A0A087YIX8_POEFO Loading...

5',3'-nucleotidase, mitochondrial

AlphaFold DB , UniProt , Accession A0A087YIX8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 230 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	37.7	Very low	33.3	Very low	238 Å²	238	157.5 Å²	157.5	100%	1.172	87%	0.868	S	S	*	*				0	89.9	0	-105.1	176.7	160.6	0	0	107.6
2	L	32.3	Very low	32.9	Very low	178 Å²	178	150.8 Å²	150.8	93%	0.932	86%	0.861	S	S	*	*			trans	-118.7	120	166.1	-107.9	85	0	0	0	106.7
3	L	31.4	Very low	33.7	Very low	164 Å²	164	159.5 Å²	159.5	86%	0.859	87%	0.872	S	S	*	*			trans	-69.8	132.7	-175.3	-75.3	93.4	0	0	0	110.6
4	C	27	Very low	33.6	Very low	130 Å²	130	152.4 Å²	152.4	88%	0.878	85%	0.853	S	S	*	*			trans	-87.7	112.3	165	-158.8	0	0	0	0	107.9
5	T	35.1	Very low	34.4	Very low	130 Å²	130	157 Å²	157	80%	0.798	86%	0.86	S	S	*	*			trans	-78.9	128.2	175.9	40.6	0	0	0	0	110.9
6	T	37	Very low	34.3	Very low	135 Å²	135	154.3 Å²	154.3	83%	0.828	85%	0.85	S	S	*	*			trans	-75.2	137.3	173.3	37.4	0	0	0	0	111.5
7	A	32.9	Very low	34.9	Very low	106 Å²	106	155.8 Å²	155.8	88%	0.876	86%	0.856	S	S	*	*			trans	-133.2	120.8	160.2	0	0	0	0	0	109.3
8	T	31.3	Very low	35	Very low	128 Å²	128	155 Å²	155	79%	0.785	85%	0.849	S	S	*	*			trans	-106.4	127.4	176	-40.8	0	0	0	0	108.4
9	R	32.6	Very low	35.1	Very low	221 Å²	221	153.2 Å²	153.2	83%	0.834	85%	0.846	S	S	*	*				166.2	137.7	122.2	-96.2	175.9	176.9	-144.4	1.8	115.3
10	L	30.3	Very low	35.4	Very low	131 Å²	131	151 Å²	151	69%	0.686	83%	0.832	S	S	*	*			trans	75.9	102.7	137.5	-76.9	153.2	0	0	0	121.9
11	L	38.9	Very low	35.7	Very low	172 Å²	172	149.5 Å²	149.5	90%	0.901	83%	0.83	S	S	*	*			trans	24	115.9	133.3	-73.6	160.4	0	0	0	119.4
12	G	28.2	Very low	35.8	Very low	76 Å²	76	146 Å²	146	78%	0.784	81%	0.809	S	S	*	*			trans	-159.7	115.4	156.7	0	0	0	0	0	110.7	G14	G12-G14 PolarHBondContact O-N 3.1Å
13	R	43.4	Very low	36	Very low	265 Å²	265	146.9 Å²	146.9	100%	1	81%	0.805	S	S	*	*			trans	-63	118.5	171.1	-96.4	176.7	167	-175	-2.4	109.4
14	G	31.8	Very low	36.6	Very low	59 Å²	59	148.9 Å²	148.9	61%	0.608	80%	0.801	S	S	*	*			trans	-158.5	116.2	166.6	0	0	0	0	0	109.5	G12 T16	G12-G14 PolarHBondContact O-N 3.1Å; G14-T16 PolarHBondContact O-N 3.34Å; G14-T16 VanDerWaalsContact O-N 3.1Å
15	K	45.8	Very low	37.4	Very low	222 Å²	222	148.5 Å²	148.5	97%	0.965	79%	0.789	S	S	*	*			trans	-70.8	99	170.4	-79.3	180	175.1	179.6	0	108.1
16	T	33	Very low	37.8	Very low	114 Å²	114	145.3 Å²	145.3	70%	0.699	78%	0.776	S	S	*	*			trans	-106.9	111	164.2	23.4	0	0	0	0	108.6	G14 L18	G14-T16 PolarHBondContact O-N 3.34Å; G14-T16 VanDerWaalsContact O-N 3.1Å; T16-L18 VanDerWaalsContact C-N 3.27Å; T16-L18 PolarHBondContact O-N 3.04Å
17	L	44.6	Very low	38.5	Very low	180 Å²	180	142 Å²	142	94%	0.942	75%	0.753	S	S	*	*			trans	-70.9	86.4	164.2	-75.8	162	0	0	0	107.6
18	L	35.9	Very low	39.2	Very low	141 Å²	141	143.4 Å²	143.4	74%	0.738	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-96	130.8	163.2	-68.9	171.6	0	0	0	107.4	T16 D20	T16-L18 VanDerWaalsContact C-N 3.27Å; T16-L18 PolarHBondContact O-N 3.04Å; L18-D20 PolarHBondContact O-N 3.18Å
19	P	37.4	Very low	40.1	Very low	121 Å²	121	142.4 Å²	142.4	79%	0.786	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-67.2	117	169.9	19.6	-15.2	0	0	0	107.7	P21	P19-P21 WeakPolarHBondContact O-CD 3.39Å
20	D	42.3	Very low	40.8	Very low	108 Å²	108	135.7 Å²	135.7	58%	0.578	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-58.3	118.2	175.3	-170.7	-9.2	0	0	0	109.5	L18 F22	L18-D20 PolarHBondContact O-N 3.18Å; D20-F22 PolarHBondContact O-N 2.96Å; D20-F22 WeakPolarHBondContact OD1-CB 3.49Å; D20-F22 PolarHBondContact OD1-N 3.19Å
21	P	41.5	Very low	41.8	Very low	120 Å²	120	135.2 Å²	135.2	78%	0.779	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	-8.5	177	27.8	-31.6	0	0	0	112.3	P19	P19-P21 WeakPolarHBondContact O-CD 3.39Å
22	F	38.1	Very low	42.2	Very low	166 Å²	166	130.7 Å²	130.7	73%	0.728	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104	49.4	174.5	-61.5	-82	0	0	0	112.2	D20 R24	D20-F22 PolarHBondContact O-N 2.96Å; D20-F22 WeakPolarHBondContact OD1-CB 3.49Å; D20-F22 PolarHBondContact OD1-N 3.19Å; F22-R24 PolarHBondContact O-N 2.8Å
23	K	38	Very low	43.2	Very low	196 Å²	196	133.1 Å²	133.1	85%	0.852	72%	0.715	S	S	*	*			trans	-63.3	84.2	152.7	-103.3	-175.3	176.7	-178.7	0	107.6	I25	K23-I25 PolarHBondContact O-N 3.23Å
24	R	43	Very low	43.7	Very low	206 Å²	206	128 Å²	128	78%	0.777	71%	0.708	S	S	*	*			trans	-44.6	126.2	162.4	-81.5	178.8	168.3	-179.2	-5.9	106.3	F22 A26	F22-R24 PolarHBondContact O-N 2.8Å; R24-A26 PolarHBondContact O-N 2.73Å
25	I	44.8	Very low	44.8	Very low	121 Å²	121	127.8 Å²	127.8	62%	0.621	70%	0.701	S	S	*	*			trans	-71.4	76	155.2	-59.8	173.9	0	0	0	103.5	K23 I27 D157	K23-I25 PolarHBondContact O-N 3.23Å; I25-I27 HydrophobicContact CG2-CG1 4.32Å; I25-I27 PolarHBondContact O-N 3.36Å; I25-D157 VanDerWaalsContact O-OD2 3.12Å
26	A	42.2	Very low	45.6	Very low	64 Å²	64	120.1 Å²	120.1	53%	0.529	68%	0.684	S	S	.	*			trans	-61.7	100.3	162.6	0	0	0	0	0	104	R24 N28	R24-A26 PolarHBondContact O-N 2.73Å; A26-N28 PolarHBondContact O-N 2.9Å
27	I	52.7	Low	48	Very low	66 Å²	66	123 Å²	123	34%	0.338	69%	0.687	S	S	.	*			trans	-58.2	103.5	163.2	-61.1	177.1	0	0	0	103	I25 M29 F158	I25-I27 HydrophobicContact CG2-CG1 4.32Å; I25-I27 PolarHBondContact O-N 3.36Å; I27-M29 HydrophobicContact CG2-CG 4.24Å; I27-M29 PolarHBondContact O-N 2.81Å; I27-F158 HydrophobicContact CD1-CD2 4.49Å
28	N	47.3	Very low	50.4	Low	135 Å²	135	118.7 Å²	118.7	72%	0.722	66%	0.658	S	S	*	*			trans	-75.7	78.3	-165.5	-142.2	15.6	0	0	0	106.8	A26 S30	A26-N28 PolarHBondContact O-N 2.9Å; N28-S30 PolarHBondContact O-N 3.43Å
29	M	51.1	Low	53.3	Low	106 Å²	106	112.3 Å²	112.3	52%	0.522	63%	0.625	S	S	.	*			trans	-77.6	56.3	169.5	-62.4	-145.3	-66.9	0	0	108.3	I27 S31	I27-M29 HydrophobicContact CG2-CG 4.24Å; I27-M29 PolarHBondContact O-N 2.81Å; M29-S31 PolarHBondContact O-N 2.94Å
30	S	45.9	Very low	56.2	Low	81 Å²	81	111.2 Å²	111.2	57%	0.566	61%	0.605	S	S	*	*			trans	-71.4	122.1	173.6	65.6	0	0	0	0	108	N28 S32	N28-S30 PolarHBondContact O-N 3.43Å; S30-S32 PolarHBondContact O-N 2.84Å
31	S	52.8	Low	58.9	Low	121 Å²	121	106.1 Å²	106.1	85%	0.846	58%	0.578	S	S	*	*			trans	-63	85.3	168.1	59.8	0	0	0	0	109.5	M29 S33	M29-S31 PolarHBondContact O-N 2.94Å; S31-S33 PolarHBondContact O-N 3.38Å
32	S	45.7	Very low	61.6	Low	76 Å²	76	100.4 Å²	100.4	53%	0.531	54%	0.541	S	S	.	.			trans	-79	109.3	165.2	172.8	0	0	0	0	107.2	S30 D34 A35	S30-S32 PolarHBondContact O-N 2.84Å; S32-D34 PolarHBondContact O-N 2.76Å; S32-A35 PolarHBondContact O-N 2.84Å
33	S	48.8	Very low	64.5	Low	128 Å²	128	92.5 Å²	92.5	90%	0.895	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	21.7	-178.2	54.5	0	0	0	0	114.1	S31	S31-S33 PolarHBondContact O-N 3.38Å
34	D	55.9	Low	67.4	Low	157 Å²	157	83.6 Å²	83.6	84%	0.84	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-147.5	19.6	175.7	-146.6	17.3	0	0	0	113.5	S32	S32-D34 PolarHBondContact O-N 2.76Å
35	A	53.1	Low	70.1	Confident	55 Å²	55	73.8 Å²	73.8	46%	0.455	43%	0.431	S	S	.	.			trans	-91.2	135.3	-178.2	0	0	0	0	0	111.6	S32	S32-A35 PolarHBondContact O-N 2.84Å
36	G	63.7	Low	72.7	Confident	61 Å²	61	69.2 Å²	69.2	63%	0.629	41%	0.408	S	S	*	.			trans	-51.7	162.9	172.6	0	0	0	0	0	112.9	R38	G36-R38 PolarHBondContact O-N 3.13Å
37	K	83.8	Confident	75.4	Confident	175 Å²	175	66.5 Å²	66.5	76%	0.761	39%	0.386	S	S	*	.			trans	-57.9	107.9	-178.8	-174.7	-172.4	172.1	-162.4	0	109.9	D174	K37-D174 WeakPolarHBondContact CE-OD1 3.14Å; K37-D174 IonicContact NZ-OD1 2.86Å; K37-D174 PolarHBondContact NZ-OD1 3.44Å
38	R	94.1	Very high	77.6	Confident	88 Å²	88	63.3 Å²	63.3	33%	0.332	37%	0.37	S	S	.	.			trans	-63.1	138.3	173.1	-61.7	176.5	61.1	82.9	-2.2	110	G36 R40 D126 T127 D128	G36-R38 PolarHBondContact O-N 3.13Å; R38-R40 PolarHBondContact O-N 3.3Å; R38-D126 HydrophobicContact CG-CB 4.43Å; R38-D126 IonicContact NH1-OD1 3.61Å; R38-T127 PolarHBondContact NH2-O 2.89Å; R38-D128 IonicContact CZ-OD1 3.61Å; R38-D128 IonicContact NE-OD1 3.92Å; R38-D128 PolarHBondContact NE-OD1 2.96Å; R38-D128 IonicContact NE-OD2 3.21Å; R38-D128 PolarHBondContact NE-OD2 3.1Å; R38-D128 IonicContact NH2-OD1 3.06Å; R38-D128 PolarHBondContact NH2-OD1 3.1Å
39	L	97.4	Very high	80	Confident	8 Å²	8	57 Å²	57	4%	0.042	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	124.4	176.9	-179.4	67.2	0	0	0	109.6	V41 D126 T127 D128 D174 L225 K228 R229	L39-V41 HydrophobicContact CD2-CG2 4.27Å; L39-V41 HydrophobicContact CG-CG2 4.19Å; L39-D126 PolarHBondContact N-O 2.69Å; L39-T127 CarbonylContact O-C 3.53Å; L39-T127 WeakPolarHBondContact O-CA 3.4Å; L39-D128 PolarHBondContact O-N 2.92Å; L39-D174 HydrophobicContact CD1-CB 3.56Å; L39-L225 HydrophobicContact CD2-CB 3.78Å; L39-L225 HydrophobicContact CD2-CD2 4.26Å; L39-L225 HydrophobicContact CD2-CG 3.68Å; L39-L225 WeakPolarHBondContact CD2-O 3.35Å; L39-K228 HydrophobicContact CD1-CB 3.48Å; L39-K228 VanDerWaalsContact CD1-CB 3.48Å; L39-K228 HydrophobicContact CD1-CG 4.4Å; L39-K228 HydrophobicContact CD2-CB 4.49Å; L39-R229 HydrophobicContact CD2-CG 4.37Å
40	R	98.4	Very high	82.3	Confident	98 Å²	98	51.9 Å²	51.9	37%	0.37	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	117.6	177.8	-170.5	178.6	-59.9	146.5	3.7	111.7	R38 D128 F130 A172 D174 L175	R38-R40 PolarHBondContact O-N 3.3Å; R40-D128 WeakPolarHBondContact CA-O 3.47Å; R40-F130 HydrophobicContact CG-CD2 3.76Å; R40-F130 HydrophobicContact CG-CE2 3.78Å; R40-A172 WeakPolarHBondContact CD-O 3.31Å; R40-A172 PolarHBondContact NH1-O 3.35Å; R40-D174 PolarHBondContact N-OD2 3.25Å; R40-D174 PolarHBondContact O-N 3.28Å; R40-L175 PolarHBondContact O-N 3.33Å
41	V	98.8	Very high	84.8	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	122	179.8	-170.4	0	0	0	0	109.8	L39 V43 M121 T127 D128 V129 F130 L175 I177 L225	L39-V41 HydrophobicContact CD2-CG2 4.27Å; L39-V41 HydrophobicContact CG-CG2 4.19Å; V41-V43 HydrophobicContact CG1-CG2 3.98Å; V41-M121 HydrophobicContact CB-SD 3.86Å; V41-M121 HydrophobicContact CG1-CE 4.44Å; V41-M121 HydrophobicContact CG1-SD 3.76Å; V41-M121 HydrophobicContact CG2-SD 4.03Å; V41-T127 HydrophobicContact CG2-CG2 4.37Å; V41-D128 PolarHBondContact N-O 2.61Å; V41-V129 WeakPolarHBondContact O-CA 3.17Å; V41-F130 PolarHBondContact O-N 2.9Å; V41-L175 HydrophobicContact CG1-CB 4.22Å; V41-L175 HydrophobicContact CG2-CD1 4.34Å; V41-I177 HydrophobicContact CG1-CD1 4.09Å; V41-I177 HydrophobicContact CG1-CG1 4.43Å; V41-L225 HydrophobicContact CG2-CD1 4.18Å; V41-L225 HydrophobicContact CG2-CD2 4.09Å; V41-L225 HydrophobicContact CG2-CG 3.98Å
42	L	98.9	Very high	87	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	125.9	169.7	-52.2	179.8	0	0	0	108	F130 C132 I171 L175 L176 I177 W192	L42-F130 CarbonylContact C-O 3.53Å; L42-F130 WeakPolarHBondContact CA-O 2.78Å; L42-F130 HydrophobicContact CD2-CB 3.93Å; L42-F130 HydrophobicContact CD2-CD2 4.46Å; L42-C132 HydrophobicContact CB-CB 3.95Å; L42-C132 HydrophobicContact CD2-CB 4.38Å; L42-I171 HydrophobicContact CD1-CB 4.05Å; L42-I171 HydrophobicContact CD1-CG2 3.68Å; L42-I171 HydrophobicContact CD2-CG2 3.92Å; L42-I171 HydrophobicContact CG-CG2 4.48Å; L42-L175 WeakPolarHBondContact CB-O 3.47Å; L42-L175 PolarHBondContact N-O 2.81Å; L42-L176 HydrophobicContact CB-CB 4.36Å; L42-L176 HydrophobicContact CB-CD1 3.68Å; L42-L176 CarbonylContact O-C 3.6Å; L42-L176 WeakPolarHBondContact O-CA 3.13Å; L42-I177 PolarHBondContact O-N 3.05Å; L42-W192 HydrophobicContact CD1-CG 4.49Å
43	V	98.9	Very high	89.6	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	123	179.6	-173.3	0	0	0	0	108.1	V41 V48 L49 V118 V129 F130 I131 C132 W217	V41-V43 HydrophobicContact CG1-CG2 3.98Å; V43-V48 HydrophobicContact CG1-CG1 3.81Å; V43-L49 HydrophobicContact CG1-CD1 3.99Å; V43-L49 HydrophobicContact CG1-CD2 4.06Å; V43-L49 HydrophobicContact CG1-CG 3.98Å; V43-V118 HydrophobicContact CG1-CG2 4.15Å; V43-V118 HydrophobicContact CG2-CG2 4.5Å; V43-V129 HydrophobicContact CG2-CG1 3.9Å; V43-F130 PolarHBondContact N-O 2.67Å; V43-I131 CarbonylContact O-C 3.6Å; V43-I131 VanDerWaalsContact O-CA 3.31Å; V43-I131 WeakPolarHBondContact O-CA 2.88Å; V43-C132 PolarHBondContact O-N 3.1Å; V43-W217 HydrophobicContact CG1-CH2 4.04Å; V43-W217 HydrophobicContact CG1-CZ2 3.91Å
44	D	98.9	Very high	91.9	Very high	9 Å²	9	37.6 Å²	37.6	5%	0.048	20%	0.204	C	C	.	.			trans	-68.8	165	172.9	-168.4	29.7	0	0	0	111.6	V48 L49 K168 I177 D178	D44-V48 HydrophobicContact CB-CB 4.21Å; D44-V48 HydrophobicContact CB-CG2 3.89Å; D44-V48 WeakPolarHBondContact O-CB 3.29Å; D44-L49 WeakPolarHBondContact O-CG 3.35Å; D44-K168 IonicContact OD1-NZ 2.92Å; D44-K168 PolarHBondContact OD1-NZ 2.77Å; D44-K168 IonicContact OD2-NZ 2.73Å; D44-I177 WeakPolarHBondContact CB-O 3.28Å; D44-I177 PolarHBondContact N-O 3.04Å; D44-D178 HydrophobicContact CB-CB 4.11Å
45	M	98.9	Very high	94	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	17%	0.17	C	C	.	.	S	Bend	trans	-102.6	-61.9	-179.3	-170.1	176.3	-179.8	0	0	112.2	G47 V48 L49 A50 I131 T133 K146 W149 V150	M45-G47 PolarHBondContact O-N 3.3Å; M45-V48 PolarHBondContact O-N 3.14Å; M45-L49 CarbonylContact O-C 3.6Å; M45-L49 PolarHBondContact O-N 2.76Å; M45-A50 HydrophobicContact CG-CB 4.34Å; M45-A50 PolarHBondContact O-N 2.78Å; M45-I131 HydrophobicContact CB-CG2 4.18Å; M45-T133 HydrophobicContact CB-CG2 4.17Å; M45-T133 WeakPolarHBondContact CB-OG1 3.21Å; M45-T133 HydrophobicContact SD-CG2 4.13Å; M45-K146 HydrophobicContact CE-CB 4.13Å; M45-K146 HydrophobicContact CE-CG 4.08Å; M45-K146 HydrophobicContact SD-CB 3.87Å; M45-K146 HydrophobicContact SD-CD 4.08Å; M45-K146 HydrophobicContact SD-CG 3.7Å; M45-W149 HydrophobicContact CE-CB 3.66Å; M45-W149 HydrophobicContact CE-CD2 3.55Å; M45-W149 HydrophobicContact CE-CE3 3.42Å; M45-W149 VanDerWaalsContact CE-CE3 3.42Å; M45-W149 HydrophobicContact CE-CG 3.67Å; M45-W149 HydrophobicContact CE-CZ3 4.27Å; M45-V150 HydrophobicContact CE-CG2 4.43Å
46	D	98.9	Very high	96.2	Very high	24 Å²	24	28.1 Å²	28.1	13%	0.128	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-76.9	123.3	-173.2	-58.5	-32.4	0	0	0	108.8	V48 F52 K146	D46-V48 VanDerWaalsContact C-N 3.25Å; D46-V48 PolarHBondContact O-N 3.06Å; D46-F52 HydrophobicContact CB-CB 3.95Å; D46-F52 HydrophobicContact CB-CD2 4.1Å; D46-F52 HydrophobicContact CB-CG 4.32Å; D46-K146 IonicContact OD1-NZ 3.71Å; D46-K146 PolarHBondContact OD1-NZ 3.13Å; D46-K146 IonicContact OD2-NZ 3.99Å; D46-K146 PolarHBondContact OD2-NZ 2.87Å
47	G	98.7	Very high	97.8	Very high	7 Å²	7	26.3 Å²	26.3	7%	0.072	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.6	-3.2	-177.5	0	0	0	0	0	115.2	M45 A50 L111 F197	M45-G47 PolarHBondContact O-N 3.3Å; G47-A50 PolarHBondContact N-O 3Å; G47-L111 VanDerWaalsContact O-CD1 3.29Å; G47-L111 WeakPolarHBondContact O-CD1 3.25Å; G47-F197 WeakPolarHBondContact O-CD1 3.45Å
48	V	98.9	Very high	98.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.4	-46.6	175.7	176.4	0	0	0	0	112.5	V43 D44 M45 D46 L111 I177 D179 F197 W217	V43-V48 HydrophobicContact CG1-CG1 3.81Å; D44-V48 HydrophobicContact CB-CB 4.21Å; D44-V48 HydrophobicContact CB-CG2 3.89Å; D44-V48 WeakPolarHBondContact O-CB 3.29Å; M45-V48 PolarHBondContact O-N 3.14Å; D46-V48 VanDerWaalsContact C-N 3.25Å; D46-V48 PolarHBondContact O-N 3.06Å; V48-L111 VanDerWaalsContact C-CD1 3.45Å; V48-L111 WeakPolarHBondContact O-CD1 3.3Å; V48-I177 HydrophobicContact CG1-CG2 4.12Å; V48-D179 HydrophobicContact CG2-CB 4.17Å; V48-F197 HydrophobicContact CB-CG 4.46Å; V48-F197 HydrophobicContact CG1-CD2 4.22Å; V48-F197 HydrophobicContact CG1-CG 4.3Å; V48-F197 HydrophobicContact CG2-CB 3.72Å; V48-F197 HydrophobicContact CG2-CD1 4.15Å; V48-F197 HydrophobicContact CG2-CG 3.92Å; V48-W217 HydrophobicContact CG1-CZ2 3.7Å; V48-W217 PolarHBondContact O-NE1 3.29Å
49	L	98.9	Very high	98.8	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-38.6	175.5	-62.7	177.3	0	0	0	112.9	V43 D44 M45 P110 L111 V118 I131 W149 W217	V43-L49 HydrophobicContact CG1-CD1 3.99Å; V43-L49 HydrophobicContact CG1-CD2 4.06Å; V43-L49 HydrophobicContact CG1-CG 3.98Å; D44-L49 WeakPolarHBondContact O-CG 3.35Å; M45-L49 CarbonylContact O-C 3.6Å; M45-L49 PolarHBondContact O-N 2.76Å; L49-P110 CarbonylContact O-C 3.5Å; L49-P110 VanDerWaalsContact O-CA 3.25Å; L49-P110 WeakPolarHBondContact O-CA 3.28Å; L49-L111 PolarHBondContact O-N 3.39Å; L49-V118 HydrophobicContact CD1-CG2 4.31Å; L49-V118 HydrophobicContact CD2-CG2 3.56Å; L49-I131 HydrophobicContact CD1-CD1 4.42Å; L49-I131 HydrophobicContact CD1-CG1 4.36Å; L49-W149 HydrophobicContact CB-CH2 3.95Å; L49-W149 HydrophobicContact CB-CZ3 4.23Å; L49-W217 HydrophobicContact CD2-CZ2 3.89Å
50	A	98.9	Very high	98.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.113	C	C	.	.	B	Isolated β-bridge	trans	-112	130	-178.5	0	0	0	0	0	109.7	M45 G47 F52 L108 W149	M45-A50 HydrophobicContact CG-CB 4.34Å; M45-A50 PolarHBondContact O-N 2.78Å; G47-A50 PolarHBondContact N-O 3Å; A50-F52 VanDerWaalsContact C-N 3.29Å; A50-F52 PolarHBondContact O-N 3.26Å; A50-L108 HydrophobicContact CB-CB 3.96Å; A50-L108 HydrophobicContact CB-CD1 3.92Å; A50-W149 HydrophobicContact CB-CH2 4.29Å; A50-W149 HydrophobicContact CB-CZ2 3.77Å
51	D	98.9	Very high	98.9	Very high	48 Å²	48	25 Å²	25	26%	0.257	12%	0.12	S	C	.	.			trans	-75.8	77.8	-178.9	-178.6	16.2	0	0	0	111.8	G54 G55 D109 L111	D51-G54 PolarHBondContact OD1-N 3.2Å; D51-G54 WeakPolarHBondContact OD2-CA 3.3Å; D51-G55 PolarHBondContact O-N 3.35Å; D51-D109 WeakPolarHBondContact CB-O 3.39Å; D51-D109 PolarHBondContact N-O 3.41Å; D51-L111 HydrophobicContact CB-CD2 4.01Å; D51-L111 HydrophobicContact CB-CG 4.24Å
52	F	98.9	Very high	98.9	Very high	30 Å²	30	29 Å²	29	13%	0.132	15%	0.152	C	C	.	.	H	α-helix	trans	-60.9	-46.2	178.5	-177.3	-77.9	0	0	0	112	D46 A50 F56 V80 W99 F104 F105 L108	D46-F52 HydrophobicContact CB-CB 3.95Å; D46-F52 HydrophobicContact CB-CD2 4.1Å; D46-F52 HydrophobicContact CB-CG 4.32Å; A50-F52 VanDerWaalsContact C-N 3.29Å; A50-F52 PolarHBondContact O-N 3.26Å; F52-F56 HydrophobicContact CD1-CB 4.46Å; F52-F56 HydrophobicContact CE1-CB 4.29Å; F52-F56 WeakPolarHBondContact O-CB 3.39Å; F52-F56 PolarHBondContact O-N 2.83Å; F52-V80 HydrophobicContact CE1-CG2 4.32Å; F52-W99 HydrophobicContact CE1-CE3 4.44Å; F52-W99 HydrophobicContact CE2-CB 4.13Å; F52-W99 HydrophobicContact CZ-CB 3.99Å; F52-W99 HydrophobicContact CZ-CD2 4.07Å; F52-W99 AromaticContact CZ-CE3 3.99Å; F52-W99 HydrophobicContact CZ-CE3 3.99Å; F52-W99 HydrophobicContact CZ-CG 4.11Å; F52-F104 AromaticContact CD2-CE1 3.6Å; F52-F104 HydrophobicContact CD2-CE1 3.6Å; F52-F104 AromaticContact CD2-CZ 3.99Å; F52-F104 HydrophobicContact CD2-CZ 3.99Å; F52-F104 HydrophobicContact CE1-CZ 4.47Å; F52-F104 HydrophobicContact CE2-CD1 4.45Å; F52-F104 AromaticContact CE2-CE1 3.36Å; F52-F104 HydrophobicContact CE2-CE1 3.36Å; F52-F104 AromaticContact CE2-CZ 3.82Å; F52-F104 HydrophobicContact CE2-CZ 3.82Å; F52-F104 HydrophobicContact CG-CE1 4.43Å; F52-F104 HydrophobicContact CG-CZ 4.4Å; F52-F104 AromaticContact CZ-CE1 4Å; F52-F104 HydrophobicContact CZ-CE1 4Å; F52-F104 HydrophobicContact CZ-CZ 4.06Å; F52-F105 HydrophobicContact CD2-CE1 4.35Å; F52-F105 HydrophobicContact CE2-CE1 4.08Å; F52-F105 HydrophobicContact CE2-CZ 4.49Å; F52-L108 HydrophobicContact CB-CD1 4.41Å; F52-L108 HydrophobicContact CD2-CD1 4.46Å
53	E	98.9	Very high	98.8	Very high	13 Å²	13	35 Å²	35	6%	0.061	18%	0.175	C	C	.	.	H	α-helix	trans	-68.2	-44.8	-174.1	-70.2	-89	-162.6	0	0	111.4	L57 L72 R75 H201	E53-L57 WeakPolarHBondContact O-CB 3.37Å; E53-L57 PolarHBondContact O-N 2.83Å; E53-L72 HydrophobicContact CB-CD2 3.92Å; E53-R75 IonicContact OE1-CZ 2.69Å; E53-R75 IonicContact OE1-NE 3.91Å; E53-R75 PolarHBondContact OE1-NE 3.34Å; E53-R75 VanDerWaalsContact OE1-NE 3.09Å; E53-R75 IonicContact OE1-NH2 3.74Å; E53-R75 PolarHBondContact OE1-NH2 2.84Å; E53-R75 WeakPolarHBondContact OE2-CD 3.42Å; E53-R75 IonicContact OE2-CZ 2.89Å; E53-R75 IonicContact OE2-NE 3.9Å; E53-R75 PolarHBondContact OE2-NE 2.84Å; E53-R75 IonicContact OE2-NH2 3.89Å; E53-H201 IonicContact OE1-CE1 3.56Å; E53-H201 IonicContact OE1-CG 2.66Å; E53-H201 IonicContact OE1-ND1 2.61Å; E53-H201 PolarHBondContact OE1-ND1 2.7Å
54	G	98.8	Very high	98.8	Very high	15 Å²	15	37.1 Å²	37.1	16%	0.155	18%	0.183	C	C	.	.	H	α-helix	trans	-66.6	-44	175	0	0	0	0	0	112.5	D51 F56 L57 K58	D51-G54 PolarHBondContact OD1-N 3.2Å; D51-G54 WeakPolarHBondContact OD2-CA 3.3Å; G54-F56 PolarHBondContact O-N 3.29Å; G54-L57 PolarHBondContact O-N 2.93Å; G54-K58 VanDerWaalsContact O-CB 3.28Å; G54-K58 WeakPolarHBondContact O-CB 3.38Å; G54-K58 PolarHBondContact O-N 2.92Å
55	G	98.8	Very high	98.8	Very high	11 Å²	11	41.2 Å²	41.2	11%	0.113	21%	0.21	C	C	.	.	H	α-helix	trans	-60.8	-43.4	175.5	0	0	0	0	0	112.9	D51 K59	D51-G55 PolarHBondContact O-N 3.35Å; G55-K59 PolarHBondContact O-N 3.3Å; G55-K59 VanDerWaalsContact O-N 3.08Å
56	F	98.9	Very high	98.7	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.009	25%	0.25	C	C	.	.	H	α-helix	trans	-58.3	-56.2	172.4	164.3	-100.5	0	0	0	111.5	F52 G54 K58 K59 Y60 V80 Y84 A95 I98 W99 F104	F52-F56 HydrophobicContact CD1-CB 4.46Å; F52-F56 HydrophobicContact CE1-CB 4.29Å; F52-F56 WeakPolarHBondContact O-CB 3.39Å; F52-F56 PolarHBondContact O-N 2.83Å; G54-F56 PolarHBondContact O-N 3.29Å; F56-K58 VanDerWaalsContact C-N 3.3Å; F56-K58 PolarHBondContact O-N 3.24Å; F56-K59 PolarHBondContact O-N 3.43Å; F56-Y60 AromaticContact CE2-CD2 3.92Å; F56-Y60 HydrophobicContact CE2-CD2 3.92Å; F56-Y60 HydrophobicContact CE2-CG 4.35Å; F56-Y60 AromaticContact CZ-CD2 3.78Å; F56-Y60 HydrophobicContact CZ-CD2 3.78Å; F56-Y60 HydrophobicContact CZ-CG 4.04Å; F56-Y60 VanDerWaalsContact O-CB 3.25Å; F56-Y60 WeakPolarHBondContact O-CB 3.48Å; F56-Y60 PolarHBondContact O-N 3.4Å; F56-V80 HydrophobicContact CD1-CG1 3.8Å; F56-V80 HydrophobicContact CD2-CG1 4.41Å; F56-V80 HydrophobicContact CE1-CG1 3.32Å; F56-V80 HydrophobicContact CE2-CG1 3.99Å; F56-V80 HydrophobicContact CG-CG1 4.32Å; F56-V80 HydrophobicContact CZ-CG1 3.42Å; F56-V80 VanDerWaalsContact CZ-CG1 3.42Å; F56-Y84 HydrophobicContact CE1-CD2 4.31Å; F56-Y84 HydrophobicContact CE1-CE1 4.44Å; F56-Y84 AromaticContact CE1-CE2 3.44Å; F56-Y84 HydrophobicContact CE1-CE2 3.44Å; F56-Y84 VanDerWaalsContact CE1-CE2 3.44Å; F56-Y84 AromaticContact CE1-CZ 3.52Å; F56-Y84 WeakPolarHBondContact CE1-OH 3.45Å; F56-Y84 HydrophobicContact CZ-CD2 4.18Å; F56-Y84 HydrophobicContact CZ-CE1 4.12Å; F56-Y84 AromaticContact CZ-CE2 3.66Å; F56-Y84 HydrophobicContact CZ-CE2 3.66Å; F56-Y84 AromaticContact CZ-CZ 3.62Å; F56-A95 HydrophobicContact CE2-CB 3.86Å; F56-A95 HydrophobicContact CZ-CB 3.89Å; F56-I98 HydrophobicContact CD2-CB 3.97Å; F56-I98 HydrophobicContact CD2-CG1 4.37Å; F56-I98 HydrophobicContact CD2-CG2 3.88Å; F56-I98 HydrophobicContact CE2-CB 4.12Å; F56-I98 HydrophobicContact CE2-CG1 4.1Å; F56-I98 HydrophobicContact CE2-CG2 4.45Å; F56-W99 AromaticContact CD2-CE3 3.75Å; F56-W99 HydrophobicContact CD2-CE3 3.75Å; F56-W99 AromaticContact CD2-CZ3 3.83Å; F56-W99 HydrophobicContact CD2-CZ3 3.83Å; F56-W99 HydrophobicContact CE2-CE3 4.01Å; F56-W99 AromaticContact CE2-CZ3 3.67Å; F56-W99 HydrophobicContact CE2-CZ3 3.67Å; F56-W99 HydrophobicContact CZ-CZ3 4.46Å; F56-F104 HydrophobicContact CB-CE2 4.24Å; F56-F104 HydrophobicContact CB-CZ 4.14Å
57	L	98.9	Very high	98.7	Very high	22 Å²	22	49.3 Å²	49.3	12%	0.115	25%	0.253	C	S	.	.	H	α-helix	trans	-61.4	-41.2	-175	-179.6	59.2	0	0	0	111.6	E53 G54 Y60 R61 F69 I70 L72	E53-L57 WeakPolarHBondContact O-CB 3.37Å; E53-L57 PolarHBondContact O-N 2.83Å; G54-L57 PolarHBondContact O-N 2.93Å; L57-Y60 PolarHBondContact O-N 3.38Å; L57-R61 HydrophobicContact CD1-CG 4.01Å; L57-R61 WeakPolarHBondContact O-CB 3.23Å; L57-R61 WeakPolarHBondContact O-CG 3.39Å; L57-R61 PolarHBondContact O-N 3.41Å; L57-F69 HydrophobicContact CD1-CB 4.12Å; L57-F69 HydrophobicContact CD1-CD2 3.79Å; L57-F69 HydrophobicContact CD1-CG 4.25Å; L57-I70 WeakPolarHBondContact CD1-O 3.35Å; L57-L72 HydrophobicContact CB-CD2 4.43Å; L57-L72 HydrophobicContact CD2-CD2 4.02Å; L57-L72 HydrophobicContact CD2-CG 3.94Å
58	K	98.8	Very high	98.7	Very high	144 Å²	144	51.5 Å²	51.5	63%	0.626	27%	0.266	S	S	*	.	H	α-helix	trans	-58.6	-51.8	175.5	180	-179.5	177.4	-178.4	0	111.6	G54 F56 A62	G54-K58 VanDerWaalsContact O-CB 3.28Å; G54-K58 WeakPolarHBondContact O-CB 3.38Å; G54-K58 PolarHBondContact O-N 2.92Å; F56-K58 VanDerWaalsContact C-N 3.3Å; F56-K58 PolarHBondContact O-N 3.24Å; K58-A62 WeakPolarHBondContact O-CB 3.24Å; K58-A62 PolarHBondContact O-N 3.3Å
59	K	98.8	Very high	98.7	Very high	63 Å²	63	55.4 Å²	55.4	27%	0.274	28%	0.282	S	S	.	.	H	α-helix	trans	-70.6	-34.8	-178.9	-71.2	-170.8	175	-164.8	0	112.1	G55 F56 A62 R63 I98 G103 F104 D107	G55-K59 PolarHBondContact O-N 3.3Å; G55-K59 VanDerWaalsContact O-N 3.08Å; F56-K59 PolarHBondContact O-N 3.43Å; K59-A62 PolarHBondContact O-N 2.9Å; K59-R63 WeakPolarHBondContact O-CB 3.37Å; K59-R63 PolarHBondContact O-N 2.66Å; K59-I98 HydrophobicContact CB-CG2 3.71Å; K59-G103 PolarHBondContact NZ-O 2.89Å; K59-F104 HydrophobicContact CD-CD2 3.96Å; K59-D107 IonicContact NZ-OD2 3.09Å; K59-D107 PolarHBondContact NZ-OD2 2.82Å
60	Y	98.8	Very high	98.7	Very high	1 Å²	1	56.1 Å²	56.1	0%	0.004	29%	0.286	C	S	.	.	H	α-helix	trans	-61.2	-53.4	175.6	-175	-87.3	0	0	0	111.3	F56 L57 A62 R63 Y64 E67 F69 Y84 L91 K94 A95 I98	F56-Y60 AromaticContact CE2-CD2 3.92Å; F56-Y60 HydrophobicContact CE2-CD2 3.92Å; F56-Y60 HydrophobicContact CE2-CG 4.35Å; F56-Y60 AromaticContact CZ-CD2 3.78Å; F56-Y60 HydrophobicContact CZ-CD2 3.78Å; F56-Y60 HydrophobicContact CZ-CG 4.04Å; F56-Y60 VanDerWaalsContact O-CB 3.25Å; F56-Y60 WeakPolarHBondContact O-CB 3.48Å; F56-Y60 PolarHBondContact O-N 3.4Å; L57-Y60 PolarHBondContact O-N 3.38Å; Y60-A62 VanDerWaalsContact C-N 3.26Å; Y60-A62 PolarHBondContact O-N 2.96Å; Y60-R63 PolarHBondContact O-N 3.06Å; Y60-R63 VanDerWaalsContact O-N 3.17Å; Y60-Y64 AromaticContact CD2-CD2 3.91Å; Y60-Y64 HydrophobicContact CD2-CD2 3.91Å; Y60-Y64 HydrophobicContact CD2-CE2 4.48Å; Y60-Y64 AromaticContact CE2-CD2 3.83Å; Y60-Y64 HydrophobicContact CE2-CD2 3.83Å; Y60-Y64 HydrophobicContact CE2-CE2 4.42Å; Y60-Y64 HydrophobicContact CG-CD2 4.41Å; Y60-Y64 PolarHBondContact O-N 3Å; Y60-E67 HydrophobicContact CE1-CB 4.3Å; Y60-F69 HydrophobicContact CD1-CB 4.18Å; Y60-F69 HydrophobicContact CE1-CB 4.12Å; Y60-Y84 HydrophobicContact CD1-CE1 4.02Å; Y60-Y84 HydrophobicContact CD2-CE1 4.19Å; Y60-Y84 HydrophobicContact CE1-CD1 4.38Å; Y60-Y84 AromaticContact CE1-CE1 3.6Å; Y60-Y84 HydrophobicContact CE1-CE1 3.6Å; Y60-Y84 AromaticContact CE2-CD1 3.96Å; Y60-Y84 HydrophobicContact CE2-CD1 3.96Å; Y60-Y84 AromaticContact CE2-CE1 3.77Å; Y60-Y84 HydrophobicContact CE2-CE1 3.77Å; Y60-Y84 HydrophobicContact CG-CE1 4.31Å; Y60-Y84 AromaticContact CZ-CD1 3.79Å; Y60-Y84 AromaticContact CZ-CE1 3.44Å; Y60-Y84 VanDerWaalsContact CZ-CE1 3.44Å; Y60-L91 WeakPolarHBondContact OH-CD2 3.38Å; Y60-K94 HydrophobicContact CE2-CB 4.22Å; Y60-A95 HydrophobicContact CE2-CB 4.37Å; Y60-I98 HydrophobicContact CD2-CD1 4.49Å; Y60-I98 HydrophobicContact CD2-CG1 3.89Å; Y60-I98 HydrophobicContact CG-CG1 4.5Å
61	R	98.7	Very high	98.7	Very high	135 Å²	135	58.5 Å²	58.5	51%	0.509	30%	0.301	S	S	.	.	H	α-helix	trans	-62.9	-31.8	179.4	-70.1	-178.5	67.4	-164.4	0.1	113	L57 P65 F69	L57-R61 HydrophobicContact CD1-CG 4.01Å; L57-R61 WeakPolarHBondContact O-CB 3.23Å; L57-R61 WeakPolarHBondContact O-CG 3.39Å; L57-R61 PolarHBondContact O-N 3.41Å; R61-P65 WeakPolarHBondContact O-CA 3.47Å; R61-F69 HydrophobicContact CG-CB 4.38Å; R61-F69 HydrophobicContact CG-CD1 4.09Å; R61-F69 HydrophobicContact CG-CD2 4.43Å; R61-F69 HydrophobicContact CG-CG 4.04Å
62	A	98.7	Very high	98.7	Very high	83 Å²	83	59.1 Å²	59.1	69%	0.686	30%	0.304	S	S	*	.	H	α-helix	trans	-71.8	-39.4	175.6	0	0	0	0	0	112.6	K58 K59 Y60	K58-A62 WeakPolarHBondContact O-CB 3.24Å; K58-A62 PolarHBondContact O-N 3.3Å; K59-A62 PolarHBondContact O-N 2.9Å; Y60-A62 VanDerWaalsContact C-N 3.26Å; Y60-A62 PolarHBondContact O-N 2.96Å
63	R	98.7	Very high	98.6	Very high	127 Å²	127	62.8 Å²	62.8	48%	0.479	33%	0.325	S	S	.	.	H	α-helix	trans	-80.8	-31.8	-178.5	-171.8	175.5	-174.8	165.5	-1.2	113.1	K59 Y60 S97 I98 S101	K59-R63 WeakPolarHBondContact O-CB 3.37Å; K59-R63 PolarHBondContact O-N 2.66Å; Y60-R63 PolarHBondContact O-N 3.06Å; Y60-R63 VanDerWaalsContact O-N 3.17Å; R63-S97 PolarHBondContact NH1-O 2.83Å; R63-I98 HydrophobicContact CB-CD1 3.98Å; R63-I98 HydrophobicContact CG-CD1 4.38Å; R63-S101 PolarHBondContact NH1-OG 3.07Å
64	Y	98.4	Very high	98.6	Very high	43 Å²	43	66.4 Å²	66.4	17%	0.169	34%	0.344	C	S	.	.			trans	-129.4	66.7	-174.2	-58.7	-63.3	0	0	0	110.5	Y60 D66 E67 K94 S97 I98	Y60-Y64 AromaticContact CD2-CD2 3.91Å; Y60-Y64 HydrophobicContact CD2-CD2 3.91Å; Y60-Y64 HydrophobicContact CD2-CE2 4.48Å; Y60-Y64 AromaticContact CE2-CD2 3.83Å; Y60-Y64 HydrophobicContact CE2-CD2 3.83Å; Y60-Y64 HydrophobicContact CE2-CE2 4.42Å; Y60-Y64 HydrophobicContact CG-CD2 4.41Å; Y60-Y64 PolarHBondContact O-N 3Å; Y64-D66 VanDerWaalsContact C-N 3.28Å; Y64-D66 PolarHBondContact O-N 2.78Å; Y64-E67 HydrophobicContact CG-CG 4.36Å; Y64-E67 PolarHBondContact O-N 3.24Å; Y64-K94 HydrophobicContact CD1-CD 4.21Å; Y64-K94 HydrophobicContact CD2-CB 4.22Å; Y64-K94 HydrophobicContact CE1-CB 4.42Å; Y64-K94 HydrophobicContact CE1-CD 4.11Å; Y64-K94 HydrophobicContact CE1-CG 3.99Å; Y64-K94 HydrophobicContact CE2-CB 3.75Å; Y64-K94 HydrophobicContact CE2-CG 4.21Å; Y64-K94 WeakPolarHBondContact CE2-O 3.48Å; Y64-S97 PolarHBondContact OH-OG 2.84Å; Y64-I98 HydrophobicContact CD2-CD1 4.19Å; Y64-I98 HydrophobicContact CE2-CD1 3.8Å; Y64-I98 HydrophobicContact CE2-CG1 4.41Å
65	P	98.3	Very high	98.6	Very high	95 Å²	95	65.8 Å²	65.8	62%	0.617	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-27.8	-170.5	26.8	-35.9	0	0	0	114	R61	R61-P65 WeakPolarHBondContact O-CA 3.47Å
66	D	98.1	Very high	98.6	Very high	156 Å²	156	70.3 Å²	70.3	83%	0.834	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-3.5	-178.9	-54.4	-51.5	0	0	0	112.9	Y64	Y64-D66 VanDerWaalsContact C-N 3.28Å; Y64-D66 PolarHBondContact O-N 2.78Å
67	E	98.4	Very high	98.5	Very high	40 Å²	40	72.1 Å²	72.1	19%	0.187	37%	0.371	C	S	.	.	S	Bend	trans	-87.6	145.2	-179.1	-62.4	-63.4	-168	0	0	112.2	Y60 Y64 R88 L91 K94	Y60-E67 HydrophobicContact CE1-CB 4.3Å; Y64-E67 HydrophobicContact CG-CG 4.36Å; Y64-E67 PolarHBondContact O-N 3.24Å; E67-R88 IonicContact OE1-NH2 3.06Å; E67-R88 PolarHBondContact OE1-NH2 2.95Å; E67-R88 IonicContact OE2-CZ 3.09Å; E67-R88 IonicContact OE2-NH1 2.77Å; E67-R88 PolarHBondContact OE2-NH1 2.82Å; E67-R88 IonicContact OE2-NH2 2.64Å; E67-R88 PolarHBondContact OE2-NH2 2.76Å; E67-L91 HydrophobicContact CB-CD2 4.36Å; E67-L91 HydrophobicContact CG-CD2 4.37Å; E67-K94 HydrophobicContact CG-CD 4.45Å; E67-K94 IonicContact OE1-NZ 2.63Å; E67-K94 PolarHBondContact OE1-NZ 3.38Å
68	P	98.3	Very high	98.5	Very high	53 Å²	53	74 Å²	74	34%	0.344	38%	0.378	S	S	.	.			trans	-68.3	146	175	35.1	-37.6	0	0	0	109	L87 L91	P68-L87 HydrophobicContact CB-CD2 3.86Å; P68-L87 HydrophobicContact CB-CG 4.46Å; P68-L87 HydrophobicContact CG-CD2 3.88Å; P68-L87 HydrophobicContact CG-CG 4.21Å; P68-L91 HydrophobicContact CG-CD1 3.76Å
69	F	98.6	Very high	98.5	Very high	81 Å²	81	73.6 Å²	73.6	36%	0.355	37%	0.373	S	S	.	.			trans	-132.9	162.6	-177.8	64.4	-90.9	0	0	0	110.5	L57 Y60 R61 T71	L57-F69 HydrophobicContact CD1-CB 4.12Å; L57-F69 HydrophobicContact CD1-CD2 3.79Å; L57-F69 HydrophobicContact CD1-CG 4.25Å; Y60-F69 HydrophobicContact CD1-CB 4.18Å; Y60-F69 HydrophobicContact CE1-CB 4.12Å; R61-F69 HydrophobicContact CG-CB 4.38Å; R61-F69 HydrophobicContact CG-CD1 4.09Å; R61-F69 HydrophobicContact CG-CD2 4.43Å; R61-F69 HydrophobicContact CG-CG 4.04Å; F69-T71 HydrophobicContact CE2-CG2 4.17Å
70	I	98.8	Very high	98.5	Very high	17 Å²	17	70.9 Å²	70.9	9%	0.087	36%	0.361	C	S	.	.			trans	-103.6	125	177.7	-53.5	-178.2	0	0	0	107.6	L57 D74 R75 Q83 Y84 L87	L57-I70 WeakPolarHBondContact CD1-O 3.35Å; I70-D74 HydrophobicContact CG2-CB 3.82Å; I70-R75 HydrophobicContact CG2-CG 4.39Å; I70-Q83 HydrophobicContact CD1-CB 3.87Å; I70-Q83 VanDerWaalsContact CD1-CD 3.5Å; I70-Q83 HydrophobicContact CD1-CG 3.49Å; I70-Q83 VanDerWaalsContact CD1-CG 3.49Å; I70-Y84 HydrophobicContact CB-CE2 4.03Å; I70-Y84 HydrophobicContact CD1-CD2 3.89Å; I70-Y84 HydrophobicContact CD1-CE2 4Å; I70-Y84 HydrophobicContact CD1-CG 4.44Å; I70-Y84 HydrophobicContact CG1-CD2 4.3Å; I70-Y84 HydrophobicContact CG1-CE2 3.97Å; I70-Y84 PolarHBondContact N-OH 3.41Å; I70-L87 HydrophobicContact CG1-CD2 4.22Å
71	T	98.6	Very high	98.5	Very high	49 Å²	49	72.1 Å²	72.1	30%	0.301	37%	0.37	S	S	.	.			trans	-66.9	158.9	175	76.6	0	0	0	0	110.2	F69 D73 D74 R75	F69-T71 HydrophobicContact CE2-CG2 4.17Å; T71-D73 PolarHBondContact O-N 3.05Å; T71-D73 PolarHBondContact OG1-N 3.35Å; T71-D74 PolarHBondContact O-N 3.09Å; T71-D74 VanDerWaalsContact O-N 3.11Å; T71-D74 WeakPolarHBondContact OG1-CB 3.48Å; T71-D74 PolarHBondContact OG1-N 2.76Å; T71-D74 VanDerWaalsContact OG1-N 3.17Å; T71-D74 PolarHBondContact OG1-OD2 2.92Å; T71-R75 PolarHBondContact O-N 2.92Å; T71-R75 VanDerWaalsContact O-N 3.17Å
72	L	98.6	Very high	98.4	Very high	62 Å²	62	70.6 Å²	70.6	33%	0.325	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-35	175.4	-60.3	-178.3	0	0	0	111.6	E53 L57 D74 R75 C200	E53-L72 HydrophobicContact CB-CD2 3.92Å; L57-L72 HydrophobicContact CB-CD2 4.43Å; L57-L72 HydrophobicContact CD2-CD2 4.02Å; L57-L72 HydrophobicContact CD2-CG 3.94Å; L72-D74 VanDerWaalsContact C-N 3.28Å; L72-D74 PolarHBondContact O-N 3.14Å; L72-R75 WeakPolarHBondContact O-CB 3.47Å; L72-R75 PolarHBondContact O-N 3.36Å; L72-C200 HydrophobicContact CB-CB 4.25Å; L72-C200 WeakPolarHBondContact O-CB 3.46Å
73	D	98.4	Very high	98.4	Very high	106 Å²	106	68 Å²	68	57%	0.567	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-27.9	177.7	-73.5	-39.1	0	0	0	113.6	T71 R76 K203	T71-D73 PolarHBondContact O-N 3.05Å; T71-D73 PolarHBondContact OG1-N 3.35Å; D73-R76 PolarHBondContact O-NH1 2.84Å; D73-K203 IonicContact OD1-NZ 2.79Å; D73-K203 PolarHBondContact OD1-NZ 2.82Å
74	D	98.6	Very high	98.4	Very high	89 Å²	89	62 Å²	62	48%	0.476	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-2.2	178.5	-60.6	-43.9	0	0	0	113.3	I70 T71 L72 R76 Q83	I70-D74 HydrophobicContact CG2-CB 3.82Å; T71-D74 PolarHBondContact O-N 3.09Å; T71-D74 VanDerWaalsContact O-N 3.11Å; T71-D74 WeakPolarHBondContact OG1-CB 3.48Å; T71-D74 PolarHBondContact OG1-N 2.76Å; T71-D74 VanDerWaalsContact OG1-N 3.17Å; T71-D74 PolarHBondContact OG1-OD2 2.92Å; L72-D74 VanDerWaalsContact C-N 3.28Å; L72-D74 PolarHBondContact O-N 3.14Å; D74-R76 PolarHBondContact O-N 3.02Å; D74-Q83 PolarHBondContact O-NE2 3.39Å
75	R	98.6	Very high	98.4	Very high	2 Å²	2	61.1 Å²	61.1	1%	0.008	33%	0.327	C	S	.	.			trans	-62.6	128.6	177	-81.6	-70.1	-65.2	109.1	8.6	111.2	E53 I70 T71 L72 G77 C200 H201	E53-R75 IonicContact OE1-CZ 2.69Å; E53-R75 IonicContact OE1-NE 3.91Å; E53-R75 PolarHBondContact OE1-NE 3.34Å; E53-R75 VanDerWaalsContact OE1-NE 3.09Å; E53-R75 IonicContact OE1-NH2 3.74Å; E53-R75 PolarHBondContact OE1-NH2 2.84Å; E53-R75 WeakPolarHBondContact OE2-CD 3.42Å; E53-R75 IonicContact OE2-CZ 2.89Å; E53-R75 IonicContact OE2-NE 3.9Å; E53-R75 PolarHBondContact OE2-NE 2.84Å; E53-R75 IonicContact OE2-NH2 3.89Å; I70-R75 HydrophobicContact CG2-CG 4.39Å; T71-R75 PolarHBondContact O-N 2.92Å; T71-R75 VanDerWaalsContact O-N 3.17Å; L72-R75 WeakPolarHBondContact O-CB 3.47Å; L72-R75 PolarHBondContact O-N 3.36Å; R75-G77 PolarHBondContact NH1-O 2.92Å; R75-G77 PolarHBondContact NH2-O 3.49Å; R75-C200 HydrophobicContact CB-CB 4.46Å; R75-H201 HydrophobicContact CB-CB 4.18Å
76	R	98.4	Very high	98.4	Very high	106 Å²	106	63.5 Å²	63.5	40%	0.4	33%	0.33	S	S	.	.			trans	-137.1	139.3	176.4	-60.7	-64.3	179.4	-82.6	-4.2	109.9	D73 D74 Q83 H204	D73-R76 PolarHBondContact O-NH1 2.84Å; D74-R76 PolarHBondContact O-N 3.02Å; R76-Q83 PolarHBondContact O-OE1 3.12Å; R76-H204 WeakPolarHBondContact CD-CE1 3.34Å; R76-H204 VanDerWaalsContact CD-NE2 3.31Å; R76-H204 WeakPolarHBondContact CD-NE2 3.4Å
77	G	97.8	Very high	98.4	Very high	41 Å²	41	60.1 Å²	60.1	42%	0.423	31%	0.311	S	S	.	.	S	Bend	trans	70.8	148	-179	0	0	0	0	0	113.3	R75 W79	R75-G77 PolarHBondContact NH1-O 2.92Å; R75-G77 PolarHBondContact NH2-O 3.49Å; G77-W79 VanDerWaalsContact C-N 3.34Å; G77-W79 PolarHBondContact O-N 2.92Å
78	F	98.3	Very high	98.4	Very high	61 Å²	61	62.7 Å²	62.7	27%	0.268	32%	0.319	S	S	.	.	S	Bend	trans	-62.3	-36.2	-172.7	-173.5	-105.7	0	0	0	113.7	V80 K180 H201	F78-V80 PolarHBondContact O-N 3.5Å; F78-K180 HydrophobicContact CD1-CD 4.09Å; F78-K180 HydrophobicContact CD1-CG 4.17Å; F78-K180 HydrophobicContact CD2-CB 3.93Å; F78-K180 HydrophobicContact CD2-CG 3.86Å; F78-K180 HydrophobicContact CE1-CD 3.76Å; F78-K180 HydrophobicContact CE1-CG 4.15Å; F78-K180 HydrophobicContact CE2-CB 3.57Å; F78-K180 HydrophobicContact CE2-CD 4.23Å; F78-K180 HydrophobicContact CE2-CG 3.84Å; F78-K180 HydrophobicContact CG-CD 4.47Å; F78-K180 HydrophobicContact CG-CG 4.03Å; F78-K180 HydrophobicContact CZ-CB 3.95Å; F78-K180 HydrophobicContact CZ-CD 3.84Å; F78-K180 HydrophobicContact CZ-CG 3.99Å; F78-H201 AromaticContact CD2-CE1 3.87Å; F78-H201 AromaticContact CD2-NE2 3.55Å
79	W	98.4	Very high	98.2	Very high	135 Å²	135	65.3 Å²	65.3	51%	0.511	34%	0.339	S	S	.	.			trans	-87.2	101.8	-173.4	-55.4	115.3	0	0	0	112.6	G77 S81 L82 Q83	G77-W79 VanDerWaalsContact C-N 3.34Å; G77-W79 PolarHBondContact O-N 2.92Å; W79-S81 VanDerWaalsContact C-N 3.34Å; W79-S81 PolarHBondContact O-N 3.26Å; W79-L82 HydrophobicContact CB-CB 3.84Å; W79-L82 WeakPolarHBondContact O-CB 3.45Å; W79-L82 PolarHBondContact O-N 3.49Å; W79-L82 VanDerWaalsContact O-N 3.13Å; W79-Q83 PolarHBondContact O-N 3.3Å
80	V	98.6	Very high	98.1	Very high	7 Å²	7	64 Å²	64	4%	0.042	34%	0.335	C	S	.	.	H	α-helix	trans	-51.1	-49.8	175.3	176.9	0	0	0	0	112	F52 F56 F78 L82 Q83 Y84 W99	F52-V80 HydrophobicContact CE1-CG2 4.32Å; F56-V80 HydrophobicContact CD1-CG1 3.8Å; F56-V80 HydrophobicContact CD2-CG1 4.41Å; F56-V80 HydrophobicContact CE1-CG1 3.32Å; F56-V80 HydrophobicContact CE2-CG1 3.99Å; F56-V80 HydrophobicContact CG-CG1 4.32Å; F56-V80 HydrophobicContact CZ-CG1 3.42Å; F56-V80 VanDerWaalsContact CZ-CG1 3.42Å; F78-V80 PolarHBondContact O-N 3.5Å; V80-L82 PolarHBondContact O-N 3.09Å; V80-Q83 PolarHBondContact O-N 2.73Å; V80-Y84 HydrophobicContact CG1-CD2 3.7Å; V80-Y84 HydrophobicContact CG1-CE2 3.8Å; V80-Y84 WeakPolarHBondContact O-CD2 3.36Å; V80-Y84 PolarHBondContact O-N 3.26Å; V80-W99 HydrophobicContact CB-CH2 4.25Å; V80-W99 HydrophobicContact CB-CZ3 4.13Å; V80-W99 HydrophobicContact CG1-CH2 4.38Å; V80-W99 HydrophobicContact CG1-CZ3 3.96Å
81	S	98.3	Very high	98.1	Very high	26 Å²	26	63.2 Å²	63.2	18%	0.182	33%	0.331	C	S	.	.	H	α-helix	trans	-58.5	-35.7	-179.1	49.6	0	0	0	0	113.2	W79 G85 S92	W79-S81 VanDerWaalsContact C-N 3.34Å; W79-S81 PolarHBondContact O-N 3.26Å; S81-G85 PolarHBondContact O-N 3.26Å; S81-S92 PolarHBondContact O-OG 3.06Å
82	L	98.4	Very high	98.1	Very high	104 Å²	104	62.5 Å²	62.5	55%	0.545	33%	0.328	S	S	.	.	H	α-helix	trans	-66.4	-46.3	178.8	-176.6	63.7	0	0	0	110.9	W79 V80 G85 Q86	W79-L82 HydrophobicContact CB-CB 3.84Å; W79-L82 WeakPolarHBondContact O-CB 3.45Å; W79-L82 PolarHBondContact O-N 3.49Å; W79-L82 VanDerWaalsContact O-N 3.13Å; V80-L82 PolarHBondContact O-N 3.09Å; L82-G85 PolarHBondContact O-N 3.47Å; L82-Q86 WeakPolarHBondContact O-CG 3.32Å; L82-Q86 PolarHBondContact O-N 3.47Å; L82-Q86 VanDerWaalsContact O-N 3.11Å
83	Q	98.6	Very high	98	Very high	29 Å²	29	66.7 Å²	66.7	14%	0.136	35%	0.346	C	S	.	.	H	α-helix	trans	-67.8	-39	179.1	-156.2	-171.2	5.8	0	0	111.6	I70 D74 R76 W79 V80 Q86 L87	I70-Q83 HydrophobicContact CD1-CB 3.87Å; I70-Q83 VanDerWaalsContact CD1-CD 3.5Å; I70-Q83 HydrophobicContact CD1-CG 3.49Å; I70-Q83 VanDerWaalsContact CD1-CG 3.49Å; D74-Q83 PolarHBondContact O-NE2 3.39Å; R76-Q83 PolarHBondContact O-OE1 3.12Å; W79-Q83 PolarHBondContact O-N 3.3Å; V80-Q83 PolarHBondContact O-N 2.73Å; Q83-Q86 WeakPolarHBondContact O-CB 3.2Å; Q83-Q86 PolarHBondContact O-N 3.03Å; Q83-L87 PolarHBondContact O-N 3.33Å
84	Y	98.7	Very high	98	Very high	0 Å²	0	64 Å²	64	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-63.5	-40.6	173.5	-87.7	-103.8	0	0	0	111.8	F56 Y60 I70 V80 Q86 L87 R88 L91 A95	F56-Y84 HydrophobicContact CE1-CD2 4.31Å; F56-Y84 HydrophobicContact CE1-CE1 4.44Å; F56-Y84 AromaticContact CE1-CE2 3.44Å; F56-Y84 HydrophobicContact CE1-CE2 3.44Å; F56-Y84 VanDerWaalsContact CE1-CE2 3.44Å; F56-Y84 AromaticContact CE1-CZ 3.52Å; F56-Y84 WeakPolarHBondContact CE1-OH 3.45Å; F56-Y84 HydrophobicContact CZ-CD2 4.18Å; F56-Y84 HydrophobicContact CZ-CE1 4.12Å; F56-Y84 AromaticContact CZ-CE2 3.66Å; F56-Y84 HydrophobicContact CZ-CE2 3.66Å; F56-Y84 AromaticContact CZ-CZ 3.62Å; Y60-Y84 HydrophobicContact CD1-CE1 4.02Å; Y60-Y84 HydrophobicContact CD2-CE1 4.19Å; Y60-Y84 HydrophobicContact CE1-CD1 4.38Å; Y60-Y84 AromaticContact CE1-CE1 3.6Å; Y60-Y84 HydrophobicContact CE1-CE1 3.6Å; Y60-Y84 AromaticContact CE2-CD1 3.96Å; Y60-Y84 HydrophobicContact CE2-CD1 3.96Å; Y60-Y84 AromaticContact CE2-CE1 3.77Å; Y60-Y84 HydrophobicContact CE2-CE1 3.77Å; Y60-Y84 HydrophobicContact CG-CE1 4.31Å; Y60-Y84 AromaticContact CZ-CD1 3.79Å; Y60-Y84 AromaticContact CZ-CE1 3.44Å; Y60-Y84 VanDerWaalsContact CZ-CE1 3.44Å; I70-Y84 HydrophobicContact CB-CE2 4.03Å; I70-Y84 HydrophobicContact CD1-CD2 3.89Å; I70-Y84 HydrophobicContact CD1-CE2 4Å; I70-Y84 HydrophobicContact CD1-CG 4.44Å; I70-Y84 HydrophobicContact CG1-CD2 4.3Å; I70-Y84 HydrophobicContact CG1-CE2 3.97Å; I70-Y84 PolarHBondContact N-OH 3.41Å; V80-Y84 HydrophobicContact CG1-CD2 3.7Å; V80-Y84 HydrophobicContact CG1-CE2 3.8Å; V80-Y84 WeakPolarHBondContact O-CD2 3.36Å; V80-Y84 PolarHBondContact O-N 3.26Å; Y84-Q86 VanDerWaalsContact C-N 3.27Å; Y84-Q86 PolarHBondContact O-N 2.83Å; Y84-L87 WeakPolarHBondContact O-CB 3.5Å; Y84-L87 PolarHBondContact O-N 3.05Å; Y84-L87 VanDerWaalsContact O-N 3.12Å; Y84-R88 PolarHBondContact O-N 2.94Å; Y84-R88 VanDerWaalsContact O-N 3.16Å; Y84-L91 HydrophobicContact CD1-CB 4.26Å; Y84-A95 HydrophobicContact CD1-CB 4.34Å; Y84-A95 HydrophobicContact CG-CB 4.09Å
85	G	98.4	Very high	98	Very high	25 Å²	25	59.8 Å²	59.8	26%	0.258	31%	0.307	S	S	.	.	H	α-helix	trans	-63.7	-28.6	175.4	0	0	0	0	0	114.1	S81 L82 R88	S81-G85 PolarHBondContact O-N 3.26Å; L82-G85 PolarHBondContact O-N 3.47Å; G85-R88 CarbonylContact O-C 3.34Å
86	Q	98.2	Very high	98	Very high	145 Å²	145	62 Å²	62	68%	0.678	32%	0.318	S	S	*	.	H	α-helix	trans	-72.2	-32	173	-70.7	169.9	-12.1	0	0	112.6	L82 Q83 Y84	L82-Q86 WeakPolarHBondContact O-CG 3.32Å; L82-Q86 PolarHBondContact O-N 3.47Å; L82-Q86 VanDerWaalsContact O-N 3.11Å; Q83-Q86 WeakPolarHBondContact O-CB 3.2Å; Q83-Q86 PolarHBondContact O-N 3.03Å; Y84-Q86 VanDerWaalsContact C-N 3.27Å; Y84-Q86 PolarHBondContact O-N 2.83Å
87	L	97.1	Very high	98.1	Very high	85 Å²	85	58 Å²	58	45%	0.445	31%	0.307	S	S	.	.	H	α-helix	trans	-68.1	-45.8	175.8	-176.6	61.2	0	0	0	110.7	P68 I70 Q83 Y84 L91	P68-L87 HydrophobicContact CB-CD2 3.86Å; P68-L87 HydrophobicContact CB-CG 4.46Å; P68-L87 HydrophobicContact CG-CD2 3.88Å; P68-L87 HydrophobicContact CG-CG 4.21Å; I70-L87 HydrophobicContact CG1-CD2 4.22Å; Q83-L87 PolarHBondContact O-N 3.33Å; Y84-L87 WeakPolarHBondContact O-CB 3.5Å; Y84-L87 PolarHBondContact O-N 3.05Å; Y84-L87 VanDerWaalsContact O-N 3.12Å; L87-L91 HydrophobicContact CB-CD1 4.31Å; L87-L91 HydrophobicContact CD2-CD1 4.03Å; L87-L91 HydrophobicContact CG-CD1 4.16Å
88	R	98.1	Very high	98.1	Very high	93 Å²	93	56.3 Å²	56.3	35%	0.351	29%	0.288	S	S	.	.			trans	-162.8	139	171.1	-162.2	177.8	73.2	-158.8	5.7	109.8	E67 Y84 G85 D90 L91	E67-R88 IonicContact OE1-NH2 3.06Å; E67-R88 PolarHBondContact OE1-NH2 2.95Å; E67-R88 IonicContact OE2-CZ 3.09Å; E67-R88 IonicContact OE2-NH1 2.77Å; E67-R88 PolarHBondContact OE2-NH1 2.82Å; E67-R88 IonicContact OE2-NH2 2.64Å; E67-R88 PolarHBondContact OE2-NH2 2.76Å; Y84-R88 PolarHBondContact O-N 2.94Å; Y84-R88 VanDerWaalsContact O-N 3.16Å; G85-R88 CarbonylContact O-C 3.34Å; R88-D90 VanDerWaalsContact C-N 3.33Å; R88-D90 WeakPolarHBondContact CG-OD1 3.39Å; R88-D90 IonicContact CZ-OD1 3.48Å; R88-D90 IonicContact CZ-OD2 3.75Å; R88-D90 IonicContact NE-OD1 2.72Å; R88-D90 PolarHBondContact NE-OD1 3.33Å; R88-D90 IonicContact NE-OD2 3.75Å; R88-D90 IonicContact NH2-OD1 3.32Å; R88-D90 PolarHBondContact NH2-OD1 3.44Å; R88-D90 IonicContact NH2-OD2 2.84Å; R88-D90 PolarHBondContact NH2-OD2 2.94Å; R88-D90 PolarHBondContact O-N 2.85Å; R88-L91 HydrophobicContact CB-CD1 3.73Å; R88-L91 HydrophobicContact CB-CG 3.88Å; R88-L91 WeakPolarHBondContact O-CB 3.31Å; R88-L91 PolarHBondContact O-N 3.3Å
89	S	94.9	Very high	98.1	Very high	108 Å²	108	54.7 Å²	54.7	76%	0.755	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-34.8	-165.3	51.8	0	0	0	0	115.2	L91	S89-L91 VanDerWaalsContact C-N 3.31Å; S89-L91 PolarHBondContact O-N 3.07Å
90	D	96.3	Very high	98.1	Very high	54 Å²	54	51.4 Å²	51.4	29%	0.289	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-16.4	179.2	68.2	-58.4	0	0	0	113.7	R88 S92 E93 K94	R88-D90 VanDerWaalsContact C-N 3.33Å; R88-D90 WeakPolarHBondContact CG-OD1 3.39Å; R88-D90 IonicContact CZ-OD1 3.48Å; R88-D90 IonicContact CZ-OD2 3.75Å; R88-D90 IonicContact NE-OD1 2.72Å; R88-D90 PolarHBondContact NE-OD1 3.33Å; R88-D90 IonicContact NE-OD2 3.75Å; R88-D90 IonicContact NH2-OD1 3.32Å; R88-D90 PolarHBondContact NH2-OD1 3.44Å; R88-D90 IonicContact NH2-OD2 2.84Å; R88-D90 PolarHBondContact NH2-OD2 2.94Å; R88-D90 PolarHBondContact O-N 2.85Å; D90-S92 VanDerWaalsContact C-N 3.27Å; D90-S92 PolarHBondContact O-N 3.04Å; D90-E93 PolarHBondContact O-N 3.49Å; D90-K94 PolarHBondContact O-N 3.27Å; D90-K94 IonicContact OD2-NZ 3.71Å; D90-K94 PolarHBondContact OD2-NZ 3.49Å
91	L	98.4	Very high	98.1	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-74.3	-20.2	-174.1	-60.1	-178.4	0	0	0	113.1	Y60 E67 P68 Y84 L87 R88 S89 K94 A95	Y60-L91 WeakPolarHBondContact OH-CD2 3.38Å; E67-L91 HydrophobicContact CB-CD2 4.36Å; E67-L91 HydrophobicContact CG-CD2 4.37Å; P68-L91 HydrophobicContact CG-CD1 3.76Å; Y84-L91 HydrophobicContact CD1-CB 4.26Å; L87-L91 HydrophobicContact CB-CD1 4.31Å; L87-L91 HydrophobicContact CD2-CD1 4.03Å; L87-L91 HydrophobicContact CG-CD1 4.16Å; R88-L91 HydrophobicContact CB-CD1 3.73Å; R88-L91 HydrophobicContact CB-CG 3.88Å; R88-L91 WeakPolarHBondContact O-CB 3.31Å; R88-L91 PolarHBondContact O-N 3.3Å; S89-L91 VanDerWaalsContact C-N 3.31Å; S89-L91 PolarHBondContact O-N 3.07Å; L91-K94 HydrophobicContact CD2-CD 3.89Å; L91-K94 PolarHBondContact O-N 3.12Å; L91-A95 VanDerWaalsContact O-CB 3.29Å; L91-A95 WeakPolarHBondContact O-CB 3.25Å; L91-A95 PolarHBondContact O-N 3.24Å
92	S	98.3	Very high	98.1	Very high	34 Å²	34	59.7 Å²	59.7	24%	0.238	31%	0.308	C	S	.	.	H	α-helix	trans	-57.9	-49	174.1	179.5	0	0	0	0	111	S81 D90 A95 I96	S81-S92 PolarHBondContact O-OG 3.06Å; D90-S92 VanDerWaalsContact C-N 3.27Å; D90-S92 PolarHBondContact O-N 3.04Å; S92-A95 PolarHBondContact O-N 3.35Å; S92-I96 WeakPolarHBondContact O-CD1 3.32Å; S92-I96 VanDerWaalsContact O-CG1 3.25Å; S92-I96 WeakPolarHBondContact O-CG1 3.43Å; S92-I96 PolarHBondContact O-N 3.21Å
93	E	98.1	Very high	98.1	Very high	151 Å²	151	55.3 Å²	55.3	71%	0.706	29%	0.287	S	S	*	.	H	α-helix	trans	-68.6	-39.3	179.7	-65.5	-176.6	172.5	0	0	111.9	D90 A95 I96 S97	D90-E93 PolarHBondContact O-N 3.49Å; E93-A95 VanDerWaalsContact C-N 3.35Å; E93-A95 PolarHBondContact O-N 3.41Å; E93-I96 PolarHBondContact O-N 3.33Å; E93-S97 PolarHBondContact O-N 2.94Å
94	K	98.5	Very high	98.2	Very high	50 Å²	50	54 Å²	54	22%	0.217	28%	0.281	C	S	.	.	H	α-helix	trans	-60.2	-45.2	173.6	-73.5	176	176.9	158.9	0	111.3	Y60 Y64 E67 D90 L91 S97	Y60-K94 HydrophobicContact CE2-CB 4.22Å; Y64-K94 HydrophobicContact CD1-CD 4.21Å; Y64-K94 HydrophobicContact CD2-CB 4.22Å; Y64-K94 HydrophobicContact CE1-CB 4.42Å; Y64-K94 HydrophobicContact CE1-CD 4.11Å; Y64-K94 HydrophobicContact CE1-CG 3.99Å; Y64-K94 HydrophobicContact CE2-CB 3.75Å; Y64-K94 HydrophobicContact CE2-CG 4.21Å; Y64-K94 WeakPolarHBondContact CE2-O 3.48Å; E67-K94 HydrophobicContact CG-CD 4.45Å; E67-K94 IonicContact OE1-NZ 2.63Å; E67-K94 PolarHBondContact OE1-NZ 3.38Å; D90-K94 PolarHBondContact O-N 3.27Å; D90-K94 IonicContact OD2-NZ 3.71Å; D90-K94 PolarHBondContact OD2-NZ 3.49Å; L91-K94 HydrophobicContact CD2-CD 3.89Å; L91-K94 PolarHBondContact O-N 3.12Å; K94-S97 PolarHBondContact O-N 3.41Å; K94-S97 PolarHBondContact O-OG 3.26Å
95	A	98.6	Very high	98.2	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-60.9	-48.9	175.9	0	0	0	0	0	110.9	F56 Y60 Y84 L91 S92 E93 S97 I98 W99	F56-A95 HydrophobicContact CE2-CB 3.86Å; F56-A95 HydrophobicContact CZ-CB 3.89Å; Y60-A95 HydrophobicContact CE2-CB 4.37Å; Y84-A95 HydrophobicContact CD1-CB 4.34Å; Y84-A95 HydrophobicContact CG-CB 4.09Å; L91-A95 VanDerWaalsContact O-CB 3.29Å; L91-A95 WeakPolarHBondContact O-CB 3.25Å; L91-A95 PolarHBondContact O-N 3.24Å; S92-A95 PolarHBondContact O-N 3.35Å; E93-A95 VanDerWaalsContact C-N 3.35Å; E93-A95 PolarHBondContact O-N 3.41Å; A95-S97 VanDerWaalsContact C-N 3.27Å; A95-S97 PolarHBondContact O-N 2.88Å; A95-I98 VanDerWaalsContact O-CB 3.31Å; A95-I98 WeakPolarHBondContact O-CB 3.49Å; A95-I98 PolarHBondContact O-N 2.85Å; A95-W99 HydrophobicContact CB-CH2 4.02Å; A95-W99 HydrophobicContact CB-CZ3 3.93Å; A95-W99 WeakPolarHBondContact O-CZ3 3.49Å
96	I	98.6	Very high	98.2	Very high	47 Å²	47	54.9 Å²	54.9	24%	0.241	28%	0.28	C	S	.	.	H	α-helix	trans	-53.6	-45	176.8	-70.3	160.6	0	0	0	111.7	S92 E93 I98 W99 E100	S92-I96 WeakPolarHBondContact O-CD1 3.32Å; S92-I96 VanDerWaalsContact O-CG1 3.25Å; S92-I96 WeakPolarHBondContact O-CG1 3.43Å; S92-I96 PolarHBondContact O-N 3.21Å; E93-I96 PolarHBondContact O-N 3.33Å; I96-I98 PolarHBondContact O-N 2.68Å; I96-W99 VanDerWaalsContact CA-CZ2 3.42Å; I96-W99 HydrophobicContact CB-CH2 4.5Å; I96-W99 HydrophobicContact CB-CZ2 3.95Å; I96-W99 HydrophobicContact CG1-CH2 3.99Å; I96-W99 HydrophobicContact CG1-CZ2 3.41Å; I96-W99 VanDerWaalsContact CG1-CZ2 3.41Å; I96-W99 PolarHBondContact O-N 2.98Å; I96-E100 VanDerWaalsContact CG2-CD 3.42Å; I96-E100 HydrophobicContact CG2-CG 3.88Å; I96-E100 WeakPolarHBondContact CG2-OE1 3.28Å; I96-E100 WeakPolarHBondContact O-CG 3.25Å; I96-E100 PolarHBondContact O-N 3Å; I96-E100 VanDerWaalsContact O-N 3.11Å
97	S	98.6	Very high	98.2	Very high	24 Å²	24	52.2 Å²	52.2	17%	0.168	27%	0.27	C	S	.	.	H	α-helix	trans	-59.1	-22.7	-179.1	84.2	0	0	0	0	113.9	R63 Y64 E93 K94 A95 S101	R63-S97 PolarHBondContact NH1-O 2.83Å; Y64-S97 PolarHBondContact OH-OG 2.84Å; E93-S97 PolarHBondContact O-N 2.94Å; K94-S97 PolarHBondContact O-N 3.41Å; K94-S97 PolarHBondContact O-OG 3.26Å; A95-S97 VanDerWaalsContact C-N 3.27Å; A95-S97 PolarHBondContact O-N 2.88Å; S97-S101 PolarHBondContact O-N 3.31Å; S97-S101 PolarHBondContact O-OG 3.21Å
98	I	98.8	Very high	98.3	Very high	5 Å²	5	48.3 Å²	48.3	3%	0.026	25%	0.25	C	C	.	.	H	α-helix	trans	-68.2	-54.2	178.2	-60.3	-56	0	0	0	110.6	F56 K59 Y60 R63 Y64 A95 I96 E100 S101 F104	F56-I98 HydrophobicContact CD2-CB 3.97Å; F56-I98 HydrophobicContact CD2-CG1 4.37Å; F56-I98 HydrophobicContact CD2-CG2 3.88Å; F56-I98 HydrophobicContact CE2-CB 4.12Å; F56-I98 HydrophobicContact CE2-CG1 4.1Å; F56-I98 HydrophobicContact CE2-CG2 4.45Å; K59-I98 HydrophobicContact CB-CG2 3.71Å; Y60-I98 HydrophobicContact CD2-CD1 4.49Å; Y60-I98 HydrophobicContact CD2-CG1 3.89Å; Y60-I98 HydrophobicContact CG-CG1 4.5Å; R63-I98 HydrophobicContact CB-CD1 3.98Å; R63-I98 HydrophobicContact CG-CD1 4.38Å; Y64-I98 HydrophobicContact CD2-CD1 4.19Å; Y64-I98 HydrophobicContact CE2-CD1 3.8Å; Y64-I98 HydrophobicContact CE2-CG1 4.41Å; A95-I98 VanDerWaalsContact O-CB 3.31Å; A95-I98 WeakPolarHBondContact O-CB 3.49Å; A95-I98 PolarHBondContact O-N 2.85Å; I96-I98 PolarHBondContact O-N 2.68Å; I98-E100 VanDerWaalsContact C-N 3.34Å; I98-S101 VanDerWaalsContact O-CB 3.32Å; I98-S101 WeakPolarHBondContact O-CB 3.38Å; I98-S101 PolarHBondContact O-N 3.25Å; I98-F104 HydrophobicContact CG2-CD2 3.85Å; I98-F104 HydrophobicContact CG2-CE2 3.77Å; I98-F104 WeakPolarHBondContact O-CD2 3.45Å
99	W	98.6	Very high	98.3	Very high	27 Å²	27	48.4 Å²	48.4	10%	0.102	26%	0.257	C	S	.	.	H	α-helix	trans	-79.6	-16.2	-178.5	59.5	76.3	0	0	0	114	F52 F56 V80 A95 I96 S101 F104 F105	F52-W99 HydrophobicContact CE1-CE3 4.44Å; F52-W99 HydrophobicContact CE2-CB 4.13Å; F52-W99 HydrophobicContact CZ-CB 3.99Å; F52-W99 HydrophobicContact CZ-CD2 4.07Å; F52-W99 AromaticContact CZ-CE3 3.99Å; F52-W99 HydrophobicContact CZ-CE3 3.99Å; F52-W99 HydrophobicContact CZ-CG 4.11Å; F56-W99 AromaticContact CD2-CE3 3.75Å; F56-W99 HydrophobicContact CD2-CE3 3.75Å; F56-W99 AromaticContact CD2-CZ3 3.83Å; F56-W99 HydrophobicContact CD2-CZ3 3.83Å; F56-W99 HydrophobicContact CE2-CE3 4.01Å; F56-W99 AromaticContact CE2-CZ3 3.67Å; F56-W99 HydrophobicContact CE2-CZ3 3.67Å; F56-W99 HydrophobicContact CZ-CZ3 4.46Å; V80-W99 HydrophobicContact CB-CH2 4.25Å; V80-W99 HydrophobicContact CB-CZ3 4.13Å; V80-W99 HydrophobicContact CG1-CH2 4.38Å; V80-W99 HydrophobicContact CG1-CZ3 3.96Å; A95-W99 HydrophobicContact CB-CH2 4.02Å; A95-W99 HydrophobicContact CB-CZ3 3.93Å; A95-W99 WeakPolarHBondContact O-CZ3 3.49Å; I96-W99 VanDerWaalsContact CA-CZ2 3.42Å; I96-W99 HydrophobicContact CB-CH2 4.5Å; I96-W99 HydrophobicContact CB-CZ2 3.95Å; I96-W99 HydrophobicContact CG1-CH2 3.99Å; I96-W99 HydrophobicContact CG1-CZ2 3.41Å; I96-W99 VanDerWaalsContact CG1-CZ2 3.41Å; I96-W99 PolarHBondContact O-N 2.98Å; W99-S101 VanDerWaalsContact C-N 3.26Å; W99-F104 VanDerWaalsContact CA-CG 3.46Å; W99-F104 HydrophobicContact CB-CD1 3.56Å; W99-F104 HydrophobicContact CB-CD2 4.31Å; W99-F104 HydrophobicContact CB-CE1 3.53Å; W99-F104 HydrophobicContact CB-CE2 4.3Å; W99-F104 HydrophobicContact CB-CG 3.98Å; W99-F104 HydrophobicContact CB-CZ 3.92Å; W99-F105 HydrophobicContact CB-CZ 4.38Å; W99-F105 VanDerWaalsContact O-CE2 3.23Å; W99-F105 WeakPolarHBondContact O-CE2 3.43Å
100	E	98.6	Very high	98.5	Very high	65 Å²	65	45.5 Å²	45.5	30%	0.304	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-12.8	168.2	-65.3	-168.5	164.1	0	0	113.1	I96 I98 I136 H138 H141	I96-E100 VanDerWaalsContact CG2-CD 3.42Å; I96-E100 HydrophobicContact CG2-CG 3.88Å; I96-E100 WeakPolarHBondContact CG2-OE1 3.28Å; I96-E100 WeakPolarHBondContact O-CG 3.25Å; I96-E100 PolarHBondContact O-N 3Å; I96-E100 VanDerWaalsContact O-N 3.11Å; I98-E100 VanDerWaalsContact C-N 3.34Å; E100-I136 HydrophobicContact CG-CD1 4.2Å; E100-H138 HydrophobicContact CG-CB 3.73Å; E100-H138 WeakPolarHBondContact OE1-CB 3.5Å; E100-H138 IonicContact OE1-CG 2.71Å; E100-H138 IonicContact OE1-ND1 3.02Å; E100-H138 IonicContact OE2-CG 2.79Å; E100-H138 IonicContact OE2-ND1 3.73Å; E100-H141 PolarHBondContact O-CD2 3.38Å
101	S	98.5	Very high	98.6	Very high	40 Å²	40	44.5 Å²	44.5	28%	0.28	23%	0.23	S	C	.	.	S	Bend	trans	-73.1	141.1	-179.3	-65.9	0	0	0	0	111.9	R63 S97 I98 W99 G103 F104	R63-S101 PolarHBondContact NH1-OG 3.07Å; S97-S101 PolarHBondContact O-N 3.31Å; S97-S101 PolarHBondContact O-OG 3.21Å; I98-S101 VanDerWaalsContact O-CB 3.32Å; I98-S101 WeakPolarHBondContact O-CB 3.38Å; I98-S101 PolarHBondContact O-N 3.25Å; W99-S101 VanDerWaalsContact C-N 3.26Å; S101-G103 PolarHBondContact O-N 2.81Å; S101-F104 VanDerWaalsContact O-CB 3.27Å; S101-F104 WeakPolarHBondContact O-CB 3.31Å; S101-F104 PolarHBondContact O-N 3.3Å; S101-F104 VanDerWaalsContact O-N 3.12Å
102	K	98.6	Very high	98.6	Very high	168 Å²	168	49.9 Å²	49.9	73%	0.73	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	137.5	170.8	-175.4	-177.2	177.8	-174.7	0	110.5	F104	K102-F104 VanDerWaalsContact C-N 3.27Å
103	G	98.5	Very high	98.7	Very high	11 Å²	11	49.8 Å²	49.8	11%	0.113	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.8	-1.2	-179.6	0	0	0	0	0	113.3	K59 S101 D107 E145	K59-G103 PolarHBondContact NZ-O 2.89Å; S101-G103 PolarHBondContact O-N 2.81Å; G103-D107 WeakPolarHBondContact O-CB 3.41Å; G103-D107 PolarHBondContact O-N 2.85Å; G103-E145 WeakPolarHBondContact CA-OE2 3.4Å; G103-E145 PolarHBondContact N-OE1 3.29Å; G103-E145 PolarHBondContact N-OE2 3.38Å
104	F	98.9	Very high	98.7	Very high	1 Å²	1	42.6 Å²	42.6	0%	0.004	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-52.8	-179.4	178.9	-97.2	0	0	0	112	F52 F56 K59 I98 W99 S101 K102 L108 E145	F52-F104 AromaticContact CD2-CE1 3.6Å; F52-F104 HydrophobicContact CD2-CE1 3.6Å; F52-F104 AromaticContact CD2-CZ 3.99Å; F52-F104 HydrophobicContact CD2-CZ 3.99Å; F52-F104 HydrophobicContact CE1-CZ 4.47Å; F52-F104 HydrophobicContact CE2-CD1 4.45Å; F52-F104 AromaticContact CE2-CE1 3.36Å; F52-F104 HydrophobicContact CE2-CE1 3.36Å; F52-F104 AromaticContact CE2-CZ 3.82Å; F52-F104 HydrophobicContact CE2-CZ 3.82Å; F52-F104 HydrophobicContact CG-CE1 4.43Å; F52-F104 HydrophobicContact CG-CZ 4.4Å; F52-F104 AromaticContact CZ-CE1 4Å; F52-F104 HydrophobicContact CZ-CE1 4Å; F52-F104 HydrophobicContact CZ-CZ 4.06Å; F56-F104 HydrophobicContact CB-CE2 4.24Å; F56-F104 HydrophobicContact CB-CZ 4.14Å; K59-F104 HydrophobicContact CD-CD2 3.96Å; I98-F104 HydrophobicContact CG2-CD2 3.85Å; I98-F104 HydrophobicContact CG2-CE2 3.77Å; I98-F104 WeakPolarHBondContact O-CD2 3.45Å; W99-F104 VanDerWaalsContact CA-CG 3.46Å; W99-F104 HydrophobicContact CB-CD1 3.56Å; W99-F104 HydrophobicContact CB-CD2 4.31Å; W99-F104 HydrophobicContact CB-CE1 3.53Å; W99-F104 HydrophobicContact CB-CE2 4.3Å; W99-F104 HydrophobicContact CB-CG 3.98Å; W99-F104 HydrophobicContact CB-CZ 3.92Å; S101-F104 VanDerWaalsContact O-CB 3.27Å; S101-F104 WeakPolarHBondContact O-CB 3.31Å; S101-F104 PolarHBondContact O-N 3.3Å; S101-F104 VanDerWaalsContact O-N 3.12Å; K102-F104 VanDerWaalsContact C-N 3.27Å; F104-L108 HydrophobicContact CE1-CD1 4.33Å; F104-L108 HydrophobicContact CE1-CD2 4.12Å; F104-L108 HydrophobicContact CE2-CD2 4.35Å; F104-L108 HydrophobicContact CZ-CD2 3.96Å; F104-L108 WeakPolarHBondContact O-CG 3.45Å; F104-E145 PolarHBondContact N-OE2 2.99Å
105	F	98.8	Very high	98.7	Very high	1 Å²	1	40.8 Å²	40.8	0%	0.004	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-39.5	-170.5	-67.2	-85.1	0	0	0	112.5	F52 W99 D107 L108 I136 C142 E145 K146 W149	F52-F105 HydrophobicContact CD2-CE1 4.35Å; F52-F105 HydrophobicContact CE2-CE1 4.08Å; F52-F105 HydrophobicContact CE2-CZ 4.49Å; W99-F105 HydrophobicContact CB-CZ 4.38Å; W99-F105 VanDerWaalsContact O-CE2 3.23Å; W99-F105 WeakPolarHBondContact O-CE2 3.43Å; F105-D107 VanDerWaalsContact C-N 3.27Å; F105-D107 PolarHBondContact O-N 2.88Å; F105-L108 HydrophobicContact CD1-CD1 4.4Å; F105-L108 WeakPolarHBondContact O-CG 3.46Å; F105-L108 PolarHBondContact O-N 3.32Å; F105-I136 HydrophobicContact CE2-CD1 3.86Å; F105-I136 HydrophobicContact CE2-CG1 4.26Å; F105-I136 HydrophobicContact CZ-CD1 4Å; F105-I136 HydrophobicContact CZ-CG1 4.16Å; F105-I136 HydrophobicContact CZ-CG2 3.8Å; F105-C142 HydrophobicContact CD2-CB 3.79Å; F105-C142 HydrophobicContact CE2-CB 3.45Å; F105-C142 VanDerWaalsContact CE2-CB 3.45Å; F105-C142 HydrophobicContact CZ-CB 3.99Å; F105-E145 HydrophobicContact CB-CB 3.78Å; F105-E145 PolarHBondContact N-OE2 3.08Å; F105-K146 HydrophobicContact CD1-CG 4.45Å; F105-W149 VanDerWaalsContact O-CD1 3.29Å
106	I	98.6	Very high	98.7	Very high	43 Å²	43	46.4 Å²	46.4	22%	0.221	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-23.9	-179	-166.5	174.2	0	0	0	113.2	E145 A148 K152	I106-E145 HydrophobicContact CB-CB 4.03Å; I106-E145 HydrophobicContact CB-CG 4.1Å; I106-E145 HydrophobicContact CG2-CG 4.12Å; I106-E145 PolarHBondContact N-OE2 2.96Å; I106-A148 HydrophobicContact CD1-CB 3.57Å; I106-A148 HydrophobicContact CG1-CB 4.24Å; I106-K152 PolarHBondContact O-NZ 3.45Å
107	D	98.5	Very high	98.7	Very high	90 Å²	90	44.4 Å²	44.4	48%	0.481	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-3.2	178.7	-64.7	-16.7	0	0	0	113.1	K59 G103 F105 D109	K59-D107 IonicContact NZ-OD2 3.09Å; K59-D107 PolarHBondContact NZ-OD2 2.82Å; G103-D107 WeakPolarHBondContact O-CB 3.41Å; G103-D107 PolarHBondContact O-N 2.85Å; F105-D107 VanDerWaalsContact C-N 3.27Å; F105-D107 PolarHBondContact O-N 2.88Å; D107-D109 PolarHBondContact O-N 3.45Å
108	L	98.9	Very high	98.7	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.016	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-62.9	133.7	178.6	-63.8	-179.7	0	0	0	110.1	A50 F52 F104 F105 W149	A50-L108 HydrophobicContact CB-CB 3.96Å; A50-L108 HydrophobicContact CB-CD1 3.92Å; F52-L108 HydrophobicContact CB-CD1 4.41Å; F52-L108 HydrophobicContact CD2-CD1 4.46Å; F104-L108 HydrophobicContact CE1-CD1 4.33Å; F104-L108 HydrophobicContact CE1-CD2 4.12Å; F104-L108 HydrophobicContact CE2-CD2 4.35Å; F104-L108 HydrophobicContact CZ-CD2 3.96Å; F104-L108 WeakPolarHBondContact O-CG 3.45Å; F105-L108 HydrophobicContact CD1-CD1 4.4Å; F105-L108 WeakPolarHBondContact O-CG 3.46Å; F105-L108 PolarHBondContact O-N 3.32Å; L108-W149 PolarHBondContact O-NE1 2.96Å
109	D	98.8	Very high	98.7	Very high	94 Å²	94	46.4 Å²	46.4	50%	0.503	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-73	143.1	174.9	-69	-46.6	0	0	0	109.5	D51 D107	D51-D109 WeakPolarHBondContact CB-O 3.39Å; D51-D109 PolarHBondContact N-O 3.41Å; D107-D109 PolarHBondContact O-N 3.45Å
110	P	98.9	Very high	98.6	Very high	47 Å²	47	49 Å²	49	31%	0.305	27%	0.265	S	S	.	.	B	Isolated β-bridge	trans	-63.5	142.6	171.7	-20.6	32.3	0	0	0	111.9	L49 V115 W149 H153	L49-P110 CarbonylContact O-C 3.5Å; L49-P110 VanDerWaalsContact O-CA 3.25Å; L49-P110 WeakPolarHBondContact O-CA 3.28Å; P110-V115 HydrophobicContact CB-CG2 3.83Å; P110-V115 HydrophobicContact CG-CG2 4.2Å; P110-W149 HydrophobicContact CB-CH2 4.45Å; P110-W149 HydrophobicContact CB-CZ2 4.12Å; P110-W149 HydrophobicContact CG-CZ2 3.95Å; P110-H153 VanDerWaalsContact CG-CE1 3.5Å; P110-H153 WeakPolarHBondContact CG-CE1 3.16Å; P110-H153 WeakPolarHBondContact CG-ND1 3.23Å
111	L	98.8	Very high	98.6	Very high	34 Å²	34	46 Å²	46	18%	0.178	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-66.6	142.1	168.8	-79.7	169.2	0	0	0	110.2	G47 V48 L49 D51 G113 G114 F197	G47-L111 VanDerWaalsContact O-CD1 3.29Å; G47-L111 WeakPolarHBondContact O-CD1 3.25Å; V48-L111 VanDerWaalsContact C-CD1 3.45Å; V48-L111 WeakPolarHBondContact O-CD1 3.3Å; L49-L111 PolarHBondContact O-N 3.39Å; D51-L111 HydrophobicContact CB-CD2 4.01Å; D51-L111 HydrophobicContact CB-CG 4.24Å; L111-G113 PolarHBondContact O-N 3.4Å; L111-G114 PolarHBondContact O-N 2.8Å; L111-F197 HydrophobicContact CD1-CE1 4.31Å
112	P	98.8	Very high	98.5	Very high	113 Å²	113	44.9 Å²	44.9	73%	0.734	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.5	124.5	-175.7	-27.8	35	0	0	0	112.9	G114	P112-G114 PolarHBondContact O-N 2.8Å
113	G	98.6	Very high	98.5	Very high	32 Å²	32	45.6 Å²	45.6	33%	0.33	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	-7.1	178	0	0	0	0	0	115.9	L111 E116 A117	L111-G113 PolarHBondContact O-N 3.4Å; G113-E116 VanDerWaalsContact CA-OE2 3.31Å; G113-E116 WeakPolarHBondContact CA-OE2 3.17Å; G113-E116 PolarHBondContact O-N 2.85Å; G113-A117 VanDerWaalsContact O-CB 3.25Å; G113-A117 WeakPolarHBondContact O-CB 3.37Å; G113-A117 PolarHBondContact O-N 3.45Å
114	G	98.6	Very high	98.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-68.6	-41.2	-173.8	0	0	0	0	0	114	L111 P112 V118	L111-G114 PolarHBondContact O-N 2.8Å; P112-G114 PolarHBondContact O-N 2.8Å; G114-V118 WeakPolarHBondContact O-CG2 3.45Å; G114-V118 PolarHBondContact O-N 2.75Å
115	V	98.6	Very high	98.1	Very high	11 Å²	11	53.7 Å²	53.7	7%	0.067	28%	0.282	C	S	.	.	H	α-helix	trans	-65.7	-42.4	178.1	170.4	0	0	0	0	110.6	P110 K119 W149 H153 L154	P110-V115 HydrophobicContact CB-CG2 3.83Å; P110-V115 HydrophobicContact CG-CG2 4.2Å; V115-K119 HydrophobicContact CG1-CD 4.14Å; V115-K119 WeakPolarHBondContact O-CB 3.47Å; V115-K119 VanDerWaalsContact O-CG 3.3Å; V115-K119 WeakPolarHBondContact O-CG 3.44Å; V115-K119 PolarHBondContact O-N 2.8Å; V115-K119 VanDerWaalsContact O-N 3.09Å; V115-W149 HydrophobicContact CG2-CH2 4.43Å; V115-H153 WeakPolarHBondContact CG1-O 3.23Å; V115-H153 HydrophobicContact CG2-CB 4.11Å; V115-L154 HydrophobicContact CG1-CD2 4.06Å
116	E	98.6	Very high	98	Very high	119 Å²	119	57.5 Å²	57.5	56%	0.556	30%	0.302	S	S	*	.	H	α-helix	trans	-65.3	-47.7	178.3	-64.9	69.8	-152.7	0	0	110.9	G113 V118 K119 E120	G113-E116 VanDerWaalsContact CA-OE2 3.31Å; G113-E116 WeakPolarHBondContact CA-OE2 3.17Å; G113-E116 PolarHBondContact O-N 2.85Å; E116-V118 PolarHBondContact O-N 3.38Å; E116-K119 PolarHBondContact O-N 3.08Å; E116-E120 WeakPolarHBondContact O-CB 3.38Å; E116-E120 PolarHBondContact O-N 3.33Å
117	A	98.8	Very high	97.9	Very high	5 Å²	5	55.6 Å²	55.6	4%	0.041	29%	0.293	C	S	.	.	H	α-helix	trans	-61.2	-45.4	179.8	0	0	0	0	0	112.1	G113 E120 M121 W217 W221	G113-A117 VanDerWaalsContact O-CB 3.25Å; G113-A117 WeakPolarHBondContact O-CB 3.37Å; G113-A117 PolarHBondContact O-N 3.45Å; A117-E120 PolarHBondContact O-N 3.49Å; A117-M121 VanDerWaalsContact O-CB 3.23Å; A117-M121 WeakPolarHBondContact O-CB 3.45Å; A117-M121 PolarHBondContact O-N 2.86Å; A117-W217 HydrophobicContact CB-CB 4.36Å; A117-W217 HydrophobicContact CB-CD2 3.85Å; A117-W217 HydrophobicContact CB-CE3 3.3Å; A117-W217 HydrophobicContact CB-CG 4.33Å; A117-W217 HydrophobicContact CB-CZ3 3.81Å; A117-W221 HydrophobicContact CB-CZ2 4.27Å
118	V	98.6	Very high	97.9	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-64.7	-42	177.1	168.3	0	0	0	0	111.8	V43 L49 G114 E116 E120 M121 A122 V129 L154 F158 W217	V43-V118 HydrophobicContact CG1-CG2 4.15Å; V43-V118 HydrophobicContact CG2-CG2 4.5Å; L49-V118 HydrophobicContact CD1-CG2 4.31Å; L49-V118 HydrophobicContact CD2-CG2 3.56Å; G114-V118 WeakPolarHBondContact O-CG2 3.45Å; G114-V118 PolarHBondContact O-N 2.75Å; E116-V118 PolarHBondContact O-N 3.38Å; V118-E120 VanDerWaalsContact C-N 3.29Å; V118-E120 PolarHBondContact O-N 2.99Å; V118-M121 PolarHBondContact O-N 3.02Å; V118-A122 WeakPolarHBondContact O-CB 3.48Å; V118-A122 PolarHBondContact O-N 2.79Å; V118-V129 HydrophobicContact CG1-CG1 4.21Å; V118-L154 HydrophobicContact CB-CD2 4.25Å; V118-L154 HydrophobicContact CG1-CD1 4.4Å; V118-L154 HydrophobicContact CG1-CD2 3.96Å; V118-F158 HydrophobicContact CG1-CE1 3.67Å; V118-F158 HydrophobicContact CG1-CE2 4.14Å; V118-F158 HydrophobicContact CG1-CZ 3.33Å; V118-W217 HydrophobicContact CG2-CH2 4.33Å; V118-W217 HydrophobicContact CG2-CZ2 4.47Å
119	K	98.3	Very high	97.8	Very high	70 Å²	70	52.6 Å²	52.6	30%	0.304	28%	0.277	S	S	.	.	H	α-helix	trans	-64.6	-34.1	176.5	-78.6	177.8	-177.7	170.1	0	112.7	V115 E116 R123 H153 L154	V115-K119 HydrophobicContact CG1-CD 4.14Å; V115-K119 WeakPolarHBondContact O-CB 3.47Å; V115-K119 VanDerWaalsContact O-CG 3.3Å; V115-K119 WeakPolarHBondContact O-CG 3.44Å; V115-K119 PolarHBondContact O-N 2.8Å; V115-K119 VanDerWaalsContact O-N 3.09Å; E116-K119 PolarHBondContact O-N 3.08Å; K119-R123 WeakPolarHBondContact O-CG 3.27Å; K119-R123 PolarHBondContact O-NE 3.5Å; K119-R123 VanDerWaalsContact O-NE 3.13Å; K119-H153 WeakPolarHBondContact CE-O 3.32Å; K119-H153 PolarHBondContact NZ-O 3.39Å; K119-L154 HydrophobicContact CG-CD2 3.99Å
120	E	98.4	Very high	97.8	Very high	83 Å²	83	49.9 Å²	49.9	39%	0.388	26%	0.261	S	S	.	.	H	α-helix	trans	-72.7	-47.6	174.8	-170.6	-175.8	152	0	0	110.8	E116 A117 V118 A122 R123 M124 W221 R222	E116-E120 WeakPolarHBondContact O-CB 3.38Å; E116-E120 PolarHBondContact O-N 3.33Å; A117-E120 PolarHBondContact O-N 3.49Å; V118-E120 VanDerWaalsContact C-N 3.29Å; V118-E120 PolarHBondContact O-N 2.99Å; E120-A122 VanDerWaalsContact C-N 3.27Å; E120-A122 PolarHBondContact O-N 3.25Å; E120-R123 WeakPolarHBondContact O-CA 3.38Å; E120-R123 WeakPolarHBondContact O-CB 3.4Å; E120-R123 PolarHBondContact O-N 3.43Å; E120-M124 PolarHBondContact O-N 3.4Å; E120-W221 HydrophobicContact CB-CH2 4.29Å; E120-W221 HydrophobicContact CB-CZ2 4.48Å; E120-W221 HydrophobicContact CG-CH2 4.24Å; E120-R222 IonicContact OE1-CZ 2.88Å; E120-R222 IonicContact OE1-NE 3.34Å; E120-R222 PolarHBondContact OE1-NE 2.9Å; E120-R222 IonicContact OE1-NH2 3.81Å; E120-R222 PolarHBondContact OE1-NH2 2.61Å; E120-R222 IonicContact OE2-CZ 3.87Å; E120-R222 IonicContact OE2-NH2 2.76Å; E120-R222 PolarHBondContact OE2-NH2 3.25Å
121	M	98.3	Very high	97.8	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-55.1	-42.8	178	-169.2	-171.7	-63.9	0	0	111.9	V41 A117 V118 R123 M124 T127 V129 I177 W217 W221 L225	V41-M121 HydrophobicContact CB-SD 3.86Å; V41-M121 HydrophobicContact CG1-CE 4.44Å; V41-M121 HydrophobicContact CG1-SD 3.76Å; V41-M121 HydrophobicContact CG2-SD 4.03Å; A117-M121 VanDerWaalsContact O-CB 3.23Å; A117-M121 WeakPolarHBondContact O-CB 3.45Å; A117-M121 PolarHBondContact O-N 2.86Å; V118-M121 PolarHBondContact O-N 3.02Å; M121-R123 PolarHBondContact O-N 3.41Å; M121-M124 HydrophobicContact CG-SD 4.45Å; M121-M124 WeakPolarHBondContact O-CB 3.49Å; M121-M124 PolarHBondContact O-N 2.71Å; M121-M124 VanDerWaalsContact O-N 3.14Å; M121-T127 HydrophobicContact CG-CG2 4.02Å; M121-V129 HydrophobicContact CB-CG2 3.94Å; M121-V129 HydrophobicContact CG-CG2 3.45Å; M121-V129 VanDerWaalsContact CG-CG2 3.45Å; M121-V129 HydrophobicContact SD-CB 4.47Å; M121-V129 HydrophobicContact SD-CG1 4.03Å; M121-V129 HydrophobicContact SD-CG2 3.57Å; M121-V129 VanDerWaalsContact SD-CG2 3.57Å; M121-I177 HydrophobicContact CE-CD1 4.41Å; M121-W217 HydrophobicContact CE-CH2 4.38Å; M121-W217 HydrophobicContact CE-CZ3 4.08Å; M121-W221 HydrophobicContact CB-CH2 4.41Å; M121-W221 HydrophobicContact CB-CZ3 4.12Å; M121-W221 HydrophobicContact CE-CE3 3.9Å; M121-W221 HydrophobicContact CE-CZ3 4.2Å; M121-W221 HydrophobicContact CG-CZ3 4.3Å; M121-L225 HydrophobicContact CE-CD1 4.16Å; M121-L225 HydrophobicContact CE-CD2 4.17Å; M121-L225 HydrophobicContact CG-CD2 3.62Å; M121-L225 HydrophobicContact SD-CD2 3.97Å
122	A	96.7	Very high	97.9	Very high	18 Å²	18	46 Å²	46	15%	0.149	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-13.1	177.5	0	0	0	0	0	114.5	V118 E120 V129 F158	V118-A122 WeakPolarHBondContact O-CB 3.48Å; V118-A122 PolarHBondContact O-N 2.79Å; E120-A122 VanDerWaalsContact C-N 3.27Å; E120-A122 PolarHBondContact O-N 3.25Å; A122-V129 HydrophobicContact CB-CB 4.43Å; A122-V129 HydrophobicContact CB-CG2 4.22Å; A122-F158 HydrophobicContact CB-CE2 3.66Å; A122-F158 HydrophobicContact CB-CZ 4.06Å
123	R	97.1	Very high	97.9	Very high	183 Å²	183	40.7 Å²	40.7	69%	0.691	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-7.8	173.7	-66.8	177.9	-138.3	-176.9	0.4	112.8	K119 E120 M121	K119-R123 WeakPolarHBondContact O-CG 3.27Å; K119-R123 PolarHBondContact O-NE 3.5Å; K119-R123 VanDerWaalsContact O-NE 3.13Å; E120-R123 WeakPolarHBondContact O-CA 3.38Å; E120-R123 WeakPolarHBondContact O-CB 3.4Å; E120-R123 PolarHBondContact O-N 3.43Å; M121-R123 PolarHBondContact O-N 3.41Å
124	M	96.3	Very high	97.9	Very high	42 Å²	42	40.6 Å²	40.6	21%	0.207	20%	0.197	C	C	.	.	S	Bend	trans	-67.6	142.4	177.1	-65.4	176.2	74.9	0	0	110.1	E120 M121 T127 W221 L225	E120-M124 PolarHBondContact O-N 3.4Å; M121-M124 HydrophobicContact CG-SD 4.45Å; M121-M124 WeakPolarHBondContact O-CB 3.49Å; M121-M124 PolarHBondContact O-N 2.71Å; M121-M124 VanDerWaalsContact O-N 3.14Å; M124-T127 WeakPolarHBondContact CB-OG1 3.35Å; M124-W221 HydrophobicContact SD-CH2 4.15Å; M124-W221 HydrophobicContact SD-CZ3 3.72Å; M124-L225 HydrophobicContact SD-CD2 4.13Å
125	D	94	Very high	97.8	Very high	140 Å²	140	41.7 Å²	41.7	75%	0.749	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	147.4	172.1	-63.9	-42.1	0	0	0	110.4	T127 R229	D125-T127 PolarHBondContact O-N 3.03Å; D125-T127 PolarHBondContact O-OG1 2.99Å; D125-R229 PolarHBondContact O-NH1 2.83Å
126	D	95.3	Very high	97.8	Very high	80 Å²	80	42.7 Å²	42.7	43%	0.428	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	37.5	177.5	-57.5	-40.3	0	0	0	115.1	R38 L39 R229	R38-D126 HydrophobicContact CG-CB 4.43Å; R38-D126 IonicContact NH1-OD1 3.61Å; L39-D126 PolarHBondContact N-O 2.69Å; D126-R229 PolarHBondContact O-NH1 2.64Å
127	T	97.1	Very high	97.7	Very high	3 Å²	3	46 Å²	46	2%	0.018	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	124.9	-178.8	-46.9	0	0	0	0	110.7	R38 L39 V41 M121 M124 D125 V129 L225 R229	R38-T127 PolarHBondContact NH2-O 2.89Å; L39-T127 CarbonylContact O-C 3.53Å; L39-T127 WeakPolarHBondContact O-CA 3.4Å; V41-T127 HydrophobicContact CG2-CG2 4.37Å; M121-T127 HydrophobicContact CG-CG2 4.02Å; M124-T127 WeakPolarHBondContact CB-OG1 3.35Å; D125-T127 PolarHBondContact O-N 3.03Å; D125-T127 PolarHBondContact O-OG1 2.99Å; T127-V129 HydrophobicContact CG2-CG2 4.18Å; T127-L225 HydrophobicContact CG2-CD2 4.18Å; T127-R229 PolarHBondContact OG1-NH1 2.82Å; T127-R229 VanDerWaalsContact OG1-NH1 3.09Å; T127-R229 PolarHBondContact OG1-NH2 3.12Å
128	D	97.9	Very high	97.5	Very high	24 Å²	24	49.4 Å²	49.4	13%	0.128	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	129.5	172.3	-60	-31.6	0	0	0	109.1	R38 L39 R40 V41 F130	R38-D128 IonicContact CZ-OD1 3.61Å; R38-D128 IonicContact NE-OD1 3.92Å; R38-D128 PolarHBondContact NE-OD1 2.96Å; R38-D128 IonicContact NE-OD2 3.21Å; R38-D128 PolarHBondContact NE-OD2 3.1Å; R38-D128 IonicContact NH2-OD1 3.06Å; R38-D128 PolarHBondContact NH2-OD1 3.1Å; L39-D128 PolarHBondContact O-N 2.92Å; R40-D128 WeakPolarHBondContact CA-O 3.47Å; V41-D128 PolarHBondContact N-O 2.61Å; D128-F130 HydrophobicContact CB-CE2 3.83Å
129	V	98.5	Very high	97.4	Very high	6 Å²	6	57.8 Å²	57.8	4%	0.036	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	126	-176.3	-172.9	0	0	0	0	109.4	V41 V43 V118 M121 A122 T127 F158 Q161	V41-V129 WeakPolarHBondContact O-CA 3.17Å; V43-V129 HydrophobicContact CG2-CG1 3.9Å; V118-V129 HydrophobicContact CG1-CG1 4.21Å; M121-V129 HydrophobicContact CB-CG2 3.94Å; M121-V129 HydrophobicContact CG-CG2 3.45Å; M121-V129 VanDerWaalsContact CG-CG2 3.45Å; M121-V129 HydrophobicContact SD-CB 4.47Å; M121-V129 HydrophobicContact SD-CG1 4.03Å; M121-V129 HydrophobicContact SD-CG2 3.57Å; M121-V129 VanDerWaalsContact SD-CG2 3.57Å; A122-V129 HydrophobicContact CB-CB 4.43Å; A122-V129 HydrophobicContact CB-CG2 4.22Å; T127-V129 HydrophobicContact CG2-CG2 4.18Å; V129-F158 HydrophobicContact CB-CZ 4.35Å; V129-F158 HydrophobicContact CG1-CZ 4.27Å; V129-Q161 WeakPolarHBondContact O-CB 3.35Å
130	F	98.9	Very high	97.4	Very high	37 Å²	37	61.5 Å²	61.5	16%	0.162	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	138.4	176.5	-63.3	-92.1	0	0	0	110.4	R40 V41 L42 V43 D128 C132 Q161 I163	R40-F130 HydrophobicContact CG-CD2 3.76Å; R40-F130 HydrophobicContact CG-CE2 3.78Å; V41-F130 PolarHBondContact O-N 2.9Å; L42-F130 CarbonylContact C-O 3.53Å; L42-F130 WeakPolarHBondContact CA-O 2.78Å; L42-F130 HydrophobicContact CD2-CB 3.93Å; L42-F130 HydrophobicContact CD2-CD2 4.46Å; V43-F130 PolarHBondContact N-O 2.67Å; D128-F130 HydrophobicContact CB-CE2 3.83Å; F130-C132 PolarHBondContact O-N 3.33Å; F130-Q161 CarbonylContact C-O 3.58Å; F130-Q161 VanDerWaalsContact CA-O 3.32Å; F130-Q161 WeakPolarHBondContact CA-O 3.41Å; F130-Q161 HydrophobicContact CD1-CB 4.4Å; F130-I163 HydrophobicContact CB-CD1 3.89Å; F130-I163 HydrophobicContact CB-CG1 4.44Å; F130-I163 HydrophobicContact CD1-CD1 3.91Å; F130-I163 HydrophobicContact CD1-CG1 4.29Å; F130-I163 HydrophobicContact CG-CD1 4.03Å
131	I	98.9	Very high	97.4	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	110.1	168.4	-58.9	174.7	0	0	0	107.2	V43 M45 L49 T133 V150 L154 F158 Q161 V162 I163	V43-I131 CarbonylContact O-C 3.6Å; V43-I131 VanDerWaalsContact O-CA 3.31Å; V43-I131 WeakPolarHBondContact O-CA 2.88Å; M45-I131 HydrophobicContact CB-CG2 4.18Å; L49-I131 HydrophobicContact CD1-CD1 4.42Å; L49-I131 HydrophobicContact CD1-CG1 4.36Å; I131-T133 HydrophobicContact CG2-CG2 4.33Å; I131-V150 HydrophobicContact CD1-CB 4.36Å; I131-V150 HydrophobicContact CD1-CG1 3.89Å; I131-V150 HydrophobicContact CD1-CG2 3.49Å; I131-V150 VanDerWaalsContact CD1-CG2 3.49Å; I131-L154 HydrophobicContact CD1-CD1 3.45Å; I131-L154 VanDerWaalsContact CD1-CD1 3.45Å; I131-F158 HydrophobicContact CD1-CD1 3.76Å; I131-F158 HydrophobicContact CD1-CE1 3.98Å; I131-F158 HydrophobicContact CG1-CD1 4.18Å; I131-F158 HydrophobicContact CG1-CE1 3.94Å; I131-Q161 PolarHBondContact N-O 3.37Å; I131-V162 HydrophobicContact CB-CG2 4.49Å; I131-V162 HydrophobicContact CD1-CG2 4.41Å; I131-I163 PolarHBondContact O-N 2.96Å
132	C	98.9	Very high	97.4	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	97.8	-178.7	-171.6	0	0	0	0	109.3	L42 V43 F130 K168	L42-C132 HydrophobicContact CB-CB 3.95Å; L42-C132 HydrophobicContact CD2-CB 4.38Å; V43-C132 PolarHBondContact O-N 3.1Å; F130-C132 PolarHBondContact O-N 3.33Å; C132-K168 WeakPolarHBondContact O-CE 3.36Å; C132-K168 PolarHBondContact O-NZ 2.63Å
133	T	98.8	Very high	97.5	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	152.4	-170.8	-170.8	0	0	0	0	112.8	M45 I131 K146 I163 L164 T165	M45-T133 HydrophobicContact CB-CG2 4.17Å; M45-T133 WeakPolarHBondContact CB-OG1 3.21Å; M45-T133 HydrophobicContact SD-CG2 4.13Å; I131-T133 HydrophobicContact CG2-CG2 4.33Å; T133-K146 HydrophobicContact CG2-CD 3.88Å; T133-K146 PolarHBondContact OG1-NZ 2.89Å; T133-I163 PolarHBondContact N-O 3.15Å; T133-L164 HydrophobicContact CG2-CD2 3.48Å; T133-L164 VanDerWaalsContact CG2-CD2 3.48Å; T133-L164 WeakPolarHBondContact O-CA 3.4Å; T133-T165 PolarHBondContact O-N 2.99Å
134	S	98.6	Very high	97.6	Very high	30 Å²	30	59.5 Å²	59.5	21%	0.21	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-99.6	124.9	-178	-69.2	0	0	0	0	112.2	T165	S134-T165 WeakPolarHBondContact CA-O 3.28Å; S134-T165 WeakPolarHBondContact CB-O 3.41Å; S134-T165 PolarHBondContact OG-O 3.36Å
135	P	98.1	Very high	97.7	Very high	24 Å²	24	57.8 Å²	57.8	16%	0.156	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-70.4	152	171.4	30.2	-33.9	0	0	0	110.4	P143 R166	P135-P143 HydrophobicContact CB-CG 4.22Å; P135-R166 HydrophobicContact CG-CG 4.31Å; P135-R166 WeakPolarHBondContact O-CD 3.15Å; P135-R166 PolarHBondContact O-NH1 3.32Å
136	I	97.8	Very high	97.9	Very high	31 Å²	31	51.1 Å²	51.1	16%	0.159	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-70.9	159.7	165.6	61.4	169.6	0	0	0	110.5	E100 F105 H138 C142	E100-I136 HydrophobicContact CG-CD1 4.2Å; F105-I136 HydrophobicContact CE2-CD1 3.86Å; F105-I136 HydrophobicContact CE2-CG1 4.26Å; F105-I136 HydrophobicContact CZ-CD1 4Å; F105-I136 HydrophobicContact CZ-CG1 4.16Å; F105-I136 HydrophobicContact CZ-CG2 3.8Å; I136-H138 VanDerWaalsContact C-N 3.32Å; I136-H138 HydrophobicContact CD1-CB 4.23Å; I136-H138 WeakPolarHBondContact CD1-O 3.49Å; I136-H138 WeakPolarHBondContact CG1-O 3.47Å; I136-H138 PolarHBondContact O-N 2.77Å; I136-C142 HydrophobicContact CD1-CB 4.12Å; I136-C142 HydrophobicContact CG1-CB 3.56Å
137	K	95.8	Very high	98.1	Very high	189 Å²	189	51.6 Å²	51.6	82%	0.822	23%	0.23	S	C	*	.	S	Bend	trans	-62.6	-38.2	178.7	-68.5	-175.4	179.3	-179.5	0	112.4	Y139	K137-Y139 PolarHBondContact O-N 2.93Å
138	H	95.8	Very high	98.2	Very high	76 Å²	76	52 Å²	52	35%	0.352	23%	0.234	S	C	.	.	S	Bend	trans	-76.2	76.3	172.9	-165	99.1	0	0	0	110.2	E100 I136 K140	E100-H138 HydrophobicContact CG-CB 3.73Å; E100-H138 WeakPolarHBondContact OE1-CB 3.5Å; E100-H138 IonicContact OE1-CG 2.71Å; E100-H138 IonicContact OE1-ND1 3.02Å; E100-H138 IonicContact OE2-CG 2.79Å; E100-H138 IonicContact OE2-ND1 3.73Å; I136-H138 VanDerWaalsContact C-N 3.32Å; I136-H138 HydrophobicContact CD1-CB 4.23Å; I136-H138 WeakPolarHBondContact CD1-O 3.49Å; I136-H138 WeakPolarHBondContact CG1-O 3.47Å; I136-H138 PolarHBondContact O-N 2.77Å; H138-K140 PolarHBondContact O-N 2.8Å; H138-K140 VanDerWaalsContact O-N 3.1Å
139	Y	96.1	Very high	98.2	Very high	177 Å²	177	50.9 Å²	50.9	69%	0.694	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-8	-167.3	71.8	-92.9	0	0	0	114.7	K137 H141 C142 P143	K137-Y139 PolarHBondContact O-N 2.93Å; Y139-H141 PolarHBondContact O-N 3.03Å; Y139-C142 PolarHBondContact O-N 3.05Å; Y139-P143 WeakPolarHBondContact O-CD 3.48Å
140	K	98.1	Very high	98.2	Very high	148 Å²	148	50.6 Å²	50.6	64%	0.643	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-34.9	-167.1	-173	176	179.4	176.7	0	114.2	H138	H138-K140 PolarHBondContact O-N 2.8Å; H138-K140 VanDerWaalsContact O-N 3.1Å
141	H	98.2	Very high	98.2	Very high	42 Å²	42	53.7 Å²	53.7	19%	0.194	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.6	-33.5	-176.9	-61.7	-53.3	0	0	0	113.1	E100 Y139 E145	E100-H141 PolarHBondContact O-CD2 3.38Å; Y139-H141 PolarHBondContact O-N 3.03Å; H141-E145 WeakPolarHBondContact O-CB 3.48Å; H141-E145 VanDerWaalsContact O-CG 3.27Å; H141-E145 WeakPolarHBondContact O-CG 3.47Å; H141-E145 PolarHBondContact O-N 3.14Å; H141-E145 VanDerWaalsContact O-N 3.12Å
142	C	98.6	Very high	98.2	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-63.6	-54.3	-166	172.9	0	0	0	0	116	F105 I136 Y139 Y144 E145 K146	F105-C142 HydrophobicContact CD2-CB 3.79Å; F105-C142 HydrophobicContact CE2-CB 3.45Å; F105-C142 VanDerWaalsContact CE2-CB 3.45Å; F105-C142 HydrophobicContact CZ-CB 3.99Å; I136-C142 HydrophobicContact CD1-CB 4.12Å; I136-C142 HydrophobicContact CG1-CB 3.56Å; Y139-C142 PolarHBondContact O-N 3.05Å; C142-Y144 PolarHBondContact O-N 2.9Å; C142-E145 PolarHBondContact O-N 2.97Å; C142-K146 WeakPolarHBondContact O-CG 3.44Å; C142-K146 PolarHBondContact O-N 2.93Å; C142-K146 WeakPolarHBondContact SG-CE 3.37Å
143	P	98.7	Very high	98.2	Very high	33 Å²	33	61.1 Å²	61.1	21%	0.214	27%	0.274	C	S	.	.	H	α-helix	trans	-59	-49	-175.8	-25.4	37	0	0	0	112.4	P135 Y139 E145 K146 Y147 L164	P135-P143 HydrophobicContact CB-CG 4.22Å; Y139-P143 WeakPolarHBondContact O-CD 3.48Å; P143-E145 PolarHBondContact O-N 2.93Å; P143-K146 PolarHBondContact O-N 3.12Å; P143-Y147 WeakPolarHBondContact O-CD2 3.29Å; P143-Y147 PolarHBondContact O-N 2.84Å; P143-L164 HydrophobicContact CB-CD1 3.78Å
144	Y	98.6	Very high	98.2	Very high	167 Å²	167	61.9 Å²	61.9	66%	0.655	28%	0.278	S	S	*	.	H	α-helix	trans	-58.6	-48.9	177.2	163.7	-98.8	0	0	0	111.5	C142 K146 Y147 A148	C142-Y144 PolarHBondContact O-N 2.9Å; Y144-K146 VanDerWaalsContact C-N 3.28Å; Y144-K146 PolarHBondContact O-N 2.84Å; Y144-Y147 PolarHBondContact O-N 2.92Å; Y144-A148 WeakPolarHBondContact O-CB 3.47Å; Y144-A148 PolarHBondContact O-N 2.92Å
145	E	98.8	Very high	98.1	Very high	6 Å²	6	61.7 Å²	61.7	3%	0.028	28%	0.281	C	S	.	.	H	α-helix	trans	-66.1	-30.5	-177.5	-74.1	-179.8	-161.8	0	0	112.7	G103 F104 F105 I106 H141 C142 P143 A148 W149	G103-E145 WeakPolarHBondContact CA-OE2 3.4Å; G103-E145 PolarHBondContact N-OE1 3.29Å; G103-E145 PolarHBondContact N-OE2 3.38Å; F104-E145 PolarHBondContact N-OE2 2.99Å; F105-E145 HydrophobicContact CB-CB 3.78Å; F105-E145 PolarHBondContact N-OE2 3.08Å; I106-E145 HydrophobicContact CB-CB 4.03Å; I106-E145 HydrophobicContact CB-CG 4.1Å; I106-E145 HydrophobicContact CG2-CG 4.12Å; I106-E145 PolarHBondContact N-OE2 2.96Å; H141-E145 WeakPolarHBondContact O-CB 3.48Å; H141-E145 VanDerWaalsContact O-CG 3.27Å; H141-E145 WeakPolarHBondContact O-CG 3.47Å; H141-E145 PolarHBondContact O-N 3.14Å; H141-E145 VanDerWaalsContact O-N 3.12Å; C142-E145 PolarHBondContact O-N 2.97Å; P143-E145 PolarHBondContact O-N 2.93Å; E145-A148 PolarHBondContact O-N 3.18Å; E145-W149 VanDerWaalsContact O-CB 3.28Å; E145-W149 WeakPolarHBondContact O-CB 3.23Å; E145-W149 PolarHBondContact O-N 2.84Å
146	K	98.8	Very high	98	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-65.5	-46.6	172.9	-75.4	-179.5	170.7	-75.7	0	111.9	M45 D46 F105 T133 C142 P143 Y144 W149 V150 L164	M45-K146 HydrophobicContact CE-CB 4.13Å; M45-K146 HydrophobicContact CE-CG 4.08Å; M45-K146 HydrophobicContact SD-CB 3.87Å; M45-K146 HydrophobicContact SD-CD 4.08Å; M45-K146 HydrophobicContact SD-CG 3.7Å; D46-K146 IonicContact OD1-NZ 3.71Å; D46-K146 PolarHBondContact OD1-NZ 3.13Å; D46-K146 IonicContact OD2-NZ 3.99Å; D46-K146 PolarHBondContact OD2-NZ 2.87Å; F105-K146 HydrophobicContact CD1-CG 4.45Å; T133-K146 HydrophobicContact CG2-CD 3.88Å; T133-K146 PolarHBondContact OG1-NZ 2.89Å; C142-K146 WeakPolarHBondContact O-CG 3.44Å; C142-K146 PolarHBondContact O-N 2.93Å; C142-K146 WeakPolarHBondContact SG-CE 3.37Å; P143-K146 PolarHBondContact O-N 3.12Å; Y144-K146 VanDerWaalsContact C-N 3.28Å; Y144-K146 PolarHBondContact O-N 2.84Å; K146-W149 PolarHBondContact O-N 3.22Å; K146-V150 WeakPolarHBondContact O-CG2 3.49Å; K146-V150 PolarHBondContact O-N 2.69Å; K146-L164 HydrophobicContact CD-CD2 4.1Å
147	Y	98.8	Very high	97.9	Very high	89 Å²	89	66.1 Å²	66.1	35%	0.349	31%	0.309	S	S	.	.	H	α-helix	trans	-60.5	-45.9	173.1	-83.5	-82.8	0	0	0	111.7	P143 Y144 W149 V150 E151 L159 V162 L164	P143-Y147 WeakPolarHBondContact O-CD2 3.29Å; P143-Y147 PolarHBondContact O-N 2.84Å; Y144-Y147 PolarHBondContact O-N 2.92Å; Y147-W149 VanDerWaalsContact C-N 3.29Å; Y147-W149 PolarHBondContact O-N 3.38Å; Y147-V150 WeakPolarHBondContact O-CB 3.42Å; Y147-V150 PolarHBondContact O-N 3.16Å; Y147-V150 VanDerWaalsContact O-N 3.14Å; Y147-E151 PolarHBondContact O-N 3.11Å; Y147-L159 HydrophobicContact CD1-CD2 3.83Å; Y147-L159 VanDerWaalsContact O-CD2 3.24Å; Y147-L159 WeakPolarHBondContact O-CD2 3.37Å; Y147-V162 HydrophobicContact CD1-CB 4.2Å; Y147-V162 HydrophobicContact CD1-CG1 4.29Å; Y147-V162 HydrophobicContact CD1-CG2 4.22Å; Y147-V162 HydrophobicContact CE1-CB 3.6Å; Y147-V162 HydrophobicContact CE1-CG1 3.81Å; Y147-V162 HydrophobicContact CE1-CG2 4.09Å; Y147-V162 HydrophobicContact CE2-CG1 4.25Å; Y147-L164 HydrophobicContact CD2-CD1 4.16Å; Y147-L164 HydrophobicContact CE2-CD1 3.53Å; Y147-L164 HydrophobicContact CE2-CG 4.09Å
148	A	98.8	Very high	97.9	Very high	12 Å²	12	57.7 Å²	57.7	10%	0.099	27%	0.272	C	S	.	.	H	α-helix	trans	-62.9	-35.8	179.2	0	0	0	0	0	112.5	I106 Y144 E145 K152	I106-A148 HydrophobicContact CD1-CB 3.57Å; I106-A148 HydrophobicContact CG1-CB 4.24Å; Y144-A148 WeakPolarHBondContact O-CB 3.47Å; Y144-A148 PolarHBondContact O-N 2.92Å; E145-A148 PolarHBondContact O-N 3.18Å; A148-K152 VanDerWaalsContact O-CB 3.25Å; A148-K152 WeakPolarHBondContact O-CB 3.45Å; A148-K152 PolarHBondContact O-N 3.43Å
149	W	98.9	Very high	98.1	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-65.1	-43.1	173.5	-171.6	100.9	0	0	0	111.5	M45 L49 A50 F105 L108 P110 V115 E145 K146 Y147 K152 H153	M45-W149 HydrophobicContact CE-CB 3.66Å; M45-W149 HydrophobicContact CE-CD2 3.55Å; M45-W149 HydrophobicContact CE-CE3 3.42Å; M45-W149 VanDerWaalsContact CE-CE3 3.42Å; M45-W149 HydrophobicContact CE-CG 3.67Å; M45-W149 HydrophobicContact CE-CZ3 4.27Å; L49-W149 HydrophobicContact CB-CH2 3.95Å; L49-W149 HydrophobicContact CB-CZ3 4.23Å; A50-W149 HydrophobicContact CB-CH2 4.29Å; A50-W149 HydrophobicContact CB-CZ2 3.77Å; F105-W149 VanDerWaalsContact O-CD1 3.29Å; L108-W149 PolarHBondContact O-NE1 2.96Å; P110-W149 HydrophobicContact CB-CH2 4.45Å; P110-W149 HydrophobicContact CB-CZ2 4.12Å; P110-W149 HydrophobicContact CG-CZ2 3.95Å; V115-W149 HydrophobicContact CG2-CH2 4.43Å; E145-W149 VanDerWaalsContact O-CB 3.28Å; E145-W149 WeakPolarHBondContact O-CB 3.23Å; E145-W149 PolarHBondContact O-N 2.84Å; K146-W149 PolarHBondContact O-N 3.22Å; Y147-W149 VanDerWaalsContact C-N 3.29Å; Y147-W149 PolarHBondContact O-N 3.38Å; W149-K152 PolarHBondContact O-N 3.42Å; W149-H153 AromaticContact CD1-CD2 3.74Å; W149-H153 AromaticContact CD1-NE2 3.93Å; W149-H153 AromaticContact CD2-CD2 3.53Å; W149-H153 AromaticContact CE2-CD2 3.35Å; W149-H153 AromaticContact CE2-NE2 3.88Å; W149-H153 HydrophobicContact CE3-CB 4.35Å; W149-H153 AromaticContact CG-CD2 3.79Å; W149-H153 HydrophobicContact CH2-CB 4.27Å; W149-H153 AromaticContact CZ2-CD2 3.82Å; W149-H153 HydrophobicContact CZ3-CB 4.19Å; W149-H153 AromaticContact NE1-CD2 3.47Å; W149-H153 PolarHBondContact NE1-CD2 3Å; W149-H153 AromaticContact NE1-NE2 3.57Å; W149-H153 PolarHBondContact O-CD2 2.94Å; W149-H153 VanDerWaalsContact O-CD2 3.26Å; W149-H153 PolarHBondContact O-N 2.99Å
150	V	98.9	Very high	98.1	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-60.6	-47.4	175.3	171	0	0	0	0	110.8	M45 I131 K146 Y147 K152 H153 L154 G155 F158 L159 V162	M45-V150 HydrophobicContact CE-CG2 4.43Å; I131-V150 HydrophobicContact CD1-CB 4.36Å; I131-V150 HydrophobicContact CD1-CG1 3.89Å; I131-V150 HydrophobicContact CD1-CG2 3.49Å; I131-V150 VanDerWaalsContact CD1-CG2 3.49Å; K146-V150 WeakPolarHBondContact O-CG2 3.49Å; K146-V150 PolarHBondContact O-N 2.69Å; Y147-V150 WeakPolarHBondContact O-CB 3.42Å; Y147-V150 PolarHBondContact O-N 3.16Å; Y147-V150 VanDerWaalsContact O-N 3.14Å; V150-K152 VanDerWaalsContact C-N 3.34Å; V150-K152 PolarHBondContact O-N 3.06Å; V150-H153 PolarHBondContact O-N 3.43Å; V150-L154 HydrophobicContact CG1-CB 4.32Å; V150-L154 HydrophobicContact CG1-CD1 4.23Å; V150-L154 WeakPolarHBondContact O-CA 3.27Å; V150-L154 WeakPolarHBondContact O-CB 3.5Å; V150-L154 PolarHBondContact O-N 3.22Å; V150-G155 PolarHBondContact O-N 3.31Å; V150-F158 HydrophobicContact CG1-CB 4.03Å; V150-F158 HydrophobicContact CG1-CD1 4.45Å; V150-L159 HydrophobicContact CB-CD2 4.22Å; V150-L159 HydrophobicContact CG1-CD2 4.1Å; V150-V162 HydrophobicContact CB-CG2 4.27Å; V150-V162 HydrophobicContact CG1-CG2 3.92Å; V150-V162 HydrophobicContact CG2-CG2 4.01Å
151	E	98.8	Very high	98.2	Very high	102 Å²	102	48.9 Å²	48.9	48%	0.477	24%	0.24	S	C	.	.	H	α-helix	trans	-57.8	-47.5	175.8	-174.4	177.6	-151.2	0	0	111.5	Y147 H153 G155 L159	Y147-E151 PolarHBondContact O-N 3.11Å; E151-H153 PolarHBondContact O-N 2.77Å; E151-G155 WeakPolarHBondContact O-CA 3.43Å; E151-G155 PolarHBondContact O-N 2.85Å; E151-L159 HydrophobicContact CB-CD1 4.24Å; E151-L159 HydrophobicContact CB-CD2 4.03Å; E151-L159 HydrophobicContact CB-CG 4.41Å; E151-L159 HydrophobicContact CG-CD1 4.38Å
152	K	98.5	Very high	98.2	Very high	120 Å²	120	47.6 Å²	47.6	52%	0.522	24%	0.235	S	C	.	.	H	α-helix	trans	-59.9	-41	-178.4	177	-175.4	170.4	-153.7	0	112.8	I106 A148 W149 V150	I106-K152 PolarHBondContact O-NZ 3.45Å; A148-K152 VanDerWaalsContact O-CB 3.25Å; A148-K152 WeakPolarHBondContact O-CB 3.45Å; A148-K152 PolarHBondContact O-N 3.43Å; W149-K152 PolarHBondContact O-N 3.42Å; V150-K152 VanDerWaalsContact C-N 3.34Å; V150-K152 PolarHBondContact O-N 3.06Å
153	H	98.6	Very high	98.2	Very high	37 Å²	37	49.7 Å²	49.7	17%	0.171	25%	0.246	C	C	.	.	H	α-helix	trans	-103.4	-36.6	-170.5	-69	-73.6	0	0	0	113.7	P110 V115 K119 W149 V150 E151	P110-H153 VanDerWaalsContact CG-CE1 3.5Å; P110-H153 WeakPolarHBondContact CG-CE1 3.16Å; P110-H153 WeakPolarHBondContact CG-ND1 3.23Å; V115-H153 WeakPolarHBondContact CG1-O 3.23Å; V115-H153 HydrophobicContact CG2-CB 4.11Å; K119-H153 WeakPolarHBondContact CE-O 3.32Å; K119-H153 PolarHBondContact NZ-O 3.39Å; W149-H153 AromaticContact CD1-CD2 3.74Å; W149-H153 AromaticContact CD1-NE2 3.93Å; W149-H153 AromaticContact CD2-CD2 3.53Å; W149-H153 AromaticContact CE2-CD2 3.35Å; W149-H153 AromaticContact CE2-NE2 3.88Å; W149-H153 HydrophobicContact CE3-CB 4.35Å; W149-H153 AromaticContact CG-CD2 3.79Å; W149-H153 HydrophobicContact CH2-CB 4.27Å; W149-H153 AromaticContact CZ2-CD2 3.82Å; W149-H153 HydrophobicContact CZ3-CB 4.19Å; W149-H153 AromaticContact NE1-CD2 3.47Å; W149-H153 PolarHBondContact NE1-CD2 3Å; W149-H153 AromaticContact NE1-NE2 3.57Å; W149-H153 PolarHBondContact O-CD2 2.94Å; W149-H153 VanDerWaalsContact O-CD2 3.26Å; W149-H153 PolarHBondContact O-N 2.99Å; V150-H153 PolarHBondContact O-N 3.43Å; E151-H153 PolarHBondContact O-N 2.77Å
154	L	98.2	Very high	98.2	Very high	16 Å²	16	50.6 Å²	50.6	8%	0.084	25%	0.249	C	C	.	.	H	α-helix	trans	-103.4	-23.3	-176.5	-65.9	166.2	0	0	0	113.1	V115 V118 K119 I131 V150 F158	V115-L154 HydrophobicContact CG1-CD2 4.06Å; V118-L154 HydrophobicContact CB-CD2 4.25Å; V118-L154 HydrophobicContact CG1-CD1 4.4Å; V118-L154 HydrophobicContact CG1-CD2 3.96Å; K119-L154 HydrophobicContact CG-CD2 3.99Å; I131-L154 HydrophobicContact CD1-CD1 3.45Å; I131-L154 VanDerWaalsContact CD1-CD1 3.45Å; V150-L154 HydrophobicContact CG1-CB 4.32Å; V150-L154 HydrophobicContact CG1-CD1 4.23Å; V150-L154 WeakPolarHBondContact O-CA 3.27Å; V150-L154 WeakPolarHBondContact O-CB 3.5Å; V150-L154 PolarHBondContact O-N 3.22Å; L154-F158 HydrophobicContact CB-CB 3.77Å; L154-F158 HydrophobicContact CB-CD1 4.27Å; L154-F158 HydrophobicContact CB-CD2 4.46Å; L154-F158 HydrophobicContact CB-CG 3.91Å; L154-F158 HydrophobicContact CD1-CD1 3.83Å; L154-F158 HydrophobicContact CD1-CE1 4.19Å; L154-F158 HydrophobicContact CD1-CG 4.33Å
155	G	97.4	Very high	98.2	Very high	27 Å²	27	43.9 Å²	43.9	28%	0.278	23%	0.226	S	C	.	.			trans	100.8	162.3	-179.9	0	0	0	0	0	112.9	V150 E151 D157 F158	V150-G155 PolarHBondContact O-N 3.31Å; E151-G155 WeakPolarHBondContact O-CA 3.43Å; E151-G155 PolarHBondContact O-N 2.85Å; G155-D157 VanDerWaalsContact C-N 3.31Å; G155-D157 PolarHBondContact O-N 3.44Å; G155-F158 PolarHBondContact O-N 3.08Å; G155-F158 VanDerWaalsContact O-N 3.1Å
156	C	96.8	Very high	98.2	Very high	75 Å²	75	49.8 Å²	49.8	51%	0.507	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-58.3	-38.2	-174.1	-174	0	0	0	0	113.2	F158 L159	C156-F158 PolarHBondContact O-N 3.22Å; C156-F158 VanDerWaalsContact O-N 3.13Å; C156-L159 VanDerWaalsContact O-CB 3.3Å; C156-L159 WeakPolarHBondContact O-CB 3.2Å; C156-L159 VanDerWaalsContact O-CG 3.29Å; C156-L159 WeakPolarHBondContact O-CG 2.99Å; C156-L159 PolarHBondContact O-N 3.33Å
157	D	93.9	Very high	98.2	Very high	73 Å²	73	51.1 Å²	51.1	39%	0.39	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-63.1	-22.7	-179.7	-61.1	-34.6	0	0	0	112.9	I25 G155 L159	I25-D157 VanDerWaalsContact O-OD2 3.12Å; G155-D157 VanDerWaalsContact C-N 3.31Å; G155-D157 PolarHBondContact O-N 3.44Å; D157-L159 VanDerWaalsContact C-N 3.31Å
158	F	97.7	Very high	98.2	Very high	11 Å²	11	47.5 Å²	47.5	5%	0.048	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-80.9	-9.8	178.9	-130.9	-92.2	0	0	0	113.5	I27 V118 A122 V129 I131 V150 L154 G155 C156 E160 Q161	I27-F158 HydrophobicContact CD1-CD2 4.49Å; V118-F158 HydrophobicContact CG1-CE1 3.67Å; V118-F158 HydrophobicContact CG1-CE2 4.14Å; V118-F158 HydrophobicContact CG1-CZ 3.33Å; A122-F158 HydrophobicContact CB-CE2 3.66Å; A122-F158 HydrophobicContact CB-CZ 4.06Å; V129-F158 HydrophobicContact CB-CZ 4.35Å; V129-F158 HydrophobicContact CG1-CZ 4.27Å; I131-F158 HydrophobicContact CD1-CD1 3.76Å; I131-F158 HydrophobicContact CD1-CE1 3.98Å; I131-F158 HydrophobicContact CG1-CD1 4.18Å; I131-F158 HydrophobicContact CG1-CE1 3.94Å; V150-F158 HydrophobicContact CG1-CB 4.03Å; V150-F158 HydrophobicContact CG1-CD1 4.45Å; L154-F158 HydrophobicContact CB-CB 3.77Å; L154-F158 HydrophobicContact CB-CD1 4.27Å; L154-F158 HydrophobicContact CB-CD2 4.46Å; L154-F158 HydrophobicContact CB-CG 3.91Å; L154-F158 HydrophobicContact CD1-CD1 3.83Å; L154-F158 HydrophobicContact CD1-CE1 4.19Å; L154-F158 HydrophobicContact CD1-CG 4.33Å; G155-F158 PolarHBondContact O-N 3.08Å; G155-F158 VanDerWaalsContact O-N 3.1Å; C156-F158 PolarHBondContact O-N 3.22Å; C156-F158 VanDerWaalsContact O-N 3.13Å; F158-E160 PolarHBondContact O-N 2.97Å; F158-Q161 HydrophobicContact CD1-CB 4.07Å; F158-Q161 HydrophobicContact CD1-CG 4.45Å; F158-Q161 HydrophobicContact CE1-CB 4.14Å; F158-Q161 WeakPolarHBondContact O-CB 3.47Å; F158-Q161 PolarHBondContact O-N 3.49Å
159	L	98.2	Very high	98.2	Very high	39 Å²	39	47.2 Å²	47.2	20%	0.204	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-63.6	-31	177.1	-64.2	171.7	0	0	0	112.1	Y147 V150 E151 C156 D157 Q161 V162	Y147-L159 HydrophobicContact CD1-CD2 3.83Å; Y147-L159 VanDerWaalsContact O-CD2 3.24Å; Y147-L159 WeakPolarHBondContact O-CD2 3.37Å; V150-L159 HydrophobicContact CB-CD2 4.22Å; V150-L159 HydrophobicContact CG1-CD2 4.1Å; E151-L159 HydrophobicContact CB-CD1 4.24Å; E151-L159 HydrophobicContact CB-CD2 4.03Å; E151-L159 HydrophobicContact CB-CG 4.41Å; E151-L159 HydrophobicContact CG-CD1 4.38Å; C156-L159 VanDerWaalsContact O-CB 3.3Å; C156-L159 WeakPolarHBondContact O-CB 3.2Å; C156-L159 VanDerWaalsContact O-CG 3.29Å; C156-L159 WeakPolarHBondContact O-CG 2.99Å; C156-L159 PolarHBondContact O-N 3.33Å; D157-L159 VanDerWaalsContact C-N 3.31Å; L159-Q161 PolarHBondContact O-N 2.81Å; L159-V162 PolarHBondContact O-N 2.89Å
160	E	97.7	Very high	98.1	Very high	163 Å²	163	52.5 Å²	52.5	76%	0.762	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-66.5	-13.7	175.3	-60.1	-60.6	147.3	0	0	113	F158	F158-E160 PolarHBondContact O-N 2.97Å
161	Q	98.4	Very high	98.1	Very high	14 Å²	14	54.1 Å²	54.1	7%	0.065	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-102.2	7.2	-177.2	-51.1	-53.4	-28.1	0	0	113.2	V129 F130 I131 F158 L159	V129-Q161 WeakPolarHBondContact O-CB 3.35Å; F130-Q161 CarbonylContact C-O 3.58Å; F130-Q161 VanDerWaalsContact CA-O 3.32Å; F130-Q161 WeakPolarHBondContact CA-O 3.41Å; F130-Q161 HydrophobicContact CD1-CB 4.4Å; I131-Q161 PolarHBondContact N-O 3.37Å; F158-Q161 HydrophobicContact CD1-CB 4.07Å; F158-Q161 HydrophobicContact CD1-CG 4.45Å; F158-Q161 HydrophobicContact CE1-CB 4.14Å; F158-Q161 WeakPolarHBondContact O-CB 3.47Å; F158-Q161 PolarHBondContact O-N 3.49Å; L159-Q161 PolarHBondContact O-N 2.81Å
162	V	98.8	Very high	98.1	Very high	15 Å²	15	52 Å²	52	9%	0.091	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	124	-178.6	-179.4	0	0	0	0	110.8	I131 Y147 V150 L159 L164	I131-V162 HydrophobicContact CB-CG2 4.49Å; I131-V162 HydrophobicContact CD1-CG2 4.41Å; Y147-V162 HydrophobicContact CD1-CB 4.2Å; Y147-V162 HydrophobicContact CD1-CG1 4.29Å; Y147-V162 HydrophobicContact CD1-CG2 4.22Å; Y147-V162 HydrophobicContact CE1-CB 3.6Å; Y147-V162 HydrophobicContact CE1-CG1 3.81Å; Y147-V162 HydrophobicContact CE1-CG2 4.09Å; Y147-V162 HydrophobicContact CE2-CG1 4.25Å; V150-V162 HydrophobicContact CB-CG2 4.27Å; V150-V162 HydrophobicContact CG1-CG2 3.92Å; V150-V162 HydrophobicContact CG2-CG2 4.01Å; L159-V162 PolarHBondContact O-N 2.89Å; V162-L164 HydrophobicContact CG1-CD2 4.49Å; V162-L164 HydrophobicContact CG1-CG 4.28Å
163	I	98.9	Very high	98	Very high	44 Å²	44	46.5 Å²	46.5	23%	0.226	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	110.6	172	-56.9	173.9	0	0	0	107.9	F130 I131 T133 T165 I171	F130-I163 HydrophobicContact CB-CD1 3.89Å; F130-I163 HydrophobicContact CB-CG1 4.44Å; F130-I163 HydrophobicContact CD1-CD1 3.91Å; F130-I163 HydrophobicContact CD1-CG1 4.29Å; F130-I163 HydrophobicContact CG-CD1 4.03Å; I131-I163 PolarHBondContact O-N 2.96Å; T133-I163 PolarHBondContact N-O 3.15Å; I163-T165 HydrophobicContact CG2-CG2 4.28Å; I163-I171 HydrophobicContact CD1-CG2 3.92Å; I163-I171 HydrophobicContact CG2-CD1 3.96Å; I163-I171 HydrophobicContact CG2-CG1 4.25Å
164	L	98.7	Very high	98	Very high	52 Å²	52	46.2 Å²	46.2	27%	0.272	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	112	170.5	-71.4	-177.9	0	0	0	110.3	T133 P143 K146 Y147 V162	T133-L164 HydrophobicContact CG2-CD2 3.48Å; T133-L164 VanDerWaalsContact CG2-CD2 3.48Å; T133-L164 WeakPolarHBondContact O-CA 3.4Å; P143-L164 HydrophobicContact CB-CD1 3.78Å; K146-L164 HydrophobicContact CD-CD2 4.1Å; Y147-L164 HydrophobicContact CD2-CD1 4.16Å; Y147-L164 HydrophobicContact CE2-CD1 3.53Å; Y147-L164 HydrophobicContact CE2-CG 4.09Å; V162-L164 HydrophobicContact CG1-CD2 4.49Å; V162-L164 HydrophobicContact CG1-CG 4.28Å
165	T	98.7	Very high	98	Very high	27 Å²	27	45.5 Å²	45.5	17%	0.166	25%	0.247	C	C	.	.			trans	-147.3	142.2	176	-177	0	0	0	0	112	T133 S134 I163 D167 K168 I171	T133-T165 PolarHBondContact O-N 2.99Å; S134-T165 WeakPolarHBondContact CA-O 3.28Å; S134-T165 WeakPolarHBondContact CB-O 3.41Å; S134-T165 PolarHBondContact OG-O 3.36Å; I163-T165 HydrophobicContact CG2-CG2 4.28Å; T165-D167 VanDerWaalsContact C-N 3.33Å; T165-D167 WeakPolarHBondContact CG2-O 3.43Å; T165-D167 PolarHBondContact OG1-N 3.34Å; T165-D167 PolarHBondContact OG1-O 3.13Å; T165-K168 HydrophobicContact CG2-CG 4.08Å; T165-I171 HydrophobicContact CG2-CD1 4.16Å; T165-I171 HydrophobicContact CG2-CG1 3.77Å
166	R	98.4	Very high	98.1	Very high	129 Å²	129	44.2 Å²	44.2	49%	0.487	23%	0.234	S	C	.	.	S	Bend	trans	-81.3	-18	169.1	-69.6	-67.5	-56.5	175.3	4.6	112.6	P135	P135-R166 HydrophobicContact CG-CG 4.31Å; P135-R166 WeakPolarHBondContact O-CD 3.15Å; P135-R166 PolarHBondContact O-NH1 3.32Å
167	D	98.6	Very high	98.2	Very high	28 Å²	28	40.7 Å²	40.7	15%	0.15	21%	0.21	C	C	.	.			trans	-122	102.1	179.4	-169.9	-21.4	0	0	0	109	T165 T169 L170 G185 V186	T165-D167 VanDerWaalsContact C-N 3.33Å; T165-D167 WeakPolarHBondContact CG2-O 3.43Å; T165-D167 PolarHBondContact OG1-N 3.34Å; T165-D167 PolarHBondContact OG1-O 3.13Å; D167-T169 VanDerWaalsContact C-N 3.33Å; D167-T169 WeakPolarHBondContact OD1-CB 3.46Å; D167-T169 PolarHBondContact OD1-N 3.47Å; D167-T169 PolarHBondContact OD1-OG1 3.06Å; D167-L170 HydrophobicContact CB-CD1 4.31Å; D167-G185 WeakPolarHBondContact OD1-CA 3.27Å; D167-G185 WeakPolarHBondContact OD2-CA 3.35Å; D167-V186 WeakPolarHBondContact OD2-CG2 3.27Å; D167-V186 PolarHBondContact OD2-N 2.88Å
168	K	98.8	Very high	98.5	Very high	13 Å²	13	37.4 Å²	37.4	6%	0.057	19%	0.192	C	C	.	.	S	Bend	trans	-81.6	-14	179.5	-59	-170.9	-173.9	-173.3	0	112.3	D44 C132 T165 L170 I171 L176 D178 I183 W192	D44-K168 IonicContact OD1-NZ 2.92Å; D44-K168 PolarHBondContact OD1-NZ 2.77Å; D44-K168 IonicContact OD2-NZ 2.73Å; C132-K168 WeakPolarHBondContact O-CE 3.36Å; C132-K168 PolarHBondContact O-NZ 2.63Å; T165-K168 HydrophobicContact CG2-CG 4.08Å; K168-L170 PolarHBondContact O-N 2.85Å; K168-I171 PolarHBondContact O-N 2.85Å; K168-I171 VanDerWaalsContact O-N 3.15Å; K168-L176 HydrophobicContact CB-CD2 4.26Å; K168-L176 HydrophobicContact CD-CD1 4.41Å; K168-L176 HydrophobicContact CD-CD2 4.18Å; K168-D178 IonicContact NZ-OD2 3.78Å; K168-D178 PolarHBondContact NZ-OD2 2.96Å; K168-I183 HydrophobicContact CB-CG2 4.37Å; K168-W192 PolarHBondContact O-NE1 3.49Å; K168-W192 VanDerWaalsContact O-NE1 3.1Å
169	T	98.8	Very high	98.5	Very high	6 Å²	6	37.1 Å²	37.1	4%	0.037	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-23.2	-179	73	0	0	0	0	111.5	D167 I171 I183 G185 V186 E187 P190 W192	D167-T169 VanDerWaalsContact C-N 3.33Å; D167-T169 WeakPolarHBondContact OD1-CB 3.46Å; D167-T169 PolarHBondContact OD1-N 3.47Å; D167-T169 PolarHBondContact OD1-OG1 3.06Å; T169-I171 VanDerWaalsContact C-N 3.33Å; T169-I183 HydrophobicContact CG2-CG2 4.24Å; T169-G185 WeakPolarHBondContact OG1-CA 3.46Å; T169-V186 PolarHBondContact OG1-N 3.01Å; T169-E187 WeakPolarHBondContact OG1-CB 3.35Å; T169-E187 PolarHBondContact OG1-N 3.03Å; T169-P190 HydrophobicContact CG2-CG 3.92Å; T169-W192 HydrophobicContact CG2-CZ2 4.38Å
170	L	98.5	Very high	98.5	Very high	111 Å²	111	37.6 Å²	37.6	58%	0.581	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-13.4	174.6	-69.3	175.3	0	0	0	114.3	D167 K168 V186	D167-L170 HydrophobicContact CB-CD1 4.31Å; K168-L170 PolarHBondContact O-N 2.85Å; L170-V186 HydrophobicContact CD1-CG2 3.86Å; L170-V186 HydrophobicContact CD2-CG2 3.38Å; L170-V186 HydrophobicContact CG-CG2 3.62Å
171	I	98.6	Very high	98.5	Very high	35 Å²	35	30.9 Å²	30.9	18%	0.179	16%	0.162	C	C	.	.	S	Bend	trans	-91.5	116.8	-175.5	-51	-53.9	0	0	0	109.3	L42 I163 T165 K168 T169 W192	L42-I171 HydrophobicContact CD1-CB 4.05Å; L42-I171 HydrophobicContact CD1-CG2 3.68Å; L42-I171 HydrophobicContact CD2-CG2 3.92Å; L42-I171 HydrophobicContact CG-CG2 4.48Å; I163-I171 HydrophobicContact CD1-CG2 3.92Å; I163-I171 HydrophobicContact CG2-CD1 3.96Å; I163-I171 HydrophobicContact CG2-CG1 4.25Å; T165-I171 HydrophobicContact CG2-CD1 4.16Å; T165-I171 HydrophobicContact CG2-CG1 3.77Å; K168-I171 PolarHBondContact O-N 2.85Å; K168-I171 VanDerWaalsContact O-N 3.15Å; T169-I171 VanDerWaalsContact C-N 3.33Å; I171-W192 PolarHBondContact O-NE1 3.34Å
172	A	97.8	Very high	98.3	Very high	56 Å²	56	35.7 Å²	35.7	46%	0.463	19%	0.189	S	C	.	.			trans	-78.1	124.2	179.2	0	0	0	0	0	111.5	R40	R40-A172 WeakPolarHBondContact CD-O 3.31Å; R40-A172 PolarHBondContact NH1-O 3.35Å
173	G	97.4	Very high	98.2	Very high	6 Å²	6	36.6 Å²	36.6	6%	0.062	19%	0.193	C	C	.	.			trans	-156.9	175.1	171.6	0	0	0	0	0	110	A191 W192	G173-A191 CarbonylContact O-C 3.3Å; G173-A191 VanDerWaalsContact O-C 3.3Å; G173-W192 VanDerWaalsContact O-CA 3.28Å; G173-W192 WeakPolarHBondContact O-CA 3.25Å; G173-W192 PolarHBondContact O-N 2.92Å
174	D	98.3	Very high	98	Very high	31 Å²	31	42 Å²	42	17%	0.166	22%	0.217	C	C	.	.	S	Bend	trans	-92.3	-29.7	176.4	-58.9	-69.6	0	0	0	111.6	K37 L39 R40 E193	K37-D174 WeakPolarHBondContact CE-OD1 3.14Å; K37-D174 IonicContact NZ-OD1 2.86Å; K37-D174 PolarHBondContact NZ-OD1 3.44Å; L39-D174 HydrophobicContact CD1-CB 3.56Å; R40-D174 PolarHBondContact N-OD2 3.25Å; R40-D174 PolarHBondContact O-N 3.28Å; D174-E193 PolarHBondContact O-N 3.24Å
175	L	98.6	Very high	98	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	145.9	178.4	-68.4	170.7	0	0	0	111	R40 V41 L42 E193 I195 I224 L225 K228	R40-L175 PolarHBondContact O-N 3.33Å; V41-L175 HydrophobicContact CG1-CB 4.22Å; V41-L175 HydrophobicContact CG2-CD1 4.34Å; L42-L175 WeakPolarHBondContact CB-O 3.47Å; L42-L175 PolarHBondContact N-O 2.81Å; L175-E193 WeakPolarHBondContact CA-O 3.38Å; L175-E193 HydrophobicContact CD2-CB 4.12Å; L175-I195 HydrophobicContact CD2-CD1 3.98Å; L175-I195 HydrophobicContact CD2-CG1 3.85Å; L175-I224 HydrophobicContact CD1-CG2 4.12Å; L175-I224 HydrophobicContact CD2-CG2 4.3Å; L175-L225 HydrophobicContact CD1-CD1 3.83Å; L175-L225 HydrophobicContact CD1-CG 4.17Å; L175-K228 HydrophobicContact CD1-CG 4.11Å; L175-K228 HydrophobicContact CD2-CG 3.92Å; L175-K228 HydrophobicContact CG-CG 4.01Å
176	L	98.9	Very high	97.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	114	164.8	173.9	57.8	0	0	0	109.4	L42 K168 D178 I183 W192 E193 I195	L42-L176 HydrophobicContact CB-CB 4.36Å; L42-L176 HydrophobicContact CB-CD1 3.68Å; L42-L176 CarbonylContact O-C 3.6Å; L42-L176 WeakPolarHBondContact O-CA 3.13Å; K168-L176 HydrophobicContact CB-CD2 4.26Å; K168-L176 HydrophobicContact CD-CD1 4.41Å; K168-L176 HydrophobicContact CD-CD2 4.18Å; L176-D178 HydrophobicContact CD1-CB 4.09Å; L176-D178 HydrophobicContact CD2-CB 4.43Å; L176-D178 HydrophobicContact CG-CB 3.92Å; L176-I183 HydrophobicContact CD2-CD1 3.37Å; L176-I183 HydrophobicContact CG-CD1 4.17Å; L176-W192 HydrophobicContact CB-CB 4.13Å; L176-W192 HydrophobicContact CB-CD2 3.56Å; L176-W192 HydrophobicContact CB-CE3 3.61Å; L176-W192 HydrophobicContact CB-CG 3.81Å; L176-W192 HydrophobicContact CB-CZ3 4.31Å; L176-W192 HydrophobicContact CD2-CD2 3.77Å; L176-W192 HydrophobicContact CD2-CE3 3.86Å; L176-W192 HydrophobicContact CD2-CH2 3.63Å; L176-W192 HydrophobicContact CD2-CZ2 3.47Å; L176-W192 VanDerWaalsContact CD2-CZ2 3.47Å; L176-W192 HydrophobicContact CD2-CZ3 3.81Å; L176-W192 HydrophobicContact CG-CD2 4.33Å; L176-W192 HydrophobicContact CG-CE3 4.32Å; L176-E193 PolarHBondContact N-O 2.79Å; L176-I195 PolarHBondContact O-N 3.23Å
177	I	98.9	Very high	97.9	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	111.3	173.9	-55.3	174.4	0	0	0	107.9	V41 L42 D44 V48 M121 I195 F197 L214 W217	V41-I177 HydrophobicContact CG1-CD1 4.09Å; V41-I177 HydrophobicContact CG1-CG1 4.43Å; L42-I177 PolarHBondContact O-N 3.05Å; D44-I177 WeakPolarHBondContact CB-O 3.28Å; D44-I177 PolarHBondContact N-O 3.04Å; V48-I177 HydrophobicContact CG1-CG2 4.12Å; M121-I177 HydrophobicContact CE-CD1 4.41Å; I177-I195 WeakPolarHBondContact CA-O 3.39Å; I177-I195 HydrophobicContact CG1-CB 4.18Å; I177-F197 HydrophobicContact CG2-CB 4.12Å; I177-F197 HydrophobicContact CG2-CD2 3.79Å; I177-F197 HydrophobicContact CG2-CG 4.39Å; I177-L214 HydrophobicContact CG2-CD2 4.29Å; I177-W217 HydrophobicContact CD1-CH2 4.12Å; I177-W217 HydrophobicContact CD1-CZ3 4.44Å
178	D	98.9	Very high	97.8	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.021	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	140.8	-167	-167.1	-57.9	0	0	0	110.4	D44 K168 L176 K180 I183 H194 I195 L196 F197	D44-D178 HydrophobicContact CB-CB 4.11Å; K168-D178 IonicContact NZ-OD2 3.78Å; K168-D178 PolarHBondContact NZ-OD2 2.96Å; L176-D178 HydrophobicContact CD1-CB 4.09Å; L176-D178 HydrophobicContact CD2-CB 4.43Å; L176-D178 HydrophobicContact CG-CB 3.92Å; D178-K180 WeakPolarHBondContact OD1-CB 3.33Å; D178-K180 PolarHBondContact OD1-N 3.47Å; D178-I183 HydrophobicContact CB-CD1 3.85Å; D178-H194 PolarHBondContact O-NE2 3Å; D178-I195 PolarHBondContact N-O 3.27Å; D178-L196 WeakPolarHBondContact O-CA 3.45Å; D178-F197 PolarHBondContact O-N 2.76Å
179	D	98.8	Very high	97.7	Very high	6 Å²	6	51.1 Å²	51.1	3%	0.032	30%	0.297	C	S	.	.	S	Bend	trans	-85.9	-12.6	-176.6	77	-28.5	0	0	0	113.6	V48 P181 L196 F197 A199 H201 N202	V48-D179 HydrophobicContact CG2-CB 4.17Å; D179-P181 VanDerWaalsContact O-CD 3.28Å; D179-P181 WeakPolarHBondContact O-CD 3.37Å; D179-L196 WeakPolarHBondContact O-CD1 3.5Å; D179-F197 WeakPolarHBondContact CA-O 3.47Å; D179-F197 HydrophobicContact CB-CB 4.41Å; D179-A199 HydrophobicContact CB-CB 3.92Å; D179-H201 PolarHBondContact O-NE2 3.5Å; D179-H201 IonicContact OD2-CE1 2.64Å; D179-H201 PolarHBondContact OD2-CE1 2.99Å; D179-H201 IonicContact OD2-NE2 2.69Å; D179-N202 PolarHBondContact O-ND2 3.31Å
180	K	98.4	Very high	97.6	Very high	48 Å²	48	52.7 Å²	52.7	21%	0.209	31%	0.307	C	S	.	.			trans	-70.8	118.1	176	-169.8	168.3	-172.5	-80.8	0	109.9	F78 D178 D182 I183 H194	F78-K180 HydrophobicContact CD1-CD 4.09Å; F78-K180 HydrophobicContact CD1-CG 4.17Å; F78-K180 HydrophobicContact CD2-CB 3.93Å; F78-K180 HydrophobicContact CD2-CG 3.86Å; F78-K180 HydrophobicContact CE1-CD 3.76Å; F78-K180 HydrophobicContact CE1-CG 4.15Å; F78-K180 HydrophobicContact CE2-CB 3.57Å; F78-K180 HydrophobicContact CE2-CD 4.23Å; F78-K180 HydrophobicContact CE2-CG 3.84Å; F78-K180 HydrophobicContact CG-CD 4.47Å; F78-K180 HydrophobicContact CG-CG 4.03Å; F78-K180 HydrophobicContact CZ-CB 3.95Å; F78-K180 HydrophobicContact CZ-CD 3.84Å; F78-K180 HydrophobicContact CZ-CG 3.99Å; D178-K180 WeakPolarHBondContact OD1-CB 3.33Å; D178-K180 PolarHBondContact OD1-N 3.47Å; K180-D182 PolarHBondContact NZ-O 2.62Å; K180-D182 PolarHBondContact O-N 2.99Å; K180-I183 HydrophobicContact CB-CG1 4.29Å; K180-H194 PolarHBondContact O-CE1 3.29Å; K180-H194 PolarHBondContact O-NE2 2.96Å
181	P	96.8	Very high	97.5	Very high	22 Å²	22	51 Å²	51	14%	0.143	31%	0.309	C	S	.	.	S	Bend	trans	-59.1	-43.8	-174.3	-27.3	36.1	0	0	0	114.2	D179 H194 N202 L205 Q211	D179-P181 VanDerWaalsContact O-CD 3.28Å; D179-P181 WeakPolarHBondContact O-CD 3.37Å; P181-H194 PolarHBondContact O-CE1 3Å; P181-N202 HydrophobicContact CG-CB 3.93Å; P181-L205 HydrophobicContact CB-CD1 3.85Å; P181-L205 HydrophobicContact CG-CD1 3.52Å; P181-Q211 PolarHBondContact O-NE2 3.17Å
182	D	94.6	Very high	97.5	Very high	116 Å²	116	50.3 Å²	50.3	62%	0.62	30%	0.304	S	S	*	.	S	Bend	trans	-121.9	109.6	-178.3	-58.3	-52.7	0	0	0	109.7	K180	K180-D182 PolarHBondContact NZ-O 2.62Å; K180-D182 PolarHBondContact O-N 2.99Å
183	I	96.6	Very high	97.5	Very high	34 Å²	34	49.8 Å²	49.8	17%	0.174	29%	0.292	C	S	.	.			trans	-92.6	123.6	176.9	-58.9	176.4	0	0	0	108.5	K168 T169 L176 D178 K180 W192	K168-I183 HydrophobicContact CB-CG2 4.37Å; T169-I183 HydrophobicContact CG2-CG2 4.24Å; L176-I183 HydrophobicContact CD2-CD1 3.37Å; L176-I183 HydrophobicContact CG-CD1 4.17Å; D178-I183 HydrophobicContact CB-CD1 3.85Å; K180-I183 HydrophobicContact CB-CG1 4.29Å; I183-W192 HydrophobicContact CB-CH2 3.8Å; I183-W192 HydrophobicContact CD1-CH2 3.92Å; I183-W192 HydrophobicContact CD1-CZ3 4.26Å; I183-W192 HydrophobicContact CG1-CH2 4.45Å; I183-W192 HydrophobicContact CG2-CH2 3.66Å; I183-W192 HydrophobicContact CG2-CZ2 3.99Å
184	Q	95.9	Very high	97.5	Very high	158 Å²	158	50.6 Å²	50.6	74%	0.738	29%	0.294	S	S	*	.			trans	-125.1	144.7	-175.8	-66	178.9	-16.2	0	0	109
185	G	97	Very high	97.5	Very high	42 Å²	42	49.1 Å²	49.1	43%	0.433	29%	0.286	S	S	.	.	S	Bend	trans	-169.9	-165.7	-178.2	0	0	0	0	0	110.4	D167 T169	D167-G185 WeakPolarHBondContact OD1-CA 3.27Å; D167-G185 WeakPolarHBondContact OD2-CA 3.35Å; T169-G185 WeakPolarHBondContact OG1-CA 3.46Å
186	V	97.8	Very high	97.5	Very high	106 Å²	106	49.2 Å²	49.2	64%	0.642	29%	0.287	S	S	*	.	S	Bend	trans	-75.8	-23.9	-178.8	-58.5	0	0	0	0	113.5	D167 T169 L170 P188	D167-V186 WeakPolarHBondContact OD2-CG2 3.27Å; D167-V186 PolarHBondContact OD2-N 2.88Å; T169-V186 PolarHBondContact OG1-N 3.01Å; L170-V186 HydrophobicContact CD1-CG2 3.86Å; L170-V186 HydrophobicContact CD2-CG2 3.38Å; L170-V186 HydrophobicContact CG-CG2 3.62Å; V186-P188 WeakPolarHBondContact O-CD 3.47Å
187	E	98	Very high	97.5	Very high	72 Å²	72	49.7 Å²	49.7	34%	0.336	29%	0.289	S	S	.	.			trans	-92.9	112.5	179.5	174.3	53.5	-123	0	0	109.4	T169 T189	T169-E187 WeakPolarHBondContact OG1-CB 3.35Å; T169-E187 PolarHBondContact OG1-N 3.03Å; E187-T189 VanDerWaalsContact C-N 3.26Å; E187-T189 PolarHBondContact O-N 3.2Å; E187-T189 PolarHBondContact OE1-N 3.01Å; E187-T189 PolarHBondContact OE1-OG1 3.3Å
188	P	95.9	Very high	97.5	Very high	112 Å²	112	51.2 Å²	51.2	73%	0.727	30%	0.298	S	S	*	.	S	Bend	trans	-70.6	-22.5	-177.3	29.1	-37.4	0	0	0	113.1	V186	V186-P188 WeakPolarHBondContact O-CD 3.47Å
189	T	96.5	Very high	97.5	Very high	108 Å²	108	51.7 Å²	51.7	66%	0.663	30%	0.303	S	S	*	.	S	Bend	trans	-127.6	76.5	-178.9	46.1	0	0	0	0	110.7	E187	E187-T189 VanDerWaalsContact C-N 3.26Å; E187-T189 PolarHBondContact O-N 3.2Å; E187-T189 PolarHBondContact OE1-N 3.01Å; E187-T189 PolarHBondContact OE1-OG1 3.3Å
190	P	97.4	Very high	97.5	Very high	38 Å²	38	52.4 Å²	52.4	25%	0.247	31%	0.308	C	S	.	.			trans	-57.3	145.5	179.1	-19.6	30	0	0	0	111.7	T169 W192	T169-P190 HydrophobicContact CG2-CG 3.92Å; P190-W192 VanDerWaalsContact C-N 3.25Å; P190-W192 HydrophobicContact CB-CD2 3.82Å; P190-W192 VanDerWaalsContact CB-CE2 3.44Å; P190-W192 HydrophobicContact CB-CE3 4.21Å; P190-W192 HydrophobicContact CB-CG 4.39Å; P190-W192 HydrophobicContact CB-CH2 3.89Å; P190-W192 HydrophobicContact CB-CZ2 3.51Å; P190-W192 HydrophobicContact CB-CZ3 4.22Å; P190-W192 HydrophobicContact CG-CH2 3.86Å; P190-W192 HydrophobicContact CG-CZ2 3.82Å; P190-W192 HydrophobicContact CG-CZ3 4.39Å; P190-W192 PolarHBondContact O-N 2.85Å
191	A	97	Very high	97.5	Very high	75 Å²	75	50.3 Å²	50.3	62%	0.62	30%	0.299	S	S	*	.	S	Bend	trans	-67.7	-25.6	-176.7	0	0	0	0	0	113.8	G173	G173-A191 CarbonylContact O-C 3.3Å; G173-A191 VanDerWaalsContact O-C 3.3Å
192	W	97.9	Very high	97.6	Very high	21 Å²	21	49.2 Å²	49.2	8%	0.08	29%	0.292	C	S	.	.	S	Bend	trans	-85.2	149.1	-177.9	39.3	-99.1	0	0	0	112	L42 K168 T169 I171 G173 L176 I183 P190 H194	L42-W192 HydrophobicContact CD1-CG 4.49Å; K168-W192 PolarHBondContact O-NE1 3.49Å; K168-W192 VanDerWaalsContact O-NE1 3.1Å; T169-W192 HydrophobicContact CG2-CZ2 4.38Å; I171-W192 PolarHBondContact O-NE1 3.34Å; G173-W192 VanDerWaalsContact O-CA 3.28Å; G173-W192 WeakPolarHBondContact O-CA 3.25Å; G173-W192 PolarHBondContact O-N 2.92Å; L176-W192 HydrophobicContact CB-CB 4.13Å; L176-W192 HydrophobicContact CB-CD2 3.56Å; L176-W192 HydrophobicContact CB-CE3 3.61Å; L176-W192 HydrophobicContact CB-CG 3.81Å; L176-W192 HydrophobicContact CB-CZ3 4.31Å; L176-W192 HydrophobicContact CD2-CD2 3.77Å; L176-W192 HydrophobicContact CD2-CE3 3.86Å; L176-W192 HydrophobicContact CD2-CH2 3.63Å; L176-W192 HydrophobicContact CD2-CZ2 3.47Å; L176-W192 VanDerWaalsContact CD2-CZ2 3.47Å; L176-W192 HydrophobicContact CD2-CZ3 3.81Å; L176-W192 HydrophobicContact CG-CD2 4.33Å; L176-W192 HydrophobicContact CG-CE3 4.32Å; I183-W192 HydrophobicContact CB-CH2 3.8Å; I183-W192 HydrophobicContact CD1-CH2 3.92Å; I183-W192 HydrophobicContact CD1-CZ3 4.26Å; I183-W192 HydrophobicContact CG1-CH2 4.45Å; I183-W192 HydrophobicContact CG2-CH2 3.66Å; I183-W192 HydrophobicContact CG2-CZ2 3.99Å; P190-W192 VanDerWaalsContact C-N 3.25Å; P190-W192 HydrophobicContact CB-CD2 3.82Å; P190-W192 VanDerWaalsContact CB-CE2 3.44Å; P190-W192 HydrophobicContact CB-CE3 4.21Å; P190-W192 HydrophobicContact CB-CG 4.39Å; P190-W192 HydrophobicContact CB-CH2 3.89Å; P190-W192 HydrophobicContact CB-CZ2 3.51Å; P190-W192 HydrophobicContact CB-CZ3 4.22Å; P190-W192 HydrophobicContact CG-CH2 3.86Å; P190-W192 HydrophobicContact CG-CZ2 3.82Å; P190-W192 HydrophobicContact CG-CZ3 4.39Å; P190-W192 PolarHBondContact O-N 2.85Å; W192-H194 HydrophobicContact CE3-CB 4.14Å; W192-H194 HydrophobicContact CZ3-CB 3.82Å
193	E	97.7	Very high	97.7	Very high	45 Å²	45	48.5 Å²	48.5	21%	0.21	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	131.6	158.8	179.5	-170.7	158.8	0	0	109.7	D174 L175 L176 I195 R212 K228	D174-E193 PolarHBondContact O-N 3.24Å; L175-E193 WeakPolarHBondContact CA-O 3.38Å; L175-E193 HydrophobicContact CD2-CB 4.12Å; L176-E193 PolarHBondContact N-O 2.79Å; E193-I195 HydrophobicContact CG-CD1 4.16Å; E193-I195 WeakPolarHBondContact OE1-CD1 3.47Å; E193-R212 IonicContact OE1-CZ 3.35Å; E193-R212 VanDerWaalsContact OE1-CZ 3.26Å; E193-R212 IonicContact OE1-NE 2.82Å; E193-R212 PolarHBondContact OE1-NE 3.13Å; E193-R212 IonicContact OE1-NH2 2.66Å; E193-R212 PolarHBondContact OE1-NH2 3.33Å; E193-R212 IonicContact OE2-CZ 3.16Å; E193-R212 IonicContact OE2-NE 3.26Å; E193-R212 IonicContact OE2-NH2 2.89Å; E193-R212 PolarHBondContact OE2-NH2 3.46Å; E193-K228 WeakPolarHBondContact OE2-CE 3.4Å; E193-K228 IonicContact OE2-NZ 2.68Å; E193-K228 PolarHBondContact OE2-NZ 3.19Å
194	H	98.1	Very high	97.8	Very high	24 Å²	24	50.7 Å²	50.7	11%	0.111	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	122.5	173.2	-173.7	-152.6	0	0	0	111.3	D178 K180 P181 W192 Q211	D178-H194 PolarHBondContact O-NE2 3Å; K180-H194 PolarHBondContact O-CE1 3.29Å; K180-H194 PolarHBondContact O-NE2 2.96Å; P181-H194 PolarHBondContact O-CE1 3Å; W192-H194 HydrophobicContact CE3-CB 4.14Å; W192-H194 HydrophobicContact CZ3-CB 3.82Å; H194-Q211 PolarHBondContact CE1-NE2 3.14Å; H194-Q211 PolarHBondContact ND1-NE2 3.39Å
195	I	98.5	Very high	97.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	108.6	168.7	-50.7	-59.2	0	0	0	107.3	L175 L176 I177 D178 E193 F197 R212 L214 I224	L175-I195 HydrophobicContact CD2-CD1 3.98Å; L175-I195 HydrophobicContact CD2-CG1 3.85Å; L176-I195 PolarHBondContact O-N 3.23Å; I177-I195 WeakPolarHBondContact CA-O 3.39Å; I177-I195 HydrophobicContact CG1-CB 4.18Å; D178-I195 PolarHBondContact N-O 3.27Å; E193-I195 HydrophobicContact CG-CD1 4.16Å; E193-I195 WeakPolarHBondContact OE1-CD1 3.47Å; I195-F197 PolarHBondContact O-N 2.78Å; I195-F197 VanDerWaalsContact O-N 3.16Å; I195-R212 HydrophobicContact CD1-CB 3.9Å; I195-L214 HydrophobicContact CG2-CB 3.87Å; I195-I224 HydrophobicContact CD1-CG2 3.77Å; I195-I224 HydrophobicContact CG1-CG2 3.88Å; I195-I224 HydrophobicContact CG2-CD1 3.8Å
196	L	98.7	Very high	97.5	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.01	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	113.2	-179.3	-178.7	56.7	0	0	0	109.6	D178 D179 V207 R212 R213 L214	D178-L196 WeakPolarHBondContact O-CA 3.45Å; D179-L196 WeakPolarHBondContact O-CD1 3.5Å; L196-V207 HydrophobicContact CD2-CG1 3.73Å; L196-R212 PolarHBondContact N-O 3.33Å; L196-R213 VanDerWaalsContact CD2-NH2 3.28Å; L196-R213 CarbonylContact O-C 3.56Å; L196-R213 VanDerWaalsContact O-CA 3.23Å; L196-R213 WeakPolarHBondContact O-CA 3.32Å; L196-R213 WeakPolarHBondContact O-CG 3.44Å; L196-L214 PolarHBondContact O-N 3.22Å
197	F	98.9	Very high	96.9	Very high	9 Å²	9	47.9 Å²	47.9	4%	0.039	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	134.8	173.2	-164.2	-89.8	0	0	0	109.7	G47 V48 L111 I177 D178 D179 I195 A199 N202 L214 W217	G47-F197 WeakPolarHBondContact O-CD1 3.45Å; V48-F197 HydrophobicContact CB-CG 4.46Å; V48-F197 HydrophobicContact CG1-CD2 4.22Å; V48-F197 HydrophobicContact CG1-CG 4.3Å; V48-F197 HydrophobicContact CG2-CB 3.72Å; V48-F197 HydrophobicContact CG2-CD1 4.15Å; V48-F197 HydrophobicContact CG2-CG 3.92Å; L111-F197 HydrophobicContact CD1-CE1 4.31Å; I177-F197 HydrophobicContact CG2-CB 4.12Å; I177-F197 HydrophobicContact CG2-CD2 3.79Å; I177-F197 HydrophobicContact CG2-CG 4.39Å; D178-F197 PolarHBondContact O-N 2.76Å; D179-F197 WeakPolarHBondContact CA-O 3.47Å; D179-F197 HydrophobicContact CB-CB 4.41Å; I195-F197 PolarHBondContact O-N 2.78Å; I195-F197 VanDerWaalsContact O-N 3.16Å; F197-A199 PolarHBondContact O-N 2.86Å; F197-N202 PolarHBondContact O-ND2 2.83Å; F197-L214 HydrophobicContact CD2-CB 4.25Å; F197-L214 HydrophobicContact CD2-CD2 3.89Å; F197-L214 HydrophobicContact CD2-CG 4.22Å; F197-L214 HydrophobicContact CE2-CD2 3.92Å; F197-L214 HydrophobicContact CE2-CG 4.28Å; F197-W217 AromaticContact CE2-CD1 3.83Å; F197-W217 HydrophobicContact CE2-CD2 4.06Å; F197-W217 AromaticContact CE2-CE2 3.78Å; F197-W217 HydrophobicContact CE2-CG 4.13Å; F197-W217 HydrophobicContact CE2-CZ2 4.36Å; F197-W217 AromaticContact CE2-NE1 3.59Å; F197-W217 AromaticContact CZ-CD1 3.59Å; F197-W217 HydrophobicContact CZ-CG 4.22Å; F197-W217 AromaticContact CZ-NE1 3.58Å
198	T	98.8	Very high	96.3	Very high	33 Å²	33	47 Å²	47	20%	0.202	28%	0.282	C	S	.	.			trans	-76.3	122.1	-175.8	-58.3	0	0	0	0	111.4	N202 K203 R213 L214 L215	T198-N202 WeakPolarHBondContact CA-OD1 3.5Å; T198-K203 HydrophobicContact CG2-CB 3.94Å; T198-R213 VanDerWaalsContact OG1-CD 3.27Å; T198-R213 WeakPolarHBondContact OG1-CD 3.29Å; T198-R213 VanDerWaalsContact OG1-CG 3.27Å; T198-R213 WeakPolarHBondContact OG1-CG 3.36Å; T198-R213 PolarHBondContact OG1-NH1 3.06Å; T198-R213 VanDerWaalsContact OG1-NH1 3.13Å; T198-L214 PolarHBondContact N-O 3.17Å; T198-L214 PolarHBondContact OG1-O 3.11Å; T198-L214 VanDerWaalsContact OG1-O 3.08Å; T198-L215 WeakPolarHBondContact CB-O 3.25Å
199	A	98.8	Very high	95.7	Very high	14 Å²	14	48.7 Å²	48.7	12%	0.116	29%	0.293	C	S	.	.			trans	-129.3	164.6	174.6	0	0	0	0	0	110.5	D179 F197 H201 N202 K203	D179-A199 HydrophobicContact CB-CB 3.92Å; F197-A199 PolarHBondContact O-N 2.86Å; A199-H201 PolarHBondContact O-N 3.1Å; A199-H201 VanDerWaalsContact O-N 3.14Å; A199-N202 PolarHBondContact N-ND2 3.09Å; A199-N202 PolarHBondContact N-OD1 3.04Å; A199-N202 PolarHBondContact O-N 3Å; A199-N202 PolarHBondContact O-OD1 3.02Å; A199-K203 PolarHBondContact O-N 3.17Å
200	C	98.6	Very high	95.1	Very high	22 Å²	22	48.5 Å²	48.5	15%	0.149	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-34.9	-174.4	64.5	0	0	0	0	113.2	L72 R75	L72-C200 HydrophobicContact CB-CB 4.25Å; L72-C200 WeakPolarHBondContact O-CB 3.46Å; R75-C200 HydrophobicContact CB-CB 4.46Å
201	H	98.6	Very high	94.8	Very high	3 Å²	3	48.9 Å²	48.9	1%	0.014	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-7.7	179.8	64.7	-113.7	0	0	0	114.7	E53 R75 F78 D179 A199 H204	E53-H201 IonicContact OE1-CE1 3.56Å; E53-H201 IonicContact OE1-CG 2.66Å; E53-H201 IonicContact OE1-ND1 2.61Å; E53-H201 PolarHBondContact OE1-ND1 2.7Å; R75-H201 HydrophobicContact CB-CB 4.18Å; F78-H201 AromaticContact CD2-CE1 3.87Å; F78-H201 AromaticContact CD2-NE2 3.55Å; D179-H201 PolarHBondContact O-NE2 3.5Å; D179-H201 IonicContact OD2-CE1 2.64Å; D179-H201 PolarHBondContact OD2-CE1 2.99Å; D179-H201 IonicContact OD2-NE2 2.69Å; A199-H201 PolarHBondContact O-N 3.1Å; A199-H201 VanDerWaalsContact O-N 3.14Å; H201-H204 PolarHBondContact O-CE1 3.4Å
202	N	98.5	Very high	94.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.4	-8.8	-178.2	75.9	37.8	0	0	0	114.2	D179 P181 F197 T198 A199 H204 L205 R213	D179-N202 PolarHBondContact O-ND2 3.31Å; P181-N202 HydrophobicContact CG-CB 3.93Å; F197-N202 PolarHBondContact O-ND2 2.83Å; T198-N202 WeakPolarHBondContact CA-OD1 3.5Å; A199-N202 PolarHBondContact N-ND2 3.09Å; A199-N202 PolarHBondContact N-OD1 3.04Å; A199-N202 PolarHBondContact O-N 3Å; A199-N202 PolarHBondContact O-OD1 3.02Å; N202-H204 PolarHBondContact O-N 3.34Å; N202-H204 VanDerWaalsContact O-N 3.1Å; N202-L205 HydrophobicContact CB-CD1 4.01Å; N202-L205 WeakPolarHBondContact O-CB 3.44Å; N202-L205 PolarHBondContact O-N 3.41Å; N202-R213 PolarHBondContact O-NH2 2.92Å; N202-R213 PolarHBondContact OD1-NH1 2.66Å
203	K	97.5	Very high	94.8	Very high	100 Å²	100	50.1 Å²	50.1	44%	0.435	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-21.8	-175.5	68.4	-178.8	177	178.1	0	115.4	D73 T198 A199	D73-K203 IonicContact OD1-NZ 2.79Å; D73-K203 PolarHBondContact OD1-NZ 2.82Å; T198-K203 HydrophobicContact CG2-CB 3.94Å; A199-K203 PolarHBondContact O-N 3.17Å
204	H	97.1	Very high	94.9	Very high	81 Å²	81	48 Å²	48	38%	0.375	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-7.2	179.9	60	-83.5	0	0	0	112.8	R76 H201 N202	R76-H204 WeakPolarHBondContact CD-CE1 3.34Å; R76-H204 VanDerWaalsContact CD-NE2 3.31Å; R76-H204 WeakPolarHBondContact CD-NE2 3.4Å; H201-H204 PolarHBondContact O-CE1 3.4Å; N202-H204 PolarHBondContact O-N 3.34Å; N202-H204 VanDerWaalsContact O-N 3.1Å
205	L	96	Very high	94.9	Very high	71 Å²	71	52.1 Å²	52.1	37%	0.372	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-79.2	125.5	-179.6	-59.8	178.4	0	0	0	109.8	P181 N202 V207 R213	P181-L205 HydrophobicContact CB-CD1 3.85Å; P181-L205 HydrophobicContact CG-CD1 3.52Å; N202-L205 HydrophobicContact CB-CD1 4.01Å; N202-L205 WeakPolarHBondContact O-CB 3.44Å; N202-L205 PolarHBondContact O-N 3.41Å; L205-V207 PolarHBondContact O-N 3.48Å; L205-R213 PolarHBondContact O-NH2 3.3Å
206	S	90.9	Very high	94.9	Very high	123 Å²	123	54 Å²	54	86%	0.86	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-66.5	123.1	164.4	-57.5	0	0	0	0	108.9
207	V	85.4	Confident	94.9	Very high	52 Å²	52	54.4 Å²	54.4	32%	0.315	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-83.2	150	172.2	-68.7	0	0	0	0	109.8	L196 L205 Q211	L196-V207 HydrophobicContact CD2-CG1 3.73Å; L205-V207 PolarHBondContact O-N 3.48Å; V207-Q211 HydrophobicContact CB-CB 4.34Å
208	S	85.4	Confident	94.9	Very high	54 Å²	54	59.5 Å²	59.5	38%	0.378	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-62.6	156.6	172.7	72	0	0	0	0	109.9	S210 Q211	S208-S210 PolarHBondContact O-N 3.35Å; S208-S210 PolarHBondContact OG-N 2.99Å; S208-S210 PolarHBondContact OG-OG 3.18Å; S208-Q211 PolarHBondContact O-N 3.24Å; S208-Q211 PolarHBondContact OG-N 3.3Å
209	P	83.8	Confident	94.8	Very high	148 Å²	148	60.7 Å²	60.7	96%	0.961	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-18.5	175.5	-25.5	34.9	0	0	0	114.3
210	S	84.1	Confident	94.8	Very high	103 Å²	103	64.7 Å²	64.7	72%	0.72	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-12	179.6	58.2	0	0	0	0	114.2	S208	S208-S210 PolarHBondContact O-N 3.35Å; S208-S210 PolarHBondContact OG-N 2.99Å; S208-S210 PolarHBondContact OG-OG 3.18Å
211	Q	91.7	Very high	94.8	Very high	47 Å²	47	64 Å²	64	22%	0.22	37%	0.365	C	S	.	.			trans	-100.2	124	179.1	-172.9	-179.8	29.8	0	0	109.9	P181 H194 V207 S208	P181-Q211 PolarHBondContact O-NE2 3.17Å; H194-Q211 PolarHBondContact CE1-NE2 3.14Å; H194-Q211 PolarHBondContact ND1-NE2 3.39Å; V207-Q211 HydrophobicContact CB-CB 4.34Å; S208-Q211 PolarHBondContact O-N 3.24Å; S208-Q211 PolarHBondContact OG-N 3.3Å
212	R	96.6	Very high	94.8	Very high	75 Å²	75	68.2 Å²	68.2	28%	0.283	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	152.4	175.7	-68.3	-169.8	-69.6	174.3	-6.9	110.9	E193 I195 L196 S227	E193-R212 IonicContact OE1-CZ 3.35Å; E193-R212 VanDerWaalsContact OE1-CZ 3.26Å; E193-R212 IonicContact OE1-NE 2.82Å; E193-R212 PolarHBondContact OE1-NE 3.13Å; E193-R212 IonicContact OE1-NH2 2.66Å; E193-R212 PolarHBondContact OE1-NH2 3.33Å; E193-R212 IonicContact OE2-CZ 3.16Å; E193-R212 IonicContact OE2-NE 3.26Å; E193-R212 IonicContact OE2-NH2 2.89Å; E193-R212 PolarHBondContact OE2-NH2 3.46Å; I195-R212 HydrophobicContact CD1-CB 3.9Å; L196-R212 PolarHBondContact N-O 3.33Å; R212-S227 PolarHBondContact NH1-OG 2.63Å; R212-S227 PolarHBondContact NH2-OG 2.84Å
213	R	97.9	Very high	94.7	Very high	47 Å²	47	69.5 Å²	69.5	18%	0.177	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	135.1	178.8	178.7	-179.7	-75.6	-85.3	12.5	109.2	L196 T198 N202 L205 L215	L196-R213 VanDerWaalsContact CD2-NH2 3.28Å; L196-R213 CarbonylContact O-C 3.56Å; L196-R213 VanDerWaalsContact O-CA 3.23Å; L196-R213 WeakPolarHBondContact O-CA 3.32Å; L196-R213 WeakPolarHBondContact O-CG 3.44Å; T198-R213 VanDerWaalsContact OG1-CD 3.27Å; T198-R213 WeakPolarHBondContact OG1-CD 3.29Å; T198-R213 VanDerWaalsContact OG1-CG 3.27Å; T198-R213 WeakPolarHBondContact OG1-CG 3.36Å; T198-R213 PolarHBondContact OG1-NH1 3.06Å; T198-R213 VanDerWaalsContact OG1-NH1 3.13Å; N202-R213 PolarHBondContact O-NH2 2.92Å; N202-R213 PolarHBondContact OD1-NH1 2.66Å; L205-R213 PolarHBondContact O-NH2 3.3Å; R213-L215 HydrophobicContact CG-CD2 4.15Å
214	L	98.5	Very high	94.7	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	119.8	167	-173.8	64.5	0	0	0	107.7	I177 I195 L196 F197 T198 S216 W217 D219 W221 I224	I177-L214 HydrophobicContact CG2-CD2 4.29Å; I195-L214 HydrophobicContact CG2-CB 3.87Å; L196-L214 PolarHBondContact O-N 3.22Å; F197-L214 HydrophobicContact CD2-CB 4.25Å; F197-L214 HydrophobicContact CD2-CD2 3.89Å; F197-L214 HydrophobicContact CD2-CG 4.22Å; F197-L214 HydrophobicContact CE2-CD2 3.92Å; F197-L214 HydrophobicContact CE2-CG 4.28Å; T198-L214 PolarHBondContact N-O 3.17Å; T198-L214 PolarHBondContact OG1-O 3.11Å; T198-L214 VanDerWaalsContact OG1-O 3.08Å; L214-S216 WeakPolarHBondContact CG-O 3.5Å; L214-W217 HydrophobicContact CD2-CE3 4.32Å; L214-W217 HydrophobicContact CD2-CZ3 4.35Å; L214-D219 HydrophobicContact CD1-CB 3.7Å; L214-W221 HydrophobicContact CD1-CB 4.01Å; L214-W221 HydrophobicContact CD2-CB 3.97Å; L214-I224 HydrophobicContact CB-CD1 4.27Å; L214-I224 HydrophobicContact CD1-CD1 3.94Å
215	L	98.3	Very high	94.8	Very high	110 Å²	110	61.7 Å²	61.7	58%	0.576	36%	0.361	S	S	*	.			trans	-74.3	-32.3	-173.6	-64.5	-180	0	0	0	112.6	T198 R213 D219	T198-L215 WeakPolarHBondContact CB-O 3.25Å; R213-L215 HydrophobicContact CG-CD2 4.15Å; L215-D219 HydrophobicContact CB-CB 4.35Å; L215-D219 WeakPolarHBondContact CB-OD2 3.12Å; L215-D219 PolarHBondContact N-OD2 3.2Å
216	S	98.8	Very high	94.8	Very high	39 Å²	39	62.2 Å²	62.2	27%	0.273	36%	0.364	S	S	.	.			trans	-172.5	177.9	176.3	60.8	0	0	0	0	109	L214 S218 D219	L214-S216 WeakPolarHBondContact CG-O 3.5Å; S216-S218 PolarHBondContact O-N 2.68Å; S216-S218 PolarHBondContact OG-N 3.17Å; S216-S218 PolarHBondContact OG-OG 2.76Å; S216-D219 VanDerWaalsContact O-CB 3.23Å; S216-D219 WeakPolarHBondContact O-CB 3.44Å; S216-D219 PolarHBondContact O-N 3.43Å; S216-D219 VanDerWaalsContact O-N 3.14Å
217	W	98.8	Very high	95	Very high	11 Å²	11	59.5 Å²	59.5	4%	0.042	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-10	173.3	-70	110.8	0	0	0	114.9	V43 V48 L49 A117 V118 M121 I177 F197 L214 D219 W221	V43-W217 HydrophobicContact CG1-CH2 4.04Å; V43-W217 HydrophobicContact CG1-CZ2 3.91Å; V48-W217 HydrophobicContact CG1-CZ2 3.7Å; V48-W217 PolarHBondContact O-NE1 3.29Å; L49-W217 HydrophobicContact CD2-CZ2 3.89Å; A117-W217 HydrophobicContact CB-CB 4.36Å; A117-W217 HydrophobicContact CB-CD2 3.85Å; A117-W217 HydrophobicContact CB-CE3 3.3Å; A117-W217 HydrophobicContact CB-CG 4.33Å; A117-W217 HydrophobicContact CB-CZ3 3.81Å; V118-W217 HydrophobicContact CG2-CH2 4.33Å; V118-W217 HydrophobicContact CG2-CZ2 4.47Å; M121-W217 HydrophobicContact CE-CH2 4.38Å; M121-W217 HydrophobicContact CE-CZ3 4.08Å; I177-W217 HydrophobicContact CD1-CH2 4.12Å; I177-W217 HydrophobicContact CD1-CZ3 4.44Å; F197-W217 AromaticContact CE2-CD1 3.83Å; F197-W217 HydrophobicContact CE2-CD2 4.06Å; F197-W217 AromaticContact CE2-CE2 3.78Å; F197-W217 HydrophobicContact CE2-CG 4.13Å; F197-W217 HydrophobicContact CE2-CZ2 4.36Å; F197-W217 AromaticContact CE2-NE1 3.59Å; F197-W217 AromaticContact CZ-CD1 3.59Å; F197-W217 HydrophobicContact CZ-CG 4.22Å; F197-W217 AromaticContact CZ-NE1 3.58Å; L214-W217 HydrophobicContact CD2-CE3 4.32Å; L214-W217 HydrophobicContact CD2-CZ3 4.35Å; W217-D219 VanDerWaalsContact C-N 3.32Å; W217-W221 HydrophobicContact CE3-CG 4.27Å; W217-W221 HydrophobicContact CZ3-CB 4.46Å; W217-W221 HydrophobicContact CZ3-CG 4.37Å
218	S	98.3	Very high	95.4	Very high	116 Å²	116	60.9 Å²	60.9	81%	0.811	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-6.7	169.8	63.6	0	0	0	0	113.5	S216	S216-S218 PolarHBondContact O-N 2.68Å; S216-S218 PolarHBondContact OG-N 3.17Å; S216-S218 PolarHBondContact OG-OG 2.76Å
219	D	98.2	Very high	95.7	Very high	58 Å²	58	62.1 Å²	62.1	31%	0.31	34%	0.343	S	S	.	.	S	Bend	trans	-80.8	171.5	174.3	-167	11.9	0	0	0	110.8	L214 L215 S216 W217 W221	L214-D219 HydrophobicContact CD1-CB 3.7Å; L215-D219 HydrophobicContact CB-CB 4.35Å; L215-D219 WeakPolarHBondContact CB-OD2 3.12Å; L215-D219 PolarHBondContact N-OD2 3.2Å; S216-D219 VanDerWaalsContact O-CB 3.23Å; S216-D219 WeakPolarHBondContact O-CB 3.44Å; S216-D219 PolarHBondContact O-N 3.43Å; S216-D219 VanDerWaalsContact O-N 3.14Å; W217-D219 VanDerWaalsContact C-N 3.32Å; D219-W221 VanDerWaalsContact C-N 3.27Å; D219-W221 VanDerWaalsContact O-CD1 3.31Å; D219-W221 PolarHBondContact O-N 3.33Å
220	D	98.1	Very high	94.9	Very high	98 Å²	98	68.4 Å²	68.4	52%	0.524	36%	0.355	S	S	.	.			trans	-78.6	67.1	-171.7	-172.8	19.9	0	0	0	113.7	R222 G223 I224	D220-R222 PolarHBondContact O-N 3.48Å; D220-R222 PolarHBondContact OD1-N 3.37Å; D220-G223 PolarHBondContact O-N 2.89Å; D220-G223 PolarHBondContact OD1-N 2.94Å; D220-I224 PolarHBondContact O-N 3.26Å
221	W	98.5	Very high	95.4	Very high	7 Å²	7	66.7 Å²	66.7	3%	0.027	34%	0.337	C	S	.	.	H	α-helix	trans	-64.6	-24.6	173.6	60.8	-97.3	0	0	0	112.7	A117 E120 M121 M124 L214 W217 D219 I224 L225	A117-W221 HydrophobicContact CB-CZ2 4.27Å; E120-W221 HydrophobicContact CB-CH2 4.29Å; E120-W221 HydrophobicContact CB-CZ2 4.48Å; E120-W221 HydrophobicContact CG-CH2 4.24Å; M121-W221 HydrophobicContact CB-CH2 4.41Å; M121-W221 HydrophobicContact CB-CZ3 4.12Å; M121-W221 HydrophobicContact CE-CE3 3.9Å; M121-W221 HydrophobicContact CE-CZ3 4.2Å; M121-W221 HydrophobicContact CG-CZ3 4.3Å; M124-W221 HydrophobicContact SD-CH2 4.15Å; M124-W221 HydrophobicContact SD-CZ3 3.72Å; L214-W221 HydrophobicContact CD1-CB 4.01Å; L214-W221 HydrophobicContact CD2-CB 3.97Å; W217-W221 HydrophobicContact CE3-CG 4.27Å; W217-W221 HydrophobicContact CZ3-CB 4.46Å; W217-W221 HydrophobicContact CZ3-CG 4.37Å; D219-W221 VanDerWaalsContact C-N 3.27Å; D219-W221 VanDerWaalsContact O-CD1 3.31Å; D219-W221 PolarHBondContact O-N 3.33Å; W221-I224 PolarHBondContact O-N 2.79Å; W221-L225 HydrophobicContact CE3-CD2 4.39Å; W221-L225 HydrophobicContact CZ3-CD2 4.33Å; W221-L225 WeakPolarHBondContact O-CD1 3.31Å; W221-L225 PolarHBondContact O-N 3.02Å; W221-L225 VanDerWaalsContact O-N 3.12Å
222	R	98.3	Very high	95.6	Very high	92 Å²	92	67.7 Å²	67.7	35%	0.347	34%	0.343	S	S	.	.	H	α-helix	trans	-68.9	-46	176.9	-71.5	-177.4	-159.8	73.6	-6.7	110.8	E120 D220 I224 L225 D226	E120-R222 IonicContact OE1-CZ 2.88Å; E120-R222 IonicContact OE1-NE 3.34Å; E120-R222 PolarHBondContact OE1-NE 2.9Å; E120-R222 IonicContact OE1-NH2 3.81Å; E120-R222 PolarHBondContact OE1-NH2 2.61Å; E120-R222 IonicContact OE2-CZ 3.87Å; E120-R222 IonicContact OE2-NH2 2.76Å; E120-R222 PolarHBondContact OE2-NH2 3.25Å; D220-R222 PolarHBondContact O-N 3.48Å; D220-R222 PolarHBondContact OD1-N 3.37Å; R222-I224 PolarHBondContact O-N 3.32Å; R222-L225 PolarHBondContact O-N 3.37Å; R222-D226 WeakPolarHBondContact O-CB 3.47Å; R222-D226 PolarHBondContact O-N 2.77Å
223	G	97.8	Very high	95.6	Very high	28 Å²	28	67.3 Å²	67.3	29%	0.289	35%	0.346	S	S	.	.	H	α-helix	trans	-57.8	-34.9	173.6	0	0	0	0	0	113	D220 S227	D220-G223 PolarHBondContact O-N 2.89Å; D220-G223 PolarHBondContact OD1-N 2.94Å; G223-S227 WeakPolarHBondContact O-CB 3.39Å; G223-S227 PolarHBondContact O-N 3.26Å; G223-S227 VanDerWaalsContact O-N 3.08Å
224	I	97.6	Very high	95.4	Very high	17 Å²	17	68.5 Å²	68.5	9%	0.087	36%	0.356	C	S	.	.	H	α-helix	trans	-63.4	-48.5	172.5	-64	179.7	0	0	0	111.2	L175 I195 L214 D220 W221 R222 S227	L175-I224 HydrophobicContact CD1-CG2 4.12Å; L175-I224 HydrophobicContact CD2-CG2 4.3Å; I195-I224 HydrophobicContact CD1-CG2 3.77Å; I195-I224 HydrophobicContact CG1-CG2 3.88Å; I195-I224 HydrophobicContact CG2-CD1 3.8Å; L214-I224 HydrophobicContact CB-CD1 4.27Å; L214-I224 HydrophobicContact CD1-CD1 3.94Å; D220-I224 PolarHBondContact O-N 3.26Å; W221-I224 PolarHBondContact O-N 2.79Å; R222-I224 PolarHBondContact O-N 3.32Å; I224-S227 PolarHBondContact O-N 3.06Å; I224-S227 PolarHBondContact O-OG 3.32Å
225	L	97.6	Very high	95.2	Very high	0 Å²	0	72.8 Å²	72.8	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-62.5	-46.9	177.8	-93.6	63.9	0	0	0	111.7	L39 V41 M121 M124 T127 L175 W221 R222 S227 K228 R229	L39-L225 HydrophobicContact CD2-CB 3.78Å; L39-L225 HydrophobicContact CD2-CD2 4.26Å; L39-L225 HydrophobicContact CD2-CG 3.68Å; L39-L225 WeakPolarHBondContact CD2-O 3.35Å; V41-L225 HydrophobicContact CG2-CD1 4.18Å; V41-L225 HydrophobicContact CG2-CD2 4.09Å; V41-L225 HydrophobicContact CG2-CG 3.98Å; M121-L225 HydrophobicContact CE-CD1 4.16Å; M121-L225 HydrophobicContact CE-CD2 4.17Å; M121-L225 HydrophobicContact CG-CD2 3.62Å; M121-L225 HydrophobicContact SD-CD2 3.97Å; M124-L225 HydrophobicContact SD-CD2 4.13Å; T127-L225 HydrophobicContact CG2-CD2 4.18Å; L175-L225 HydrophobicContact CD1-CD1 3.83Å; L175-L225 HydrophobicContact CD1-CG 4.17Å; W221-L225 HydrophobicContact CE3-CD2 4.39Å; W221-L225 HydrophobicContact CZ3-CD2 4.33Å; W221-L225 WeakPolarHBondContact O-CD1 3.31Å; W221-L225 PolarHBondContact O-N 3.02Å; W221-L225 VanDerWaalsContact O-N 3.12Å; R222-L225 PolarHBondContact O-N 3.37Å; L225-S227 VanDerWaalsContact C-N 3.25Å; L225-S227 PolarHBondContact O-N 3.49Å; L225-K228 WeakPolarHBondContact O-CB 3.39Å; L225-K228 PolarHBondContact O-N 3.11Å; L225-R229 PolarHBondContact O-N 2.64Å
226	D	96.3	Very high	95	Very high	82 Å²	82	70.3 Å²	70.3	44%	0.439	37%	0.365	S	S	.	.	H	α-helix	trans	-65.3	-30.3	-176.6	-67.6	-18.3	0	0	0	112	R222 K228 R229	R222-D226 WeakPolarHBondContact O-CB 3.47Å; R222-D226 PolarHBondContact O-N 2.77Å; D226-K228 PolarHBondContact O-N 2.72Å; D226-R229 PolarHBondContact O-N 3.16Å; D226-R229 WeakPolarHBondContact OD1-CD 3.37Å; D226-R229 IonicContact OD1-CZ 2.76Å; D226-R229 IonicContact OD1-NE 2.78Å; D226-R229 PolarHBondContact OD1-NE 3.35Å
227	S	95.3	Very high	94.8	Very high	66 Å²	66	72.6 Å²	72.6	46%	0.462	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-14.1	171.7	77	0	0	0	0	114.6	R212 G223 I224 L225	R212-S227 PolarHBondContact NH1-OG 2.63Å; R212-S227 PolarHBondContact NH2-OG 2.84Å; G223-S227 WeakPolarHBondContact O-CB 3.39Å; G223-S227 PolarHBondContact O-N 3.26Å; G223-S227 VanDerWaalsContact O-N 3.08Å; I224-S227 PolarHBondContact O-N 3.06Å; I224-S227 PolarHBondContact O-OG 3.32Å; L225-S227 VanDerWaalsContact C-N 3.25Å; L225-S227 PolarHBondContact O-N 3.49Å
228	K	94.6	Very high	94.5	Very high	80 Å²	80	77.3 Å²	77.3	35%	0.348	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-9.9	176.8	-66.1	-58.5	-169.5	-173.9	0	113.9	L39 L175 E193 L225 D226	L39-K228 HydrophobicContact CD1-CB 3.48Å; L39-K228 VanDerWaalsContact CD1-CB 3.48Å; L39-K228 HydrophobicContact CD1-CG 4.4Å; L39-K228 HydrophobicContact CD2-CB 4.49Å; L175-K228 HydrophobicContact CD1-CG 4.11Å; L175-K228 HydrophobicContact CD2-CG 3.92Å; L175-K228 HydrophobicContact CG-CG 4.01Å; E193-K228 WeakPolarHBondContact OE2-CE 3.4Å; E193-K228 IonicContact OE2-NZ 2.68Å; E193-K228 PolarHBondContact OE2-NZ 3.19Å; L225-K228 WeakPolarHBondContact O-CB 3.39Å; L225-K228 PolarHBondContact O-N 3.11Å; D226-K228 PolarHBondContact O-N 2.72Å
229	R	90.8	Very high	94.1	Very high	81 Å²	81	74.1 Å²	74.1	31%	0.306	36%	0.363	S	S	.	.			trans	-74.5	135.7	173	-60.4	-176.3	-167.9	-76.7	-5.5	108.1	L39 D125 D126 T127 L225 D226	L39-R229 HydrophobicContact CD2-CG 4.37Å; D125-R229 PolarHBondContact O-NH1 2.83Å; D126-R229 PolarHBondContact O-NH1 2.64Å; T127-R229 PolarHBondContact OG1-NH1 2.82Å; T127-R229 VanDerWaalsContact OG1-NH1 3.09Å; T127-R229 PolarHBondContact OG1-NH2 3.12Å; L225-R229 PolarHBondContact O-N 2.64Å; D226-R229 PolarHBondContact O-N 3.16Å; D226-R229 WeakPolarHBondContact OD1-CD 3.37Å; D226-R229 IonicContact OD1-CZ 2.76Å; D226-R229 IonicContact OD1-NE 2.78Å; D226-R229 PolarHBondContact OD1-NE 3.35Å
230	K	66.8	Low	93.8	Very high	280 Å²	280	75.5 Å²	75.5	100%	1.217	37%	0.368	S	S	*	.			trans	-100.9	0	175.3	-71.5	-173.3	179.1	-176.5	0	109.7

Retrieved 230 of 230 residues in 245.1 ms (Link to these results)

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