A0A077Z595_TRITR Loading...

3-hydroxyacyl-CoA dehydrogenase

AlphaFold DB , UniProt , Accession A0A077Z595, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 314 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.7	Very low	33.8	Very low	238 Å²	238	136.5 Å²	136.5	100%	1.172	82%	0.818	S	S	*	*				0	88.1	0	-162.7	174	178.2	0	0	107.6
2	I	33.1	Very low	33.6	Very low	162 Å²	162	144.9 Å²	144.9	83%	0.831	82%	0.824	S	S	*	*			trans	-130.6	104.2	173.9	-63	178.2	0	0	0	105.9	V4	I2-V4 PolarHBondContact O-N 3.33Å
3	C	30.5	Very low	33.4	Very low	130 Å²	130	149.8 Å²	149.8	88%	0.878	83%	0.831	S	S	*	*			trans	-65.8	116.7	172.3	-93.4	0	0	0	0	109.3	G5	C3-G5 PolarHBondContact O-N 3.46Å
4	V	36.3	Very low	33.7	Very low	144 Å²	144	150.5 Å²	150.5	87%	0.873	83%	0.831	S	S	*	*			trans	-90.9	98.7	164.9	-175.7	0	0	0	0	107.2	I2	I2-V4 PolarHBondContact O-N 3.33Å
5	G	35	Very low	34	Very low	62 Å²	62	149.1 Å²	149.1	64%	0.639	83%	0.829	S	S	*	*			trans	-87	126.6	179.1	0	0	0	0	0	112.7	C3	C3-G5 PolarHBondContact O-N 3.46Å
6	K	34.4	Very low	33.9	Very low	196 Å²	196	146.9 Å²	146.9	85%	0.852	83%	0.826	S	S	*	*			trans	59.9	106.2	140.4	-61.9	-175.2	177.7	-179.5	0	120.2
7	T	33	Very low	34.1	Very low	122 Å²	122	147.9 Å²	147.9	75%	0.748	83%	0.828	S	S	*	*				53.1	96.4	118.4	-33.4	0	0	0	0	118.5	A9	T7-A9 HydrophobicContact CG2-CB 3.94Å
8	V	37.5	Very low	34.3	Very low	139 Å²	139	144.8 Å²	144.8	84%	0.842	83%	0.825	S	S	*	*			trans	-100.7	86.6	155.7	-175.9	0	0	0	0	107.9
9	A	32.4	Very low	34.3	Very low	87 Å²	87	143.9 Å²	143.9	72%	0.719	82%	0.822	S	S	*	*			trans	-125.3	70.6	171.7	0	0	0	0	0	108.7	T7	T7-A9 HydrophobicContact CG2-CB 3.94Å
10	S	30.8	Very low	34.3	Very low	102 Å²	102	147.7 Å²	147.7	71%	0.713	82%	0.822	S	S	*	*			trans	-162.6	66.7	176.5	64.3	0	0	0	0	113.2
11	V	34.9	Very low	34.2	Very low	120 Å²	120	149.3 Å²	149.3	73%	0.727	82%	0.824	S	S	*	*			trans	-137.9	42.9	165.2	-160.7	0	0	0	0	111.7
12	W	31.3	Very low	34.6	Very low	237 Å²	237	146.7 Å²	146.7	90%	0.898	81%	0.806	S	S	*	*			trans	-147.1	63.1	163.5	-66.7	86.6	0	0	0	110
13	K	31.8	Very low	34.4	Very low	209 Å²	209	142.8 Å²	142.8	91%	0.909	81%	0.806	S	S	*	*			trans	-92.4	93.1	158.1	-90.8	-175.1	176.7	-178.7	0	107.2	T15	K13-T15 PolarHBondContact O-N 3.3Å
14	L	37.9	Very low	34.7	Very low	159 Å²	159	147.5 Å²	147.5	83%	0.832	81%	0.805	S	S	*	*			trans	-64.6	114.3	166.7	-83.8	154.6	0	0	0	108.2	S16	L14-S16 PolarHBondContact O-N 2.94Å
15	T	38.3	Very low	34.8	Very low	130 Å²	130	145.3 Å²	145.3	80%	0.798	80%	0.796	S	S	*	*			trans	-64.8	122.2	171	33.5	0	0	0	0	109.6	K13 L17	K13-T15 PolarHBondContact O-N 3.3Å; T15-L17 PolarHBondContact O-N 3.38Å
16	S	31.9	Very low	35.4	Very low	113 Å²	113	147.7 Å²	147.7	79%	0.79	80%	0.804	S	S	*	*			trans	-66.1	118.5	167.7	54.7	0	0	0	0	110	L14	L14-S16 PolarHBondContact O-N 2.94Å
17	L	37.4	Very low	36.2	Very low	164 Å²	164	145.6 Å²	145.6	86%	0.859	80%	0.797	S	S	*	*			trans	-152.5	123.9	158.1	-102.3	137.8	0	0	0	110.6	T15	T15-L17 PolarHBondContact O-N 3.38Å
18	A	37.8	Very low	37.2	Very low	92 Å²	92	149.5 Å²	149.5	76%	0.76	80%	0.798	S	S	*	*			trans	68.5	86.3	164.1	0	0	0	0	0	118.3	R20	A18-R20 PolarHBondContact O-N 3.4Å
19	V	33.2	Very low	38.6	Very low	128 Å²	128	146.1 Å²	146.1	78%	0.776	77%	0.773	S	S	*	*			trans	-53.6	109.7	149.6	174.7	0	0	0	0	109.2	Q21	V19-Q21 HydrophobicContact CG1-CG 3.86Å
20	R	35.7	Very low	41.1	Very low	219 Å²	219	145.9 Å²	145.9	83%	0.826	76%	0.76	S	S	*	*			trans	-108.2	100.1	151.9	-89.9	-172.9	171.4	-154.3	-1.8	107.6	A18 F22	A18-R20 PolarHBondContact O-N 3.4Å; R20-F22 PolarHBondContact O-N 3.44Å; R20-F22 VanDerWaalsContact O-N 3.1Å
21	Q	32.5	Very low	44.1	Very low	182 Å²	182	141.3 Å²	141.3	85%	0.85	73%	0.728	S	S	*	*			trans	-66.4	98.6	167.4	-80	175.9	-22.5	0	0	108.9	V19	V19-Q21 HydrophobicContact CG1-CG 3.86Å
22	F	40.3	Very low	46.8	Very low	183 Å²	183	140.2 Å²	140.2	80%	0.803	72%	0.718	S	S	*	*			trans	-94	108.3	149.2	-86.4	-80.9	0	0	0	107	R20 R24	R20-F22 PolarHBondContact O-N 3.44Å; R20-F22 VanDerWaalsContact O-N 3.1Å; F22-R24 PolarHBondContact O-N 3.26Å
23	G	30.2	Very low	49.9	Very low	81 Å²	81	133 Å²	133	84%	0.835	70%	0.697	S	S	*	*			trans	-61.7	96.3	174.3	0	0	0	0	0	110.6
24	R	36.6	Very low	53	Low	228 Å²	228	123.1 Å²	123.1	86%	0.86	65%	0.654	S	S	*	*			trans	-97.9	117.2	138.8	-93.2	-177.2	172.4	-170.7	-2.5	105.6	F22 S26	F22-R24 PolarHBondContact O-N 3.26Å; R24-S26 PolarHBondContact O-N 2.91Å
25	S	38.8	Very low	55.9	Low	98 Å²	98	115.6 Å²	115.6	69%	0.685	62%	0.615	S	S	*	*			trans	-37.2	118.3	164.3	176.2	0	0	0	0	108.2	Q27	S25-Q27 PolarHBondContact O-N 3.3Å
26	S	46.5	Very low	58.8	Low	113 Å²	113	109.4 Å²	109.4	79%	0.79	58%	0.577	S	S	*	*			trans	-67.8	74.4	167.2	60.6	0	0	0	0	106.3	R24 R28	R24-S26 PolarHBondContact O-N 2.91Å; S26-R28 PolarHBondContact O-N 3.24Å
27	Q	52.4	Low	62	Low	152 Å²	152	104.5 Å²	104.5	71%	0.71	54%	0.542	S	S	*	.			trans	-57	118	169.1	-80.5	-168.2	-23.8	0	0	105.7	S25 M29	S25-Q27 PolarHBondContact O-N 3.3Å; Q27-M29 PolarHBondContact O-N 2.97Å
28	R	52.3	Low	64.9	Low	203 Å²	203	97 Å²	97	77%	0.766	50%	0.503	S	S	*	.			trans	-58.4	110.4	178	-145.6	175.3	-175.4	160.3	1.9	105.8	S26 D30	S26-R28 PolarHBondContact O-N 3.24Å; R28-D30 WeakPolarHBondContact CD-OD2 3.1Å; R28-D30 IonicContact NE-OD1 3.71Å; R28-D30 PolarHBondContact O-N 2.92Å
29	M	68.5	Low	67.7	Low	68 Å²	68	92.8 Å²	92.8	34%	0.335	47%	0.468	S	S	.	.			trans	-75.6	63.8	175.4	-71.4	-85.8	-75.7	0	0	108.7	Q27 I31 E141 L143 A196	Q27-M29 PolarHBondContact O-N 2.97Å; M29-I31 PolarHBondContact O-N 3.09Å; M29-I31 VanDerWaalsContact O-N 3.11Å; M29-E141 WeakPolarHBondContact CE-O 3.41Å; M29-E141 HydrophobicContact SD-CB 4.48Å; M29-L143 HydrophobicContact CE-CD1 4.1Å; M29-L143 HydrophobicContact CE-CD2 3.22Å; M29-L143 HydrophobicContact CE-CG 3.51Å; M29-A196 HydrophobicContact CB-CB 3.92Å
30	D	85.3	Confident	70.7	Confident	82 Å²	82	88.7 Å²	88.7	44%	0.439	45%	0.453	S	S	.	.			trans	-73.3	102.6	176.7	-73.1	-26	0	0	0	108	R28 N32	R28-D30 WeakPolarHBondContact CD-OD2 3.1Å; R28-D30 IonicContact NE-OD1 3.71Å; R28-D30 PolarHBondContact O-N 2.92Å; D30-N32 PolarHBondContact O-N 3.37Å; D30-N32 VanDerWaalsContact O-N 3.13Å; D30-N32 PolarHBondContact O-ND2 3.47Å; D30-N32 VanDerWaalsContact O-ND2 3.09Å
31	I	93.2	Very high	73.5	Confident	6 Å²	6	84 Å²	84	3%	0.031	44%	0.443	C	S	.	.			trans	-71.4	106	-179.9	-67.7	157.6	0	0	0	108.6	M29 V34 D114 L115 L143 A196 Y200 R203	M29-I31 PolarHBondContact O-N 3.09Å; M29-I31 VanDerWaalsContact O-N 3.11Å; I31-V34 HydrophobicContact CG2-CG2 3.63Å; I31-D114 HydrophobicContact CB-CB 4.34Å; I31-D114 HydrophobicContact CG1-CB 4.35Å; I31-D114 HydrophobicContact CG2-CB 4.33Å; I31-L115 HydrophobicContact CD1-CB 4.49Å; I31-L115 HydrophobicContact CD1-CD2 4.39Å; I31-L115 HydrophobicContact CG1-CB 4.31Å; I31-L115 HydrophobicContact CG2-CB 3.58Å; I31-L115 HydrophobicContact CG2-CD2 4.02Å; I31-L115 HydrophobicContact CG2-CG 4.46Å; I31-L143 HydrophobicContact CD1-CD1 4.05Å; I31-A196 HydrophobicContact CD1-CB 4.31Å; I31-Y200 HydrophobicContact CB-CD2 4.33Å; I31-Y200 HydrophobicContact CD1-CD2 4.41Å; I31-Y200 HydrophobicContact CD1-CG 4.21Å; I31-Y200 HydrophobicContact CG2-CD2 3.81Å; I31-Y200 HydrophobicContact CG2-CE2 4.15Å; I31-R203 PolarHBondContact O-NH1 2.83Å; I31-R203 PolarHBondContact O-NH2 2.92Å
32	N	92	Very high	76.5	Confident	98 Å²	98	77.2 Å²	77.2	52%	0.524	41%	0.412	S	S	.	.			trans	-111.8	-41.3	178.8	-66	-59	0	0	0	111.7	D30 D114	D30-N32 PolarHBondContact O-N 3.37Å; D30-N32 VanDerWaalsContact O-N 3.13Å; D30-N32 PolarHBondContact O-ND2 3.47Å; D30-N32 VanDerWaalsContact O-ND2 3.09Å; N32-D114 WeakPolarHBondContact CA-OD2 3.19Å; N32-D114 PolarHBondContact N-OD2 3.05Å
33	N	95.1	Very high	79.3	Confident	84 Å²	84	68.5 Å²	68.5	45%	0.449	37%	0.374	S	S	.	.			trans	-100.2	103.2	179.9	-61.3	-37.2	0	0	0	109.6	N112 D114 L115	N33-N112 WeakPolarHBondContact CB-O 3.31Å; N33-N112 PolarHBondContact ND2-O 2.97Å; N33-D114 PolarHBondContact N-OD2 2.97Å; N33-D114 PolarHBondContact O-N 2.84Å; N33-L115 PolarHBondContact O-N 3.5Å
34	V	97.9	Very high	82.4	Confident	2 Å²	2	65.1 Å²	65.1	1%	0.012	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	129.1	177.4	-177	0	0	0	0	109.5	I31 I36 V53 S54 L115 I117 Y200	I31-V34 HydrophobicContact CG2-CG2 3.63Å; V34-I36 HydrophobicContact CG1-CG1 4.19Å; V34-V53 HydrophobicContact CB-CG1 4.01Å; V34-V53 HydrophobicContact CG1-CG1 4.29Å; V34-V53 CarbonylContact O-C 3.27Å; V34-V53 WeakPolarHBondContact O-CA 3.49Å; V34-S54 PolarHBondContact O-N 3.27Å; V34-L115 CarbonylContact C-O 3.33Å; V34-L115 WeakPolarHBondContact CA-O 3.38Å; V34-L115 HydrophobicContact CG1-CD2 4.26Å; V34-L115 HydrophobicContact CG1-CG 4.43Å; V34-L115 HydrophobicContact CG2-CB 4.43Å; V34-L115 HydrophobicContact CG2-CD2 4.39Å; V34-I117 HydrophobicContact CG1-CD1 3.82Å; V34-I117 HydrophobicContact CG1-CG1 4.18Å; V34-Y200 HydrophobicContact CG2-CE2 3.76Å
35	V	98.5	Very high	85.3	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.012	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	130.6	172.5	-177.6	0	0	0	0	108.3	I37 S54 V56 A109 A113 L115 C116 I117	V35-I37 HydrophobicContact CG1-CD1 3.9Å; V35-I37 HydrophobicContact CG1-CG1 4.27Å; V35-S54 CarbonylContact C-O 3.49Å; V35-S54 WeakPolarHBondContact CA-O 3.38Å; V35-V56 HydrophobicContact CG1-CG2 3.75Å; V35-A109 HydrophobicContact CG1-CB 3.92Å; V35-A109 HydrophobicContact CG2-CB 4.3Å; V35-A109 WeakPolarHBondContact CG2-O 3.28Å; V35-A113 HydrophobicContact CB-CB 4.41Å; V35-A113 HydrophobicContact CG2-CB 3.58Å; V35-L115 PolarHBondContact N-O 3.18Å; V35-C116 CarbonylContact O-C 3.55Å; V35-C116 WeakPolarHBondContact O-CA 3.22Å; V35-I117 PolarHBondContact O-N 2.73Å
36	I	98.6	Very high	88.1	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	124	176.9	-59.1	166.5	0	0	0	107.3	V34 I46 A47 V53 S54 L55 V56 I117	V34-I36 HydrophobicContact CG1-CG1 4.19Å; I36-I46 HydrophobicContact CD1-CB 4.11Å; I36-I46 HydrophobicContact CD1-CG2 3.66Å; I36-I46 HydrophobicContact CG1-CG2 4.24Å; I36-A47 HydrophobicContact CD1-CB 3.82Å; I36-V53 HydrophobicContact CD1-CB 4.09Å; I36-V53 HydrophobicContact CD1-CG1 4.07Å; I36-V53 HydrophobicContact CD1-CG2 4.14Å; I36-S54 PolarHBondContact N-O 2.99Å; I36-L55 HydrophobicContact CB-CD1 3.92Å; I36-L55 HydrophobicContact CG2-CD1 3.78Å; I36-V56 PolarHBondContact O-N 3.2Å; I36-I117 CarbonylContact C-O 3.53Å; I36-I117 WeakPolarHBondContact CA-O 3.39Å; I36-I117 HydrophobicContact CG1-CB 4.36Å; I36-I117 HydrophobicContact CG1-CD1 4.43Å
37	I	98.6	Very high	90.5	Very high	10 Å²	10	44.5 Å²	44.5	5%	0.051	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	122.1	-177.2	-53.3	82.6	0	0	0	108.9	V35 L106 C116 I117 A119 I120 L130 L134	V35-I37 HydrophobicContact CG1-CD1 3.9Å; V35-I37 HydrophobicContact CG1-CG1 4.27Å; I37-L106 HydrophobicContact CD1-CD1 4.47Å; I37-L106 HydrophobicContact CG1-CD1 3.65Å; I37-C116 HydrophobicContact CD1-CB 4.21Å; I37-I117 PolarHBondContact N-O 3.41Å; I37-A119 CarbonylContact O-C 3.56Å; I37-A119 VanDerWaalsContact O-C 3.27Å; I37-A119 WeakPolarHBondContact O-CA 3.48Å; I37-A119 PolarHBondContact O-N 3.29Å; I37-I120 HydrophobicContact CG2-CG2 3.85Å; I37-I120 PolarHBondContact O-N 3.19Å; I37-L130 HydrophobicContact CB-CD2 4.1Å; I37-L130 HydrophobicContact CG2-CD1 3.97Å; I37-L130 HydrophobicContact CG2-CD2 3.67Å; I37-L130 HydrophobicContact CG2-CG 4.48Å; I37-L134 HydrophobicContact CD1-CD1 4.12Å; I37-L134 HydrophobicContact CD1-CD2 4.07Å; I37-L134 HydrophobicContact CG1-CD2 4.45Å
38	G	98.3	Very high	92.5	Very high	5 Å²	5	37.8 Å²	37.8	5%	0.052	20%	0.197	C	C	.	.			trans	96.9	119.2	-170.3	0	0	0	0	0	110.7	G43 V56	G38-G43 VanDerWaalsContact O-CA 3.31Å; G38-G43 WeakPolarHBondContact O-CA 3.3Å; G38-V56 PolarHBondContact N-O 3.45Å
39	S	97.8	Very high	94.3	Very high	4 Å²	4	29.5 Å²	29.5	3%	0.028	17%	0.168	C	C	.	.			trans	-106.4	17.3	-177.3	77.4	0	0	0	0	113.1	D57 I62 S66	S39-D57 WeakPolarHBondContact CA-OD2 3.47Å; S39-D57 WeakPolarHBondContact CB-OD2 3.49Å; S39-D57 PolarHBondContact N-OD2 3.32Å; S39-D57 PolarHBondContact OG-OD2 3.36Å; S39-I62 WeakPolarHBondContact OG-CG2 3.44Å; S39-S66 WeakPolarHBondContact CB-OG 3.26Å; S39-S66 WeakPolarHBondContact O-CB 3.45Å; S39-S66 PolarHBondContact O-OG 3.44Å; S39-S66 WeakPolarHBondContact OG-CB 3.29Å
40	G	96	Very high	94.7	Very high	43 Å²	43	27.2 Å²	27.2	44%	0.443	16%	0.161	S	C	.	.	S	Bend	trans	-66.1	-163.2	171.1	0	0	0	0	0	113.2	M42 S44	G40-M42 VanDerWaalsContact C-N 3.32Å; G40-M42 PolarHBondContact O-N 3.19Å; G40-S44 WeakPolarHBondContact O-CB 3.39Å; G40-S44 PolarHBondContact O-N 3.48Å; G40-S44 PolarHBondContact O-OG 3.03Å
41	L	94.1	Very high	94.8	Very high	119 Å²	119	24.4 Å²	24.4	62%	0.623	15%	0.148	S	C	*	.	H	α-helix	trans	-52.9	-47.3	-174	-178.6	63.2	0	0	0	113.1	S44 G45	L41-S44 PolarHBondContact O-OG 3.48Å; L41-G45 PolarHBondContact O-N 3.37Å
42	M	96.3	Very high	94.7	Very high	41 Å²	41	33.6 Å²	33.6	20%	0.202	18%	0.182	C	C	.	.	H	α-helix	trans	-75.9	-54.6	-176	-62.7	-51.4	-66.4	0	0	112.2	G40 S44 G45 I46 A119 F171 N173 V175	G40-M42 VanDerWaalsContact C-N 3.32Å; G40-M42 PolarHBondContact O-N 3.19Å; M42-S44 PolarHBondContact O-N 2.86Å; M42-G45 CarbonylContact O-C 3.5Å; M42-G45 WeakPolarHBondContact O-CA 3.47Å; M42-G45 PolarHBondContact O-N 3Å; M42-I46 VanDerWaalsContact O-CG1 3.3Å; M42-I46 WeakPolarHBondContact O-CG1 3.37Å; M42-I46 PolarHBondContact O-N 3.3Å; M42-A119 HydrophobicContact CB-CB 4.37Å; M42-F171 HydrophobicContact CE-CB 4.24Å; M42-F171 WeakPolarHBondContact CE-O 3.4Å; M42-N173 HydrophobicContact SD-CB 3.9Å; M42-V175 HydrophobicContact CE-CG2 3.51Å; M42-V175 HydrophobicContact SD-CG2 4.16Å
43	G	97.5	Very high	95	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-63.4	-38.3	-176.8	0	0	0	0	0	113.6	G38 G45 I46 A47	G38-G43 VanDerWaalsContact O-CA 3.31Å; G38-G43 WeakPolarHBondContact O-CA 3.3Å; G43-G45 VanDerWaalsContact C-N 3.32Å; G43-G45 PolarHBondContact O-N 2.91Å; G43-I46 PolarHBondContact O-N 2.94Å; G43-A47 WeakPolarHBondContact O-CB 3.47Å; G43-A47 PolarHBondContact O-N 2.88Å
44	S	96.9	Very high	95.1	Very high	10 Å²	10	26.8 Å²	26.8	7%	0.07	15%	0.148	C	C	.	.	H	α-helix	trans	-64.1	-37.4	171.3	67	0	0	0	0	112.3	G40 L41 M42 A47 Q48 S66 M70	G40-S44 WeakPolarHBondContact O-CB 3.39Å; G40-S44 PolarHBondContact O-N 3.48Å; G40-S44 PolarHBondContact O-OG 3.03Å; L41-S44 PolarHBondContact O-OG 3.48Å; M42-S44 PolarHBondContact O-N 2.86Å; S44-A47 PolarHBondContact O-N 2.93Å; S44-Q48 WeakPolarHBondContact O-CG 3.17Å; S44-Q48 PolarHBondContact O-N 3.2Å; S44-Q48 PolarHBondContact O-NE2 3.24Å; S44-S66 WeakPolarHBondContact CB-OG 3.5Å; S44-M70 VanDerWaalsContact O-SD 3.33Å
45	G	96.2	Very high	95.1	Very high	3 Å²	3	26.7 Å²	26.7	3%	0.031	15%	0.148	C	C	.	.	H	α-helix	trans	-64.7	-40.4	173.2	0	0	0	0	0	113.1	L41 M42 G43 Q48 N49	L41-G45 PolarHBondContact O-N 3.37Å; M42-G45 CarbonylContact O-C 3.5Å; M42-G45 WeakPolarHBondContact O-CA 3.47Å; M42-G45 PolarHBondContact O-N 3Å; G43-G45 VanDerWaalsContact C-N 3.32Å; G43-G45 PolarHBondContact O-N 2.91Å; G45-Q48 PolarHBondContact O-N 3.4Å; G45-N49 PolarHBondContact O-ND2 3.23Å
46	I	97.2	Very high	95.2	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.015	15%	0.149	C	C	.	.	H	α-helix	trans	-66	-43.4	177	-63.9	165	0	0	0	109.7	I36 M42 G43 Q48 N49 I117 A119 N147 F171 V175	I36-I46 HydrophobicContact CD1-CB 4.11Å; I36-I46 HydrophobicContact CD1-CG2 3.66Å; I36-I46 HydrophobicContact CG1-CG2 4.24Å; M42-I46 VanDerWaalsContact O-CG1 3.3Å; M42-I46 WeakPolarHBondContact O-CG1 3.37Å; M42-I46 PolarHBondContact O-N 3.3Å; G43-I46 PolarHBondContact O-N 2.94Å; I46-Q48 PolarHBondContact O-N 2.77Å; I46-Q48 VanDerWaalsContact O-N 3.15Å; I46-N49 WeakPolarHBondContact CA-ND2 3.35Å; I46-N49 PolarHBondContact O-N 3.4Å; I46-N49 VanDerWaalsContact O-N 3.12Å; I46-N49 PolarHBondContact O-ND2 3.37Å; I46-I117 HydrophobicContact CD1-CG2 4.14Å; I46-I117 HydrophobicContact CG2-CD1 3.98Å; I46-A119 HydrophobicContact CD1-CB 4.37Å; I46-N147 HydrophobicContact CD1-CB 4.31Å; I46-F171 HydrophobicContact CD1-CB 4.44Å; I46-F171 HydrophobicContact CD1-CD2 3.63Å; I46-F171 HydrophobicContact CD1-CE2 4.09Å; I46-F171 HydrophobicContact CD1-CG 4.17Å; I46-F171 HydrophobicContact CG1-CB 4.24Å; I46-F171 HydrophobicContact CG1-CD1 4.38Å; I46-F171 HydrophobicContact CG1-CD2 3.78Å; I46-F171 HydrophobicContact CG1-CE2 4.17Å; I46-F171 HydrophobicContact CG1-CG 3.89Å; I46-F171 HydrophobicContact CG2-CE2 4.2Å; I46-F171 HydrophobicContact CG2-CZ 4.25Å; I46-V175 HydrophobicContact CG1-CG1 3.96Å; I46-V175 HydrophobicContact CG1-CG2 4.39Å
47	A	97	Very high	95.1	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-59.3	-27.8	179.4	0	0	0	0	0	113.5	I36 G43 S44 N49 V53 L55 M70 I100	I36-A47 HydrophobicContact CD1-CB 3.82Å; G43-A47 WeakPolarHBondContact O-CB 3.47Å; G43-A47 PolarHBondContact O-N 2.88Å; S44-A47 PolarHBondContact O-N 2.93Å; A47-N49 VanDerWaalsContact C-N 3.28Å; A47-N49 PolarHBondContact O-N 3Å; A47-V53 HydrophobicContact CB-CG2 3.93Å; A47-L55 HydrophobicContact CB-CD1 4.45Å; A47-L55 HydrophobicContact CB-CD2 4.33Å; A47-M70 HydrophobicContact CB-SD 4.21Å; A47-I100 HydrophobicContact CB-CD1 4.03Å; A47-I100 HydrophobicContact CB-CG1 4.33Å; A47-I100 HydrophobicContact CB-CG2 4.45Å
48	Q	94.9	Very high	95.1	Very high	10 Å²	10	33.3 Å²	33.3	5%	0.047	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-5.8	179.2	-72.7	165.5	70.2	0	0	114.7	S44 G45 I46 G50 M70 S73 L74 P176	S44-Q48 WeakPolarHBondContact O-CG 3.17Å; S44-Q48 PolarHBondContact O-N 3.2Å; S44-Q48 PolarHBondContact O-NE2 3.24Å; G45-Q48 PolarHBondContact O-N 3.4Å; I46-Q48 PolarHBondContact O-N 2.77Å; I46-Q48 VanDerWaalsContact O-N 3.15Å; Q48-G50 PolarHBondContact O-N 3.15Å; Q48-M70 HydrophobicContact CG-CB 4.36Å; Q48-M70 HydrophobicContact CG-CG 4.16Å; Q48-M70 HydrophobicContact CG-SD 4.01Å; Q48-S73 PolarHBondContact OE1-OG 3.36Å; Q48-L74 HydrophobicContact CB-CD2 4.17Å; Q48-L74 HydrophobicContact CG-CD1 4.27Å; Q48-L74 HydrophobicContact CG-CD2 3.99Å; Q48-L74 HydrophobicContact CG-CG 4.05Å; Q48-P176 HydrophobicContact CB-CG 4.07Å
49	N	89.7	Confident	95	Very high	30 Å²	30	34.9 Å²	34.9	16%	0.16	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	12.5	-174.7	-68.7	-83.4	0	0	0	115	G45 I46 A47 C51 V175 L204 K206	G45-N49 PolarHBondContact O-ND2 3.23Å; I46-N49 WeakPolarHBondContact CA-ND2 3.35Å; I46-N49 PolarHBondContact O-N 3.4Å; I46-N49 VanDerWaalsContact O-N 3.12Å; I46-N49 PolarHBondContact O-ND2 3.37Å; A47-N49 VanDerWaalsContact C-N 3.28Å; A47-N49 PolarHBondContact O-N 3Å; N49-C51 PolarHBondContact O-N 3.42Å; N49-V175 WeakPolarHBondContact ND2-CG1 3.43Å; N49-L204 HydrophobicContact CB-CD1 4.47Å; N49-L204 HydrophobicContact CB-CD2 4.04Å; N49-K206 WeakPolarHBondContact OD1-CE 3.43Å; N49-K206 PolarHBondContact OD1-NZ 3.22Å
50	G	77.4	Confident	95	Very high	19 Å²	19	40.1 Å²	40.1	20%	0.196	23%	0.226	C	C	.	.	S	Bend	trans	85.5	-1	164.3	0	0	0	0	0	116.2	Q48 R99	Q48-G50 PolarHBondContact O-N 3.15Å; G50-R99 WeakPolarHBondContact O-CD 3.21Å; G50-R99 PolarHBondContact O-NH1 2.92Å
51	C	86.7	Confident	95.1	Very high	23 Å²	23	45.9 Å²	45.9	16%	0.155	24%	0.241	C	C	.	.	S	Bend	trans	-77.5	158.9	164.7	-69.2	0	0	0	0	110.8	N49 V53 L204	N49-C51 PolarHBondContact O-N 3.42Å; C51-V53 HydrophobicContact CB-CG1 4.31Å; C51-V53 PolarHBondContact O-N 2.85Å; C51-L204 WeakPolarHBondContact SG-CD2 3.4Å
52	R	92.7	Very high	95.3	Very high	199 Å²	199	43.3 Å²	43.3	75%	0.751	23%	0.227	S	C	*	.			trans	-70.1	126.6	166.3	-73	-177.9	179.4	172.6	-0.1	108.8	R99	R52-R99 CarbonylContact C-O 3.35Å; R52-R99 WeakPolarHBondContact CA-O 3.4Å; R52-R99 HydrophobicContact CG-CB 4.18Å; R52-R99 HydrophobicContact CG-CG 4.14Å
53	V	97.2	Very high	95.4	Very high	7 Å²	7	41.7 Å²	41.7	4%	0.042	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	151	-176.7	-50.6	0	0	0	0	111.3	V34 I36 A47 C51 R99 I100 T101	V34-V53 HydrophobicContact CB-CG1 4.01Å; V34-V53 HydrophobicContact CG1-CG1 4.29Å; V34-V53 CarbonylContact O-C 3.27Å; V34-V53 WeakPolarHBondContact O-CA 3.49Å; I36-V53 HydrophobicContact CD1-CB 4.09Å; I36-V53 HydrophobicContact CD1-CG1 4.07Å; I36-V53 HydrophobicContact CD1-CG2 4.14Å; A47-V53 HydrophobicContact CB-CG2 3.93Å; C51-V53 HydrophobicContact CB-CG1 4.31Å; C51-V53 PolarHBondContact O-N 2.85Å; V53-R99 PolarHBondContact N-O 3.06Å; V53-I100 HydrophobicContact CG2-CB 4.31Å; V53-I100 HydrophobicContact CG2-CG1 3.93Å; V53-I100 HydrophobicContact CG2-CG2 4.18Å; V53-T101 PolarHBondContact O-N 3.27Å
54	S	98.1	Very high	95.4	Very high	32 Å²	32	44.4 Å²	44.4	22%	0.224	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	116.1	162.8	-64.6	0	0	0	0	108.6	V34 V35 I36 T101	V34-S54 PolarHBondContact O-N 3.27Å; V35-S54 CarbonylContact C-O 3.49Å; V35-S54 WeakPolarHBondContact CA-O 3.38Å; I36-S54 PolarHBondContact N-O 2.99Å; S54-T101 CarbonylContact C-O 3.58Å; S54-T101 VanDerWaalsContact CA-O 3.32Å; S54-T101 WeakPolarHBondContact CA-O 3.38Å
55	L	98.4	Very high	95.5	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	118	175	-175.5	61.4	0	0	0	109.5	I36 A47 L63 M70 I100 T101 M102 T103	I36-L55 HydrophobicContact CB-CD1 3.92Å; I36-L55 HydrophobicContact CG2-CD1 3.78Å; A47-L55 HydrophobicContact CB-CD1 4.45Å; A47-L55 HydrophobicContact CB-CD2 4.33Å; L55-L63 HydrophobicContact CG-CD2 4.46Å; L55-M70 HydrophobicContact CD2-CE 3.74Å; L55-M70 HydrophobicContact CD2-SD 4.41Å; L55-I100 HydrophobicContact CB-CG2 3.95Å; L55-I100 HydrophobicContact CD2-CG2 4.34Å; L55-T101 PolarHBondContact N-O 2.82Å; L55-M102 HydrophobicContact CB-CG 4.4Å; L55-M102 HydrophobicContact CD2-CE 4.14Å; L55-M102 WeakPolarHBondContact O-CA 3.38Å; L55-T103 PolarHBondContact O-N 2.89Å
56	V	98.6	Very high	95.5	Very high	5 Å²	5	50.8 Å²	50.8	3%	0.03	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	134.7	-174.5	-172.2	0	0	0	0	110.2	V35 I36 G38 T103 L106 A109	V35-V56 HydrophobicContact CG1-CG2 3.75Å; I36-V56 PolarHBondContact O-N 3.2Å; G38-V56 PolarHBondContact N-O 3.45Å; V56-T103 VanDerWaalsContact CA-O 3.29Å; V56-T103 WeakPolarHBondContact CA-O 3.23Å; V56-T103 HydrophobicContact CG2-CG2 3.95Å; V56-L106 HydrophobicContact CG1-CB 4.21Å; V56-L106 HydrophobicContact CG1-CD1 4.26Å; V56-A109 HydrophobicContact CG2-CB 3.47Å; V56-A109 VanDerWaalsContact CG2-CB 3.47Å
57	D	98.3	Very high	95.5	Very high	24 Å²	24	54.8 Å²	54.8	13%	0.128	28%	0.279	C	S	.	.			trans	-147.6	173.5	168.5	-143.2	-44	0	0	0	110.8	S39 S59 I62 L63 T103 T104	S39-D57 WeakPolarHBondContact CA-OD2 3.47Å; S39-D57 WeakPolarHBondContact CB-OD2 3.49Å; S39-D57 PolarHBondContact N-OD2 3.32Å; S39-D57 PolarHBondContact OG-OD2 3.36Å; D57-S59 VanDerWaalsContact C-N 3.35Å; D57-S59 PolarHBondContact O-N 3.32Å; D57-I62 HydrophobicContact CB-CG2 4.28Å; D57-I62 VanDerWaalsContact OD2-CG2 3.23Å; D57-I62 WeakPolarHBondContact OD2-CG2 3.45Å; D57-L63 HydrophobicContact CB-CD2 3.65Å; D57-L63 HydrophobicContact CB-CG 3.87Å; D57-T103 PolarHBondContact N-O 3.01Å; D57-T104 VanDerWaalsContact O-CA 3.31Å; D57-T104 WeakPolarHBondContact O-CA 3.37Å
58	V	96.8	Very high	95.5	Very high	123 Å²	123	61 Å²	61	75%	0.745	31%	0.306	S	S	*	.	S	Bend	trans	-76.7	-17.4	-170.9	-59.8	0	0	0	0	114.2	I62	V58-I62 HydrophobicContact CG2-CD1 3.58Å
59	S	97.6	Very high	95.5	Very high	37 Å²	37	64.9 Å²	64.9	26%	0.259	33%	0.327	S	S	.	.			trans	-151.1	152.2	179.4	77	0	0	0	0	113.7	D57 E61 I62 L63	D57-S59 VanDerWaalsContact C-N 3.35Å; D57-S59 PolarHBondContact O-N 3.32Å; S59-E61 PolarHBondContact O-N 2.82Å; S59-I62 PolarHBondContact O-N 3.24Å; S59-I62 WeakPolarHBondContact OG-CG1 3.49Å; S59-I62 PolarHBondContact OG-N 3.38Å; S59-L63 WeakPolarHBondContact O-CG 3.2Å; S59-L63 PolarHBondContact O-N 3.06Å; S59-L63 VanDerWaalsContact O-N 3.11Å
60	D	97.9	Very high	95.8	Very high	115 Å²	115	63.4 Å²	63.4	62%	0.615	32%	0.319	S	S	*	.	H	α-helix	trans	-63.3	-28.2	175.1	-68.2	-43.2	0	0	0	112.5	L63 S64 T104	D60-L63 PolarHBondContact O-N 3.43Å; D60-S64 WeakPolarHBondContact O-CB 3.41Å; D60-S64 PolarHBondContact O-N 3.09Å; D60-T104 WeakPolarHBondContact OD1-CG2 3.32Å
61	E	97.9	Very high	96.6	Very high	163 Å²	163	66.6 Å²	66.6	76%	0.762	33%	0.329	S	S	*	.	H	α-helix	trans	-63.4	-48	175.2	-173.6	-174	169.9	0	0	111.3	S59 S64 K65	S59-E61 PolarHBondContact O-N 2.82Å; E61-S64 PolarHBondContact O-N 3.45Å; E61-K65 PolarHBondContact O-N 3.26Å
62	I	97.9	Very high	96.9	Very high	66 Å²	66	69.1 Å²	69.1	34%	0.338	34%	0.343	S	S	.	.	H	α-helix	trans	-65.3	-42.8	178.4	-65.3	168.2	0	0	0	110	S39 D57 V58 S59 S64 K65 S66	S39-I62 WeakPolarHBondContact OG-CG2 3.44Å; D57-I62 HydrophobicContact CB-CG2 4.28Å; D57-I62 VanDerWaalsContact OD2-CG2 3.23Å; D57-I62 WeakPolarHBondContact OD2-CG2 3.45Å; V58-I62 HydrophobicContact CG2-CD1 3.58Å; S59-I62 PolarHBondContact O-N 3.24Å; S59-I62 WeakPolarHBondContact OG-CG1 3.49Å; S59-I62 PolarHBondContact OG-N 3.38Å; I62-S64 VanDerWaalsContact C-N 3.35Å; I62-S64 PolarHBondContact O-N 3.28Å; I62-K65 PolarHBondContact O-N 3.49Å; I62-S66 WeakPolarHBondContact O-CB 3.34Å; I62-S66 PolarHBondContact O-N 3.11Å
63	L	98.4	Very high	96.9	Very high	6 Å²	6	61.1 Å²	61.1	3%	0.031	32%	0.318	C	S	.	.	H	α-helix	trans	-62	-40.7	176	-70.1	169.6	0	0	0	112.2	L55 D57 S59 D60 S66 R67 M102 T104	L55-L63 HydrophobicContact CG-CD2 4.46Å; D57-L63 HydrophobicContact CB-CD2 3.65Å; D57-L63 HydrophobicContact CB-CG 3.87Å; S59-L63 WeakPolarHBondContact O-CG 3.2Å; S59-L63 PolarHBondContact O-N 3.06Å; S59-L63 VanDerWaalsContact O-N 3.11Å; D60-L63 PolarHBondContact O-N 3.43Å; L63-S66 WeakPolarHBondContact O-CB 3.47Å; L63-S66 PolarHBondContact O-N 3.25Å; L63-R67 PolarHBondContact O-N 3.12Å; L63-M102 HydrophobicContact CB-SD 4.41Å; L63-M102 HydrophobicContact CD1-CB 4.36Å; L63-M102 HydrophobicContact CD2-CB 4.21Å; L63-M102 HydrophobicContact CD2-CG 4.28Å; L63-T104 HydrophobicContact CD1-CG2 3.8Å
64	S	97.9	Very high	96.6	Very high	57 Å²	57	60.8 Å²	60.8	40%	0.399	32%	0.316	S	S	.	.	H	α-helix	trans	-63.7	-42.5	176	-177.8	0	0	0	0	111.8	D60 E61 I62 R67 K68	D60-S64 WeakPolarHBondContact O-CB 3.41Å; D60-S64 PolarHBondContact O-N 3.09Å; E61-S64 PolarHBondContact O-N 3.45Å; I62-S64 VanDerWaalsContact C-N 3.35Å; I62-S64 PolarHBondContact O-N 3.28Å; S64-R67 WeakPolarHBondContact O-CB 3.31Å; S64-R67 PolarHBondContact O-N 3.5Å; S64-K68 WeakPolarHBondContact O-CG 3.46Å; S64-K68 PolarHBondContact O-N 3.09Å
65	K	97.9	Very high	96.3	Very high	145 Å²	145	60.4 Å²	60.4	63%	0.63	32%	0.317	S	S	*	.	H	α-helix	trans	-62.7	-43	172.5	-175.5	178.2	-179.3	178.2	0	111.4	E61 I62 K68 N69	E61-K65 PolarHBondContact O-N 3.26Å; I62-K65 PolarHBondContact O-N 3.49Å; K65-K68 PolarHBondContact O-N 3.02Å; K65-N69 VanDerWaalsContact O-CG 3.3Å; K65-N69 PolarHBondContact O-N 2.75Å; K65-N69 PolarHBondContact O-ND2 3.39Å
66	S	97.6	Very high	95.9	Very high	2 Å²	2	69 Å²	69	1%	0.014	35%	0.35	C	S	.	.	H	α-helix	trans	-60.4	-45.3	177	-169.1	0	0	0	0	111.9	S39 S44 I62 L63 K68 N69 M70	S39-S66 WeakPolarHBondContact CB-OG 3.26Å; S39-S66 WeakPolarHBondContact O-CB 3.45Å; S39-S66 PolarHBondContact O-OG 3.44Å; S39-S66 WeakPolarHBondContact OG-CB 3.29Å; S44-S66 WeakPolarHBondContact CB-OG 3.5Å; I62-S66 WeakPolarHBondContact O-CB 3.34Å; I62-S66 PolarHBondContact O-N 3.11Å; L63-S66 WeakPolarHBondContact O-CB 3.47Å; L63-S66 PolarHBondContact O-N 3.25Å; S66-K68 PolarHBondContact O-N 3.32Å; S66-N69 PolarHBondContact O-N 3.18Å; S66-M70 WeakPolarHBondContact O-CG 3.39Å; S66-M70 PolarHBondContact O-N 3.03Å
67	R	97.3	Very high	95.4	Very high	88 Å²	88	69.4 Å²	69.4	33%	0.332	35%	0.352	S	S	.	.	H	α-helix	trans	-52.8	-52.8	174.6	-179.5	171	-69.2	-84.6	-1.9	112.1	L63 S64 N69 M70 E71 M97 M102	L63-R67 PolarHBondContact O-N 3.12Å; S64-R67 WeakPolarHBondContact O-CB 3.31Å; S64-R67 PolarHBondContact O-N 3.5Å; R67-N69 VanDerWaalsContact C-N 3.32Å; R67-N69 PolarHBondContact O-N 2.79Å; R67-M70 PolarHBondContact O-N 3.22Å; R67-E71 WeakPolarHBondContact CG-OE1 3.48Å; R67-E71 WeakPolarHBondContact O-CG 3.49Å; R67-E71 PolarHBondContact O-N 3.25Å; R67-M97 HydrophobicContact CG-CE 3.82Å; R67-M102 HydrophobicContact CB-CE 3.74Å; R67-M102 HydrophobicContact CB-SD 4.03Å; R67-M102 HydrophobicContact CG-CE 4.37Å; R67-M102 PolarHBondContact NH2-SD 2.79Å
68	K	96.5	Very high	95	Very high	130 Å²	130	68.5 Å²	68.5	57%	0.565	35%	0.348	S	S	*	.	H	α-helix	trans	-59.3	-43.6	178.9	-67.5	172.9	-177.2	176.5	0	111.5	S64 K65 S66 M70 E71 V72	S64-K68 WeakPolarHBondContact O-CG 3.46Å; S64-K68 PolarHBondContact O-N 3.09Å; K65-K68 PolarHBondContact O-N 3.02Å; S66-K68 PolarHBondContact O-N 3.32Å; K68-M70 PolarHBondContact O-N 3.41Å; K68-E71 PolarHBondContact O-N 3.13Å; K68-V72 WeakPolarHBondContact O-CG2 3.49Å; K68-V72 PolarHBondContact O-N 2.74Å
69	N	95.4	Very high	94.7	Very high	91 Å²	91	70.6 Å²	70.6	49%	0.487	35%	0.347	S	S	.	.	H	α-helix	trans	-63.7	-40.5	178.1	-71	-19.4	0	0	0	112.3	K65 S66 R67 V72 S73	K65-N69 VanDerWaalsContact O-CG 3.3Å; K65-N69 PolarHBondContact O-N 2.75Å; K65-N69 PolarHBondContact O-ND2 3.39Å; S66-N69 PolarHBondContact O-N 3.18Å; R67-N69 VanDerWaalsContact C-N 3.32Å; R67-N69 PolarHBondContact O-N 2.79Å; N69-V72 PolarHBondContact O-N 3.07Å; N69-S73 VanDerWaalsContact O-CB 3.31Å; N69-S73 WeakPolarHBondContact O-CB 3.25Å; N69-S73 PolarHBondContact O-N 3.13Å
70	M	95.7	Very high	94.3	Very high	0 Å²	0	76.4 Å²	76.4	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-66.3	-42.4	175.7	-70	-165.5	-75.2	0	0	111.9	S44 A47 Q48 L55 S66 R67 K68 V72 S73 L74 M97 I100 M102	S44-M70 VanDerWaalsContact O-SD 3.33Å; A47-M70 HydrophobicContact CB-SD 4.21Å; Q48-M70 HydrophobicContact CG-CB 4.36Å; Q48-M70 HydrophobicContact CG-CG 4.16Å; Q48-M70 HydrophobicContact CG-SD 4.01Å; L55-M70 HydrophobicContact CD2-CE 3.74Å; L55-M70 HydrophobicContact CD2-SD 4.41Å; S66-M70 WeakPolarHBondContact O-CG 3.39Å; S66-M70 PolarHBondContact O-N 3.03Å; R67-M70 PolarHBondContact O-N 3.22Å; K68-M70 PolarHBondContact O-N 3.41Å; M70-V72 VanDerWaalsContact C-N 3.31Å; M70-V72 PolarHBondContact O-N 3.49Å; M70-S73 PolarHBondContact O-N 2.78Å; M70-L74 VanDerWaalsContact O-CB 3.28Å; M70-L74 WeakPolarHBondContact O-CB 3.32Å; M70-L74 VanDerWaalsContact O-CG 3.27Å; M70-L74 WeakPolarHBondContact O-CG 3.42Å; M70-L74 PolarHBondContact O-N 3.42Å; M70-M97 HydrophobicContact CB-SD 4.07Å; M70-M97 HydrophobicContact CE-CE 4.36Å; M70-I100 HydrophobicContact CE-CD1 4.31Å; M70-I100 HydrophobicContact CE-CG2 4.42Å; M70-I100 HydrophobicContact SD-CD1 3.96Å; M70-M102 HydrophobicContact CE-CE 3.05Å
71	E	94.4	Very high	93.7	Very high	86 Å²	86	76.9 Å²	76.9	40%	0.402	36%	0.364	S	S	.	.	H	α-helix	trans	-60.1	-41.7	176	-73.3	168.6	-179.5	0	0	111.7	R67 K68 G75 M97	R67-E71 WeakPolarHBondContact CG-OE1 3.48Å; R67-E71 WeakPolarHBondContact O-CG 3.49Å; R67-E71 PolarHBondContact O-N 3.25Å; K68-E71 PolarHBondContact O-N 3.13Å; E71-G75 PolarHBondContact O-N 3.22Å; E71-M97 HydrophobicContact CG-CE 4.3Å; E71-M97 HydrophobicContact CG-CG 4.43Å; E71-M97 HydrophobicContact CG-SD 4.43Å
72	V	93.5	Very high	93.4	Very high	75 Å²	75	71.6 Å²	71.6	46%	0.455	34%	0.339	S	S	.	.	H	α-helix	trans	-65.7	-45.6	174.3	172.2	0	0	0	0	111.5	K68 N69 M70 G75 R76	K68-V72 WeakPolarHBondContact O-CG2 3.49Å; K68-V72 PolarHBondContact O-N 2.74Å; N69-V72 PolarHBondContact O-N 3.07Å; M70-V72 VanDerWaalsContact C-N 3.31Å; M70-V72 PolarHBondContact O-N 3.49Å; V72-G75 PolarHBondContact O-N 3.41Å; V72-R76 WeakPolarHBondContact O-CG 3.27Å; V72-R76 PolarHBondContact O-N 3.42Å
73	S	91.6	Very high	92.9	Very high	31 Å²	31	72.8 Å²	72.8	22%	0.217	36%	0.358	C	S	.	.	H	α-helix	trans	-59.5	-51.8	177.8	173.9	0	0	0	0	111.5	Q48 N69 M70 G75 R76 V77	Q48-S73 PolarHBondContact OE1-OG 3.36Å; N69-S73 VanDerWaalsContact O-CB 3.31Å; N69-S73 WeakPolarHBondContact O-CB 3.25Å; N69-S73 PolarHBondContact O-N 3.13Å; M70-S73 PolarHBondContact O-N 2.78Å; S73-G75 VanDerWaalsContact C-N 3.31Å; S73-G75 PolarHBondContact O-N 3.15Å; S73-R76 WeakPolarHBondContact O-CB 3.48Å; S73-R76 PolarHBondContact O-N 3.38Å; S73-R76 VanDerWaalsContact O-N 3.13Å; S73-V77 WeakPolarHBondContact O-CG2 3.43Å; S73-V77 PolarHBondContact O-N 2.88Å
74	L	91.8	Very high	92.5	Very high	1 Å²	1	78.4 Å²	78.4	1%	0.005	40%	0.398	C	S	.	.	H	α-helix	trans	-62	-38.9	177.1	-71.5	173.1	0	0	0	111.5	Q48 M70 R76 V77 A78 T93 I96 M97	Q48-L74 HydrophobicContact CB-CD2 4.17Å; Q48-L74 HydrophobicContact CG-CD1 4.27Å; Q48-L74 HydrophobicContact CG-CD2 3.99Å; Q48-L74 HydrophobicContact CG-CG 4.05Å; M70-L74 VanDerWaalsContact O-CB 3.28Å; M70-L74 WeakPolarHBondContact O-CB 3.32Å; M70-L74 VanDerWaalsContact O-CG 3.27Å; M70-L74 WeakPolarHBondContact O-CG 3.42Å; M70-L74 PolarHBondContact O-N 3.42Å; L74-R76 VanDerWaalsContact C-N 3.31Å; L74-R76 PolarHBondContact O-N 2.87Å; L74-V77 PolarHBondContact O-N 2.77Å; L74-A78 VanDerWaalsContact O-CB 3.25Å; L74-A78 WeakPolarHBondContact O-CB 3.27Å; L74-A78 PolarHBondContact O-N 2.82Å; L74-T93 HydrophobicContact CB-CG2 3.74Å; L74-T93 HydrophobicContact CD1-CG2 4.1Å; L74-I96 HydrophobicContact CD1-CB 4.09Å; L74-I96 HydrophobicContact CD1-CG2 3.76Å; L74-I96 HydrophobicContact CD2-CB 4.44Å; L74-I96 HydrophobicContact CD2-CD1 3.71Å; L74-I96 HydrophobicContact CD2-CG2 4.08Å; L74-M97 HydrophobicContact CD1-CG 3.92Å; L74-M97 HydrophobicContact CD1-SD 3.74Å
75	G	91.1	Very high	92.2	Very high	24 Å²	24	79.1 Å²	79.1	25%	0.247	40%	0.398	C	S	.	.	H	α-helix	trans	-59.7	-38.9	173.8	0	0	0	0	0	113	E71 V72 S73 K79	E71-G75 PolarHBondContact O-N 3.22Å; V72-G75 PolarHBondContact O-N 3.41Å; S73-G75 VanDerWaalsContact C-N 3.31Å; S73-G75 PolarHBondContact O-N 3.15Å; G75-K79 WeakPolarHBondContact O-CB 3.28Å; G75-K79 VanDerWaalsContact O-CG 3.27Å; G75-K79 WeakPolarHBondContact O-CG 3.44Å; G75-K79 PolarHBondContact O-N 2.97Å
76	R	90.4	Very high	91.8	Very high	180 Å²	180	79.9 Å²	79.9	68%	0.679	40%	0.401	S	S	*	.	H	α-helix	trans	-66.9	-42.9	174	-67.7	172.5	-175.1	146	0.2	111.7	V72 S73 L74 K80	V72-R76 WeakPolarHBondContact O-CG 3.27Å; V72-R76 PolarHBondContact O-N 3.42Å; S73-R76 WeakPolarHBondContact O-CB 3.48Å; S73-R76 PolarHBondContact O-N 3.38Å; S73-R76 VanDerWaalsContact O-N 3.13Å; L74-R76 VanDerWaalsContact C-N 3.31Å; L74-R76 PolarHBondContact O-N 2.87Å; R76-K80 PolarHBondContact O-N 2.9Å
77	V	88	Confident	91.6	Very high	13 Å²	13	87.2 Å²	87.2	8%	0.079	44%	0.435	C	S	.	.	H	α-helix	trans	-64	-43.6	176.6	175.2	0	0	0	0	110.9	S73 L74 K80 K81 Y92 P176 M177	S73-V77 WeakPolarHBondContact O-CG2 3.43Å; S73-V77 PolarHBondContact O-N 2.88Å; L74-V77 PolarHBondContact O-N 2.77Å; V77-K80 PolarHBondContact O-N 3.46Å; V77-K81 HydrophobicContact CG1-CD 3.87Å; V77-K81 HydrophobicContact CG1-CG 4.32Å; V77-K81 PolarHBondContact O-N 3.05Å; V77-Y92 HydrophobicContact CG1-CE1 4.15Å; V77-P176 HydrophobicContact CG2-CB 4.46Å; V77-M177 HydrophobicContact CG2-SD 4.27Å
78	A	89.9	Confident	91.3	Very high	6 Å²	6	86.1 Å²	86.1	5%	0.05	43%	0.434	C	S	.	.	H	α-helix	trans	-62.6	-46.1	179.6	0	0	0	0	0	111.3	L74 K80 K81 F82 G89 Y92	L74-A78 VanDerWaalsContact O-CB 3.25Å; L74-A78 WeakPolarHBondContact O-CB 3.27Å; L74-A78 PolarHBondContact O-N 2.82Å; A78-K80 PolarHBondContact O-N 3.32Å; A78-K81 PolarHBondContact O-N 2.89Å; A78-F82 HydrophobicContact CB-CD2 4.4Å; A78-F82 WeakPolarHBondContact O-CA 3.37Å; A78-F82 WeakPolarHBondContact O-CB 3.43Å; A78-F82 PolarHBondContact O-N 3.48Å; A78-G89 WeakPolarHBondContact CB-O 3.38Å; A78-Y92 HydrophobicContact CB-CD1 4.25Å
79	K	90.1	Very high	91.1	Very high	166 Å²	166	80.2 Å²	80.2	72%	0.722	41%	0.41	S	S	*	.	H	α-helix	trans	-57.8	-34.9	174.5	-75	174.7	-177.5	-176.3	0	113	G75 A83	G75-K79 WeakPolarHBondContact O-CB 3.28Å; G75-K79 VanDerWaalsContact O-CG 3.27Å; G75-K79 WeakPolarHBondContact O-CG 3.44Å; G75-K79 PolarHBondContact O-N 2.97Å; K79-A83 WeakPolarHBondContact O-CA 3.21Å; K79-A83 WeakPolarHBondContact O-CB 3.36Å; K79-A83 PolarHBondContact O-N 2.87Å
80	K	88.4	Confident	91	Very high	160 Å²	160	80.1 Å²	80.1	70%	0.696	41%	0.406	S	S	*	.	H	α-helix	trans	-77.6	-36.3	178.5	-171.2	172.1	-178.6	174	0	112.8	R76 V77 A78	R76-K80 PolarHBondContact O-N 2.9Å; V77-K80 PolarHBondContact O-N 3.46Å; A78-K80 PolarHBondContact O-N 3.32Å
81	K	86.5	Confident	90.9	Very high	125 Å²	125	84.8 Å²	84.8	54%	0.543	43%	0.427	S	S	.	.	H	α-helix	trans	-86	-33	-177.3	-72.7	-175.3	179.3	176.6	0	113.8	V77 A78 Y92	V77-K81 HydrophobicContact CG1-CD 3.87Å; V77-K81 HydrophobicContact CG1-CG 4.32Å; V77-K81 PolarHBondContact O-N 3.05Å; A78-K81 PolarHBondContact O-N 2.89Å; K81-Y92 PolarHBondContact NZ-OH 3.36Å
82	F	90.9	Very high	90.8	Very high	52 Å²	52	83.1 Å²	83.1	23%	0.228	42%	0.417	C	S	.	.			trans	-124	42.8	-173.2	-51.4	-81.1	0	0	0	110.6	A78 S84 D85 E88 Y92	A78-F82 HydrophobicContact CB-CD2 4.4Å; A78-F82 WeakPolarHBondContact O-CA 3.37Å; A78-F82 WeakPolarHBondContact O-CB 3.43Å; A78-F82 PolarHBondContact O-N 3.48Å; F82-S84 PolarHBondContact O-N 3.05Å; F82-S84 VanDerWaalsContact O-N 3.12Å; F82-D85 WeakPolarHBondContact CB-O 3.14Å; F82-D85 CarbonylContact O-C 3.52Å; F82-D85 PolarHBondContact O-N 3.18Å; F82-E88 HydrophobicContact CD1-CB 4.19Å; F82-E88 HydrophobicContact CD1-CG 3.76Å; F82-E88 HydrophobicContact CE1-CG 3.77Å; F82-Y92 HydrophobicContact CD2-CG 4.46Å; F82-Y92 AromaticContact CE2-CD1 3.77Å; F82-Y92 HydrophobicContact CE2-CD1 3.77Å; F82-Y92 AromaticContact CE2-CD2 3.88Å; F82-Y92 HydrophobicContact CE2-CD2 3.88Å; F82-Y92 HydrophobicContact CE2-CE1 4.36Å; F82-Y92 HydrophobicContact CE2-CE2 4.48Å; F82-Y92 AromaticContact CE2-CG 3.48Å; F82-Y92 HydrophobicContact CE2-CG 3.48Å; F82-Y92 VanDerWaalsContact CE2-CG 3.48Å; F82-Y92 AromaticContact CZ-CD2 3.99Å; F82-Y92 HydrophobicContact CZ-CD2 3.99Å; F82-Y92 AromaticContact CZ-CG 3.99Å; F82-Y92 HydrophobicContact CZ-CG 3.99Å
83	A	86.8	Confident	90.7	Very high	90 Å²	90	80.6 Å²	80.6	74%	0.744	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-32	-175.3	0	0	0	0	0	113.3	K79	K79-A83 WeakPolarHBondContact O-CA 3.21Å; K79-A83 WeakPolarHBondContact O-CB 3.36Å; K79-A83 PolarHBondContact O-N 2.87Å
84	S	90.3	Very high	90.8	Very high	125 Å²	125	85.2 Å²	85.2	87%	0.874	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-9.4	178.5	54.6	0	0	0	0	114.5	F82	F82-S84 PolarHBondContact O-N 3.05Å; F82-S84 VanDerWaalsContact O-N 3.12Å
85	D	91.5	Very high	90.9	Very high	71 Å²	71	88.4 Å²	88.4	38%	0.38	43%	0.433	S	S	.	.			trans	-139.8	89.3	-174.5	-168.8	-21.1	0	0	0	111	F82 Q87 E88 G89	F82-D85 WeakPolarHBondContact CB-O 3.14Å; F82-D85 CarbonylContact O-C 3.52Å; F82-D85 PolarHBondContact O-N 3.18Å; D85-Q87 VanDerWaalsContact C-N 3.27Å; D85-Q87 PolarHBondContact O-N 3.05Å; D85-Q87 PolarHBondContact OD1-N 3.42Å; D85-Q87 VanDerWaalsContact OD1-N 3.09Å; D85-E88 HydrophobicContact CB-CB 4.06Å; D85-E88 VanDerWaalsContact CG-CB 3.45Å; D85-E88 PolarHBondContact O-N 2.7Å; D85-E88 PolarHBondContact OD1-N 2.83Å; D85-E88 WeakPolarHBondContact OD2-CB 3.46Å; D85-G89 PolarHBondContact O-N 2.84Å
86	K	90.2	Very high	91.1	Very high	161 Å²	161	87.6 Å²	87.6	70%	0.7	42%	0.423	S	S	*	.	H	α-helix	trans	-62.7	-35.1	179.4	-174	-179.1	173.1	-168.5	0	112.1	G89 E90	K86-G89 PolarHBondContact O-N 2.56Å; K86-E90 WeakPolarHBondContact CE-OE1 3.23Å; K86-E90 IonicContact NZ-OE1 3.98Å; K86-E90 WeakPolarHBondContact O-CG 3.15Å; K86-E90 PolarHBondContact O-N 2.8Å
87	Q	92.7	Very high	91.3	Very high	156 Å²	156	79.8 Å²	79.8	73%	0.729	39%	0.394	S	S	*	.	H	α-helix	trans	-69.5	-43.9	-177.5	-67.8	-176.4	4.9	0	0	110.7	D85 G89 E90 K91	D85-Q87 VanDerWaalsContact C-N 3.27Å; D85-Q87 PolarHBondContact O-N 3.05Å; D85-Q87 PolarHBondContact OD1-N 3.42Å; D85-Q87 VanDerWaalsContact OD1-N 3.09Å; Q87-G89 VanDerWaalsContact C-N 3.3Å; Q87-G89 PolarHBondContact O-N 2.82Å; Q87-E90 PolarHBondContact O-N 3.36Å; Q87-K91 WeakPolarHBondContact O-CB 3.29Å; Q87-K91 PolarHBondContact O-N 3.43Å
88	E	92.7	Very high	91.7	Very high	65 Å²	65	86.5 Å²	86.5	30%	0.304	43%	0.425	S	S	.	.	H	α-helix	trans	-65.3	-36.1	174.8	-169.6	60.5	-156.4	0	0	111.3	F82 D85 K91 Y92	F82-E88 HydrophobicContact CD1-CB 4.19Å; F82-E88 HydrophobicContact CD1-CG 3.76Å; F82-E88 HydrophobicContact CE1-CG 3.77Å; D85-E88 HydrophobicContact CB-CB 4.06Å; D85-E88 VanDerWaalsContact CG-CB 3.45Å; D85-E88 PolarHBondContact O-N 2.7Å; D85-E88 PolarHBondContact OD1-N 2.83Å; D85-E88 WeakPolarHBondContact OD2-CB 3.46Å; E88-K91 PolarHBondContact O-N 2.81Å; E88-K91 IonicContact OE1-NZ 3.67Å; E88-K91 IonicContact OE2-NZ 3.33Å; E88-K91 PolarHBondContact OE2-NZ 2.9Å; E88-Y92 VanDerWaalsContact O-CB 3.3Å; E88-Y92 WeakPolarHBondContact O-CB 3.4Å; E88-Y92 PolarHBondContact O-N 3.44Å
89	G	92.5	Very high	91.9	Very high	6 Å²	6	90.7 Å²	90.7	6%	0.062	44%	0.439	C	S	.	.	H	α-helix	trans	-62.1	-42.1	172.8	0	0	0	0	0	114.3	A78 D85 K86 Q87 T93	A78-G89 WeakPolarHBondContact CB-O 3.38Å; D85-G89 PolarHBondContact O-N 2.84Å; K86-G89 PolarHBondContact O-N 2.56Å; Q87-G89 VanDerWaalsContact C-N 3.3Å; Q87-G89 PolarHBondContact O-N 2.82Å; G89-T93 PolarHBondContact O-N 2.98Å; G89-T93 PolarHBondContact O-OG1 2.66Å
90	E	92.5	Very high	92.3	Very high	89 Å²	89	83.1 Å²	83.1	42%	0.416	41%	0.406	S	S	.	.	H	α-helix	trans	-67.1	-43	175	-75	177.8	-168.4	0	0	111.7	K86 Q87 T93 K94	K86-E90 WeakPolarHBondContact CE-OE1 3.23Å; K86-E90 IonicContact NZ-OE1 3.98Å; K86-E90 WeakPolarHBondContact O-CG 3.15Å; K86-E90 PolarHBondContact O-N 2.8Å; Q87-E90 PolarHBondContact O-N 3.36Å; E90-T93 PolarHBondContact O-N 2.93Å; E90-K94 WeakPolarHBondContact O-CG 3.49Å; E90-K94 PolarHBondContact O-N 2.85Å
91	K	93.7	Very high	92.7	Very high	99 Å²	99	79.6 Å²	79.6	43%	0.43	40%	0.399	S	S	.	.	H	α-helix	trans	-60.1	-46.6	175	180	-178.4	161	-152.4	0	111.4	Q87 E88 T93 K94 E95	Q87-K91 WeakPolarHBondContact O-CB 3.29Å; Q87-K91 PolarHBondContact O-N 3.43Å; E88-K91 PolarHBondContact O-N 2.81Å; E88-K91 IonicContact OE1-NZ 3.67Å; E88-K91 IonicContact OE2-NZ 3.33Å; E88-K91 PolarHBondContact OE2-NZ 2.9Å; K91-T93 VanDerWaalsContact C-N 3.3Å; K91-T93 PolarHBondContact O-N 3.25Å; K91-K94 PolarHBondContact O-N 3Å; K91-E95 WeakPolarHBondContact CE-OE1 3.37Å; K91-E95 HydrophobicContact CG-CG 4.39Å; K91-E95 WeakPolarHBondContact O-CB 3.42Å; K91-E95 WeakPolarHBondContact O-CG 3.43Å; K91-E95 PolarHBondContact O-N 3.06Å
92	Y	91.5	Very high	93.2	Very high	50 Å²	50	75.5 Å²	75.5	20%	0.196	38%	0.382	C	S	.	.	H	α-helix	trans	-54.4	-45	175.3	171	-102.2	0	0	0	112.4	V77 A78 K81 F82 E88 I96	V77-Y92 HydrophobicContact CG1-CE1 4.15Å; A78-Y92 HydrophobicContact CB-CD1 4.25Å; K81-Y92 PolarHBondContact NZ-OH 3.36Å; F82-Y92 HydrophobicContact CD2-CG 4.46Å; F82-Y92 AromaticContact CE2-CD1 3.77Å; F82-Y92 HydrophobicContact CE2-CD1 3.77Å; F82-Y92 AromaticContact CE2-CD2 3.88Å; F82-Y92 HydrophobicContact CE2-CD2 3.88Å; F82-Y92 HydrophobicContact CE2-CE1 4.36Å; F82-Y92 HydrophobicContact CE2-CE2 4.48Å; F82-Y92 AromaticContact CE2-CG 3.48Å; F82-Y92 HydrophobicContact CE2-CG 3.48Å; F82-Y92 VanDerWaalsContact CE2-CG 3.48Å; F82-Y92 AromaticContact CZ-CD2 3.99Å; F82-Y92 HydrophobicContact CZ-CD2 3.99Å; F82-Y92 AromaticContact CZ-CG 3.99Å; F82-Y92 HydrophobicContact CZ-CG 3.99Å; E88-Y92 VanDerWaalsContact O-CB 3.3Å; E88-Y92 WeakPolarHBondContact O-CB 3.4Å; E88-Y92 PolarHBondContact O-N 3.44Å; Y92-I96 HydrophobicContact CD1-CD1 4.2Å; Y92-I96 HydrophobicContact CD2-CD1 4.19Å; Y92-I96 HydrophobicContact CE1-CD1 3.63Å; Y92-I96 HydrophobicContact CE2-CD1 3.6Å; Y92-I96 HydrophobicContact CE2-CG1 4.5Å; Y92-I96 HydrophobicContact CG-CD1 4.46Å; Y92-I96 WeakPolarHBondContact O-CG1 3.16Å; Y92-I96 PolarHBondContact O-N 3.12Å; Y92-I96 WeakPolarHBondContact OH-CD1 3.32Å
93	T	92.3	Very high	93.6	Very high	22 Å²	22	74.7 Å²	74.7	14%	0.135	38%	0.381	C	S	.	.	H	α-helix	trans	-66.6	-45.4	178.5	-62.8	0	0	0	0	111.3	L74 G89 E90 K91 E95 I96 M97	L74-T93 HydrophobicContact CB-CG2 3.74Å; L74-T93 HydrophobicContact CD1-CG2 4.1Å; G89-T93 PolarHBondContact O-N 2.98Å; G89-T93 PolarHBondContact O-OG1 2.66Å; E90-T93 PolarHBondContact O-N 2.93Å; K91-T93 VanDerWaalsContact C-N 3.3Å; K91-T93 PolarHBondContact O-N 3.25Å; T93-E95 PolarHBondContact O-N 3.07Å; T93-I96 PolarHBondContact O-N 3.32Å; T93-M97 WeakPolarHBondContact O-CG 3.28Å; T93-M97 PolarHBondContact O-N 3.24Å
94	K	93.9	Very high	94.1	Very high	129 Å²	129	73.5 Å²	73.5	56%	0.561	37%	0.365	S	S	*	.	H	α-helix	trans	-59.8	-45.5	177.2	-73.9	173.3	-177.9	171.5	0	111.8	E90 K91 I96 M97 Q98	E90-K94 WeakPolarHBondContact O-CG 3.49Å; E90-K94 PolarHBondContact O-N 2.85Å; K91-K94 PolarHBondContact O-N 3Å; K94-I96 VanDerWaalsContact C-N 3.34Å; K94-I96 PolarHBondContact O-N 3.01Å; K94-M97 PolarHBondContact O-N 3.18Å; K94-Q98 WeakPolarHBondContact O-CB 3.23Å; K94-Q98 VanDerWaalsContact O-CG 3.28Å; K94-Q98 WeakPolarHBondContact O-CG 3.2Å; K94-Q98 PolarHBondContact O-N 3.24Å
95	E	94.3	Very high	94.5	Very high	68 Å²	68	69.2 Å²	69.2	32%	0.318	34%	0.335	S	S	.	.	H	α-helix	trans	-62.9	-38.4	179.8	-75.2	-177.7	-172.5	0	0	112.8	K91 T93 R99	K91-E95 WeakPolarHBondContact CE-OE1 3.37Å; K91-E95 HydrophobicContact CG-CG 4.39Å; K91-E95 WeakPolarHBondContact O-CB 3.42Å; K91-E95 WeakPolarHBondContact O-CG 3.43Å; K91-E95 PolarHBondContact O-N 3.06Å; T93-E95 PolarHBondContact O-N 3.07Å; E95-R99 WeakPolarHBondContact O-CG 3.48Å; E95-R99 PolarHBondContact O-N 3.11Å; E95-R99 PolarHBondContact O-NE 2.87Å; E95-R99 IonicContact OE2-NH2 2.99Å
96	I	93.8	Very high	94.8	Very high	6 Å²	6	67.4 Å²	67.4	3%	0.031	33%	0.325	C	S	.	.	H	α-helix	trans	-67.3	-47	174.8	-70	171.6	0	0	0	110.1	L74 Y92 T93 K94 Q98 R99 I100	L74-I96 HydrophobicContact CD1-CB 4.09Å; L74-I96 HydrophobicContact CD1-CG2 3.76Å; L74-I96 HydrophobicContact CD2-CB 4.44Å; L74-I96 HydrophobicContact CD2-CD1 3.71Å; L74-I96 HydrophobicContact CD2-CG2 4.08Å; Y92-I96 HydrophobicContact CD1-CD1 4.2Å; Y92-I96 HydrophobicContact CD2-CD1 4.19Å; Y92-I96 HydrophobicContact CE1-CD1 3.63Å; Y92-I96 HydrophobicContact CE2-CD1 3.6Å; Y92-I96 HydrophobicContact CE2-CG1 4.5Å; Y92-I96 HydrophobicContact CG-CD1 4.46Å; Y92-I96 WeakPolarHBondContact O-CG1 3.16Å; Y92-I96 PolarHBondContact O-N 3.12Å; Y92-I96 WeakPolarHBondContact OH-CD1 3.32Å; T93-I96 PolarHBondContact O-N 3.32Å; K94-I96 VanDerWaalsContact C-N 3.34Å; K94-I96 PolarHBondContact O-N 3.01Å; I96-Q98 VanDerWaalsContact C-N 3.26Å; I96-Q98 PolarHBondContact O-N 2.65Å; I96-R99 WeakPolarHBondContact O-CB 3.45Å; I96-R99 PolarHBondContact O-N 2.82Å; I96-I100 HydrophobicContact CG2-CD1 4.21Å
97	M	95.3	Very high	95.1	Very high	16 Å²	16	61.3 Å²	61.3	8%	0.079	31%	0.305	C	S	.	.	H	α-helix	trans	-63.3	-31.6	-179.8	-69.5	-56.6	-62	0	0	112.9	R67 M70 E71 L74 T93 K94 R99 I100 M102	R67-M97 HydrophobicContact CG-CE 3.82Å; M70-M97 HydrophobicContact CB-SD 4.07Å; M70-M97 HydrophobicContact CE-CE 4.36Å; E71-M97 HydrophobicContact CG-CE 4.3Å; E71-M97 HydrophobicContact CG-CG 4.43Å; E71-M97 HydrophobicContact CG-SD 4.43Å; L74-M97 HydrophobicContact CD1-CG 3.92Å; L74-M97 HydrophobicContact CD1-SD 3.74Å; T93-M97 WeakPolarHBondContact O-CG 3.28Å; T93-M97 PolarHBondContact O-N 3.24Å; K94-M97 PolarHBondContact O-N 3.18Å; M97-R99 PolarHBondContact O-N 2.86Å; M97-I100 PolarHBondContact O-N 3.48Å; M97-I100 HydrophobicContact SD-CD1 4.2Å; M97-M102 HydrophobicContact CE-CE 4.44Å
98	Q	95.7	Very high	95.3	Very high	155 Å²	155	59.8 Å²	59.8	72%	0.724	30%	0.302	S	S	*	.	H	α-helix	trans	-68	-19.9	173.8	-76.8	173.6	-5.6	0	0	113.7	K94 I96 I100	K94-Q98 WeakPolarHBondContact O-CB 3.23Å; K94-Q98 VanDerWaalsContact O-CG 3.28Å; K94-Q98 WeakPolarHBondContact O-CG 3.2Å; K94-Q98 PolarHBondContact O-N 3.24Å; I96-Q98 VanDerWaalsContact C-N 3.26Å; I96-Q98 PolarHBondContact O-N 2.65Å; Q98-I100 VanDerWaalsContact C-N 3.32Å
99	R	95.2	Very high	95.5	Very high	93 Å²	93	57.3 Å²	57.3	35%	0.351	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-6.5	176.2	-66.2	173.4	-159.5	177.3	7.5	112.5	G50 R52 V53 E95 I96 M97	G50-R99 WeakPolarHBondContact O-CD 3.21Å; G50-R99 PolarHBondContact O-NH1 2.92Å; R52-R99 CarbonylContact C-O 3.35Å; R52-R99 WeakPolarHBondContact CA-O 3.4Å; R52-R99 HydrophobicContact CG-CB 4.18Å; R52-R99 HydrophobicContact CG-CG 4.14Å; V53-R99 PolarHBondContact N-O 3.06Å; E95-R99 WeakPolarHBondContact O-CG 3.48Å; E95-R99 PolarHBondContact O-N 3.11Å; E95-R99 PolarHBondContact O-NE 2.87Å; E95-R99 IonicContact OE2-NH2 2.99Å; I96-R99 WeakPolarHBondContact O-CB 3.45Å; I96-R99 PolarHBondContact O-N 2.82Å; M97-R99 PolarHBondContact O-N 2.86Å
100	I	97.2	Very high	95.8	Very high	7 Å²	7	57 Å²	57	4%	0.036	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	104.3	-177.1	-56.7	169	0	0	0	109	A47 V53 L55 M70 I96 M97 Q98 M102	A47-I100 HydrophobicContact CB-CD1 4.03Å; A47-I100 HydrophobicContact CB-CG1 4.33Å; A47-I100 HydrophobicContact CB-CG2 4.45Å; V53-I100 HydrophobicContact CG2-CB 4.31Å; V53-I100 HydrophobicContact CG2-CG1 3.93Å; V53-I100 HydrophobicContact CG2-CG2 4.18Å; L55-I100 HydrophobicContact CB-CG2 3.95Å; L55-I100 HydrophobicContact CD2-CG2 4.34Å; M70-I100 HydrophobicContact CE-CD1 4.31Å; M70-I100 HydrophobicContact CE-CG2 4.42Å; M70-I100 HydrophobicContact SD-CD1 3.96Å; I96-I100 HydrophobicContact CG2-CD1 4.21Å; M97-I100 PolarHBondContact O-N 3.48Å; M97-I100 HydrophobicContact SD-CD1 4.2Å; Q98-I100 VanDerWaalsContact C-N 3.32Å; I100-M102 HydrophobicContact CG2-CE 4.28Å; I100-M102 HydrophobicContact CG2-CG 4.33Å
101	T	97.5	Very high	95.9	Very high	87 Å²	87	59.6 Å²	59.6	53%	0.534	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	126.3	168.6	-60.3	0	0	0	0	108.5	V53 S54 L55	V53-T101 PolarHBondContact O-N 3.27Å; S54-T101 CarbonylContact C-O 3.58Å; S54-T101 VanDerWaalsContact CA-O 3.32Å; S54-T101 WeakPolarHBondContact CA-O 3.38Å; L55-T101 PolarHBondContact N-O 2.82Å
102	M	98.1	Very high	96	Very high	38 Å²	38	60 Å²	60	19%	0.187	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	138.5	176.5	-70.6	171.7	177.3	0	0	110.1	L55 L63 R67 M70 M97 I100	L55-M102 HydrophobicContact CB-CG 4.4Å; L55-M102 HydrophobicContact CD2-CE 4.14Å; L55-M102 WeakPolarHBondContact O-CA 3.38Å; L63-M102 HydrophobicContact CB-SD 4.41Å; L63-M102 HydrophobicContact CD1-CB 4.36Å; L63-M102 HydrophobicContact CD2-CB 4.21Å; L63-M102 HydrophobicContact CD2-CG 4.28Å; R67-M102 HydrophobicContact CB-CE 3.74Å; R67-M102 HydrophobicContact CB-SD 4.03Å; R67-M102 HydrophobicContact CG-CE 4.37Å; R67-M102 PolarHBondContact NH2-SD 2.79Å; M70-M102 HydrophobicContact CE-CE 3.05Å; M97-M102 HydrophobicContact CE-CE 4.44Å; I100-M102 HydrophobicContact CG2-CE 4.28Å; I100-M102 HydrophobicContact CG2-CG 4.33Å
103	T	98.2	Very high	96.2	Very high	35 Å²	35	57.7 Å²	57.7	22%	0.215	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	150.3	179.7	-179.1	0	0	0	0	111.2	L55 V56 D57 S105 A109	L55-T103 PolarHBondContact O-N 2.89Å; V56-T103 VanDerWaalsContact CA-O 3.29Å; V56-T103 WeakPolarHBondContact CA-O 3.23Å; V56-T103 HydrophobicContact CG2-CG2 3.95Å; D57-T103 PolarHBondContact N-O 3.01Å; T103-S105 PolarHBondContact OG1-N 3.4Å; T103-S105 VanDerWaalsContact OG1-N 3.09Å; T103-A109 HydrophobicContact CG2-CB 3.93Å
104	T	98.2	Very high	96.5	Very high	66 Å²	66	58.8 Å²	58.8	41%	0.405	30%	0.302	S	S	.	.	S	Bend	trans	-90.7	-9.6	170.4	53.6	0	0	0	0	112.9	D57 D60 L63 L106	D57-T104 VanDerWaalsContact O-CA 3.31Å; D57-T104 WeakPolarHBondContact O-CA 3.37Å; D60-T104 WeakPolarHBondContact OD1-CG2 3.32Å; L63-T104 HydrophobicContact CD1-CG2 3.8Å; T104-L106 PolarHBondContact O-N 3.24Å
105	S	97.7	Very high	96.7	Very high	35 Å²	35	52.6 Å²	52.6	25%	0.245	28%	0.276	C	S	.	.			trans	-91.9	101.8	-179	-178.9	0	0	0	0	111.5	T103 N108 A109	T103-S105 PolarHBondContact OG1-N 3.4Å; T103-S105 VanDerWaalsContact OG1-N 3.09Å; S105-N108 WeakPolarHBondContact OG-CB 3.45Å; S105-N108 VanDerWaalsContact OG-CG 3.24Å; S105-N108 PolarHBondContact OG-N 3.15Å; S105-N108 PolarHBondContact OG-ND2 3.02Å; S105-A109 WeakPolarHBondContact O-CB 3.47Å; S105-A109 PolarHBondContact O-N 3.28Å; S105-A109 VanDerWaalsContact O-N 3.15Å
106	L	97.7	Very high	96.9	Very high	32 Å²	32	49.4 Å²	49.4	17%	0.168	26%	0.26	C	S	.	.	H	α-helix	trans	-60.6	-45.7	173.4	-179.2	60.6	0	0	0	111.9	I37 V56 T104 N108 A109 A110 L130 T133 L134	I37-L106 HydrophobicContact CD1-CD1 4.47Å; I37-L106 HydrophobicContact CG1-CD1 3.65Å; V56-L106 HydrophobicContact CG1-CB 4.21Å; V56-L106 HydrophobicContact CG1-CD1 4.26Å; T104-L106 PolarHBondContact O-N 3.24Å; L106-N108 PolarHBondContact O-N 3.46Å; L106-A109 PolarHBondContact O-N 2.66Å; L106-A110 WeakPolarHBondContact O-CB 3.49Å; L106-A110 PolarHBondContact O-N 3.02Å; L106-L130 HydrophobicContact CD2-CD1 3.62Å; L106-T133 HydrophobicContact CD2-CG2 3.76Å; L106-L134 HydrophobicContact CD1-CD2 3.84Å; L106-L134 HydrophobicContact CD2-CD2 4.44Å; L106-L134 HydrophobicContact CG-CD2 4.44Å
107	A	96.9	Very high	97.1	Very high	34 Å²	34	49.1 Å²	49.1	28%	0.281	26%	0.259	S	S	.	.	H	α-helix	trans	-57.7	-48.7	-179.9	0	0	0	0	0	111.8	A109 A110 K111 E137	A107-A109 VanDerWaalsContact C-N 3.33Å; A107-A109 PolarHBondContact O-N 3.38Å; A107-A110 PolarHBondContact O-N 2.87Å; A107-K111 WeakPolarHBondContact O-CB 3.46Å; A107-K111 PolarHBondContact O-N 2.76Å; A107-E137 HydrophobicContact CB-CG 4.37Å; A107-E137 VanDerWaalsContact CB-OE2 3.26Å; A107-E137 WeakPolarHBondContact CB-OE2 3.43Å
108	N	96.8	Very high	97.3	Very high	124 Å²	124	48.3 Å²	48.3	66%	0.663	26%	0.255	S	S	*	.	H	α-helix	trans	-64.9	-37.3	179.3	-71.7	-17.5	0	0	0	112.4	S105 L106	S105-N108 WeakPolarHBondContact OG-CB 3.45Å; S105-N108 VanDerWaalsContact OG-CG 3.24Å; S105-N108 PolarHBondContact OG-N 3.15Å; S105-N108 PolarHBondContact OG-ND2 3.02Å; L106-N108 PolarHBondContact O-N 3.46Å
109	A	97.2	Very high	97.4	Very high	13 Å²	13	41.5 Å²	41.5	11%	0.107	23%	0.225	C	C	.	.	H	α-helix	trans	-69.4	-44.3	177	0	0	0	0	0	112	V35 V56 T103 S105 L106 A107	V35-A109 HydrophobicContact CG1-CB 3.92Å; V35-A109 HydrophobicContact CG2-CB 4.3Å; V35-A109 WeakPolarHBondContact CG2-O 3.28Å; V56-A109 HydrophobicContact CG2-CB 3.47Å; V56-A109 VanDerWaalsContact CG2-CB 3.47Å; T103-A109 HydrophobicContact CG2-CB 3.93Å; S105-A109 WeakPolarHBondContact O-CB 3.47Å; S105-A109 PolarHBondContact O-N 3.28Å; S105-A109 VanDerWaalsContact O-N 3.15Å; L106-A109 PolarHBondContact O-N 2.66Å; A107-A109 VanDerWaalsContact C-N 3.33Å; A107-A109 PolarHBondContact O-N 3.38Å
110	A	97.4	Very high	97.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-74.9	-26.5	-173.1	0	0	0	0	0	113.7	L106 A107 N112 A113 L134 E137 A138 P139	L106-A110 WeakPolarHBondContact O-CB 3.49Å; L106-A110 PolarHBondContact O-N 3.02Å; A107-A110 PolarHBondContact O-N 2.87Å; A110-N112 PolarHBondContact O-N 2.82Å; A110-A113 VanDerWaalsContact O-CB 3.28Å; A110-A113 WeakPolarHBondContact O-CB 3.4Å; A110-A113 PolarHBondContact O-N 3.47Å; A110-L134 HydrophobicContact CB-CD2 4.41Å; A110-E137 HydrophobicContact CB-CB 4.03Å; A110-A138 HydrophobicContact CB-CB 4.31Å; A110-P139 VanDerWaalsContact O-CD 3.23Å; A110-P139 WeakPolarHBondContact O-CD 2.95Å
111	K	96.5	Very high	97.4	Very high	142 Å²	142	43.7 Å²	43.7	62%	0.617	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-33.3	-173	-176.1	176.7	179.2	179.6	0	115.4	A107 P139	A107-K111 WeakPolarHBondContact O-CB 3.46Å; A107-K111 PolarHBondContact O-N 2.76Å; K111-P139 WeakPolarHBondContact O-CD 3.49Å; K111-P139 VanDerWaalsContact O-CG 3.29Å; K111-P139 WeakPolarHBondContact O-CG 3.39Å
112	N	94.3	Very high	97.2	Very high	109 Å²	109	42.8 Å²	42.8	58%	0.583	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.5	20.9	-179.6	-58.2	-43.2	0	0	0	112.4	N33 A110	N33-N112 WeakPolarHBondContact CB-O 3.31Å; N33-N112 PolarHBondContact ND2-O 2.97Å; A110-N112 PolarHBondContact O-N 2.82Å
113	A	97.1	Very high	97	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.008	25%	0.245	C	C	.	.			trans	-73.8	137.7	-175.6	0	0	0	0	0	111.6	V35 A110 C116 A142	V35-A113 HydrophobicContact CB-CB 4.41Å; V35-A113 HydrophobicContact CG2-CB 3.58Å; A110-A113 VanDerWaalsContact O-CB 3.28Å; A110-A113 WeakPolarHBondContact O-CB 3.4Å; A110-A113 PolarHBondContact O-N 3.47Å; A113-C116 VanDerWaalsContact CB-SG 3.55Å; A113-A142 WeakPolarHBondContact O-CB 3.49Å
114	D	97.1	Very high	96.8	Very high	44 Å²	44	44.8 Å²	44.8	24%	0.235	25%	0.247	C	C	.	.	S	Bend	trans	-93.8	-27.9	166	-54.1	-56.8	0	0	0	110.8	I31 N32 N33 L143	I31-D114 HydrophobicContact CB-CB 4.34Å; I31-D114 HydrophobicContact CG1-CB 4.35Å; I31-D114 HydrophobicContact CG2-CB 4.33Å; N32-D114 WeakPolarHBondContact CA-OD2 3.19Å; N32-D114 PolarHBondContact N-OD2 3.05Å; N33-D114 PolarHBondContact N-OD2 2.97Å; N33-D114 PolarHBondContact O-N 2.84Å; D114-L143 PolarHBondContact O-N 2.67Å
115	L	98.1	Very high	96.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	122.9	179.8	175.7	64.8	0	0	0	110.4	I31 N33 V34 V35 I117 L143 V145 L197 Y200	I31-L115 HydrophobicContact CD1-CB 4.49Å; I31-L115 HydrophobicContact CD1-CD2 4.39Å; I31-L115 HydrophobicContact CG1-CB 4.31Å; I31-L115 HydrophobicContact CG2-CB 3.58Å; I31-L115 HydrophobicContact CG2-CD2 4.02Å; I31-L115 HydrophobicContact CG2-CG 4.46Å; N33-L115 PolarHBondContact O-N 3.5Å; V34-L115 CarbonylContact C-O 3.33Å; V34-L115 WeakPolarHBondContact CA-O 3.38Å; V34-L115 HydrophobicContact CG1-CD2 4.26Å; V34-L115 HydrophobicContact CG1-CG 4.43Å; V34-L115 HydrophobicContact CG2-CB 4.43Å; V34-L115 HydrophobicContact CG2-CD2 4.39Å; V35-L115 PolarHBondContact N-O 3.18Å; L115-I117 HydrophobicContact CD1-CG1 4.35Å; L115-I117 HydrophobicContact CD2-CD1 3.91Å; L115-I117 HydrophobicContact CD2-CG1 3.96Å; L115-I117 HydrophobicContact CG-CD1 4.34Å; L115-I117 HydrophobicContact CG-CG1 3.85Å; L115-L143 HydrophobicContact CD1-CB 3.69Å; L115-V145 HydrophobicContact CD1-CB 4.49Å; L115-V145 HydrophobicContact CD1-CG1 3.93Å; L115-V145 HydrophobicContact CD1-CG2 3.76Å; L115-L197 HydrophobicContact CD1-CD2 3.77Å; L115-Y200 HydrophobicContact CD2-CD1 3.73Å; L115-Y200 HydrophobicContact CD2-CD2 4.1Å; L115-Y200 HydrophobicContact CD2-CE1 3.57Å; L115-Y200 HydrophobicContact CD2-CE2 3.99Å; L115-Y200 HydrophobicContact CD2-CG 3.99Å
116	C	98.6	Very high	96.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	118.6	171	-64.8	0	0	0	0	109.5	V35 I37 A113 L134 L143 L144 V145	V35-C116 CarbonylContact O-C 3.55Å; V35-C116 WeakPolarHBondContact O-CA 3.22Å; I37-C116 HydrophobicContact CD1-CB 4.21Å; A113-C116 VanDerWaalsContact CB-SG 3.55Å; C116-L134 HydrophobicContact CB-CD1 4.23Å; C116-L134 HydrophobicContact CB-CD2 4.04Å; C116-L143 PolarHBondContact N-O 3.25Å; C116-L144 HydrophobicContact CB-CD2 3.85Å; C116-V145 PolarHBondContact O-N 2.93Å
117	I	98.7	Very high	96.8	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	110.6	178.8	-50.1	179	0	0	0	108.8	V34 V35 I36 I37 I46 L115 V145 L169 Y200	V34-I117 HydrophobicContact CG1-CD1 3.82Å; V34-I117 HydrophobicContact CG1-CG1 4.18Å; V35-I117 PolarHBondContact O-N 2.73Å; I36-I117 CarbonylContact C-O 3.53Å; I36-I117 WeakPolarHBondContact CA-O 3.39Å; I36-I117 HydrophobicContact CG1-CB 4.36Å; I36-I117 HydrophobicContact CG1-CD1 4.43Å; I37-I117 PolarHBondContact N-O 3.41Å; I46-I117 HydrophobicContact CD1-CG2 4.14Å; I46-I117 HydrophobicContact CG2-CD1 3.98Å; L115-I117 HydrophobicContact CD1-CG1 4.35Å; L115-I117 HydrophobicContact CD2-CD1 3.91Å; L115-I117 HydrophobicContact CD2-CG1 3.96Å; L115-I117 HydrophobicContact CG-CD1 4.34Å; L115-I117 HydrophobicContact CG-CG1 3.85Å; I117-V145 WeakPolarHBondContact CA-O 3.4Å; I117-V145 HydrophobicContact CB-CG2 4.09Å; I117-V145 HydrophobicContact CG1-CG2 3.75Å; I117-V145 HydrophobicContact CG2-CG2 4.13Å; I117-L169 HydrophobicContact CD1-CD2 4.18Å; I117-Y200 HydrophobicContact CD1-CE1 4.18Å
118	E	98.5	Very high	96.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	125.4	172.3	-179.8	-78.5	121.7	0	0	110.5	I120 K127 L130 F131 V145 T146 N147	E118-I120 HydrophobicContact CG-CG1 4.01Å; E118-I120 WeakPolarHBondContact OE1-CG1 3.21Å; E118-I120 PolarHBondContact OE1-N 3.06Å; E118-K127 HydrophobicContact CG-CG 4.48Å; E118-K127 IonicContact OE1-NZ 3.61Å; E118-K127 PolarHBondContact OE1-NZ 2.78Å; E118-K127 WeakPolarHBondContact OE2-CD 3.4Å; E118-K127 IonicContact OE2-NZ 2.66Å; E118-K127 PolarHBondContact OE2-NZ 3.36Å; E118-L130 HydrophobicContact CB-CD2 4.25Å; E118-L130 HydrophobicContact CG-CD2 3.48Å; E118-L130 VanDerWaalsContact CG-CD2 3.48Å; E118-F131 HydrophobicContact CB-CE1 4.34Å; E118-F131 HydrophobicContact CB-CE2 3.85Å; E118-F131 HydrophobicContact CB-CZ 3.5Å; E118-F131 HydrophobicContact CG-CE2 3.92Å; E118-F131 HydrophobicContact CG-CZ 4.11Å; E118-V145 PolarHBondContact N-O 2.82Å; E118-T146 WeakPolarHBondContact OE2-CB 3.31Å; E118-T146 PolarHBondContact OE2-OG1 2.82Å; E118-N147 VanDerWaalsContact O-CB 3.3Å; E118-N147 WeakPolarHBondContact O-CB 3.29Å; E118-N147 PolarHBondContact O-N 3.25Å
119	A	98.2	Very high	96.9	Very high	12 Å²	12	43.9 Å²	43.9	10%	0.099	24%	0.236	C	C	.	.			trans	-143.5	41.1	176	0	0	0	0	0	111.6	I37 M42 I46 N147	I37-A119 CarbonylContact O-C 3.56Å; I37-A119 VanDerWaalsContact O-C 3.27Å; I37-A119 WeakPolarHBondContact O-CA 3.48Å; I37-A119 PolarHBondContact O-N 3.29Å; M42-A119 HydrophobicContact CB-CB 4.37Å; I46-A119 HydrophobicContact CD1-CB 4.37Å; A119-N147 HydrophobicContact CB-CB 4.24Å
120	I	97.6	Very high	97	Very high	45 Å²	45	44.2 Å²	44.2	23%	0.231	24%	0.236	C	C	.	.	S	Bend	trans	-82.6	-177	173.6	66.1	157.6	0	0	0	111.2	I37 E118 K127 L130	I37-I120 HydrophobicContact CG2-CG2 3.85Å; I37-I120 PolarHBondContact O-N 3.19Å; E118-I120 HydrophobicContact CG-CG1 4.01Å; E118-I120 WeakPolarHBondContact OE1-CG1 3.21Å; E118-I120 PolarHBondContact OE1-N 3.06Å; I120-K127 HydrophobicContact CD1-CG 4.16Å; I120-K127 HydrophobicContact CG1-CG 4.07Å; I120-K127 PolarHBondContact O-NZ 3.16Å; I120-L130 HydrophobicContact CD1-CB 4.45Å; I120-L130 HydrophobicContact CD1-CD2 3.89Å; I120-L130 HydrophobicContact CG1-CD2 4.06Å; I120-L130 HydrophobicContact CG2-CD2 3.91Å
121	V	94.3	Very high	97	Very high	101 Å²	101	44.2 Å²	44.2	61%	0.612	24%	0.236	S	C	*	.			trans	-50.3	144.8	176.5	-64.5	0	0	0	0	112.5	N123 K127	V121-N123 HydrophobicContact CG2-CB 4.29Å; V121-N123 PolarHBondContact O-N 3.33Å; V121-K127 WeakPolarHBondContact O-CE 3.36Å
122	E	93.1	Very high	97.1	Very high	67 Å²	67	40.7 Å²	40.7	31%	0.313	22%	0.222	S	C	.	.	S	Bend	trans	-78	62	-176.8	-157.7	82.5	149.9	0	0	111.4	K127 T148 S149 S150 L151	E122-K127 WeakPolarHBondContact OE2-CE 3.15Å; E122-K127 IonicContact OE2-NZ 3.67Å; E122-K127 PolarHBondContact OE2-NZ 3.11Å; E122-T148 PolarHBondContact OE1-OG1 3.32Å; E122-S149 PolarHBondContact OE1-N 3.46Å; E122-S149 PolarHBondContact OE1-OG 3.49Å; E122-S149 VanDerWaalsContact OE1-OG 3.09Å; E122-S150 WeakPolarHBondContact CG-OG 3.37Å; E122-S150 PolarHBondContact OE1-N 2.87Å; E122-S150 PolarHBondContact OE1-OG 3.02Å; E122-L151 HydrophobicContact CG-CD1 4.29Å; E122-L151 HydrophobicContact CG-CG 4.38Å
123	N	94.2	Very high	97.3	Very high	69 Å²	69	38.2 Å²	38.2	37%	0.369	21%	0.211	S	C	.	.			trans	-124.9	126.7	178.7	172.8	-90.3	0	0	0	109.8	V121 D125 S126 K127	V121-N123 HydrophobicContact CG2-CB 4.29Å; V121-N123 PolarHBondContact O-N 3.33Å; N123-D125 PolarHBondContact OD1-N 3.43Å; N123-S126 PolarHBondContact O-N 3.14Å; N123-S126 WeakPolarHBondContact OD1-CB 3.48Å; N123-S126 PolarHBondContact OD1-N 3.22Å; N123-S126 PolarHBondContact OD1-OG 2.84Å; N123-K127 WeakPolarHBondContact O-CG 3.33Å; N123-K127 PolarHBondContact O-N 3.47Å; N123-K127 VanDerWaalsContact O-N 3.09Å
124	L	94.8	Very high	97.3	Very high	47 Å²	47	38.2 Å²	38.2	25%	0.246	21%	0.211	C	C	.	.	H	α-helix	trans	-60	-51.6	-173.9	-179.6	62.6	0	0	0	112.1	S126 K127 V128 L151 E155 I156	L124-S126 VanDerWaalsContact C-N 3.31Å; L124-S126 PolarHBondContact O-N 3.36Å; L124-K127 PolarHBondContact O-N 3.3Å; L124-K127 VanDerWaalsContact O-N 3.14Å; L124-V128 HydrophobicContact CD1-CG2 3.96Å; L124-V128 HydrophobicContact CG-CG2 4.21Å; L124-V128 WeakPolarHBondContact O-CG2 3.38Å; L124-V128 PolarHBondContact O-N 3Å; L124-L151 HydrophobicContact CB-CD1 4.39Å; L124-L151 HydrophobicContact CB-CD2 4.43Å; L124-E155 HydrophobicContact CD1-CB 3.89Å; L124-E155 HydrophobicContact CD2-CB 4.24Å; L124-E155 WeakPolarHBondContact CD2-OE2 3.47Å; L124-I156 HydrophobicContact CD1-CG1 3.85Å
125	D	97.4	Very high	97.4	Very high	106 Å²	106	37.6 Å²	37.6	57%	0.567	21%	0.206	S	C	*	.	H	α-helix	trans	-60.3	-43	-177.4	-61.1	-36.2	0	0	0	111.7	N123 K127 V128 N129	N123-D125 PolarHBondContact OD1-N 3.43Å; D125-K127 VanDerWaalsContact C-N 3.33Å; D125-K127 PolarHBondContact O-N 3.11Å; D125-V128 PolarHBondContact O-N 3.45Å; D125-N129 WeakPolarHBondContact O-CB 3.46Å; D125-N129 PolarHBondContact O-N 2.97Å; D125-N129 PolarHBondContact O-ND2 3.49Å; D125-N129 VanDerWaalsContact O-ND2 3.13Å
126	S	97.4	Very high	97.3	Very high	45 Å²	45	45.5 Å²	45.5	32%	0.315	24%	0.241	S	C	.	.	H	α-helix	trans	-60.1	-43.8	177.1	-59.1	0	0	0	0	111.5	N123 L124 L130	N123-S126 PolarHBondContact O-N 3.14Å; N123-S126 WeakPolarHBondContact OD1-CB 3.48Å; N123-S126 PolarHBondContact OD1-N 3.22Å; N123-S126 PolarHBondContact OD1-OG 2.84Å; L124-S126 VanDerWaalsContact C-N 3.31Å; L124-S126 PolarHBondContact O-N 3.36Å; S126-L130 WeakPolarHBondContact O-CB 3.4Å; S126-L130 PolarHBondContact O-N 3.44Å
127	K	98.3	Very high	97.3	Very high	1 Å²	1	49.5 Å²	49.5	0%	0.004	26%	0.259	C	S	.	.	H	α-helix	trans	-69.2	-44.4	177.9	-69.6	-179.1	-170.2	-77.4	0	111.7	E118 I120 V121 E122 N123 L124 D125 N129 L130 F131 L151 I156	E118-K127 HydrophobicContact CG-CG 4.48Å; E118-K127 IonicContact OE1-NZ 3.61Å; E118-K127 PolarHBondContact OE1-NZ 2.78Å; E118-K127 WeakPolarHBondContact OE2-CD 3.4Å; E118-K127 IonicContact OE2-NZ 2.66Å; E118-K127 PolarHBondContact OE2-NZ 3.36Å; I120-K127 HydrophobicContact CD1-CG 4.16Å; I120-K127 HydrophobicContact CG1-CG 4.07Å; I120-K127 PolarHBondContact O-NZ 3.16Å; V121-K127 WeakPolarHBondContact O-CE 3.36Å; E122-K127 WeakPolarHBondContact OE2-CE 3.15Å; E122-K127 IonicContact OE2-NZ 3.67Å; E122-K127 PolarHBondContact OE2-NZ 3.11Å; N123-K127 WeakPolarHBondContact O-CG 3.33Å; N123-K127 PolarHBondContact O-N 3.47Å; N123-K127 VanDerWaalsContact O-N 3.09Å; L124-K127 PolarHBondContact O-N 3.3Å; L124-K127 VanDerWaalsContact O-N 3.14Å; D125-K127 VanDerWaalsContact C-N 3.33Å; D125-K127 PolarHBondContact O-N 3.11Å; K127-N129 PolarHBondContact O-N 3.09Å; K127-L130 PolarHBondContact O-N 3.25Å; K127-F131 WeakPolarHBondContact O-CD2 3.34Å; K127-F131 PolarHBondContact O-N 3.44Å; K127-L151 HydrophobicContact CD-CD1 3.79Å; K127-I156 HydrophobicContact CB-CG2 4.4Å; K127-I156 HydrophobicContact CD-CD1 4.19Å
128	V	98.3	Very high	97.2	Very high	26 Å²	26	49.9 Å²	49.9	16%	0.158	26%	0.263	C	S	.	.	H	α-helix	trans	-57.7	-49.2	177.2	170.6	0	0	0	0	110.6	L124 D125 L130 F131 Q132	L124-V128 HydrophobicContact CD1-CG2 3.96Å; L124-V128 HydrophobicContact CG-CG2 4.21Å; L124-V128 WeakPolarHBondContact O-CG2 3.38Å; L124-V128 PolarHBondContact O-N 3Å; D125-V128 PolarHBondContact O-N 3.45Å; V128-L130 VanDerWaalsContact C-N 3.33Å; V128-L130 PolarHBondContact O-N 2.94Å; V128-F131 PolarHBondContact O-N 3.05Å; V128-Q132 WeakPolarHBondContact O-CG 3.42Å; V128-Q132 PolarHBondContact O-N 3.22Å
129	N	98	Very high	97.2	Very high	93 Å²	93	51.2 Å²	51.2	50%	0.497	27%	0.272	S	S	.	.	H	α-helix	trans	-62.3	-39.6	178.5	-71.2	-27.4	0	0	0	112.3	D125 K127 T133	D125-N129 WeakPolarHBondContact O-CB 3.46Å; D125-N129 PolarHBondContact O-N 2.97Å; D125-N129 PolarHBondContact O-ND2 3.49Å; D125-N129 VanDerWaalsContact O-ND2 3.13Å; K127-N129 PolarHBondContact O-N 3.09Å; N129-T133 PolarHBondContact O-N 2.9Å; N129-T133 VanDerWaalsContact O-N 3.14Å; N129-T133 PolarHBondContact O-OG1 2.92Å
130	L	98.3	Very high	97.1	Very high	20 Å²	20	54.8 Å²	54.8	11%	0.105	30%	0.296	C	S	.	.	H	α-helix	trans	-64.5	-45.4	175.8	174.9	58.8	0	0	0	111.5	I37 L106 E118 I120 S126 K127 V128 Q132 T133 L134	I37-L130 HydrophobicContact CB-CD2 4.1Å; I37-L130 HydrophobicContact CG2-CD1 3.97Å; I37-L130 HydrophobicContact CG2-CD2 3.67Å; I37-L130 HydrophobicContact CG2-CG 4.48Å; L106-L130 HydrophobicContact CD2-CD1 3.62Å; E118-L130 HydrophobicContact CB-CD2 4.25Å; E118-L130 HydrophobicContact CG-CD2 3.48Å; E118-L130 VanDerWaalsContact CG-CD2 3.48Å; I120-L130 HydrophobicContact CD1-CB 4.45Å; I120-L130 HydrophobicContact CD1-CD2 3.89Å; I120-L130 HydrophobicContact CG1-CD2 4.06Å; I120-L130 HydrophobicContact CG2-CD2 3.91Å; S126-L130 WeakPolarHBondContact O-CB 3.4Å; S126-L130 PolarHBondContact O-N 3.44Å; K127-L130 PolarHBondContact O-N 3.25Å; V128-L130 VanDerWaalsContact C-N 3.33Å; V128-L130 PolarHBondContact O-N 2.94Å; L130-Q132 VanDerWaalsContact C-N 3.33Å; L130-Q132 PolarHBondContact O-N 2.74Å; L130-T133 WeakPolarHBondContact O-CB 3.25Å; L130-T133 PolarHBondContact O-N 2.72Å; L130-T133 VanDerWaalsContact O-N 3.11Å; L130-L134 HydrophobicContact CD1-CD1 4.24Å; L130-L134 HydrophobicContact CD1-CG 4.13Å; L130-L134 HydrophobicContact CG-CD1 4.04Å; L130-L134 HydrophobicContact CG-CG 4.39Å; L130-L134 WeakPolarHBondContact O-CG 3.43Å; L130-L134 PolarHBondContact O-N 3.33Å
131	F	98.6	Very high	96.9	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-65.4	-35.4	179.5	-85	-66.4	0	0	0	112.8	E118 K127 V128 T133 L134 E135 L144 I156 L160 F166	E118-F131 HydrophobicContact CB-CE1 4.34Å; E118-F131 HydrophobicContact CB-CE2 3.85Å; E118-F131 HydrophobicContact CB-CZ 3.5Å; E118-F131 HydrophobicContact CG-CE2 3.92Å; E118-F131 HydrophobicContact CG-CZ 4.11Å; K127-F131 WeakPolarHBondContact O-CD2 3.34Å; K127-F131 PolarHBondContact O-N 3.44Å; V128-F131 PolarHBondContact O-N 3.05Å; F131-T133 VanDerWaalsContact C-N 3.31Å; F131-T133 PolarHBondContact O-N 2.92Å; F131-L134 HydrophobicContact CD1-CD1 4.07Å; F131-L134 HydrophobicContact CE1-CD1 4.17Å; F131-L134 PolarHBondContact O-N 3Å; F131-E135 WeakPolarHBondContact O-CB 3.35Å; F131-E135 PolarHBondContact O-N 3.18Å; F131-L144 HydrophobicContact CD1-CB 4.05Å; F131-L144 HydrophobicContact CE1-CB 3.92Å; F131-I156 HydrophobicContact CD2-CG2 3.32Å; F131-I156 HydrophobicContact CE2-CG2 3.53Å; F131-I156 HydrophobicContact CG-CG2 4.31Å; F131-L160 HydrophobicContact CB-CD1 4.4Å; F131-L160 HydrophobicContact CB-CD2 4.02Å; F131-L160 HydrophobicContact CB-CG 4.44Å; F131-L160 WeakPolarHBondContact O-CD2 3.39Å; F131-F166 HydrophobicContact CD1-CD2 4.08Å; F131-F166 AromaticContact CD1-CE2 3.88Å; F131-F166 HydrophobicContact CD1-CE2 3.88Å; F131-F166 HydrophobicContact CD2-CE2 4.02Å; F131-F166 AromaticContact CE1-CD2 3.95Å; F131-F166 HydrophobicContact CE1-CD2 3.95Å; F131-F166 AromaticContact CE1-CE2 3.62Å; F131-F166 HydrophobicContact CE1-CE2 3.62Å; F131-F166 AromaticContact CE2-CE2 3.77Å; F131-F166 HydrophobicContact CE2-CE2 3.77Å; F131-F166 HydrophobicContact CE2-CZ 4.44Å; F131-F166 HydrophobicContact CG-CE2 4.09Å; F131-F166 HydrophobicContact CZ-CD2 4.34Å; F131-F166 AromaticContact CZ-CE2 3.57Å; F131-F166 HydrophobicContact CZ-CE2 3.57Å; F131-F166 HydrophobicContact CZ-CZ 4.46Å
132	Q	98.1	Very high	97.1	Very high	68 Å²	68	52.6 Å²	52.6	32%	0.318	28%	0.278	S	S	.	.	H	α-helix	trans	-62.9	-38.2	171.3	-71.2	178	-38.9	0	0	112.5	V128 L130 K136 S159	V128-Q132 WeakPolarHBondContact O-CG 3.42Å; V128-Q132 PolarHBondContact O-N 3.22Å; L130-Q132 VanDerWaalsContact C-N 3.33Å; L130-Q132 PolarHBondContact O-N 2.74Å; Q132-K136 WeakPolarHBondContact O-CG 3.43Å; Q132-K136 PolarHBondContact O-N 2.81Å; Q132-S159 VanDerWaalsContact CG-OG 3.28Å; Q132-S159 WeakPolarHBondContact CG-OG 3.5Å
133	T	98	Very high	97.3	Very high	58 Å²	58	49.4 Å²	49.4	36%	0.356	26%	0.263	S	S	.	.	H	α-helix	trans	-67.6	-47.3	174.7	-56.1	0	0	0	0	110.5	L106 N129 L130 F131 E135 K136 E137	L106-T133 HydrophobicContact CD2-CG2 3.76Å; N129-T133 PolarHBondContact O-N 2.9Å; N129-T133 VanDerWaalsContact O-N 3.14Å; N129-T133 PolarHBondContact O-OG1 2.92Å; L130-T133 WeakPolarHBondContact O-CB 3.25Å; L130-T133 PolarHBondContact O-N 2.72Å; L130-T133 VanDerWaalsContact O-N 3.11Å; F131-T133 VanDerWaalsContact C-N 3.31Å; F131-T133 PolarHBondContact O-N 2.92Å; T133-E135 VanDerWaalsContact C-N 3.3Å; T133-E135 PolarHBondContact O-N 2.79Å; T133-K136 WeakPolarHBondContact O-CB 3.45Å; T133-K136 PolarHBondContact O-N 2.93Å; T133-E137 HydrophobicContact CG2-CG 4.03Å; T133-E137 WeakPolarHBondContact O-CG 3.33Å; T133-E137 PolarHBondContact O-N 3.01Å
134	L	98.2	Very high	97.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59.2	-38.5	177.1	-76	172.4	0	0	0	112.7	I37 L106 A110 C116 L130 F131 K136 E137 A138 L144	I37-L134 HydrophobicContact CD1-CD1 4.12Å; I37-L134 HydrophobicContact CD1-CD2 4.07Å; I37-L134 HydrophobicContact CG1-CD2 4.45Å; L106-L134 HydrophobicContact CD1-CD2 3.84Å; L106-L134 HydrophobicContact CD2-CD2 4.44Å; L106-L134 HydrophobicContact CG-CD2 4.44Å; A110-L134 HydrophobicContact CB-CD2 4.41Å; C116-L134 HydrophobicContact CB-CD1 4.23Å; C116-L134 HydrophobicContact CB-CD2 4.04Å; L130-L134 HydrophobicContact CD1-CD1 4.24Å; L130-L134 HydrophobicContact CD1-CG 4.13Å; L130-L134 HydrophobicContact CG-CD1 4.04Å; L130-L134 HydrophobicContact CG-CG 4.39Å; L130-L134 WeakPolarHBondContact O-CG 3.43Å; L130-L134 PolarHBondContact O-N 3.33Å; F131-L134 HydrophobicContact CD1-CD1 4.07Å; F131-L134 HydrophobicContact CE1-CD1 4.17Å; F131-L134 PolarHBondContact O-N 3Å; L134-K136 PolarHBondContact O-N 2.84Å; L134-E137 PolarHBondContact O-N 3.25Å; L134-A138 WeakPolarHBondContact O-CB 3.18Å; L134-A138 PolarHBondContact O-N 2.73Å; L134-L144 HydrophobicContact CB-CD1 4.48Å; L134-L144 HydrophobicContact CB-CD2 4.07Å
135	E	98	Very high	97.7	Very high	31 Å²	31	43.9 Å²	43.9	15%	0.145	23%	0.234	C	C	.	.	H	α-helix	trans	-64.4	-27.9	177.4	177.3	168.5	-107.3	0	0	113	F131 T133 L144 L160 K161 N162 R165	F131-E135 WeakPolarHBondContact O-CB 3.35Å; F131-E135 PolarHBondContact O-N 3.18Å; T133-E135 VanDerWaalsContact C-N 3.3Å; T133-E135 PolarHBondContact O-N 2.79Å; E135-L144 HydrophobicContact CB-CD1 4.24Å; E135-L160 HydrophobicContact CB-CD2 3.75Å; E135-L160 HydrophobicContact CG-CD2 4.37Å; E135-K161 VanDerWaalsContact CD-N 3.28Å; E135-K161 PolarHBondContact OE1-N 2.85Å; E135-K161 PolarHBondContact OE2-N 3.39Å; E135-N162 PolarHBondContact OE1-N 3.15Å; E135-R165 PolarHBondContact O-NH2 3.39Å
136	K	97.2	Very high	97.8	Very high	167 Å²	167	38.9 Å²	38.9	73%	0.726	21%	0.207	S	C	*	.	H	α-helix	trans	-83	-41.9	176.5	-65.4	170.5	-174.1	175.3	0	112.6	Q132 T133 L134	Q132-K136 WeakPolarHBondContact O-CG 3.43Å; Q132-K136 PolarHBondContact O-N 2.81Å; T133-K136 WeakPolarHBondContact O-CB 3.45Å; T133-K136 PolarHBondContact O-N 2.93Å; L134-K136 PolarHBondContact O-N 2.84Å
137	E	97.5	Very high	97.8	Very high	83 Å²	83	37.3 Å²	37.3	39%	0.388	20%	0.195	S	C	.	.	H	α-helix	trans	-88	-30	-171.1	-62.4	-60.4	151.7	0	0	113.5	A107 A110 T133 L134	A107-E137 HydrophobicContact CB-CG 4.37Å; A107-E137 VanDerWaalsContact CB-OE2 3.26Å; A107-E137 WeakPolarHBondContact CB-OE2 3.43Å; A110-E137 HydrophobicContact CB-CB 4.03Å; T133-E137 HydrophobicContact CG2-CG 4.03Å; T133-E137 WeakPolarHBondContact O-CG 3.33Å; T133-E137 PolarHBondContact O-N 3.01Å; L134-E137 PolarHBondContact O-N 3.25Å
138	A	97.7	Very high	97.7	Very high	8 Å²	8	37.2 Å²	37.2	7%	0.066	20%	0.195	C	C	.	.	S	Bend	trans	-87.1	149.1	-179.9	0	0	0	0	0	111.4	A110 L134 A142 L144	A110-A138 HydrophobicContact CB-CB 4.31Å; L134-A138 WeakPolarHBondContact O-CB 3.18Å; L134-A138 PolarHBondContact O-N 2.73Å; A138-A142 HydrophobicContact CB-CB 3.9Å; A138-L144 HydrophobicContact CB-CD2 4.35Å
139	P	97.4	Very high	97.2	Very high	29 Å²	29	37.8 Å²	37.8	19%	0.188	20%	0.199	C	C	.	.			trans	-50.9	151.3	172.2	-25.3	32.4	0	0	0	112.4	A110 K111 E141 A142 R165	A110-P139 VanDerWaalsContact O-CD 3.23Å; A110-P139 WeakPolarHBondContact O-CD 2.95Å; K111-P139 WeakPolarHBondContact O-CD 3.49Å; K111-P139 VanDerWaalsContact O-CG 3.29Å; K111-P139 WeakPolarHBondContact O-CG 3.39Å; P139-E141 HydrophobicContact CB-CG 4.17Å; P139-E141 VanDerWaalsContact CB-OE1 3.23Å; P139-E141 WeakPolarHBondContact CB-OE1 3.48Å; P139-E141 WeakPolarHBondContact CB-OE2 3.19Å; P139-E141 PolarHBondContact O-N 2.85Å; P139-E141 VanDerWaalsContact O-N 3.15Å; P139-A142 HydrophobicContact CB-CB 4.45Å; P139-A142 WeakPolarHBondContact O-CB 3.3Å; P139-A142 PolarHBondContact O-N 3.47Å; P139-R165 PolarHBondContact O-NH1 3.27Å
140	S	96	Very high	96.5	Very high	87 Å²	87	34 Å²	34	61%	0.608	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-25.2	-175.3	63	0	0	0	0	114.3	R165	S140-R165 WeakPolarHBondContact O-CD 3.42Å; S140-R165 PolarHBondContact O-NH1 2.58Å; S140-R165 VanDerWaalsContact O-NH1 3.15Å
141	E	95.1	Very high	96.2	Very high	99 Å²	99	34 Å²	34	46%	0.463	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-17.3	179.2	62.7	-83.3	-163.9	0	0	112.5	M29 P139 L143	M29-E141 WeakPolarHBondContact CE-O 3.41Å; M29-E141 HydrophobicContact SD-CB 4.48Å; P139-E141 HydrophobicContact CB-CG 4.17Å; P139-E141 VanDerWaalsContact CB-OE1 3.23Å; P139-E141 WeakPolarHBondContact CB-OE1 3.48Å; P139-E141 WeakPolarHBondContact CB-OE2 3.19Å; P139-E141 PolarHBondContact O-N 2.85Å; P139-E141 VanDerWaalsContact O-N 3.15Å; E141-L143 PolarHBondContact O-N 2.64Å
142	A	97.6	Very high	96	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.186	C	C	.	.			trans	-60.5	133.8	179.7	0	0	0	0	0	110.7	A113 A138 P139 R165	A113-A142 WeakPolarHBondContact O-CB 3.49Å; A138-A142 HydrophobicContact CB-CB 3.9Å; P139-A142 HydrophobicContact CB-CB 4.45Å; P139-A142 WeakPolarHBondContact O-CB 3.3Å; P139-A142 PolarHBondContact O-N 3.47Å; A142-R165 VanDerWaalsContact O-CD 3.28Å; A142-R165 WeakPolarHBondContact O-CD 3.28Å; A142-R165 PolarHBondContact O-NH1 2.87Å
143	L	98.3	Very high	95.9	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	136.7	173.2	-60.7	-173.5	0	0	0	110.2	M29 I31 D114 L115 C116 E141 R165 T193 A196 L197	M29-L143 HydrophobicContact CE-CD1 4.1Å; M29-L143 HydrophobicContact CE-CD2 3.22Å; M29-L143 HydrophobicContact CE-CG 3.51Å; I31-L143 HydrophobicContact CD1-CD1 4.05Å; D114-L143 PolarHBondContact O-N 2.67Å; L115-L143 HydrophobicContact CD1-CB 3.69Å; C116-L143 PolarHBondContact N-O 3.25Å; E141-L143 PolarHBondContact O-N 2.64Å; L143-R165 HydrophobicContact CD2-CB 4.11Å; L143-T193 HydrophobicContact CD1-CG2 4.48Å; L143-T193 HydrophobicContact CD2-CG2 3.91Å; L143-A196 HydrophobicContact CD1-CB 3.78Å; L143-L197 HydrophobicContact CD1-CD2 3.84Å; L143-L197 HydrophobicContact CD1-CG 3.99Å
144	L	98.6	Very high	95.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	108.1	-179.6	-57.3	-174.7	0	0	0	108.5	C116 F131 L134 E135 A138 L160 R165 F166 A167	C116-L144 HydrophobicContact CB-CD2 3.85Å; F131-L144 HydrophobicContact CD1-CB 4.05Å; F131-L144 HydrophobicContact CE1-CB 3.92Å; L134-L144 HydrophobicContact CB-CD1 4.48Å; L134-L144 HydrophobicContact CB-CD2 4.07Å; E135-L144 HydrophobicContact CB-CD1 4.24Å; A138-L144 HydrophobicContact CB-CD2 4.35Å; L144-L160 HydrophobicContact CD1-CD1 4.44Å; L144-R165 HydrophobicContact CG-CG 4.3Å; L144-R165 PolarHBondContact N-O 3.17Å; L144-F166 HydrophobicContact CB-CD2 4.38Å; L144-F166 WeakPolarHBondContact O-CA 3.34Å; L144-F166 VanDerWaalsContact O-CD2 3.29Å; L144-F166 WeakPolarHBondContact O-CD2 3.02Å; L144-A167 PolarHBondContact O-N 2.83Å
145	V	98.7	Very high	95.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	148.4	-175.9	-53.9	0	0	0	0	113	L115 C116 I117 E118 A167 L169 L197	L115-V145 HydrophobicContact CD1-CB 4.49Å; L115-V145 HydrophobicContact CD1-CG1 3.93Å; L115-V145 HydrophobicContact CD1-CG2 3.76Å; C116-V145 PolarHBondContact O-N 2.93Å; I117-V145 WeakPolarHBondContact CA-O 3.4Å; I117-V145 HydrophobicContact CB-CG2 4.09Å; I117-V145 HydrophobicContact CG1-CG2 3.75Å; I117-V145 HydrophobicContact CG2-CG2 4.13Å; E118-V145 PolarHBondContact N-O 2.82Å; V145-A167 WeakPolarHBondContact CA-O 3.3Å; V145-A167 WeakPolarHBondContact CB-O 3.48Å; V145-A167 HydrophobicContact CG1-CB 4.25Å; V145-L169 HydrophobicContact CB-CB 3.89Å; V145-L169 HydrophobicContact CG1-CB 4.44Å; V145-L169 HydrophobicContact CG2-CB 3.72Å; V145-L169 HydrophobicContact CG2-CD2 3.92Å; V145-L169 HydrophobicContact CG2-CG 4.48Å; V145-L197 HydrophobicContact CG1-CD1 3.76Å; V145-L197 HydrophobicContact CG1-CD2 3.77Å; V145-L197 HydrophobicContact CG1-CG 4.4Å
146	T	98.6	Very high	95.6	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	137.4	175.9	177	0	0	0	0	111.1	E118 T148 L153 I156 F166 A167 G168 L169	E118-T146 WeakPolarHBondContact OE2-CB 3.31Å; E118-T146 PolarHBondContact OE2-OG1 2.82Å; T146-T148 VanDerWaalsContact C-N 3.25Å; T146-T148 HydrophobicContact CG2-CG2 3.52Å; T146-T148 WeakPolarHBondContact OG1-CB 3.21Å; T146-T148 WeakPolarHBondContact OG1-CG2 3.39Å; T146-T148 PolarHBondContact OG1-N 2.86Å; T146-L153 HydrophobicContact CG2-CG 4.43Å; T146-I156 HydrophobicContact CG2-CD1 4.1Å; T146-F166 HydrophobicContact CG2-CE1 4.42Å; T146-F166 HydrophobicContact CG2-CE2 4.28Å; T146-F166 HydrophobicContact CG2-CZ 3.66Å; T146-A167 PolarHBondContact N-O 3.41Å; T146-A167 VanDerWaalsContact N-O 3.1Å; T146-G168 WeakPolarHBondContact O-CA 3.16Å; T146-L169 PolarHBondContact O-N 2.9Å
147	N	97.9	Very high	95.6	Very high	12 Å²	12	26.2 Å²	26.2	6%	0.064	15%	0.152	C	C	.	.			trans	-84.4	5.5	169.4	-174.8	76.8	0	0	0	112.6	I46 E118 A119 S149 L169 F171	I46-N147 HydrophobicContact CD1-CB 4.31Å; E118-N147 VanDerWaalsContact O-CB 3.3Å; E118-N147 WeakPolarHBondContact O-CB 3.29Å; E118-N147 PolarHBondContact O-N 3.25Å; A119-N147 HydrophobicContact CB-CB 4.24Å; N147-S149 PolarHBondContact O-N 3.05Å; N147-L169 PolarHBondContact OD1-O 3.42Å; N147-F171 WeakPolarHBondContact OD1-CB 3.46Å; N147-F171 WeakPolarHBondContact OD1-CD2 3.43Å; N147-F171 PolarHBondContact OD1-N 2.86Å
148	T	95.7	Very high	95.6	Very high	0 Å²	0	25 Å²	25	0%	0	16%	0.156	C	C	.	.			trans	-41.3	141	176.9	-176.8	0	0	0	0	111.8	E122 T146 S150 L151 L153 I156 F217	E122-T148 PolarHBondContact OE1-OG1 3.32Å; T146-T148 VanDerWaalsContact C-N 3.25Å; T146-T148 HydrophobicContact CG2-CG2 3.52Å; T146-T148 WeakPolarHBondContact OG1-CB 3.21Å; T146-T148 WeakPolarHBondContact OG1-CG2 3.39Å; T146-T148 PolarHBondContact OG1-N 2.86Å; T148-S150 PolarHBondContact OG1-N 3.37Å; T148-L151 WeakPolarHBondContact OG1-CB 3.37Å; T148-L151 PolarHBondContact OG1-N 2.9Å; T148-L153 HydrophobicContact CG2-CD1 4.09Å; T148-I156 HydrophobicContact CG2-CD1 3.89Å; T148-F217 HydrophobicContact CG2-CZ 4.32Å; T148-F217 VanDerWaalsContact O-CE2 3.27Å; T148-F217 WeakPolarHBondContact O-CE2 3.41Å
149	S	87.9	Confident	95.4	Very high	37 Å²	37	26.7 Å²	26.7	26%	0.259	17%	0.168	S	C	.	.	S	Bend	trans	-107.4	-8.9	-179.8	63	0	0	0	0	112.7	E122 N147	E122-S149 PolarHBondContact OE1-N 3.46Å; E122-S149 PolarHBondContact OE1-OG 3.49Å; E122-S149 VanDerWaalsContact OE1-OG 3.09Å; N147-S149 PolarHBondContact O-N 3.05Å
150	S	83.7	Confident	95.5	Very high	14 Å²	14	25.4 Å²	25.4	10%	0.098	16%	0.159	C	C	.	.	S	Bend	trans	-146	-34.6	-164.5	64	0	0	0	0	114.9	E122 T148	E122-S150 WeakPolarHBondContact CG-OG 3.37Å; E122-S150 PolarHBondContact OE1-N 2.87Å; E122-S150 PolarHBondContact OE1-OG 3.02Å; T148-S150 PolarHBondContact OG1-N 3.37Å
151	L	92	Very high	95.5	Very high	19 Å²	19	29.9 Å²	29.9	10%	0.099	17%	0.168	C	C	.	.	S	Bend	trans	-79.2	136.9	-175.5	-62	170.8	0	0	0	111.4	E122 L124 K127 T148 L153 I156	E122-L151 HydrophobicContact CG-CD1 4.29Å; E122-L151 HydrophobicContact CG-CG 4.38Å; L124-L151 HydrophobicContact CB-CD1 4.39Å; L124-L151 HydrophobicContact CB-CD2 4.43Å; K127-L151 HydrophobicContact CD-CD1 3.79Å; T148-L151 WeakPolarHBondContact OG1-CB 3.37Å; T148-L151 PolarHBondContact OG1-N 2.9Å; L151-L153 PolarHBondContact O-N 3.14Å; L151-I156 HydrophobicContact CB-CD1 3.94Å; L151-I156 HydrophobicContact CB-CG1 4.4Å
152	P	93.3	Very high	95.6	Very high	20 Å²	20	29.3 Å²	29.3	13%	0.13	17%	0.168	C	C	.	.			trans	-63	133.3	178.3	-22.8	35.1	0	0	0	111.6	S154 E155 I156 R280	P152-S154 PolarHBondContact O-N 3.43Å; P152-E155 HydrophobicContact CB-CB 4.41Å; P152-E155 HydrophobicContact CB-CG 4.14Å; P152-E155 HydrophobicContact CG-CG 4.34Å; P152-E155 PolarHBondContact O-N 3.09Å; P152-I156 PolarHBondContact O-N 3.04Å; P152-R280 VanDerWaalsContact CG-CZ 3.4Å; P152-R280 VanDerWaalsContact CG-NH2 3.3Å
153	L	97	Very high	95.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-64.6	-33.5	178.3	-82	64.2	0	0	0	110.9	T146 T148 L151 E155 I156 C157 F166 V184 A186 D213 F217	T146-L153 HydrophobicContact CG2-CG 4.43Å; T148-L153 HydrophobicContact CG2-CD1 4.09Å; L151-L153 PolarHBondContact O-N 3.14Å; L153-E155 VanDerWaalsContact C-N 3.29Å; L153-E155 PolarHBondContact O-N 2.79Å; L153-I156 PolarHBondContact O-N 3.13Å; L153-C157 PolarHBondContact O-N 3.12Å; L153-C157 PolarHBondContact O-SG 3.1Å; L153-F166 HydrophobicContact CB-CE1 3.87Å; L153-F166 HydrophobicContact CD2-CE1 4.3Å; L153-F166 HydrophobicContact CG-CE1 3.95Å; L153-V184 HydrophobicContact CD1-CG1 4.06Å; L153-V184 HydrophobicContact CD2-CB 3.85Å; L153-V184 HydrophobicContact CD2-CG1 3.67Å; L153-V184 WeakPolarHBondContact CD2-O 3.38Å; L153-A186 HydrophobicContact CB-CB 3.98Å; L153-A186 HydrophobicContact CD2-CB 4.08Å; L153-D213 HydrophobicContact CB-CB 4.28Å; L153-D213 WeakPolarHBondContact CB-OD2 3.03Å; L153-D213 PolarHBondContact N-OD1 3.27Å; L153-D213 PolarHBondContact N-OD2 2.92Å; L153-F217 HydrophobicContact CD1-CE1 3.89Å; L153-F217 HydrophobicContact CD1-CZ 4.02Å
154	S	94.7	Very high	95.6	Very high	69 Å²	69	38.2 Å²	38.2	48%	0.483	21%	0.208	S	C	.	.	H	α-helix	trans	-57.4	-39	175.2	59.2	0	0	0	0	113.1	P152 A158 D213	P152-S154 PolarHBondContact O-N 3.43Å; S154-A158 WeakPolarHBondContact O-CB 3.2Å; S154-A158 PolarHBondContact O-N 2.75Å; S154-D213 PolarHBondContact N-OD2 2.87Å; S154-D213 VanDerWaalsContact N-OD2 3.11Å
155	E	95.7	Very high	95.6	Very high	69 Å²	69	39 Å²	39	32%	0.322	21%	0.211	S	C	.	.	H	α-helix	trans	-73.9	-43	177.2	-67.2	176.6	-158.7	0	0	111.1	L124 P152 L153 A158 R280	L124-E155 HydrophobicContact CD1-CB 3.89Å; L124-E155 HydrophobicContact CD2-CB 4.24Å; L124-E155 WeakPolarHBondContact CD2-OE2 3.47Å; P152-E155 HydrophobicContact CB-CB 4.41Å; P152-E155 HydrophobicContact CB-CG 4.14Å; P152-E155 HydrophobicContact CG-CG 4.34Å; P152-E155 PolarHBondContact O-N 3.09Å; L153-E155 VanDerWaalsContact C-N 3.29Å; L153-E155 PolarHBondContact O-N 2.79Å; E155-A158 WeakPolarHBondContact O-CB 3.37Å; E155-A158 PolarHBondContact O-N 2.92Å; E155-R280 VanDerWaalsContact CD-NH2 3.31Å; E155-R280 IonicContact OE1-CZ 2.64Å; E155-R280 IonicContact OE1-NE 3.19Å; E155-R280 IonicContact OE1-NH2 2.67Å; E155-R280 PolarHBondContact OE1-NH2 3.48Å; E155-R280 IonicContact OE2-NH2 2.67Å; E155-R280 PolarHBondContact OE2-NH2 3.45Å
156	I	97.5	Very high	95.6	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-64.2	-46.1	-179.1	-63.3	169.1	0	0	0	111.6	L124 K127 F131 T146 T148 L151 P152 L153 A158 F166	L124-I156 HydrophobicContact CD1-CG1 3.85Å; K127-I156 HydrophobicContact CB-CG2 4.4Å; K127-I156 HydrophobicContact CD-CD1 4.19Å; F131-I156 HydrophobicContact CD2-CG2 3.32Å; F131-I156 HydrophobicContact CE2-CG2 3.53Å; F131-I156 HydrophobicContact CG-CG2 4.31Å; T146-I156 HydrophobicContact CG2-CD1 4.1Å; T148-I156 HydrophobicContact CG2-CD1 3.89Å; L151-I156 HydrophobicContact CB-CD1 3.94Å; L151-I156 HydrophobicContact CB-CG1 4.4Å; P152-I156 PolarHBondContact O-N 3.04Å; L153-I156 PolarHBondContact O-N 3.13Å; I156-A158 VanDerWaalsContact C-N 3.34Å; I156-F166 HydrophobicContact CB-CZ 3.99Å; I156-F166 HydrophobicContact CG2-CE2 3.91Å; I156-F166 HydrophobicContact CG2-CZ 3.63Å
157	C	97.1	Very high	95.6	Very high	3 Å²	3	39 Å²	39	2%	0.02	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-1.4	-175.8	74.5	0	0	0	0	114.2	L153 S159 L160 K163 F166	L153-C157 PolarHBondContact O-N 3.12Å; L153-C157 PolarHBondContact O-SG 3.1Å; C157-S159 PolarHBondContact O-N 3.31Å; C157-S159 VanDerWaalsContact O-N 3.1Å; C157-L160 HydrophobicContact CB-CD1 4.02Å; C157-L160 HydrophobicContact CB-CG 4.49Å; C157-L160 WeakPolarHBondContact O-CB 3.42Å; C157-L160 PolarHBondContact O-N 3.5Å; C157-K163 WeakPolarHBondContact O-CE 3.43Å; C157-F166 HydrophobicContact CB-CB 4.27Å; C157-F166 HydrophobicContact CB-CD1 3.38Å; C157-F166 HydrophobicContact CB-CD2 4.07Å; C157-F166 HydrophobicContact CB-CE1 3.58Å; C157-F166 HydrophobicContact CB-CE2 4.22Å; C157-F166 HydrophobicContact CB-CG 3.64Å; C157-F166 HydrophobicContact CB-CZ 4Å
158	A	96.3	Very high	95.6	Very high	58 Å²	58	38.4 Å²	38.4	48%	0.479	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-40.3	-173.5	0	0	0	0	0	112.8	S154 E155 I156 K163	S154-A158 WeakPolarHBondContact O-CB 3.2Å; S154-A158 PolarHBondContact O-N 2.75Å; E155-A158 WeakPolarHBondContact O-CB 3.37Å; E155-A158 PolarHBondContact O-N 2.92Å; I156-A158 VanDerWaalsContact C-N 3.34Å; A158-K163 WeakPolarHBondContact O-CE 3.28Å; A158-K163 PolarHBondContact O-NZ 3.38Å
159	S	94.9	Very high	95.7	Very high	43 Å²	43	38.4 Å²	38.4	30%	0.301	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-9.1	-176.7	67.6	0	0	0	0	115.1	Q132 C157	Q132-S159 VanDerWaalsContact CG-OG 3.28Å; Q132-S159 WeakPolarHBondContact CG-OG 3.5Å; C157-S159 PolarHBondContact O-N 3.31Å; C157-S159 VanDerWaalsContact O-N 3.1Å
160	L	97.9	Very high	96.2	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.01	20%	0.199	C	C	.	.			trans	-73.5	142.3	178.6	-65.3	-177.3	0	0	0	111.2	F131 E135 L144 C157 K163 F166	F131-L160 HydrophobicContact CB-CD1 4.4Å; F131-L160 HydrophobicContact CB-CD2 4.02Å; F131-L160 HydrophobicContact CB-CG 4.44Å; F131-L160 WeakPolarHBondContact O-CD2 3.39Å; E135-L160 HydrophobicContact CB-CD2 3.75Å; E135-L160 HydrophobicContact CG-CD2 4.37Å; L144-L160 HydrophobicContact CD1-CD1 4.44Å; C157-L160 HydrophobicContact CB-CD1 4.02Å; C157-L160 HydrophobicContact CB-CG 4.49Å; C157-L160 WeakPolarHBondContact O-CB 3.42Å; C157-L160 PolarHBondContact O-N 3.5Å; L160-K163 HydrophobicContact CB-CG 4.06Å; L160-K163 WeakPolarHBondContact O-CG 3.43Å; L160-K163 PolarHBondContact O-NZ 2.88Å; L160-F166 HydrophobicContact CD1-CB 4.07Å; L160-F166 HydrophobicContact CD1-CD2 3.69Å; L160-F166 HydrophobicContact CD1-CE2 4.45Å; L160-F166 HydrophobicContact CD1-CG 4.09Å
161	K	97.6	Very high	96.9	Very high	182 Å²	182	36.5 Å²	36.5	79%	0.791	19%	0.194	S	C	*	.	S	Bend	trans	-77.9	-48.3	172.6	-64	178.2	-178.5	178.7	0	110.9	E135 K163	E135-K161 VanDerWaalsContact CD-N 3.28Å; E135-K161 PolarHBondContact OE1-N 2.85Å; E135-K161 PolarHBondContact OE2-N 3.39Å; K161-K163 PolarHBondContact O-N 3.48Å
162	N	97.2	Very high	97	Very high	86 Å²	86	36.8 Å²	36.8	46%	0.46	20%	0.195	S	C	.	.			trans	-99.8	65.4	-175.8	-66.8	-25.3	0	0	0	111	E135 E164 R165	E135-N162 PolarHBondContact OE1-N 3.15Å; N162-E164 PolarHBondContact O-N 3.01Å; N162-E164 VanDerWaalsContact O-N 3.15Å; N162-R165 WeakPolarHBondContact O-CG 3.33Å; N162-R165 PolarHBondContact O-N 3.5Å
163	K	97.9	Very high	97	Very high	67 Å²	67	39.1 Å²	39.1	29%	0.291	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-64.3	-18.4	-175.4	-60.5	177.5	170.4	68	0	114.3	C157 A158 L160 K161 R165 F166 P188	C157-K163 WeakPolarHBondContact O-CE 3.43Å; A158-K163 WeakPolarHBondContact O-CE 3.28Å; A158-K163 PolarHBondContact O-NZ 3.38Å; L160-K163 HydrophobicContact CB-CG 4.06Å; L160-K163 WeakPolarHBondContact O-CG 3.43Å; L160-K163 PolarHBondContact O-NZ 2.88Å; K161-K163 PolarHBondContact O-N 3.48Å; K163-R165 PolarHBondContact O-N 2.86Å; K163-F166 WeakPolarHBondContact O-CB 3.31Å; K163-F166 PolarHBondContact O-N 3.33Å; K163-F166 VanDerWaalsContact O-N 3.08Å; K163-P188 HydrophobicContact CB-CB 3.68Å; K163-P188 HydrophobicContact CB-CG 3.47Å; K163-P188 VanDerWaalsContact CB-CG 3.47Å; K163-P188 HydrophobicContact CD-CG 4.1Å; K163-P188 HydrophobicContact CG-CG 4.39Å
164	E	98.1	Very high	96.6	Very high	122 Å²	122	41.7 Å²	41.7	57%	0.57	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-62.4	-27	-179	-67.2	-172.7	-173.7	0	0	114.3	N162 F166 P188 S190 T193	N162-E164 PolarHBondContact O-N 3.01Å; N162-E164 VanDerWaalsContact O-N 3.15Å; E164-F166 VanDerWaalsContact C-N 3.34Å; E164-P188 VanDerWaalsContact CA-O 3.3Å; E164-P188 WeakPolarHBondContact CA-O 3.44Å; E164-P188 WeakPolarHBondContact CG-O 3.35Å; E164-S190 PolarHBondContact O-N 3.47Å; E164-S190 PolarHBondContact O-OG 3.2Å; E164-T193 PolarHBondContact O-OG1 2.73Å
165	R	97.9	Very high	96.6	Very high	15 Å²	15	38.4 Å²	38.4	6%	0.057	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-90.5	3	177.4	80	-157.6	-178.8	132	-17	113.9	E135 P139 S140 A142 L143 L144 N162 K163 T193	E135-R165 PolarHBondContact O-NH2 3.39Å; P139-R165 PolarHBondContact O-NH1 3.27Å; S140-R165 WeakPolarHBondContact O-CD 3.42Å; S140-R165 PolarHBondContact O-NH1 2.58Å; S140-R165 VanDerWaalsContact O-NH1 3.15Å; A142-R165 VanDerWaalsContact O-CD 3.28Å; A142-R165 WeakPolarHBondContact O-CD 3.28Å; A142-R165 PolarHBondContact O-NH1 2.87Å; L143-R165 HydrophobicContact CD2-CB 4.11Å; L144-R165 HydrophobicContact CG-CG 4.3Å; L144-R165 PolarHBondContact N-O 3.17Å; N162-R165 WeakPolarHBondContact O-CG 3.33Å; N162-R165 PolarHBondContact O-N 3.5Å; K163-R165 PolarHBondContact O-N 2.86Å; R165-T193 WeakPolarHBondContact CA-OG1 3.15Å
166	F	98.6	Very high	96.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	138	-179.3	-179.3	-89.9	0	0	0	111.9	F131 L144 T146 L153 I156 C157 L160 K163 E164 A186 T189	F131-F166 HydrophobicContact CD1-CD2 4.08Å; F131-F166 AromaticContact CD1-CE2 3.88Å; F131-F166 HydrophobicContact CD1-CE2 3.88Å; F131-F166 HydrophobicContact CD2-CE2 4.02Å; F131-F166 AromaticContact CE1-CD2 3.95Å; F131-F166 HydrophobicContact CE1-CD2 3.95Å; F131-F166 AromaticContact CE1-CE2 3.62Å; F131-F166 HydrophobicContact CE1-CE2 3.62Å; F131-F166 AromaticContact CE2-CE2 3.77Å; F131-F166 HydrophobicContact CE2-CE2 3.77Å; F131-F166 HydrophobicContact CE2-CZ 4.44Å; F131-F166 HydrophobicContact CG-CE2 4.09Å; F131-F166 HydrophobicContact CZ-CD2 4.34Å; F131-F166 AromaticContact CZ-CE2 3.57Å; F131-F166 HydrophobicContact CZ-CE2 3.57Å; F131-F166 HydrophobicContact CZ-CZ 4.46Å; L144-F166 HydrophobicContact CB-CD2 4.38Å; L144-F166 WeakPolarHBondContact O-CA 3.34Å; L144-F166 VanDerWaalsContact O-CD2 3.29Å; L144-F166 WeakPolarHBondContact O-CD2 3.02Å; T146-F166 HydrophobicContact CG2-CE1 4.42Å; T146-F166 HydrophobicContact CG2-CE2 4.28Å; T146-F166 HydrophobicContact CG2-CZ 3.66Å; L153-F166 HydrophobicContact CB-CE1 3.87Å; L153-F166 HydrophobicContact CD2-CE1 4.3Å; L153-F166 HydrophobicContact CG-CE1 3.95Å; I156-F166 HydrophobicContact CB-CZ 3.99Å; I156-F166 HydrophobicContact CG2-CE2 3.91Å; I156-F166 HydrophobicContact CG2-CZ 3.63Å; C157-F166 HydrophobicContact CB-CB 4.27Å; C157-F166 HydrophobicContact CB-CD1 3.38Å; C157-F166 HydrophobicContact CB-CD2 4.07Å; C157-F166 HydrophobicContact CB-CE1 3.58Å; C157-F166 HydrophobicContact CB-CE2 4.22Å; C157-F166 HydrophobicContact CB-CG 3.64Å; C157-F166 HydrophobicContact CB-CZ 4Å; L160-F166 HydrophobicContact CD1-CB 4.07Å; L160-F166 HydrophobicContact CD1-CD2 3.69Å; L160-F166 HydrophobicContact CD1-CE2 4.45Å; L160-F166 HydrophobicContact CD1-CG 4.09Å; K163-F166 WeakPolarHBondContact O-CB 3.31Å; K163-F166 PolarHBondContact O-N 3.33Å; K163-F166 VanDerWaalsContact O-N 3.08Å; E164-F166 VanDerWaalsContact C-N 3.34Å; F166-A186 HydrophobicContact CD1-CB 4.44Å; F166-T189 WeakPolarHBondContact O-CB 3.33Å; F166-T189 VanDerWaalsContact O-CG2 3.26Å; F166-T189 WeakPolarHBondContact O-CG2 3.4Å; F166-T189 PolarHBondContact O-OG1 3.14Å
167	A	98.5	Very high	95.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	169.7	173.8	0	0	0	0	0	112	L144 V145 T146 T189 T193 I194 L197	L144-A167 PolarHBondContact O-N 2.83Å; V145-A167 WeakPolarHBondContact CA-O 3.3Å; V145-A167 WeakPolarHBondContact CB-O 3.48Å; V145-A167 HydrophobicContact CG1-CB 4.25Å; T146-A167 PolarHBondContact N-O 3.41Å; T146-A167 VanDerWaalsContact N-O 3.1Å; A167-T189 HydrophobicContact CB-CG2 4Å; A167-T193 HydrophobicContact CB-CG2 4.18Å; A167-I194 HydrophobicContact CB-CD1 4.46Å; A167-L197 HydrophobicContact CB-CD1 3.63Å
168	G	98.4	Very high	95.7	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.01	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	139.5	164.4	0	0	0	0	0	110.3	T146 I183 V184	T146-G168 WeakPolarHBondContact O-CA 3.16Å; G168-I183 WeakPolarHBondContact O-CA 3.42Å; G168-V184 PolarHBondContact N-O 2.84Å; G168-V184 PolarHBondContact O-N 3.47Å
169	L	98.4	Very high	95.7	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	82.6	174.4	-171.2	69.6	0	0	0	108	I117 V145 T146 N147 F171 V181 I183 L197 Y200 V201	I117-L169 HydrophobicContact CD1-CD2 4.18Å; V145-L169 HydrophobicContact CB-CB 3.89Å; V145-L169 HydrophobicContact CG1-CB 4.44Å; V145-L169 HydrophobicContact CG2-CB 3.72Å; V145-L169 HydrophobicContact CG2-CD2 3.92Å; V145-L169 HydrophobicContact CG2-CG 4.48Å; T146-L169 PolarHBondContact O-N 2.9Å; N147-L169 PolarHBondContact OD1-O 3.42Å; L169-F171 HydrophobicContact CD2-CE2 3.66Å; L169-F171 HydrophobicContact CD2-CZ 4.02Å; L169-F171 HydrophobicContact CG-CD2 4.43Å; L169-F171 HydrophobicContact CG-CE2 3.67Å; L169-F171 HydrophobicContact CG-CZ 4.23Å; L169-F171 WeakPolarHBondContact O-CD2 3.4Å; L169-V181 HydrophobicContact CD1-CG1 3.6Å; L169-V181 HydrophobicContact CG-CG1 4.02Å; L169-I183 HydrophobicContact CD1-CD1 4.47Å; L169-I183 HydrophobicContact CD1-CG1 3.94Å; L169-L197 HydrophobicContact CD2-CD2 4.34Å; L169-Y200 HydrophobicContact CD2-CD1 4.11Å; L169-Y200 HydrophobicContact CD2-CE1 3.98Å; L169-V201 HydrophobicContact CD1-CG2 3.79Å
170	H	98.1	Very high	95.8	Very high	10 Å²	10	49.4 Å²	49.4	5%	0.046	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	111.5	-168.6	173.2	-127.4	0	0	0	111.1	F172 V181 E182 F217	H170-F172 AromaticContact CE1-CE1 3.65Å; H170-F172 AromaticContact CE1-CZ 3.61Å; H170-F172 AromaticContact ND1-CE2 3.97Å; H170-F172 AromaticContact ND1-CZ 3.67Å; H170-V181 WeakPolarHBondContact O-CA 3.42Å; H170-E182 HydrophobicContact CB-CB 4.17Å; H170-E182 IonicContact CE1-OE2 2.83Å; H170-E182 IonicContact CG-OE2 3.37Å; H170-E182 PolarHBondContact N-O 3.25Å; H170-E182 IonicContact ND1-OE2 2.65Å; H170-E182 PolarHBondContact ND1-OE2 2.86Å; H170-E182 PolarHBondContact O-N 2.98Å; H170-F217 HydrophobicContact CB-CD2 4.16Å; H170-F217 HydrophobicContact CB-CE2 3.97Å; H170-F217 AromaticContact CG-CE2 3.99Å; H170-F217 AromaticContact ND1-CD2 3.74Å
171	F	97.8	Very high	95.8	Very high	1 Å²	1	49.3 Å²	49.3	0%	0.004	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	146.8	174.3	-67.6	-97.7	0	0	0	111	M42 I46 N147 L169 V175 V181 Y200 L204 K206	M42-F171 HydrophobicContact CE-CB 4.24Å; M42-F171 WeakPolarHBondContact CE-O 3.4Å; I46-F171 HydrophobicContact CD1-CB 4.44Å; I46-F171 HydrophobicContact CD1-CD2 3.63Å; I46-F171 HydrophobicContact CD1-CE2 4.09Å; I46-F171 HydrophobicContact CD1-CG 4.17Å; I46-F171 HydrophobicContact CG1-CB 4.24Å; I46-F171 HydrophobicContact CG1-CD1 4.38Å; I46-F171 HydrophobicContact CG1-CD2 3.78Å; I46-F171 HydrophobicContact CG1-CE2 4.17Å; I46-F171 HydrophobicContact CG1-CG 3.89Å; I46-F171 HydrophobicContact CG2-CE2 4.2Å; I46-F171 HydrophobicContact CG2-CZ 4.25Å; N147-F171 WeakPolarHBondContact OD1-CB 3.46Å; N147-F171 WeakPolarHBondContact OD1-CD2 3.43Å; N147-F171 PolarHBondContact OD1-N 2.86Å; L169-F171 HydrophobicContact CD2-CE2 3.66Å; L169-F171 HydrophobicContact CD2-CZ 4.02Å; L169-F171 HydrophobicContact CG-CD2 4.43Å; L169-F171 HydrophobicContact CG-CE2 3.67Å; L169-F171 HydrophobicContact CG-CZ 4.23Å; L169-F171 WeakPolarHBondContact O-CD2 3.4Å; F171-V175 HydrophobicContact CB-CG1 4Å; F171-V175 HydrophobicContact CB-CG2 4.19Å; F171-V175 HydrophobicContact CD1-CG1 3.8Å; F171-V175 HydrophobicContact CG-CG1 4.16Å; F171-V181 HydrophobicContact CD1-CG1 4.43Å; F171-V181 HydrophobicContact CD1-CG2 3.61Å; F171-V181 HydrophobicContact CD2-CG1 4.48Å; F171-V181 HydrophobicContact CE1-CG1 4.37Å; F171-V181 HydrophobicContact CE1-CG2 3.59Å; F171-V181 HydrophobicContact CE2-CG1 4.41Å; F171-V181 HydrophobicContact CG-CG1 4.49Å; F171-V181 HydrophobicContact CG-CG2 4.35Å; F171-V181 HydrophobicContact CZ-CG1 4.35Å; F171-V181 HydrophobicContact CZ-CG2 4.32Å; F171-Y200 HydrophobicContact CZ-CE1 4.41Å; F171-L204 HydrophobicContact CE1-CD1 3.83Å; F171-L204 HydrophobicContact CZ-CD1 3.93Å; F171-K206 HydrophobicContact CD1-CD 4.18Å; F171-K206 HydrophobicContact CE1-CD 4.04Å
172	F	95.4	Very high	95.9	Very high	25 Å²	25	40.7 Å²	40.7	11%	0.11	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-96.5	141.4	178.2	-67.9	-93.2	0	0	0	112.2	H170 P174 V175 M178 L180 E182 V219	H170-F172 AromaticContact CE1-CE1 3.65Å; H170-F172 AromaticContact CE1-CZ 3.61Å; H170-F172 AromaticContact ND1-CE2 3.97Å; H170-F172 AromaticContact ND1-CZ 3.67Å; F172-P174 CarbonylContact O-C 3.04Å; F172-V175 WeakPolarHBondContact O-CA 3.26Å; F172-V175 PolarHBondContact O-N 2.88Å; F172-M178 HydrophobicContact CB-CB 3.79Å; F172-M178 HydrophobicContact CB-CE 4.12Å; F172-M178 HydrophobicContact CB-CG 3.78Å; F172-M178 WeakPolarHBondContact O-CB 3.38Å; F172-M178 WeakPolarHBondContact O-CG 3.46Å; F172-L180 HydrophobicContact CD2-CB 4.08Å; F172-L180 HydrophobicContact CD2-CD2 4.25Å; F172-L180 HydrophobicContact CD2-CG 4.23Å; F172-L180 HydrophobicContact CE2-CB 4.28Å; F172-L180 HydrophobicContact CE2-CD2 3.71Å; F172-L180 HydrophobicContact CE2-CG 3.91Å; F172-L180 HydrophobicContact CZ-CD2 4.15Å; F172-E182 HydrophobicContact CE2-CG 3.99Å; F172-E182 HydrophobicContact CZ-CG 4.11Å; F172-E182 WeakPolarHBondContact CZ-OE2 3.43Å; F172-V219 HydrophobicContact CD1-CG1 4.48Å; F172-V219 HydrophobicContact CE1-CB 3.61Å; F172-V219 HydrophobicContact CE1-CG1 3.58Å; F172-V219 HydrophobicContact CE1-CG2 3.92Å; F172-V219 HydrophobicContact CE2-CG2 4.37Å; F172-V219 HydrophobicContact CZ-CB 3.59Å; F172-V219 HydrophobicContact CZ-CG1 4.08Å; F172-V219 HydrophobicContact CZ-CG2 3.53Å
173	N	91.5	Very high	95.9	Very high	69 Å²	69	36.6 Å²	36.6	37%	0.369	18%	0.18	S	C	.	.	S	Bend	trans	-82.1	137.9	175.4	-179.2	51.8	0	0	0	111.5	M42	M42-N173 HydrophobicContact SD-CB 3.9Å
174	P	90.3	Very high	95.9	Very high	53 Å²	53	33.4 Å²	33.4	34%	0.344	17%	0.166	S	C	.	.	S	Bend	cis	-74.1	121.8	-7.6	-15.5	31.7	0	0	0	113.3	F172 M177 M178	F172-P174 CarbonylContact O-C 3.04Å; P174-M177 HydrophobicContact CB-CB 4.42Å; P174-M177 HydrophobicContact CB-CG 4.47Å; P174-M177 WeakPolarHBondContact O-CA 3.34Å; P174-M177 PolarHBondContact O-N 3.04Å; P174-M178 WeakPolarHBondContact O-CG 3.34Å; P174-M178 PolarHBondContact O-N 3.44Å
175	V	93.6	Very high	95.9	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.006	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-41.6	-171.2	-173.5	0	0	0	0	114.2	M42 I46 N49 F171 F172 M177 K206	M42-V175 HydrophobicContact CE-CG2 3.51Å; M42-V175 HydrophobicContact SD-CG2 4.16Å; I46-V175 HydrophobicContact CG1-CG1 3.96Å; I46-V175 HydrophobicContact CG1-CG2 4.39Å; N49-V175 WeakPolarHBondContact ND2-CG1 3.43Å; F171-V175 HydrophobicContact CB-CG1 4Å; F171-V175 HydrophobicContact CB-CG2 4.19Å; F171-V175 HydrophobicContact CD1-CG1 3.8Å; F171-V175 HydrophobicContact CG-CG1 4.16Å; F172-V175 WeakPolarHBondContact O-CA 3.26Å; F172-V175 PolarHBondContact O-N 2.88Å; V175-M177 PolarHBondContact O-N 2.74Å; V175-K206 PolarHBondContact O-NZ 2.68Å
176	P	89.4	Confident	95.8	Very high	34 Å²	34	30.7 Å²	30.7	22%	0.221	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-21.7	177.4	-23.6	35.8	0	0	0	114.2	Q48 V77	Q48-P176 HydrophobicContact CB-CG 4.07Å; V77-P176 HydrophobicContact CG2-CB 4.46Å
177	M	88.4	Confident	95.7	Very high	91 Å²	91	39.2 Å²	39.2	45%	0.448	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-36	-176.2	-65	-58.5	-58.8	0	0	112.7	V77 P174 V175	V77-M177 HydrophobicContact CG2-SD 4.27Å; P174-M177 HydrophobicContact CB-CB 4.42Å; P174-M177 HydrophobicContact CB-CG 4.47Å; P174-M177 WeakPolarHBondContact O-CA 3.34Å; P174-M177 PolarHBondContact O-N 3.04Å; V175-M177 PolarHBondContact O-N 2.74Å
178	M	93.1	Very high	95.6	Very high	74 Å²	74	41.6 Å²	41.6	37%	0.365	21%	0.211	S	C	.	.			trans	-73.6	133	-177.4	-62.3	-54	-73	0	0	111.1	F172 P174 K206	F172-M178 HydrophobicContact CB-CB 3.79Å; F172-M178 HydrophobicContact CB-CE 4.12Å; F172-M178 HydrophobicContact CB-CG 3.78Å; F172-M178 WeakPolarHBondContact O-CB 3.38Å; F172-M178 WeakPolarHBondContact O-CG 3.46Å; P174-M178 WeakPolarHBondContact O-CG 3.34Å; P174-M178 PolarHBondContact O-N 3.44Å; M178-K206 PolarHBondContact O-NZ 2.94Å
179	K	96	Very high	95.6	Very high	157 Å²	157	41.9 Å²	41.9	68%	0.683	21%	0.212	S	C	*	.			trans	-91.6	-17.8	-176.1	-63.2	-179	-178.2	178	0	113.5	K206 T207	K179-K206 CarbonylContact O-C 3.58Å; K179-K206 VanDerWaalsContact O-CA 3.31Å; K179-K206 WeakPolarHBondContact O-CA 3.4Å; K179-K206 VanDerWaalsContact O-CB 3.25Å; K179-K206 WeakPolarHBondContact O-CB 3.37Å; K179-T207 PolarHBondContact O-N 3.23Å
180	L	97.8	Very high	95.6	Very high	48 Å²	48	42.9 Å²	42.9	25%	0.251	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	143	-175.3	-172.8	64.7	0	0	0	111.1	F172 V209 V219	F172-L180 HydrophobicContact CD2-CB 4.08Å; F172-L180 HydrophobicContact CD2-CD2 4.25Å; F172-L180 HydrophobicContact CD2-CG 4.23Å; F172-L180 HydrophobicContact CE2-CB 4.28Å; F172-L180 HydrophobicContact CE2-CD2 3.71Å; F172-L180 HydrophobicContact CE2-CG 3.91Å; F172-L180 HydrophobicContact CZ-CD2 4.15Å; L180-V209 HydrophobicContact CD1-CB 4.27Å; L180-V209 HydrophobicContact CD1-CG1 3.65Å; L180-V209 HydrophobicContact CD1-CG2 3.67Å; L180-V209 HydrophobicContact CG-CG2 4.32Å; L180-V219 HydrophobicContact CD2-CG2 3.66Å
181	V	98.4	Very high	95.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	129	163.4	-175.1	0	0	0	0	108	L169 H170 F171 V201 K206 T207 A208 V209	L169-V181 HydrophobicContact CD1-CG1 3.6Å; L169-V181 HydrophobicContact CG-CG1 4.02Å; H170-V181 WeakPolarHBondContact O-CA 3.42Å; F171-V181 HydrophobicContact CD1-CG1 4.43Å; F171-V181 HydrophobicContact CD1-CG2 3.61Å; F171-V181 HydrophobicContact CD2-CG1 4.48Å; F171-V181 HydrophobicContact CE1-CG1 4.37Å; F171-V181 HydrophobicContact CE1-CG2 3.59Å; F171-V181 HydrophobicContact CE2-CG1 4.41Å; F171-V181 HydrophobicContact CG-CG1 4.49Å; F171-V181 HydrophobicContact CG-CG2 4.35Å; F171-V181 HydrophobicContact CZ-CG1 4.35Å; F171-V181 HydrophobicContact CZ-CG2 4.32Å; V181-V201 HydrophobicContact CB-CG1 3.86Å; V181-V201 HydrophobicContact CB-CG2 4.04Å; V181-V201 HydrophobicContact CG1-CG2 3.91Å; V181-V201 HydrophobicContact CG2-CG1 3.87Å; V181-V201 HydrophobicContact CG2-CG2 4.33Å; V181-K206 HydrophobicContact CG2-CB 4.01Å; V181-K206 HydrophobicContact CG2-CD 3.48Å; V181-K206 VanDerWaalsContact CG2-CD 3.48Å; V181-K206 HydrophobicContact CG2-CG 4.4Å; V181-T207 PolarHBondContact N-O 3.38Å; V181-A208 WeakPolarHBondContact O-CA 3.04Å; V181-V209 PolarHBondContact O-N 3.14Å
182	E	98.4	Very high	95.5	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	122.9	171.2	-73.1	170.9	150.7	0	0	109.2	H170 F172 V184 V209 F217 I218 V219	H170-E182 HydrophobicContact CB-CB 4.17Å; H170-E182 IonicContact CE1-OE2 2.83Å; H170-E182 IonicContact CG-OE2 3.37Å; H170-E182 PolarHBondContact N-O 3.25Å; H170-E182 IonicContact ND1-OE2 2.65Å; H170-E182 PolarHBondContact ND1-OE2 2.86Å; H170-E182 PolarHBondContact O-N 2.98Å; F172-E182 HydrophobicContact CE2-CG 3.99Å; F172-E182 HydrophobicContact CZ-CG 4.11Å; F172-E182 WeakPolarHBondContact CZ-OE2 3.43Å; E182-V184 HydrophobicContact CB-CG2 4.42Å; E182-V209 HydrophobicContact CB-CG2 4.34Å; E182-V209 HydrophobicContact CG-CG2 3.66Å; E182-F217 WeakPolarHBondContact OE2-CB 3.39Å; E182-F217 WeakPolarHBondContact OE2-CD2 3.15Å; E182-I218 WeakPolarHBondContact OE1-CA 3.45Å; E182-I218 VanDerWaalsContact OE1-CB 3.24Å; E182-I218 WeakPolarHBondContact OE1-CB 3.27Å; E182-I218 PolarHBondContact OE1-N 3.46Å; E182-V219 PolarHBondContact OE1-N 2.96Å
183	I	98.4	Very high	95.6	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	112.5	168.9	-49.4	-174.5	0	0	0	107.3	G168 L169 I194 L197 A198 V201 A208 V209 M210 C211	G168-I183 WeakPolarHBondContact O-CA 3.42Å; L169-I183 HydrophobicContact CD1-CD1 4.47Å; L169-I183 HydrophobicContact CD1-CG1 3.94Å; I183-I194 HydrophobicContact CG2-CD1 3.72Å; I183-L197 HydrophobicContact CD1-CB 3.82Å; I183-L197 HydrophobicContact CG2-CB 4.18Å; I183-L197 HydrophobicContact CG2-CD1 4Å; I183-A198 HydrophobicContact CD1-CB 4.21Å; I183-V201 HydrophobicContact CD1-CG2 4.19Å; I183-V201 HydrophobicContact CG1-CG2 4.49Å; I183-A208 HydrophobicContact CD1-CB 3.91Å; I183-A208 HydrophobicContact CG1-CB 4.28Å; I183-V209 PolarHBondContact N-O 2.97Å; I183-M210 HydrophobicContact CB-CE 3.61Å; I183-M210 HydrophobicContact CB-SD 3.69Å; I183-M210 HydrophobicContact CD1-CE 3.43Å; I183-M210 VanDerWaalsContact CD1-CE 3.43Å; I183-M210 HydrophobicContact CD1-SD 4.07Å; I183-M210 HydrophobicContact CG1-CE 3.54Å; I183-M210 HydrophobicContact CG1-SD 4.23Å; I183-M210 HydrophobicContact CG2-SD 4.19Å; I183-C211 PolarHBondContact O-N 3.45Å; I183-C211 VanDerWaalsContact O-N 3.1Å
184	V	98	Very high	95.9	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	112.6	-173.2	-170.3	0	0	0	0	108.5	L153 G168 E182 A186 D213 F217	L153-V184 HydrophobicContact CD1-CG1 4.06Å; L153-V184 HydrophobicContact CD2-CB 3.85Å; L153-V184 HydrophobicContact CD2-CG1 3.67Å; L153-V184 WeakPolarHBondContact CD2-O 3.38Å; G168-V184 PolarHBondContact N-O 2.84Å; G168-V184 PolarHBondContact O-N 3.47Å; E182-V184 HydrophobicContact CB-CG2 4.42Å; V184-A186 PolarHBondContact O-N 3.1Å; V184-D213 HydrophobicContact CG1-CB 4.33Å; V184-F217 HydrophobicContact CB-CD1 4.24Å; V184-F217 HydrophobicContact CB-CE1 4.2Å; V184-F217 HydrophobicContact CG1-CD1 3.61Å; V184-F217 HydrophobicContact CG1-CE1 3.61Å; V184-F217 HydrophobicContact CG1-CG 4.46Å; V184-F217 HydrophobicContact CG1-CZ 4.43Å; V184-F217 HydrophobicContact CG2-CB 4.37Å; V184-F217 HydrophobicContact CG2-CD1 3.58Å; V184-F217 HydrophobicContact CG2-CD2 3.8Å; V184-F217 HydrophobicContact CG2-CE1 3.74Å; V184-F217 HydrophobicContact CG2-CE2 3.92Å; V184-F217 HydrophobicContact CG2-CG 3.63Å; V184-F217 HydrophobicContact CG2-CZ 3.9Å
185	R	97.7	Very high	96.2	Very high	78 Å²	78	51.6 Å²	51.6	29%	0.294	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	114.3	178	-177.8	-176.8	-71.3	-100.9	13	109.7	T189 N191 I194 C211 D213	R185-T189 PolarHBondContact NH1-O 3.08Å; R185-N191 VanDerWaalsContact CZ-OD1 3.29Å; R185-N191 PolarHBondContact NH1-OD1 3.15Å; R185-N191 PolarHBondContact NH2-OD1 3.36Å; R185-I194 HydrophobicContact CB-CD1 4.15Å; R185-I194 HydrophobicContact CG-CD1 4.43Å; R185-I194 HydrophobicContact CG-CG1 4.48Å; R185-I194 VanDerWaalsContact CZ-CG1 3.43Å; R185-C211 PolarHBondContact N-O 2.62Å; R185-D213 PolarHBondContact O-N 2.88Å; R185-D213 VanDerWaalsContact O-N 3.08Å
186	A	96.5	Very high	96.4	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.008	26%	0.263	C	S	.	.			trans	-74	158.2	163.5	0	0	0	0	0	109.7	L153 F166 V184 P188 T189	L153-A186 HydrophobicContact CB-CB 3.98Å; L153-A186 HydrophobicContact CD2-CB 4.08Å; F166-A186 HydrophobicContact CD1-CB 4.44Å; V184-A186 PolarHBondContact O-N 3.1Å; A186-P188 VanDerWaalsContact C-CD 3.48Å; A186-T189 WeakPolarHBondContact CB-OG1 3.18Å; A186-T189 PolarHBondContact N-OG1 3.09Å; A186-T189 VanDerWaalsContact N-OG1 3.08Å; A186-T189 WeakPolarHBondContact O-CB 3.38Å; A186-T189 PolarHBondContact O-N 2.86Å; A186-T189 PolarHBondContact O-OG1 2.85Å; A186-T189 VanDerWaalsContact O-OG1 3.14Å
187	L	95.3	Very high	96.8	Very high	179 Å²	179	50.2 Å²	50.2	94%	0.937	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	-46.3	179.6	-71.6	176.8	0	0	0	114.5	T189	L187-T189 VanDerWaalsContact C-N 3.33Å; L187-T189 PolarHBondContact O-N 3.19Å
188	P	96.7	Very high	97.2	Very high	51 Å²	51	47.5 Å²	47.5	33%	0.331	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-8.7	-179.7	32.3	-36.5	0	0	0	114	K163 E164 A186 S190	K163-P188 HydrophobicContact CB-CB 3.68Å; K163-P188 HydrophobicContact CB-CG 3.47Å; K163-P188 VanDerWaalsContact CB-CG 3.47Å; K163-P188 HydrophobicContact CD-CG 4.1Å; K163-P188 HydrophobicContact CG-CG 4.39Å; E164-P188 VanDerWaalsContact CA-O 3.3Å; E164-P188 WeakPolarHBondContact CA-O 3.44Å; E164-P188 WeakPolarHBondContact CG-O 3.35Å; A186-P188 VanDerWaalsContact C-CD 3.48Å; P188-S190 PolarHBondContact O-N 3.33Å
189	T	98.1	Very high	97.4	Very high	6 Å²	6	50.4 Å²	50.4	4%	0.037	26%	0.255	C	S	.	.			trans	-62.5	125	-172.9	-52.7	0	0	0	0	111.7	F166 A167 R185 A186 L187 T193 I194	F166-T189 WeakPolarHBondContact O-CB 3.33Å; F166-T189 VanDerWaalsContact O-CG2 3.26Å; F166-T189 WeakPolarHBondContact O-CG2 3.4Å; F166-T189 PolarHBondContact O-OG1 3.14Å; A167-T189 HydrophobicContact CB-CG2 4Å; R185-T189 PolarHBondContact NH1-O 3.08Å; A186-T189 WeakPolarHBondContact CB-OG1 3.18Å; A186-T189 PolarHBondContact N-OG1 3.09Å; A186-T189 VanDerWaalsContact N-OG1 3.08Å; A186-T189 WeakPolarHBondContact O-CB 3.38Å; A186-T189 PolarHBondContact O-N 2.86Å; A186-T189 PolarHBondContact O-OG1 2.85Å; A186-T189 VanDerWaalsContact O-OG1 3.14Å; L187-T189 VanDerWaalsContact C-N 3.33Å; L187-T189 PolarHBondContact O-N 3.19Å; T189-T193 HydrophobicContact CG2-CG2 3.72Å; T189-I194 HydrophobicContact CG2-CD1 3.65Å; T189-I194 HydrophobicContact CG2-CG1 3.91Å
190	S	97.8	Very high	97.4	Very high	21 Å²	21	43.2 Å²	43.2	15%	0.147	22%	0.223	C	C	.	.			trans	-71.5	157.8	-179.7	77	0	0	0	0	112.3	E164 P188 Q192 T193 I194	E164-S190 PolarHBondContact O-N 3.47Å; E164-S190 PolarHBondContact O-OG 3.2Å; P188-S190 PolarHBondContact O-N 3.33Å; S190-Q192 PolarHBondContact O-N 3.49Å; S190-Q192 PolarHBondContact OG-N 3.05Å; S190-T193 PolarHBondContact O-N 3.49Å; S190-T193 PolarHBondContact OG-N 2.95Å; S190-T193 VanDerWaalsContact OG-N 3.14Å; S190-T193 PolarHBondContact OG-OG1 2.99Å; S190-I194 PolarHBondContact O-N 3.1Å
191	N	97.5	Very high	97.4	Very high	104 Å²	104	40.9 Å²	40.9	56%	0.556	21%	0.211	S	C	*	.	H	α-helix	trans	-62.4	-35.2	171.9	-70.2	-20.9	0	0	0	112	R185 T193 I194 D195	R185-N191 VanDerWaalsContact CZ-OD1 3.29Å; R185-N191 PolarHBondContact NH1-OD1 3.15Å; R185-N191 PolarHBondContact NH2-OD1 3.36Å; N191-T193 VanDerWaalsContact C-N 3.3Å; N191-T193 PolarHBondContact O-N 3.06Å; N191-I194 PolarHBondContact O-N 2.76Å; N191-D195 WeakPolarHBondContact O-CB 3.46Å; N191-D195 PolarHBondContact O-N 3.11Å
192	Q	96.7	Very high	97.2	Very high	133 Å²	133	47.7 Å²	47.7	62%	0.621	24%	0.243	S	C	*	.	H	α-helix	trans	-59.9	-42.1	177.9	-67.4	159.9	-2.9	0	0	111.4	S190 D195 A196	S190-Q192 PolarHBondContact O-N 3.49Å; S190-Q192 PolarHBondContact OG-N 3.05Å; Q192-D195 PolarHBondContact O-N 3.34Å; Q192-A196 WeakPolarHBondContact O-CB 3.32Å; Q192-A196 PolarHBondContact O-N 3.24Å
193	T	97.8	Very high	97.1	Very high	4 Å²	4	53 Å²	53	3%	0.025	26%	0.263	C	S	.	.	H	α-helix	trans	-61	-48.8	174.2	-60.2	0	0	0	0	111.3	L143 E164 R165 A167 T189 S190 N191 D195 A196 L197	L143-T193 HydrophobicContact CD1-CG2 4.48Å; L143-T193 HydrophobicContact CD2-CG2 3.91Å; E164-T193 PolarHBondContact O-OG1 2.73Å; R165-T193 WeakPolarHBondContact CA-OG1 3.15Å; A167-T193 HydrophobicContact CB-CG2 4.18Å; T189-T193 HydrophobicContact CG2-CG2 3.72Å; S190-T193 PolarHBondContact O-N 3.49Å; S190-T193 PolarHBondContact OG-N 2.95Å; S190-T193 VanDerWaalsContact OG-N 3.14Å; S190-T193 PolarHBondContact OG-OG1 2.99Å; N191-T193 VanDerWaalsContact C-N 3.3Å; N191-T193 PolarHBondContact O-N 3.06Å; T193-D195 PolarHBondContact O-N 3.08Å; T193-A196 PolarHBondContact O-N 3.14Å; T193-L197 HydrophobicContact CG2-CD1 4.01Å; T193-L197 VanDerWaalsContact O-CG 3.26Å; T193-L197 WeakPolarHBondContact O-CG 3.49Å; T193-L197 PolarHBondContact O-N 2.67Å
194	I	97.8	Very high	96.9	Very high	10 Å²	10	53.7 Å²	53.7	5%	0.051	27%	0.266	C	S	.	.	H	α-helix	trans	-63.3	-43	-180	-63.3	-54.4	0	0	0	111.8	A167 I183 R185 T189 S190 N191 A196 L197 A198 M210	A167-I194 HydrophobicContact CB-CD1 4.46Å; I183-I194 HydrophobicContact CG2-CD1 3.72Å; R185-I194 HydrophobicContact CB-CD1 4.15Å; R185-I194 HydrophobicContact CG-CD1 4.43Å; R185-I194 HydrophobicContact CG-CG1 4.48Å; R185-I194 VanDerWaalsContact CZ-CG1 3.43Å; T189-I194 HydrophobicContact CG2-CD1 3.65Å; T189-I194 HydrophobicContact CG2-CG1 3.91Å; S190-I194 PolarHBondContact O-N 3.1Å; N191-I194 PolarHBondContact O-N 2.76Å; I194-A196 PolarHBondContact O-N 3.4Å; I194-L197 PolarHBondContact O-N 2.68Å; I194-A198 WeakPolarHBondContact O-CB 3.45Å; I194-A198 PolarHBondContact O-N 3.44Å; I194-M210 HydrophobicContact CG2-SD 3.76Å
195	D	97.3	Very high	96.7	Very high	90 Å²	90	63 Å²	63	48%	0.481	31%	0.307	S	S	.	.	H	α-helix	trans	-65.3	-39.6	179.8	-66.5	-19.2	0	0	0	111.8	N191 Q192 T193 A198 K199	N191-D195 WeakPolarHBondContact O-CB 3.46Å; N191-D195 PolarHBondContact O-N 3.11Å; Q192-D195 PolarHBondContact O-N 3.34Å; T193-D195 PolarHBondContact O-N 3.08Å; D195-A198 PolarHBondContact O-N 3.24Å; D195-K199 WeakPolarHBondContact O-CG 3.47Å; D195-K199 PolarHBondContact O-N 3.47Å; D195-K199 VanDerWaalsContact O-N 3.12Å
196	A	97.5	Very high	96.7	Very high	7 Å²	7	60.2 Å²	60.2	6%	0.058	30%	0.297	C	S	.	.	H	α-helix	trans	-65.8	-42.5	175.7	0	0	0	0	0	111.8	M29 I31 L143 Q192 T193 I194 K199 Y200	M29-A196 HydrophobicContact CB-CB 3.92Å; I31-A196 HydrophobicContact CD1-CB 4.31Å; L143-A196 HydrophobicContact CD1-CB 3.78Å; Q192-A196 WeakPolarHBondContact O-CB 3.32Å; Q192-A196 PolarHBondContact O-N 3.24Å; T193-A196 PolarHBondContact O-N 3.14Å; I194-A196 PolarHBondContact O-N 3.4Å; A196-K199 PolarHBondContact O-N 2.86Å; A196-Y200 WeakPolarHBondContact O-CB 3.46Å; A196-Y200 PolarHBondContact O-N 3.44Å
197	L	97.8	Very high	96.8	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-67.2	-38.4	176.3	-66	174.4	0	0	0	112.2	L115 L143 V145 A167 L169 I183 T193 I194 Y200 V201	L115-L197 HydrophobicContact CD1-CD2 3.77Å; L143-L197 HydrophobicContact CD1-CD2 3.84Å; L143-L197 HydrophobicContact CD1-CG 3.99Å; V145-L197 HydrophobicContact CG1-CD1 3.76Å; V145-L197 HydrophobicContact CG1-CD2 3.77Å; V145-L197 HydrophobicContact CG1-CG 4.4Å; A167-L197 HydrophobicContact CB-CD1 3.63Å; L169-L197 HydrophobicContact CD2-CD2 4.34Å; I183-L197 HydrophobicContact CD1-CB 3.82Å; I183-L197 HydrophobicContact CG2-CB 4.18Å; I183-L197 HydrophobicContact CG2-CD1 4Å; T193-L197 HydrophobicContact CG2-CD1 4.01Å; T193-L197 VanDerWaalsContact O-CG 3.26Å; T193-L197 WeakPolarHBondContact O-CG 3.49Å; T193-L197 PolarHBondContact O-N 2.67Å; I194-L197 PolarHBondContact O-N 2.68Å; L197-Y200 WeakPolarHBondContact O-CB 3.41Å; L197-Y200 PolarHBondContact O-N 3.1Å; L197-V201 WeakPolarHBondContact O-CG2 3.43Å; L197-V201 PolarHBondContact O-N 2.84Å
198	A	97.6	Very high	96.9	Very high	33 Å²	33	57.4 Å²	57.4	27%	0.273	29%	0.29	S	S	.	.	H	α-helix	trans	-60.5	-47.3	175.4	0	0	0	0	0	111.4	I183 I194 D195 Y200 V201 E202	I183-A198 HydrophobicContact CD1-CB 4.21Å; I194-A198 WeakPolarHBondContact O-CB 3.45Å; I194-A198 PolarHBondContact O-N 3.44Å; D195-A198 PolarHBondContact O-N 3.24Å; A198-Y200 VanDerWaalsContact C-N 3.32Å; A198-Y200 PolarHBondContact O-N 3.33Å; A198-V201 PolarHBondContact O-N 3.36Å; A198-E202 PolarHBondContact O-N 2.99Å
199	K	96.4	Very high	97	Very high	135 Å²	135	57 Å²	57	59%	0.587	29%	0.287	S	S	*	.	H	α-helix	trans	-61.5	-39.4	174.6	-71.4	170.1	-176.6	170.6	0	112.3	D195 A196 E202 R203	D195-K199 WeakPolarHBondContact O-CG 3.47Å; D195-K199 PolarHBondContact O-N 3.47Å; D195-K199 VanDerWaalsContact O-N 3.12Å; A196-K199 PolarHBondContact O-N 2.86Å; K199-E202 PolarHBondContact O-N 2.86Å; K199-R203 WeakPolarHBondContact O-CB 3.36Å; K199-R203 PolarHBondContact O-N 2.91Å
200	Y	96.5	Very high	96.9	Very high	6 Å²	6	61 Å²	61	2%	0.024	31%	0.307	C	S	.	.	H	α-helix	trans	-60.9	-49.8	175.5	173.2	-108.3	0	0	0	111.7	I31 V34 L115 I117 L169 F171 A196 L197 A198 E202 R203 L204	I31-Y200 HydrophobicContact CB-CD2 4.33Å; I31-Y200 HydrophobicContact CD1-CD2 4.41Å; I31-Y200 HydrophobicContact CD1-CG 4.21Å; I31-Y200 HydrophobicContact CG2-CD2 3.81Å; I31-Y200 HydrophobicContact CG2-CE2 4.15Å; V34-Y200 HydrophobicContact CG2-CE2 3.76Å; L115-Y200 HydrophobicContact CD2-CD1 3.73Å; L115-Y200 HydrophobicContact CD2-CD2 4.1Å; L115-Y200 HydrophobicContact CD2-CE1 3.57Å; L115-Y200 HydrophobicContact CD2-CE2 3.99Å; L115-Y200 HydrophobicContact CD2-CG 3.99Å; I117-Y200 HydrophobicContact CD1-CE1 4.18Å; L169-Y200 HydrophobicContact CD2-CD1 4.11Å; L169-Y200 HydrophobicContact CD2-CE1 3.98Å; F171-Y200 HydrophobicContact CZ-CE1 4.41Å; A196-Y200 WeakPolarHBondContact O-CB 3.46Å; A196-Y200 PolarHBondContact O-N 3.44Å; L197-Y200 WeakPolarHBondContact O-CB 3.41Å; L197-Y200 PolarHBondContact O-N 3.1Å; A198-Y200 VanDerWaalsContact C-N 3.32Å; A198-Y200 PolarHBondContact O-N 3.33Å; Y200-E202 VanDerWaalsContact C-N 3.34Å; Y200-E202 PolarHBondContact O-N 2.98Å; Y200-R203 WeakPolarHBondContact O-CB 3.26Å; Y200-R203 PolarHBondContact O-N 2.72Å; Y200-R203 VanDerWaalsContact O-N 3.16Å; Y200-L204 HydrophobicContact CD1-CD1 4.28Å; Y200-L204 HydrophobicContact CE1-CD1 3.63Å; Y200-L204 HydrophobicContact CE1-CG 4.26Å; Y200-L204 HydrophobicContact CE2-CD1 4.48Å; Y200-L204 HydrophobicContact CE2-CD2 4.17Å; Y200-L204 HydrophobicContact CE2-CG 4.37Å; Y200-L204 WeakPolarHBondContact O-CG 3.34Å; Y200-L204 PolarHBondContact O-N 3.45Å; Y200-L204 VanDerWaalsContact O-N 3.09Å
201	V	97	Very high	96.9	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-62.2	-41.2	179	173.5	0	0	0	0	111.6	L169 V181 I183 L197 A198 R203 L204 K205 K206 A208	L169-V201 HydrophobicContact CD1-CG2 3.79Å; V181-V201 HydrophobicContact CB-CG1 3.86Å; V181-V201 HydrophobicContact CB-CG2 4.04Å; V181-V201 HydrophobicContact CG1-CG2 3.91Å; V181-V201 HydrophobicContact CG2-CG1 3.87Å; V181-V201 HydrophobicContact CG2-CG2 4.33Å; I183-V201 HydrophobicContact CD1-CG2 4.19Å; I183-V201 HydrophobicContact CG1-CG2 4.49Å; L197-V201 WeakPolarHBondContact O-CG2 3.43Å; L197-V201 PolarHBondContact O-N 2.84Å; A198-V201 PolarHBondContact O-N 3.36Å; V201-R203 VanDerWaalsContact C-N 3.32Å; V201-R203 PolarHBondContact O-N 2.84Å; V201-L204 WeakPolarHBondContact O-CB 3.24Å; V201-L204 PolarHBondContact O-N 3.1Å; V201-L204 VanDerWaalsContact O-N 3.11Å; V201-K205 PolarHBondContact O-N 3.49Å; V201-K206 HydrophobicContact CG1-CB 3.79Å; V201-K206 PolarHBondContact O-N 3.14Å; V201-A208 HydrophobicContact CB-CB 4Å; V201-A208 HydrophobicContact CG1-CB 3.71Å; V201-A208 HydrophobicContact CG2-CB 4.5Å
202	E	95.3	Very high	96.8	Very high	143 Å²	143	65.9 Å²	65.9	67%	0.668	32%	0.317	S	S	*	.	H	α-helix	trans	-59	-43.8	174.3	-177.5	178.9	-163.5	0	0	111.4	A198 K199 Y200 L204 K205	A198-E202 PolarHBondContact O-N 2.99Å; K199-E202 PolarHBondContact O-N 2.86Å; Y200-E202 VanDerWaalsContact C-N 3.34Å; Y200-E202 PolarHBondContact O-N 2.98Å; E202-L204 PolarHBondContact O-N 3.28Å; E202-K205 WeakPolarHBondContact O-CA 3.3Å; E202-K205 PolarHBondContact O-N 3.03Å
203	R	94.8	Very high	96.6	Very high	112 Å²	112	61.8 Å²	61.8	42%	0.423	30%	0.299	S	S	.	.	H	α-helix	trans	-63.4	-29.6	176.2	-170.9	178.2	64.3	-173.1	0.8	113	I31 K199 Y200 V201 K205	I31-R203 PolarHBondContact O-NH1 2.83Å; I31-R203 PolarHBondContact O-NH2 2.92Å; K199-R203 WeakPolarHBondContact O-CB 3.36Å; K199-R203 PolarHBondContact O-N 2.91Å; Y200-R203 WeakPolarHBondContact O-CB 3.26Å; Y200-R203 PolarHBondContact O-N 2.72Å; Y200-R203 VanDerWaalsContact O-N 3.16Å; V201-R203 VanDerWaalsContact C-N 3.32Å; V201-R203 PolarHBondContact O-N 2.84Å; R203-K205 PolarHBondContact O-N 3.06Å
204	L	94.6	Very high	96.3	Very high	14 Å²	14	64.1 Å²	64.1	7%	0.073	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-0.3	170.5	-59.3	-175.2	0	0	0	113.3	N49 C51 F171 Y200 V201 E202 K206	N49-L204 HydrophobicContact CB-CD1 4.47Å; N49-L204 HydrophobicContact CB-CD2 4.04Å; C51-L204 WeakPolarHBondContact SG-CD2 3.4Å; F171-L204 HydrophobicContact CE1-CD1 3.83Å; F171-L204 HydrophobicContact CZ-CD1 3.93Å; Y200-L204 HydrophobicContact CD1-CD1 4.28Å; Y200-L204 HydrophobicContact CE1-CD1 3.63Å; Y200-L204 HydrophobicContact CE1-CG 4.26Å; Y200-L204 HydrophobicContact CE2-CD1 4.48Å; Y200-L204 HydrophobicContact CE2-CD2 4.17Å; Y200-L204 HydrophobicContact CE2-CG 4.37Å; Y200-L204 WeakPolarHBondContact O-CG 3.34Å; Y200-L204 PolarHBondContact O-N 3.45Å; Y200-L204 VanDerWaalsContact O-N 3.09Å; V201-L204 WeakPolarHBondContact O-CB 3.24Å; V201-L204 PolarHBondContact O-N 3.1Å; V201-L204 VanDerWaalsContact O-N 3.11Å; E202-L204 PolarHBondContact O-N 3.28Å; L204-K206 HydrophobicContact CB-CG 4.26Å; L204-K206 PolarHBondContact O-N 3.08Å
205	K	94.9	Very high	96	Very high	196 Å²	196	65 Å²	65	85%	0.852	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	35.1	-173.8	-54.1	-179	179.5	-178.1	0	112.2	V201 E202 R203	V201-K205 PolarHBondContact O-N 3.49Å; E202-K205 WeakPolarHBondContact O-CA 3.3Å; E202-K205 PolarHBondContact O-N 3.03Å; R203-K205 PolarHBondContact O-N 3.06Å
206	K	97.1	Very high	95.8	Very high	20 Å²	20	60.8 Å²	60.8	9%	0.087	30%	0.298	C	S	.	.			trans	-111.3	162.7	174.4	-69.3	-171.1	-170.5	-59.9	0	109.7	N49 F171 V175 M178 K179 V181 V201 L204	N49-K206 WeakPolarHBondContact OD1-CE 3.43Å; N49-K206 PolarHBondContact OD1-NZ 3.22Å; F171-K206 HydrophobicContact CD1-CD 4.18Å; F171-K206 HydrophobicContact CE1-CD 4.04Å; V175-K206 PolarHBondContact O-NZ 2.68Å; M178-K206 PolarHBondContact O-NZ 2.94Å; K179-K206 CarbonylContact O-C 3.58Å; K179-K206 VanDerWaalsContact O-CA 3.31Å; K179-K206 WeakPolarHBondContact O-CA 3.4Å; K179-K206 VanDerWaalsContact O-CB 3.25Å; K179-K206 WeakPolarHBondContact O-CB 3.37Å; V181-K206 HydrophobicContact CG2-CB 4.01Å; V181-K206 HydrophobicContact CG2-CD 3.48Å; V181-K206 VanDerWaalsContact CG2-CD 3.48Å; V181-K206 HydrophobicContact CG2-CG 4.4Å; V201-K206 HydrophobicContact CG1-CB 3.79Å; V201-K206 PolarHBondContact O-N 3.14Å; L204-K206 HydrophobicContact CB-CG 4.26Å; L204-K206 PolarHBondContact O-N 3.08Å
207	T	98.1	Very high	95.6	Very high	87 Å²	87	60.8 Å²	60.8	53%	0.534	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	120.4	176.5	-56.6	0	0	0	0	109.1	K179 V181	K179-T207 PolarHBondContact O-N 3.23Å; V181-T207 PolarHBondContact N-O 3.38Å
208	A	98	Very high	95.6	Very high	33 Å²	33	63.6 Å²	63.6	27%	0.273	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	136.7	173.4	0	0	0	0	0	110.6	V181 I183 V201 M210	V181-A208 WeakPolarHBondContact O-CA 3.04Å; I183-A208 HydrophobicContact CD1-CB 3.91Å; I183-A208 HydrophobicContact CG1-CB 4.28Å; V201-A208 HydrophobicContact CB-CB 4Å; V201-A208 HydrophobicContact CG1-CB 3.71Å; V201-A208 HydrophobicContact CG2-CB 4.5Å; A208-M210 HydrophobicContact CB-CE 3.61Å
209	V	98.3	Very high	95.5	Very high	43 Å²	43	63.6 Å²	63.6	26%	0.261	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	144.5	166.5	-64.7	0	0	0	0	109.6	L180 V181 E182 I183 I218	L180-V209 HydrophobicContact CD1-CB 4.27Å; L180-V209 HydrophobicContact CD1-CG1 3.65Å; L180-V209 HydrophobicContact CD1-CG2 3.67Å; L180-V209 HydrophobicContact CG-CG2 4.32Å; V181-V209 PolarHBondContact O-N 3.14Å; E182-V209 HydrophobicContact CB-CG2 4.34Å; E182-V209 HydrophobicContact CG-CG2 3.66Å; I183-V209 PolarHBondContact N-O 2.97Å; V209-I218 HydrophobicContact CB-CD1 4.17Å; V209-I218 HydrophobicContact CG2-CD1 3.82Å
210	M	97.2	Very high	95.4	Very high	91 Å²	91	58.5 Å²	58.5	45%	0.448	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	135.4	-175.1	-55.7	-55.7	101.9	0	0	110.6	I183 I194 A208	I183-M210 HydrophobicContact CB-CE 3.61Å; I183-M210 HydrophobicContact CB-SD 3.69Å; I183-M210 HydrophobicContact CD1-CE 3.43Å; I183-M210 VanDerWaalsContact CD1-CE 3.43Å; I183-M210 HydrophobicContact CD1-SD 4.07Å; I183-M210 HydrophobicContact CG1-CE 3.54Å; I183-M210 HydrophobicContact CG1-SD 4.23Å; I183-M210 HydrophobicContact CG2-SD 4.19Å; I194-M210 HydrophobicContact CG2-SD 3.76Å; A208-M210 HydrophobicContact CB-CE 3.61Å
211	C	95.8	Very high	95.4	Very high	22 Å²	22	61.1 Å²	61.1	15%	0.149	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	168	165.7	69.7	0	0	0	0	111.6	I183 R185 I218	I183-C211 PolarHBondContact O-N 3.45Å; I183-C211 VanDerWaalsContact O-N 3.1Å; R185-C211 PolarHBondContact N-O 2.62Å; C211-I218 HydrophobicContact CB-CD1 3.91Å; C211-I218 HydrophobicContact CB-CG1 3.65Å
212	R	95.4	Very high	95.3	Very high	204 Å²	204	66.9 Å²	66.9	77%	0.77	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.9	163.2	167.6	-64.1	-179.7	-178.9	174	-0.2	109.5	T214	R212-T214 PolarHBondContact O-N 2.93Å
213	D	94.1	Very high	95.3	Very high	47 Å²	47	63.2 Å²	63.2	25%	0.251	31%	0.311	S	S	.	.	S	Bend	trans	-59.7	102.3	166.9	-172.9	21.2	0	0	0	110	L153 S154 V184 R185	L153-D213 HydrophobicContact CB-CB 4.28Å; L153-D213 WeakPolarHBondContact CB-OD2 3.03Å; L153-D213 PolarHBondContact N-OD1 3.27Å; L153-D213 PolarHBondContact N-OD2 2.92Å; S154-D213 PolarHBondContact N-OD2 2.87Å; S154-D213 VanDerWaalsContact N-OD2 3.11Å; V184-D213 HydrophobicContact CG1-CB 4.33Å; R185-D213 PolarHBondContact O-N 2.88Å; R185-D213 VanDerWaalsContact O-N 3.08Å
214	T	91.7	Very high	95.4	Very high	54 Å²	54	58.3 Å²	58.3	33%	0.331	29%	0.294	S	S	.	.			trans	-143.2	149.9	178.2	-168.2	0	0	0	0	107.9	R212 G216 F217	R212-T214 PolarHBondContact O-N 2.93Å; T214-G216 PolarHBondContact O-N 2.85Å; T214-F217 VanDerWaalsContact CG2-O 3.25Å; T214-F217 WeakPolarHBondContact CG2-O 3.44Å; T214-F217 WeakPolarHBondContact O-CD1 3.49Å; T214-F217 PolarHBondContact O-N 3.33Å
215	P	90.3	Very high	95.4	Very high	28 Å²	28	58.5 Å²	58.5	18%	0.182	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	117.1	-176.4	-27.4	35.1	0	0	0	112.6	F217 R221 W277 F281	P215-F217 PolarHBondContact O-N 2.89Å; P215-R221 WeakPolarHBondContact O-CB 3.2Å; P215-R221 WeakPolarHBondContact O-CD 3.37Å; P215-W277 HydrophobicContact CB-CD2 4.12Å; P215-W277 HydrophobicContact CB-CG 4.07Å; P215-W277 HydrophobicContact CB-CZ2 4.44Å; P215-F281 HydrophobicContact CG-CD2 4.3Å; P215-F281 HydrophobicContact CG-CE2 3.44Å; P215-F281 VanDerWaalsContact CG-CE2 3.44Å; P215-F281 HydrophobicContact CG-CZ 4Å
216	G	92.6	Very high	95.5	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.01	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	70	13.8	-179.5	0	0	0	0	0	115.7	T214 I218 N220 R221	T214-G216 PolarHBondContact O-N 2.85Å; G216-I218 PolarHBondContact O-N 3.46Å; G216-I218 VanDerWaalsContact O-N 3.13Å; G216-N220 CarbonylContact O-C 3.58Å; G216-N220 WeakPolarHBondContact O-CA 3.34Å; G216-N220 WeakPolarHBondContact O-CB 3.46Å; G216-N220 PolarHBondContact O-N 3.11Å; G216-N220 VanDerWaalsContact O-N 3.17Å; G216-R221 PolarHBondContact O-N 3.31Å
217	F	95.1	Very high	95.6	Very high	8 Å²	8	51.1 Å²	51.1	4%	0.035	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.2	-111.5	170.2	-47.7	-37.9	0	0	0	113.2	T148 L153 H170 E182 V184 T214 P215 R221	T148-F217 HydrophobicContact CG2-CZ 4.32Å; T148-F217 VanDerWaalsContact O-CE2 3.27Å; T148-F217 WeakPolarHBondContact O-CE2 3.41Å; L153-F217 HydrophobicContact CD1-CE1 3.89Å; L153-F217 HydrophobicContact CD1-CZ 4.02Å; H170-F217 HydrophobicContact CB-CD2 4.16Å; H170-F217 HydrophobicContact CB-CE2 3.97Å; H170-F217 AromaticContact CG-CE2 3.99Å; H170-F217 AromaticContact ND1-CD2 3.74Å; E182-F217 WeakPolarHBondContact OE2-CB 3.39Å; E182-F217 WeakPolarHBondContact OE2-CD2 3.15Å; V184-F217 HydrophobicContact CB-CD1 4.24Å; V184-F217 HydrophobicContact CB-CE1 4.2Å; V184-F217 HydrophobicContact CG1-CD1 3.61Å; V184-F217 HydrophobicContact CG1-CE1 3.61Å; V184-F217 HydrophobicContact CG1-CG 4.46Å; V184-F217 HydrophobicContact CG1-CZ 4.43Å; V184-F217 HydrophobicContact CG2-CB 4.37Å; V184-F217 HydrophobicContact CG2-CD1 3.58Å; V184-F217 HydrophobicContact CG2-CD2 3.8Å; V184-F217 HydrophobicContact CG2-CE1 3.74Å; V184-F217 HydrophobicContact CG2-CE2 3.92Å; V184-F217 HydrophobicContact CG2-CG 3.63Å; V184-F217 HydrophobicContact CG2-CZ 3.9Å; T214-F217 VanDerWaalsContact CG2-O 3.25Å; T214-F217 WeakPolarHBondContact CG2-O 3.44Å; T214-F217 WeakPolarHBondContact O-CD1 3.49Å; T214-F217 PolarHBondContact O-N 3.33Å; P215-F217 PolarHBondContact O-N 2.89Å; F217-R221 WeakPolarHBondContact O-CB 3.3Å
218	I	96.4	Very high	95.6	Very high	59 Å²	59	47 Å²	47	30%	0.303	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-61.6	176.4	-51.9	171.9	0	0	0	109.3	E182 V209 C211 G216 R221 L222	E182-I218 WeakPolarHBondContact OE1-CA 3.45Å; E182-I218 VanDerWaalsContact OE1-CB 3.24Å; E182-I218 WeakPolarHBondContact OE1-CB 3.27Å; E182-I218 PolarHBondContact OE1-N 3.46Å; V209-I218 HydrophobicContact CB-CD1 4.17Å; V209-I218 HydrophobicContact CG2-CD1 3.82Å; C211-I218 HydrophobicContact CB-CD1 3.91Å; C211-I218 HydrophobicContact CB-CG1 3.65Å; G216-I218 PolarHBondContact O-N 3.46Å; G216-I218 VanDerWaalsContact O-N 3.13Å; I218-R221 PolarHBondContact O-N 2.99Å; I218-L222 HydrophobicContact CG2-CD1 4.27Å; I218-L222 WeakPolarHBondContact O-CG 3.46Å; I218-L222 PolarHBondContact O-N 3.31Å; I218-L222 VanDerWaalsContact O-N 3.14Å
219	V	95.9	Very high	95.6	Very high	33 Å²	33	49 Å²	49	20%	0.2	25%	0.254	C	S	.	.	H	α-helix	trans	-67	-51	-169.7	174.5	0	0	0	0	110.9	F172 L180 E182 R221 L222 L223	F172-V219 HydrophobicContact CD1-CG1 4.48Å; F172-V219 HydrophobicContact CE1-CB 3.61Å; F172-V219 HydrophobicContact CE1-CG1 3.58Å; F172-V219 HydrophobicContact CE1-CG2 3.92Å; F172-V219 HydrophobicContact CE2-CG2 4.37Å; F172-V219 HydrophobicContact CZ-CB 3.59Å; F172-V219 HydrophobicContact CZ-CG1 4.08Å; F172-V219 HydrophobicContact CZ-CG2 3.53Å; L180-V219 HydrophobicContact CD2-CG2 3.66Å; E182-V219 PolarHBondContact OE1-N 2.96Å; V219-R221 VanDerWaalsContact C-N 3.33Å; V219-R221 PolarHBondContact O-N 3.22Å; V219-L222 PolarHBondContact O-N 3.19Å; V219-L223 HydrophobicContact CG1-CD1 3.45Å; V219-L223 VanDerWaalsContact CG1-CD1 3.45Å; V219-L223 HydrophobicContact CG1-CG 4.03Å; V219-L223 WeakPolarHBondContact O-CB 3.39Å; V219-L223 WeakPolarHBondContact O-CG 3.33Å; V219-L223 PolarHBondContact O-N 3.34Å
220	N	95.2	Very high	95.6	Very high	28 Å²	28	47.2 Å²	47.2	15%	0.15	24%	0.244	C	C	.	.	H	α-helix	trans	-69.3	-36.1	-179.2	-66.1	-17.8	0	0	0	110.8	G216 L222 L223 V224 W277	G216-N220 CarbonylContact O-C 3.58Å; G216-N220 WeakPolarHBondContact O-CA 3.34Å; G216-N220 WeakPolarHBondContact O-CB 3.46Å; G216-N220 PolarHBondContact O-N 3.11Å; G216-N220 VanDerWaalsContact O-N 3.17Å; N220-L222 PolarHBondContact O-N 3.31Å; N220-L223 PolarHBondContact O-N 3.11Å; N220-V224 HydrophobicContact CB-CG2 4.39Å; N220-V224 WeakPolarHBondContact O-CB 3.47Å; N220-V224 PolarHBondContact O-N 2.87Å; N220-W277 HydrophobicContact CB-CH2 4.4Å; N220-W277 WeakPolarHBondContact O-CH2 3.22Å
221	R	95.5	Very high	95.6	Very high	61 Å²	61	42.9 Å²	42.9	23%	0.23	22%	0.222	C	C	.	.	H	α-helix	trans	-57.4	-30.6	175.6	-175.1	70.9	-174.2	112.1	-20.8	112.5	P215 G216 F217 I218 V219 P225	P215-R221 WeakPolarHBondContact O-CB 3.2Å; P215-R221 WeakPolarHBondContact O-CD 3.37Å; G216-R221 PolarHBondContact O-N 3.31Å; F217-R221 WeakPolarHBondContact O-CB 3.3Å; I218-R221 PolarHBondContact O-N 2.99Å; V219-R221 VanDerWaalsContact C-N 3.33Å; V219-R221 PolarHBondContact O-N 3.22Å; R221-P225 WeakPolarHBondContact O-CD 3.35Å; R221-P225 VanDerWaalsContact O-CG 3.24Å; R221-P225 WeakPolarHBondContact O-CG 3.4Å
222	L	95.5	Very high	95.7	Very high	120 Å²	120	43.5 Å²	43.5	63%	0.628	22%	0.222	S	C	*	.	H	α-helix	trans	-92.1	-47.3	176.3	-68.2	170.8	0	0	0	112.5	I218 V219 N220 A226	I218-L222 HydrophobicContact CG2-CD1 4.27Å; I218-L222 WeakPolarHBondContact O-CG 3.46Å; I218-L222 PolarHBondContact O-N 3.31Å; I218-L222 VanDerWaalsContact O-N 3.14Å; V219-L222 PolarHBondContact O-N 3.19Å; N220-L222 PolarHBondContact O-N 3.31Å; L222-A226 VanDerWaalsContact O-CB 3.28Å; L222-A226 WeakPolarHBondContact O-CB 3.47Å; L222-A226 PolarHBondContact O-N 2.92Å
223	L	95.2	Very high	95.9	Very high	66 Å²	66	36.5 Å²	36.5	35%	0.346	20%	0.199	S	C	.	.	H	α-helix	trans	-70.3	-42.3	-173.7	-72.9	-176.9	0	0	0	113.3	V219 N220 A226 G227 L261	V219-L223 HydrophobicContact CG1-CD1 3.45Å; V219-L223 VanDerWaalsContact CG1-CD1 3.45Å; V219-L223 HydrophobicContact CG1-CG 4.03Å; V219-L223 WeakPolarHBondContact O-CB 3.39Å; V219-L223 WeakPolarHBondContact O-CG 3.33Å; V219-L223 PolarHBondContact O-N 3.34Å; N220-L223 PolarHBondContact O-N 3.11Å; L223-A226 PolarHBondContact O-N 3.4Å; L223-G227 PolarHBondContact O-N 3.12Å; L223-L261 HydrophobicContact CD1-CD2 4.42Å
224	V	96.1	Very high	96.1	Very high	10 Å²	10	35.2 Å²	35.2	6%	0.061	20%	0.195	C	C	.	.	H	α-helix	trans	-66.3	-50.2	-176.5	173.2	0	0	0	0	110.6	N220 A226 G227 M228 I273 I274 W277	N220-V224 HydrophobicContact CB-CG2 4.39Å; N220-V224 WeakPolarHBondContact O-CB 3.47Å; N220-V224 PolarHBondContact O-N 2.87Å; V224-A226 VanDerWaalsContact C-N 3.31Å; V224-A226 PolarHBondContact O-N 3.21Å; V224-G227 PolarHBondContact O-N 2.88Å; V224-M228 HydrophobicContact CG1-CG 4.41Å; V224-M228 WeakPolarHBondContact O-CG 3.46Å; V224-M228 PolarHBondContact O-N 2.96Å; V224-I273 HydrophobicContact CG1-CG2 4.28Å; V224-I273 HydrophobicContact CG2-CG2 4.25Å; V224-I274 HydrophobicContact CG1-CD1 4.17Å; V224-W277 HydrophobicContact CB-CH2 3.75Å; V224-W277 HydrophobicContact CB-CZ3 3.64Å; V224-W277 HydrophobicContact CG1-CE3 4.33Å; V224-W277 HydrophobicContact CG1-CH2 4.13Å; V224-W277 HydrophobicContact CG1-CZ3 3.67Å; V224-W277 HydrophobicContact CG2-CH2 4.03Å; V224-W277 HydrophobicContact CG2-CZ3 4.39Å
225	P	96	Very high	96.3	Very high	17 Å²	17	35.8 Å²	35.8	11%	0.11	19%	0.194	C	C	.	.	H	α-helix	trans	-64.3	-33.9	177.1	-24.4	38.5	0	0	0	113.3	R221 M228 E229 W277 I286 F287	R221-P225 WeakPolarHBondContact O-CD 3.35Å; R221-P225 VanDerWaalsContact O-CG 3.24Å; R221-P225 WeakPolarHBondContact O-CG 3.4Å; P225-M228 PolarHBondContact O-N 3.5Å; P225-E229 PolarHBondContact O-N 3.31Å; P225-W277 HydrophobicContact CG-CZ3 4.11Å; P225-I286 HydrophobicContact CB-CB 4.37Å; P225-I286 HydrophobicContact CB-CG1 4.48Å; P225-F287 HydrophobicContact CG-CE1 4.45Å
226	A	96.9	Very high	96.6	Very high	58 Å²	58	40.9 Å²	40.9	48%	0.479	21%	0.209	S	C	.	.	H	α-helix	trans	-63.9	-42.3	173.7	0	0	0	0	0	112	L222 L223 V224 E229 A230	L222-A226 VanDerWaalsContact O-CB 3.28Å; L222-A226 WeakPolarHBondContact O-CB 3.47Å; L222-A226 PolarHBondContact O-N 2.92Å; L223-A226 PolarHBondContact O-N 3.4Å; V224-A226 VanDerWaalsContact C-N 3.31Å; V224-A226 PolarHBondContact O-N 3.21Å; A226-E229 PolarHBondContact O-N 3.43Å; A226-A230 PolarHBondContact O-N 2.9Å
227	G	98.1	Very high	96.8	Very high	3 Å²	3	43.7 Å²	43.7	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-66	-38.1	173.4	0	0	0	0	0	112.8	L223 V224 E229 A230 I231	L223-G227 PolarHBondContact O-N 3.12Å; V224-G227 PolarHBondContact O-N 2.88Å; G227-E229 VanDerWaalsContact C-N 3.33Å; G227-E229 PolarHBondContact O-N 3.01Å; G227-A230 WeakPolarHBondContact O-CB 3.41Å; G227-A230 PolarHBondContact O-N 3.44Å; G227-I231 WeakPolarHBondContact O-CG1 3.28Å; G227-I231 PolarHBondContact O-N 3.04Å
228	M	98.2	Very high	97	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.4	-38.8	172.5	-67.3	-55.5	-59.6	0	0	111.9	V224 P225 I231 R232 F262 I274 L293	V224-M228 HydrophobicContact CG1-CG 4.41Å; V224-M228 WeakPolarHBondContact O-CG 3.46Å; V224-M228 PolarHBondContact O-N 2.96Å; P225-M228 PolarHBondContact O-N 3.5Å; M228-I231 PolarHBondContact O-N 3.31Å; M228-I231 HydrophobicContact SD-CD1 4.11Å; M228-R232 WeakPolarHBondContact O-CG 3.36Å; M228-R232 PolarHBondContact O-N 3.05Å; M228-F262 HydrophobicContact SD-CE2 4.07Å; M228-I274 HydrophobicContact CE-CG1 4.14Å; M228-I274 HydrophobicContact CE-CG2 4.4Å; M228-I274 HydrophobicContact CG-CD1 3.84Å; M228-I274 HydrophobicContact CG-CG1 3.92Å; M228-I274 HydrophobicContact SD-CB 4.32Å; M228-I274 HydrophobicContact SD-CG1 4.07Å; M228-I274 HydrophobicContact SD-CG2 4.25Å; M228-L293 HydrophobicContact CE-CD2 4.23Å; M228-L293 HydrophobicContact SD-CD2 3.97Å
229	E	97.9	Very high	97.1	Very high	75 Å²	75	47.1 Å²	47.1	35%	0.35	26%	0.263	S	S	.	.	H	α-helix	trans	-67.7	-36.2	174.6	-174.4	53.4	-153	0	0	112.4	P225 A226 G227 I231 R232 L233 R236	P225-E229 PolarHBondContact O-N 3.31Å; A226-E229 PolarHBondContact O-N 3.43Å; G227-E229 VanDerWaalsContact C-N 3.33Å; G227-E229 PolarHBondContact O-N 3.01Å; E229-I231 VanDerWaalsContact C-N 3.32Å; E229-I231 PolarHBondContact O-N 3.44Å; E229-R232 PolarHBondContact O-N 2.76Å; E229-R232 IonicContact OE2-NH1 2.72Å; E229-L233 WeakPolarHBondContact O-CG 3.48Å; E229-L233 PolarHBondContact O-N 3.21Å; E229-R236 IonicContact OE1-CZ 3.79Å; E229-R236 IonicContact OE1-NH1 2.76Å; E229-R236 IonicContact OE1-NH2 3.05Å; E229-R236 PolarHBondContact OE1-NH2 3.14Å; E229-R236 VanDerWaalsContact OE1-NH2 3.12Å
230	A	98.4	Very high	97.2	Very high	6 Å²	6	47.7 Å²	47.7	5%	0.05	27%	0.269	C	S	.	.	H	α-helix	trans	-59.1	-44.2	171.3	0	0	0	0	0	111.6	A226 G227 R232 L233 A234 I244 P258 F259	A226-A230 PolarHBondContact O-N 2.9Å; G227-A230 WeakPolarHBondContact O-CB 3.41Å; G227-A230 PolarHBondContact O-N 3.44Å; A230-R232 VanDerWaalsContact C-N 3.33Å; A230-R232 PolarHBondContact O-N 3.08Å; A230-L233 WeakPolarHBondContact O-CB 3.46Å; A230-L233 PolarHBondContact O-N 2.92Å; A230-A234 PolarHBondContact O-N 3.32Å; A230-A234 VanDerWaalsContact O-N 3.15Å; A230-I244 HydrophobicContact CB-CG2 3.94Å; A230-P258 HydrophobicContact CB-CB 3.62Å; A230-P258 HydrophobicContact CB-CG 3.44Å; A230-P258 VanDerWaalsContact CB-CG 3.44Å; A230-F259 HydrophobicContact CB-CE2 4.07Å; A230-F259 HydrophobicContact CB-CZ 4.3Å; A230-F259 VanDerWaalsContact O-CZ 3.25Å; A230-F259 WeakPolarHBondContact O-CZ 3.28Å
231	I	98.3	Very high	97.3	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-60	-44.3	174.9	-65.4	167.4	0	0	0	110.6	G227 M228 E229 L233 A234 E235 F259 F262 S290 M292 L293 F310	G227-I231 WeakPolarHBondContact O-CG1 3.28Å; G227-I231 PolarHBondContact O-N 3.04Å; M228-I231 PolarHBondContact O-N 3.31Å; M228-I231 HydrophobicContact SD-CD1 4.11Å; E229-I231 VanDerWaalsContact C-N 3.32Å; E229-I231 PolarHBondContact O-N 3.44Å; I231-L233 PolarHBondContact O-N 3.28Å; I231-A234 PolarHBondContact O-N 3.19Å; I231-E235 HydrophobicContact CG2-CG 4.32Å; I231-E235 WeakPolarHBondContact O-CG 3.32Å; I231-E235 PolarHBondContact O-N 3.39Å; I231-F259 HydrophobicContact CB-CE1 4.48Å; I231-F259 HydrophobicContact CG1-CD1 4.46Å; I231-F259 HydrophobicContact CG1-CE1 3.88Å; I231-F262 HydrophobicContact CD1-CD2 3.79Å; I231-F262 HydrophobicContact CD1-CE2 3.8Å; I231-S290 WeakPolarHBondContact CG2-OG 3.11Å; I231-M292 HydrophobicContact CG2-CB 4.15Å; I231-M292 HydrophobicContact CG2-CG 4.43Å; I231-M292 HydrophobicContact CG2-SD 4.1Å; I231-L293 HydrophobicContact CD1-CB 4.49Å; I231-F310 HydrophobicContact CD1-CE2 4.04Å; I231-F310 HydrophobicContact CD1-CZ 3.69Å; I231-F310 HydrophobicContact CG1-CE1 4.35Å; I231-F310 HydrophobicContact CG1-CE2 4.2Å; I231-F310 HydrophobicContact CG1-CZ 3.64Å; I231-F310 HydrophobicContact CG2-CZ 4.38Å
232	R	97.7	Very high	97.5	Very high	35 Å²	35	50.3 Å²	50.3	13%	0.132	28%	0.282	C	S	.	.	H	α-helix	trans	-66.7	-35.1	179.4	-67	-178.6	-160.1	111.9	0	113.3	M228 E229 A230 A234 E235 R236 I286 S288	M228-R232 WeakPolarHBondContact O-CG 3.36Å; M228-R232 PolarHBondContact O-N 3.05Å; E229-R232 PolarHBondContact O-N 2.76Å; E229-R232 IonicContact OE2-NH1 2.72Å; A230-R232 VanDerWaalsContact C-N 3.33Å; A230-R232 PolarHBondContact O-N 3.08Å; R232-A234 VanDerWaalsContact C-N 3.32Å; R232-E235 PolarHBondContact O-N 3.17Å; R232-R236 WeakPolarHBondContact O-CG 3.09Å; R232-R236 PolarHBondContact O-N 3.29Å; R232-I286 PolarHBondContact NH2-O 2.9Å; R232-S288 PolarHBondContact NH2-O 3.43Å
233	L	97.9	Very high	97.6	Very high	57 Å²	57	49.2 Å²	49.2	30%	0.298	28%	0.277	S	S	.	.	H	α-helix	trans	-58.8	-45.4	170.8	-77.8	165.9	0	0	0	110.9	E229 A230 I231 R236 G237 D238 I244	E229-L233 WeakPolarHBondContact O-CG 3.48Å; E229-L233 PolarHBondContact O-N 3.21Å; A230-L233 WeakPolarHBondContact O-CB 3.46Å; A230-L233 PolarHBondContact O-N 2.92Å; I231-L233 PolarHBondContact O-N 3.28Å; L233-R236 VanDerWaalsContact CD2-NH2 3.26Å; L233-R236 PolarHBondContact O-N 3.33Å; L233-G237 PolarHBondContact O-N 2.99Å; L233-D238 HydrophobicContact CD2-CB 3.9Å; L233-D238 WeakPolarHBondContact CD2-OD2 3.29Å; L233-D238 PolarHBondContact O-N 3.13Å; L233-I244 HydrophobicContact CB-CD1 3.86Å
234	A	98.2	Very high	97.8	Very high	20 Å²	20	46.8 Å²	46.8	17%	0.165	26%	0.264	C	S	.	.	H	α-helix	trans	-68.6	-37.4	177	0	0	0	0	0	112.7	A230 I231 R232 R236 G237 I244 F259 M292	A230-A234 PolarHBondContact O-N 3.32Å; A230-A234 VanDerWaalsContact O-N 3.15Å; I231-A234 PolarHBondContact O-N 3.19Å; R232-A234 VanDerWaalsContact C-N 3.32Å; A234-R236 VanDerWaalsContact C-N 3.33Å; A234-R236 PolarHBondContact O-N 3.25Å; A234-G237 PolarHBondContact O-N 3.3Å; A234-G237 VanDerWaalsContact O-N 3.13Å; A234-I244 HydrophobicContact CB-CD1 4.19Å; A234-F259 HydrophobicContact CB-CE1 4.27Å; A234-F259 HydrophobicContact CB-CZ 3.64Å; A234-M292 HydrophobicContact CB-CE 4.47Å; A234-M292 HydrophobicContact CB-SD 4.49Å
235	E	96.4	Very high	97.9	Very high	66 Å²	66	46.3 Å²	46.3	31%	0.308	26%	0.261	S	S	.	.	H	α-helix	trans	-60	-40.2	175.2	-79	176.9	150.9	0	0	112.8	I231 R232 G237 S290 P291 M292	I231-E235 HydrophobicContact CG2-CG 4.32Å; I231-E235 WeakPolarHBondContact O-CG 3.32Å; I231-E235 PolarHBondContact O-N 3.39Å; R232-E235 PolarHBondContact O-N 3.17Å; E235-G237 PolarHBondContact O-N 3.46Å; E235-S290 VanDerWaalsContact CD-OG 3.3Å; E235-S290 WeakPolarHBondContact OE1-CB 3.08Å; E235-S290 PolarHBondContact OE1-OG 2.85Å; E235-P291 WeakPolarHBondContact OE1-CD 3.19Å; E235-M292 HydrophobicContact CB-CE 4.27Å; E235-M292 HydrophobicContact CG-CB 3.54Å; E235-M292 HydrophobicContact CG-CE 3.61Å; E235-M292 HydrophobicContact CG-CG 4.36Å; E235-M292 HydrophobicContact CG-SD 4Å; E235-M292 WeakPolarHBondContact OE1-CB 3.27Å; E235-M292 PolarHBondContact OE1-N 2.85Å
236	R	97.1	Very high	98	Very high	134 Å²	134	49.4 Å²	49.4	51%	0.506	28%	0.276	S	S	.	.	H	α-helix	trans	-75.9	-14.1	177	-67	-174.6	-57.2	-101.1	5.1	113.2	E229 R232 L233 A234 D238	E229-R236 IonicContact OE1-CZ 3.79Å; E229-R236 IonicContact OE1-NH1 2.76Å; E229-R236 IonicContact OE1-NH2 3.05Å; E229-R236 PolarHBondContact OE1-NH2 3.14Å; E229-R236 VanDerWaalsContact OE1-NH2 3.12Å; R232-R236 WeakPolarHBondContact O-CG 3.09Å; R232-R236 PolarHBondContact O-N 3.29Å; L233-R236 VanDerWaalsContact CD2-NH2 3.26Å; L233-R236 PolarHBondContact O-N 3.33Å; A234-R236 VanDerWaalsContact C-N 3.33Å; A234-R236 PolarHBondContact O-N 3.25Å; R236-D238 VanDerWaalsContact C-N 3.35Å; R236-D238 IonicContact CZ-OD2 3.83Å; R236-D238 IonicContact NE-OD2 3.55Å; R236-D238 PolarHBondContact NE-OD2 2.99Å; R236-D238 IonicContact NH2-OD2 3.12Å; R236-D238 PolarHBondContact NH2-OD2 3.39Å
237	G	97.7	Very high	98.1	Very high	60 Å²	60	49.4 Å²	49.4	62%	0.619	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	19.9	-174.7	0	0	0	0	0	113.7	L233 A234 E235 A239	L233-G237 PolarHBondContact O-N 2.99Å; A234-G237 PolarHBondContact O-N 3.3Å; A234-G237 VanDerWaalsContact O-N 3.13Å; E235-G237 PolarHBondContact O-N 3.46Å; G237-A239 VanDerWaalsContact C-N 3.28Å; G237-A239 PolarHBondContact O-N 2.66Å
238	D	98.3	Very high	98.1	Very high	99 Å²	99	52.4 Å²	52.4	53%	0.529	29%	0.29	S	S	.	.	S	Bend	trans	-66.1	-33.9	-179.5	-64.9	-27.1	0	0	0	111.3	L233 R236	L233-D238 HydrophobicContact CD2-CB 3.9Å; L233-D238 WeakPolarHBondContact CD2-OD2 3.29Å; L233-D238 PolarHBondContact O-N 3.13Å; R236-D238 VanDerWaalsContact C-N 3.35Å; R236-D238 IonicContact CZ-OD2 3.83Å; R236-D238 IonicContact NE-OD2 3.55Å; R236-D238 PolarHBondContact NE-OD2 2.99Å; R236-D238 IonicContact NH2-OD2 3.12Å; R236-D238 PolarHBondContact NH2-OD2 3.39Å
239	A	98.2	Very high	98.2	Very high	40 Å²	40	55 Å²	55	33%	0.331	30%	0.301	S	S	.	.	S	Bend	trans	-158	159.8	173.7	0	0	0	0	0	111	G237 I244	G237-A239 VanDerWaalsContact C-N 3.28Å; G237-A239 PolarHBondContact O-N 2.66Å; A239-I244 HydrophobicContact CB-CD1 4.07Å; A239-I244 HydrophobicContact CB-CG1 3.75Å
240	S	98.4	Very high	98.2	Very high	46 Å²	46	58.6 Å²	58.6	32%	0.322	32%	0.322	S	S	.	.			trans	-70.2	151.4	172.5	76.7	0	0	0	0	111	E242 D243 I244	S240-E242 PolarHBondContact O-N 2.92Å; S240-D243 PolarHBondContact O-N 3.36Å; S240-D243 VanDerWaalsContact O-N 3.17Å; S240-D243 WeakPolarHBondContact OG-CB 3.37Å; S240-D243 PolarHBondContact OG-N 3.32Å; S240-D243 PolarHBondContact OG-OD2 3.38Å; S240-I244 VanDerWaalsContact O-CG1 3.3Å; S240-I244 WeakPolarHBondContact O-CG1 3.43Å; S240-I244 PolarHBondContact O-N 2.95Å
241	K	98.1	Very high	98.1	Very high	62 Å²	62	61.7 Å²	61.7	27%	0.27	36%	0.355	S	S	.	.	H	α-helix	trans	-57.9	-34.5	173.7	60.1	-173	-173.2	-48.4	0	112	D245 F259 F310 F311	K241-D245 WeakPolarHBondContact O-CB 3.36Å; K241-D245 PolarHBondContact O-N 3.41Å; K241-F259 HydrophobicContact CB-CD1 4.01Å; K241-F259 HydrophobicContact CB-CD2 3.65Å; K241-F259 HydrophobicContact CB-CE1 4.01Å; K241-F259 HydrophobicContact CB-CE2 3.68Å; K241-F259 HydrophobicContact CB-CG 3.82Å; K241-F259 HydrophobicContact CB-CZ 3.85Å; K241-F259 WeakPolarHBondContact O-CD2 3.44Å; K241-F310 HydrophobicContact CD-CB 4.25Å; K241-F310 WeakPolarHBondContact CE-O 3.46Å; K241-F311 HydrophobicContact CB-CZ 4.43Å; K241-F311 HydrophobicContact CD-CD1 4.48Å; K241-F311 HydrophobicContact CD-CE1 4.09Å; K241-F311 HydrophobicContact CG-CE1 3.9Å; K241-F311 HydrophobicContact CG-CZ 4.16Å
242	E	98.6	Very high	98.1	Very high	81 Å²	81	64.2 Å²	64.2	38%	0.379	38%	0.375	S	S	.	.	H	α-helix	trans	-61.4	-50.7	173.6	-69.9	75.1	-169.3	0	0	111.9	S240 D245 I246 F311	S240-E242 PolarHBondContact O-N 2.92Å; E242-D245 PolarHBondContact O-N 2.85Å; E242-I246 VanDerWaalsContact O-CG1 3.3Å; E242-I246 WeakPolarHBondContact O-CG1 3.27Å; E242-I246 PolarHBondContact O-N 3.25Å; E242-F311 HydrophobicContact CG-CE1 3.98Å
243	D	98.7	Very high	98.1	Very high	97 Å²	97	65.3 Å²	65.3	52%	0.519	40%	0.398	S	S	.	.	H	α-helix	trans	-68	-37.7	-178.8	-67.1	-44.9	0	0	0	112	S240 I246 A247	S240-D243 PolarHBondContact O-N 3.36Å; S240-D243 VanDerWaalsContact O-N 3.17Å; S240-D243 WeakPolarHBondContact OG-CB 3.37Å; S240-D243 PolarHBondContact OG-N 3.32Å; S240-D243 PolarHBondContact OG-OD2 3.38Å; D243-I246 PolarHBondContact O-N 3.48Å; D243-A247 VanDerWaalsContact O-CB 3.3Å; D243-A247 WeakPolarHBondContact O-CB 3.36Å; D243-A247 PolarHBondContact O-N 2.89Å
244	I	98.8	Very high	98	Very high	15 Å²	15	66.4 Å²	66.4	8%	0.077	40%	0.401	C	S	.	.	H	α-helix	trans	-61.8	-45.6	174.9	-67.5	163.2	0	0	0	110.5	A230 L233 A234 A239 S240 A247 M248 P258 F259	A230-I244 HydrophobicContact CB-CG2 3.94Å; L233-I244 HydrophobicContact CB-CD1 3.86Å; A234-I244 HydrophobicContact CB-CD1 4.19Å; A239-I244 HydrophobicContact CB-CD1 4.07Å; A239-I244 HydrophobicContact CB-CG1 3.75Å; S240-I244 VanDerWaalsContact O-CG1 3.3Å; S240-I244 WeakPolarHBondContact O-CG1 3.43Å; S240-I244 PolarHBondContact O-N 2.95Å; I244-A247 PolarHBondContact O-N 3.17Å; I244-M248 WeakPolarHBondContact O-CG 3.33Å; I244-M248 PolarHBondContact O-N 3.29Å; I244-P258 HydrophobicContact CG2-CG 3.85Å; I244-F259 HydrophobicContact CB-CD2 4.37Å; I244-F259 HydrophobicContact CB-CE2 3.84Å; I244-F259 HydrophobicContact CD1-CE2 3.81Å; I244-F259 HydrophobicContact CD1-CZ 4.21Å; I244-F259 HydrophobicContact CG1-CE2 4.43Å; I244-F259 HydrophobicContact CG2-CD2 4.21Å; I244-F259 HydrophobicContact CG2-CE2 3.71Å
245	D	98.7	Very high	97.9	Very high	1 Å²	1	71.7 Å²	71.7	1%	0.005	43%	0.434	C	S	.	.	H	α-helix	trans	-63.4	-42.8	176.8	-93.7	18.4	0	0	0	112	K241 E242 M248 K249 G257 P258 F259 E260 F311	K241-D245 WeakPolarHBondContact O-CB 3.36Å; K241-D245 PolarHBondContact O-N 3.41Å; E242-D245 PolarHBondContact O-N 2.85Å; D245-M248 PolarHBondContact O-N 2.92Å; D245-K249 VanDerWaalsContact C-CE 3.46Å; D245-K249 WeakPolarHBondContact O-CB 3.42Å; D245-K249 WeakPolarHBondContact O-CE 3.33Å; D245-K249 VanDerWaalsContact O-CG 3.29Å; D245-K249 WeakPolarHBondContact O-CG 3.49Å; D245-K249 PolarHBondContact O-N 2.98Å; D245-G257 VanDerWaalsContact CG-CA 3.4Å; D245-G257 VanDerWaalsContact OD1-CA 3.27Å; D245-G257 WeakPolarHBondContact OD1-CA 2.96Å; D245-P258 WeakPolarHBondContact OD1-CD 3.18Å; D245-P258 WeakPolarHBondContact OD1-CG 3.38Å; D245-F259 WeakPolarHBondContact OD1-CB 3.32Å; D245-F259 VanDerWaalsContact OD1-CD2 3.32Å; D245-F259 WeakPolarHBondContact OD1-CD2 3.38Å; D245-F259 PolarHBondContact OD1-N 3.2Å; D245-E260 WeakPolarHBondContact OD2-CB 3.44Å; D245-E260 WeakPolarHBondContact OD2-CG 3.42Å; D245-E260 PolarHBondContact OD2-N 2.81Å; D245-F311 WeakPolarHBondContact OD2-CE2 3.23Å
246	I	98.6	Very high	97.9	Very high	82 Å²	82	71.3 Å²	71.3	42%	0.421	43%	0.433	S	S	.	.	H	α-helix	trans	-61.7	-45	175.5	-69.8	167.2	0	0	0	110.8	E242 D243 M248 K249 L250	E242-I246 VanDerWaalsContact O-CG1 3.3Å; E242-I246 WeakPolarHBondContact O-CG1 3.27Å; E242-I246 PolarHBondContact O-N 3.25Å; D243-I246 PolarHBondContact O-N 3.48Å; I246-M248 VanDerWaalsContact C-N 3.34Å; I246-M248 PolarHBondContact O-N 3.07Å; I246-K249 PolarHBondContact O-N 3.08Å; I246-L250 HydrophobicContact CG2-CD1 3.8Å; I246-L250 HydrophobicContact CG2-CG 4.28Å; I246-L250 WeakPolarHBondContact O-CB 2.98Å; I246-L250 PolarHBondContact O-N 2.96Å
247	A	98.5	Very high	98	Very high	58 Å²	58	65 Å²	65	48%	0.479	41%	0.409	S	S	.	.	H	α-helix	trans	-60.4	-42.8	178.6	0	0	0	0	0	111.8	D243 I244 G251	D243-A247 VanDerWaalsContact O-CB 3.3Å; D243-A247 WeakPolarHBondContact O-CB 3.36Å; D243-A247 PolarHBondContact O-N 2.89Å; I244-A247 PolarHBondContact O-N 3.17Å; A247-G251 WeakPolarHBondContact O-CA 3.45Å; A247-G251 PolarHBondContact O-N 2.85Å
248	M	98.3	Very high	98	Very high	66 Å²	66	63 Å²	63	33%	0.325	39%	0.385	S	S	.	.	H	α-helix	trans	-72.4	-34	177.9	-67.1	-53.4	-62.7	0	0	112.8	I244 D245 I246 A252 G253 H254 P258	I244-M248 WeakPolarHBondContact O-CG 3.33Å; I244-M248 PolarHBondContact O-N 3.29Å; D245-M248 PolarHBondContact O-N 2.92Å; I246-M248 VanDerWaalsContact C-N 3.34Å; I246-M248 PolarHBondContact O-N 3.07Å; M248-A252 HydrophobicContact CE-CB 3.67Å; M248-A252 CarbonylContact O-C 3.52Å; M248-A252 WeakPolarHBondContact O-CB 3.41Å; M248-A252 PolarHBondContact O-N 3.01Å; M248-A252 HydrophobicContact SD-CB 4.35Å; M248-G253 PolarHBondContact O-N 3.29Å; M248-H254 PolarHBondContact O-N 3.34Å; M248-P258 HydrophobicContact CG-CG 4.2Å
249	K	98.5	Very high	98	Very high	55 Å²	55	58.3 Å²	58.3	24%	0.239	36%	0.36	C	S	.	.	H	α-helix	trans	-68.7	-50.2	175.6	-76.3	179	-79.3	-169.2	0	112.4	D245 I246 G253 H254 E260	D245-K249 VanDerWaalsContact C-CE 3.46Å; D245-K249 WeakPolarHBondContact O-CB 3.42Å; D245-K249 WeakPolarHBondContact O-CE 3.33Å; D245-K249 VanDerWaalsContact O-CG 3.29Å; D245-K249 WeakPolarHBondContact O-CG 3.49Å; D245-K249 PolarHBondContact O-N 2.98Å; I246-K249 PolarHBondContact O-N 3.08Å; K249-G253 CarbonylContact O-C 3.58Å; K249-G253 WeakPolarHBondContact O-CA 3.35Å; K249-G253 PolarHBondContact O-N 3.3Å; K249-H254 WeakPolarHBondContact CA-O 3.38Å; K249-H254 WeakPolarHBondContact CG-O 3.25Å; K249-E260 IonicContact NZ-OE1 3.06Å; K249-E260 PolarHBondContact NZ-OE1 3.08Å; K249-E260 IonicContact NZ-OE2 3.35Å; K249-E260 PolarHBondContact NZ-OE2 2.83Å
250	L	98.3	Very high	98	Very high	149 Å²	149	58.6 Å²	58.6	78%	0.78	36%	0.355	S	S	*	.	H	α-helix	trans	-89.4	-32.5	-173.3	-58.9	-175.8	0	0	0	113.3	I246	I246-L250 HydrophobicContact CG2-CD1 3.8Å; I246-L250 HydrophobicContact CG2-CG 4.28Å; I246-L250 WeakPolarHBondContact O-CB 2.98Å; I246-L250 PolarHBondContact O-N 2.96Å
251	G	98	Very high	98	Very high	72 Å²	72	58.4 Å²	58.4	74%	0.742	35%	0.35	S	S	*	.	H	α-helix	trans	-86.5	-44.3	-179.6	0	0	0	0	0	113.6	A247	A247-G251 WeakPolarHBondContact O-CA 3.45Å; A247-G251 PolarHBondContact O-N 2.85Å
252	A	96.5	Very high	98	Very high	53 Å²	53	55.7 Å²	55.7	44%	0.438	34%	0.338	S	S	.	.	S	Bend	trans	-99.2	-2.9	179.1	0	0	0	0	0	113.8	M248 H254	M248-A252 HydrophobicContact CE-CB 3.67Å; M248-A252 CarbonylContact O-C 3.52Å; M248-A252 WeakPolarHBondContact O-CB 3.41Å; M248-A252 PolarHBondContact O-N 3.01Å; M248-A252 HydrophobicContact SD-CB 4.35Å; A252-H254 VanDerWaalsContact C-N 3.3Å; A252-H254 PolarHBondContact O-N 3.29Å; A252-H254 PolarHBondContact O-ND1 2.87Å
253	G	97.4	Very high	98	Very high	58 Å²	58	51.9 Å²	51.9	60%	0.598	32%	0.32	S	S	*	.			trans	70	21.7	177.2	0	0	0	0	0	114.4	M248 K249	M248-G253 PolarHBondContact O-N 3.29Å; K249-G253 CarbonylContact O-C 3.58Å; K249-G253 WeakPolarHBondContact O-CA 3.35Å; K249-G253 PolarHBondContact O-N 3.3Å
254	H	96.9	Very high	97.9	Very high	80 Å²	80	52 Å²	52	37%	0.37	31%	0.314	S	S	.	.			trans	-74.5	139.8	-179.1	-69.3	2.2	0	0	0	111.5	M248 K249 A252 M256	M248-H254 PolarHBondContact O-N 3.34Å; K249-H254 WeakPolarHBondContact CA-O 3.38Å; K249-H254 WeakPolarHBondContact CG-O 3.25Å; A252-H254 VanDerWaalsContact C-N 3.3Å; A252-H254 PolarHBondContact O-N 3.29Å; A252-H254 PolarHBondContact O-ND1 2.87Å; H254-M256 WeakPolarHBondContact CB-O 3.39Å; H254-M256 PolarHBondContact O-N 2.9Å
255	P	95.7	Very high	97.7	Very high	131 Å²	131	55 Å²	55	85%	0.851	33%	0.329	S	S	*	.	S	Bend	trans	-63.8	-26.9	177.6	-24.2	34.1	0	0	0	114.5
256	M	97.1	Very high	97.7	Very high	59 Å²	59	55 Å²	55	29%	0.291	33%	0.329	S	S	.	.	S	Bend	trans	-135.1	145.4	175	-67.7	179.3	-175.2	0	0	107.7	H254 E260 L261 Y264	H254-M256 WeakPolarHBondContact CB-O 3.39Å; H254-M256 PolarHBondContact O-N 2.9Å; M256-E260 HydrophobicContact CB-CB 4.11Å; M256-L261 HydrophobicContact CB-CB 4.21Å; M256-Y264 HydrophobicContact CE-CD2 4.03Å; M256-Y264 HydrophobicContact CE-CE2 4.39Å; M256-Y264 HydrophobicContact CE-CG 4.27Å; M256-Y264 HydrophobicContact SD-CD2 4.5Å; M256-Y264 HydrophobicContact SD-CG 4.18Å
257	G	98.3	Very high	97.6	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	31%	0.309	C	S	.	.			trans	-71.2	164.7	167.6	0	0	0	0	0	111.4	D245 F259 E260 L261	D245-G257 VanDerWaalsContact CG-CA 3.4Å; D245-G257 VanDerWaalsContact OD1-CA 3.27Å; D245-G257 WeakPolarHBondContact OD1-CA 2.96Å; G257-F259 VanDerWaalsContact C-N 3.29Å; G257-F259 PolarHBondContact O-N 3.05Å; G257-E260 PolarHBondContact N-OE2 3.06Å; G257-E260 PolarHBondContact O-N 3.31Å; G257-L261 VanDerWaalsContact O-CB 3.23Å; G257-L261 WeakPolarHBondContact O-CB 3.4Å; G257-L261 PolarHBondContact O-N 3.3Å
258	P	98.3	Very high	97.6	Very high	18 Å²	18	50.8 Å²	50.8	12%	0.117	30%	0.3	C	S	.	.	H	α-helix	trans	-56.3	-37.9	-178.4	22.1	-34.5	0	0	0	113.9	A230 I244 D245 M248 F262	A230-P258 HydrophobicContact CB-CB 3.62Å; A230-P258 HydrophobicContact CB-CG 3.44Å; A230-P258 VanDerWaalsContact CB-CG 3.44Å; I244-P258 HydrophobicContact CG2-CG 3.85Å; D245-P258 WeakPolarHBondContact OD1-CD 3.18Å; D245-P258 WeakPolarHBondContact OD1-CG 3.38Å; M248-P258 HydrophobicContact CG-CG 4.2Å; P258-F262 WeakPolarHBondContact O-CB 3.2Å; P258-F262 WeakPolarHBondContact O-CD1 3.36Å; P258-F262 PolarHBondContact O-N 3.22Å
259	F	98.7	Very high	97.4	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.009	30%	0.3	C	S	.	.	H	α-helix	trans	-73.5	-46.3	179.6	-65.7	-80.9	0	0	0	111.4	A230 I231 A234 K241 I244 D245 G257 L261 F262 D263 F310 F311	A230-F259 HydrophobicContact CB-CE2 4.07Å; A230-F259 HydrophobicContact CB-CZ 4.3Å; A230-F259 VanDerWaalsContact O-CZ 3.25Å; A230-F259 WeakPolarHBondContact O-CZ 3.28Å; I231-F259 HydrophobicContact CB-CE1 4.48Å; I231-F259 HydrophobicContact CG1-CD1 4.46Å; I231-F259 HydrophobicContact CG1-CE1 3.88Å; A234-F259 HydrophobicContact CB-CE1 4.27Å; A234-F259 HydrophobicContact CB-CZ 3.64Å; K241-F259 HydrophobicContact CB-CD1 4.01Å; K241-F259 HydrophobicContact CB-CD2 3.65Å; K241-F259 HydrophobicContact CB-CE1 4.01Å; K241-F259 HydrophobicContact CB-CE2 3.68Å; K241-F259 HydrophobicContact CB-CG 3.82Å; K241-F259 HydrophobicContact CB-CZ 3.85Å; K241-F259 WeakPolarHBondContact O-CD2 3.44Å; I244-F259 HydrophobicContact CB-CD2 4.37Å; I244-F259 HydrophobicContact CB-CE2 3.84Å; I244-F259 HydrophobicContact CD1-CE2 3.81Å; I244-F259 HydrophobicContact CD1-CZ 4.21Å; I244-F259 HydrophobicContact CG1-CE2 4.43Å; I244-F259 HydrophobicContact CG2-CD2 4.21Å; I244-F259 HydrophobicContact CG2-CE2 3.71Å; D245-F259 WeakPolarHBondContact OD1-CB 3.32Å; D245-F259 VanDerWaalsContact OD1-CD2 3.32Å; D245-F259 WeakPolarHBondContact OD1-CD2 3.38Å; D245-F259 PolarHBondContact OD1-N 3.2Å; G257-F259 VanDerWaalsContact C-N 3.29Å; G257-F259 PolarHBondContact O-N 3.05Å; F259-L261 VanDerWaalsContact C-N 3.26Å; F259-L261 PolarHBondContact O-N 3.3Å; F259-F262 PolarHBondContact O-N 3.21Å; F259-D263 WeakPolarHBondContact O-CB 3.29Å; F259-D263 PolarHBondContact O-N 2.65Å; F259-F310 HydrophobicContact CB-CB 4.2Å; F259-F310 HydrophobicContact CB-CD2 4.45Å; F259-F310 HydrophobicContact CB-CG 4.4Å; F259-F310 HydrophobicContact CD1-CB 4.06Å; F259-F310 AromaticContact CD1-CD1 3.59Å; F259-F310 HydrophobicContact CD1-CD1 3.59Å; F259-F310 AromaticContact CD1-CD2 3.73Å; F259-F310 HydrophobicContact CD1-CD2 3.73Å; F259-F310 AromaticContact CD1-CE1 3.88Å; F259-F310 HydrophobicContact CD1-CE1 3.88Å; F259-F310 AromaticContact CD1-CE2 3.99Å; F259-F310 HydrophobicContact CD1-CE2 3.99Å; F259-F310 AromaticContact CD1-CG 3.52Å; F259-F310 HydrophobicContact CD1-CG 3.52Å; F259-F310 HydrophobicContact CD1-CZ 4.09Å; F259-F310 AromaticContact CE1-CD1 3.88Å; F259-F310 HydrophobicContact CE1-CD1 3.88Å; F259-F310 AromaticContact CE1-CE1 3.83Å; F259-F310 HydrophobicContact CE1-CE1 3.83Å; F259-F310 HydrophobicContact CE1-CG 4.27Å; F259-F310 HydrophobicContact CE1-CZ 4.18Å; F259-F310 HydrophobicContact CG-CG 4.41Å; F259-F311 HydrophobicContact CB-CD2 4.41Å; F259-F311 HydrophobicContact CB-CE2 3.53Å; F259-F311 HydrophobicContact CB-CZ 4.02Å
260	E	98.2	Very high	97.3	Very high	46 Å²	46	47.8 Å²	47.8	22%	0.215	29%	0.29	C	S	.	.	H	α-helix	trans	-56.5	-40.6	171.9	-85.8	169.7	-176.7	0	0	112.2	D245 K249 M256 G257 Y264 F311	D245-E260 WeakPolarHBondContact OD2-CB 3.44Å; D245-E260 WeakPolarHBondContact OD2-CG 3.42Å; D245-E260 PolarHBondContact OD2-N 2.81Å; K249-E260 IonicContact NZ-OE1 3.06Å; K249-E260 PolarHBondContact NZ-OE1 3.08Å; K249-E260 IonicContact NZ-OE2 3.35Å; K249-E260 PolarHBondContact NZ-OE2 2.83Å; M256-E260 HydrophobicContact CB-CB 4.11Å; G257-E260 PolarHBondContact N-OE2 3.06Å; G257-E260 PolarHBondContact O-N 3.31Å; E260-Y264 VanDerWaalsContact O-CB 3.3Å; E260-Y264 WeakPolarHBondContact O-CB 3.42Å; E260-Y264 PolarHBondContact O-N 3.43Å; E260-F311 HydrophobicContact CG-CD2 4.16Å; E260-F311 HydrophobicContact CG-CE2 3.87Å
261	L	97.7	Very high	97.2	Very high	42 Å²	42	42.8 Å²	42.8	22%	0.22	26%	0.262	C	S	.	.	H	α-helix	trans	-67.6	-45.9	178.7	177.5	61.3	0	0	0	111.4	L223 M256 G257 F259 Y264 I265	L223-L261 HydrophobicContact CD1-CD2 4.42Å; M256-L261 HydrophobicContact CB-CB 4.21Å; G257-L261 VanDerWaalsContact O-CB 3.23Å; G257-L261 WeakPolarHBondContact O-CB 3.4Å; G257-L261 PolarHBondContact O-N 3.3Å; F259-L261 VanDerWaalsContact C-N 3.26Å; F259-L261 PolarHBondContact O-N 3.3Å; L261-Y264 WeakPolarHBondContact O-CB 3.39Å; L261-Y264 PolarHBondContact O-N 3.43Å; L261-Y264 VanDerWaalsContact O-N 3.14Å; L261-I265 HydrophobicContact CD1-CD1 3.89Å; L261-I265 HydrophobicContact CD1-CG1 4.2Å; L261-I265 HydrophobicContact CG-CD1 3.87Å; L261-I265 WeakPolarHBondContact O-CG1 3.32Å; L261-I265 PolarHBondContact O-N 3.35Å
262	F	98.4	Very high	97	Very high	4 Å²	4	45 Å²	45	2%	0.018	25%	0.251	C	S	.	.	H	α-helix	trans	-64.4	-41.2	178.4	-89.2	38	0	0	0	111.3	M228 I231 P258 F259 Y264 I265 G266 L267 C270	M228-F262 HydrophobicContact SD-CE2 4.07Å; I231-F262 HydrophobicContact CD1-CD2 3.79Å; I231-F262 HydrophobicContact CD1-CE2 3.8Å; P258-F262 WeakPolarHBondContact O-CB 3.2Å; P258-F262 WeakPolarHBondContact O-CD1 3.36Å; P258-F262 PolarHBondContact O-N 3.22Å; F259-F262 PolarHBondContact O-N 3.21Å; F262-Y264 VanDerWaalsContact C-N 3.26Å; F262-Y264 PolarHBondContact O-N 2.78Å; F262-I265 PolarHBondContact O-N 3.43Å; F262-G266 CarbonylContact O-C 3.57Å; F262-G266 PolarHBondContact O-N 3.39Å; F262-L267 HydrophobicContact CB-CD2 3.71Å; F262-C270 HydrophobicContact CD2-CB 3.81Å; F262-C270 HydrophobicContact CE2-CB 3.88Å; F262-C270 HydrophobicContact CG-CB 4.4Å
263	D	98.5	Very high	96.9	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-64.7	-30.4	172.9	-80.9	-9	0	0	0	112.8	F259 G303 R304 G309 F310 F311 Y313	F259-D263 WeakPolarHBondContact O-CB 3.29Å; F259-D263 PolarHBondContact O-N 2.65Å; D263-G303 WeakPolarHBondContact O-CA 3.18Å; D263-R304 PolarHBondContact O-N 3.37Å; D263-G309 WeakPolarHBondContact OD1-CA 3.34Å; D263-F310 PolarHBondContact OD1-N 2.67Å; D263-F310 PolarHBondContact OD2-N 3.1Å; D263-F311 PolarHBondContact OD2-N 2.89Å; D263-Y313 HydrophobicContact CB-CE2 3.79Å; D263-Y313 WeakPolarHBondContact CB-OH 3.39Å; D263-Y313 VanDerWaalsContact CG-OH 3.31Å; D263-Y313 WeakPolarHBondContact OD2-CE2 3.42Å; D263-Y313 PolarHBondContact OD2-OH 3.39Å
264	Y	96.9	Very high	96.9	Very high	101 Å²	101	40.6 Å²	40.6	40%	0.396	21%	0.206	S	C	.	.	H	α-helix	trans	-73.2	-40.9	175.3	179.3	-90.5	0	0	0	112.2	M256 E260 L261 F262	M256-Y264 HydrophobicContact CE-CD2 4.03Å; M256-Y264 HydrophobicContact CE-CE2 4.39Å; M256-Y264 HydrophobicContact CE-CG 4.27Å; M256-Y264 HydrophobicContact SD-CD2 4.5Å; M256-Y264 HydrophobicContact SD-CG 4.18Å; E260-Y264 VanDerWaalsContact O-CB 3.3Å; E260-Y264 WeakPolarHBondContact O-CB 3.42Å; E260-Y264 PolarHBondContact O-N 3.43Å; L261-Y264 WeakPolarHBondContact O-CB 3.39Å; L261-Y264 PolarHBondContact O-N 3.43Å; L261-Y264 VanDerWaalsContact O-N 3.14Å; F262-Y264 VanDerWaalsContact C-N 3.26Å; F262-Y264 PolarHBondContact O-N 2.78Å
265	I	94.9	Very high	96.8	Very high	77 Å²	77	39.3 Å²	39.3	40%	0.395	20%	0.202	S	C	.	.	H	α-helix	trans	-69.4	-43.5	177.2	-68.8	167.7	0	0	0	110.7	L261 F262 T269	L261-I265 HydrophobicContact CD1-CD1 3.89Å; L261-I265 HydrophobicContact CD1-CG1 4.2Å; L261-I265 HydrophobicContact CG-CD1 3.87Å; L261-I265 WeakPolarHBondContact O-CG1 3.32Å; L261-I265 PolarHBondContact O-N 3.35Å; F262-I265 PolarHBondContact O-N 3.43Å; I265-T269 HydrophobicContact CG2-CG2 4.05Å
266	G	96.9	Very high	96.7	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.01	18%	0.175	C	C	.	.			trans	114.1	119.7	-172.5	0	0	0	0	0	111.1	F262 D268 T269 C270 L302	F262-G266 CarbonylContact O-C 3.57Å; F262-G266 PolarHBondContact O-N 3.39Å; G266-D268 VanDerWaalsContact C-N 3.29Å; G266-D268 PolarHBondContact O-N 3.29Å; G266-T269 WeakPolarHBondContact O-CA 3.18Å; G266-T269 WeakPolarHBondContact O-CB 3.47Å; G266-T269 PolarHBondContact O-N 3.27Å; G266-C270 PolarHBondContact O-N 3Å; G266-L302 WeakPolarHBondContact CA-O 3.36Å
267	L	98.4	Very high	96.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-64.2	-32.3	-174.2	-60.6	-165.9	0	0	0	113.6	F262 T269 C270 K271 L293 L296 V297 K301 L302 F310	F262-L267 HydrophobicContact CB-CD2 3.71Å; L267-T269 VanDerWaalsContact C-N 3.31Å; L267-T269 PolarHBondContact O-N 3.27Å; L267-C270 PolarHBondContact O-N 2.84Å; L267-K271 VanDerWaalsContact O-CB 3.28Å; L267-K271 WeakPolarHBondContact O-CB 3.38Å; L267-K271 PolarHBondContact O-N 2.86Å; L267-L293 HydrophobicContact CB-CD1 3.88Å; L267-L293 HydrophobicContact CD1-CD1 4.35Å; L267-L293 HydrophobicContact CD2-CD1 4.24Å; L267-L293 HydrophobicContact CG-CD1 4.39Å; L267-L296 HydrophobicContact CD1-CB 3.88Å; L267-L296 HydrophobicContact CD1-CD1 3.7Å; L267-L296 HydrophobicContact CD1-CG 4.41Å; L267-V297 HydrophobicContact CB-CG2 3.89Å; L267-K301 WeakPolarHBondContact CD1-O 3.3Å; L267-L302 PolarHBondContact N-O 3.35Å; L267-L302 VanDerWaalsContact N-O 3.12Å; L267-F310 HydrophobicContact CD1-CD2 3.87Å; L267-F310 HydrophobicContact CD1-CE2 3.8Å; L267-F310 HydrophobicContact CD1-CZ 4.46Å; L267-F310 HydrophobicContact CD2-CD2 3.8Å; L267-F310 HydrophobicContact CD2-CE2 3.57Å; L267-F310 HydrophobicContact CG-CE2 4.38Å
268	D	97	Very high	96.5	Very high	52 Å²	52	34.2 Å²	34.2	28%	0.278	17%	0.173	S	C	.	.	H	α-helix	trans	-62.5	-37.2	170.8	58.7	-33	0	0	0	112.5	G266 F272 V297 L302 K305	G266-D268 VanDerWaalsContact C-N 3.29Å; G266-D268 PolarHBondContact O-N 3.29Å; D268-F272 WeakPolarHBondContact O-CB 3.09Å; D268-F272 PolarHBondContact O-N 2.97Å; D268-V297 HydrophobicContact CB-CG1 4.3Å; D268-L302 HydrophobicContact CB-CD1 4.3Å; D268-L302 HydrophobicContact CB-CD2 3.92Å; D268-K305 WeakPolarHBondContact OD1-CE 3.48Å; D268-K305 IonicContact OD1-NZ 3.99Å; D268-K305 PolarHBondContact OD1-NZ 3.06Å; D268-K305 IonicContact OD2-NZ 2.85Å; D268-K305 PolarHBondContact OD2-NZ 3.21Å
269	T	94.2	Very high	96.3	Very high	55 Å²	55	42.1 Å²	42.1	34%	0.337	21%	0.206	S	C	.	.	H	α-helix	trans	-71.4	-44.6	177.1	-57.4	0	0	0	0	110.3	I265 G266 L267 K271 F272 I273	I265-T269 HydrophobicContact CG2-CG2 4.05Å; G266-T269 WeakPolarHBondContact O-CA 3.18Å; G266-T269 WeakPolarHBondContact O-CB 3.47Å; G266-T269 PolarHBondContact O-N 3.27Å; L267-T269 VanDerWaalsContact C-N 3.31Å; L267-T269 PolarHBondContact O-N 3.27Å; T269-K271 VanDerWaalsContact C-N 3.32Å; T269-K271 PolarHBondContact O-N 2.94Å; T269-F272 PolarHBondContact O-N 3.44Å; T269-I273 HydrophobicContact CG2-CD1 4.13Å; T269-I273 VanDerWaalsContact O-CG1 3.28Å; T269-I273 WeakPolarHBondContact O-CG1 3.49Å; T269-I273 PolarHBondContact O-N 3.41Å
270	C	96.5	Very high	96	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.014	22%	0.223	C	C	.	.	H	α-helix	trans	-58.2	-44.8	173.2	-67.2	0	0	0	0	111.5	F262 G266 L267 I273 I274	F262-C270 HydrophobicContact CD2-CB 3.81Å; F262-C270 HydrophobicContact CE2-CB 3.88Å; F262-C270 HydrophobicContact CG-CB 4.4Å; G266-C270 PolarHBondContact O-N 3Å; L267-C270 PolarHBondContact O-N 2.84Å; C270-I273 PolarHBondContact O-N 3.17Å; C270-I274 PolarHBondContact O-N 2.89Å
271	K	96.9	Very high	95.8	Very high	44 Å²	44	47.9 Å²	47.9	19%	0.191	23%	0.228	C	C	.	.	H	α-helix	trans	-61.1	-48	175.6	178.7	166.4	168.9	52.2	0	112	L267 T269 I273 I274 D275 L293 D294 V297	L267-K271 VanDerWaalsContact O-CB 3.28Å; L267-K271 WeakPolarHBondContact O-CB 3.38Å; L267-K271 PolarHBondContact O-N 2.86Å; T269-K271 VanDerWaalsContact C-N 3.32Å; T269-K271 PolarHBondContact O-N 2.94Å; K271-I273 VanDerWaalsContact C-N 3.26Å; K271-I273 PolarHBondContact O-N 3.35Å; K271-I274 WeakPolarHBondContact O-CG2 3.28Å; K271-I274 PolarHBondContact O-N 3.19Å; K271-D275 WeakPolarHBondContact CE-OD2 3.25Å; K271-D275 VanDerWaalsContact CG-OD2 3.32Å; K271-D275 WeakPolarHBondContact CG-OD2 3.24Å; K271-D275 IonicContact NZ-OD1 2.68Å; K271-D275 PolarHBondContact NZ-OD1 3.34Å; K271-D275 IonicContact NZ-OD2 2.8Å; K271-D275 PolarHBondContact NZ-OD2 3.43Å; K271-D275 VanDerWaalsContact O-CB 3.29Å; K271-D275 WeakPolarHBondContact O-CB 3.44Å; K271-D275 PolarHBondContact O-N 2.98Å; K271-L293 HydrophobicContact CB-CD2 4.06Å; K271-L293 HydrophobicContact CB-CG 4.28Å; K271-D294 WeakPolarHBondContact CD-OD1 3.32Å; K271-D294 WeakPolarHBondContact CE-OD1 3.45Å; K271-D294 IonicContact NZ-OD1 3.56Å; K271-D294 PolarHBondContact NZ-OD1 3.36Å; K271-V297 HydrophobicContact CB-CG2 4.16Å; K271-V297 HydrophobicContact CD-CB 4.05Å; K271-V297 HydrophobicContact CD-CG1 4.1Å; K271-V297 HydrophobicContact CD-CG2 4.02Å
272	F	94.4	Very high	95.7	Very high	119 Å²	119	49.6 Å²	49.6	52%	0.522	24%	0.241	S	C	.	.	H	α-helix	trans	-55.8	-42.3	177.1	176.5	-98.2	0	0	0	112.2	D268 T269 G276	D268-F272 WeakPolarHBondContact O-CB 3.09Å; D268-F272 PolarHBondContact O-N 2.97Å; T269-F272 PolarHBondContact O-N 3.44Å; F272-G276 PolarHBondContact O-N 3.02Å; F272-G276 VanDerWaalsContact O-N 3.08Å
273	I	94.1	Very high	95.6	Very high	18 Å²	18	56.1 Å²	56.1	9%	0.092	27%	0.272	C	S	.	.	H	α-helix	trans	-66	-52.4	178.5	-66	163.6	0	0	0	111	V224 T269 C270 K271 G276 W277	V224-I273 HydrophobicContact CG1-CG2 4.28Å; V224-I273 HydrophobicContact CG2-CG2 4.25Å; T269-I273 HydrophobicContact CG2-CD1 4.13Å; T269-I273 VanDerWaalsContact O-CG1 3.28Å; T269-I273 WeakPolarHBondContact O-CG1 3.49Å; T269-I273 PolarHBondContact O-N 3.41Å; C270-I273 PolarHBondContact O-N 3.17Å; K271-I273 VanDerWaalsContact C-N 3.26Å; K271-I273 PolarHBondContact O-N 3.35Å; I273-G276 PolarHBondContact O-N 2.85Å; I273-W277 HydrophobicContact CG2-CD2 4.03Å; I273-W277 HydrophobicContact CG2-CE3 4.34Å; I273-W277 HydrophobicContact CG2-CH2 3.84Å; I273-W277 HydrophobicContact CG2-CZ2 3.43Å; I273-W277 VanDerWaalsContact CG2-CZ2 3.43Å; I273-W277 HydrophobicContact CG2-CZ3 4.28Å; I273-W277 PolarHBondContact O-N 3.06Å
274	I	96.5	Very high	95.5	Very high	1 Å²	1	58 Å²	58	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-67	-40.3	-175.2	-163.7	63.7	0	0	0	111.8	V224 M228 C270 K271 G276 W277 H278 F287 L293	V224-I274 HydrophobicContact CG1-CD1 4.17Å; M228-I274 HydrophobicContact CE-CG1 4.14Å; M228-I274 HydrophobicContact CE-CG2 4.4Å; M228-I274 HydrophobicContact CG-CD1 3.84Å; M228-I274 HydrophobicContact CG-CG1 3.92Å; M228-I274 HydrophobicContact SD-CB 4.32Å; M228-I274 HydrophobicContact SD-CG1 4.07Å; M228-I274 HydrophobicContact SD-CG2 4.25Å; C270-I274 PolarHBondContact O-N 2.89Å; K271-I274 WeakPolarHBondContact O-CG2 3.28Å; K271-I274 PolarHBondContact O-N 3.19Å; I274-G276 VanDerWaalsContact C-N 3.33Å; I274-G276 PolarHBondContact O-N 3.3Å; I274-W277 HydrophobicContact CD1-CE3 4.17Å; I274-W277 PolarHBondContact O-N 3.24Å; I274-H278 WeakPolarHBondContact O-CB 3.43Å; I274-H278 PolarHBondContact O-N 3.3Å; I274-F287 HydrophobicContact CD1-CB 4.35Å; I274-F287 HydrophobicContact CD1-CD1 4.24Å; I274-F287 WeakPolarHBondContact CG1-O 3.5Å; I274-L293 HydrophobicContact CG2-CD2 4.31Å
275	D	95.3	Very high	95.4	Very high	52 Å²	52	57.7 Å²	57.7	28%	0.278	29%	0.292	S	S	.	.	H	α-helix	trans	-63.6	-41	175.9	-70.9	-10	0	0	0	111.2	K271 W277 H278 K279	K271-D275 WeakPolarHBondContact CE-OD2 3.25Å; K271-D275 VanDerWaalsContact CG-OD2 3.32Å; K271-D275 WeakPolarHBondContact CG-OD2 3.24Å; K271-D275 IonicContact NZ-OD1 2.68Å; K271-D275 PolarHBondContact NZ-OD1 3.34Å; K271-D275 IonicContact NZ-OD2 2.8Å; K271-D275 PolarHBondContact NZ-OD2 3.43Å; K271-D275 VanDerWaalsContact O-CB 3.29Å; K271-D275 WeakPolarHBondContact O-CB 3.44Å; K271-D275 PolarHBondContact O-N 2.98Å; D275-W277 VanDerWaalsContact C-N 3.29Å; D275-W277 PolarHBondContact O-N 3.37Å; D275-H278 PolarHBondContact O-N 3Å; D275-K279 VanDerWaalsContact O-CB 3.27Å; D275-K279 WeakPolarHBondContact O-CB 3.17Å; D275-K279 PolarHBondContact O-N 3.34Å
276	G	92.9	Very high	95.4	Very high	27 Å²	27	57.2 Å²	57.2	28%	0.278	29%	0.29	S	S	.	.	H	α-helix	trans	-61.9	-37	176	0	0	0	0	0	112.6	F272 I273 I274	F272-G276 PolarHBondContact O-N 3.02Å; F272-G276 VanDerWaalsContact O-N 3.08Å; I273-G276 PolarHBondContact O-N 2.85Å; I274-G276 VanDerWaalsContact C-N 3.33Å; I274-G276 PolarHBondContact O-N 3.3Å
277	W	94.8	Very high	95.3	Very high	3 Å²	3	57.3 Å²	57.3	1%	0.011	29%	0.29	C	S	.	.	H	α-helix	trans	-74	-44.7	174.5	-64	-5.9	0	0	0	112	P215 N220 V224 P225 I273 I274 D275 K279 R280 F281 F287	P215-W277 HydrophobicContact CB-CD2 4.12Å; P215-W277 HydrophobicContact CB-CG 4.07Å; P215-W277 HydrophobicContact CB-CZ2 4.44Å; N220-W277 HydrophobicContact CB-CH2 4.4Å; N220-W277 WeakPolarHBondContact O-CH2 3.22Å; V224-W277 HydrophobicContact CB-CH2 3.75Å; V224-W277 HydrophobicContact CB-CZ3 3.64Å; V224-W277 HydrophobicContact CG1-CE3 4.33Å; V224-W277 HydrophobicContact CG1-CH2 4.13Å; V224-W277 HydrophobicContact CG1-CZ3 3.67Å; V224-W277 HydrophobicContact CG2-CH2 4.03Å; V224-W277 HydrophobicContact CG2-CZ3 4.39Å; P225-W277 HydrophobicContact CG-CZ3 4.11Å; I273-W277 HydrophobicContact CG2-CD2 4.03Å; I273-W277 HydrophobicContact CG2-CE3 4.34Å; I273-W277 HydrophobicContact CG2-CH2 3.84Å; I273-W277 HydrophobicContact CG2-CZ2 3.43Å; I273-W277 VanDerWaalsContact CG2-CZ2 3.43Å; I273-W277 HydrophobicContact CG2-CZ3 4.28Å; I273-W277 PolarHBondContact O-N 3.06Å; I274-W277 HydrophobicContact CD1-CE3 4.17Å; I274-W277 PolarHBondContact O-N 3.24Å; D275-W277 VanDerWaalsContact C-N 3.29Å; D275-W277 PolarHBondContact O-N 3.37Å; W277-K279 VanDerWaalsContact C-N 3.34Å; W277-K279 PolarHBondContact O-N 3.29Å; W277-R280 PolarHBondContact O-N 3.45Å; W277-R280 VanDerWaalsContact O-N 3.13Å; W277-F281 WeakPolarHBondContact O-CD2 3.4Å; W277-F281 PolarHBondContact O-N 3.25Å; W277-F287 HydrophobicContact CB-CB 4.39Å; W277-F287 HydrophobicContact CB-CD1 4.04Å; W277-F287 HydrophobicContact CB-CD2 4.12Å; W277-F287 HydrophobicContact CB-CE1 4.15Å; W277-F287 HydrophobicContact CB-CE2 4.28Å; W277-F287 HydrophobicContact CB-CG 3.98Å; W277-F287 HydrophobicContact CB-CZ 4.25Å; W277-F287 HydrophobicContact CD2-CD1 4.39Å; W277-F287 AromaticContact CD2-CE1 3.95Å; W277-F287 HydrophobicContact CD2-CE1 3.95Å; W277-F287 HydrophobicContact CD2-CZ 4.38Å; W277-F287 AromaticContact CE3-CD1 3.63Å; W277-F287 HydrophobicContact CE3-CD1 3.63Å; W277-F287 AromaticContact CE3-CE1 3.28Å; W277-F287 HydrophobicContact CE3-CE1 3.28Å; W277-F287 HydrophobicContact CE3-CZ 4.12Å; W277-F287 HydrophobicContact CG-CE1 4.35Å; W277-F287 HydrophobicContact CG-CZ 4.48Å; W277-F287 HydrophobicContact CZ3-CD1 4.44Å; W277-F287 AromaticContact CZ3-CE1 3.93Å; W277-F287 HydrophobicContact CZ3-CE1 3.93Å
278	H	96.2	Very high	95.2	Very high	53 Å²	53	59.1 Å²	59.1	25%	0.245	30%	0.303	C	S	.	.	H	α-helix	trans	-59.8	-43.8	177.7	-172	52.9	0	0	0	112	I274 D275 R280 F281 P282 F287	I274-H278 WeakPolarHBondContact O-CB 3.43Å; I274-H278 PolarHBondContact O-N 3.3Å; D275-H278 PolarHBondContact O-N 3Å; H278-R280 PolarHBondContact O-N 2.86Å; H278-F281 CarbonylContact O-C 3.23Å; H278-F281 VanDerWaalsContact O-C 3.23Å; H278-F281 PolarHBondContact O-N 2.55Å; H278-P282 PolarHBondContact CE1-O 2.82Å; H278-P282 WeakPolarHBondContact O-CA 3.38Å; H278-P282 WeakPolarHBondContact O-CD 3.33Å; H278-F287 HydrophobicContact CB-CB 4.48Å; H278-F287 WeakPolarHBondContact CB-O 3.43Å
279	K	95.1	Very high	95.2	Very high	185 Å²	185	58.9 Å²	58.9	80%	0.804	30%	0.304	S	S	*	.	H	α-helix	trans	-57.6	-34.8	177	-178.4	177.9	178.1	-179.4	0	112.6	D275 W277	D275-K279 VanDerWaalsContact O-CB 3.27Å; D275-K279 WeakPolarHBondContact O-CB 3.17Å; D275-K279 PolarHBondContact O-N 3.34Å; W277-K279 VanDerWaalsContact C-N 3.34Å; W277-K279 PolarHBondContact O-N 3.29Å
280	R	91.5	Very high	95.3	Very high	95 Å²	95	56.2 Å²	56.2	36%	0.358	29%	0.288	S	S	.	.	H	α-helix	trans	-85.5	-29.1	180	-73.7	179.4	170.7	132.4	-2.4	113.3	P152 E155 W277 H278	P152-R280 VanDerWaalsContact CG-CZ 3.4Å; P152-R280 VanDerWaalsContact CG-NH2 3.3Å; E155-R280 VanDerWaalsContact CD-NH2 3.31Å; E155-R280 IonicContact OE1-CZ 2.64Å; E155-R280 IonicContact OE1-NE 3.19Å; E155-R280 IonicContact OE1-NH2 2.67Å; E155-R280 PolarHBondContact OE1-NH2 3.48Å; E155-R280 IonicContact OE2-NH2 2.67Å; E155-R280 PolarHBondContact OE2-NH2 3.45Å; W277-R280 PolarHBondContact O-N 3.45Å; W277-R280 VanDerWaalsContact O-N 3.13Å; H278-R280 PolarHBondContact O-N 2.86Å
281	F	94.4	Very high	95.3	Very high	73 Å²	73	60.7 Å²	60.7	32%	0.32	32%	0.317	S	S	.	.			trans	-136.4	62.8	-174.6	-53.4	-77.2	0	0	0	109.9	P215 W277 H278 E283 N284 F287	P215-F281 HydrophobicContact CG-CD2 4.3Å; P215-F281 HydrophobicContact CG-CE2 3.44Å; P215-F281 VanDerWaalsContact CG-CE2 3.44Å; P215-F281 HydrophobicContact CG-CZ 4Å; W277-F281 WeakPolarHBondContact O-CD2 3.4Å; W277-F281 PolarHBondContact O-N 3.25Å; H278-F281 CarbonylContact O-C 3.23Å; H278-F281 VanDerWaalsContact O-C 3.23Å; H278-F281 PolarHBondContact O-N 2.55Å; F281-E283 PolarHBondContact O-N 3.14Å; F281-N284 HydrophobicContact CB-CB 4.15Å; F281-N284 PolarHBondContact O-N 3.31Å; F281-F287 HydrophobicContact CB-CD2 3.74Å; F281-F287 HydrophobicContact CB-CE2 3.9Å; F281-F287 HydrophobicContact CD2-CD2 4.26Å; F281-F287 AromaticContact CD2-CE2 3.78Å; F281-F287 HydrophobicContact CD2-CE2 3.78Å; F281-F287 HydrophobicContact CG-CD2 4.35Å; F281-F287 HydrophobicContact CG-CE2 4.03Å
282	P	96.1	Very high	95.4	Very high	78 Å²	78	61.5 Å²	61.5	51%	0.506	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-26.6	-172.8	25	-35.6	0	0	0	113.1	H278 N284	H278-P282 PolarHBondContact CE1-O 2.82Å; H278-P282 WeakPolarHBondContact O-CA 3.38Å; H278-P282 WeakPolarHBondContact O-CD 3.33Å; P282-N284 VanDerWaalsContact C-N 3.28Å; P282-N284 PolarHBondContact O-N 3.37Å
283	E	96.7	Very high	95.6	Very high	142 Å²	142	55.9 Å²	55.9	66%	0.664	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-11.6	177.9	74.2	-68	162.2	0	0	114	F281 P285	F281-E283 PolarHBondContact O-N 3.14Å; E283-P285 VanDerWaalsContact O-CD 3.28Å; E283-P285 WeakPolarHBondContact O-CD 3.15Å
284	N	95.3	Very high	95.8	Very high	41 Å²	41	57.5 Å²	57.5	22%	0.219	31%	0.306	C	S	.	.			trans	-90	108.3	-177.2	-167.7	-19.2	0	0	0	111.2	F281 P282 I286 F287	F281-N284 HydrophobicContact CB-CB 4.15Å; F281-N284 PolarHBondContact O-N 3.31Å; P282-N284 VanDerWaalsContact C-N 3.28Å; P282-N284 PolarHBondContact O-N 3.37Å; N284-I286 PolarHBondContact O-N 3.42Å; N284-I286 WeakPolarHBondContact OD1-CD1 3.4Å; N284-I286 VanDerWaalsContact OD1-CG1 3.24Å; N284-I286 WeakPolarHBondContact OD1-CG1 3.49Å; N284-I286 PolarHBondContact OD1-N 3.46Å; N284-F287 HydrophobicContact CB-CD2 3.62Å; N284-F287 HydrophobicContact CB-CE2 4.21Å; N284-F287 HydrophobicContact CB-CG 4.3Å; N284-F287 WeakPolarHBondContact O-CB 3.49Å; N284-F287 PolarHBondContact O-N 3.21Å
285	P	94.7	Very high	95.9	Very high	94 Å²	94	63.6 Å²	63.6	61%	0.61	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-66	-24.6	-171.9	26.7	-35.9	0	0	0	113.6	E283 F287 S288	E283-P285 VanDerWaalsContact O-CD 3.28Å; E283-P285 WeakPolarHBondContact O-CD 3.15Å; P285-F287 PolarHBondContact O-N 3.21Å; P285-S288 WeakPolarHBondContact O-CB 3.39Å; P285-S288 PolarHBondContact O-N 3.13Å; P285-S288 PolarHBondContact O-OG 3.18Å
286	I	95.3	Very high	96	Very high	67 Å²	67	62.1 Å²	62.1	34%	0.344	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-68.4	-18.8	177.7	78.8	-161.3	0	0	0	111.7	P225 R232 N284	P225-I286 HydrophobicContact CB-CB 4.37Å; P225-I286 HydrophobicContact CB-CG1 4.48Å; R232-I286 PolarHBondContact NH2-O 2.9Å; N284-I286 PolarHBondContact O-N 3.42Å; N284-I286 WeakPolarHBondContact OD1-CD1 3.4Å; N284-I286 VanDerWaalsContact OD1-CG1 3.24Å; N284-I286 WeakPolarHBondContact OD1-CG1 3.49Å; N284-I286 PolarHBondContact OD1-N 3.46Å
287	F	95.8	Very high	96.3	Very high	2 Å²	2	62.4 Å²	62.4	1%	0.009	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-95.4	-1.6	177.5	-60.8	-32.8	0	0	0	114.1	P225 I274 W277 H278 F281 N284 P285	P225-F287 HydrophobicContact CG-CE1 4.45Å; I274-F287 HydrophobicContact CD1-CB 4.35Å; I274-F287 HydrophobicContact CD1-CD1 4.24Å; I274-F287 WeakPolarHBondContact CG1-O 3.5Å; W277-F287 HydrophobicContact CB-CB 4.39Å; W277-F287 HydrophobicContact CB-CD1 4.04Å; W277-F287 HydrophobicContact CB-CD2 4.12Å; W277-F287 HydrophobicContact CB-CE1 4.15Å; W277-F287 HydrophobicContact CB-CE2 4.28Å; W277-F287 HydrophobicContact CB-CG 3.98Å; W277-F287 HydrophobicContact CB-CZ 4.25Å; W277-F287 HydrophobicContact CD2-CD1 4.39Å; W277-F287 AromaticContact CD2-CE1 3.95Å; W277-F287 HydrophobicContact CD2-CE1 3.95Å; W277-F287 HydrophobicContact CD2-CZ 4.38Å; W277-F287 AromaticContact CE3-CD1 3.63Å; W277-F287 HydrophobicContact CE3-CD1 3.63Å; W277-F287 AromaticContact CE3-CE1 3.28Å; W277-F287 HydrophobicContact CE3-CE1 3.28Å; W277-F287 HydrophobicContact CE3-CZ 4.12Å; W277-F287 HydrophobicContact CG-CE1 4.35Å; W277-F287 HydrophobicContact CG-CZ 4.48Å; W277-F287 HydrophobicContact CZ3-CD1 4.44Å; W277-F287 AromaticContact CZ3-CE1 3.93Å; W277-F287 HydrophobicContact CZ3-CE1 3.93Å; H278-F287 HydrophobicContact CB-CB 4.48Å; H278-F287 WeakPolarHBondContact CB-O 3.43Å; F281-F287 HydrophobicContact CB-CD2 3.74Å; F281-F287 HydrophobicContact CB-CE2 3.9Å; F281-F287 HydrophobicContact CD2-CD2 4.26Å; F281-F287 AromaticContact CD2-CE2 3.78Å; F281-F287 HydrophobicContact CD2-CE2 3.78Å; F281-F287 HydrophobicContact CG-CD2 4.35Å; F281-F287 HydrophobicContact CG-CE2 4.03Å; N284-F287 HydrophobicContact CB-CD2 3.62Å; N284-F287 HydrophobicContact CB-CE2 4.21Å; N284-F287 HydrophobicContact CB-CG 4.3Å; N284-F287 WeakPolarHBondContact O-CB 3.49Å; N284-F287 PolarHBondContact O-N 3.21Å; P285-F287 PolarHBondContact O-N 3.21Å
288	S	96.1	Very high	96.4	Very high	39 Å²	39	70.5 Å²	70.5	27%	0.273	36%	0.359	S	S	.	.			trans	-58.8	137.6	-178.9	-61.9	0	0	0	0	111.5	R232 P285	R232-S288 PolarHBondContact NH2-O 3.43Å; P285-S288 WeakPolarHBondContact O-CB 3.39Å; P285-S288 PolarHBondContact O-N 3.13Å; P285-S288 PolarHBondContact O-OG 3.18Å
289	P	96.4	Very high	96.6	Very high	46 Å²	46	72.8 Å²	72.8	30%	0.299	37%	0.37	S	S	.	.			trans	-64	169.8	175.9	28.6	-35.5	0	0	0	111.4
290	S	97	Very high	96.7	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	35%	0.35	C	S	.	.			trans	-124.7	124.5	179.6	152.6	0	0	0	0	110.2	I231 E235 M292 L293 D294	I231-S290 WeakPolarHBondContact CG2-OG 3.11Å; E235-S290 VanDerWaalsContact CD-OG 3.3Å; E235-S290 WeakPolarHBondContact OE1-CB 3.08Å; E235-S290 PolarHBondContact OE1-OG 2.85Å; S290-M292 PolarHBondContact O-N 3.22Å; S290-M292 PolarHBondContact OG-N 3.31Å; S290-L293 PolarHBondContact O-N 3.26Å; S290-L293 PolarHBondContact OG-N 3Å; S290-L293 VanDerWaalsContact OG-N 3.14Å; S290-D294 VanDerWaalsContact O-CG 3.31Å; S290-D294 PolarHBondContact O-N 2.96Å
291	P	96.9	Very high	97	Very high	96 Å²	96	64.1 Å²	64.1	62%	0.623	35%	0.346	S	S	*	.	H	α-helix	trans	-58.1	-34	174.1	-25.9	34.8	0	0	0	113.8	E235 K295	E235-P291 WeakPolarHBondContact OE1-CD 3.19Å; P291-K295 WeakPolarHBondContact O-CB 3.33Å; P291-K295 PolarHBondContact O-N 2.97Å
292	M	97.9	Very high	97.2	Very high	61 Å²	61	61.9 Å²	61.9	30%	0.3	34%	0.337	S	S	.	.	H	α-helix	trans	-65.3	-44.4	176	-178.6	-178.3	-75	0	0	111.7	I231 A234 E235 S290 L296 F310	I231-M292 HydrophobicContact CG2-CB 4.15Å; I231-M292 HydrophobicContact CG2-CG 4.43Å; I231-M292 HydrophobicContact CG2-SD 4.1Å; A234-M292 HydrophobicContact CB-CE 4.47Å; A234-M292 HydrophobicContact CB-SD 4.49Å; E235-M292 HydrophobicContact CB-CE 4.27Å; E235-M292 HydrophobicContact CG-CB 3.54Å; E235-M292 HydrophobicContact CG-CE 3.61Å; E235-M292 HydrophobicContact CG-CG 4.36Å; E235-M292 HydrophobicContact CG-SD 4Å; E235-M292 WeakPolarHBondContact OE1-CB 3.27Å; E235-M292 PolarHBondContact OE1-N 2.85Å; S290-M292 PolarHBondContact O-N 3.22Å; S290-M292 PolarHBondContact OG-N 3.31Å; M292-L296 PolarHBondContact O-N 3.15Å; M292-F310 HydrophobicContact CG-CE1 4.03Å; M292-F310 HydrophobicContact SD-CE1 3.79Å
293	L	98.4	Very high	97.3	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-63.3	-46.4	175.4	179.9	61.3	0	0	0	111.1	M228 I231 L267 K271 I274 S290 K295 L296 V297	M228-L293 HydrophobicContact CE-CD2 4.23Å; M228-L293 HydrophobicContact SD-CD2 3.97Å; I231-L293 HydrophobicContact CD1-CB 4.49Å; L267-L293 HydrophobicContact CB-CD1 3.88Å; L267-L293 HydrophobicContact CD1-CD1 4.35Å; L267-L293 HydrophobicContact CD2-CD1 4.24Å; L267-L293 HydrophobicContact CG-CD1 4.39Å; K271-L293 HydrophobicContact CB-CD2 4.06Å; K271-L293 HydrophobicContact CB-CG 4.28Å; I274-L293 HydrophobicContact CG2-CD2 4.31Å; S290-L293 PolarHBondContact O-N 3.26Å; S290-L293 PolarHBondContact OG-N 3Å; S290-L293 VanDerWaalsContact OG-N 3.14Å; L293-K295 VanDerWaalsContact C-N 3.33Å; L293-K295 PolarHBondContact O-N 2.67Å; L293-L296 PolarHBondContact O-N 3.18Å; L293-V297 HydrophobicContact CD1-CG2 4.29Å; L293-V297 WeakPolarHBondContact O-CG2 3.3Å; L293-V297 PolarHBondContact O-N 3.45Å
294	D	98.1	Very high	97.3	Very high	53 Å²	53	57.4 Å²	57.4	28%	0.283	30%	0.304	S	S	.	.	H	α-helix	trans	-56.9	-47.1	179.5	-70.5	-17.3	0	0	0	111.5	K271 S290 L296 V297 E298	K271-D294 WeakPolarHBondContact CD-OD1 3.32Å; K271-D294 WeakPolarHBondContact CE-OD1 3.45Å; K271-D294 IonicContact NZ-OD1 3.56Å; K271-D294 PolarHBondContact NZ-OD1 3.36Å; S290-D294 VanDerWaalsContact O-CG 3.31Å; S290-D294 PolarHBondContact O-N 2.96Å; D294-L296 PolarHBondContact O-N 3.33Å; D294-V297 PolarHBondContact O-N 3.19Å; D294-E298 WeakPolarHBondContact O-CB 3.41Å; D294-E298 PolarHBondContact O-N 2.88Å
295	K	98.4	Very high	97.4	Very high	128 Å²	128	61 Å²	61	56%	0.557	32%	0.318	S	S	*	.	H	α-helix	trans	-60.9	-41.7	178.5	-177.6	177.4	179.3	178.3	0	112.8	P291 L293 Q299	P291-K295 WeakPolarHBondContact O-CB 3.33Å; P291-K295 PolarHBondContact O-N 2.97Å; L293-K295 VanDerWaalsContact C-N 3.33Å; L293-K295 PolarHBondContact O-N 2.67Å; K295-Q299 WeakPolarHBondContact O-CB 3.3Å; K295-Q299 WeakPolarHBondContact O-CG 3.49Å; K295-Q299 PolarHBondContact O-N 3.46Å; K295-Q299 VanDerWaalsContact O-N 3.1Å
296	L	98.5	Very high	97.5	Very high	22 Å²	22	59.8 Å²	59.8	12%	0.115	31%	0.309	C	S	.	.	H	α-helix	trans	-66.9	-41.8	178.5	-73.2	172.9	0	0	0	111.6	L267 M292 L293 D294 Q299 G300 K301 F310	L267-L296 HydrophobicContact CD1-CB 3.88Å; L267-L296 HydrophobicContact CD1-CD1 3.7Å; L267-L296 HydrophobicContact CD1-CG 4.41Å; M292-L296 PolarHBondContact O-N 3.15Å; L293-L296 PolarHBondContact O-N 3.18Å; D294-L296 PolarHBondContact O-N 3.33Å; L296-Q299 PolarHBondContact O-N 2.89Å; L296-G300 PolarHBondContact O-N 3.48Å; L296-K301 HydrophobicContact CB-CB 4.39Å; L296-K301 HydrophobicContact CD2-CB 4.03Å; L296-K301 HydrophobicContact CD2-CD 3.79Å; L296-K301 WeakPolarHBondContact O-CB 3.5Å; L296-K301 PolarHBondContact O-N 3.13Å; L296-F310 HydrophobicContact CD1-CD1 3.52Å; L296-F310 HydrophobicContact CD1-CD2 4.3Å; L296-F310 HydrophobicContact CD1-CE1 3.38Å; L296-F310 HydrophobicContact CD1-CE2 4.2Å; L296-F310 HydrophobicContact CD1-CG 3.98Å; L296-F310 HydrophobicContact CD1-CZ 3.74Å
297	V	98.5	Very high	97.6	Very high	33 Å²	33	58 Å²	58	20%	0.2	31%	0.307	C	S	.	.	H	α-helix	trans	-65.5	-43.8	177.6	175.7	0	0	0	0	111.2	L267 D268 K271 L293 D294 Q299 G300 L302	L267-V297 HydrophobicContact CB-CG2 3.89Å; D268-V297 HydrophobicContact CB-CG1 4.3Å; K271-V297 HydrophobicContact CB-CG2 4.16Å; K271-V297 HydrophobicContact CD-CB 4.05Å; K271-V297 HydrophobicContact CD-CG1 4.1Å; K271-V297 HydrophobicContact CD-CG2 4.02Å; L293-V297 HydrophobicContact CD1-CG2 4.29Å; L293-V297 WeakPolarHBondContact O-CG2 3.3Å; L293-V297 PolarHBondContact O-N 3.45Å; D294-V297 PolarHBondContact O-N 3.19Å; V297-Q299 PolarHBondContact O-N 2.99Å; V297-G300 PolarHBondContact O-N 3.37Å; V297-L302 HydrophobicContact CB-CD2 4.39Å; V297-L302 HydrophobicContact CG1-CD2 4.2Å; V297-L302 HydrophobicContact CG2-CD2 4.3Å
298	E	98.3	Very high	97.8	Very high	172 Å²	172	60.6 Å²	60.6	80%	0.804	32%	0.319	S	S	*	.	H	α-helix	trans	-59.4	-35.6	175.7	-173.6	-180	-166.7	0	0	112.1	D294 G300	D294-E298 WeakPolarHBondContact O-CB 3.41Å; D294-E298 PolarHBondContact O-N 2.88Å; E298-G300 PolarHBondContact O-N 3.18Å
299	Q	98.4	Very high	97.9	Very high	101 Å²	101	58.9 Å²	58.9	47%	0.472	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	1.2	176.4	-69.7	177.1	0.7	0	0	114.2	K295 L296 V297 K301	K295-Q299 WeakPolarHBondContact O-CB 3.3Å; K295-Q299 WeakPolarHBondContact O-CG 3.49Å; K295-Q299 PolarHBondContact O-N 3.46Å; K295-Q299 VanDerWaalsContact O-N 3.1Å; L296-Q299 PolarHBondContact O-N 2.89Å; V297-Q299 PolarHBondContact O-N 2.99Å; Q299-K301 HydrophobicContact CB-CD 4.25Å; Q299-K301 HydrophobicContact CB-CG 4.02Å; Q299-K301 PolarHBondContact O-N 3.45Å
300	G	98.1	Very high	97.9	Very high	39 Å²	39	57.6 Å²	57.6	40%	0.402	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.7	16.4	-175.3	0	0	0	0	0	113.9	L296 V297 E298 L302 T306	L296-G300 PolarHBondContact O-N 3.48Å; V297-G300 PolarHBondContact O-N 3.37Å; E298-G300 PolarHBondContact O-N 3.18Å; G300-L302 PolarHBondContact O-N 2.85Å; G300-T306 PolarHBondContact O-OG1 3.01Å
301	K	98.5	Very high	98	Very high	59 Å²	59	59.2 Å²	59.2	26%	0.257	30%	0.304	S	S	.	.			trans	-88.1	80.9	177.2	-62.5	-176.5	179.7	-161.3	0	109.1	L267 L296 Q299 E308	L267-K301 WeakPolarHBondContact CD1-O 3.3Å; L296-K301 HydrophobicContact CB-CB 4.39Å; L296-K301 HydrophobicContact CD2-CB 4.03Å; L296-K301 HydrophobicContact CD2-CD 3.79Å; L296-K301 WeakPolarHBondContact O-CB 3.5Å; L296-K301 PolarHBondContact O-N 3.13Å; Q299-K301 HydrophobicContact CB-CD 4.25Å; Q299-K301 HydrophobicContact CB-CG 4.02Å; Q299-K301 PolarHBondContact O-N 3.45Å; K301-E308 CarbonylContact C-O 3.53Å; K301-E308 WeakPolarHBondContact CA-O 3.42Å; K301-E308 HydrophobicContact CD-CG 4.1Å; K301-E308 WeakPolarHBondContact CE-OE1 3.48Å; K301-E308 HydrophobicContact CG-CG 4.32Å; K301-E308 IonicContact NZ-OE1 3.51Å; K301-E308 PolarHBondContact NZ-OE1 3.46Å
302	L	98.4	Very high	98	Very high	27 Å²	27	62.4 Å²	62.4	14%	0.141	31%	0.308	C	S	.	.			trans	-95.7	7.5	-170.7	-50.2	-177.1	0	0	0	114.1	G266 L267 D268 V297 G300 K305 T306 E308	G266-L302 WeakPolarHBondContact CA-O 3.36Å; L267-L302 PolarHBondContact N-O 3.35Å; L267-L302 VanDerWaalsContact N-O 3.12Å; D268-L302 HydrophobicContact CB-CD1 4.3Å; D268-L302 HydrophobicContact CB-CD2 3.92Å; V297-L302 HydrophobicContact CB-CD2 4.39Å; V297-L302 HydrophobicContact CG1-CD2 4.2Å; V297-L302 HydrophobicContact CG2-CD2 4.3Å; G300-L302 PolarHBondContact O-N 2.85Å; L302-K305 HydrophobicContact CB-CD 4.45Å; L302-K305 VanDerWaalsContact CB-CE 3.48Å; L302-K305 HydrophobicContact CB-CG 4.15Å; L302-T306 WeakPolarHBondContact CA-OG1 3.24Å; L302-T306 HydrophobicContact CB-CG2 3.91Å; L302-T306 HydrophobicContact CD1-CG2 4.06Å; L302-T306 HydrophobicContact CG-CG2 3.99Å; L302-T306 PolarHBondContact N-OG1 3.27Å; L302-E308 PolarHBondContact N-O 3.07Å; L302-E308 VanDerWaalsContact N-O 3.08Å
303	G	98.2	Very high	97.9	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	96.7	-144.3	-178.2	0	0	0	0	0	112.8	D263 K305 T306 G307 E308	D263-G303 WeakPolarHBondContact O-CA 3.18Å; G303-K305 PolarHBondContact O-N 3.19Å; G303-K305 VanDerWaalsContact O-N 3.14Å; G303-T306 PolarHBondContact N-OG1 3.21Å; G303-T306 PolarHBondContact O-N 3.42Å; G303-T306 VanDerWaalsContact O-N 3.08Å; G303-T306 PolarHBondContact O-OG1 3.21Å; G303-G307 PolarHBondContact O-N 3.06Å; G303-G307 VanDerWaalsContact O-N 3.11Å; G303-E308 PolarHBondContact N-O 2.72Å; G303-E308 PolarHBondContact O-N 3Å
304	R	97.1	Very high	97.2	Very high	126 Å²	126	75.6 Å²	75.6	48%	0.475	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-57.4	-34.5	-172.2	-72.2	-175.5	178	-116.2	-0.3	113.3	D263 T306 G307 Y313	D263-R304 PolarHBondContact O-N 3.37Å; R304-T306 PolarHBondContact O-N 3.44Å; R304-G307 PolarHBondContact O-N 2.8Å; R304-Y313 HydrophobicContact CG-CD1 3.77Å; R304-Y313 HydrophobicContact CG-CD2 4.03Å; R304-Y313 HydrophobicContact CG-CE1 3.66Å; R304-Y313 HydrophobicContact CG-CE2 3.94Å; R304-Y313 HydrophobicContact CG-CG 3.95Å
305	K	95.7	Very high	97.2	Very high	116 Å²	116	76.8 Å²	76.8	50%	0.504	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-70.6	-17.6	-177.9	66.5	177	-177.4	179	0	114.3	D268 L302 G303	D268-K305 WeakPolarHBondContact OD1-CE 3.48Å; D268-K305 IonicContact OD1-NZ 3.99Å; D268-K305 PolarHBondContact OD1-NZ 3.06Å; D268-K305 IonicContact OD2-NZ 2.85Å; D268-K305 PolarHBondContact OD2-NZ 3.21Å; L302-K305 HydrophobicContact CB-CD 4.45Å; L302-K305 VanDerWaalsContact CB-CE 3.48Å; L302-K305 HydrophobicContact CB-CG 4.15Å; G303-K305 PolarHBondContact O-N 3.19Å; G303-K305 VanDerWaalsContact O-N 3.14Å
306	T	97.7	Very high	97.1	Very high	69 Å²	69	74.1 Å²	74.1	42%	0.423	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-117.9	6.6	176.9	49	0	0	0	0	112.7	G300 L302 G303 R304 E308	G300-T306 PolarHBondContact O-OG1 3.01Å; L302-T306 WeakPolarHBondContact CA-OG1 3.24Å; L302-T306 HydrophobicContact CB-CG2 3.91Å; L302-T306 HydrophobicContact CD1-CG2 4.06Å; L302-T306 HydrophobicContact CG-CG2 3.99Å; L302-T306 PolarHBondContact N-OG1 3.27Å; G303-T306 PolarHBondContact N-OG1 3.21Å; G303-T306 PolarHBondContact O-N 3.42Å; G303-T306 VanDerWaalsContact O-N 3.08Å; G303-T306 PolarHBondContact O-OG1 3.21Å; R304-T306 PolarHBondContact O-N 3.44Å; T306-E308 PolarHBondContact O-N 3.48Å; T306-E308 PolarHBondContact OG1-O 3.49Å; T306-E308 VanDerWaalsContact OG1-O 3.1Å
307	G	97.7	Very high	97	Very high	29 Å²	29	76.9 Å²	76.9	30%	0.299	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.3	-9.9	-178	0	0	0	0	0	114.9	G303 R304 Y313	G303-G307 PolarHBondContact O-N 3.06Å; G303-G307 VanDerWaalsContact O-N 3.11Å; R304-G307 PolarHBondContact O-N 2.8Å; G307-Y313 WeakPolarHBondContact O-CA 3.15Å; G307-Y313 PolarHBondContact O-N 3.12Å; G307-Y313 VanDerWaalsContact O-O 3.09Å
308	E	98.4	Very high	96.9	Very high	56 Å²	56	79.5 Å²	79.5	26%	0.262	38%	0.381	S	S	.	.	B	Isolated β-bridge	trans	-152	137.3	177.9	-171.8	171.2	164.8	0	0	110.4	K301 L302 G303 T306 F311 K312	K301-E308 CarbonylContact C-O 3.53Å; K301-E308 WeakPolarHBondContact CA-O 3.42Å; K301-E308 HydrophobicContact CD-CG 4.1Å; K301-E308 WeakPolarHBondContact CE-OE1 3.48Å; K301-E308 HydrophobicContact CG-CG 4.32Å; K301-E308 IonicContact NZ-OE1 3.51Å; K301-E308 PolarHBondContact NZ-OE1 3.46Å; L302-E308 PolarHBondContact N-O 3.07Å; L302-E308 VanDerWaalsContact N-O 3.08Å; G303-E308 PolarHBondContact N-O 2.72Å; G303-E308 PolarHBondContact O-N 3Å; T306-E308 PolarHBondContact O-N 3.48Å; T306-E308 PolarHBondContact OG1-O 3.49Å; T306-E308 VanDerWaalsContact OG1-O 3.1Å; E308-F311 WeakPolarHBondContact CA-O 3.37Å; E308-K312 HydrophobicContact CG-CG 3.93Å; E308-K312 WeakPolarHBondContact OE1-CE 3.39Å
309	G	98.1	Very high	96.8	Very high	4 Å²	4	73.8 Å²	73.8	4%	0.041	35%	0.354	C	S	.	.	S	Bend	trans	-144.4	-117.2	169.3	0	0	0	0	0	108.5	D263 F311	D263-G309 WeakPolarHBondContact OD1-CA 3.34Å; G309-F311 VanDerWaalsContact C-N 3.32Å; G309-F311 PolarHBondContact N-O 3.48Å
310	F	98.4	Very high	96.7	Very high	19 Å²	19	71.9 Å²	71.9	8%	0.083	35%	0.346	C	S	.	.	S	Bend	trans	-66.8	-37.5	166.2	-71.8	-72.3	0	0	0	111.9	I231 K241 F259 D263 L267 M292 L296	I231-F310 HydrophobicContact CD1-CE2 4.04Å; I231-F310 HydrophobicContact CD1-CZ 3.69Å; I231-F310 HydrophobicContact CG1-CE1 4.35Å; I231-F310 HydrophobicContact CG1-CE2 4.2Å; I231-F310 HydrophobicContact CG1-CZ 3.64Å; I231-F310 HydrophobicContact CG2-CZ 4.38Å; K241-F310 HydrophobicContact CD-CB 4.25Å; K241-F310 WeakPolarHBondContact CE-O 3.46Å; F259-F310 HydrophobicContact CB-CB 4.2Å; F259-F310 HydrophobicContact CB-CD2 4.45Å; F259-F310 HydrophobicContact CB-CG 4.4Å; F259-F310 HydrophobicContact CD1-CB 4.06Å; F259-F310 AromaticContact CD1-CD1 3.59Å; F259-F310 HydrophobicContact CD1-CD1 3.59Å; F259-F310 AromaticContact CD1-CD2 3.73Å; F259-F310 HydrophobicContact CD1-CD2 3.73Å; F259-F310 AromaticContact CD1-CE1 3.88Å; F259-F310 HydrophobicContact CD1-CE1 3.88Å; F259-F310 AromaticContact CD1-CE2 3.99Å; F259-F310 HydrophobicContact CD1-CE2 3.99Å; F259-F310 AromaticContact CD1-CG 3.52Å; F259-F310 HydrophobicContact CD1-CG 3.52Å; F259-F310 HydrophobicContact CD1-CZ 4.09Å; F259-F310 AromaticContact CE1-CD1 3.88Å; F259-F310 HydrophobicContact CE1-CD1 3.88Å; F259-F310 AromaticContact CE1-CE1 3.83Å; F259-F310 HydrophobicContact CE1-CE1 3.83Å; F259-F310 HydrophobicContact CE1-CG 4.27Å; F259-F310 HydrophobicContact CE1-CZ 4.18Å; F259-F310 HydrophobicContact CG-CG 4.41Å; D263-F310 PolarHBondContact OD1-N 2.67Å; D263-F310 PolarHBondContact OD2-N 3.1Å; L267-F310 HydrophobicContact CD1-CD2 3.87Å; L267-F310 HydrophobicContact CD1-CE2 3.8Å; L267-F310 HydrophobicContact CD1-CZ 4.46Å; L267-F310 HydrophobicContact CD2-CD2 3.8Å; L267-F310 HydrophobicContact CD2-CE2 3.57Å; L267-F310 HydrophobicContact CG-CE2 4.38Å; M292-F310 HydrophobicContact CG-CE1 4.03Å; M292-F310 HydrophobicContact SD-CE1 3.79Å; L296-F310 HydrophobicContact CD1-CD1 3.52Å; L296-F310 HydrophobicContact CD1-CD2 4.3Å; L296-F310 HydrophobicContact CD1-CE1 3.38Å; L296-F310 HydrophobicContact CD1-CE2 4.2Å; L296-F310 HydrophobicContact CD1-CG 3.98Å; L296-F310 HydrophobicContact CD1-CZ 3.74Å
311	F	98.4	Very high	96.6	Very high	34 Å²	34	74.3 Å²	74.3	15%	0.149	34%	0.342	C	S	.	.	S	Bend	trans	-110	164.2	172.8	-57	-70.1	0	0	0	112.1	K241 E242 D245 F259 E260 D263 E308 G309 Y313	K241-F311 HydrophobicContact CB-CZ 4.43Å; K241-F311 HydrophobicContact CD-CD1 4.48Å; K241-F311 HydrophobicContact CD-CE1 4.09Å; K241-F311 HydrophobicContact CG-CE1 3.9Å; K241-F311 HydrophobicContact CG-CZ 4.16Å; E242-F311 HydrophobicContact CG-CE1 3.98Å; D245-F311 WeakPolarHBondContact OD2-CE2 3.23Å; F259-F311 HydrophobicContact CB-CD2 4.41Å; F259-F311 HydrophobicContact CB-CE2 3.53Å; F259-F311 HydrophobicContact CB-CZ 4.02Å; E260-F311 HydrophobicContact CG-CD2 4.16Å; E260-F311 HydrophobicContact CG-CE2 3.87Å; D263-F311 PolarHBondContact OD2-N 2.89Å; E308-F311 WeakPolarHBondContact CA-O 3.37Å; G309-F311 VanDerWaalsContact C-N 3.32Å; G309-F311 PolarHBondContact N-O 3.48Å; F311-Y313 HydrophobicContact CB-CE1 4.47Å; F311-Y313 HydrophobicContact CB-CE2 4.04Å; F311-Y313 WeakPolarHBondContact O-CE2 3.28Å
312	K	97.6	Very high	96.5	Very high	162 Å²	162	75.5 Å²	75.5	70%	0.704	35%	0.349	S	S	*	.	B	Isolated β-bridge	trans	-95.8	131	171.2	-70	-175.5	175.2	-175.2	0	110.2	E308	E308-K312 HydrophobicContact CG-CG 3.93Å; E308-K312 WeakPolarHBondContact OE1-CE 3.39Å
313	Y	95.7	Very high	96.3	Very high	50 Å²	50	79.5 Å²	79.5	20%	0.196	37%	0.366	C	S	.	.			trans	-115.7	136.2	-179.9	-57.1	-81.8	0	0	0	109.6	D263 R304 G307 F311	D263-Y313 HydrophobicContact CB-CE2 3.79Å; D263-Y313 WeakPolarHBondContact CB-OH 3.39Å; D263-Y313 VanDerWaalsContact CG-OH 3.31Å; D263-Y313 WeakPolarHBondContact OD2-CE2 3.42Å; D263-Y313 PolarHBondContact OD2-OH 3.39Å; R304-Y313 HydrophobicContact CG-CD1 3.77Å; R304-Y313 HydrophobicContact CG-CD2 4.03Å; R304-Y313 HydrophobicContact CG-CE1 3.66Å; R304-Y313 HydrophobicContact CG-CE2 3.94Å; R304-Y313 HydrophobicContact CG-CG 3.95Å; G307-Y313 WeakPolarHBondContact O-CA 3.15Å; G307-Y313 PolarHBondContact O-N 3.12Å; G307-Y313 VanDerWaalsContact O-O 3.09Å; F311-Y313 HydrophobicContact CB-CE1 4.47Å; F311-Y313 HydrophobicContact CB-CE2 4.04Å; F311-Y313 WeakPolarHBondContact O-CE2 3.28Å
314	K	83.1	Confident	96.2	Very high	289 Å²	289	86.7 Å²	86.7	100%	1.257	40%	0.399	S	S	*	.			trans	-90.2	0	176.5	-66	-176.8	179.8	-178.9	0	111

Retrieved 314 of 314 residues in 99.2 ms (Link to these results)

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