.03Å; T131-N135 PolarHBondContact O-ND2 2.94Å; A132-N135 WeakPolarHBondContact O-CB 3.47Å; A132-N135 PolarHBondContact O-N 3.01Å; E133-N135 VanDerWaalsContact C-N 3.33Å; N135-K137 VanDerWaalsContact C-N 3.29Å; N135-K137 PolarHBondContact O-N 2.97Å; N135-R138 PolarHBondContact O-N 3.42Å; N135-D139 PolarHBondContact O-N 3.3Å; N135-M305 HydrophobicContact CB-CE 3.98Å
136	Y	93.8	Very high	93.5	Very high	32 Å²	32	49.5 Å²	49.5	13%	0.125	29%	0.286	C	S	.	.	H	α-helix	trans	-54.4	-47.1	178.6	-51.3	-25.5	0	0	0	111.8	K77 G122 T123 E124 A132 E133 L140	K77-Y136 WeakPolarHBondContact CE-OH 3.37Å; K77-Y136 HydrophobicContact CG-CD1 4.46Å; K77-Y136 HydrophobicContact CG-CE1 4.06Å; K77-Y136 HydrophobicContact CG-CE2 4.25Å; G122-Y136 WeakPolarHBondContact O-CD1 3.47Å; T123-Y136 VanDerWaalsContact C-CE1 3.4Å; T123-Y136 WeakPolarHBondContact O-CD1 3.42Å; E124-Y136 HydrophobicContact CB-CE1 3.87Å; A132-Y136 HydrophobicContact CB-CE1 4.24Å; A132-Y136 HydrophobicContact CB-CE2 4.21Å; A132-Y136 WeakPolarHBondContact O-CD1 3.17Å; A132-Y136 WeakPolarHBondContact O-CD2 3.49Å; A132-Y136 WeakPolarHBondContact O-CE1 3.39Å; A132-Y136 PolarHBondContact O-N 3.18Å; E133-Y136 PolarHBondContact O-N 3.25Å; Y136-L140 WeakPolarHBondContact O-CB 3.43Å; Y136-L140 PolarHBondContact O-N 2.85Å
137	K	94.7	Very high	94.2	Very high	100 Å²	100	45 Å²	45	44%	0.435	26%	0.257	S	S	.	.	H	α-helix	trans	-72	-38.5	-177.8	-71.6	175.1	174.4	174.5	0	112.2	W81 E133 Q134 N135 A141	W81-K137 HydrophobicContact CH2-CG 3.81Å; W81-K137 HydrophobicContact CZ2-CG 4.49Å; W81-K137 HydrophobicContact CZ3-CG 4.03Å; E133-K137 HydrophobicContact CG-CD 4.32Å; E133-K137 WeakPolarHBondContact O-CG 3.2Å; E133-K137 PolarHBondContact O-N 3.44Å; E133-K137 WeakPolarHBondContact OE1-CE 3.21Å; E133-K137 IonicContact OE1-NZ 2.65Å; E133-K137 PolarHBondContact OE1-NZ 3.44Å; Q134-K137 PolarHBondContact O-N 3.49Å; N135-K137 VanDerWaalsContact C-N 3.29Å; N135-K137 PolarHBondContact O-N 2.97Å; K137-A141 WeakPolarHBondContact O-CB 3.48Å; K137-A141 PolarHBondContact O-N 3.35Å
138	R	95.3	Very high	94.8	Very high	54 Å²	54	38.6 Å²	38.6	20%	0.204	22%	0.223	C	C	.	.	H	α-helix	trans	-66.7	-45.9	180	-77.6	170.6	59.9	78.6	-1.2	112.1	Y130 Q134 N135 A141 A142 P325	Y130-R138 VanDerWaalsContact CZ-CZ 3.46Å; Y130-R138 PolarHBondContact OH-NH1 3.42Å; Q134-R138 VanDerWaalsContact O-CB 3.24Å; Q134-R138 WeakPolarHBondContact O-CB 3.42Å; Q134-R138 WeakPolarHBondContact O-CD 3.48Å; Q134-R138 WeakPolarHBondContact O-CG 3.31Å; Q134-R138 PolarHBondContact O-N 3.01Å; N135-R138 PolarHBondContact O-N 3.42Å; R138-A141 PolarHBondContact O-N 3.25Å; R138-A142 WeakPolarHBondContact O-CB 3.48Å; R138-A142 PolarHBondContact O-N 3.37Å; R138-P325 PolarHBondContact NH2-O 2.83Å
139	D	95.8	Very high	95.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-63.7	-46.4	179.9	-165.2	32.5	0	0	0	111	F121 G122 N135 A141 A142 F143 Y290 H301 M305	F121-D139 WeakPolarHBondContact CD2-OD2 3.33Å; G122-D139 PolarHBondContact N-OD2 3.08Å; N135-D139 PolarHBondContact O-N 3.3Å; D139-A141 PolarHBondContact O-N 3.36Å; D139-A142 PolarHBondContact O-N 2.99Å; D139-F143 PolarHBondContact O-N 3.37Å; D139-Y290 PolarHBondContact O-OH 3.02Å; D139-Y290 WeakPolarHBondContact OD1-CE1 3.47Å; D139-Y290 PolarHBondContact OD1-OH 3.44Å; D139-H301 IonicContact OD1-CE1 3.29Å; D139-H301 IonicContact OD1-ND1 2.7Å; D139-H301 PolarHBondContact OD1-ND1 3.19Å; D139-H301 IonicContact OD2-CE1 2.93Å; D139-H301 PolarHBondContact OD2-CE1 2.76Å; D139-H301 VanDerWaalsContact OD2-CE1 3.24Å; D139-H301 IonicContact OD2-ND1 2.73Å; D139-H301 PolarHBondContact OD2-ND1 3.5Å; D139-H301 VanDerWaalsContact OD2-ND1 3.09Å; D139-M305 HydrophobicContact CB-SD 3.7Å
140	L	97.1	Very high	95.3	Very high	6 Å²	6	41.9 Å²	41.9	3%	0.031	22%	0.217	C	C	.	.	H	α-helix	trans	-63.3	-43.2	177.3	-170.7	63.4	0	0	0	112.3	L78 W81 F82 F111 F121 Y136 A142 F143 F144	L78-L140 HydrophobicContact CD1-CD1 4.47Å; L78-L140 HydrophobicContact CD2-CD1 4.44Å; L78-L140 HydrophobicContact CD2-CD2 4.23Å; W81-L140 HydrophobicContact CH2-CD2 3.64Å; W81-L140 HydrophobicContact CZ2-CD2 4.01Å; F82-L140 HydrophobicContact CD1-CD2 4.29Å; F82-L140 HydrophobicContact CD2-CD2 3.62Å; F82-L140 HydrophobicContact CE1-CD2 4.43Å; F82-L140 HydrophobicContact CE2-CD2 3.81Å; F82-L140 HydrophobicContact CG-CD2 3.89Å; F82-L140 HydrophobicContact CZ-CD2 4.21Å; F111-L140 HydrophobicContact CE1-CD1 3.88Å; F111-L140 HydrophobicContact CE2-CD1 4.48Å; F111-L140 HydrophobicContact CZ-CD1 3.41Å; F111-L140 VanDerWaalsContact CZ-CD1 3.41Å; F121-L140 HydrophobicContact CE1-CD1 4.43Å; F121-L140 HydrophobicContact CZ-CD1 4.13Å; Y136-L140 WeakPolarHBondContact O-CB 3.43Å; Y136-L140 PolarHBondContact O-N 2.85Å; L140-A142 VanDerWaalsContact C-N 3.35Å; L140-A142 PolarHBondContact O-N 2.81Å; L140-F143 PolarHBondContact O-N 3.05Å; L140-F144 HydrophobicContact CD1-CD2 4.24Å; L140-F144 HydrophobicContact CD1-CE1 3.99Å; L140-F144 HydrophobicContact CD1-CE2 3.6Å; L140-F144 HydrophobicContact CD1-CZ 3.44Å; L140-F144 VanDerWaalsContact CD1-CZ 3.44Å; L140-F144 HydrophobicContact CD2-CE2 3.74Å; L140-F144 HydrophobicContact CD2-CZ 4.21Å; L140-F144 HydrophobicContact CG-CD2 3.86Å; L140-F144 HydrophobicContact CG-CE2 3.38Å; L140-F144 HydrophobicContact CG-CZ 3.81Å; L140-F144 WeakPolarHBondContact O-CB 3.16Å; L140-F144 WeakPolarHBondContact O-CD2 3.33Å; L140-F144 VanDerWaalsContact O-CG 3.29Å; L140-F144 WeakPolarHBondContact O-CG 3.24Å; L140-F144 PolarHBondContact O-N 3.3Å
141	A	96.9	Very high	95.4	Very high	58 Å²	58	37.9 Å²	37.9	48%	0.479	20%	0.202	S	C	.	.	H	α-helix	trans	-64.4	-38	177	0	0	0	0	0	112.3	K137 R138 D139 F144 A145	K137-A141 WeakPolarHBondContact O-CB 3.48Å; K137-A141 PolarHBondContact O-N 3.35Å; R138-A141 PolarHBondContact O-N 3.25Å; D139-A141 PolarHBondContact O-N 3.36Å; A141-F144 PolarHBondContact O-N 3.17Å; A141-A145 WeakPolarHBondContact O-CB 3.47Å; A141-A145 PolarHBondContact O-N 3.49Å
142	A	96.9	Very high	95.6	Very high	5 Å²	5	34.1 Å²	34.1	4%	0.041	18%	0.179	C	C	.	.	H	α-helix	trans	-65.4	-46.2	176.4	0	0	0	0	0	111.7	R138 D139 L140 F144 A145 H146 Y290 V304 F327	R138-A142 WeakPolarHBondContact O-CB 3.48Å; R138-A142 PolarHBondContact O-N 3.37Å; D139-A142 PolarHBondContact O-N 2.99Å; L140-A142 VanDerWaalsContact C-N 3.35Å; L140-A142 PolarHBondContact O-N 2.81Å; A142-F144 PolarHBondContact O-N 3.39Å; A142-A145 PolarHBondContact O-N 3.05Å; A142-H146 PolarHBondContact O-CD2 3.15Å; A142-H146 PolarHBondContact O-N 2.99Å; A142-Y290 HydrophobicContact CB-CE2 4.49Å; A142-V304 HydrophobicContact CB-CB 4.41Å; A142-V304 HydrophobicContact CB-CG1 3.95Å; A142-V304 HydrophobicContact CB-CG2 3.63Å; A142-F327 HydrophobicContact CB-CD2 3.68Å; A142-F327 HydrophobicContact CB-CE2 3.9Å
143	F	97.7	Very high	95.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-58.1	-46.4	174	174.7	-97.6	0	0	0	111.9	F111 F121 D139 L140 H146 A147 F176 I242 I287 Y290	F111-F143 HydrophobicContact CE2-CD1 4.13Å; F111-F143 AromaticContact CE2-CE1 3.7Å; F111-F143 HydrophobicContact CE2-CE1 3.7Å; F121-F143 HydrophobicContact CE2-CB 3.99Å; F121-F143 HydrophobicContact CE2-CD2 4.49Å; F121-F143 HydrophobicContact CE2-CG 4.2Å; F121-F143 HydrophobicContact CZ-CB 3.97Å; F121-F143 HydrophobicContact CZ-CD1 4.05Å; F121-F143 HydrophobicContact CZ-CD2 4.34Å; F121-F143 AromaticContact CZ-CG 3.85Å; F121-F143 HydrophobicContact CZ-CG 3.85Å; D139-F143 PolarHBondContact O-N 3.37Å; L140-F143 PolarHBondContact O-N 3.05Å; F143-H146 PolarHBondContact O-N 3.37Å; F143-A147 PolarHBondContact O-N 3.35Å; F143-F176 AromaticContact CE1-CZ 3.97Å; F143-F176 HydrophobicContact CE1-CZ 3.97Å; F143-I242 HydrophobicContact CD2-CD1 3.79Å; F143-I242 HydrophobicContact CE2-CD1 3.61Å; F143-I242 HydrophobicContact CE2-CG1 4.31Å; F143-I287 HydrophobicContact CE2-CG1 3.88Å; F143-I287 HydrophobicContact CZ-CG1 3.88Å; F143-Y290 HydrophobicContact CB-CD1 4.42Å; F143-Y290 HydrophobicContact CB-CE1 4.29Å; F143-Y290 HydrophobicContact CB-CE2 4.4Å; F143-Y290 HydrophobicContact CD2-CD1 4.09Å; F143-Y290 HydrophobicContact CD2-CD2 4.28Å; F143-Y290 AromaticContact CD2-CG 3.83Å; F143-Y290 HydrophobicContact CD2-CG 3.83Å
144	F	97.8	Very high	95.9	Very high	16 Å²	16	32.2 Å²	32.2	7%	0.07	17%	0.167	C	C	.	.	H	α-helix	trans	-67.7	-34.7	178.6	-68.1	-27.8	0	0	0	113.4	F82 L90 F91 F111 L140 A141 A142 H146 A147 V148 F176	F82-F144 HydrophobicContact CE1-CZ 4.08Å; F82-F144 HydrophobicContact CE2-CE2 4.12Å; F82-F144 HydrophobicContact CE2-CZ 4.46Å; F82-F144 AromaticContact CZ-CE2 3.76Å; F82-F144 HydrophobicContact CZ-CE2 3.76Å; F82-F144 AromaticContact CZ-CZ 3.69Å; F82-F144 HydrophobicContact CZ-CZ 3.69Å; L90-F144 HydrophobicContact CD1-CD2 4.21Å; L90-F144 HydrophobicContact CD1-CE2 3.9Å; F91-F144 HydrophobicContact CE1-CG 4.47Å; F91-F144 AromaticContact CE2-CD1 3.98Å; F91-F144 HydrophobicContact CE2-CD1 3.98Å; F91-F144 HydrophobicContact CE2-CD2 4.1Å; F91-F144 AromaticContact CE2-CE1 3.76Å; F91-F144 HydrophobicContact CE2-CE1 3.76Å; F91-F144 AromaticContact CE2-CE2 3.86Å; F91-F144 HydrophobicContact CE2-CE2 3.86Å; F91-F144 HydrophobicContact CE2-CG 4.17Å; F91-F144 AromaticContact CE2-CZ 3.7Å; F91-F144 HydrophobicContact CE2-CZ 3.7Å; F91-F144 HydrophobicContact CZ-CB 3.97Å; F91-F144 AromaticContact CZ-CD1 3.58Å; F91-F144 HydrophobicContact CZ-CD1 3.58Å; F91-F144 AromaticContact CZ-CD2 3.66Å; F91-F144 HydrophobicContact CZ-CD2 3.66Å; F91-F144 AromaticContact CZ-CE1 3.88Å; F91-F144 HydrophobicContact CZ-CE1 3.88Å; F91-F144 AromaticContact CZ-CE2 3.91Å; F91-F144 HydrophobicContact CZ-CE2 3.91Å; F91-F144 AromaticContact CZ-CG 3.49Å; F91-F144 HydrophobicContact CZ-CG 3.49Å; F91-F144 VanDerWaalsContact CZ-CG 3.49Å; F91-F144 HydrophobicContact CZ-CZ 4.04Å; F111-F144 HydrophobicContact CD2-CE1 4.36Å; F111-F144 HydrophobicContact CE1-CZ 4.2Å; F111-F144 AromaticContact CE2-CE1 3.72Å; F111-F144 HydrophobicContact CE2-CE1 3.72Å; F111-F144 HydrophobicContact CE2-CZ 4.18Å; F111-F144 AromaticContact CZ-CE1 3.83Å; F111-F144 HydrophobicContact CZ-CE1 3.83Å; F111-F144 AromaticContact CZ-CZ 3.85Å; F111-F144 HydrophobicContact CZ-CZ 3.85Å; L140-F144 HydrophobicContact CD1-CD2 4.24Å; L140-F144 HydrophobicContact CD1-CE1 3.99Å; L140-F144 HydrophobicContact CD1-CE2 3.6Å; L140-F144 HydrophobicContact CD1-CZ 3.44Å; L140-F144 VanDerWaalsContact CD1-CZ 3.44Å; L140-F144 HydrophobicContact CD2-CE2 3.74Å; L140-F144 HydrophobicContact CD2-CZ 4.21Å; L140-F144 HydrophobicContact CG-CD2 3.86Å; L140-F144 HydrophobicContact CG-CE2 3.38Å; L140-F144 HydrophobicContact CG-CZ 3.81Å; L140-F144 WeakPolarHBondContact O-CB 3.16Å; L140-F144 WeakPolarHBondContact O-CD2 3.33Å; L140-F144 VanDerWaalsContact O-CG 3.29Å; L140-F144 WeakPolarHBondContact O-CG 3.24Å; L140-F144 PolarHBondContact O-N 3.3Å; A141-F144 PolarHBondContact O-N 3.17Å; A142-F144 PolarHBondContact O-N 3.39Å; F144-H146 VanDerWaalsContact C-N 3.28Å; F144-H146 PolarHBondContact O-N 3.08Å; F144-A147 PolarHBondContact O-N 3.46Å; F144-V148 VanDerWaalsContact O-CG2 3.29Å; F144-V148 WeakPolarHBondContact O-CG2 3.44Å; F144-V148 PolarHBondContact O-N 3.11Å; F144-F176 AromaticContact CD1-CE2 3.7Å; F144-F176 HydrophobicContact CD1-CE2 3.7Å; F144-F176 AromaticContact CD1-CZ 3.9Å; F144-F176 HydrophobicContact CD1-CZ 3.9Å; F144-F176 AromaticContact CE1-CE2 3.8Å; F144-F176 HydrophobicContact CE1-CE2 3.8Å; F144-F176 AromaticContact CE1-CZ 3.87Å; F144-F176 HydrophobicContact CE1-CZ 3.87Å
145	A	96.8	Very high	96	Very high	41 Å²	41	30.6 Å²	30.6	34%	0.339	16%	0.16	S	C	.	.	H	α-helix	trans	-60	-41.4	174.2	0	0	0	0	0	111.3	A141 A142 V148 Q149 F327	A141-A145 WeakPolarHBondContact O-CB 3.47Å; A141-A145 PolarHBondContact O-N 3.49Å; A142-A145 PolarHBondContact O-N 3.05Å; A145-V148 PolarHBondContact O-N 3.2Å; A145-Q149 PolarHBondContact O-N 2.9Å; A145-F327 HydrophobicContact CB-CE2 4.05Å; A145-F327 HydrophobicContact CB-CZ 3.68Å
146	H	95.9	Very high	96	Very high	6 Å²	6	33.6 Å²	33.6	3%	0.028	19%	0.186	C	C	.	.	H	α-helix	trans	-64.5	-46.1	172.4	-72.7	-57.2	0	0	0	111.8	A142 F143 F144 V148 Q149 E150 I242 M300 F327 T330 I334	A142-H146 PolarHBondContact O-CD2 3.15Å; A142-H146 PolarHBondContact O-N 2.99Å; F143-H146 PolarHBondContact O-N 3.37Å; F144-H146 VanDerWaalsContact C-N 3.28Å; F144-H146 PolarHBondContact O-N 3.08Å; H146-V148 VanDerWaalsContact C-N 3.27Å; H146-V148 PolarHBondContact O-N 3.19Å; H146-Q149 PolarHBondContact O-N 2.88Å; H146-Q149 VanDerWaalsContact O-N 3.15Å; H146-E150 WeakPolarHBondContact O-CB 3.27Å; H146-E150 VanDerWaalsContact O-CG 3.29Å; H146-E150 WeakPolarHBondContact O-CG 3.42Å; H146-E150 PolarHBondContact O-N 3.25Å; H146-I242 HydrophobicContact CB-CD1 4.1Å; H146-I242 HydrophobicContact CB-CG1 4.29Å; H146-M300 PolarHBondContact NE2-SD 3.1Å; H146-F327 AromaticContact NE2-CE2 3.62Å; H146-T330 PolarHBondContact CE1-OG1 2.92Å; H146-T330 WeakPolarHBondContact NE2-CB 3.21Å; H146-T330 PolarHBondContact NE2-OG1 2.04Å; H146-I334 HydrophobicContact CB-CD1 3.75Å
147	A	96.4	Very high	96.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-59.4	-37	176.7	0	0	0	0	0	113.2	F143 F144 T151 G152 F176 A241	F143-A147 PolarHBondContact O-N 3.35Å; F144-A147 PolarHBondContact O-N 3.46Å; A147-T151 CarbonylContact O-C 3.52Å; A147-T151 PolarHBondContact O-N 3.11Å; A147-T151 PolarHBondContact O-OG1 3.46Å; A147-G152 PolarHBondContact O-N 3.48Å; A147-F176 HydrophobicContact CB-CE1 4.25Å; A147-F176 HydrophobicContact CB-CE2 4.14Å; A147-F176 HydrophobicContact CB-CZ 4Å; A147-A241 HydrophobicContact CB-CB 4.1Å
148	V	96.5	Very high	96.2	Very high	14 Å²	14	29 Å²	29	9%	0.085	17%	0.171	C	C	.	.	H	α-helix	trans	-64.8	-48.4	174	170	0	0	0	0	110.8	F144 A145 H146 G152 N154 F171 Y172	F144-V148 VanDerWaalsContact O-CG2 3.29Å; F144-V148 WeakPolarHBondContact O-CG2 3.44Å; F144-V148 PolarHBondContact O-N 3.11Å; A145-V148 PolarHBondContact O-N 3.2Å; H146-V148 VanDerWaalsContact C-N 3.27Å; H146-V148 PolarHBondContact O-N 3.19Å; V148-G152 WeakPolarHBondContact O-CA 3.16Å; V148-G152 PolarHBondContact O-N 3.27Å; V148-N154 PolarHBondContact O-OD1 3.15Å; V148-F171 HydrophobicContact CG1-CD1 4.28Å; V148-F171 HydrophobicContact CG1-CE1 3.97Å; V148-Y172 WeakPolarHBondContact CG2-O 3.35Å
149	Q	94.2	Very high	96.3	Very high	113 Å²	113	30.6 Å²	30.6	53%	0.528	18%	0.177	S	C	.	.	H	α-helix	trans	-61.6	-50	179.3	178.3	65.7	17.5	0	0	111.6	A145 H146 N154	A145-Q149 PolarHBondContact O-N 2.9Å; H146-Q149 PolarHBondContact O-N 2.88Å; H146-Q149 VanDerWaalsContact O-N 3.15Å; Q149-N154 PolarHBondContact O-ND2 2.93Å
150	E	94.3	Very high	96.3	Very high	49 Å²	49	37.6 Å²	37.6	23%	0.229	22%	0.215	C	C	.	.	H	α-helix	trans	-74.6	-41.4	-172	-66.8	-51.8	125.3	0	0	113.3	H146 Q243 I334 N335	H146-E150 WeakPolarHBondContact O-CB 3.27Å; H146-E150 VanDerWaalsContact O-CG 3.29Å; H146-E150 WeakPolarHBondContact O-CG 3.42Å; H146-E150 PolarHBondContact O-N 3.25Å; E150-Q243 HydrophobicContact CB-CG 4.28Å; E150-I334 HydrophobicContact CG-CD1 3.51Å; E150-I334 HydrophobicContact CG-CG1 4.32Å; E150-N335 PolarHBondContact OE1-OD1 3.36Å
151	T	96	Very high	96.1	Very high	1 Å²	1	44 Å²	44	1%	0.006	24%	0.242	C	C	.	.	H	α-helix	trans	-131.9	15.4	-171.1	59	0	0	0	0	114.1	A147 F177 N178 G240 A241 Q243	A147-T151 CarbonylContact O-C 3.52Å; A147-T151 PolarHBondContact O-N 3.11Å; A147-T151 PolarHBondContact O-OG1 3.46Å; T151-F177 CarbonylContact O-C 3.56Å; T151-F177 WeakPolarHBondContact O-CA 3.33Å; T151-F177 VanDerWaalsContact O-CB 3.29Å; T151-F177 WeakPolarHBondContact O-CB 3.45Å; T151-F177 PolarHBondContact O-N 3.17Å; T151-N178 WeakPolarHBondContact CB-O 3.44Å; T151-N178 PolarHBondContact O-N 2.96Å; T151-G240 WeakPolarHBondContact CG2-O 3.38Å; T151-A241 WeakPolarHBondContact CG2-O 3.45Å; T151-A241 PolarHBondContact OG1-O 3.46Å; T151-A241 VanDerWaalsContact OG1-O 3.08Å; T151-Q243 HydrophobicContact CG2-CG 3.94Å
152	G	97.1	Very high	95.9	Very high	2 Å²	2	43.5 Å²	43.5	2%	0.021	23%	0.232	C	C	.	.	S	Bend	trans	-67.3	163.5	175.7	0	0	0	0	0	113.5	A147 V148 N154 G174 N178	A147-G152 PolarHBondContact O-N 3.48Å; V148-G152 WeakPolarHBondContact O-CA 3.16Å; V148-G152 PolarHBondContact O-N 3.27Å; G152-N154 PolarHBondContact O-N 3.09Å; G152-N154 PolarHBondContact O-ND2 3.29Å; G152-G174 CarbonylContact C-O 3.48Å; G152-G174 WeakPolarHBondContact CA-O 3.29Å; G152-N178 PolarHBondContact O-ND2 3.39Å; G152-N178 VanDerWaalsContact O-ND2 3.08Å
153	E	97.4	Very high	95.7	Very high	42 Å²	42	46 Å²	46	20%	0.196	25%	0.249	C	C	.	.			trans	-58.2	-32.9	164.4	-174.2	-174.7	-139.5	0	0	110.5	K93 D155 G174 F177	K93-E153 WeakPolarHBondContact CD-OE2 3.39Å; K93-E153 WeakPolarHBondContact CE-OE2 3.43Å; K93-E153 IonicContact NZ-OE1 2.63Å; K93-E153 PolarHBondContact NZ-OE1 2.98Å; K93-E153 IonicContact NZ-OE2 3.1Å; K93-E153 PolarHBondContact NZ-OE2 2.87Å; E153-D155 HydrophobicContact CG-CB 4.17Å; E153-D155 PolarHBondContact O-N 3.36Å; E153-G174 PolarHBondContact N-O 3.32Å; E153-F177 HydrophobicContact CB-CB 4.28Å; E153-F177 HydrophobicContact CB-CD2 3.73Å; E153-F177 HydrophobicContact CB-CE2 4.17Å; E153-F177 HydrophobicContact CB-CG 3.96Å; E153-F177 HydrophobicContact CG-CD2 4.16Å; E153-F177 HydrophobicContact CG-CE2 4.07Å; E153-F177 HydrophobicContact CG-CZ 4.44Å; E153-F177 VanDerWaalsContact N-CB 3.33Å
154	N	95.3	Very high	95.5	Very high	63 Å²	63	51.7 Å²	51.7	34%	0.337	28%	0.279	S	S	.	.			trans	52.5	38.4	177.5	-69.2	-38.8	0	0	0	113	V148 Q149 G152 A156 F171	V148-N154 PolarHBondContact O-OD1 3.15Å; Q149-N154 PolarHBondContact O-ND2 2.93Å; G152-N154 PolarHBondContact O-N 3.09Å; G152-N154 PolarHBondContact O-ND2 3.29Å; N154-A156 PolarHBondContact O-N 3.43Å; N154-F171 HydrophobicContact CB-CE2 4.46Å; N154-F171 HydrophobicContact CB-CZ 4.34Å; N154-F171 WeakPolarHBondContact OD1-CZ 3.29Å
155	D	95.9	Very high	95.2	Very high	38 Å²	38	58 Å²	58	20%	0.203	31%	0.309	C	S	.	.			trans	-70.4	87.1	-179.8	-176.5	9.8	0	0	0	111.6	E153 S157 L158	E153-D155 HydrophobicContact CG-CB 4.17Å; E153-D155 PolarHBondContact O-N 3.36Å; D155-S157 PolarHBondContact O-N 2.84Å; D155-S157 WeakPolarHBondContact OD1-CA 3.49Å; D155-S157 WeakPolarHBondContact OD1-CB 3.34Å; D155-S157 PolarHBondContact OD1-N 2.84Å; D155-S157 PolarHBondContact OD1-OG 3.25Å; D155-S157 PolarHBondContact OD2-OG 3.32Å; D155-L158 HydrophobicContact CB-CD1 4.15Å; D155-L158 HydrophobicContact CB-CG 4.1Å; D155-L158 WeakPolarHBondContact O-CB 3.11Å; D155-L158 WeakPolarHBondContact O-CD1 3.38Å; D155-L158 VanDerWaalsContact O-CG 3.27Å; D155-L158 WeakPolarHBondContact O-CG 3.35Å; D155-L158 PolarHBondContact O-N 2.89Å
156	A	95.3	Very high	94.9	Very high	66 Å²	66	61 Å²	61	55%	0.545	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-21.6	175.5	0	0	0	0	0	112.8	N154 L158 Y159	N154-A156 PolarHBondContact O-N 3.43Å; A156-L158 PolarHBondContact O-N 2.89Å; A156-L158 VanDerWaalsContact O-N 3.13Å; A156-Y159 PolarHBondContact O-N 3.28Å; A156-Y159 VanDerWaalsContact O-N 3.13Å
157	S	96.1	Very high	94.9	Very high	34 Å²	34	60.7 Å²	60.7	24%	0.238	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-14.4	-179.6	83.2	0	0	0	0	113	D155 Y159 D160 K161	D155-S157 PolarHBondContact O-N 2.84Å; D155-S157 WeakPolarHBondContact OD1-CA 3.49Å; D155-S157 WeakPolarHBondContact OD1-CB 3.34Å; D155-S157 PolarHBondContact OD1-N 2.84Å; D155-S157 PolarHBondContact OD1-OG 3.25Å; D155-S157 PolarHBondContact OD2-OG 3.32Å; S157-Y159 PolarHBondContact O-N 3.04Å; S157-D160 PolarHBondContact O-N 2.88Å; S157-K161 WeakPolarHBondContact O-CD 3.12Å; S157-K161 WeakPolarHBondContact O-CG 3.42Å; S157-K161 PolarHBondContact O-N 3.38Å; S157-K161 PolarHBondContact OG-NZ 3.4Å
158	L	95.8	Very high	94.8	Very high	1 Å²	1	62.2 Å²	62.2	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-56.5	-36.8	171.3	-66.7	172.1	0	0	0	111.9	P50 D155 A156 D160 K161 L162 A167 C170 F171	P50-L158 HydrophobicContact CG-CD2 3.88Å; D155-L158 HydrophobicContact CB-CD1 4.15Å; D155-L158 HydrophobicContact CB-CG 4.1Å; D155-L158 WeakPolarHBondContact O-CB 3.11Å; D155-L158 WeakPolarHBondContact O-CD1 3.38Å; D155-L158 VanDerWaalsContact O-CG 3.27Å; D155-L158 WeakPolarHBondContact O-CG 3.35Å; D155-L158 PolarHBondContact O-N 2.89Å; A156-L158 PolarHBondContact O-N 2.89Å; A156-L158 VanDerWaalsContact O-N 3.13Å; L158-D160 VanDerWaalsContact C-N 3.29Å; L158-D160 PolarHBondContact O-N 2.84Å; L158-K161 PolarHBondContact O-N 3.06Å; L158-L162 HydrophobicContact CD2-CD1 4.06Å; L158-L162 WeakPolarHBondContact O-CB 3.14Å; L158-L162 PolarHBondContact O-N 3.26Å; L158-A167 HydrophobicContact CB-CB 4.09Å; L158-C170 HydrophobicContact CD1-CB 3.78Å; L158-C170 HydrophobicContact CD2-CB 4.14Å; L158-F171 HydrophobicContact CD1-CB 4.2Å
159	Y	96.4	Very high	94.6	Very high	88 Å²	88	63.9 Å²	63.9	35%	0.345	33%	0.334	S	S	.	.	H	α-helix	trans	-75.4	-16.5	-178.7	-68.9	-87.6	0	0	0	113.5	A156 S157 A167 S168 F171	A156-Y159 PolarHBondContact O-N 3.28Å; A156-Y159 VanDerWaalsContact O-N 3.13Å; S157-Y159 PolarHBondContact O-N 3.04Å; Y159-A167 HydrophobicContact CD1-CB 3.47Å; Y159-A167 VanDerWaalsContact CD1-CB 3.47Å; Y159-A167 HydrophobicContact CD2-CB 4.1Å; Y159-A167 HydrophobicContact CE1-CB 3.62Å; Y159-A167 HydrophobicContact CE2-CB 4.24Å; Y159-A167 HydrophobicContact CG-CB 3.72Å; Y159-S168 WeakPolarHBondContact OH-CA 3.35Å; Y159-S168 PolarHBondContact OH-OG 3.07Å; Y159-F171 HydrophobicContact CE2-CB 4.3Å; Y159-F171 HydrophobicContact CE2-CD2 4Å; Y159-F171 HydrophobicContact CE2-CG 4.29Å
160	D	96.2	Very high	94.6	Very high	146 Å²	146	58.6 Å²	58.6	78%	0.781	31%	0.309	S	S	*	.	H	α-helix	trans	-84.5	-23.5	172.3	-61.1	-38.2	0	0	0	112.1	S157 L158	S157-D160 PolarHBondContact O-N 2.88Å; L158-D160 VanDerWaalsContact C-N 3.29Å; L158-D160 PolarHBondContact O-N 2.84Å
161	K	93	Very high	94.7	Very high	141 Å²	141	58.5 Å²	58.5	61%	0.613	31%	0.308	S	S	*	.	H	α-helix	trans	-105.9	-24.7	-170	-64.5	166.9	-174.1	162.3	0	113.5	S157 L158	S157-K161 WeakPolarHBondContact O-CD 3.12Å; S157-K161 WeakPolarHBondContact O-CG 3.42Å; S157-K161 PolarHBondContact O-N 3.38Å; S157-K161 PolarHBondContact OG-NZ 3.4Å; L158-K161 PolarHBondContact O-N 3.06Å
162	L	92.9	Very high	94.7	Very high	48 Å²	48	62.2 Å²	62.2	25%	0.251	32%	0.322	S	S	.	.	S	Bend	trans	-126.7	163.8	-172	-55.5	175.6	0	0	0	110.7	L158 Q166 A167	L158-L162 HydrophobicContact CD2-CD1 4.06Å; L158-L162 WeakPolarHBondContact O-CB 3.14Å; L158-L162 PolarHBondContact O-N 3.26Å; L162-Q166 HydrophobicContact CB-CB 3.93Å; L162-Q166 HydrophobicContact CD1-CB 4.35Å; L162-A167 HydrophobicContact CB-CB 4.18Å
163	S	93.1	Very high	94.6	Very high	58 Å²	58	62.9 Å²	62.9	41%	0.406	32%	0.324	S	S	.	.			trans	-61.9	153.9	166.9	66.8	0	0	0	0	110.8	E165 Q166 A167	S163-E165 PolarHBondContact O-N 3.31Å; S163-E165 VanDerWaalsContact O-N 3.09Å; S163-Q166 PolarHBondContact O-N 3.08Å; S163-Q166 VanDerWaalsContact O-N 3.08Å; S163-Q166 WeakPolarHBondContact OG-CB 3.46Å; S163-Q166 WeakPolarHBondContact OG-CG 3.43Å; S163-Q166 PolarHBondContact OG-N 3.4Å; S163-Q166 PolarHBondContact OG-OE1 2.63Å; S163-A167 VanDerWaalsContact O-CB 3.31Å; S163-A167 WeakPolarHBondContact O-CB 3.09Å; S163-A167 PolarHBondContact O-N 3.43Å
164	N	93.3	Very high	94.6	Very high	119 Å²	119	60.9 Å²	60.9	64%	0.636	32%	0.315	S	S	*	.	H	α-helix	trans	-52.9	-36.2	179.7	-75.5	-13.6	0	0	0	113.5	S168	N164-S168 VanDerWaalsContact O-CB 3.27Å; N164-S168 WeakPolarHBondContact O-CB 3.27Å; N164-S168 PolarHBondContact O-N 3.26Å; N164-S168 PolarHBondContact O-OG 2.93Å
165	E	90.9	Very high	94.7	Very high	147 Å²	147	57.9 Å²	57.9	69%	0.687	30%	0.299	S	S	*	.	H	α-helix	trans	-69.1	-48.8	177.8	-176.1	178.3	173.7	0	0	111.6	S163 S168 N169	S163-E165 PolarHBondContact O-N 3.31Å; S163-E165 VanDerWaalsContact O-N 3.09Å; E165-S168 PolarHBondContact O-N 3.38Å; E165-N169 WeakPolarHBondContact O-CB 3.42Å; E165-N169 PolarHBondContact O-N 3.3Å; E165-N169 PolarHBondContact O-ND2 3.43Å; E165-N169 VanDerWaalsContact O-ND2 3.14Å
166	Q	91.8	Very high	94.8	Very high	104 Å²	104	56 Å²	56	49%	0.486	29%	0.289	S	S	.	.	H	α-helix	trans	-63.9	-44.2	176.6	-72.1	168.7	-53.3	0	0	111.7	L162 S163 S168 N169 C170	L162-Q166 HydrophobicContact CB-CB 3.93Å; L162-Q166 HydrophobicContact CD1-CB 4.35Å; S163-Q166 PolarHBondContact O-N 3.08Å; S163-Q166 VanDerWaalsContact O-N 3.08Å; S163-Q166 WeakPolarHBondContact OG-CB 3.46Å; S163-Q166 WeakPolarHBondContact OG-CG 3.43Å; S163-Q166 PolarHBondContact OG-N 3.4Å; S163-Q166 PolarHBondContact OG-OE1 2.63Å; Q166-S168 PolarHBondContact O-N 2.93Å; Q166-N169 PolarHBondContact O-N 3.13Å; Q166-C170 PolarHBondContact O-N 3.13Å; Q166-C170 PolarHBondContact O-SG 3.33Å; Q166-C170 VanDerWaalsContact O-SG 3.4Å
167	A	94.7	Very high	94.9	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-58.4	-48.3	176.6	0	0	0	0	0	111	L158 Y159 L162 S163 N169 C170 F171	L158-A167 HydrophobicContact CB-CB 4.09Å; Y159-A167 HydrophobicContact CD1-CB 3.47Å; Y159-A167 VanDerWaalsContact CD1-CB 3.47Å; Y159-A167 HydrophobicContact CD2-CB 4.1Å; Y159-A167 HydrophobicContact CE1-CB 3.62Å; Y159-A167 HydrophobicContact CE2-CB 4.24Å; Y159-A167 HydrophobicContact CG-CB 3.72Å; L162-A167 HydrophobicContact CB-CB 4.18Å; S163-A167 VanDerWaalsContact O-CB 3.31Å; S163-A167 WeakPolarHBondContact O-CB 3.09Å; S163-A167 PolarHBondContact O-N 3.43Å; A167-N169 VanDerWaalsContact C-N 3.34Å; A167-N169 PolarHBondContact O-N 3.18Å; A167-C170 CarbonylContact O-C 3.44Å; A167-C170 PolarHBondContact O-N 3.33Å; A167-C170 VanDerWaalsContact O-N 3.12Å; A167-F171 VanDerWaalsContact O-CB 3.28Å; A167-F171 WeakPolarHBondContact O-CB 3.13Å; A167-F171 PolarHBondContact O-N 3.49Å
168	S	94.1	Very high	95	Very high	33 Å²	33	52.4 Å²	52.4	23%	0.231	26%	0.258	C	S	.	.	H	α-helix	trans	-63.5	-39.8	177.5	-56.2	0	0	0	0	112	Y159 N164 E165 Q166 C170 F171 Y172	Y159-S168 WeakPolarHBondContact OH-CA 3.35Å; Y159-S168 PolarHBondContact OH-OG 3.07Å; N164-S168 VanDerWaalsContact O-CB 3.27Å; N164-S168 WeakPolarHBondContact O-CB 3.27Å; N164-S168 PolarHBondContact O-N 3.26Å; N164-S168 PolarHBondContact O-OG 2.93Å; E165-S168 PolarHBondContact O-N 3.38Å; Q166-S168 PolarHBondContact O-N 2.93Å; S168-C170 VanDerWaalsContact C-N 3.26Å; S168-C170 PolarHBondContact O-N 3.22Å; S168-F171 PolarHBondContact O-N 3.31Å; S168-Y172 WeakPolarHBondContact O-CD1 3.45Å; S168-Y172 PolarHBondContact O-N 2.86Å
169	N	92.4	Very high	95.1	Very high	49 Å²	49	53.1 Å²	53.1	26%	0.262	26%	0.26	S	S	.	.	H	α-helix	trans	-62.6	-31.5	174.4	-83.7	-44.3	0	0	0	113.1	V47 E165 Q166 A167 Y172 R173	V47-N169 HydrophobicContact CG1-CB 3.84Å; V47-N169 HydrophobicContact CG2-CB 4.39Å; E165-N169 WeakPolarHBondContact O-CB 3.42Å; E165-N169 PolarHBondContact O-N 3.3Å; E165-N169 PolarHBondContact O-ND2 3.43Å; E165-N169 VanDerWaalsContact O-ND2 3.14Å; Q166-N169 PolarHBondContact O-N 3.13Å; A167-N169 VanDerWaalsContact C-N 3.34Å; A167-N169 PolarHBondContact O-N 3.18Å; N169-Y172 HydrophobicContact CB-CE1 4.46Å; N169-Y172 WeakPolarHBondContact O-CE1 3.41Å; N169-R173 PolarHBondContact O-NH1 2.89Å
170	C	95	Very high	95.2	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.007	25%	0.245	C	C	.	.	H	α-helix	trans	-86.4	-31.2	176.4	-67.5	0	0	0	0	113.5	C49 L158 Q166 A167 S168 R173	C49-C170 WeakPolarHBondContact CA-SG 3.49Å; C49-C170 HydrophobicContact CB-CB 3.77Å; C49-C170 WeakPolarHBondContact CB-SG 3.33Å; C49-C170 WeakPolarHBondContact SG-CA 3.38Å; C49-C170 WeakPolarHBondContact SG-CB 3.34Å; C49-C170 CovalentContact SG-SG 2.05Å; C49-C170 PolarHBondContact SG-SG 3.13Å; L158-C170 HydrophobicContact CD1-CB 3.78Å; L158-C170 HydrophobicContact CD2-CB 4.14Å; Q166-C170 PolarHBondContact O-N 3.13Å; Q166-C170 PolarHBondContact O-SG 3.33Å; Q166-C170 VanDerWaalsContact O-SG 3.4Å; A167-C170 CarbonylContact O-C 3.44Å; A167-C170 PolarHBondContact O-N 3.33Å; A167-C170 VanDerWaalsContact O-N 3.12Å; S168-C170 VanDerWaalsContact C-N 3.26Å; S168-C170 PolarHBondContact O-N 3.22Å; C170-R173 WeakPolarHBondContact O-CB 3.46Å; C170-R173 PolarHBondContact O-N 3.2Å
171	F	96.5	Very high	95.2	Very high	48 Å²	48	44.8 Å²	44.8	21%	0.211	22%	0.22	C	C	.	.	H	α-helix	trans	-63.5	-50.3	-176.8	-176	-88.4	0	0	0	111.7	V148 N154 L158 Y159 A167 S168 R173 G174	V148-F171 HydrophobicContact CG1-CD1 4.28Å; V148-F171 HydrophobicContact CG1-CE1 3.97Å; N154-F171 HydrophobicContact CB-CE2 4.46Å; N154-F171 HydrophobicContact CB-CZ 4.34Å; N154-F171 WeakPolarHBondContact OD1-CZ 3.29Å; L158-F171 HydrophobicContact CD1-CB 4.2Å; Y159-F171 HydrophobicContact CE2-CB 4.3Å; Y159-F171 HydrophobicContact CE2-CD2 4Å; Y159-F171 HydrophobicContact CE2-CG 4.29Å; A167-F171 VanDerWaalsContact O-CB 3.28Å; A167-F171 WeakPolarHBondContact O-CB 3.13Å; A167-F171 PolarHBondContact O-N 3.49Å; S168-F171 PolarHBondContact O-N 3.31Å; F171-R173 PolarHBondContact O-N 3.46Å; F171-G174 PolarHBondContact O-N 2.69Å
172	Y	95.2	Very high	95.3	Very high	78 Å²	78	40.8 Å²	40.8	31%	0.306	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-65.8	-23.7	-179.9	75.3	-110.6	0	0	0	112.8	L90 V148 S168 N169 G174 G175	L90-Y172 HydrophobicContact CD2-CD2 4.47Å; L90-Y172 HydrophobicContact CD2-CE2 3.85Å; V148-Y172 WeakPolarHBondContact CG2-O 3.35Å; S168-Y172 WeakPolarHBondContact O-CD1 3.45Å; S168-Y172 PolarHBondContact O-N 2.86Å; N169-Y172 HydrophobicContact CB-CE1 4.46Å; N169-Y172 WeakPolarHBondContact O-CE1 3.41Å; Y172-G174 PolarHBondContact O-N 3.41Å; Y172-G175 PolarHBondContact O-N 2.9Å; Y172-G175 VanDerWaalsContact O-N 3.11Å
173	R	96	Very high	95.4	Very high	16 Å²	16	39.5 Å²	39.5	6%	0.06	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-68.7	-9.4	175	-74.3	-178.6	167	82	4	113.8	D89 L90 P92 N169 C170 F171 G175	D89-R173 PolarHBondContact O-NE 2.93Å; D89-R173 VanDerWaalsContact O-NE 3.09Å; D89-R173 IonicContact OD1-NH2 3.87Å; D89-R173 IonicContact OD2-NH2 3.31Å; D89-R173 PolarHBondContact OD2-NH2 2.74Å; L90-R173 VanDerWaalsContact O-CA 3.3Å; L90-R173 WeakPolarHBondContact O-CA 3.34Å; P92-R173 HydrophobicContact CG-CB 3.97Å; P92-R173 HydrophobicContact CG-CG 4.31Å; N169-R173 PolarHBondContact O-NH1 2.89Å; C170-R173 WeakPolarHBondContact O-CB 3.46Å; C170-R173 PolarHBondContact O-N 3.2Å; F171-R173 PolarHBondContact O-N 3.46Å; R173-G175 VanDerWaalsContact C-N 3.3Å
174	G	96.6	Very high	95.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-78	-2.6	169.3	0	0	0	0	0	114.6	G152 E153 F171 Y172 F177	G152-G174 CarbonylContact C-O 3.48Å; G152-G174 WeakPolarHBondContact CA-O 3.29Å; E153-G174 PolarHBondContact N-O 3.32Å; F171-G174 PolarHBondContact O-N 2.69Å; Y172-G174 PolarHBondContact O-N 3.41Å; G174-F177 WeakPolarHBondContact O-CB 3.34Å
175	G	97.2	Very high	95.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	158.2	179.8	0	0	0	0	0	114.4	Y172 R173 F177	Y172-G175 PolarHBondContact O-N 2.9Å; Y172-G175 VanDerWaalsContact O-N 3.11Å; R173-G175 VanDerWaalsContact C-N 3.3Å; G175-F177 PolarHBondContact O-N 3.41Å
176	F	97.9	Very high	95.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	57	30	-176.2	-64.1	-84.5	0	0	0	113.8	F87 F91 A94 N95 Y106 F143 F144 A147 A241 I283	F87-F176 HydrophobicContact CE2-CE2 4.39Å; F91-F176 HydrophobicContact CB-CD2 4.27Å; F91-F176 AromaticContact CD1-CD2 3.5Å; F91-F176 HydrophobicContact CD1-CD2 3.5Å; F91-F176 HydrophobicContact CD1-CE2 4.04Å; F91-F176 AromaticContact CD2-CD2 3.74Å; F91-F176 HydrophobicContact CD2-CD2 3.74Å; F91-F176 AromaticContact CD2-CE2 3.82Å; F91-F176 HydrophobicContact CD2-CE2 3.82Å; F91-F176 AromaticContact CE1-CD2 3.69Å; F91-F176 HydrophobicContact CE1-CD2 3.69Å; F91-F176 AromaticContact CE1-CE2 3.77Å; F91-F176 HydrophobicContact CE1-CE2 3.77Å; F91-F176 AromaticContact CE2-CD2 3.92Å; F91-F176 HydrophobicContact CE2-CD2 3.92Å; F91-F176 AromaticContact CE2-CE2 3.55Å; F91-F176 HydrophobicContact CE2-CE2 3.55Å; F91-F176 AromaticContact CG-CD2 3.53Å; F91-F176 HydrophobicContact CG-CD2 3.53Å; F91-F176 HydrophobicContact CG-CE2 4.06Å; F91-F176 AromaticContact CZ-CD2 3.91Å; F91-F176 HydrophobicContact CZ-CD2 3.91Å; F91-F176 AromaticContact CZ-CE2 3.54Å; F91-F176 HydrophobicContact CZ-CE2 3.54Å; A94-F176 CarbonylContact C-O 3.3Å; A94-F176 WeakPolarHBondContact CA-O 3.48Å; A94-F176 HydrophobicContact CB-CB 3.91Å; N95-F176 PolarHBondContact N-O 2.66Å; Y106-F176 AromaticContact CD1-CD1 3.82Å; Y106-F176 HydrophobicContact CD1-CD1 3.82Å; Y106-F176 HydrophobicContact CD2-CB 3.61Å; Y106-F176 HydrophobicContact CD2-CD1 4.14Å; Y106-F176 HydrophobicContact CD2-CG 4.37Å; Y106-F176 WeakPolarHBondContact CD2-O 3.23Å; Y106-F176 HydrophobicContact CE1-CD1 4.12Å; Y106-F176 HydrophobicContact CE2-CB 4.06Å; Y106-F176 HydrophobicContact CE2-CD1 4.36Å; Y106-F176 VanDerWaalsContact CE2-O 3.27Å; Y106-F176 WeakPolarHBondContact CE2-O 3.17Å; Y106-F176 HydrophobicContact CG-CB 3.94Å; Y106-F176 AromaticContact CG-CD1 3.8Å; Y106-F176 HydrophobicContact CG-CD1 3.8Å; Y106-F176 HydrophobicContact CG-CG 4.28Å; F143-F176 AromaticContact CE1-CZ 3.97Å; F143-F176 HydrophobicContact CE1-CZ 3.97Å; F144-F176 AromaticContact CD1-CE2 3.7Å; F144-F176 HydrophobicContact CD1-CE2 3.7Å; F144-F176 AromaticContact CD1-CZ 3.9Å; F144-F176 HydrophobicContact CD1-CZ 3.9Å; F144-F176 AromaticContact CE1-CE2 3.8Å; F144-F176 HydrophobicContact CE1-CE2 3.8Å; F144-F176 AromaticContact CE1-CZ 3.87Å; F144-F176 HydrophobicContact CE1-CZ 3.87Å; A147-F176 HydrophobicContact CB-CE1 4.25Å; A147-F176 HydrophobicContact CB-CE2 4.14Å; A147-F176 HydrophobicContact CB-CZ 4Å; F176-A241 HydrophobicContact CD1-CB 3.4Å; F176-A241 VanDerWaalsContact CD1-CB 3.4Å; F176-A241 HydrophobicContact CE1-CB 3.19Å; F176-A241 HydrophobicContact CZ-CB 4.23Å; F176-I283 HydrophobicContact CD1-CD1 4.05Å; F176-I283 HydrophobicContact CE1-CD1 3.51Å; F176-I283 HydrophobicContact CZ-CD1 4.43Å
177	F	98.4	Very high	96.2	Very high	6 Å²	6	31.3 Å²	31.3	3%	0.026	18%	0.18	C	C	.	.			trans	-76.4	-54.8	-178.7	-168.5	-88.8	0	0	0	111.3	A52 F55 K93 L96 G97 T151 E153 G174 G175 P184	A52-F177 HydrophobicContact CB-CE2 4.11Å; F55-F177 HydrophobicContact CD2-CE1 4.16Å; F55-F177 AromaticContact CD2-CZ 3.96Å; F55-F177 HydrophobicContact CD2-CZ 3.96Å; F55-F177 HydrophobicContact CE2-CE1 4.13Å; F55-F177 AromaticContact CE2-CZ 3.88Å; F55-F177 HydrophobicContact CE2-CZ 3.88Å; K93-F177 HydrophobicContact CB-CD2 4.12Å; K93-F177 WeakPolarHBondContact O-CD2 3.46Å; L96-F177 HydrophobicContact CD2-CD1 4.49Å; L96-F177 HydrophobicContact CD2-CE1 4.44Å; L96-F177 PolarHBondContact N-O 2.82Å; G97-F177 VanDerWaalsContact N-CE2 3.28Å; T151-F177 CarbonylContact O-C 3.56Å; T151-F177 WeakPolarHBondContact O-CA 3.33Å; T151-F177 VanDerWaalsContact O-CB 3.29Å; T151-F177 WeakPolarHBondContact O-CB 3.45Å; T151-F177 PolarHBondContact O-N 3.17Å; E153-F177 HydrophobicContact CB-CB 4.28Å; E153-F177 HydrophobicContact CB-CD2 3.73Å; E153-F177 HydrophobicContact CB-CE2 4.17Å; E153-F177 HydrophobicContact CB-CG 3.96Å; E153-F177 HydrophobicContact CG-CD2 4.16Å; E153-F177 HydrophobicContact CG-CE2 4.07Å; E153-F177 HydrophobicContact CG-CZ 4.44Å; E153-F177 VanDerWaalsContact N-CB 3.33Å; G174-F177 WeakPolarHBondContact O-CB 3.34Å; G175-F177 PolarHBondContact O-N 3.41Å; F177-P184 HydrophobicContact CE1-CB 4.23Å; F177-P184 HydrophobicContact CE1-CG 4.47Å
178	N	97.9	Very high	96.3	Very high	18 Å²	18	33 Å²	33	10%	0.096	19%	0.188	C	C	.	.			trans	-90.6	143.9	-172.8	-68.2	-60.2	0	0	0	112.5	Y106 T151 G152 G183 P184	Y106-N178 WeakPolarHBondContact CE2-O 3.27Å; Y106-N178 PolarHBondContact OH-O 3.29Å; T151-N178 WeakPolarHBondContact CB-O 3.44Å; T151-N178 PolarHBondContact O-N 2.96Å; G152-N178 PolarHBondContact O-ND2 3.39Å; G152-N178 VanDerWaalsContact O-ND2 3.08Å; N178-G183 WeakPolarHBondContact OD1-CA 3.49Å; N178-P184 WeakPolarHBondContact OD1-CA 3.43Å; N178-P184 VanDerWaalsContact OD1-N 3.17Å
179	W	97.6	Very high	96.5	Very high	16 Å²	16	31.6 Å²	31.6	6%	0.061	18%	0.178	C	C	.	.	S	Bend	trans	-95.2	-37.1	173.5	-65.6	-27.7	0	0	0	112.9	N95 L96 P105 Y106 P198 R239 G240 M274	N95-W179 HydrophobicContact CB-CZ2 3.93Å; N95-W179 PolarHBondContact OD1-NE1 2.98Å; N95-W179 VanDerWaalsContact OD1-NE1 3.15Å; L96-W179 HydrophobicContact CD1-CD2 4.43Å; L96-W179 HydrophobicContact CD1-CE3 3.91Å; L96-W179 HydrophobicContact CD1-CH2 3.93Å; L96-W179 HydrophobicContact CD1-CZ2 4.47Å; L96-W179 HydrophobicContact CD1-CZ3 3.61Å; L96-W179 HydrophobicContact CG-CD2 4.45Å; L96-W179 HydrophobicContact CG-CE3 4.41Å; L96-W179 HydrophobicContact CG-CH2 4.43Å; L96-W179 HydrophobicContact CG-CZ2 4.5Å; L96-W179 HydrophobicContact CG-CZ3 4.38Å; P105-W179 HydrophobicContact CG-CD2 4.35Å; P105-W179 HydrophobicContact CG-CG 4.45Å; P105-W179 HydrophobicContact CG-CZ2 4.32Å; Y106-W179 AromaticContact CD2-CD1 3.95Å; Y106-W179 AromaticContact CD2-NE1 3.92Å; Y106-W179 AromaticContact CE2-CD1 3.4Å; Y106-W179 AromaticContact CE2-NE1 3.85Å; Y106-W179 AromaticContact CZ-CD1 3.78Å; W179-P198 HydrophobicContact CD2-CG 4.2Å; W179-P198 HydrophobicContact CE3-CG 3.93Å; W179-P198 HydrophobicContact CH2-CG 3.8Å; W179-P198 HydrophobicContact CZ2-CG 4.05Å; W179-P198 HydrophobicContact CZ3-CG 3.74Å; W179-R239 CarbonylContact O-C 3.54Å; W179-R239 WeakPolarHBondContact O-CA 3.2Å; W179-G240 PolarHBondContact O-N 3.41Å; W179-M274 HydrophobicContact CB-CE 3.71Å; W179-M274 HydrophobicContact CG-CE 3.79Å
180	F	98.2	Very high	96.7	Very high	5 Å²	5	29.3 Å²	29.3	2%	0.022	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-123.4	147.9	-169.8	-61.9	-56.4	0	0	0	110	G182 G183 L189 P198 F237 R239 M274	F180-G182 PolarHBondContact O-N 2.88Å; F180-G183 PolarHBondContact O-N 3.07Å; F180-L189 HydrophobicContact CB-CD1 4.49Å; F180-L189 HydrophobicContact CD2-CD1 3.78Å; F180-L189 HydrophobicContact CE2-CD1 4.2Å; F180-L189 HydrophobicContact CG-CD1 4.17Å; F180-P198 WeakPolarHBondContact CZ-O 3.42Å; F180-F237 HydrophobicContact CB-CE2 3.83Å; F180-F237 AromaticContact CD1-CE2 3.52Å; F180-F237 HydrophobicContact CD1-CE2 3.52Å; F180-F237 AromaticContact CD1-CZ 3.86Å; F180-F237 HydrophobicContact CD1-CZ 3.86Å; F180-F237 HydrophobicContact CE1-CE2 4.39Å; F180-F237 HydrophobicContact CE1-CZ 4.31Å; F180-F237 AromaticContact CG-CE2 3.96Å; F180-F237 HydrophobicContact CG-CE2 3.96Å; F180-F237 HydrophobicContact CG-CZ 4.44Å; F180-R239 HydrophobicContact CD1-CB 4.21Å; F180-R239 HydrophobicContact CD1-CG 3.9Å; F180-R239 HydrophobicContact CE1-CG 4.2Å; F180-M274 HydrophobicContact CD1-CG 4.46Å; F180-M274 HydrophobicContact CE1-CB 4.36Å; F180-M274 HydrophobicContact CE1-CG 3.75Å; F180-M274 HydrophobicContact CZ-CB 4.5Å; F180-M274 HydrophobicContact CZ-CG 4.31Å
181	E	97.2	Very high	96.7	Very high	54 Å²	54	34.9 Å²	34.9	25%	0.252	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	135	177.5	-164.6	-174.8	153.4	0	0	111.4	G183 S186 F188 Y210 F237 G238 Q243	E181-G183 PolarHBondContact O-N 3.18Å; E181-S186 VanDerWaalsContact O-CB 3.26Å; E181-S186 WeakPolarHBondContact O-CB 3.46Å; E181-S186 PolarHBondContact O-OG 3.4Å; E181-F188 HydrophobicContact CB-CD2 4.02Å; E181-F188 HydrophobicContact CB-CE2 3.76Å; E181-F188 VanDerWaalsContact CD-CE2 3.46Å; E181-F188 HydrophobicContact CG-CD2 4.45Å; E181-F188 HydrophobicContact CG-CE2 3.7Å; E181-Y210 VanDerWaalsContact CD-OH 3.27Å; E181-Y210 PolarHBondContact OE1-OH 3.17Å; E181-Y210 WeakPolarHBondContact OE2-CE1 3.36Å; E181-Y210 PolarHBondContact OE2-OH 3.3Å; E181-F237 HydrophobicContact CB-CD2 4.34Å; E181-G238 PolarHBondContact N-O 3.24Å; E181-G238 PolarHBondContact OE2-N 3.12Å; E181-Q243 VanDerWaalsContact CB-OE1 3.26Å
182	G	94.7	Very high	96.7	Very high	56 Å²	56	37.4 Å²	37.4	58%	0.577	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.7	10.9	-174.9	0	0	0	0	0	114.6	F180 T185	F180-G182 PolarHBondContact O-N 2.88Å; G182-T185 CarbonylContact O-C 3.22Å
183	G	94.7	Very high	96.7	Very high	22 Å²	22	34.7 Å²	34.7	23%	0.227	22%	0.221	C	C	.	.			trans	-54.9	166.4	175.2	0	0	0	0	0	114.1	N178 F180 E181	N178-G183 WeakPolarHBondContact OD1-CA 3.49Å; F180-G183 PolarHBondContact O-N 3.07Å; E181-G183 PolarHBondContact O-N 3.18Å
184	P	95.7	Very high	96.6	Very high	32 Å²	32	35 Å²	35	21%	0.208	23%	0.225	C	C	.	.	S	Bend	cis	-78.5	-13.6	6.7	29.3	-34.3	0	0	0	114.2	F55 L96 F177 N178 Y196	F55-P184 HydrophobicContact CB-CB 4.23Å; F55-P184 HydrophobicContact CD1-CB 3.85Å; F55-P184 HydrophobicContact CD1-CG 3.71Å; F55-P184 HydrophobicContact CD2-CB 3.77Å; F55-P184 HydrophobicContact CD2-CG 3.86Å; F55-P184 HydrophobicContact CE1-CB 4.12Å; F55-P184 HydrophobicContact CE1-CG 3.44Å; F55-P184 VanDerWaalsContact CE1-CG 3.44Å; F55-P184 HydrophobicContact CE2-CB 4.06Å; F55-P184 HydrophobicContact CE2-CG 3.61Å; F55-P184 HydrophobicContact CG-CB 3.67Å; F55-P184 HydrophobicContact CG-CG 3.92Å; F55-P184 HydrophobicContact CZ-CB 4.22Å; F55-P184 HydrophobicContact CZ-CG 3.39Å; L96-P184 HydrophobicContact CD2-CB 3.84Å; F177-P184 HydrophobicContact CE1-CB 4.23Å; F177-P184 HydrophobicContact CE1-CG 4.47Å; N178-P184 WeakPolarHBondContact OD1-CA 3.43Å; N178-P184 VanDerWaalsContact OD1-N 3.17Å; P184-Y196 WeakPolarHBondContact O-CE1 3.29Å
185	T	96.8	Very high	96.6	Very high	69 Å²	69	35.2 Å²	35.2	42%	0.423	23%	0.226	S	C	.	.	S	Bend	trans	-117.4	104.3	173.9	-61.7	0	0	0	0	109.2	G182 P194 Y196	G182-T185 CarbonylContact O-C 3.22Å; T185-P194 HydrophobicContact CG2-CB 3.95Å; T185-Y196 WeakPolarHBondContact OG1-CE1 3.36Å; T185-Y196 PolarHBondContact OG1-OH 2.94Å
186	S	96.6	Very high	96.6	Very high	5 Å²	5	38.8 Å²	38.8	4%	0.035	24%	0.24	C	C	.	.			trans	-88	131.3	-173.5	-176.4	0	0	0	0	112.6	E181 F188 L189 P194	E181-S186 VanDerWaalsContact O-CB 3.26Å; E181-S186 WeakPolarHBondContact O-CB 3.46Å; E181-S186 PolarHBondContact O-OG 3.4Å; S186-F188 PolarHBondContact O-N 3.41Å; S186-F188 WeakPolarHBondContact OG-CB 3.35Å; S186-F188 WeakPolarHBondContact OG-CD2 3.33Å; S186-F188 PolarHBondContact OG-N 3.45Å; S186-L189 PolarHBondContact O-N 3.05Å; S186-P194 PolarHBondContact N-O 3.26Å
187	L	96	Very high	96.5	Very high	150 Å²	150	41 Å²	41	79%	0.785	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-13.5	170.8	-65.9	177.9	0	0	0	113.2	L189 N205	L187-L189 VanDerWaalsContact C-N 3.27Å; L187-N205 PolarHBondContact O-ND2 3.08Å
188	F	97.9	Very high	96.3	Very high	34 Å²	34	41.8 Å²	41.8	15%	0.149	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-16.4	175.2	-55.9	-42.9	0	0	0	112.6	E181 S186 C204 N205 Q207 Y210 F237	E181-F188 HydrophobicContact CB-CD2 4.02Å; E181-F188 HydrophobicContact CB-CE2 3.76Å; E181-F188 VanDerWaalsContact CD-CE2 3.46Å; E181-F188 HydrophobicContact CG-CD2 4.45Å; E181-F188 HydrophobicContact CG-CE2 3.7Å; S186-F188 PolarHBondContact O-N 3.41Å; S186-F188 WeakPolarHBondContact OG-CB 3.35Å; S186-F188 WeakPolarHBondContact OG-CD2 3.33Å; S186-F188 PolarHBondContact OG-N 3.45Å; F188-C204 CarbonylContact O-C 3.41Å; F188-C204 VanDerWaalsContact O-CA 3.24Å; F188-C204 WeakPolarHBondContact O-CA 3.39Å; F188-C204 WeakPolarHBondContact O-CB 3.3Å; F188-N205 PolarHBondContact O-N 3.08Å; F188-Q207 HydrophobicContact CD1-CB 3.7Å; F188-Q207 HydrophobicContact CE1-CB 3.9Å; F188-Y210 HydrophobicContact CE1-CE2 4.34Å; F188-Y210 HydrophobicContact CZ-CE2 4.22Å; F188-Y210 WeakPolarHBondContact CZ-OH 3.26Å; F188-F237 HydrophobicContact CB-CB 4.49Å; F188-F237 HydrophobicContact CB-CD1 4.3Å; F188-F237 HydrophobicContact CB-CD2 4.4Å; F188-F237 HydrophobicContact CB-CG 4.14Å; F188-F237 HydrophobicContact CD2-CB 3.96Å; F188-F237 HydrophobicContact CD2-CD2 4.15Å; F188-F237 HydrophobicContact CD2-CG 4.18Å; F188-F237 HydrophobicContact CG-CB 4.3Å; F188-F237 HydrophobicContact CG-CG 4.42Å
189	L	98.1	Very high	96.2	Very high	4 Å²	4	47 Å²	47	2%	0.021	28%	0.28	C	S	.	.	S	Bend	trans	-101.1	156.2	-177.3	-61.5	179.2	0	0	0	112	F180 S186 L187 S193 G195 D200 N205 F237	F180-L189 HydrophobicContact CB-CD1 4.49Å; F180-L189 HydrophobicContact CD2-CD1 3.78Å; F180-L189 HydrophobicContact CE2-CD1 4.2Å; F180-L189 HydrophobicContact CG-CD1 4.17Å; S186-L189 PolarHBondContact O-N 3.05Å; L187-L189 VanDerWaalsContact C-N 3.27Å; L189-S193 VanDerWaalsContact CB-O 3.32Å; L189-S193 WeakPolarHBondContact CB-O 3.46Å; L189-G195 VanDerWaalsContact CD1-CA 3.44Å; L189-D200 HydrophobicContact CD1-CB 4.38Å; L189-N205 PolarHBondContact O-ND2 3.19Å; L189-F237 HydrophobicContact CD2-CE1 3.96Å; L189-F237 HydrophobicContact CD2-CE2 4.42Å; L189-F237 HydrophobicContact CD2-CZ 3.59Å; L189-F237 HydrophobicContact CG-CZ 4.39Å
190	P	97.5	Very high	96.2	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.006	28%	0.282	C	S	.	.			trans	-54.2	143.6	169.1	-23.6	32.4	0	0	0	111.8	S192 S193 V203 Y231	P190-S192 PolarHBondContact O-N 3.17Å; P190-S192 VanDerWaalsContact O-N 3.1Å; P190-S193 WeakPolarHBondContact CB-OG 3.48Å; P190-S193 WeakPolarHBondContact CG-OG 3.46Å; P190-S193 CarbonylContact O-C 2.93Å; P190-S193 PolarHBondContact O-N 2.94Å; P190-V203 HydrophobicContact CG-CG2 3.77Å; P190-Y231 HydrophobicContact CB-CD1 4.39Å; P190-Y231 HydrophobicContact CB-CE1 3.69Å; P190-Y231 HydrophobicContact CB-CE2 4.16Å; P190-Y231 HydrophobicContact CG-CD1 3.79Å; P190-Y231 HydrophobicContact CG-CD2 4.24Å; P190-Y231 HydrophobicContact CG-CE1 3.6Å; P190-Y231 HydrophobicContact CG-CE2 4.04Å; P190-Y231 HydrophobicContact CG-CG 4.12Å
191	S	95.2	Very high	96.2	Very high	118 Å²	118	46.9 Å²	46.9	83%	0.825	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-22	176.3	59.7	0	0	0	0	113.6
192	S	95.4	Very high	96.2	Very high	102 Å²	102	48.4 Å²	48.4	71%	0.713	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-16.2	175	53	0	0	0	0	114.1	P190	P190-S192 PolarHBondContact O-N 3.17Å; P190-S192 VanDerWaalsContact O-N 3.1Å
193	S	95.7	Very high	96.4	Very high	21 Å²	21	47.1 Å²	47.1	15%	0.147	27%	0.269	C	S	.	.	S	Bend	trans	-140.7	71.2	-178.6	55.2	0	0	0	0	108.4	L189 P190 G195	L189-S193 VanDerWaalsContact CB-O 3.32Å; L189-S193 WeakPolarHBondContact CB-O 3.46Å; P190-S193 WeakPolarHBondContact CB-OG 3.48Å; P190-S193 WeakPolarHBondContact CG-OG 3.46Å; P190-S193 CarbonylContact O-C 2.93Å; P190-S193 PolarHBondContact O-N 2.94Å; S193-G195 PolarHBondContact O-N 3.18Å; S193-G195 VanDerWaalsContact O-N 3.12Å
194	P	94.5	Very high	96.6	Very high	23 Å²	23	46 Å²	46	15%	0.149	26%	0.258	C	S	.	.			trans	-73.3	-2.9	-164.2	28.8	-36.3	0	0	0	115.1	T185 S186 Y196	T185-P194 HydrophobicContact CG2-CB 3.95Å; S186-P194 PolarHBondContact N-O 3.26Å; P194-Y196 HydrophobicContact CB-CE1 4.49Å; P194-Y196 HydrophobicContact CG-CD1 4.14Å; P194-Y196 HydrophobicContact CG-CD2 3.59Å; P194-Y196 HydrophobicContact CG-CE1 4.19Å; P194-Y196 HydrophobicContact CG-CE2 3.66Å; P194-Y196 HydrophobicContact CG-CG 3.84Å
195	G	96.4	Very high	96.7	Very high	3 Å²	3	46.5 Å²	46.5	3%	0.031	26%	0.258	C	S	.	.	S	Bend	trans	109.3	19.7	-175.5	0	0	0	0	0	113.9	L189 S193 D200	L189-G195 VanDerWaalsContact CD1-CA 3.44Å; S193-G195 PolarHBondContact O-N 3.18Å; S193-G195 VanDerWaalsContact O-N 3.12Å; G195-D200 WeakPolarHBondContact CA-OD2 3.14Å; G195-D200 PolarHBondContact N-OD2 3.04Å
196	Y	96.3	Very high	96.7	Very high	75 Å²	75	45.9 Å²	45.9	29%	0.294	26%	0.26	S	S	.	.	S	Bend	trans	-89.3	-7.4	-178.9	-67.7	-9.4	0	0	0	113.3	F55 L96 P184 T185 P194 D200	F55-Y196 HydrophobicContact CB-CD1 3.95Å; F55-Y196 HydrophobicContact CB-CE1 3.82Å; F55-Y196 AromaticContact CD1-CE1 3.95Å; F55-Y196 HydrophobicContact CD1-CE1 3.95Å; F55-Y196 HydrophobicContact CG-CE1 4.32Å; L96-Y196 HydrophobicContact CD1-CD1 4.49Å; P184-Y196 WeakPolarHBondContact O-CE1 3.29Å; T185-Y196 WeakPolarHBondContact OG1-CE1 3.36Å; T185-Y196 PolarHBondContact OG1-OH 2.94Å; P194-Y196 HydrophobicContact CB-CE1 4.49Å; P194-Y196 HydrophobicContact CG-CD1 4.14Å; P194-Y196 HydrophobicContact CG-CD2 3.59Å; P194-Y196 HydrophobicContact CG-CE1 4.19Å; P194-Y196 HydrophobicContact CG-CE2 3.66Å; P194-Y196 HydrophobicContact CG-CG 3.84Å; Y196-D200 PolarHBondContact N-OD2 3.35Å
197	D	95.3	Very high	96.7	Very high	47 Å²	47	51.5 Å²	51.5	25%	0.251	29%	0.286	S	S	.	.	S	Bend	trans	-131.7	140.5	169.3	-173.7	-47.2	0	0	0	108.6	K199 D200	D197-K199 HydrophobicContact CB-CD 4.47Å; D197-K199 HydrophobicContact CB-CG 4.12Å; D197-K199 PolarHBondContact O-N 3.04Å; D197-K199 WeakPolarHBondContact OD1-CB 3.38Å; D197-K199 WeakPolarHBondContact OD1-CD 3.44Å; D197-K199 VanDerWaalsContact OD1-CG 3.25Å; D197-K199 WeakPolarHBondContact OD1-CG 3.38Å; D197-K199 PolarHBondContact OD1-N 3.35Å; D197-K199 WeakPolarHBondContact OD2-CD 3.33Å; D197-K199 VanDerWaalsContact OD2-CE 3.29Å; D197-K199 WeakPolarHBondContact OD2-CE 3.42Å; D197-K199 IonicContact OD2-NZ 2.8Å; D197-K199 PolarHBondContact OD2-NZ 2.82Å; D197-D200 PolarHBondContact N-OD2 2.91Å; D197-D200 WeakPolarHBondContact O-CB 3.29Å; D197-D200 PolarHBondContact O-N 3.22Å
198	P	95.7	Very high	96.8	Very high	22 Å²	22	44.3 Å²	44.3	14%	0.143	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-56.3	-22.5	176.5	-25.9	37	0	0	0	113.8	P105 W179 F180 D200 N271 M274 T275	P105-P198 HydrophobicContact CG-CB 4.11Å; P105-P198 HydrophobicContact CG-CG 3.57Å; W179-P198 HydrophobicContact CD2-CG 4.2Å; W179-P198 HydrophobicContact CE3-CG 3.93Å; W179-P198 HydrophobicContact CH2-CG 3.8Å; W179-P198 HydrophobicContact CZ2-CG 4.05Å; W179-P198 HydrophobicContact CZ3-CG 3.74Å; F180-P198 WeakPolarHBondContact CZ-O 3.42Å; P198-D200 VanDerWaalsContact C-N 3.28Å; P198-D200 PolarHBondContact O-N 3.24Å; P198-N271 PolarHBondContact O-ND2 3.25Å; P198-N271 PolarHBondContact O-OD1 2.75Å; P198-M274 HydrophobicContact CB-CB 4.18Å; P198-T275 HydrophobicContact CB-CG2 4.3Å; P198-T275 WeakPolarHBondContact O-CG2 3.43Å
199	K	95.8	Very high	96.8	Very high	127 Å²	127	45.9 Å²	45.9	55%	0.552	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-72.9	-18.3	174.5	82.5	-162.9	178.1	-140.6	0	113.8	D197 G201 E202 N271 T275	D197-K199 HydrophobicContact CB-CD 4.47Å; D197-K199 HydrophobicContact CB-CG 4.12Å; D197-K199 PolarHBondContact O-N 3.04Å; D197-K199 WeakPolarHBondContact OD1-CB 3.38Å; D197-K199 WeakPolarHBondContact OD1-CD 3.44Å; D197-K199 VanDerWaalsContact OD1-CG 3.25Å; D197-K199 WeakPolarHBondContact OD1-CG 3.38Å; D197-K199 PolarHBondContact OD1-N 3.35Å; D197-K199 WeakPolarHBondContact OD2-CD 3.33Å; D197-K199 VanDerWaalsContact OD2-CE 3.29Å; D197-K199 WeakPolarHBondContact OD2-CE 3.42Å; D197-K199 IonicContact OD2-NZ 2.8Å; D197-K199 PolarHBondContact OD2-NZ 2.82Å; K199-G201 PolarHBondContact O-N 3.32Å; K199-G201 VanDerWaalsContact O-N 3.14Å; K199-E202 WeakPolarHBondContact O-CB 3.16Å; K199-E202 PolarHBondContact O-N 3.09Å; K199-N271 PolarHBondContact O-ND2 3.38Å; K199-T275 HydrophobicContact CB-CG2 4.48Å
200	D	97	Very high	96.7	Very high	20 Å²	20	48.2 Å²	48.2	11%	0.107	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-61.7	-24.4	-177.1	-73	-6.2	0	0	0	112	L189 G195 Y196 D197 P198 E202	L189-D200 HydrophobicContact CD1-CB 4.38Å; G195-D200 WeakPolarHBondContact CA-OD2 3.14Å; G195-D200 PolarHBondContact N-OD2 3.04Å; Y196-D200 PolarHBondContact N-OD2 3.35Å; D197-D200 PolarHBondContact N-OD2 2.91Å; D197-D200 WeakPolarHBondContact O-CB 3.29Å; D197-D200 PolarHBondContact O-N 3.22Å; P198-D200 VanDerWaalsContact C-N 3.28Å; P198-D200 PolarHBondContact O-N 3.24Å; D200-E202 PolarHBondContact O-N 3.27Å
201	G	97.6	Very high	96.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-76.1	6.2	178.1	0	0	0	0	0	116.3	K199 V203 R239 N271	K199-G201 PolarHBondContact O-N 3.32Å; K199-G201 VanDerWaalsContact O-N 3.14Å; G201-V203 VanDerWaalsContact C-N 3.3Å; G201-V203 PolarHBondContact O-N 3.02Å; G201-R239 PolarHBondContact O-NH2 3.4Å; G201-N271 WeakPolarHBondContact CA-OD1 3Å; G201-N271 WeakPolarHBondContact O-CB 3.44Å
202	E	98.1	Very high	96.8	Very high	86 Å²	86	47 Å²	47	40%	0.402	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-65.2	-33.6	-178.7	-173.1	60.2	-157.5	0	0	112.7	K199 D200 N271	K199-E202 WeakPolarHBondContact O-CB 3.16Å; K199-E202 PolarHBondContact O-N 3.09Å; D200-E202 PolarHBondContact O-N 3.27Å; E202-N271 PolarHBondContact N-ND2 3.2Å
203	V	98.4	Very high	96.9	Very high	28 Å²	28	46 Å²	46	17%	0.17	25%	0.246	C	C	.	.	S	Bend	trans	-132.8	158.8	175.5	-62.2	0	0	0	0	110.6	P190 G201 A228 Y231 Y232 K233	P190-V203 HydrophobicContact CG-CG2 3.77Å; G201-V203 VanDerWaalsContact C-N 3.3Å; G201-V203 PolarHBondContact O-N 3.02Å; V203-A228 HydrophobicContact CG1-CB 4.16Å; V203-Y231 HydrophobicContact CB-CG 4.49Å; V203-Y231 HydrophobicContact CG2-CD2 4.22Å; V203-Y231 HydrophobicContact CG2-CG 4.18Å; V203-Y232 VanDerWaalsContact CA-O 3.24Å; V203-Y232 WeakPolarHBondContact CA-O 3.36Å; V203-Y232 WeakPolarHBondContact CB-O 3.4Å; V203-K233 HydrophobicContact CG1-CG 4.49Å
204	C	98.4	Very high	97	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-142.8	159.9	-177.8	60.4	0	0	0	0	112.5	F188 Y232 C235 F237	F188-C204 CarbonylContact O-C 3.41Å; F188-C204 VanDerWaalsContact O-CA 3.24Å; F188-C204 WeakPolarHBondContact O-CA 3.39Å; F188-C204 WeakPolarHBondContact O-CB 3.3Å; C204-Y232 PolarHBondContact N-O 3Å; C204-Y232 VanDerWaalsContact N-O 3.1Å; C204-Y232 PolarHBondContact O-N 3.37Å; C204-C235 HydrophobicContact CB-CB 3.75Å; C204-C235 WeakPolarHBondContact CB-SG 3.15Å; C204-C235 PolarHBondContact N-SG 2.68Å; C204-C235 WeakPolarHBondContact SG-CA 3.1Å; C204-C235 WeakPolarHBondContact SG-CB 2.88Å; C204-C235 CovalentContact SG-SG 2.03Å; C204-C235 PolarHBondContact SG-SG 2.97Å; C204-F237 HydrophobicContact CB-CD1 4.22Å; C204-F237 HydrophobicContact CB-CE1 4.02Å
205	N	98	Very high	97.1	Very high	41 Å²	41	49.6 Å²	49.6	22%	0.219	28%	0.277	C	S	.	.			trans	-66.4	167.5	165.6	-58.8	-35.2	0	0	0	110.4	L187 F188 L189 Q207 G208 Y231	L187-N205 PolarHBondContact O-ND2 3.08Å; F188-N205 PolarHBondContact O-N 3.08Å; L189-N205 PolarHBondContact O-ND2 3.19Å; N205-Q207 PolarHBondContact O-N 3.29Å; N205-Q207 VanDerWaalsContact O-N 3.1Å; N205-G208 PolarHBondContact O-N 3.25Å; N205-Y231 WeakPolarHBondContact OD1-CE1 3.25Å
206	A	97.3	Very high	97.1	Very high	56 Å²	56	55.2 Å²	55.2	46%	0.463	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-54.2	-34.1	-179.8	0	0	0	0	0	113.4	G208 R209 Y232	A206-G208 VanDerWaalsContact C-N 3.3Å; A206-G208 PolarHBondContact O-N 2.93Å; A206-R209 WeakPolarHBondContact O-CG 3.28Å; A206-R209 PolarHBondContact O-N 3.46Å; A206-Y232 HydrophobicContact CB-CE2 3.77Å
207	Q	96.2	Very high	97.2	Very high	123 Å²	123	53.3 Å²	53.3	58%	0.575	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-67.6	-28.6	178.8	-62.4	82.4	-6	0	0	112.5	F188 N205 R209 Y210	F188-Q207 HydrophobicContact CD1-CB 3.7Å; F188-Q207 HydrophobicContact CE1-CB 3.9Å; N205-Q207 PolarHBondContact O-N 3.29Å; N205-Q207 VanDerWaalsContact O-N 3.1Å; Q207-R209 VanDerWaalsContact C-N 3.26Å; Q207-R209 PolarHBondContact O-N 3.37Å; Q207-Y210 VanDerWaalsContact O-CD2 3.29Å; Q207-Y210 WeakPolarHBondContact O-CD2 3.27Å; Q207-Y210 VanDerWaalsContact O-CE2 3.25Å; Q207-Y210 WeakPolarHBondContact O-CE2 3Å
208	G	97.4	Very high	97.3	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-81.2	2.1	179.7	0	0	0	0	0	114.6	N205 A206 Y236 F237	N205-G208 PolarHBondContact O-N 3.25Å; A206-G208 VanDerWaalsContact C-N 3.3Å; A206-G208 PolarHBondContact O-N 2.93Å; G208-Y236 PolarHBondContact O-N 3.43Å; G208-F237 WeakPolarHBondContact O-CD1 3.38Å; G208-F237 PolarHBondContact O-N 2.97Å
209	R	97.8	Very high	97.4	Very high	67 Å²	67	62.1 Å²	62.1	25%	0.253	33%	0.331	S	S	.	.			trans	-66	-45	-175.1	-71.9	-164.5	75	-175.2	0.2	112.9	A206 Q207 C211 Y232 Y236	A206-R209 WeakPolarHBondContact O-CG 3.28Å; A206-R209 PolarHBondContact O-N 3.46Å; Q207-R209 VanDerWaalsContact C-N 3.26Å; Q207-R209 PolarHBondContact O-N 3.37Å; R209-C211 PolarHBondContact O-N 3.19Å; R209-C211 VanDerWaalsContact O-N 3.13Å; R209-Y232 VanDerWaalsContact CD-CD1 3.47Å; R209-Y232 HydrophobicContact CG-CD1 4.18Å; R209-Y232 HydrophobicContact CG-CD2 3.95Å; R209-Y232 HydrophobicContact CG-CG 3.77Å; R209-Y236 WeakPolarHBondContact O-CD2 3.33Å; R209-Y236 PolarHBondContact O-N 2.64Å; R209-Y236 VanDerWaalsContact O-N 3.07Å
210	Y	97.6	Very high	97.5	Very high	53 Å²	53	62.1 Å²	62.1	21%	0.208	33%	0.331	C	S	.	.			trans	44.3	48.3	-179.5	-78.9	-144.1	0	0	0	111.6	E181 F188 Q207 Y236 F237 Y246 N247	E181-Y210 VanDerWaalsContact CD-OH 3.27Å; E181-Y210 PolarHBondContact OE1-OH 3.17Å; E181-Y210 WeakPolarHBondContact OE2-CE1 3.36Å; E181-Y210 PolarHBondContact OE2-OH 3.3Å; F188-Y210 HydrophobicContact CE1-CE2 4.34Å; F188-Y210 HydrophobicContact CZ-CE2 4.22Å; F188-Y210 WeakPolarHBondContact CZ-OH 3.26Å; Q207-Y210 VanDerWaalsContact O-CD2 3.29Å; Q207-Y210 WeakPolarHBondContact O-CD2 3.27Å; Q207-Y210 VanDerWaalsContact O-CE2 3.25Å; Q207-Y210 WeakPolarHBondContact O-CE2 3Å; Y210-Y236 VanDerWaalsContact CB-C 3.47Å; Y210-Y236 WeakPolarHBondContact CB-O 3.16Å; Y210-F237 HydrophobicContact CD1-CB 4.41Å; Y210-F237 HydrophobicContact CD2-CB 4.29Å; Y210-F237 HydrophobicContact CE2-CB 4.45Å; Y210-F237 HydrophobicContact CG-CB 4.3Å; Y210-Y246 HydrophobicContact CD1-CD2 4.29Å; Y210-Y246 HydrophobicContact CD1-CE2 4.04Å; Y210-Y246 VanDerWaalsContact O-CA 3.31Å; Y210-Y246 WeakPolarHBondContact O-CA 3.44Å; Y210-Y246 WeakPolarHBondContact O-CD1 3.2Å; Y210-N247 PolarHBondContact O-N 2.9Å
211	C	97.6	Very high	97.5	Very high	49 Å²	49	62.8 Å²	62.8	33%	0.331	33%	0.332	S	S	.	.			trans	-103.2	117	-178.2	161.6	0	0	0	0	108.7	R209 C223 Y236	R209-C211 PolarHBondContact O-N 3.19Å; R209-C211 VanDerWaalsContact O-N 3.13Å; C211-C223 VanDerWaalsContact CA-SG 3.58Å; C211-C223 HydrophobicContact CB-CB 3.82Å; C211-C223 WeakPolarHBondContact CB-SG 3.26Å; C211-C223 WeakPolarHBondContact SG-CB 3.49Å; C211-C223 CovalentContact SG-SG 2Å; C211-C223 PolarHBondContact SG-SG 3.11Å; C211-Y236 HydrophobicContact CB-CD2 4.46Å
212	S	96.7	Very high	97.6	Very high	45 Å²	45	65.6 Å²	65.6	32%	0.315	35%	0.35	S	S	.	.			trans	-98.5	136.1	167.8	-171.6	0	0	0	0	109.7	L217 N247	S212-L217 WeakPolarHBondContact OG-CD1 3.35Å; S212-N247 PolarHBondContact N-OD1 3.24Å; S212-N247 PolarHBondContact O-ND2 2.84Å; S212-N247 PolarHBondContact O-OD1 3.43Å
213	S	96.9	Very high	97.6	Very high	79 Å²	79	62.1 Å²	62.1	55%	0.552	34%	0.335	S	S	*	.			trans	-130.5	131.3	-175.8	177.7	0	0	0	0	110.1	D218	S213-D218 WeakPolarHBondContact CB-OD1 3.31Å; S213-D218 VanDerWaalsContact OG-CG 3.25Å; S213-D218 PolarHBondContact OG-OD1 3.32Å; S213-D218 PolarHBondContact OG-OD2 2.9Å; S213-D218 VanDerWaalsContact OG-OD2 3.09Å
214	S	97.1	Very high	97.5	Very high	42 Å²	42	62.2 Å²	62.2	29%	0.294	33%	0.334	S	S	.	.			trans	-153	169.8	172.2	82.8	0	0	0	0	107.3	E216 L217 D218	S214-E216 WeakPolarHBondContact CB-OE2 3.47Å; S214-E216 PolarHBondContact O-N 2.86Å; S214-E216 PolarHBondContact OG-N 3.46Å; S214-E216 PolarHBondContact OG-OE2 2.97Å; S214-L217 PolarHBondContact O-N 3.01Å; S214-L217 PolarHBondContact OG-N 2.86Å; S214-L217 VanDerWaalsContact OG-N 3.08Å; S214-D218 WeakPolarHBondContact O-CB 3.34Å; S214-D218 PolarHBondContact O-N 3.2Å
215	A	97.7	Very high	97.5	Very high	79 Å²	79	70.4 Å²	70.4	65%	0.653	37%	0.369	S	S	*	.	H	α-helix	trans	-58.1	-38.5	176.9	0	0	0	0	0	112	Y219	A215-Y219 WeakPolarHBondContact O-CB 3.49Å; A215-Y219 PolarHBondContact O-N 2.9Å
216	E	97	Very high	97.5	Very high	120 Å²	120	72.8 Å²	72.8	56%	0.561	38%	0.379	S	S	*	.	H	α-helix	trans	-70.1	-49	177	-55.3	74.8	-163.3	0	0	111.4	S214 Y219 F220	S214-E216 WeakPolarHBondContact CB-OE2 3.47Å; S214-E216 PolarHBondContact O-N 2.86Å; S214-E216 PolarHBondContact OG-N 3.46Å; S214-E216 PolarHBondContact OG-OE2 2.97Å; E216-Y219 PolarHBondContact O-N 3.47Å; E216-F220 VanDerWaalsContact O-CD2 3.23Å; E216-F220 WeakPolarHBondContact O-CD2 3.43Å; E216-F220 PolarHBondContact O-N 3.46Å
217	L	97.1	Very high	97.5	Very high	36 Å²	36	73.8 Å²	73.8	19%	0.188	38%	0.38	C	S	.	.	H	α-helix	trans	-68.2	-35.3	-179.6	-69.2	-175.9	0	0	0	112.5	S212 S214 Y219 Y221 F248	S212-L217 WeakPolarHBondContact OG-CD1 3.35Å; S214-L217 PolarHBondContact O-N 3.01Å; S214-L217 PolarHBondContact OG-N 2.86Å; S214-L217 VanDerWaalsContact OG-N 3.08Å; L217-Y219 PolarHBondContact O-N 2.77Å; L217-Y221 HydrophobicContact CD2-CD2 4.28Å; L217-Y221 CarbonylContact O-C 3.5Å; L217-Y221 VanDerWaalsContact O-CA 3.24Å; L217-Y221 WeakPolarHBondContact O-CA 3.46Å; L217-Y221 PolarHBondContact O-N 3.44Å; L217-F248 HydrophobicContact CD1-CD1 4.21Å; L217-F248 HydrophobicContact CD2-CB 3.79Å; L217-F248 HydrophobicContact CD2-CG 4.5Å
218	D	97.7	Very high	97.5	Very high	73 Å²	73	69.5 Å²	69.5	39%	0.39	37%	0.365	S	S	.	.	H	α-helix	trans	-68.6	-26.5	175.9	-71.4	-4.2	0	0	0	111.7	S213 S214 P222	S213-D218 WeakPolarHBondContact CB-OD1 3.31Å; S213-D218 VanDerWaalsContact OG-CG 3.25Å; S213-D218 PolarHBondContact OG-OD1 3.32Å; S213-D218 PolarHBondContact OG-OD2 2.9Å; S213-D218 VanDerWaalsContact OG-OD2 3.09Å; S214-D218 WeakPolarHBondContact O-CB 3.34Å; S214-D218 PolarHBondContact O-N 3.2Å; D218-P222 WeakPolarHBondContact O-CB 3.35Å
219	Y	97.9	Very high	97.4	Very high	181 Å²	181	76.4 Å²	76.4	71%	0.71	40%	0.402	S	S	*	.	H	α-helix	trans	-77.8	-49.7	174.6	-179.2	-95.2	0	0	0	112.1	A215 E216 L217	A215-Y219 WeakPolarHBondContact O-CB 3.49Å; A215-Y219 PolarHBondContact O-N 2.9Å; E216-Y219 PolarHBondContact O-N 3.47Å; L217-Y219 PolarHBondContact O-N 2.77Å
220	F	97.4	Very high	97.4	Very high	126 Å²	126	79.5 Å²	79.5	55%	0.553	42%	0.42	S	S	*	.	H	α-helix	trans	-87	-44	-174.7	-68.7	-69.8	0	0	0	113.3	E216 P222	E216-F220 VanDerWaalsContact O-CD2 3.23Å; E216-F220 WeakPolarHBondContact O-CD2 3.43Å; E216-F220 PolarHBondContact O-N 3.46Å; F220-P222 VanDerWaalsContact C-CD 3.5Å
221	Y	98.1	Very high	97.4	Very high	34 Å²	34	78.9 Å²	78.9	13%	0.133	42%	0.417	C	S	.	.	S	Bend	trans	-134.2	54.8	-168.8	-54.7	-50.4	0	0	0	112.5	L217 N247 F248 G251 Q252 D255 L267	L217-Y221 HydrophobicContact CD2-CD2 4.28Å; L217-Y221 CarbonylContact O-C 3.5Å; L217-Y221 VanDerWaalsContact O-CA 3.24Å; L217-Y221 WeakPolarHBondContact O-CA 3.46Å; L217-Y221 PolarHBondContact O-N 3.44Å; Y221-N247 PolarHBondContact O-ND2 3.21Å; Y221-F248 HydrophobicContact CD2-CB 3.9Å; Y221-F248 HydrophobicContact CG-CB 4.44Å; Y221-G251 VanDerWaalsContact CD1-CA 3.45Å; Y221-G251 VanDerWaalsContact CE1-C 3.41Å; Y221-Q252 HydrophobicContact CE1-CG 4.39Å; Y221-Q252 HydrophobicContact CE2-CG 3.61Å; Y221-Q252 WeakPolarHBondContact OH-CG 3.41Å; Y221-D255 VanDerWaalsContact CE1-OD2 3.27Å; Y221-D255 WeakPolarHBondContact CE1-OD2 3.47Å; Y221-D255 PolarHBondContact OH-OD2 3.09Å; Y221-L267 HydrophobicContact CD1-CD1 4.31Å
222	P	98.1	Very high	97.4	Very high	60 Å²	60	79.6 Å²	79.6	39%	0.39	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-60.5	141.6	-175.6	24.8	-34.4	0	0	0	111.7	D218 F220	D218-P222 WeakPolarHBondContact O-CB 3.35Å; F220-P222 VanDerWaalsContact C-CD 3.5Å
223	C	98.1	Very high	97.5	Very high	12 Å²	12	80.4 Å²	80.4	8%	0.081	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-71.1	136.2	173.8	-54.9	0	0	0	0	111.3	C211 K225 Y236	C211-C223 VanDerWaalsContact CA-SG 3.58Å; C211-C223 HydrophobicContact CB-CB 3.82Å; C211-C223 WeakPolarHBondContact CB-SG 3.26Å; C211-C223 WeakPolarHBondContact SG-CB 3.49Å; C211-C223 CovalentContact SG-SG 2Å; C211-C223 PolarHBondContact SG-SG 3.11Å; C223-K225 WeakPolarHBondContact O-CG 3.38Å; C223-K225 PolarHBondContact O-N 3.32Å; C223-Y236 HydrophobicContact CB-CE2 4.14Å
224	H	98	Very high	97.6	Very high	30 Å²	30	76.7 Å²	76.7	14%	0.139	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-67.7	127.2	172	-168.3	46.8	0	0	0	110.4	E226 Y236 L267	H224-E226 VanDerWaalsContact CE1-CD 3.42Å; H224-E226 VanDerWaalsContact CE1-CG 3.47Å; H224-E226 WeakPolarHBondContact CE1-CG 3.32Å; H224-E226 IonicContact CE1-OE1 3.49Å; H224-E226 PolarHBondContact CE1-OE1 3.13Å; H224-E226 IonicContact CE1-OE2 3.93Å; H224-E226 WeakPolarHBondContact NE2-CB 3.36Å; H224-E226 IonicContact NE2-OE1 2.67Å; H224-E226 IonicContact NE2-OE2 3.47Å; H224-Y236 PolarHBondContact N-OH 3.19Å; H224-L267 WeakPolarHBondContact CB-O 3.4Å
225	K	96.8	Very high	97.6	Very high	173 Å²	173	74.7 Å²	74.7	75%	0.752	37%	0.371	S	S	*	.			trans	-100.5	-9.6	-170.3	-62.1	-177.4	-177.8	175.8	0	113.6	C223	C223-K225 WeakPolarHBondContact O-CG 3.38Å; C223-K225 PolarHBondContact O-N 3.32Å
226	E	98.1	Very high	97.7	Very high	90 Å²	90	70.9 Å²	70.9	42%	0.421	34%	0.34	S	S	.	.			trans	-66.3	147.5	179.6	-69.2	-179.4	-159.5	0	0	111.9	H224 K233	H224-E226 VanDerWaalsContact CE1-CD 3.42Å; H224-E226 VanDerWaalsContact CE1-CG 3.47Å; H224-E226 WeakPolarHBondContact CE1-CG 3.32Å; H224-E226 IonicContact CE1-OE1 3.49Å; H224-E226 PolarHBondContact CE1-OE1 3.13Å; H224-E226 IonicContact CE1-OE2 3.93Å; H224-E226 WeakPolarHBondContact NE2-CB 3.36Å; H224-E226 IonicContact NE2-OE1 2.67Å; H224-E226 IonicContact NE2-OE2 3.47Å; E226-K233 HydrophobicContact CB-CB 4.45Å; E226-K233 HydrophobicContact CB-CD 3.89Å; E226-K233 HydrophobicContact CB-CG 4.37Å; E226-K233 PolarHBondContact O-N 3.09Å; E226-K233 IonicContact OE2-NZ 2.74Å; E226-K233 PolarHBondContact OE2-NZ 3.04Å
227	T	98	Very high	97.7	Very high	78 Å²	78	65.2 Å²	65.2	48%	0.479	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	165.1	173	56.8	0	0	0	0	110.3	Y231 Y232 K233	T227-Y231 CarbonylContact C-O 3.58Å; T227-Y231 WeakPolarHBondContact CA-O 3.26Å; T227-Y231 WeakPolarHBondContact CB-O 3.48Å; T227-Y232 HydrophobicContact CG2-CD1 3.95Å; T227-Y232 HydrophobicContact CG2-CE1 4.17Å; T227-K233 WeakPolarHBondContact O-CE 3.25Å
228	A	96.7	Very high	97.8	Very high	32 Å²	32	63.5 Å²	63.5	26%	0.264	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	112.9	167.1	0	0	0	0	0	106.9	V203 Q230 Y231	V203-A228 HydrophobicContact CG1-CB 4.16Å; A228-Q230 PolarHBondContact O-N 3.43Å; A228-Y231 PolarHBondContact N-O 2.77Å; A228-Y231 WeakPolarHBondContact O-CB 3.21Å; A228-Y231 PolarHBondContact O-N 3.36Å
229	D	95.6	Very high	97.8	Very high	146 Å²	146	60 Å²	60	78%	0.781	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	-125	-167	-53	-47.8	0	0	0	111	Y231	D229-Y231 VanDerWaalsContact C-N 3.33Å
230	Q	96.6	Very high	97.8	Very high	132 Å²	132	51.5 Å²	51.5	62%	0.617	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-1.7	174.9	66.5	-83.8	-0.7	0	0	115	A228	A228-Q230 PolarHBondContact O-N 3.43Å
231	Y	98.1	Very high	97.7	Very high	39 Å²	39	45.5 Å²	45.5	15%	0.153	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	163.1	-174.4	-52.6	-67.4	0	0	0	112.8	P190 V203 N205 T227 A228 D229	P190-Y231 HydrophobicContact CB-CD1 4.39Å; P190-Y231 HydrophobicContact CB-CE1 3.69Å; P190-Y231 HydrophobicContact CB-CE2 4.16Å; P190-Y231 HydrophobicContact CG-CD1 3.79Å; P190-Y231 HydrophobicContact CG-CD2 4.24Å; P190-Y231 HydrophobicContact CG-CE1 3.6Å; P190-Y231 HydrophobicContact CG-CE2 4.04Å; P190-Y231 HydrophobicContact CG-CG 4.12Å; V203-Y231 HydrophobicContact CB-CG 4.49Å; V203-Y231 HydrophobicContact CG2-CD2 4.22Å; V203-Y231 HydrophobicContact CG2-CG 4.18Å; N205-Y231 WeakPolarHBondContact OD1-CE1 3.25Å; T227-Y231 CarbonylContact C-O 3.58Å; T227-Y231 WeakPolarHBondContact CA-O 3.26Å; T227-Y231 WeakPolarHBondContact CB-O 3.48Å; A228-Y231 PolarHBondContact N-O 2.77Å; A228-Y231 WeakPolarHBondContact O-CB 3.21Å; A228-Y231 PolarHBondContact O-N 3.36Å; D229-Y231 VanDerWaalsContact C-N 3.33Å
232	Y	98.4	Very high	97.6	Very high	65 Å²	65	44 Å²	44	26%	0.255	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	150.3	177.4	-60.8	-89.6	0	0	0	110.7	V203 C204 A206 R209 T227 C235	V203-Y232 VanDerWaalsContact CA-O 3.24Å; V203-Y232 WeakPolarHBondContact CA-O 3.36Å; V203-Y232 WeakPolarHBondContact CB-O 3.4Å; C204-Y232 PolarHBondContact N-O 3Å; C204-Y232 VanDerWaalsContact N-O 3.1Å; C204-Y232 PolarHBondContact O-N 3.37Å; A206-Y232 HydrophobicContact CB-CE2 3.77Å; R209-Y232 VanDerWaalsContact CD-CD1 3.47Å; R209-Y232 HydrophobicContact CG-CD1 4.18Å; R209-Y232 HydrophobicContact CG-CD2 3.95Å; R209-Y232 HydrophobicContact CG-CG 3.77Å; T227-Y232 HydrophobicContact CG2-CD1 3.95Å; T227-Y232 HydrophobicContact CG2-CE1 4.17Å; Y232-C235 PolarHBondContact O-SG 3.48Å
233	K	98.3	Very high	97.5	Very high	62 Å²	62	42.2 Å²	42.2	27%	0.27	21%	0.207	S	C	.	.	S	Bend	trans	-95.9	-27.9	169.7	-60.5	-171	-170.7	171.3	0	112.9	V203 E226 T227 C235	V203-K233 HydrophobicContact CG1-CG 4.49Å; E226-K233 HydrophobicContact CB-CB 4.45Å; E226-K233 HydrophobicContact CB-CD 3.89Å; E226-K233 HydrophobicContact CB-CG 4.37Å; E226-K233 PolarHBondContact O-N 3.09Å; E226-K233 IonicContact OE2-NZ 2.74Å; E226-K233 PolarHBondContact OE2-NZ 3.04Å; T227-K233 WeakPolarHBondContact O-CE 3.25Å; K233-C235 VanDerWaalsContact C-N 3.26Å; K233-C235 PolarHBondContact O-N 3.19Å
234	G	98.2	Very high	97.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.203	C	C	.	.			trans	-76.8	75.7	172.4	0	0	0	0	0	111.5
235	C	98.3	Very high	97.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.204	C	C	.	.			trans	-108.7	106.6	-176.2	-60.8	0	0	0	0	110.3	C204 Y232 K233 F237 R239 P270	C204-C235 HydrophobicContact CB-CB 3.75Å; C204-C235 WeakPolarHBondContact CB-SG 3.15Å; C204-C235 PolarHBondContact N-SG 2.68Å; C204-C235 WeakPolarHBondContact SG-CA 3.1Å; C204-C235 WeakPolarHBondContact SG-CB 2.88Å; C204-C235 CovalentContact SG-SG 2.03Å; C204-C235 PolarHBondContact SG-SG 2.97Å; Y232-C235 PolarHBondContact O-SG 3.48Å; K233-C235 VanDerWaalsContact C-N 3.26Å; K233-C235 PolarHBondContact O-N 3.19Å; C235-F237 HydrophobicContact CB-CD1 3.99Å; C235-F237 HydrophobicContact CB-CE1 3.83Å; C235-R239 VanDerWaalsContact O-CZ 3.23Å; C235-R239 PolarHBondContact O-NH1 3.26Å; C235-R239 PolarHBondContact O-NH2 3.15Å; C235-P270 HydrophobicContact CB-CG 4.42Å; C235-P270 WeakPolarHBondContact O-CB 3.34Å; C235-P270 WeakPolarHBondContact O-CG 3.37Å
236	Y	98.6	Very high	97.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.186	C	C	.	.			trans	-116.9	20.9	-176.7	-48.3	-67.9	0	0	0	113.1	G208 R209 Y210 C211 C223 H224 S245 Y246 N247 Y250 L267 P270	G208-Y236 PolarHBondContact O-N 3.43Å; R209-Y236 WeakPolarHBondContact O-CD2 3.33Å; R209-Y236 PolarHBondContact O-N 2.64Å; R209-Y236 VanDerWaalsContact O-N 3.07Å; Y210-Y236 VanDerWaalsContact CB-C 3.47Å; Y210-Y236 WeakPolarHBondContact CB-O 3.16Å; C211-Y236 HydrophobicContact CB-CD2 4.46Å; C223-Y236 HydrophobicContact CB-CE2 4.14Å; H224-Y236 PolarHBondContact N-OH 3.19Å; Y236-S245 CarbonylContact O-C 3.17Å; Y236-S245 WeakPolarHBondContact O-CA 3.26Å; Y236-Y246 PolarHBondContact O-N 3.08Å; Y236-N247 HydrophobicContact CD1-CB 4.42Å; Y236-N247 HydrophobicContact CD2-CB 3.68Å; Y236-N247 HydrophobicContact CE1-CB 4.42Å; Y236-N247 HydrophobicContact CE2-CB 3.68Å; Y236-N247 HydrophobicContact CG-CB 4.08Å; Y236-Y250 HydrophobicContact CD1-CD1 4.32Å; Y236-Y250 AromaticContact CD1-CD2 3.9Å; Y236-Y250 HydrophobicContact CD1-CD2 3.9Å; Y236-Y250 HydrophobicContact CD1-CE2 4.47Å; Y236-Y250 AromaticContact CD1-CG 3.83Å; Y236-Y250 HydrophobicContact CD1-CG 3.83Å; Y236-Y250 HydrophobicContact CG-CD2 4.39Å; Y236-L267 HydrophobicContact CE1-CD2 4.34Å; Y236-L267 WeakPolarHBondContact CE1-O 3.48Å; Y236-L267 PolarHBondContact OH-O 2.97Å; Y236-P270 HydrophobicContact CD1-CB 3.9Å; Y236-P270 HydrophobicContact CD1-CG 4.44Å; Y236-P270 HydrophobicContact CE1-CB 3.93Å; Y236-P270 HydrophobicContact CE1-CG 4.24Å
237	F	98.1	Very high	97.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	-60.1	163.4	169.9	68.1	-89.4	0	0	0	111.1	F180 E181 F188 L189 C204 G208 Y210 C235 R239 Y250	F180-F237 HydrophobicContact CB-CE2 3.83Å; F180-F237 AromaticContact CD1-CE2 3.52Å; F180-F237 HydrophobicContact CD1-CE2 3.52Å; F180-F237 AromaticContact CD1-CZ 3.86Å; F180-F237 HydrophobicContact CD1-CZ 3.86Å; F180-F237 HydrophobicContact CE1-CE2 4.39Å; F180-F237 HydrophobicContact CE1-CZ 4.31Å; F180-F237 AromaticContact CG-CE2 3.96Å; F180-F237 HydrophobicContact CG-CE2 3.96Å; F180-F237 HydrophobicContact CG-CZ 4.44Å; E181-F237 HydrophobicContact CB-CD2 4.34Å; F188-F237 HydrophobicContact CB-CB 4.49Å; F188-F237 HydrophobicContact CB-CD1 4.3Å; F188-F237 HydrophobicContact CB-CD2 4.4Å; F188-F237 HydrophobicContact CB-CG 4.14Å; F188-F237 HydrophobicContact CD2-CB 3.96Å; F188-F237 HydrophobicContact CD2-CD2 4.15Å; F188-F237 HydrophobicContact CD2-CG 4.18Å; F188-F237 HydrophobicContact CG-CB 4.3Å; F188-F237 HydrophobicContact CG-CG 4.42Å; L189-F237 HydrophobicContact CD2-CE1 3.96Å; L189-F237 HydrophobicContact CD2-CE2 4.42Å; L189-F237 HydrophobicContact CD2-CZ 3.59Å; L189-F237 HydrophobicContact CG-CZ 4.39Å; C204-F237 HydrophobicContact CB-CD1 4.22Å; C204-F237 HydrophobicContact CB-CE1 4.02Å; G208-F237 WeakPolarHBondContact O-CD1 3.38Å; G208-F237 PolarHBondContact O-N 2.97Å; Y210-F237 HydrophobicContact CD1-CB 4.41Å; Y210-F237 HydrophobicContact CD2-CB 4.29Å; Y210-F237 HydrophobicContact CE2-CB 4.45Å; Y210-F237 HydrophobicContact CG-CB 4.3Å; C235-F237 HydrophobicContact CB-CD1 3.99Å; C235-F237 HydrophobicContact CB-CE1 3.83Å; F237-R239 HydrophobicContact CD2-CG 4.49Å; F237-R239 HydrophobicContact CE2-CG 4.12Å; F237-R239 WeakPolarHBondContact O-CG 3.28Å; F237-R239 PolarHBondContact O-N 2.98Å; F237-Y250 PolarHBondContact O-OH 3.44Å
238	G	97.9	Very high	97.3	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.154	C	C	.	.			trans	-57.7	133.5	-175	0	0	0	0	0	113.8	E181 Q243 L244 S245	E181-G238 PolarHBondContact N-O 3.24Å; E181-G238 PolarHBondContact OE2-N 3.12Å; G238-Q243 VanDerWaalsContact CA-OE1 3.25Å; G238-Q243 PolarHBondContact O-OE1 3.08Å; G238-L244 WeakPolarHBondContact CA-O 3.45Å; G238-S245 WeakPolarHBondContact CA-OG 3.38Å; G238-S245 PolarHBondContact N-OG 2.95Å
239	R	97.8	Very high	97.4	Very high	1 Å²	1	31.1 Å²	31.1	0%	0.004	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-143.5	158.1	169.6	-31.1	175.4	169.4	95.4	-9.3	112.3	W179 F180 G201 C235 F237 L244 Y250 P270 L273 M274	W179-R239 CarbonylContact O-C 3.54Å; W179-R239 WeakPolarHBondContact O-CA 3.2Å; F180-R239 HydrophobicContact CD1-CB 4.21Å; F180-R239 HydrophobicContact CD1-CG 3.9Å; F180-R239 HydrophobicContact CE1-CG 4.2Å; G201-R239 PolarHBondContact O-NH2 3.4Å; C235-R239 VanDerWaalsContact O-CZ 3.23Å; C235-R239 PolarHBondContact O-NH1 3.26Å; C235-R239 PolarHBondContact O-NH2 3.15Å; F237-R239 HydrophobicContact CD2-CG 4.49Å; F237-R239 HydrophobicContact CE2-CG 4.12Å; F237-R239 WeakPolarHBondContact O-CG 3.28Å; F237-R239 PolarHBondContact O-N 2.98Å; R239-L244 PolarHBondContact N-O 3.05Å; R239-L244 PolarHBondContact O-N 2.85Å; R239-Y250 WeakPolarHBondContact CD-OH 3.37Å; R239-Y250 VanDerWaalsContact CG-OH 3.26Å; R239-Y250 WeakPolarHBondContact CG-OH 3.47Å; R239-Y250 PolarHBondContact NH1-OH 3.32Å; R239-P270 PolarHBondContact NH1-O 3.21Å; R239-L273 HydrophobicContact CB-CD2 3.97Å; R239-L273 HydrophobicContact CG-CD2 4.49Å; R239-M274 HydrophobicContact CB-CG 3.76Å; R239-M274 HydrophobicContact CB-SD 3.78Å; R239-M274 HydrophobicContact CG-CG 4.36Å
240	G	97.7	Very high	97.5	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.01	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.3	176.3	179.5	0	0	0	0	0	112.3	Y106 T151 W179 I242 Q243 M274	Y106-G240 WeakPolarHBondContact OH-CA 3.45Å; T151-G240 WeakPolarHBondContact CG2-O 3.38Å; W179-G240 PolarHBondContact O-N 3.41Å; G240-I242 VanDerWaalsContact C-N 3.32Å; G240-I242 PolarHBondContact O-N 3.09Å; G240-Q243 PolarHBondContact O-NE2 2.78Å; G240-M274 PolarHBondContact N-SD 3.22Å; G240-M274 VanDerWaalsContact N-SD 3.37Å
241	A	96.9	Very high	97.6	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-35.8	-170.9	0	0	0	0	0	113.4	Y106 A147 T151 F176 S286	Y106-A241 HydrophobicContact CE1-CB 4.19Å; Y106-A241 PolarHBondContact OH-N 2.94Å; A147-A241 HydrophobicContact CB-CB 4.1Å; T151-A241 WeakPolarHBondContact CG2-O 3.45Å; T151-A241 PolarHBondContact OG1-O 3.46Å; T151-A241 VanDerWaalsContact OG1-O 3.08Å; F176-A241 HydrophobicContact CD1-CB 3.4Å; F176-A241 VanDerWaalsContact CD1-CB 3.4Å; F176-A241 HydrophobicContact CE1-CB 3.19Å; F176-A241 HydrophobicContact CZ-CB 4.23Å; A241-S286 WeakPolarHBondContact CB-OG 3.4Å; A241-S286 PolarHBondContact N-OG 3.24Å
242	I	95.2	Very high	97.6	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.01	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	118.7	162.3	-64.2	176.9	0	0	0	105.9	F143 H146 G240 L244 S286 F289 I334	F143-I242 HydrophobicContact CD2-CD1 3.79Å; F143-I242 HydrophobicContact CE2-CD1 3.61Å; F143-I242 HydrophobicContact CE2-CG1 4.31Å; H146-I242 HydrophobicContact CB-CD1 4.1Å; H146-I242 HydrophobicContact CB-CG1 4.29Å; G240-I242 VanDerWaalsContact C-N 3.32Å; G240-I242 PolarHBondContact O-N 3.09Å; I242-L244 PolarHBondContact O-N 3.49Å; I242-S286 PolarHBondContact N-OG 3.19Å; I242-F289 HydrophobicContact CG2-CB 4.24Å; I242-F289 HydrophobicContact CG2-CD1 3.52Å; I242-F289 HydrophobicContact CG2-CE1 4.17Å; I242-F289 HydrophobicContact CG2-CG 4.1Å; I242-I334 HydrophobicContact CG2-CD1 3.95Å; I242-I334 HydrophobicContact CG2-CG1 4.34Å
243	Q	95.4	Very high	97.6	Very high	24 Å²	24	15.8 Å²	15.8	11%	0.112	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	82.5	-163.4	-71.8	-74.5	-66.7	0	0	113.1	E150 T151 E181 G238 G240 S245	E150-Q243 HydrophobicContact CB-CG 4.28Å; T151-Q243 HydrophobicContact CG2-CG 3.94Å; E181-Q243 VanDerWaalsContact CB-OE1 3.26Å; G238-Q243 VanDerWaalsContact CA-OE1 3.25Å; G238-Q243 PolarHBondContact O-OE1 3.08Å; G240-Q243 PolarHBondContact O-NE2 2.78Å; Q243-S245 PolarHBondContact O-N 2.66Å; Q243-S245 VanDerWaalsContact O-N 3.1Å; Q243-S245 PolarHBondContact O-OG 2.99Å
244	L	97.1	Very high	97.6	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.061	C	C	.	.	B	Isolated β-bridge	trans	-61.4	118	178.5	-168.6	72.7	0	0	0	109.4	G238 R239 I242 N249 Y250 F253 L273 W288 F289	G238-L244 WeakPolarHBondContact CA-O 3.45Å; R239-L244 PolarHBondContact N-O 3.05Å; R239-L244 PolarHBondContact O-N 2.85Å; I242-L244 PolarHBondContact O-N 3.49Å; L244-N249 HydrophobicContact CD1-CB 3.77Å; L244-N249 HydrophobicContact CG-CB 4.27Å; L244-Y250 HydrophobicContact CD2-CD2 4.46Å; L244-Y250 HydrophobicContact CD2-CE1 4.48Å; L244-Y250 HydrophobicContact CD2-CE2 4.47Å; L244-Y250 HydrophobicContact CD2-CG 4.47Å; L244-Y250 HydrophobicContact CG-CD2 4.42Å; L244-Y250 HydrophobicContact CG-CE2 4.23Å; L244-Y250 WeakPolarHBondContact O-CE2 3.29Å; L244-Y250 PolarHBondContact O-OH 3.13Å; L244-F253 HydrophobicContact CD2-CB 4.16Å; L244-F253 HydrophobicContact CD2-CD1 3.85Å; L244-F253 HydrophobicContact CD2-CG 4.32Å; L244-L273 HydrophobicContact CB-CD2 3.95Å; L244-L273 HydrophobicContact CD2-CD1 4.36Å; L244-L273 HydrophobicContact CD2-CD2 3.92Å; L244-W288 HydrophobicContact CD1-CE3 3.92Å; L244-W288 HydrophobicContact CD1-CZ3 3.64Å; L244-F289 HydrophobicContact CD1-CB 4.44Å; L244-F289 HydrophobicContact CD1-CD2 3.89Å
245	S	96.9	Very high	97.6	Very high	21 Å²	21	15.2 Å²	15.2	15%	0.147	7%	0.073	C	C	.	.			trans	-134.9	150.3	-168.2	-62.5	0	0	0	0	111.4	Y236 G238 Q243 N249	Y236-S245 CarbonylContact O-C 3.17Å; Y236-S245 WeakPolarHBondContact O-CA 3.26Å; G238-S245 WeakPolarHBondContact CA-OG 3.38Å; G238-S245 PolarHBondContact N-OG 2.95Å; Q243-S245 PolarHBondContact O-N 2.66Å; Q243-S245 VanDerWaalsContact O-N 3.1Å; Q243-S245 PolarHBondContact O-OG 2.99Å; S245-N249 VanDerWaalsContact O-CB 3.27Å; S245-N249 WeakPolarHBondContact O-CB 3.13Å; S245-N249 PolarHBondContact O-ND2 2.92Å
246	Y	97.4	Very high	97.6	Very high	100 Å²	100	17.8 Å²	17.8	39%	0.392	8%	0.083	S	C	.	.	S	Bend	trans	72.4	140.3	-177.6	-62.6	-94.8	0	0	0	116.9	Y210 Y236 F248 N249 Y250	Y210-Y246 HydrophobicContact CD1-CD2 4.29Å; Y210-Y246 HydrophobicContact CD1-CE2 4.04Å; Y210-Y246 VanDerWaalsContact O-CA 3.31Å; Y210-Y246 WeakPolarHBondContact O-CA 3.44Å; Y210-Y246 WeakPolarHBondContact O-CD1 3.2Å; Y236-Y246 PolarHBondContact O-N 3.08Å; Y246-F248 VanDerWaalsContact CB-CZ 3.48Å; Y246-F248 AromaticContact CD1-CE1 3.9Å; Y246-F248 HydrophobicContact CD1-CE1 3.9Å; Y246-F248 HydrophobicContact CD1-CZ 4.43Å; Y246-F248 HydrophobicContact CD2-CE1 4.45Å; Y246-F248 HydrophobicContact CD2-CZ 4.19Å; Y246-F248 AromaticContact CG-CE1 3.65Å; Y246-F248 HydrophobicContact CG-CE1 3.65Å; Y246-F248 AromaticContact CG-CZ 3.81Å; Y246-F248 HydrophobicContact CG-CZ 3.81Å; Y246-F248 PolarHBondContact O-N 3.02Å; Y246-F248 VanDerWaalsContact O-N 3.09Å; Y246-N249 PolarHBondContact O-N 3.19Å; Y246-Y250 WeakPolarHBondContact O-CD2 3.32Å; Y246-Y250 PolarHBondContact O-N 2.91Å
247	N	98.1	Very high	97.6	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-46.1	-42.1	179.8	56.3	-52.8	0	0	0	114	Y210 S212 Y221 Y236 N249 Y250 G251 L267	Y210-N247 PolarHBondContact O-N 2.9Å; S212-N247 PolarHBondContact N-OD1 3.24Å; S212-N247 PolarHBondContact O-ND2 2.84Å; S212-N247 PolarHBondContact O-OD1 3.43Å; Y221-N247 PolarHBondContact O-ND2 3.21Å; Y236-N247 HydrophobicContact CD1-CB 4.42Å; Y236-N247 HydrophobicContact CD2-CB 3.68Å; Y236-N247 HydrophobicContact CE1-CB 4.42Å; Y236-N247 HydrophobicContact CE2-CB 3.68Å; Y236-N247 HydrophobicContact CG-CB 4.08Å; N247-N249 PolarHBondContact O-N 3.04Å; N247-Y250 PolarHBondContact O-N 3.4Å; N247-G251 PolarHBondContact O-N 3.17Å; N247-L267 HydrophobicContact CB-CD2 4.22Å; N247-L267 VanDerWaalsContact O-CD2 3.22Å; N247-L267 WeakPolarHBondContact O-CD2 3.46Å
248	F	96.8	Very high	97.6	Very high	48 Å²	48	23.7 Å²	23.7	21%	0.211	11%	0.105	C	C	.	.	H	α-helix	trans	-65.4	-37.4	-179.4	55.4	-97.8	0	0	0	113.1	L217 Y221 Y246 G251 Q252	L217-F248 HydrophobicContact CD1-CD1 4.21Å; L217-F248 HydrophobicContact CD2-CB 3.79Å; L217-F248 HydrophobicContact CD2-CG 4.5Å; Y221-F248 HydrophobicContact CD2-CB 3.9Å; Y221-F248 HydrophobicContact CG-CB 4.44Å; Y246-F248 VanDerWaalsContact CB-CZ 3.48Å; Y246-F248 AromaticContact CD1-CE1 3.9Å; Y246-F248 HydrophobicContact CD1-CE1 3.9Å; Y246-F248 HydrophobicContact CD1-CZ 4.43Å; Y246-F248 HydrophobicContact CD2-CE1 4.45Å; Y246-F248 HydrophobicContact CD2-CZ 4.19Å; Y246-F248 AromaticContact CG-CE1 3.65Å; Y246-F248 HydrophobicContact CG-CE1 3.65Å; Y246-F248 AromaticContact CG-CZ 3.81Å; Y246-F248 HydrophobicContact CG-CZ 3.81Å; Y246-F248 PolarHBondContact O-N 3.02Å; Y246-F248 VanDerWaalsContact O-N 3.09Å; F248-G251 PolarHBondContact O-N 3.09Å; F248-Q252 WeakPolarHBondContact O-CB 3.3Å; F248-Q252 WeakPolarHBondContact O-CG 3.42Å; F248-Q252 PolarHBondContact O-N 3.41Å
249	N	96.9	Very high	97.6	Very high	12 Å²	12	30 Å²	30	6%	0.064	14%	0.139	C	C	.	.	H	α-helix	trans	-72.3	-39.1	175.9	-72.1	-33.6	0	0	0	111.5	L244 S245 Y246 N247 G251 F253	L244-N249 HydrophobicContact CD1-CB 3.77Å; L244-N249 HydrophobicContact CG-CB 4.27Å; S245-N249 VanDerWaalsContact O-CB 3.27Å; S245-N249 WeakPolarHBondContact O-CB 3.13Å; S245-N249 PolarHBondContact O-ND2 2.92Å; Y246-N249 PolarHBondContact O-N 3.19Å; N247-N249 PolarHBondContact O-N 3.04Å; N249-G251 VanDerWaalsContact C-N 3.32Å; N249-G251 PolarHBondContact O-N 3.01Å; N249-F253 VanDerWaalsContact O-CB 3.3Å; N249-F253 WeakPolarHBondContact O-CB 3.38Å; N249-F253 PolarHBondContact O-N 2.94Å
250	Y	98.5	Very high	97.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.3	-43.4	172.9	-82.8	-98.6	0	0	0	111.7	Y236 F237 R239 L244 Y246 N247 G254 L266 P270 L273	Y236-Y250 HydrophobicContact CD1-CD1 4.32Å; Y236-Y250 AromaticContact CD1-CD2 3.9Å; Y236-Y250 HydrophobicContact CD1-CD2 3.9Å; Y236-Y250 HydrophobicContact CD1-CE2 4.47Å; Y236-Y250 AromaticContact CD1-CG 3.83Å; Y236-Y250 HydrophobicContact CD1-CG 3.83Å; Y236-Y250 HydrophobicContact CG-CD2 4.39Å; F237-Y250 PolarHBondContact O-OH 3.44Å; R239-Y250 WeakPolarHBondContact CD-OH 3.37Å; R239-Y250 VanDerWaalsContact CG-OH 3.26Å; R239-Y250 WeakPolarHBondContact CG-OH 3.47Å; R239-Y250 PolarHBondContact NH1-OH 3.32Å; L244-Y250 HydrophobicContact CD2-CD2 4.46Å; L244-Y250 HydrophobicContact CD2-CE1 4.48Å; L244-Y250 HydrophobicContact CD2-CE2 4.47Å; L244-Y250 HydrophobicContact CD2-CG 4.47Å; L244-Y250 HydrophobicContact CG-CD2 4.42Å; L244-Y250 HydrophobicContact CG-CE2 4.23Å; L244-Y250 WeakPolarHBondContact O-CE2 3.29Å; L244-Y250 PolarHBondContact O-OH 3.13Å; Y246-Y250 WeakPolarHBondContact O-CD2 3.32Å; Y246-Y250 PolarHBondContact O-N 2.91Å; N247-Y250 PolarHBondContact O-N 3.4Å; Y250-G254 PolarHBondContact O-N 2.97Å; Y250-L266 HydrophobicContact CD1-CB 4.19Å; Y250-P270 HydrophobicContact CD1-CB 3.89Å; Y250-P270 HydrophobicContact CE1-CB 3.94Å; Y250-L273 HydrophobicContact CE1-CB 4.27Å; Y250-L273 HydrophobicContact CE1-CD2 3.69Å; Y250-L273 WeakPolarHBondContact OH-CD2 3.4Å
251	G	98.3	Very high	97.6	Very high	4 Å²	4	35.4 Å²	35.4	4%	0.041	17%	0.174	C	C	.	.	H	α-helix	trans	-66.1	-49.6	177.8	0	0	0	0	0	112.9	Y221 N247 F248 N249 F253 G254 D255	Y221-G251 VanDerWaalsContact CD1-CA 3.45Å; Y221-G251 VanDerWaalsContact CE1-C 3.41Å; N247-G251 PolarHBondContact O-N 3.17Å; F248-G251 PolarHBondContact O-N 3.09Å; N249-G251 VanDerWaalsContact C-N 3.32Å; N249-G251 PolarHBondContact O-N 3.01Å; G251-F253 VanDerWaalsContact C-N 3.34Å; G251-F253 PolarHBondContact O-N 3.45Å; G251-G254 CarbonylContact O-C 3.52Å; G251-G254 WeakPolarHBondContact O-CA 3.07Å; G251-G254 PolarHBondContact O-N 3.37Å; G251-G254 VanDerWaalsContact O-N 3.11Å; G251-D255 PolarHBondContact O-N 3.13Å
252	Q	97.9	Very high	97.7	Very high	56 Å²	56	35.6 Å²	35.6	26%	0.262	18%	0.175	S	C	.	.	H	α-helix	trans	-60.6	-42	177.1	-72.4	171.2	29.3	0	0	112.1	Y221 F248 G254 D255 W256 W288	Y221-Q252 HydrophobicContact CE1-CG 4.39Å; Y221-Q252 HydrophobicContact CE2-CG 3.61Å; Y221-Q252 WeakPolarHBondContact OH-CG 3.41Å; F248-Q252 WeakPolarHBondContact O-CB 3.3Å; F248-Q252 WeakPolarHBondContact O-CG 3.42Å; F248-Q252 PolarHBondContact O-N 3.41Å; Q252-G254 VanDerWaalsContact C-N 3.35Å; Q252-D255 PolarHBondContact O-N 3.31Å; Q252-W256 PolarHBondContact O-N 3.06Å; Q252-W288 HydrophobicContact CB-CH2 3.76Å; Q252-W288 HydrophobicContact CB-CZ2 3.74Å
253	F	98.5	Very high	97.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-64.9	-40.7	174.1	-179.4	-134.5	0	0	0	111.4	L244 N249 G251 D255 W256 L257 L266 L273 M284 G285 W288	L244-F253 HydrophobicContact CD2-CB 4.16Å; L244-F253 HydrophobicContact CD2-CD1 3.85Å; L244-F253 HydrophobicContact CD2-CG 4.32Å; N249-F253 VanDerWaalsContact O-CB 3.3Å; N249-F253 WeakPolarHBondContact O-CB 3.38Å; N249-F253 PolarHBondContact O-N 2.94Å; G251-F253 VanDerWaalsContact C-N 3.34Å; G251-F253 PolarHBondContact O-N 3.45Å; F253-D255 VanDerWaalsContact C-N 3.31Å; F253-D255 PolarHBondContact O-N 2.01Å; F253-W256 AromaticContact CD2-CE3 3.97Å; F253-W256 HydrophobicContact CD2-CE3 3.97Å; F253-W256 AromaticContact CE2-CE3 3.66Å; F253-W256 HydrophobicContact CE2-CE3 3.66Å; F253-W256 AromaticContact CE2-CZ3 3.83Å; F253-W256 HydrophobicContact CE2-CZ3 3.83Å; F253-W256 PolarHBondContact O-N 2.62Å; F253-L257 HydrophobicContact CD1-CD1 4.01Å; F253-L257 HydrophobicContact CD2-CD1 4.42Å; F253-L257 HydrophobicContact CD2-CG 4.09Å; F253-L257 HydrophobicContact CE1-CD1 3.66Å; F253-L257 HydrophobicContact CE1-CG 4.2Å; F253-L257 HydrophobicContact CE2-CD1 4.12Å; F253-L257 HydrophobicContact CE2-CD2 3.85Å; F253-L257 HydrophobicContact CE2-CG 3.72Å; F253-L257 HydrophobicContact CG-CD1 4.37Å; F253-L257 HydrophobicContact CG-CG 4.48Å; F253-L257 HydrophobicContact CZ-CD1 3.71Å; F253-L257 HydrophobicContact CZ-CD2 3.75Å; F253-L257 HydrophobicContact CZ-CG 3.77Å; F253-L257 WeakPolarHBondContact O-CB 3.48Å; F253-L257 VanDerWaalsContact O-CG 3.3Å; F253-L257 WeakPolarHBondContact O-CG 3.17Å; F253-L257 PolarHBondContact O-N 2.99Å; F253-L266 HydrophobicContact CD1-CD1 3.48Å; F253-L266 VanDerWaalsContact CD1-CD1 3.48Å; F253-L266 HydrophobicContact CE1-CD1 4.01Å; F253-L266 HydrophobicContact CG-CD1 4.35Å; F253-L273 HydrophobicContact CD1-CD1 4.19Å; F253-L273 HydrophobicContact CE1-CD1 3.72Å; F253-M284 HydrophobicContact CZ-CB 3.94Å; F253-G285 VanDerWaalsContact CE1-CA 3.43Å; F253-G285 VanDerWaalsContact CZ-N 3.29Å; F253-W288 HydrophobicContact CB-CD2 3.88Å; F253-W288 HydrophobicContact CB-CE3 3.83Å; F253-W288 HydrophobicContact CB-CH2 4.18Å; F253-W288 HydrophobicContact CB-CZ2 4.21Å; F253-W288 HydrophobicContact CB-CZ3 4Å; F253-W288 HydrophobicContact CD2-CB 3.63Å; F253-W288 AromaticContact CD2-CD1 3.71Å; F253-W288 AromaticContact CD2-CD2 3.57Å; F253-W288 HydrophobicContact CD2-CD2 3.57Å; F253-W288 HydrophobicContact CD2-CE3 4.12Å; F253-W288 AromaticContact CD2-CG 3.32Å; F253-W288 HydrophobicContact CD2-CG 3.32Å; F253-W288 HydrophobicContact CE2-CB 3.62Å; F253-W288 HydrophobicContact CE2-CD2 4.47Å; F253-W288 AromaticContact CE2-CG 3.82Å; F253-W288 HydrophobicContact CE2-CG 3.82Å; F253-W288 HydrophobicContact CG-CD2 4.03Å; F253-W288 HydrophobicContact CG-CE3 4.16Å; F253-W288 HydrophobicContact CG-CG 4.22Å
254	G	98.6	Very high	98	Very high	3 Å²	3	41.8 Å²	41.8	3%	0.031	21%	0.21	C	C	.	.	H	α-helix	trans	-58.4	-39.9	172.7	0	0	0	0	0	113.3	Y250 G251 Q252 L257 R258	Y250-G254 PolarHBondContact O-N 2.97Å; G251-G254 CarbonylContact O-C 3.52Å; G251-G254 WeakPolarHBondContact O-CA 3.07Å; G251-G254 PolarHBondContact O-N 3.37Å; G251-G254 VanDerWaalsContact O-N 3.11Å; Q252-G254 VanDerWaalsContact C-N 3.35Å; G254-L257 PolarHBondContact O-N 3.16Å; G254-R258 PolarHBondContact O-N 2.99Å
255	D	98.5	Very high	98	Very high	48 Å²	48	45.5 Å²	45.5	26%	0.257	23%	0.23	S	C	.	.	H	α-helix	trans	-66	-44.8	174.8	-68.9	-23.4	0	0	0	112	Y221 G251 Q252 F253 L257 R258 N259	Y221-D255 VanDerWaalsContact CE1-OD2 3.27Å; Y221-D255 WeakPolarHBondContact CE1-OD2 3.47Å; Y221-D255 PolarHBondContact OH-OD2 3.09Å; G251-D255 PolarHBondContact O-N 3.13Å; Q252-D255 PolarHBondContact O-N 3.31Å; F253-D255 VanDerWaalsContact C-N 3.31Å; F253-D255 PolarHBondContact O-N 2.01Å; D255-L257 VanDerWaalsContact C-N 3.33Å; D255-L257 PolarHBondContact O-N 3.26Å; D255-R258 WeakPolarHBondContact O-CB 3.01Å; D255-R258 PolarHBondContact O-N 3.17Å; D255-R258 IonicContact OD1-CZ 3.21Å; D255-R258 VanDerWaalsContact OD1-CZ 3.29Å; D255-R258 IonicContact OD1-NH1 3.82Å; D255-R258 PolarHBondContact OD1-NH1 3.41Å; D255-R258 IonicContact OD1-NH2 3.02Å; D255-R258 PolarHBondContact OD1-NH2 2.87Å; D255-N259 PolarHBondContact O-N 3.29Å
256	W	98.5	Very high	98.1	Very high	54 Å²	54	44.6 Å²	44.6	21%	0.205	22%	0.223	C	C	.	.	H	α-helix	trans	-61.2	-41.7	175.1	179.1	94.2	0	0	0	111.9	F118 Q252 F253 R258 N259 N260 M284 W288	F118-W256 HydrophobicContact CD1-CH2 4.3Å; F118-W256 AromaticContact CD1-CZ2 3.92Å; F118-W256 HydrophobicContact CD1-CZ2 3.92Å; F118-W256 HydrophobicContact CD2-CH2 4.42Å; F118-W256 AromaticContact CE1-CE2 3.98Å; F118-W256 AromaticContact CE1-CH2 3.51Å; F118-W256 HydrophobicContact CE1-CH2 3.51Å; F118-W256 AromaticContact CE1-CZ2 3.3Å; F118-W256 HydrophobicContact CE1-CZ2 3.3Å; F118-W256 HydrophobicContact CE1-CZ3 4.34Å; F118-W256 AromaticContact CE2-CH2 3.67Å; F118-W256 HydrophobicContact CE2-CH2 3.67Å; F118-W256 HydrophobicContact CE2-CZ2 4.26Å; F118-W256 HydrophobicContact CE2-CZ3 4.39Å; F118-W256 AromaticContact CZ-CH2 3.13Å; F118-W256 HydrophobicContact CZ-CH2 3.13Å; F118-W256 AromaticContact CZ-CZ2 3.5Å; F118-W256 HydrophobicContact CZ-CZ2 3.5Å; F118-W256 AromaticContact CZ-CZ3 3.74Å; F118-W256 HydrophobicContact CZ-CZ3 3.74Å; Q252-W256 PolarHBondContact O-N 3.06Å; F253-W256 AromaticContact CD2-CE3 3.97Å; F253-W256 HydrophobicContact CD2-CE3 3.97Å; F253-W256 AromaticContact CE2-CE3 3.66Å; F253-W256 HydrophobicContact CE2-CE3 3.66Å; F253-W256 AromaticContact CE2-CZ3 3.83Å; F253-W256 HydrophobicContact CE2-CZ3 3.83Å; F253-W256 PolarHBondContact O-N 2.62Å; W256-R258 PolarHBondContact O-N 3.02Å; W256-N259 PolarHBondContact O-N 3.38Å; W256-N260 PolarHBondContact NE1-ND2 3.47Å; W256-N260 PolarHBondContact O-N 2.78Å; W256-N260 PolarHBondContact O-ND2 3.08Å; W256-M284 HydrophobicContact CH2-CE 4.22Å; W256-M284 HydrophobicContact CZ3-CE 3.88Å; W256-W288 AromaticContact CD1-CD1 3.88Å; W256-W288 AromaticContact CD1-NE1 3.81Å; W256-W288 AromaticContact CD2-CD1 3.56Å; W256-W288 AromaticContact CE3-CD1 3.96Å; W256-W288 AromaticContact CG-CD1 3.51Å; W256-W288 AromaticContact CG-NE1 3.47Å
257	L	98.7	Very high	98.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.3	-44.9	175.5	-77.6	173.8	0	0	0	111.2	F253 G254 D255 N259 N260 S261 V262 V264 L266 L281 M284	F253-L257 HydrophobicContact CD1-CD1 4.01Å; F253-L257 HydrophobicContact CD2-CD1 4.42Å; F253-L257 HydrophobicContact CD2-CG 4.09Å; F253-L257 HydrophobicContact CE1-CD1 3.66Å; F253-L257 HydrophobicContact CE1-CG 4.2Å; F253-L257 HydrophobicContact CE2-CD1 4.12Å; F253-L257 HydrophobicContact CE2-CD2 3.85Å; F253-L257 HydrophobicContact CE2-CG 3.72Å; F253-L257 HydrophobicContact CG-CD1 4.37Å; F253-L257 HydrophobicContact CG-CG 4.48Å; F253-L257 HydrophobicContact CZ-CD1 3.71Å; F253-L257 HydrophobicContact CZ-CD2 3.75Å; F253-L257 HydrophobicContact CZ-CG 3.77Å; F253-L257 WeakPolarHBondContact O-CB 3.48Å; F253-L257 VanDerWaalsContact O-CG 3.3Å; F253-L257 WeakPolarHBondContact O-CG 3.17Å; F253-L257 PolarHBondContact O-N 2.99Å; G254-L257 PolarHBondContact O-N 3.16Å; D255-L257 VanDerWaalsContact C-N 3.33Å; D255-L257 PolarHBondContact O-N 3.26Å; L257-N259 VanDerWaalsContact C-N 3.33Å; L257-N259 PolarHBondContact O-N 3.38Å; L257-N260 CarbonylContact O-C 3.32Å; L257-N260 WeakPolarHBondContact O-CA 3.4Å; L257-N260 PolarHBondContact O-N 3.08Å; L257-S261 PolarHBondContact O-N 3.3Å; L257-V262 CarbonylContact C-O 3.5Å; L257-V262 HydrophobicContact CB-CB 4.05Å; L257-V262 HydrophobicContact CB-CG1 4.39Å; L257-V262 WeakPolarHBondContact CB-O 3.33Å; L257-V262 HydrophobicContact CD2-CB 3.95Å; L257-V262 HydrophobicContact CD2-CG1 4Å; L257-V262 HydrophobicContact CD2-CG2 4.34Å; L257-V262 PolarHBondContact O-N 2.91Å; L257-V264 HydrophobicContact CD1-CG2 3.55Å; L257-L266 HydrophobicContact CD1-CD1 3.93Å; L257-L281 HydrophobicContact CD1-CD1 4.18Å; L257-L281 HydrophobicContact CD1-CD2 3.89Å; L257-L281 HydrophobicContact CD2-CD2 3.77Å; L257-M284 HydrophobicContact CD2-CE 3.69Å
258	R	98.4	Very high	98.2	Very high	124 Å²	124	45.4 Å²	45.4	47%	0.468	23%	0.23	S	C	.	.	H	α-helix	trans	-59.7	-44.1	177.2	-165.8	-175.2	-48.3	104.6	6.8	111.7	G254 D255 W256 N260 S261 V262	G254-R258 PolarHBondContact O-N 2.99Å; D255-R258 WeakPolarHBondContact O-CB 3.01Å; D255-R258 PolarHBondContact O-N 3.17Å; D255-R258 IonicContact OD1-CZ 3.21Å; D255-R258 VanDerWaalsContact OD1-CZ 3.29Å; D255-R258 IonicContact OD1-NH1 3.82Å; D255-R258 PolarHBondContact OD1-NH1 3.41Å; D255-R258 IonicContact OD1-NH2 3.02Å; D255-R258 PolarHBondContact OD1-NH2 2.87Å; W256-R258 PolarHBondContact O-N 3.02Å; R258-N260 PolarHBondContact O-N 2.89Å; R258-S261 PolarHBondContact O-N 3.47Å; R258-S261 VanDerWaalsContact O-N 3.13Å; R258-V262 PolarHBondContact N-O 3.28Å
259	N	98.1	Very high	98.2	Very high	132 Å²	132	46.7 Å²	46.7	71%	0.706	24%	0.237	S	C	*	.	H	α-helix	trans	-64.9	-18.8	174.7	-68.3	-17.6	0	0	0	112.9	D255 W256 L257	D255-N259 PolarHBondContact O-N 3.29Å; W256-N259 PolarHBondContact O-N 3.38Å; L257-N259 VanDerWaalsContact C-N 3.33Å; L257-N259 PolarHBondContact O-N 3.38Å
260	N	97.8	Very high	98.3	Very high	33 Å²	33	46.3 Å²	46.3	18%	0.176	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	22.9	175.9	-77.3	-78.7	0	0	0	113.7	R73 Y117 W256 L257 R258 V262	R73-N260 VanDerWaalsContact NH2-C 3.35Å; R73-N260 PolarHBondContact NH2-O 3.17Å; Y117-N260 HydrophobicContact CD1-CB 4.32Å; W256-N260 PolarHBondContact NE1-ND2 3.47Å; W256-N260 PolarHBondContact O-N 2.78Å; W256-N260 PolarHBondContact O-ND2 3.08Å; L257-N260 CarbonylContact O-C 3.32Å; L257-N260 WeakPolarHBondContact O-CA 3.4Å; L257-N260 PolarHBondContact O-N 3.08Å; R258-N260 PolarHBondContact O-N 2.89Å; N260-V262 VanDerWaalsContact C-N 3.3Å; N260-V262 PolarHBondContact O-N 3.41Å
261	S	98.1	Very high	98.3	Very high	82 Å²	82	46.3 Å²	46.3	57%	0.573	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.5	34.2	177.1	-52.5	0	0	0	0	113.8	N71 L257 R258	N71-S261 PolarHBondContact ND2-O 3.02Å; N71-S261 PolarHBondContact OD1-O 3.45Å; L257-S261 PolarHBondContact O-N 3.3Å; R258-S261 PolarHBondContact O-N 3.47Å; R258-S261 VanDerWaalsContact O-N 3.13Å
262	V	98.4	Very high	98.3	Very high	5 Å²	5	48.5 Å²	48.5	3%	0.03	25%	0.245	C	C	.	.			trans	-121.2	102.6	172.3	-177.8	0	0	0	0	108.1	Y117 L257 R258 N260 V264 P279 L281	Y117-V262 HydrophobicContact CE1-CG2 3.85Å; L257-V262 CarbonylContact C-O 3.5Å; L257-V262 HydrophobicContact CB-CB 4.05Å; L257-V262 HydrophobicContact CB-CG1 4.39Å; L257-V262 WeakPolarHBondContact CB-O 3.33Å; L257-V262 HydrophobicContact CD2-CB 3.95Å; L257-V262 HydrophobicContact CD2-CG1 4Å; L257-V262 HydrophobicContact CD2-CG2 4.34Å; L257-V262 PolarHBondContact O-N 2.91Å; R258-V262 PolarHBondContact N-O 3.28Å; N260-V262 VanDerWaalsContact C-N 3.3Å; N260-V262 PolarHBondContact O-N 3.41Å; V262-V264 PolarHBondContact O-N 3.44Å; V262-P279 HydrophobicContact CG1-CG 4.06Å; V262-P279 HydrophobicContact CG2-CG 3.65Å; V262-L281 HydrophobicContact CG1-CD2 4.31Å
263	N	97.8	Very high	98.4	Very high	141 Å²	141	45.9 Å²	45.9	75%	0.754	23%	0.233	S	C	*	.			trans	-92	106.1	-176.5	-168.4	24.4	0	0	0	111
264	V	98.1	Very high	98.3	Very high	15 Å²	15	46.1 Å²	46.1	9%	0.091	23%	0.234	C	C	.	.			trans	-142	149.4	174.1	-69	0	0	0	0	109.6	L257 V262 L266 L272 K276 L281	L257-V264 HydrophobicContact CD1-CG2 3.55Å; V262-V264 PolarHBondContact O-N 3.44Å; V264-L266 HydrophobicContact CB-CD2 4.4Å; V264-L266 HydrophobicContact CG2-CD1 4.49Å; V264-L266 HydrophobicContact CG2-CD2 4Å; V264-L266 HydrophobicContact CG2-CG 3.88Å; V264-L272 HydrophobicContact CB-CD1 4.12Å; V264-L272 HydrophobicContact CG1-CD1 4.22Å; V264-K276 HydrophobicContact CG1-CD 3.63Å; V264-L281 HydrophobicContact CG1-CD1 4.29Å; V264-L281 HydrophobicContact CG2-CD1 4.12Å
265	D	98.2	Very high	98.2	Very high	78 Å²	78	48.5 Å²	48.5	42%	0.417	25%	0.248	S	C	.	.			trans	-105	88.6	172.7	-174.8	-12.8	0	0	0	109.1	L267 K268 H269	D265-L267 VanDerWaalsContact C-N 3.26Å; D265-L267 PolarHBondContact O-N 3.32Å; D265-L267 PolarHBondContact OD1-N 3.49Å; D265-L267 VanDerWaalsContact OD1-N 3.14Å; D265-K268 HydrophobicContact CB-CB 4.27Å; D265-K268 VanDerWaalsContact CG-CB 3.41Å; D265-K268 PolarHBondContact OD1-N 2.91Å; D265-K268 VanDerWaalsContact OD2-CB 3.24Å; D265-K268 WeakPolarHBondContact OD2-CB 3.41Å; D265-H269 WeakPolarHBondContact O-CA 3.07Å; D265-H269 WeakPolarHBondContact O-CB 3.26Å; D265-H269 PolarHBondContact O-N 3.49Å
266	L	98.7	Very high	98.2	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.01	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-14.4	179.7	-65.9	-172	0	0	0	113.2	Y250 F253 L257 V264 P270 L272 L281	Y250-L266 HydrophobicContact CD1-CB 4.19Å; F253-L266 HydrophobicContact CD1-CD1 3.48Å; F253-L266 VanDerWaalsContact CD1-CD1 3.48Å; F253-L266 HydrophobicContact CE1-CD1 4.01Å; F253-L266 HydrophobicContact CG-CD1 4.35Å; L257-L266 HydrophobicContact CD1-CD1 3.93Å; V264-L266 HydrophobicContact CB-CD2 4.4Å; V264-L266 HydrophobicContact CG2-CD1 4.49Å; V264-L266 HydrophobicContact CG2-CD2 4Å; V264-L266 HydrophobicContact CG2-CG 3.88Å; L266-P270 WeakPolarHBondContact O-CA 3.38Å; L266-P270 VanDerWaalsContact O-CB 3.27Å; L266-P270 WeakPolarHBondContact O-CB 3.34Å; L266-L272 HydrophobicContact CD2-CB 3.79Å; L266-L281 HydrophobicContact CD2-CD1 4.24Å
267	L	98.5	Very high	98.1	Very high	28 Å²	28	46.7 Å²	46.7	15%	0.147	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-43	172.8	-70.1	175.4	0	0	0	110.2	Y221 H224 Y236 N247 D265	Y221-L267 HydrophobicContact CD1-CD1 4.31Å; H224-L267 WeakPolarHBondContact CB-O 3.4Å; Y236-L267 HydrophobicContact CE1-CD2 4.34Å; Y236-L267 WeakPolarHBondContact CE1-O 3.48Å; Y236-L267 PolarHBondContact OH-O 2.97Å; N247-L267 HydrophobicContact CB-CD2 4.22Å; N247-L267 VanDerWaalsContact O-CD2 3.22Å; N247-L267 WeakPolarHBondContact O-CD2 3.46Å; D265-L267 VanDerWaalsContact C-N 3.26Å; D265-L267 PolarHBondContact O-N 3.32Å; D265-L267 PolarHBondContact OD1-N 3.49Å; D265-L267 VanDerWaalsContact OD1-N 3.14Å
268	K	98.3	Very high	98	Very high	88 Å²	88	50 Å²	50	38%	0.383	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-36.7	178.8	-168.6	176.5	-179.4	176.7	0	113.3	D265 P270	D265-K268 HydrophobicContact CB-CB 4.27Å; D265-K268 VanDerWaalsContact CG-CB 3.41Å; D265-K268 PolarHBondContact OD1-N 2.91Å; D265-K268 VanDerWaalsContact OD2-CB 3.24Å; D265-K268 WeakPolarHBondContact OD2-CB 3.41Å; K268-P270 VanDerWaalsContact C-CD 3.46Å; K268-P270 WeakPolarHBondContact O-CD 3.43Å
269	H	98.5	Very high	98	Very high	76 Å²	76	44.2 Å²	44.2	35%	0.352	24%	0.237	S	C	.	.			trans	-126.6	67.7	-176.4	-59.2	-70.9	0	0	0	110.8	D265 N271 L272	D265-H269 WeakPolarHBondContact O-CA 3.07Å; D265-H269 WeakPolarHBondContact O-CB 3.26Å; D265-H269 PolarHBondContact O-N 3.49Å; H269-N271 PolarHBondContact O-N 3.09Å; H269-L272 HydrophobicContact CB-CD1 3.66Å; H269-L272 HydrophobicContact CB-CG 3.83Å; H269-L272 WeakPolarHBondContact O-CB 3.41Å; H269-L272 WeakPolarHBondContact O-CG 3.4Å; H269-L272 PolarHBondContact O-N 3.12Å; H269-L272 VanDerWaalsContact O-N 3.09Å
270	P	98.6	Very high	98	Very high	3 Å²	3	38 Å²	38	2%	0.019	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-23.5	-171.1	31	-39.1	0	0	0	112.9	C235 Y236 R239 Y250 L266 K268 L272 L273	C235-P270 HydrophobicContact CB-CG 4.42Å; C235-P270 WeakPolarHBondContact O-CB 3.34Å; C235-P270 WeakPolarHBondContact O-CG 3.37Å; Y236-P270 HydrophobicContact CD1-CB 3.9Å; Y236-P270 HydrophobicContact CD1-CG 4.44Å; Y236-P270 HydrophobicContact CE1-CB 3.93Å; Y236-P270 HydrophobicContact CE1-CG 4.24Å; R239-P270 PolarHBondContact NH1-O 3.21Å; Y250-P270 HydrophobicContact CD1-CB 3.89Å; Y250-P270 HydrophobicContact CE1-CB 3.94Å; L266-P270 WeakPolarHBondContact O-CA 3.38Å; L266-P270 VanDerWaalsContact O-CB 3.27Å; L266-P270 WeakPolarHBondContact O-CB 3.34Å; K268-P270 VanDerWaalsContact C-CD 3.46Å; K268-P270 WeakPolarHBondContact O-CD 3.43Å; P270-L272 PolarHBondContact O-N 3.22Å; P270-L273 WeakPolarHBondContact O-CB 3.3Å; P270-L273 PolarHBondContact O-N 2.74Å
271	N	98.5	Very high	98.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-7.9	176.2	-159.6	43.5	0	0	0	114.8	P198 K199 G201 E202 H269 L273 M274 T275	P198-N271 PolarHBondContact O-ND2 3.25Å; P198-N271 PolarHBondContact O-OD1 2.75Å; K199-N271 PolarHBondContact O-ND2 3.38Å; G201-N271 WeakPolarHBondContact CA-OD1 3Å; G201-N271 WeakPolarHBondContact O-CB 3.44Å; E202-N271 PolarHBondContact N-ND2 3.2Å; H269-N271 PolarHBondContact O-N 3.09Å; N271-L273 PolarHBondContact O-N 3.14Å; N271-L273 VanDerWaalsContact O-N 3.16Å; N271-M274 PolarHBondContact O-N 2.95Å; N271-T275 PolarHBondContact O-N 2.05Å; N271-T275 VanDerWaalsContact O-N 3.15Å; N271-T275 PolarHBondContact O-OG1 3.22Å
272	L	98.6	Very high	98.1	Very high	51 Å²	51	32.7 Å²	32.7	27%	0.267	17%	0.169	S	C	.	.	H	α-helix	trans	-57.3	-26.5	167.8	-72.9	175.8	0	0	0	111.8	V264 L266 H269 P270 M274 T275 K276	V264-L272 HydrophobicContact CB-CD1 4.12Å; V264-L272 HydrophobicContact CG1-CD1 4.22Å; L266-L272 HydrophobicContact CD2-CB 3.79Å; H269-L272 HydrophobicContact CB-CD1 3.66Å; H269-L272 HydrophobicContact CB-CG 3.83Å; H269-L272 WeakPolarHBondContact O-CB 3.41Å; H269-L272 WeakPolarHBondContact O-CG 3.4Å; H269-L272 PolarHBondContact O-N 3.12Å; H269-L272 VanDerWaalsContact O-N 3.09Å; P270-L272 PolarHBondContact O-N 3.22Å; L272-M274 PolarHBondContact O-N 2.76Å; L272-T275 WeakPolarHBondContact CA-OG1 3.43Å; L272-T275 PolarHBondContact O-N 3.3Å; L272-K276 WeakPolarHBondContact O-CB 3.49Å; L272-K276 PolarHBondContact O-N 3.22Å
273	L	98.6	Very high	98.1	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-54.2	-37	173.7	-175.3	63.8	0	0	0	112.3	R239 L244 Y250 F253 P270 N271 L281 A282	R239-L273 HydrophobicContact CB-CD2 3.97Å; R239-L273 HydrophobicContact CG-CD2 4.49Å; L244-L273 HydrophobicContact CB-CD2 3.95Å; L244-L273 HydrophobicContact CD2-CD1 4.36Å; L244-L273 HydrophobicContact CD2-CD2 3.92Å; Y250-L273 HydrophobicContact CE1-CB 4.27Å; Y250-L273 HydrophobicContact CE1-CD2 3.69Å; Y250-L273 WeakPolarHBondContact OH-CD2 3.4Å; F253-L273 HydrophobicContact CD1-CD1 4.19Å; F253-L273 HydrophobicContact CE1-CD1 3.72Å; P270-L273 WeakPolarHBondContact O-CB 3.3Å; P270-L273 PolarHBondContact O-N 2.74Å; N271-L273 PolarHBondContact O-N 3.14Å; N271-L273 VanDerWaalsContact O-N 3.16Å; L273-L281 HydrophobicContact CD1-CB 4.22Å; L273-L281 WeakPolarHBondContact CD1-O 3.35Å; L273-L281 CarbonylContact O-C 3.17Å; L273-L281 VanDerWaalsContact O-C 3.3Å; L273-A282 WeakPolarHBondContact O-CA 3.28Å; L273-A282 WeakPolarHBondContact O-CB 3.39Å; L273-A282 PolarHBondContact O-N 3.26Å
274	M	97.6	Very high	98.1	Very high	4 Å²	4	25.7 Å²	25.7	2%	0.02	13%	0.132	C	C	.	.	H	α-helix	trans	-99.5	-24	-178.1	-65.3	-53.6	-52.4	0	0	114.1	P105 W179 F180 P198 R239 G240 N271 L272 A282	P105-M274 HydrophobicContact CB-CE 3.63Å; P105-M274 HydrophobicContact CG-CE 3.64Å; W179-M274 HydrophobicContact CB-CE 3.71Å; W179-M274 HydrophobicContact CG-CE 3.79Å; F180-M274 HydrophobicContact CD1-CG 4.46Å; F180-M274 HydrophobicContact CE1-CB 4.36Å; F180-M274 HydrophobicContact CE1-CG 3.75Å; F180-M274 HydrophobicContact CZ-CB 4.5Å; F180-M274 HydrophobicContact CZ-CG 4.31Å; P198-M274 HydrophobicContact CB-CB 4.18Å; R239-M274 HydrophobicContact CB-CG 3.76Å; R239-M274 HydrophobicContact CB-SD 3.78Å; R239-M274 HydrophobicContact CG-CG 4.36Å; G240-M274 PolarHBondContact N-SD 3.22Å; G240-M274 VanDerWaalsContact N-SD 3.37Å; N271-M274 PolarHBondContact O-N 2.95Å; L272-M274 PolarHBondContact O-N 2.76Å; M274-A282 HydrophobicContact CE-CB 3.88Å; M274-A282 HydrophobicContact SD-CB 3.84Å
275	T	96.6	Very high	98.1	Very high	54 Å²	54	25 Å²	25	33%	0.331	13%	0.128	S	C	.	.	H	α-helix	trans	-100.8	-22.6	-171.4	52.7	0	0	0	0	114	P198 K199 N271 L272	P198-T275 HydrophobicContact CB-CG2 4.3Å; P198-T275 WeakPolarHBondContact O-CG2 3.43Å; K199-T275 HydrophobicContact CB-CG2 4.48Å; N271-T275 PolarHBondContact O-N 2.05Å; N271-T275 VanDerWaalsContact O-N 3.15Å; N271-T275 PolarHBondContact O-OG1 3.22Å; L272-T275 WeakPolarHBondContact CA-OG1 3.43Å; L272-T275 PolarHBondContact O-N 3.3Å
276	K	97.1	Very high	98.1	Very high	44 Å²	44	21.4 Å²	21.4	19%	0.191	11%	0.109	C	C	.	.			trans	-82.1	126.8	179.1	-173.7	173.8	171.5	61.5	0	111.3	V264 L272 D278 L281	V264-K276 HydrophobicContact CG1-CD 3.63Å; L272-K276 WeakPolarHBondContact O-CB 3.49Å; L272-K276 PolarHBondContact O-N 3.22Å; K276-D278 WeakPolarHBondContact CE-O 3.35Å; K276-D278 WeakPolarHBondContact CG-OD1 3.44Å; K276-D278 PolarHBondContact NZ-O 3.05Å; K276-D278 IonicContact NZ-OD1 3.91Å; K276-D278 PolarHBondContact NZ-OD1 2.92Å; K276-D278 IonicContact NZ-OD2 3.56Å; K276-L281 HydrophobicContact CB-CD1 4.02Å; K276-L281 HydrophobicContact CB-CG 4.02Å; K276-L281 HydrophobicContact CD-CD1 3.81Å; K276-L281 HydrophobicContact CD-CG 4.03Å; K276-L281 HydrophobicContact CG-CD1 4.37Å; K276-L281 HydrophobicContact CG-CG 4.23Å; K276-L281 PolarHBondContact O-N 3.23Å
277	T	96.8	Very high	98.1	Very high	19 Å²	19	21.3 Å²	21.3	12%	0.117	11%	0.108	C	C	.	.	B	Isolated β-bridge	trans	-114.1	3.3	-179.6	60.4	0	0	0	0	114.2	S65 P67 K68 P279	S65-T277 WeakPolarHBondContact O-CB 3.37Å; S65-T277 WeakPolarHBondContact O-CG2 3.49Å; S65-T277 PolarHBondContact O-OG1 3.3Å; P67-T277 CarbonylContact C-O 3.56Å; P67-T277 VanDerWaalsContact CA-O 3.26Å; P67-T277 WeakPolarHBondContact CA-O 3.42Å; K68-T277 PolarHBondContact N-O 3.19Å; T277-P279 CarbonylContact C-O 3.56Å; T277-P279 CarbonylContact O-C 3.56Å
278	D	97.3	Very high	98.1	Very high	71 Å²	71	20.2 Å²	20.2	38%	0.38	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-134.3	69.9	-174.9	65.7	-24.1	0	0	0	113.4	K68 P70 K276	K68-D278 HydrophobicContact CB-CB 4.09Å; K68-D278 WeakPolarHBondContact O-CA 3.44Å; P70-D278 WeakPolarHBondContact CG-O 3.29Å; K276-D278 WeakPolarHBondContact CE-O 3.35Å; K276-D278 WeakPolarHBondContact CG-OD1 3.44Å; K276-D278 PolarHBondContact NZ-O 3.05Å; K276-D278 IonicContact NZ-OD1 3.91Å; K276-D278 PolarHBondContact NZ-OD1 2.92Å; K276-D278 IonicContact NZ-OD2 3.56Å
279	P	98.2	Very high	98	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.006	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	cis	-88	165.7	6.4	36.1	-35.3	0	0	0	113.6	K68 I113 Y117 V262 T277 L281 M284	K68-P279 WeakPolarHBondContact O-CA 3.37Å; I113-P279 HydrophobicContact CG2-CB 4.38Å; Y117-P279 HydrophobicContact CE1-CG 4.49Å; Y117-P279 HydrophobicContact CE2-CB 4.05Å; Y117-P279 HydrophobicContact CE2-CG 4.42Å; V262-P279 HydrophobicContact CG1-CG 4.06Å; V262-P279 HydrophobicContact CG2-CG 3.65Å; T277-P279 CarbonylContact C-O 3.56Å; T277-P279 CarbonylContact O-C 3.56Å; P279-L281 HydrophobicContact CG-CD2 4.33Å; P279-L281 PolarHBondContact O-N 3.43Å; P279-M284 HydrophobicContact CB-SD 3.49Å; P279-M284 WeakPolarHBondContact CB-SD 3.34Å; P279-M284 HydrophobicContact CG-CE 3.99Å; P279-M284 HydrophobicContact CG-SD 3.43Å; P279-M284 WeakPolarHBondContact CG-SD 3.35Å
280	P	98.2	Very high	97.9	Very high	2 Å²	2	13.6 Å²	13.6	1%	0.013	7%	0.073	C	C	.	.	B	Isolated β-bridge	trans	-67.5	92.8	-177.5	29	-38.4	0	0	0	112.7	S110 I113 A114 A282 M284	S110-P280 WeakPolarHBondContact O-CG 3.3Å; I113-P280 HydrophobicContact CB-CG 4.05Å; I113-P280 HydrophobicContact CG2-CG 3.91Å; A114-P280 HydrophobicContact CB-CG 4.41Å; P280-A282 VanDerWaalsContact C-N 3.31Å; P280-A282 PolarHBondContact O-N 3.31Å; P280-M284 WeakPolarHBondContact O-CG 3.22Å; P280-M284 PolarHBondContact O-N 3.33Å
281	L	98.7	Very high	97.7	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-67.9	-28.2	-172.2	-65.5	-167.1	0	0	0	113.7	L257 V262 V264 L266 L273 K276 P279 I283 M284 G285	L257-L281 HydrophobicContact CD1-CD1 4.18Å; L257-L281 HydrophobicContact CD1-CD2 3.89Å; L257-L281 HydrophobicContact CD2-CD2 3.77Å; V262-L281 HydrophobicContact CG1-CD2 4.31Å; V264-L281 HydrophobicContact CG1-CD1 4.29Å; V264-L281 HydrophobicContact CG2-CD1 4.12Å; L266-L281 HydrophobicContact CD2-CD1 4.24Å; L273-L281 HydrophobicContact CD1-CB 4.22Å; L273-L281 WeakPolarHBondContact CD1-O 3.35Å; L273-L281 CarbonylContact O-C 3.17Å; L273-L281 VanDerWaalsContact O-C 3.3Å; K276-L281 HydrophobicContact CB-CD1 4.02Å; K276-L281 HydrophobicContact CB-CG 4.02Å; K276-L281 HydrophobicContact CD-CD1 3.81Å; K276-L281 HydrophobicContact CD-CG 4.03Å; K276-L281 HydrophobicContact CG-CD1 4.37Å; K276-L281 HydrophobicContact CG-CG 4.23Å; K276-L281 PolarHBondContact O-N 3.23Å; P279-L281 HydrophobicContact CG-CD2 4.33Å; P279-L281 PolarHBondContact O-N 3.43Å; L281-I283 VanDerWaalsContact C-N 3.33Å; L281-I283 PolarHBondContact O-N 3.3Å; L281-M284 HydrophobicContact CD2-SD 4.11Å; L281-M284 PolarHBondContact O-N 2.79Å; L281-G285 PolarHBondContact O-N 2.84Å
282	A	98.3	Very high	97.5	Very high	3 Å²	3	16.3 Å²	16.3	3%	0.025	9%	0.087	C	C	.	.	H	α-helix	trans	-61	-42	-176	0	0	0	0	0	112.3	P105 Y106 L273 M274 P280 S286	P105-A282 HydrophobicContact CB-CB 3.9Å; Y106-A282 HydrophobicContact CE1-CB 4.29Å; L273-A282 WeakPolarHBondContact O-CA 3.28Å; L273-A282 WeakPolarHBondContact O-CB 3.39Å; L273-A282 PolarHBondContact O-N 3.26Å; M274-A282 HydrophobicContact CE-CB 3.88Å; M274-A282 HydrophobicContact SD-CB 3.84Å; P280-A282 VanDerWaalsContact C-N 3.31Å; P280-A282 PolarHBondContact O-N 3.31Å; A282-S286 PolarHBondContact O-OG 3.18Å
283	I	98.5	Very high	97.2	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-79.9	-41.5	173.9	-58.4	-64.7	0	0	0	110.8	Y106 F111 A114 F176 L281 G285 S286 I287	Y106-I283 HydrophobicContact CD1-CD1 3.55Å; Y106-I283 HydrophobicContact CD1-CG1 4.36Å; Y106-I283 HydrophobicContact CE1-CD1 4.11Å; F111-I283 HydrophobicContact CD2-CG2 3.75Å; F111-I283 HydrophobicContact CE2-CG2 4.38Å; A114-I283 HydrophobicContact CB-CB 3.79Å; A114-I283 HydrophobicContact CB-CG2 3.56Å; F176-I283 HydrophobicContact CD1-CD1 4.05Å; F176-I283 HydrophobicContact CE1-CD1 3.51Å; F176-I283 HydrophobicContact CZ-CD1 4.43Å; L281-I283 VanDerWaalsContact C-N 3.33Å; L281-I283 PolarHBondContact O-N 3.3Å; I283-G285 VanDerWaalsContact C-N 3.33Å; I283-G285 PolarHBondContact O-N 2.88Å; I283-S286 WeakPolarHBondContact O-CA 3.35Å; I283-S286 WeakPolarHBondContact O-CB 3.31Å; I283-S286 PolarHBondContact O-N 2.79Å; I283-I287 HydrophobicContact CG2-CD1 3.76Å; I283-I287 HydrophobicContact CG2-CG1 4.1Å; I283-I287 PolarHBondContact O-N 2.96Å
284	M	98.6	Very high	96.5	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-59.5	-41.6	-178.7	-71.7	176.9	66.9	0	0	112.8	A114 Y117 F118 F253 W256 L257 P279 P280 L281 S286 I287 W288	A114-M284 HydrophobicContact CB-CB 4.3Å; A114-M284 HydrophobicContact CB-CG 3.38Å; Y117-M284 HydrophobicContact CD1-CE 3.66Å; Y117-M284 HydrophobicContact CD2-CE 3.93Å; Y117-M284 HydrophobicContact CD2-SD 4.28Å; Y117-M284 HydrophobicContact CE1-CE 4.13Å; Y117-M284 HydrophobicContact CE2-CE 4.41Å; Y117-M284 HydrophobicContact CG-CE 3.56Å; Y117-M284 HydrophobicContact CG-SD 4.48Å; F118-M284 HydrophobicContact CE2-CB 4.44Å; F253-M284 HydrophobicContact CZ-CB 3.94Å; W256-M284 HydrophobicContact CH2-CE 4.22Å; W256-M284 HydrophobicContact CZ3-CE 3.88Å; L257-M284 HydrophobicContact CD2-CE 3.69Å; P279-M284 HydrophobicContact CB-SD 3.49Å; P279-M284 WeakPolarHBondContact CB-SD 3.34Å; P279-M284 HydrophobicContact CG-CE 3.99Å; P279-M284 HydrophobicContact CG-SD 3.43Å; P279-M284 WeakPolarHBondContact CG-SD 3.35Å; P280-M284 WeakPolarHBondContact O-CG 3.22Å; P280-M284 PolarHBondContact O-N 3.33Å; L281-M284 HydrophobicContact CD2-SD 4.11Å; L281-M284 PolarHBondContact O-N 2.79Å; M284-S286 PolarHBondContact O-N 3.09Å; M284-I287 PolarHBondContact O-N 2.87Å; M284-W288 VanDerWaalsContact O-CB 3.23Å; M284-W288 WeakPolarHBondContact O-CB 3.1Å; M284-W288 PolarHBondContact O-N 2.74Å
285	G	98.6	Very high	95.7	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.01	14%	0.135	C	C	.	.	H	α-helix	trans	-64.2	-33.4	176.2	0	0	0	0	0	112.2	F253 L281 I283 F289	F253-G285 VanDerWaalsContact CE1-CA 3.43Å; F253-G285 VanDerWaalsContact CZ-N 3.29Å; L281-G285 PolarHBondContact O-N 2.84Å; I283-G285 VanDerWaalsContact C-N 3.33Å; I283-G285 PolarHBondContact O-N 2.88Å; G285-F289 WeakPolarHBondContact O-CB 3.24Å; G285-F289 PolarHBondContact O-N 3.47Å
286	S	98.3	Very high	95.1	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.007	16%	0.161	C	C	.	.	H	α-helix	trans	-68.8	-47.8	176.1	-54.1	0	0	0	0	111.5	A241 I242 A282 I283 M284 W288 F289 Y290	A241-S286 WeakPolarHBondContact CB-OG 3.4Å; A241-S286 PolarHBondContact N-OG 3.24Å; I242-S286 PolarHBondContact N-OG 3.19Å; A282-S286 PolarHBondContact O-OG 3.18Å; I283-S286 WeakPolarHBondContact O-CA 3.35Å; I283-S286 WeakPolarHBondContact O-CB 3.31Å; I283-S286 PolarHBondContact O-N 2.79Å; M284-S286 PolarHBondContact O-N 3.09Å; S286-W288 VanDerWaalsContact C-N 3.33Å; S286-F289 PolarHBondContact O-N 2.67Å; S286-Y290 WeakPolarHBondContact O-CB 3.33Å; S286-Y290 PolarHBondContact O-N 3.47Å
287	I	98.3	Very high	94.5	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-64.9	-40.8	176.7	-60.8	173	0	0	0	110.2	F111 A114 A115 F118 F121 F143 I283 M284 F289 Y290 M291	F111-I287 HydrophobicContact CE2-CD1 4.47Å; A114-I287 HydrophobicContact CB-CD1 4.05Å; A115-I287 HydrophobicContact CB-CD1 4.43Å; F118-I287 HydrophobicContact CB-CG2 3.98Å; F118-I287 HydrophobicContact CD1-CG2 3.88Å; F118-I287 HydrophobicContact CD2-CB 3.95Å; F118-I287 HydrophobicContact CD2-CD1 4.46Å; F118-I287 HydrophobicContact CD2-CG2 3.41Å; F118-I287 VanDerWaalsContact CD2-CG2 3.41Å; F118-I287 HydrophobicContact CE1-CG2 4.2Å; F118-I287 HydrophobicContact CE2-CB 3.85Å; F118-I287 HydrophobicContact CE2-CG2 3.78Å; F118-I287 HydrophobicContact CG-CB 4.44Å; F118-I287 HydrophobicContact CG-CG2 3.47Å; F118-I287 VanDerWaalsContact CG-CG2 3.47Å; F118-I287 HydrophobicContact CZ-CB 4.25Å; F118-I287 HydrophobicContact CZ-CG2 4.16Å; F121-I287 HydrophobicContact CB-CG2 4.43Å; F121-I287 HydrophobicContact CD1-CD1 4Å; F121-I287 HydrophobicContact CD1-CG1 4.49Å; F121-I287 HydrophobicContact CD1-CG2 4.11Å; F121-I287 HydrophobicContact CD2-CG2 4.33Å; F121-I287 HydrophobicContact CE1-CD1 3.83Å; F121-I287 HydrophobicContact CE1-CG1 4.16Å; F121-I287 HydrophobicContact CE1-CG2 4.49Å; F121-I287 HydrophobicContact CG-CG2 4.03Å; F121-I287 HydrophobicContact CZ-CG1 4.49Å; F143-I287 HydrophobicContact CE2-CG1 3.88Å; F143-I287 HydrophobicContact CZ-CG1 3.88Å; I283-I287 HydrophobicContact CG2-CD1 3.76Å; I283-I287 HydrophobicContact CG2-CG1 4.1Å; I283-I287 PolarHBondContact O-N 2.96Å; M284-I287 PolarHBondContact O-N 2.87Å; I287-F289 VanDerWaalsContact C-N 3.35Å; I287-F289 PolarHBondContact O-N 3.21Å; I287-Y290 WeakPolarHBondContact O-CB 3.25Å; I287-Y290 PolarHBondContact O-N 3.18Å; I287-M291 HydrophobicContact CG2-CG 4.15Å; I287-M291 HydrophobicContact CG2-SD 3.68Å; I287-M291 WeakPolarHBondContact O-CB 3.45Å; I287-M291 WeakPolarHBondContact O-CG 3.42Å; I287-M291 PolarHBondContact O-N 3.3Å
288	W	98.3	Very high	94.2	Very high	5 Å²	5	28.4 Å²	28.4	2%	0.019	17%	0.166	C	C	.	.	H	α-helix	trans	-55.6	-50	175	176.6	81.7	0	0	0	111.4	F118 L244 Q252 F253 W256 M284 S286 Y290 M291 T292	F118-W288 HydrophobicContact CE1-CB 4.02Å; F118-W288 HydrophobicContact CZ-CB 3.78Å; L244-W288 HydrophobicContact CD1-CE3 3.92Å; L244-W288 HydrophobicContact CD1-CZ3 3.64Å; Q252-W288 HydrophobicContact CB-CH2 3.76Å; Q252-W288 HydrophobicContact CB-CZ2 3.74Å; F253-W288 HydrophobicContact CB-CD2 3.88Å; F253-W288 HydrophobicContact CB-CE3 3.83Å; F253-W288 HydrophobicContact CB-CH2 4.18Å; F253-W288 HydrophobicContact CB-CZ2 4.21Å; F253-W288 HydrophobicContact CB-CZ3 4Å; F253-W288 HydrophobicContact CD2-CB 3.63Å; F253-W288 AromaticContact CD2-CD1 3.71Å; F253-W288 AromaticContact CD2-CD2 3.57Å; F253-W288 HydrophobicContact CD2-CD2 3.57Å; F253-W288 HydrophobicContact CD2-CE3 4.12Å; F253-W288 AromaticContact CD2-CG 3.32Å; F253-W288 HydrophobicContact CD2-CG 3.32Å; F253-W288 HydrophobicContact CE2-CB 3.62Å; F253-W288 HydrophobicContact CE2-CD2 4.47Å; F253-W288 AromaticContact CE2-CG 3.82Å; F253-W288 HydrophobicContact CE2-CG 3.82Å; F253-W288 HydrophobicContact CG-CD2 4.03Å; F253-W288 HydrophobicContact CG-CE3 4.16Å; F253-W288 HydrophobicContact CG-CG 4.22Å; W256-W288 AromaticContact CD1-CD1 3.88Å; W256-W288 AromaticContact CD1-NE1 3.81Å; W256-W288 AromaticContact CD2-CD1 3.56Å; W256-W288 AromaticContact CE3-CD1 3.96Å; W256-W288 AromaticContact CG-CD1 3.51Å; W256-W288 AromaticContact CG-NE1 3.47Å; M284-W288 VanDerWaalsContact O-CB 3.23Å; M284-W288 WeakPolarHBondContact O-CB 3.1Å; M284-W288 PolarHBondContact O-N 2.74Å; S286-W288 VanDerWaalsContact C-N 3.33Å; W288-Y290 VanDerWaalsContact C-N 3.31Å; W288-Y290 PolarHBondContact O-N 2.99Å; W288-M291 CarbonylContact O-C 3.59Å; W288-M291 PolarHBondContact O-N 3.21Å; W288-T292 HydrophobicContact CH2-CG2 4.41Å; W288-T292 HydrophobicContact CZ2-CG2 3.83Å; W288-T292 PolarHBondContact NE1-OG1 3.27Å; W288-T292 WeakPolarHBondContact O-CB 3.4Å; W288-T292 PolarHBondContact O-N 2.93Å; W288-T292 PolarHBondContact O-OG1 3.34Å
289	F	96.3	Very high	94	Very high	26 Å²	26	25 Å²	25	11%	0.114	15%	0.148	C	C	.	.	H	α-helix	trans	-63.1	-39.6	179.1	-169.1	-89.4	0	0	0	111.7	I242 L244 G285 S286 I287 M291 M300 I334	I242-F289 HydrophobicContact CG2-CB 4.24Å; I242-F289 HydrophobicContact CG2-CD1 3.52Å; I242-F289 HydrophobicContact CG2-CE1 4.17Å; I242-F289 HydrophobicContact CG2-CG 4.1Å; L244-F289 HydrophobicContact CD1-CB 4.44Å; L244-F289 HydrophobicContact CD1-CD2 3.89Å; G285-F289 WeakPolarHBondContact O-CB 3.24Å; G285-F289 PolarHBondContact O-N 3.47Å; S286-F289 PolarHBondContact O-N 2.67Å; I287-F289 VanDerWaalsContact C-N 3.35Å; I287-F289 PolarHBondContact O-N 3.21Å; F289-M291 VanDerWaalsContact C-N 3.28Å; F289-M291 PolarHBondContact O-N 2.9Å; F289-M300 HydrophobicContact CD1-CE 3.64Å; F289-M300 HydrophobicContact CE1-CE 3.78Å; F289-I334 HydrophobicContact CE1-CG1 4.31Å
290	Y	96.3	Very high	93.8	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.9	-33.5	175.7	178.7	-106.4	0	0	0	113.6	F121 D139 A142 F143 S286 I287 W288 M300 H301	F121-Y290 HydrophobicContact CD2-CD1 4.27Å; F121-Y290 HydrophobicContact CD2-CE1 4.17Å; F121-Y290 HydrophobicContact CE2-CD1 4.01Å; F121-Y290 AromaticContact CE2-CE1 3.86Å; F121-Y290 HydrophobicContact CE2-CE1 3.86Å; D139-Y290 PolarHBondContact O-OH 3.02Å; D139-Y290 WeakPolarHBondContact OD1-CE1 3.47Å; D139-Y290 PolarHBondContact OD1-OH 3.44Å; A142-Y290 HydrophobicContact CB-CE2 4.49Å; F143-Y290 HydrophobicContact CB-CD1 4.42Å; F143-Y290 HydrophobicContact CB-CE1 4.29Å; F143-Y290 HydrophobicContact CB-CE2 4.4Å; F143-Y290 HydrophobicContact CD2-CD1 4.09Å; F143-Y290 HydrophobicContact CD2-CD2 4.28Å; F143-Y290 AromaticContact CD2-CG 3.83Å; F143-Y290 HydrophobicContact CD2-CG 3.83Å; S286-Y290 WeakPolarHBondContact O-CB 3.33Å; S286-Y290 PolarHBondContact O-N 3.47Å; I287-Y290 WeakPolarHBondContact O-CB 3.25Å; I287-Y290 PolarHBondContact O-N 3.18Å; W288-Y290 VanDerWaalsContact C-N 3.31Å; W288-Y290 PolarHBondContact O-N 2.99Å; Y290-M300 HydrophobicContact CD2-CB 3.57Å; Y290-M300 HydrophobicContact CD2-CE 4.29Å; Y290-M300 HydrophobicContact CD2-CG 4.49Å; Y290-M300 HydrophobicContact CD2-SD 4.18Å; Y290-M300 HydrophobicContact CE2-CB 3.62Å; Y290-M300 HydrophobicContact CG-CB 4.47Å; Y290-M300 PolarHBondContact O-N 2.92Å; Y290-H301 HydrophobicContact CD1-CB 3.97Å; Y290-H301 HydrophobicContact CE1-CB 3.64Å; Y290-H301 AromaticContact CE1-ND1 3.93Å; Y290-H301 PolarHBondContact O-N 2.63Å
291	M	95.2	Very high	93.6	Very high	30 Å²	30	25.3 Å²	25.3	15%	0.148	15%	0.149	C	C	.	.	H	α-helix	trans	-104.4	0.1	-174.3	-63.1	-171	78.6	0	0	115	F118 E120 F121 I287 W288 F289 A299 H301	F118-M291 HydrophobicContact CB-CE 4.41Å; F118-M291 HydrophobicContact CB-SD 3.59Å; F118-M291 VanDerWaalsContact CB-SD 3.59Å; F118-M291 HydrophobicContact CD1-SD 3.67Å; F118-M291 HydrophobicContact CG-SD 3.88Å; E120-M291 HydrophobicContact CB-CE 4.05Å; F121-M291 HydrophobicContact CB-CE 4.07Å; F121-M291 HydrophobicContact CB-SD 3.6Å; F121-M291 VanDerWaalsContact CB-SD 3.6Å; F121-M291 HydrophobicContact CD2-SD 4.13Å; F121-M291 HydrophobicContact CG-SD 4.12Å; I287-M291 HydrophobicContact CG2-CG 4.15Å; I287-M291 HydrophobicContact CG2-SD 3.68Å; I287-M291 WeakPolarHBondContact O-CB 3.45Å; I287-M291 WeakPolarHBondContact O-CG 3.42Å; I287-M291 PolarHBondContact O-N 3.3Å; W288-M291 CarbonylContact O-C 3.59Å; W288-M291 PolarHBondContact O-N 3.21Å; F289-M291 VanDerWaalsContact C-N 3.28Å; F289-M291 PolarHBondContact O-N 2.9Å; M291-A299 VanDerWaalsContact C-CB 3.45Å; M291-A299 WeakPolarHBondContact O-CB 3.16Å; M291-H301 HydrophobicContact CB-CB 4.44Å; M291-H301 HydrophobicContact CG-CB 3.94Å
292	T	94.1	Very high	93.3	Very high	29 Å²	29	26.2 Å²	26.2	18%	0.178	15%	0.154	C	C	.	.	S	Bend	trans	-105.8	123.1	-176.7	-59.6	0	0	0	0	110.5	W288	W288-T292 HydrophobicContact CH2-CG2 4.41Å; W288-T292 HydrophobicContact CZ2-CG2 3.83Å; W288-T292 PolarHBondContact NE1-OG1 3.27Å; W288-T292 WeakPolarHBondContact O-CB 3.4Å; W288-T292 PolarHBondContact O-N 2.93Å; W288-T292 PolarHBondContact O-OG1 3.34Å
293	P	91.6	Very high	93.1	Very high	55 Å²	55	26.2 Å²	26.2	36%	0.357	15%	0.153	S	C	.	.			trans	-59.4	140.1	170.9	-23.8	34.4	0	0	0	111.6	P295 A299	P293-P295 WeakPolarHBondContact O-CD 3.35Å; P293-A299 HydrophobicContact CG-CB 4.28Å
294	Q	83.6	Confident	92.9	Very high	40 Å²	40	26.3 Å²	26.3	19%	0.187	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-120.3	82.4	175.8	-70.4	-65.5	-28.5	0	0	107.9	K297	Q294-K297 CarbonylContact C-O 3.56Å; Q294-K297 PolarHBondContact N-O 3.45Å; Q294-K297 WeakPolarHBondContact O-CA 3.32Å; Q294-K297 VanDerWaalsContact O-CB 3.26Å; Q294-K297 WeakPolarHBondContact O-CB 3.49Å; Q294-K297 PolarHBondContact O-N 2.97Å
295	P	81.8	Confident	92.6	Very high	117 Å²	117	26.5 Å²	26.5	76%	0.76	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.1	133.2	-170.5	-29.9	35.4	0	0	0	112.7	P293 K297	P293-P295 WeakPolarHBondContact O-CD 3.35Å; P295-K297 VanDerWaalsContact C-N 3.34Å
296	P	83.6	Confident	92.1	Very high	135 Å²	135	26.6 Å²	26.6	88%	0.877	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	cis	-85.2	6.8	9.7	35.7	-37.6	0	0	0	114.9
297	K	84.8	Confident	91.1	Very high	52 Å²	52	28.5 Å²	28.5	23%	0.226	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-87.6	136.5	-175.1	-50.9	-175.9	-175.1	-176.3	0	111.2	Q294 P295 L332 I333 N336	Q294-K297 CarbonylContact C-O 3.56Å; Q294-K297 PolarHBondContact N-O 3.45Å; Q294-K297 WeakPolarHBondContact O-CA 3.32Å; Q294-K297 VanDerWaalsContact O-CB 3.26Å; Q294-K297 WeakPolarHBondContact O-CB 3.49Å; Q294-K297 PolarHBondContact O-N 2.97Å; P295-K297 VanDerWaalsContact C-N 3.34Å; K297-L332 PolarHBondContact NZ-O 3.33Å; K297-I333 HydrophobicContact CB-CG1 4.28Å; K297-I333 HydrophobicContact CB-CG2 4.5Å; K297-I333 HydrophobicContact CD-CG1 4.37Å; K297-I333 HydrophobicContact CD-CG2 4.45Å; K297-N336 WeakPolarHBondContact CE-OD1 3.1Å; K297-N336 PolarHBondContact NZ-OD1 3.27Å
298	P	88.8	Confident	89.2	Confident	28 Å²	28	35.4 Å²	35.4	18%	0.182	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-68.4	173.9	171.5	34	-37.9	0	0	0	110.6	I303 W311 I333	P298-I303 HydrophobicContact CG-CD1 3.78Å; P298-I303 HydrophobicContact CG-CG1 3.79Å; P298-W311 HydrophobicContact CG-CE3 3.97Å; P298-W311 HydrophobicContact CG-CZ3 4.23Å; P298-I333 HydrophobicContact CG-CD1 4.16Å; P298-I333 VanDerWaalsContact O-CD1 3.31Å; P298-I333 WeakPolarHBondContact O-CD1 3.4Å
299	A	93.1	Very high	87.6	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-67.7	151.1	168.3	0	0	0	0	0	110.5	M291 P293 H301 D302 I303	M291-A299 VanDerWaalsContact C-CB 3.45Å; M291-A299 WeakPolarHBondContact O-CB 3.16Å; P293-A299 HydrophobicContact CG-CB 4.28Å; A299-H301 VanDerWaalsContact C-N 3.27Å; A299-H301 HydrophobicContact CB-CB 4.46Å; A299-H301 PolarHBondContact O-N 2.9Å; A299-D302 HydrophobicContact CB-CB 4.37Å; A299-D302 WeakPolarHBondContact CB-OD2 3.49Å; A299-D302 PolarHBondContact O-N 2.8Å; A299-I303 PolarHBondContact O-N 3.18Å
300	M	94.2	Very high	86.4	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.2	-40.6	173.1	-70.8	179.3	-93.6	0	0	111	H146 F289 Y290 D302 I303 V304 T330 I333 I334	H146-M300 PolarHBondContact NE2-SD 3.1Å; F289-M300 HydrophobicContact CD1-CE 3.64Å; F289-M300 HydrophobicContact CE1-CE 3.78Å; Y290-M300 HydrophobicContact CD2-CB 3.57Å; Y290-M300 HydrophobicContact CD2-CE 4.29Å; Y290-M300 HydrophobicContact CD2-CG 4.49Å; Y290-M300 HydrophobicContact CD2-SD 4.18Å; Y290-M300 HydrophobicContact CE2-CB 3.62Å; Y290-M300 HydrophobicContact CG-CB 4.47Å; Y290-M300 PolarHBondContact O-N 2.92Å; M300-D302 VanDerWaalsContact C-N 3.33Å; M300-D302 PolarHBondContact O-N 3.28Å; M300-I303 PolarHBondContact O-N 3.3Å; M300-V304 WeakPolarHBondContact O-CG2 3.5Å; M300-V304 PolarHBondContact O-N 3.02Å; M300-V304 VanDerWaalsContact O-N 3.08Å; M300-T330 HydrophobicContact CB-CG2 3.87Å; M300-T330 HydrophobicContact CG-CG2 4.16Å; M300-I333 HydrophobicContact CG-CB 3.79Å; M300-I333 HydrophobicContact CG-CD1 4Å; M300-I333 HydrophobicContact CG-CG1 4.48Å; M300-I333 HydrophobicContact CG-CG2 3.84Å; M300-I334 HydrophobicContact CE-CB 4.15Å; M300-I334 HydrophobicContact CE-CD1 4.36Å; M300-I334 HydrophobicContact CE-CG1 4.3Å; M300-I334 HydrophobicContact SD-CB 3.93Å; M300-I334 HydrophobicContact SD-CD1 4.4Å
301	H	94.8	Very high	85.6	Confident	9 Å²	9	45.3 Å²	45.3	4%	0.042	26%	0.256	C	S	.	.	H	α-helix	trans	-50.7	-49.5	172.5	177.3	73	0	0	0	112.3	E120 D139 Y290 M291 A299 I303 V304 M305	E120-H301 PolarHBondContact O-CE1 3.09Å; D139-H301 IonicContact OD1-CE1 3.29Å; D139-H301 IonicContact OD1-ND1 2.7Å; D139-H301 PolarHBondContact OD1-ND1 3.19Å; D139-H301 IonicContact OD2-CE1 2.93Å; D139-H301 PolarHBondContact OD2-CE1 2.76Å; D139-H301 VanDerWaalsContact OD2-CE1 3.24Å; D139-H301 IonicContact OD2-ND1 2.73Å; D139-H301 PolarHBondContact OD2-ND1 3.5Å; D139-H301 VanDerWaalsContact OD2-ND1 3.09Å; Y290-H301 HydrophobicContact CD1-CB 3.97Å; Y290-H301 HydrophobicContact CE1-CB 3.64Å; Y290-H301 AromaticContact CE1-ND1 3.93Å; Y290-H301 PolarHBondContact O-N 2.63Å; M291-H301 HydrophobicContact CB-CB 4.44Å; M291-H301 HydrophobicContact CG-CB 3.94Å; A299-H301 VanDerWaalsContact C-N 3.27Å; A299-H301 HydrophobicContact CB-CB 4.46Å; A299-H301 PolarHBondContact O-N 2.9Å; H301-I303 VanDerWaalsContact C-N 3.28Å; H301-I303 PolarHBondContact O-N 3.01Å; H301-V304 PolarHBondContact O-N 3.49Å; H301-V304 VanDerWaalsContact O-N 3.09Å; H301-M305 WeakPolarHBondContact CE1-CG 3.37Å; H301-M305 WeakPolarHBondContact O-CB 3.37Å; H301-M305 VanDerWaalsContact O-CG 3.28Å; H301-M305 WeakPolarHBondContact O-CG 3.46Å; H301-M305 PolarHBondContact O-N 3.32Å
302	D	93	Very high	85.1	Confident	19 Å²	19	51.5 Å²	51.5	10%	0.102	28%	0.279	C	S	.	.	H	α-helix	trans	-61.9	-35	-178.2	-70.1	-37.3	0	0	0	112.9	A299 M300 G306 T307 Q310	A299-D302 HydrophobicContact CB-CB 4.37Å; A299-D302 WeakPolarHBondContact CB-OD2 3.49Å; A299-D302 PolarHBondContact O-N 2.8Å; M300-D302 VanDerWaalsContact C-N 3.33Å; M300-D302 PolarHBondContact O-N 3.28Å; D302-G306 VanDerWaalsContact O-CA 3.32Å; D302-G306 WeakPolarHBondContact O-CA 3.32Å; D302-G306 PolarHBondContact O-N 3.27Å; D302-T307 PolarHBondContact O-N 3.33Å; D302-T307 PolarHBondContact OD1-OG1 2.98Å; D302-Q310 HydrophobicContact CB-CB 3.93Å
303	I	93	Very high	84.6	Confident	3 Å²	3	50.8 Å²	50.8	2%	0.015	28%	0.275	C	S	.	.	H	α-helix	trans	-69.5	-42.8	175.2	-55.3	-167.1	0	0	0	110.8	P298 A299 M300 H301 G306 W311 P325 I326 P329 T330 I333	P298-I303 HydrophobicContact CG-CD1 3.78Å; P298-I303 HydrophobicContact CG-CG1 3.79Å; A299-I303 PolarHBondContact O-N 3.18Å; M300-I303 PolarHBondContact O-N 3.3Å; H301-I303 VanDerWaalsContact C-N 3.28Å; H301-I303 PolarHBondContact O-N 3.01Å; I303-G306 PolarHBondContact O-N 3.14Å; I303-W311 HydrophobicContact CD1-CD2 4.48Å; I303-W311 HydrophobicContact CD1-CE3 3.96Å; I303-W311 HydrophobicContact CD1-CH2 4.08Å; I303-W311 HydrophobicContact CD1-CZ3 3.74Å; I303-W311 HydrophobicContact CG1-CD2 4.01Å; I303-W311 HydrophobicContact CG1-CE3 3.82Å; I303-W311 HydrophobicContact CG1-CG 4.49Å; I303-W311 HydrophobicContact CG1-CZ3 4.14Å; I303-W311 HydrophobicContact CG2-CD2 4.33Å; I303-W311 HydrophobicContact CG2-CZ2 4.14Å; I303-P325 WeakPolarHBondContact O-CA 3.13Å; I303-I326 HydrophobicContact CG2-CG2 3.84Å; I303-I326 VanDerWaalsContact CG2-O 3.29Å; I303-I326 WeakPolarHBondContact CG2-O 3.48Å; I303-I326 PolarHBondContact O-N 3.08Å; I303-P329 HydrophobicContact CD1-CB 3.91Å; I303-P329 HydrophobicContact CG2-CB 4.17Å; I303-P329 HydrophobicContact CG2-CG 4.25Å; I303-T330 HydrophobicContact CB-CG2 4.05Å; I303-T330 HydrophobicContact CG2-CG2 4.31Å; I303-I333 HydrophobicContact CD1-CD1 3.4Å; I303-I333 VanDerWaalsContact CD1-CD1 3.4Å; I303-I333 HydrophobicContact CD1-CG1 4.46Å; I303-I333 HydrophobicContact CG1-CD1 4.18Å
304	V	94.4	Very high	84.4	Confident	3 Å²	3	48.9 Å²	48.9	2%	0.018	27%	0.266	C	S	.	.	H	α-helix	trans	-67.7	-39.7	-178.4	174.6	0	0	0	0	111.3	A142 M300 H301 P325 T330	A142-V304 HydrophobicContact CB-CB 4.41Å; A142-V304 HydrophobicContact CB-CG1 3.95Å; A142-V304 HydrophobicContact CB-CG2 3.63Å; M300-V304 WeakPolarHBondContact O-CG2 3.5Å; M300-V304 PolarHBondContact O-N 3.02Å; M300-V304 VanDerWaalsContact O-N 3.08Å; H301-V304 PolarHBondContact O-N 3.49Å; H301-V304 VanDerWaalsContact O-N 3.09Å; V304-P325 WeakPolarHBondContact O-CB 3.33Å; V304-T330 HydrophobicContact CG2-CG2 3.79Å
305	M	92.8	Very high	84.8	Confident	3 Å²	3	52.7 Å²	52.7	2%	0.015	29%	0.287	C	S	.	.	H	α-helix	trans	-80.5	-23.8	178.7	-61.6	-51.1	-71.4	0	0	112.5	T123 A125 N128 N135 D139 H301 T307	T123-M305 VanDerWaalsContact O-CE 3.29Å; T123-M305 WeakPolarHBondContact O-CE 3.26Å; A125-M305 HydrophobicContact CB-CB 4.16Å; A125-M305 HydrophobicContact CB-CE 3.6Å; N128-M305 WeakPolarHBondContact CB-O 3.4Å; N128-M305 PolarHBondContact ND2-O 2.93Å; N135-M305 HydrophobicContact CB-CE 3.98Å; D139-M305 HydrophobicContact CB-SD 3.7Å; H301-M305 WeakPolarHBondContact CE1-CG 3.37Å; H301-M305 WeakPolarHBondContact O-CB 3.37Å; H301-M305 VanDerWaalsContact O-CG 3.28Å; H301-M305 WeakPolarHBondContact O-CG 3.46Å; H301-M305 PolarHBondContact O-N 3.32Å; M305-T307 VanDerWaalsContact C-N 3.32Å; M305-T307 HydrophobicContact CB-CG2 4.12Å
306	G	87.7	Confident	85.3	Confident	4 Å²	4	55.7 Å²	55.7	4%	0.041	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.2	39	-178.7	0	0	0	0	0	112.5	D302 I303 H308	D302-G306 VanDerWaalsContact O-CA 3.32Å; D302-G306 WeakPolarHBondContact O-CA 3.32Å; D302-G306 PolarHBondContact O-N 3.27Å; I303-G306 PolarHBondContact O-N 3.14Å; G306-H308 PolarHBondContact O-N 3.45Å
307	T	77.2	Confident	85.5	Confident	40 Å²	40	52.4 Å²	52.4	25%	0.245	26%	0.264	C	S	.	.			trans	-64	106.9	175.8	47.3	0	0	0	0	108.6	D302 M305 S309 Q310 W311	D302-T307 PolarHBondContact O-N 3.33Å; D302-T307 PolarHBondContact OD1-OG1 2.98Å; M305-T307 VanDerWaalsContact C-N 3.32Å; M305-T307 HydrophobicContact CB-CG2 4.12Å; T307-S309 PolarHBondContact O-N 3.42Å; T307-Q310 PolarHBondContact O-N 2.87Å; T307-W311 PolarHBondContact O-N 3.05Å; T307-W311 VanDerWaalsContact O-N 3.07Å
308	H	58.8	Low	85.8	Confident	145 Å²	145	54.4 Å²	54.4	67%	0.671	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-19.6	-169.9	-67.4	-78.9	0	0	0	114.4	D127 G306	D127-H308 PolarHBondContact O-NE2 3.19Å; G306-H308 PolarHBondContact O-N 3.45Å
309	S	65.2	Low	86	Confident	100 Å²	100	57.4 Å²	57.4	70%	0.699	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-17.5	176.3	56	0	0	0	0	114.5	T307	T307-S309 PolarHBondContact O-N 3.42Å
310	Q	70.7	Confident	85.9	Confident	109 Å²	109	60.5 Å²	60.5	51%	0.509	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.7	-25.8	-174.6	-58.4	-56.3	-41.5	0	0	113.6	D302 T307	D302-Q310 HydrophobicContact CB-CB 3.93Å; T307-Q310 PolarHBondContact O-N 2.87Å
311	W	80.1	Confident	85.7	Confident	30 Å²	30	62.7 Å²	62.7	11%	0.114	35%	0.347	C	S	.	.			trans	-106.7	101.9	177.8	171.4	-130.5	0	0	0	112.1	P298 I303 T307 P313 G324 P329	P298-W311 HydrophobicContact CG-CE3 3.97Å; P298-W311 HydrophobicContact CG-CZ3 4.23Å; I303-W311 HydrophobicContact CD1-CD2 4.48Å; I303-W311 HydrophobicContact CD1-CE3 3.96Å; I303-W311 HydrophobicContact CD1-CH2 4.08Å; I303-W311 HydrophobicContact CD1-CZ3 3.74Å; I303-W311 HydrophobicContact CG1-CD2 4.01Å; I303-W311 HydrophobicContact CG1-CE3 3.82Å; I303-W311 HydrophobicContact CG1-CG 4.49Å; I303-W311 HydrophobicContact CG1-CZ3 4.14Å; I303-W311 HydrophobicContact CG2-CD2 4.33Å; I303-W311 HydrophobicContact CG2-CZ2 4.14Å; T307-W311 PolarHBondContact O-N 3.05Å; T307-W311 VanDerWaalsContact O-N 3.07Å; W311-P313 HydrophobicContact CH2-CB 3.75Å; W311-P313 HydrophobicContact CZ2-CB 3.54Å; W311-P313 HydrophobicContact CZ2-CG 3.97Å; W311-P313 HydrophobicContact CZ3-CB 4.41Å; W311-G324 PolarHBondContact NE1-O 3.18Å; W311-G324 VanDerWaalsContact NE1-O 3.09Å; W311-P329 HydrophobicContact CH2-CB 4.37Å; W311-P329 HydrophobicContact CH2-CG 4.46Å; W311-P329 HydrophobicContact CZ2-CG 4.4Å
312	Y	84.1	Confident	85.4	Confident	160 Å²	160	66.7 Å²	66.7	63%	0.627	36%	0.363	S	S	*	.			trans	-116.3	101.6	167.8	-176.7	-102.2	0	0	0	110.7	G314	Y312-G314 PolarHBondContact O-N 3.19Å
313	P	84.1	Confident	85.2	Confident	14 Å²	14	68.8 Å²	68.8	9%	0.091	38%	0.379	C	S	.	.			trans	-64.2	-26.9	-179.6	14.6	-24	0	0	0	113.7	W311 N317 K318 Y322	W311-P313 HydrophobicContact CH2-CB 3.75Å; W311-P313 HydrophobicContact CZ2-CB 3.54Å; W311-P313 HydrophobicContact CZ2-CG 3.97Å; W311-P313 HydrophobicContact CZ3-CB 4.41Å; P313-N317 HydrophobicContact CB-CB 3.72Å; P313-N317 VanDerWaalsContact O-CB 3.24Å; P313-N317 WeakPolarHBondContact O-CB 3.5Å; P313-N317 PolarHBondContact O-ND2 3.34Å; P313-K318 HydrophobicContact CB-CG 4.18Å; P313-K318 HydrophobicContact CG-CD 4.44Å; P313-K318 HydrophobicContact CG-CG 3.74Å; P313-Y322 WeakPolarHBondContact CB-O 3.05Å; P313-Y322 WeakPolarHBondContact CG-O 3.37Å
314	G	87.5	Confident	84.9	Confident	15 Å²	15	70.1 Å²	70.1	16%	0.155	39%	0.393	C	S	.	.	H	α-helix	trans	71.1	167.8	-167	0	0	0	0	0	113.5	Y312 K316 N317 K318	Y312-G314 PolarHBondContact O-N 3.19Å; G314-K316 PolarHBondContact O-N 3.21Å; G314-N317 PolarHBondContact O-N 3.44Å; G314-K318 WeakPolarHBondContact O-CG 3.43Å; G314-K318 PolarHBondContact O-N 3.25Å
315	D	91.6	Very high	84.8	Confident	121 Å²	121	71 Å²	71	65%	0.647	40%	0.399	S	S	*	.	H	α-helix	trans	-65.1	-37.1	-168.2	-62.4	-27.1	0	0	0	113.2	K318 A319	D315-K318 PolarHBondContact O-N 3.47Å; D315-A319 WeakPolarHBondContact O-CB 3.42Å; D315-A319 PolarHBondContact O-N 3.31Å
316	K	91.3	Very high	84.8	Confident	179 Å²	179	73 Å²	73	78%	0.778	41%	0.409	S	S	*	.	H	α-helix	trans	-61.9	-47	178.4	-176.9	-179.1	175.4	-173.7	0	112	G314 A319 A320	G314-K316 PolarHBondContact O-N 3.21Å; K316-A319 PolarHBondContact O-N 3.3Å; K316-A320 PolarHBondContact O-N 2.73Å
317	N	89.3	Confident	85	Confident	67 Å²	67	74.9 Å²	74.9	36%	0.358	42%	0.417	S	S	.	.	H	α-helix	trans	-73	-37.4	-178.7	-69.3	-33.9	0	0	0	111.2	P313 G314 A319 A320 G321 Y322	P313-N317 HydrophobicContact CB-CB 3.72Å; P313-N317 VanDerWaalsContact O-CB 3.24Å; P313-N317 WeakPolarHBondContact O-CB 3.5Å; P313-N317 PolarHBondContact O-ND2 3.34Å; G314-N317 PolarHBondContact O-N 3.44Å; N317-A319 VanDerWaalsContact C-N 3.35Å; N317-A319 PolarHBondContact O-N 2.79Å; N317-A320 CarbonylContact O-C 3.51Å; N317-A320 PolarHBondContact O-N 3.49Å; N317-A320 VanDerWaalsContact O-N 3.11Å; N317-G321 PolarHBondContact O-N 3.46Å; N317-Y322 CarbonylContact C-O 3.54Å; N317-Y322 HydrophobicContact CB-CD2 4.46Å; N317-Y322 WeakPolarHBondContact O-CB 3.47Å; N317-Y322 PolarHBondContact O-N 3.16Å
318	K	90.3	Very high	85.7	Confident	93 Å²	93	74.7 Å²	74.7	40%	0.404	42%	0.422	S	S	.	.	H	α-helix	trans	-58.2	-46.2	171.6	-71.4	177.7	-176.9	177.1	0	111.7	P313 G314 D315 A320 G321	P313-K318 HydrophobicContact CB-CG 4.18Å; P313-K318 HydrophobicContact CG-CD 4.44Å; P313-K318 HydrophobicContact CG-CG 3.74Å; G314-K318 WeakPolarHBondContact O-CG 3.43Å; G314-K318 PolarHBondContact O-N 3.25Å; D315-K318 PolarHBondContact O-N 3.47Å; K318-A320 PolarHBondContact O-N 2.86Å; K318-G321 PolarHBondContact O-N 2.54Å
319	A	92.6	Very high	87.1	Confident	92 Å²	92	68.2 Å²	68.2	76%	0.76	39%	0.393	S	S	*	.	H	α-helix	trans	-62.8	-26.7	177.3	0	0	0	0	0	113	D315 K316 N317 G321	D315-A319 WeakPolarHBondContact O-CB 3.42Å; D315-A319 PolarHBondContact O-N 3.31Å; K316-A319 PolarHBondContact O-N 3.3Å; N317-A319 VanDerWaalsContact C-N 3.35Å; N317-A319 PolarHBondContact O-N 2.79Å; A319-G321 VanDerWaalsContact C-N 3.32Å
320	A	91.1	Very high	88.4	Confident	64 Å²	64	63.5 Å²	63.5	53%	0.529	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	1.2	173.9	0	0	0	0	0	114	K316 N317 K318 Y322	K316-A320 PolarHBondContact O-N 2.73Å; N317-A320 CarbonylContact O-C 3.51Å; N317-A320 PolarHBondContact O-N 3.49Å; N317-A320 VanDerWaalsContact O-N 3.11Å; K318-A320 PolarHBondContact O-N 2.86Å; A320-Y322 HydrophobicContact CB-CD2 3.78Å; A320-Y322 HydrophobicContact CB-CE2 3.87Å
321	G	89.3	Confident	89.3	Confident	46 Å²	46	60.4 Å²	60.4	47%	0.474	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.6	8	-179.9	0	0	0	0	0	114.9	N317 K318 A319 S323	N317-G321 PolarHBondContact O-N 3.46Å; K318-G321 PolarHBondContact O-N 2.54Å; A319-G321 VanDerWaalsContact C-N 3.32Å; G321-S323 PolarHBondContact O-N 2.81Å
322	Y	89.2	Confident	89.4	Confident	93 Å²	93	62.5 Å²	62.5	37%	0.365	36%	0.364	S	S	.	.			trans	-92.5	87.1	175.4	-55.3	-61	0	0	0	110	P313 N317 A320 I326 P329	P313-Y322 WeakPolarHBondContact CB-O 3.05Å; P313-Y322 WeakPolarHBondContact CG-O 3.37Å; N317-Y322 CarbonylContact C-O 3.54Å; N317-Y322 HydrophobicContact CB-CD2 4.46Å; N317-Y322 WeakPolarHBondContact O-CB 3.47Å; N317-Y322 PolarHBondContact O-N 3.16Å; A320-Y322 HydrophobicContact CB-CD2 3.78Å; A320-Y322 HydrophobicContact CB-CE2 3.87Å; Y322-I326 HydrophobicContact CD1-CD1 4.42Å; Y322-P329 HydrophobicContact CD1-CG 3.56Å; Y322-P329 HydrophobicContact CE1-CG 4.32Å; Y322-P329 HydrophobicContact CG-CG 3.96Å
323	S	88.9	Confident	89.4	Confident	63 Å²	63	55.8 Å²	55.8	44%	0.441	34%	0.338	S	S	.	.			trans	-150.4	155.5	179.7	63.5	0	0	0	0	112.2	G321	G321-S323 PolarHBondContact O-N 2.81Å
324	G	87.8	Confident	89.3	Confident	31 Å²	31	56.2 Å²	56.2	32%	0.32	34%	0.34	S	S	.	.	S	Bend	trans	67.2	-165.2	-177.1	0	0	0	0	0	112.4	W311 I326	W311-G324 PolarHBondContact NE1-O 3.18Å; W311-G324 VanDerWaalsContact NE1-O 3.09Å; G324-I326 PolarHBondContact O-N 3.38Å
325	P	91.1	Very high	88.5	Confident	22 Å²	22	58.3 Å²	58.3	14%	0.143	35%	0.348	C	S	.	.	S	Bend	trans	-72.4	111.4	177.6	-9.2	24.4	0	0	0	110.8	N128 Y130 R138 I303 V304	N128-P325 HydrophobicContact CB-CG 3.75Å; N128-P325 WeakPolarHBondContact O-CG 3.08Å; Y130-P325 HydrophobicContact CD2-CB 4.25Å; Y130-P325 HydrophobicContact CD2-CG 4.13Å; Y130-P325 HydrophobicContact CE2-CB 3.84Å; Y130-P325 HydrophobicContact CE2-CG 3.89Å; R138-P325 PolarHBondContact NH2-O 2.83Å; I303-P325 WeakPolarHBondContact O-CA 3.13Å; V304-P325 WeakPolarHBondContact O-CB 3.33Å
326	I	92.6	Very high	87.1	Confident	44 Å²	44	58.5 Å²	58.5	23%	0.226	35%	0.349	C	S	.	.			trans	-146.3	148.7	-170.1	-170.5	166.2	0	0	0	112	I303 Y322 G324 P329	I303-I326 HydrophobicContact CG2-CG2 3.84Å; I303-I326 VanDerWaalsContact CG2-O 3.29Å; I303-I326 WeakPolarHBondContact CG2-O 3.48Å; I303-I326 PolarHBondContact O-N 3.08Å; Y322-I326 HydrophobicContact CD1-CD1 4.42Å; G324-I326 PolarHBondContact O-N 3.38Å; I326-P329 HydrophobicContact CG2-CG 3.91Å
327	F	93.2	Very high	84.8	Confident	45 Å²	45	57.7 Å²	57.7	20%	0.197	35%	0.347	C	S	.	.	S	Bend	trans	-85.9	-42.8	179.7	177.9	-110.8	0	0	0	113.3	F11 A142 A145 H146 T330	F11-F327 HydrophobicContact CE2-CB 4.45Å; F11-F327 HydrophobicContact CE2-CD1 4.44Å; A142-F327 HydrophobicContact CB-CD2 3.68Å; A142-F327 HydrophobicContact CB-CE2 3.9Å; A145-F327 HydrophobicContact CB-CE2 4.05Å; A145-F327 HydrophobicContact CB-CZ 3.68Å; H146-F327 AromaticContact NE2-CE2 3.62Å; F327-T330 WeakPolarHBondContact O-CB 3.27Å; F327-T330 WeakPolarHBondContact O-CG2 3Å; F327-T330 PolarHBondContact O-N 2.82Å; F327-T330 PolarHBondContact O-OG1 3.1Å
328	G	90.4	Very high	84.5	Confident	35 Å²	35	57.2 Å²	57.2	36%	0.361	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.1	-50.9	-167.4	0	0	0	0	0	116.3	T330 S331	G328-T330 PolarHBondContact O-N 3.34Å; G328-T330 VanDerWaalsContact O-N 3.11Å; G328-S331 PolarHBondContact O-N 3.3Å; G328-S331 PolarHBondContact O-OG 2.65Å; G328-S331 VanDerWaalsContact O-OG 3.09Å
329	P	89.4	Confident	84.2	Confident	10 Å²	10	55.3 Å²	55.3	7%	0.065	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-18.3	-179.3	-24.1	34.6	0	0	0	115.3	I303 W311 Y322 I326 S331 L332	I303-P329 HydrophobicContact CD1-CB 3.91Å; I303-P329 HydrophobicContact CG2-CB 4.17Å; I303-P329 HydrophobicContact CG2-CG 4.25Å; W311-P329 HydrophobicContact CH2-CB 4.37Å; W311-P329 HydrophobicContact CH2-CG 4.46Å; W311-P329 HydrophobicContact CZ2-CG 4.4Å; Y322-P329 HydrophobicContact CD1-CG 3.56Å; Y322-P329 HydrophobicContact CE1-CG 4.32Å; Y322-P329 HydrophobicContact CG-CG 3.96Å; I326-P329 HydrophobicContact CG2-CG 3.91Å; P329-S331 PolarHBondContact O-N 2.84Å; P329-L332 WeakPolarHBondContact O-CB 3.06Å; P329-L332 PolarHBondContact O-N 3.01Å
330	T	92.1	Very high	83.8	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-65.1	-25.7	-179.8	65	0	0	0	0	112.7	H146 M300 I303 V304 F327 G328 L332 I333 I334	H146-T330 PolarHBondContact CE1-OG1 2.92Å; H146-T330 WeakPolarHBondContact NE2-CB 3.21Å; H146-T330 PolarHBondContact NE2-OG1 2.04Å; M300-T330 HydrophobicContact CB-CG2 3.87Å; M300-T330 HydrophobicContact CG-CG2 4.16Å; I303-T330 HydrophobicContact CB-CG2 4.05Å; I303-T330 HydrophobicContact CG2-CG2 4.31Å; V304-T330 HydrophobicContact CG2-CG2 3.79Å; F327-T330 WeakPolarHBondContact O-CB 3.27Å; F327-T330 WeakPolarHBondContact O-CG2 3Å; F327-T330 PolarHBondContact O-N 2.82Å; F327-T330 PolarHBondContact O-OG1 3.1Å; G328-T330 PolarHBondContact O-N 3.34Å; G328-T330 VanDerWaalsContact O-N 3.11Å; T330-L332 VanDerWaalsContact C-N 3.28Å; T330-L332 PolarHBondContact O-N 3.2Å; T330-I333 WeakPolarHBondContact O-CB 3.35Å; T330-I333 PolarHBondContact O-N 2.93Å; T330-I333 VanDerWaalsContact O-N 3.14Å; T330-I334 PolarHBondContact O-N 2.77Å
331	S	88.3	Confident	83.3	Confident	45 Å²	45	52.6 Å²	52.6	32%	0.315	31%	0.309	S	S	.	.	H	α-helix	trans	-66.9	-28.4	175.6	68.7	0	0	0	0	113.1	G328 P329 I333 I334 N335	G328-S331 PolarHBondContact O-N 3.3Å; G328-S331 PolarHBondContact O-OG 2.65Å; G328-S331 VanDerWaalsContact O-OG 3.09Å; P329-S331 PolarHBondContact O-N 2.84Å; S331-I333 VanDerWaalsContact C-N 3.28Å; S331-I334 WeakPolarHBondContact O-CG2 3.43Å; S331-N335 PolarHBondContact O-N 3.22Å
332	L	82.7	Confident	83	Confident	74 Å²	74	53.1 Å²	53.1	39%	0.387	30%	0.298	S	S	.	.	H	α-helix	trans	-74.5	-23.2	175.5	-55.4	175.5	0	0	0	111.8	K297 P329 T330 N336 E337	K297-L332 PolarHBondContact NZ-O 3.33Å; P329-L332 WeakPolarHBondContact O-CB 3.06Å; P329-L332 PolarHBondContact O-N 3.01Å; T330-L332 VanDerWaalsContact C-N 3.28Å; T330-L332 PolarHBondContact O-N 3.2Å; L332-N336 WeakPolarHBondContact O-CA 3.24Å; L332-N336 PolarHBondContact O-N 3.46Å; L332-E337 WeakPolarHBondContact CA-OXT 3.27Å; L332-E337 WeakPolarHBondContact CB-OXT 3.49Å; L332-E337 HydrophobicContact CD2-CB 4.02Å; L332-E337 WeakPolarHBondContact CD2-OXT 3Å
333	I	84	Confident	82.5	Confident	18 Å²	18	50.4 Å²	50.4	9%	0.092	29%	0.294	C	S	.	.	H	α-helix	trans	-76	-51.9	176.3	-61.3	173	0	0	0	109.7	K297 P298 M300 I303 T330 S331	K297-I333 HydrophobicContact CB-CG1 4.28Å; K297-I333 HydrophobicContact CB-CG2 4.5Å; K297-I333 HydrophobicContact CD-CG1 4.37Å; K297-I333 HydrophobicContact CD-CG2 4.45Å; P298-I333 HydrophobicContact CG-CD1 4.16Å; P298-I333 VanDerWaalsContact O-CD1 3.31Å; P298-I333 WeakPolarHBondContact O-CD1 3.4Å; M300-I333 HydrophobicContact CG-CB 3.79Å; M300-I333 HydrophobicContact CG-CD1 4Å; M300-I333 HydrophobicContact CG-CG1 4.48Å; M300-I333 HydrophobicContact CG-CG2 3.84Å; I303-I333 HydrophobicContact CD1-CD1 3.4Å; I303-I333 VanDerWaalsContact CD1-CD1 3.4Å; I303-I333 HydrophobicContact CD1-CG1 4.46Å; I303-I333 HydrophobicContact CG1-CD1 4.18Å; T330-I333 WeakPolarHBondContact O-CB 3.35Å; T330-I333 PolarHBondContact O-N 2.93Å; T330-I333 VanDerWaalsContact O-N 3.14Å; S331-I333 VanDerWaalsContact C-N 3.28Å
334	I	83.3	Confident	82.1	Confident	23 Å²	23	49.5 Å²	49.5	12%	0.118	28%	0.283	C	S	.	.	H	α-helix	trans	-65.2	-47.4	-173.8	-162.8	166.4	0	0	0	112.8	H146 E150 I242 F289 M300 T330 S331	H146-I334 HydrophobicContact CB-CD1 3.75Å; E150-I334 HydrophobicContact CG-CD1 3.51Å; E150-I334 HydrophobicContact CG-CG1 4.32Å; I242-I334 HydrophobicContact CG2-CD1 3.95Å; I242-I334 HydrophobicContact CG2-CG1 4.34Å; F289-I334 HydrophobicContact CE1-CG1 4.31Å; M300-I334 HydrophobicContact CE-CB 4.15Å; M300-I334 HydrophobicContact CE-CD1 4.36Å; M300-I334 HydrophobicContact CE-CG1 4.3Å; M300-I334 HydrophobicContact SD-CB 3.93Å; M300-I334 HydrophobicContact SD-CD1 4.4Å; T330-I334 PolarHBondContact O-N 2.77Å; S331-I334 WeakPolarHBondContact O-CG2 3.43Å
335	N	69	Low	81.7	Confident	60 Å²	60	50.9 Å²	50.9	32%	0.321	28%	0.28	S	S	.	.	S	Bend	trans	-97.7	-1.6	-172.7	-70.5	-28	0	0	0	114.6	E150 S331 E337	E150-N335 PolarHBondContact OE1-OD1 3.36Å; S331-N335 PolarHBondContact O-N 3.22Å; N335-E337 HydrophobicContact CB-CG 3.8Å; N335-E337 PolarHBondContact O-N 2.03Å; N335-E337 VanDerWaalsContact O-N 3.16Å
336	N	63.7	Low	80.9	Confident	125 Å²	125	53.3 Å²	53.3	67%	0.668	29%	0.292	S	S	*	.			trans	52.7	30.5	-170.7	-166.2	54.6	0	0	0	114.1	K297 L332	K297-N336 WeakPolarHBondContact CE-OD1 3.1Å; K297-N336 PolarHBondContact NZ-OD1 3.27Å; L332-N336 WeakPolarHBondContact O-CA 3.24Å; L332-N336 PolarHBondContact O-N 3.46Å
337	E	41.5	Very low	79.8	Confident	161 Å²	161	54.2 Å²	54.2	75%	0.752	30%	0.298	S	S	*	.			trans	-73.7	0	166.9	-67.2	175.7	-165.4	0	0	111.3	L332 N335	L332-E337 WeakPolarHBondContact CA-OXT 3.27Å; L332-E337 WeakPolarHBondContact CB-OXT 3.49Å; L332-E337 HydrophobicContact CD2-CB 4.02Å; L332-E337 WeakPolarHBondContact CD2-OXT 3Å; N335-E337 HydrophobicContact CB-CG 3.8Å; N335-E337 PolarHBondContact O-N 2.03Å; N335-E337 VanDerWaalsContact O-N 3.16Å

Retrieved 337 of 337 residues in 859.2 ms (Link to these results)

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