A0A077YWM1_TRITR Loading...

Tyrosine-protein kinase abl-1

AlphaFold DB , UniProt , Accession A0A077YWM1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 183 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	35	Very low	31.2	Very low	245 Å²	245	127.5 Å²	127.5	100%	1.207	78%	0.782	S	S	*	*				0	102.6	0	-63.9	178.1	-149.6	0	0	107.2	A3	M1-A3 PolarHBondContact O-N 3.01Å
2	G	32.1	Very low	32.2	Very low	77 Å²	77	119.3 Å²	119.3	79%	0.794	73%	0.734	S	S	*	*			trans	-75.3	117.3	-175.3	0	0	0	0	0	110.6	K4	G2-K4 PolarHBondContact O-N 2.69Å
3	A	32.7	Very low	32.7	Very low	101 Å²	101	115.3 Å²	115.3	84%	0.835	71%	0.709	S	S	*	*			trans	-60.4	108.6	169.8	0	0	0	0	0	108.1	M1 A5	M1-A3 PolarHBondContact O-N 3.01Å; A3-A5 PolarHBondContact O-N 2.68Å
4	K	29.5	Very low	33.5	Very low	206 Å²	206	112.8 Å²	112.8	90%	0.896	69%	0.685	S	S	*	*			trans	-61	106.1	167.4	-78	-178.6	175.6	177.6	0	106.4	G2 G6	G2-K4 PolarHBondContact O-N 2.69Å; K4-G6 VanDerWaalsContact C-N 3.31Å; K4-G6 PolarHBondContact O-N 3.4Å
5	A	33	Very low	33.8	Very low	97 Å²	97	115.5 Å²	115.5	80%	0.802	68%	0.678	S	S	*	*			trans	-56.8	100.3	168	0	0	0	0	0	107.2	A3 K7	A3-A5 PolarHBondContact O-N 2.68Å; A5-K7 PolarHBondContact O-N 3.2Å
6	G	27.2	Very low	34.3	Very low	65 Å²	65	111.9 Å²	111.9	67%	0.67	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-55.3	126.5	173.5	0	0	0	0	0	107.5	K4 S8	K4-G6 VanDerWaalsContact C-N 3.31Å; K4-G6 PolarHBondContact O-N 3.4Å; G6-S8 PolarHBondContact O-N 3.21Å; G6-S8 VanDerWaalsContact O-N 3.15Å
7	K	26.5	Very low	34.6	Very low	208 Å²	208	111.4 Å²	111.4	90%	0.904	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-49.5	123.9	172.8	-70.7	177.1	175	-178.6	0	107.6	A5 A9	A5-K7 PolarHBondContact O-N 3.2Å; K7-A9 PolarHBondContact O-N 3.41Å; K7-A9 VanDerWaalsContact O-N 3.09Å
8	S	30.7	Very low	34.9	Very low	119 Å²	119	112.1 Å²	112.1	83%	0.832	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-48.9	120.8	174.5	-64.6	0	0	0	0	108.4	G6 Q10	G6-S8 PolarHBondContact O-N 3.21Å; G6-S8 VanDerWaalsContact O-N 3.15Å; S8-Q10 PolarHBondContact O-N 2.61Å
9	A	30.8	Very low	34.9	Very low	75 Å²	75	112 Å²	112	62%	0.62	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-51.8	131.3	174	0	0	0	0	0	107.9	K7 C11	K7-A9 PolarHBondContact O-N 3.41Å; K7-A9 VanDerWaalsContact O-N 3.09Å; A9-C11 VanDerWaalsContact C-N 3.29Å; A9-C11 PolarHBondContact O-N 3.21Å; A9-C11 PolarHBondContact O-SG 3.25Å
10	Q	33.1	Very low	35	Very low	181 Å²	181	111.3 Å²	111.3	85%	0.846	62%	0.622	S	S	*	*			trans	-73.8	92.7	178.3	-160.7	169.6	-0.4	0	0	106.6	S8 S12 S52	S8-Q10 PolarHBondContact O-N 2.61Å; Q10-S12 PolarHBondContact O-N 3.01Å; Q10-S12 VanDerWaalsContact O-N 3.08Å; Q10-S52 PolarHBondContact O-OG 3.04Å; Q10-S52 VanDerWaalsContact O-OG 3.12Å
11	C	32.4	Very low	35.1	Very low	29 Å²	29	110.6 Å²	110.6	20%	0.196	63%	0.625	C	S	.	*			trans	-79.1	25.2	-164.7	-67.8	0	0	0	0	115.4	A9 F51 S52 C55	A9-C11 VanDerWaalsContact C-N 3.29Å; A9-C11 PolarHBondContact O-N 3.21Å; A9-C11 PolarHBondContact O-SG 3.25Å; C11-F51 CarbonylContact O-C 3.45Å; C11-F51 VanDerWaalsContact O-CA 3.28Å; C11-F51 WeakPolarHBondContact O-CA 3.39Å; C11-S52 CarbonylContact C-O 3.37Å; C11-S52 WeakPolarHBondContact CA-O 3.43Å; C11-S52 VanDerWaalsContact CA-OG 3.31Å; C11-S52 WeakPolarHBondContact CA-OG 3.42Å; C11-S52 WeakPolarHBondContact CB-O 3.08Å; C11-S52 PolarHBondContact O-N 2.86Å; C11-S52 PolarHBondContact O-OG 3.03Å; C11-S52 PolarHBondContact SG-O 3.39Å; C11-S52 VanDerWaalsContact SG-O 3.41Å; C11-C55 VanDerWaalsContact SG-SG 3.67Å
12	S	43	Very low	35	Very low	29 Å²	29	104.2 Å²	104.2	20%	0.203	60%	0.604	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-156.7	141.4	177.1	57.7	0	0	0	0	116.1	Q10 E50 S52 R153	Q10-S12 PolarHBondContact O-N 3.01Å; Q10-S12 VanDerWaalsContact O-N 3.08Å; S12-E50 WeakPolarHBondContact CA-O 3.39Å; S12-E50 WeakPolarHBondContact CB-O 3.47Å; S12-S52 PolarHBondContact N-OG 2.65Å; S12-R153 PolarHBondContact OG-NH2 3.08Å; S12-R153 VanDerWaalsContact OG-NH2 3.13Å
13	T	39.1	Very low	35	Very low	67 Å²	67	106.7 Å²	106.7	41%	0.411	60%	0.595	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.3	130.3	161.1	-52.6	0	0	0	0	108.1	E50	T13-E50 PolarHBondContact N-O 3.37Å; T13-E50 VanDerWaalsContact N-O 3.12Å; T13-E50 VanDerWaalsContact O-CB 3.26Å; T13-E50 WeakPolarHBondContact O-CB 3.11Å; T13-E50 PolarHBondContact O-N 2.92Å
14	E	43.8	Very low	35.1	Very low	80 Å²	80	105.7 Å²	105.7	37%	0.374	58%	0.58	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108	130.4	-178.5	-67.4	165.7	-169.7	0	0	109	R153 F155	E14-R153 IonicContact OE1-NE 3.02Å; E14-F155 HydrophobicContact CG-CE1 4.4Å
15	R	38.1	Very low	35.4	Very low	153 Å²	153	97.6 Å²	97.6	58%	0.577	55%	0.546	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.1	125.1	174.4	-68.8	-172	178.8	179.2	-0.7	110.3	F17 L48	R15-F17 HydrophobicContact CB-CD2 4.11Å; R15-F17 HydrophobicContact CB-CE2 3.29Å; R15-F17 HydrophobicContact CB-CZ 3.66Å; R15-F17 HydrophobicContact CG-CE2 4.34Å; R15-F17 HydrophobicContact CG-CZ 4.32Å; R15-L48 PolarHBondContact N-O 3.43Å; R15-L48 WeakPolarHBondContact O-CA 3.24Å; R15-L48 VanDerWaalsContact O-CB 3.26Å; R15-L48 WeakPolarHBondContact O-CB 3.35Å; R15-L48 PolarHBondContact O-N 3.14Å
16	L	41.2	Very low	35.4	Very low	58 Å²	58	94.5 Å²	94.5	30%	0.304	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	129.3	177.5	-171.1	60.5	0	0	0	108.9	V45 L47 F176 L179	L16-V45 HydrophobicContact CD1-CG1 3.89Å; L16-L47 HydrophobicContact CB-CD1 4.44Å; L16-L47 HydrophobicContact CD1-CB 4.05Å; L16-L47 HydrophobicContact CD1-CD1 3.7Å; L16-L47 HydrophobicContact CD1-CG 4.46Å; L16-F176 HydrophobicContact CD2-CD1 3.45Å; L16-F176 VanDerWaalsContact CD2-CD1 3.45Å; L16-F176 HydrophobicContact CD2-CE1 3.98Å; L16-F176 HydrophobicContact CG-CD1 3.88Å; L16-F176 HydrophobicContact CG-CE1 4.07Å; L16-L179 HydrophobicContact CD2-CB 3.88Å; L16-L179 HydrophobicContact CD2-CD1 3.83Å
17	F	39.5	Very low	35.6	Very low	103 Å²	103	96.9 Å²	96.9	45%	0.452	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	139.3	-177.9	-64.7	-82.5	0	0	0	112	R15 G46 L48	R15-F17 HydrophobicContact CB-CD2 4.11Å; R15-F17 HydrophobicContact CB-CE2 3.29Å; R15-F17 HydrophobicContact CB-CZ 3.66Å; R15-F17 HydrophobicContact CG-CE2 4.34Å; R15-F17 HydrophobicContact CG-CZ 4.32Å; F17-G46 CarbonylContact C-O 3.59Å; F17-G46 PolarHBondContact N-O 2.96Å; F17-G46 CarbonylContact O-C 3.57Å; F17-G46 PolarHBondContact O-N 3.23Å; F17-L48 HydrophobicContact CD2-CB 3.76Å; F17-L48 HydrophobicContact CD2-CD2 4.39Å; F17-L48 HydrophobicContact CE2-CB 3.81Å; F17-L48 HydrophobicContact CE2-CD2 3.64Å; F17-L48 HydrophobicContact CE2-CG 4.36Å
18	R	40.2	Very low	35.8	Very low	124 Å²	124	90.7 Å²	90.7	47%	0.468	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	133.8	172.7	178.4	-175.3	-177.3	173.1	4.3	109.6	H169	R18-H169 PolarHBondContact NH1-CE1 3.49Å; R18-H169 PolarHBondContact NH1-NE2 3.17Å
19	R	36.1	Very low	35.7	Very low	111 Å²	111	91.7 Å²	91.7	42%	0.419	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-95.4	130.8	157.1	-166.4	179	-178.8	-167.7	-1	108.9	S21	R19-S21 PolarHBondContact O-N 2.91Å
20	P	35.2	Very low	35.6	Very low	98 Å²	98	96.2 Å²	96.2	64%	0.636	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-63.7	118.3	169.2	-18.3	30.9	0	0	0	109.5	S22	P20-S22 PolarHBondContact O-N 3.45Å
21	S	37.1	Very low	35.5	Very low	96 Å²	96	91.8 Å²	91.8	67%	0.671	48%	0.477	S	S	*	.	S	Bend	trans	-69.7	94	-179.4	59.8	0	0	0	0	110.9	R19	R19-S21 PolarHBondContact O-N 2.91Å
22	S	33.4	Very low	35.2	Very low	111 Å²	111	94.6 Å²	94.6	78%	0.776	51%	0.512	S	S	*	.	S	Bend	trans	-133.8	-6	161.9	67.6	0	0	0	0	113.9	P20	P20-S22 PolarHBondContact O-N 3.45Å
23	Q	31.6	Very low	34.4	Very low	130 Å²	130	96.4 Å²	96.4	61%	0.607	54%	0.535	S	S	*	.	S	Bend	trans	-140.8	118.5	171	-81.8	178.2	-26.1	0	0	107.7
24	P	34.8	Very low	33.8	Very low	79 Å²	79	101.7 Å²	101.7	51%	0.513	56%	0.555	S	S	.	*			trans	-59.2	140.5	169.3	25.6	-30.9	0	0	0	108.5	F26	P24-F26 WeakPolarHBondContact CB-O 3.26Å; P24-F26 PolarHBondContact O-N 3.5Å
25	L	36.8	Very low	33.1	Very low	36 Å²	36	106.4 Å²	106.4	19%	0.188	58%	0.577	C	S	.	*	S	Bend	trans	-60.6	-23.5	175.3	-112.5	111	0	0	0	112.7	L133	L25-L133 HydrophobicContact CD1-CD1 3.63Å; L25-L133 HydrophobicContact CD2-CD1 3.57Å; L25-L133 HydrophobicContact CG-CD1 4.24Å
26	F	33.5	Very low	32.7	Very low	32 Å²	32	102.8 Å²	102.8	14%	0.14	59%	0.588	C	S	.	*	S	Bend	trans	-116.8	129.1	-179	-51.2	-74.2	0	0	0	109.3	P24 T28 S70 T111 D135	P24-F26 WeakPolarHBondContact CB-O 3.26Å; P24-F26 PolarHBondContact O-N 3.5Å; F26-T28 PolarHBondContact O-N 3.15Å; F26-T28 VanDerWaalsContact O-N 3.1Å; F26-S70 WeakPolarHBondContact CZ-OG 3.47Å; F26-T111 HydrophobicContact CD1-CG2 4.27Å; F26-T111 HydrophobicContact CE1-CG2 3.59Å; F26-T111 HydrophobicContact CZ-CG2 3.98Å; F26-D135 WeakPolarHBondContact CD2-OD2 3.28Å; F26-D135 WeakPolarHBondContact CE2-OD2 3.36Å
27	D	30.9	Very low	32.3	Very low	116 Å²	116	106.2 Å²	106.2	62%	0.62	61%	0.611	S	S	*	*			trans	-58.4	116.6	158.5	-94.9	-36.7	0	0	0	107.3	N29 H30	D27-N29 HydrophobicContact CB-CB 4.45Å; D27-N29 PolarHBondContact O-N 3.41Å; D27-H30 PolarHBondContact O-N 2.98Å; D27-H30 VanDerWaalsContact O-N 3.14Å
28	T	31.7	Very low	31.9	Very low	78 Å²	78	108 Å²	108	48%	0.479	63%	0.625	S	S	.	*	G	3₁₀ helix	trans	-55.7	-12.2	173.6	40.9	0	0	0	0	112.5	F26 H30 L31	F26-T28 PolarHBondContact O-N 3.15Å; F26-T28 VanDerWaalsContact O-N 3.1Å; T28-H30 PolarHBondContact O-N 3.11Å; T28-L31 HydrophobicContact CG2-CD1 4.14Å; T28-L31 VanDerWaalsContact O-CB 3.28Å; T28-L31 WeakPolarHBondContact O-CB 3.41Å; T28-L31 PolarHBondContact O-N 2.64Å
29	N	27.7	Very low	31.6	Very low	139 Å²	139	110.8 Å²	110.8	74%	0.743	64%	0.643	S	S	*	*	G	3₁₀ helix	trans	-66.7	-16.1	175.7	-64.9	-25.3	0	0	0	114.3	D27 L31	D27-N29 HydrophobicContact CB-CB 4.45Å; D27-N29 PolarHBondContact O-N 3.41Å; N29-L31 VanDerWaalsContact C-N 3.3Å
30	H	28.1	Very low	31.5	Very low	170 Å²	170	110.6 Å²	110.6	79%	0.787	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-84.4	-5.9	170.4	-72.2	-59.2	0	0	0	113.4	D27 T28 G32	D27-H30 PolarHBondContact O-N 2.98Å; D27-H30 VanDerWaalsContact O-N 3.14Å; T28-H30 PolarHBondContact O-N 3.11Å; H30-G32 PolarHBondContact O-N 2.92Å; H30-G32 VanDerWaalsContact O-N 3.17Å
31	L	30.5	Very low	31.6	Very low	88 Å²	88	107.8 Å²	107.8	46%	0.461	64%	0.643	S	S	.	*	S	Bend	trans	-83.4	89.8	169.6	-56.1	171.1	0	0	0	106.9	T28 N29 G33	T28-L31 HydrophobicContact CG2-CD1 4.14Å; T28-L31 VanDerWaalsContact O-CB 3.28Å; T28-L31 WeakPolarHBondContact O-CB 3.41Å; T28-L31 PolarHBondContact O-N 2.64Å; N29-L31 VanDerWaalsContact C-N 3.3Å; L31-G33 PolarHBondContact O-N 3.36Å
32	G	26.5	Very low	31.7	Very low	89 Å²	89	107.7 Å²	107.7	92%	0.918	63%	0.631	S	S	*	*			trans	-58.3	93.8	164.1	0	0	0	0	0	108.6	H30	H30-G32 PolarHBondContact O-N 2.92Å; H30-G32 VanDerWaalsContact O-N 3.17Å
33	G	27	Very low	32.1	Very low	67 Å²	67	105 Å²	105	69%	0.691	61%	0.609	S	S	*	*			trans	180	98.9	-173.6	0	0	0	0	0	110.5	L31	L31-G33 PolarHBondContact O-N 3.36Å
34	E	26.6	Very low	32.8	Very low	177 Å²	177	99.4 Å²	99.4	83%	0.827	58%	0.584	S	S	*	*			trans	-56.3	144.8	177.8	-61.6	175.3	101.7	0	0	112.9
35	Q	29.4	Very low	33.3	Very low	179 Å²	179	96.1 Å²	96.1	84%	0.836	56%	0.562	S	S	*	*	S	Bend	trans	56.8	109.8	149.4	-68.6	175.1	30.4	0	0	119.1
36	G	28.2	Very low	33.7	Very low	78 Å²	78	94.6 Å²	94.6	80%	0.804	56%	0.555	S	S	*	*			trans	96.5	21.6	132.7	0	0	0	0	0	118	D38	G36-D38 PolarHBondContact O-N 3.15Å
37	V	33.7	Very low	34.5	Very low	130 Å²	130	93.8 Å²	93.8	79%	0.788	55%	0.552	S	S	*	*			trans	-81.9	108.9	168.4	-169.9	0	0	0	0	108.4	H39	V37-H39 PolarHBondContact O-N 2.72Å
38	D	31.9	Very low	35.1	Very low	139 Å²	139	89.3 Å²	89.3	74%	0.743	53%	0.528	S	S	*	.			trans	-37.3	133.3	172.5	-81.3	-46.1	0	0	0	111.2	G36 T40	G36-D38 PolarHBondContact O-N 3.15Å; D38-T40 PolarHBondContact O-N 3.48Å; D38-T40 PolarHBondContact O-OG1 3.22Å
39	H	32.2	Very low	35.9	Very low	184 Å²	184	85.8 Å²	85.8	85%	0.852	51%	0.506	S	S	*	.			trans	-67.7	54	179.6	-58.6	-69	0	0	0	112.5	V37 G41	V37-H39 PolarHBondContact O-N 2.72Å; H39-G41 VanDerWaalsContact C-N 3.33Å; H39-G41 PolarHBondContact O-N 3.01Å
40	T	34.8	Very low	36.9	Very low	107 Å²	107	81.2 Å²	81.2	66%	0.656	48%	0.48	S	S	*	.			trans	-59.4	102.9	161.4	47.7	0	0	0	0	106.5	D38 F42	D38-T40 PolarHBondContact O-N 3.48Å; D38-T40 PolarHBondContact O-OG1 3.22Å; T40-F42 PolarHBondContact O-N 3.23Å
41	G	37.4	Very low	37.8	Very low	39 Å²	39	73.3 Å²	73.3	40%	0.402	44%	0.444	S	S	.	.			trans	-52.7	125.9	-166.5	0	0	0	0	0	112.4	H39 V43	H39-G41 VanDerWaalsContact C-N 3.33Å; H39-G41 PolarHBondContact O-N 3.01Å; G41-V43 PolarHBondContact O-N 2.91Å
42	F	40	Very low	38.4	Very low	93 Å²	93	71 Å²	71	41%	0.408	44%	0.435	S	S	.	.			trans	-64.3	125.7	170.5	-57.9	-77.7	0	0	0	108.9	T40 F137	T40-F42 PolarHBondContact O-N 3.23Å; F42-F137 HydrophobicContact CD1-CE1 4.12Å; F42-F137 HydrophobicContact CD1-CZ 4.2Å; F42-F137 HydrophobicContact CE1-CD1 4.15Å; F42-F137 AromaticContact CE1-CE1 3.35Å; F42-F137 HydrophobicContact CE1-CE1 3.35Å; F42-F137 AromaticContact CE1-CZ 3.78Å; F42-F137 HydrophobicContact CE1-CZ 3.78Å; F42-F137 HydrophobicContact CZ-CE1 4.2Å
43	V	41.8	Very low	39.1	Very low	54 Å²	54	68.2 Å²	68.2	33%	0.327	41%	0.406	S	S	.	.			trans	-105.1	98.2	170.2	-176.6	0	0	0	0	107.6	G41 V45 V163	G41-V43 PolarHBondContact O-N 2.91Å; V43-V45 HydrophobicContact CG1-CG2 3.93Å; V43-V45 PolarHBondContact O-N 3.22Å; V43-V163 HydrophobicContact CG2-CB 3.95Å; V43-V163 HydrophobicContact CG2-CG1 3.54Å; V43-V163 HydrophobicContact CG2-CG2 4.06Å
44	D	46.3	Very low	39.9	Very low	13 Å²	13	70.6 Å²	70.6	7%	0.07	41%	0.412	C	S	.	.			trans	-66.4	103.2	172.1	-55.4	3	0	0	0	107.8
45	V	44.7	Very low	40.8	Very low	11 Å²	11	62.8 Å²	62.8	7%	0.067	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	116.9	174.3	179.7	0	0	0	0	108.1	L16 V43 F134 F136 F176	L16-V45 HydrophobicContact CD1-CG1 3.89Å; V43-V45 HydrophobicContact CG1-CG2 3.93Å; V43-V45 PolarHBondContact O-N 3.22Å; V45-F134 PolarHBondContact N-O 3.02Å; V45-F134 PolarHBondContact O-N 3.48Å; V45-F136 HydrophobicContact CB-CE2 4.15Å; V45-F176 HydrophobicContact CG1-CE1 4.07Å
46	G	45.9	Very low	41.6	Very low	4 Å²	4	56.4 Å²	56.4	4%	0.041	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	117	176.3	0	0	0	0	0	112.1	F17	F17-G46 CarbonylContact C-O 3.59Å; F17-G46 PolarHBondContact N-O 2.96Å; F17-G46 CarbonylContact O-C 3.57Å; F17-G46 PolarHBondContact O-N 3.23Å
47	L	48.8	Very low	42.8	Very low	14 Å²	14	54.6 Å²	54.6	7%	0.073	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	113.2	170.6	-178.7	64	0	0	0	108.7	L16 I49 A132 F134 L144 F155	L16-L47 HydrophobicContact CB-CD1 4.44Å; L16-L47 HydrophobicContact CD1-CB 4.05Å; L16-L47 HydrophobicContact CD1-CD1 3.7Å; L16-L47 HydrophobicContact CD1-CG 4.46Å; L47-I49 HydrophobicContact CD1-CG1 4.42Å; L47-I49 HydrophobicContact CD2-CD1 3.55Å; L47-I49 HydrophobicContact CD2-CG1 3.83Å; L47-I49 HydrophobicContact CG-CD1 3.86Å; L47-I49 HydrophobicContact CG-CG1 3.59Å; L47-A132 PolarHBondContact N-O 3.47Å; L47-A132 PolarHBondContact O-N 3.35Å; L47-F134 HydrophobicContact CB-CE2 4.16Å; L47-F134 HydrophobicContact CD2-CE2 4.47Å; L47-L144 HydrophobicContact CD2-CD2 4.07Å; L47-F155 HydrophobicContact CD2-CB 4.44Å; L47-F155 HydrophobicContact CD2-CD1 3.82Å; L47-F155 HydrophobicContact CD2-CD2 4.23Å; L47-F155 HydrophobicContact CD2-CE1 4.09Å; L47-F155 HydrophobicContact CD2-CE2 4.47Å; L47-F155 HydrophobicContact CD2-CG 3.89Å; L47-F155 HydrophobicContact CD2-CZ 4.4Å
48	L	43.6	Very low	43.8	Very low	23 Å²	23	50.3 Å²	50.3	12%	0.12	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	119.3	168.8	-179.5	79.9	0	0	0	108.4	R15 F17 M74 R129 F130 I131	R15-L48 PolarHBondContact N-O 3.43Å; R15-L48 WeakPolarHBondContact O-CA 3.24Å; R15-L48 VanDerWaalsContact O-CB 3.26Å; R15-L48 WeakPolarHBondContact O-CB 3.35Å; R15-L48 PolarHBondContact O-N 3.14Å; F17-L48 HydrophobicContact CD2-CB 3.76Å; F17-L48 HydrophobicContact CD2-CD2 4.39Å; F17-L48 HydrophobicContact CE2-CB 3.81Å; F17-L48 HydrophobicContact CE2-CD2 3.64Å; F17-L48 HydrophobicContact CE2-CG 4.36Å; L48-M74 HydrophobicContact CD1-CE 4.43Å; L48-R129 HydrophobicContact CD1-CB 4.34Å; L48-F130 WeakPolarHBondContact CA-O 3.28Å; L48-F130 WeakPolarHBondContact CD1-O 3.46Å; L48-I131 HydrophobicContact CD1-CB 4.47Å; L48-I131 HydrophobicContact CD1-CD1 4.29Å; L48-I131 HydrophobicContact CD1-CG1 3.37Å
49	I	49.8	Very low	45	Very low	3 Å²	3	43.8 Å²	43.8	2%	0.015	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	105.5	179.9	-50.4	173.9	0	0	0	106.9	L47 F51 F130 L144 L146 F155	L47-I49 HydrophobicContact CD1-CG1 4.42Å; L47-I49 HydrophobicContact CD2-CD1 3.55Å; L47-I49 HydrophobicContact CD2-CG1 3.83Å; L47-I49 HydrophobicContact CG-CD1 3.86Å; L47-I49 HydrophobicContact CG-CG1 3.59Å; I49-F51 HydrophobicContact CG2-CD2 4.02Å; I49-F51 HydrophobicContact CG2-CE2 3.52Å; I49-F51 HydrophobicContact CG2-CZ 4.03Å; I49-F130 PolarHBondContact N-O 2.85Å; I49-F130 PolarHBondContact O-N 3.45Å; I49-L144 HydrophobicContact CD1-CD2 4.29Å; I49-L146 HydrophobicContact CD1-CD1 3.14Å; I49-L146 HydrophobicContact CD1-CG 4.44Å; I49-L146 HydrophobicContact CG1-CD1 4.44Å; I49-L146 HydrophobicContact CG2-CD1 4.39Å; I49-F155 HydrophobicContact CD1-CD2 4.42Å; I49-F155 HydrophobicContact CD1-CE2 3.79Å; I49-F155 HydrophobicContact CD1-CZ 4.02Å; I49-F155 HydrophobicContact CG1-CE2 4.49Å; I49-F155 HydrophobicContact CG1-CZ 4.23Å; I49-F155 HydrophobicContact CG2-CZ 4.21Å
50	E	48.3	Very low	46.1	Very low	43 Å²	43	36.9 Å²	36.9	20%	0.201	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	110.3	175.1	-172.1	169.1	-152.5	0	0	108.5	S12 T13 S52 R129	S12-E50 WeakPolarHBondContact CA-O 3.39Å; S12-E50 WeakPolarHBondContact CB-O 3.47Å; T13-E50 PolarHBondContact N-O 3.37Å; T13-E50 VanDerWaalsContact N-O 3.12Å; T13-E50 VanDerWaalsContact O-CB 3.26Å; T13-E50 WeakPolarHBondContact O-CB 3.11Å; T13-E50 PolarHBondContact O-N 2.92Å; E50-S52 PolarHBondContact O-N 2.7Å; E50-R129 HydrophobicContact CG-CG 4.15Å; E50-R129 IonicContact OE1-CZ 2.85Å; E50-R129 IonicContact OE1-NE 2.67Å; E50-R129 PolarHBondContact OE1-NE 3.42Å; E50-R129 IonicContact OE1-NH2 3.72Å; E50-R129 PolarHBondContact OE1-NH2 2.87Å
51	F	47.5	Very low	47.2	Very low	5 Å²	5	31.8 Å²	31.8	2%	0.022	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	98.8	162.2	-68.1	-88.3	0	0	0	107.3	C11 I49 L59 F130 L146 K148 V151 R153	C11-F51 CarbonylContact O-C 3.45Å; C11-F51 VanDerWaalsContact O-CA 3.28Å; C11-F51 WeakPolarHBondContact O-CA 3.39Å; I49-F51 HydrophobicContact CG2-CD2 4.02Å; I49-F51 HydrophobicContact CG2-CE2 3.52Å; I49-F51 HydrophobicContact CG2-CZ 4.03Å; F51-L59 HydrophobicContact CD2-CD1 4.34Å; F51-L59 HydrophobicContact CE2-CD1 3.56Å; F51-L59 HydrophobicContact CZ-CD1 3.97Å; F51-F130 HydrophobicContact CD2-CD2 4.3Å; F51-F130 HydrophobicContact CD2-CE2 4.46Å; F51-L146 HydrophobicContact CZ-CB 4.37Å; F51-K148 HydrophobicContact CB-CD 3.83Å; F51-K148 HydrophobicContact CD1-CB 4.02Å; F51-K148 HydrophobicContact CD1-CD 4.2Å; F51-K148 HydrophobicContact CD2-CD 4.19Å; F51-K148 HydrophobicContact CE1-CB 3.96Å; F51-K148 HydrophobicContact CG-CB 4.38Å; F51-K148 HydrophobicContact CG-CD 3.82Å; F51-K148 HydrophobicContact CZ-CB 4.28Å; F51-V151 HydrophobicContact CE1-CG1 4.3Å; F51-R153 HydrophobicContact CE1-CG 4.31Å
52	S	42.2	Very low	48	Very low	40 Å²	40	32.8 Å²	32.8	28%	0.28	21%	0.213	S	C	.	.			trans	-77.1	141	176.6	55.5	0	0	0	0	111	Q10 C11 S12 E50	Q10-S52 PolarHBondContact O-OG 3.04Å; Q10-S52 VanDerWaalsContact O-OG 3.12Å; C11-S52 CarbonylContact C-O 3.37Å; C11-S52 WeakPolarHBondContact CA-O 3.43Å; C11-S52 VanDerWaalsContact CA-OG 3.31Å; C11-S52 WeakPolarHBondContact CA-OG 3.42Å; C11-S52 WeakPolarHBondContact CB-O 3.08Å; C11-S52 PolarHBondContact O-N 2.86Å; C11-S52 PolarHBondContact O-OG 3.03Å; C11-S52 PolarHBondContact SG-O 3.39Å; C11-S52 VanDerWaalsContact SG-O 3.41Å; S12-S52 PolarHBondContact N-OG 2.65Å; E50-S52 PolarHBondContact O-N 2.7Å
53	G	41.4	Very low	48.8	Very low	29 Å²	29	32.3 Å²	32.3	30%	0.299	21%	0.212	S	C	.	.	S	Bend	trans	89.7	178.4	174.1	0	0	0	0	0	115.5	C55	G53-C55 PolarHBondContact O-N 3.2Å
54	S	43.9	Very low	49.4	Very low	118 Å²	118	31.2 Å²	31.2	83%	0.825	21%	0.207	S	C	*	.			trans	-73.7	42.4	-173.3	72.4	0	0	0	0	113.6	G56	S54-G56 PolarHBondContact O-N 3.32Å
55	C	45.4	Very low	49.7	Very low	13 Å²	13	30.8 Å²	30.8	9%	0.088	20%	0.204	C	C	.	.			trans	-62.2	94.6	163.2	-69.3	0	0	0	0	106.6	C11 G53 K148	C11-C55 VanDerWaalsContact SG-SG 3.67Å; G53-C55 PolarHBondContact O-N 3.2Å; C55-K148 HydrophobicContact CB-CD 3.78Å; C55-K148 HydrophobicContact CB-CG 4.06Å; C55-K148 WeakPolarHBondContact O-CE 3.49Å; C55-K148 PolarHBondContact O-NZ 3.09Å
56	G	46.6	Very low	50.1	Low	44 Å²	44	33 Å²	33	45%	0.454	22%	0.221	S	C	.	.			trans	-66.3	167.1	174.3	0	0	0	0	0	110.7	S54 D149	S54-G56 PolarHBondContact O-N 3.32Å; G56-D149 WeakPolarHBondContact O-CB 3.3Å
57	G	52.1	Low	50.2	Low	41 Å²	41	33 Å²	33	42%	0.423	22%	0.221	S	C	.	.	S	Bend	trans	82.6	165.9	173.3	0	0	0	0	0	115.1
58	P	56.2	Low	50.2	Low	40 Å²	40	34.2 Å²	34.2	26%	0.26	22%	0.224	S	C	.	.			trans	-68.2	153.2	-171.9	29.7	-35.9	0	0	0	111.9	R123	P58-R123 HydrophobicContact CB-CB 3.86Å; P58-R123 HydrophobicContact CB-CG 3.64Å; P58-R123 HydrophobicContact CG-CG 4.41Å
59	L	55.9	Low	50.6	Low	2 Å²	2	33.4 Å²	33.4	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	136.5	161.8	-179	70.7	0	0	0	107.8	F51 V122 F130 L146 R147 K148	F51-L59 HydrophobicContact CD2-CD1 4.34Å; F51-L59 HydrophobicContact CE2-CD1 3.56Å; F51-L59 HydrophobicContact CZ-CD1 3.97Å; L59-V122 CarbonylContact C-O 2.98Å; L59-V122 WeakPolarHBondContact CA-O 3.23Å; L59-V122 WeakPolarHBondContact CB-O 3.22Å; L59-V122 PolarHBondContact N-O 2.75Å; L59-V122 CarbonylContact O-C 3.22Å; L59-V122 WeakPolarHBondContact O-CA 3.49Å; L59-V122 PolarHBondContact O-N 3.43Å; L59-F130 HydrophobicContact CB-CE1 4.13Å; L59-F130 HydrophobicContact CB-CE2 4.18Å; L59-F130 HydrophobicContact CB-CZ 3.66Å; L59-F130 HydrophobicContact CD2-CB 4.5Å; L59-F130 HydrophobicContact CD2-CD1 3.6Å; L59-F130 HydrophobicContact CD2-CD2 3.89Å; L59-F130 HydrophobicContact CD2-CE1 3.54Å; L59-F130 HydrophobicContact CD2-CE2 3.85Å; L59-F130 HydrophobicContact CD2-CG 3.73Å; L59-F130 HydrophobicContact CD2-CZ 3.64Å; L59-F130 HydrophobicContact CG-CE1 4.47Å; L59-F130 HydrophobicContact CG-CE2 4.44Å; L59-F130 HydrophobicContact CG-CZ 4.21Å; L59-L146 HydrophobicContact CD1-CB 4.24Å; L59-L146 HydrophobicContact CD1-CD1 4.47Å; L59-R147 CarbonylContact C-O 3.44Å; L59-K148 HydrophobicContact CD1-CB 4.33Å
60	E	55.8	Low	50.4	Low	38 Å²	38	33.4 Å²	33.4	18%	0.178	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	127.8	175.3	-61.8	178.9	-159.4	0	0	108.3	L62 T121 L146 R147	E60-L62 HydrophobicContact CB-CD2 4.06Å; E60-L62 PolarHBondContact O-N 2.67Å; E60-L62 WeakPolarHBondContact OE2-CD2 3.38Å; E60-T121 HydrophobicContact CG-CG2 3.93Å; E60-L146 CarbonylContact O-C 3.37Å; E60-L146 VanDerWaalsContact O-CA 3.28Å; E60-L146 WeakPolarHBondContact O-CA 3.1Å; E60-R147 HydrophobicContact CB-CB 4.29Å; E60-R147 PolarHBondContact N-O 3.22Å; E60-R147 PolarHBondContact O-N 3.04Å; E60-R147 IonicContact OE1-CZ 3.55Å; E60-R147 IonicContact OE1-NE 3.64Å; E60-R147 IonicContact OE1-NH2 3.39Å; E60-R147 PolarHBondContact OE1-NH2 3.24Å; E60-R147 IonicContact OE2-CZ 2.87Å; E60-R147 IonicContact OE2-NE 3.02Å; E60-R147 PolarHBondContact OE2-NE 3.12Å; E60-R147 IonicContact OE2-NH2 3.77Å; E60-R147 PolarHBondContact OE2-NH2 3.15Å
61	V	58.2	Low	50.4	Low	0 Å²	0	32 Å²	32	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	99.9	167.4	-169.5	0	0	0	0	106.3	Q63 C64 L69 A119 C120 V122 L144 T145 L146	V61-Q63 VanDerWaalsContact C-N 3.32Å; V61-Q63 WeakPolarHBondContact CG1-O 3.49Å; V61-C64 WeakPolarHBondContact CG1-SG 3.31Å; V61-L69 HydrophobicContact CB-CD2 4.35Å; V61-L69 HydrophobicContact CG1-CD2 3.81Å; V61-L69 HydrophobicContact CG2-CD2 3.83Å; V61-A119 CarbonylContact O-C 3.55Å; V61-A119 VanDerWaalsContact O-C 3.22Å; V61-A119 WeakPolarHBondContact O-CA 3.28Å; V61-A119 WeakPolarHBondContact O-CB 3.45Å; V61-C120 VanDerWaalsContact CA-O 3.27Å; V61-C120 WeakPolarHBondContact CA-O 3.28Å; V61-C120 HydrophobicContact CB-CB 4.03Å; V61-C120 WeakPolarHBondContact CB-O 3.5Å; V61-C120 HydrophobicContact CG2-CB 4.32Å; V61-C120 VanDerWaalsContact CG2-O 3.3Å; V61-C120 WeakPolarHBondContact CG2-O 3.33Å; V61-C120 PolarHBondContact N-O 3.13Å; V61-C120 PolarHBondContact O-N 3.13Å; V61-V122 HydrophobicContact CG2-CG2 4.12Å; V61-L144 HydrophobicContact CG1-CD1 3.65Å; V61-T145 CarbonylContact C-O 3.54Å; V61-T145 WeakPolarHBondContact CA-O 3.48Å; V61-L146 HydrophobicContact CB-CD2 3.94Å; V61-L146 HydrophobicContact CG1-CD2 3.86Å; V61-L146 HydrophobicContact CG2-CD2 3.62Å
62	L	54.8	Low	50.2	Low	61 Å²	61	32 Å²	32	32%	0.319	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	-27.3	-179.3	-58.4	-175.8	0	0	0	112.3	E60 A119 T145 R147 V152	E60-L62 HydrophobicContact CB-CD2 4.06Å; E60-L62 PolarHBondContact O-N 2.67Å; E60-L62 WeakPolarHBondContact OE2-CD2 3.38Å; L62-A119 WeakPolarHBondContact O-CB 3.32Å; L62-T145 HydrophobicContact CB-CG2 3.88Å; L62-T145 HydrophobicContact CD1-CG2 3.95Å; L62-T145 HydrophobicContact CG-CG2 4.31Å; L62-T145 PolarHBondContact N-O 2.82Å; L62-R147 HydrophobicContact CD1-CB 3.8Å; L62-R147 HydrophobicContact CD2-CB 4.3Å; L62-R147 HydrophobicContact CG-CB 3.97Å; L62-V152 HydrophobicContact CD1-CG1 4.32Å
63	Q	54.8	Low	50.3	Low	83 Å²	83	30.9 Å²	30.9	39%	0.388	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	123.3	179.4	-169.2	175.4	-3	0	0	108.3	V61 L144 T145	V61-Q63 VanDerWaalsContact C-N 3.32Å; V61-Q63 WeakPolarHBondContact CG1-O 3.49Å; Q63-L144 WeakPolarHBondContact O-CA 3.48Å; Q63-T145 PolarHBondContact N-O 2.7Å; Q63-T145 PolarHBondContact O-N 3.25Å; Q63-T145 PolarHBondContact OE1-OG1 3.03Å
64	C	55.6	Low	50.1	Low	31 Å²	31	34.3 Å²	34.3	21%	0.209	22%	0.218	C	C	.	.			trans	-93.5	141.7	173.1	-74	0	0	0	0	109.6	V61 C120 Q143	V61-C64 WeakPolarHBondContact CG1-SG 3.31Å; C64-C120 VanDerWaalsContact SG-SG 3.7Å; C64-Q143 CarbonylContact C-O 3.52Å
65	P	53.2	Low	49.7	Very low	3 Å²	3	30.5 Å²	30.5	2%	0.019	19%	0.192	C	C	.	.			trans	-64.1	157.2	166.5	30	-34.7	0	0	0	110.5	G67 F134 F136 D142 L157	P65-G67 PolarHBondContact O-N 3.04Å; P65-F134 HydrophobicContact CG-CD1 3.51Å; P65-F134 HydrophobicContact CG-CE1 3.67Å; P65-F136 HydrophobicContact CB-CD1 4.27Å; P65-F136 HydrophobicContact CB-CE1 3.64Å; P65-F136 HydrophobicContact CG-CD1 4.48Å; P65-F136 HydrophobicContact CG-CE1 3.67Å; P65-F136 HydrophobicContact CG-CZ 4.45Å; P65-D142 HydrophobicContact CB-CB 3.49Å; P65-D142 VanDerWaalsContact CB-CB 3.49Å; P65-L157 HydrophobicContact CB-CD1 3.81Å; P65-L157 HydrophobicContact CG-CD1 3.93Å
66	S	51.4	Low	49.3	Very low	58 Å²	58	39.4 Å²	39.4	41%	0.406	23%	0.232	S	C	.	.	S	Bend	trans	-60.6	105.5	170.7	-43	0	0	0	0	109.4	F137 D142 R159	S66-F137 VanDerWaalsContact O-O 3.11Å; S66-D142 VanDerWaalsContact CB-OD1 3.28Å; S66-D142 WeakPolarHBondContact CB-OD1 3.16Å; S66-D142 PolarHBondContact N-OD1 2.56Å; S66-D142 VanDerWaalsContact N-OD1 3.13Å; S66-D142 PolarHBondContact OG-OD1 2.93Å; S66-R159 PolarHBondContact O-NH2 2.97Å
67	G	48.9	Very low	48.5	Very low	5 Å²	5	41.3 Å²	41.3	5%	0.052	24%	0.238	C	C	.	.	S	Bend	trans	155.3	-164.3	179.3	0	0	0	0	0	112.7	P65 A114 D135	P65-G67 PolarHBondContact O-N 3.04Å; G67-A114 WeakPolarHBondContact O-CB 3.32Å; G67-A114 PolarHBondContact O-N 3.29Å; G67-D135 CarbonylContact C-O 3.57Å; G67-D135 VanDerWaalsContact CA-O 3.32Å; G67-D135 WeakPolarHBondContact CA-O 3.31Å
68	R	49.1	Very low	47.5	Very low	38 Å²	38	41.9 Å²	41.9	14%	0.143	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	121.1	172.2	-58.7	175.8	81.9	-154.8	8	108.5	D135 F137	R68-D135 HydrophobicContact CB-CB 4.25Å; R68-D135 PolarHBondContact N-O 3.28Å; R68-D135 PolarHBondContact O-N 2.81Å; R68-F137 HydrophobicContact CB-CE2 4.44Å; R68-F137 HydrophobicContact CG-CD2 4.42Å; R68-F137 HydrophobicContact CG-CE2 3.9Å
69	L	50.7	Low	46.4	Very low	7 Å²	7	43.9 Å²	43.9	4%	0.037	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	124.9	170	166.8	54.4	0	0	0	109.2	V61 V71 A112 A132 F134 L144	V61-L69 HydrophobicContact CB-CD2 4.35Å; V61-L69 HydrophobicContact CG1-CD2 3.81Å; V61-L69 HydrophobicContact CG2-CD2 3.83Å; L69-V71 HydrophobicContact CD1-CG2 3.63Å; L69-V71 HydrophobicContact CD2-CG2 3.97Å; L69-V71 HydrophobicContact CG-CG2 3.8Å; L69-A112 PolarHBondContact O-N 3.42Å; L69-A132 HydrophobicContact CD1-CB 3.98Å; L69-F134 HydrophobicContact CB-CD1 4.2Å; L69-F134 HydrophobicContact CB-CE1 4Å; L69-F134 HydrophobicContact CD1-CD1 3.7Å; L69-F134 HydrophobicContact CD1-CE1 3.12Å; L69-F134 HydrophobicContact CD1-CE2 4.13Å; L69-F134 HydrophobicContact CD1-CG 4.39Å; L69-F134 HydrophobicContact CD1-CZ 3.33Å; L69-F134 HydrophobicContact CD2-CE1 4.05Å; L69-F134 HydrophobicContact CD2-CZ 4.5Å; L69-F134 HydrophobicContact CG-CD1 4.45Å; L69-F134 HydrophobicContact CG-CE1 3.87Å; L69-F134 HydrophobicContact CG-CZ 4.42Å; L69-L144 HydrophobicContact CD2-CD1 4.27Å
70	S	47	Very low	45.4	Very low	3 Å²	3	45.2 Å²	45.2	2%	0.021	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	112.2	168.3	-70.4	0	0	0	0	113.2	F26 S110 T111 L133	F26-S70 WeakPolarHBondContact CZ-OG 3.47Å; S70-S110 WeakPolarHBondContact CA-O 3.36Å; S70-S110 VanDerWaalsContact CB-O 3.3Å; S70-S110 WeakPolarHBondContact CB-O 3.49Å; S70-S110 PolarHBondContact OG-O 2.9Å; S70-T111 WeakPolarHBondContact OG-CG2 2.82Å; S70-L133 PolarHBondContact N-O 3.47Å; S70-L133 PolarHBondContact O-N 2.75Å
71	V	48.4	Very low	44.2	Very low	14 Å²	14	45 Å²	45	9%	0.085	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	116.5	178.4	-174.9	0	0	0	0	108.8	L69 W108 V122 F130	L69-V71 HydrophobicContact CD1-CG2 3.63Å; L69-V71 HydrophobicContact CD2-CG2 3.97Å; L69-V71 HydrophobicContact CG-CG2 3.8Å; V71-W108 VanDerWaalsContact O-O 3.08Å; V71-V122 HydrophobicContact CB-CG2 4.46Å; V71-V122 HydrophobicContact CG1-CG1 4.22Å; V71-V122 HydrophobicContact CG2-CG2 4.23Å; V71-F130 HydrophobicContact CG1-CB 4.49Å; V71-F130 HydrophobicContact CG1-CD1 3.72Å; V71-F130 HydrophobicContact CG1-CE1 4.49Å
72	A	43.9	Very low	43.1	Very low	4 Å²	4	47.2 Å²	47.2	3%	0.033	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	125.9	167	0	0	0	0	0	109.8	W108 I131	A72-W108 VanDerWaalsContact CA-O 3.26Å; A72-W108 WeakPolarHBondContact CA-O 3.49Å; A72-I131 PolarHBondContact N-O 2.73Å; A72-I131 PolarHBondContact O-N 2.74Å
73	A	43.5	Very low	42.1	Very low	16 Å²	16	50.1 Å²	50.1	13%	0.132	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	117.1	172.5	0	0	0	0	0	109	I128 F130	A73-I128 HydrophobicContact CB-CD1 3.99Å; A73-I128 HydrophobicContact CB-CG2 3.53Å; A73-F130 HydrophobicContact CB-CD1 4.47Å; A73-F130 HydrophobicContact CB-CE1 4.49Å
74	M	37	Very low	40.9	Very low	102 Å²	102	48.6 Å²	48.6	50%	0.502	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	105.2	166.9	-66.8	-170.4	-56.9	0	0	108.1	L48 R129 I131	L48-M74 HydrophobicContact CD1-CE 4.43Å; M74-R129 PolarHBondContact N-O 2.86Å; M74-R129 VanDerWaalsContact N-O 3.07Å; M74-I131 HydrophobicContact CE-CD1 3.3Å; M74-I131 HydrophobicContact CE-CG1 3.82Å; M74-I131 HydrophobicContact SD-CD1 3.8Å
75	S	36.2	Very low	39.8	Very low	38 Å²	38	49.8 Å²	49.8	27%	0.266	29%	0.286	S	S	.	.			trans	-126.9	133.4	169.5	-161.5	0	0	0	0	110.3	S77	S75-S77 WeakPolarHBondContact CB-O 3.26Å; S75-S77 PolarHBondContact O-N 3.4Å; S75-S77 PolarHBondContact OG-O 3.36Å
76	Q	37	Very low	38.8	Very low	199 Å²	199	54.6 Å²	54.6	93%	0.93	31%	0.312	S	S	*	.	S	Bend	trans	-75.7	-12.9	177.4	-68.6	-176.2	-6.6	0	0	112.8
77	S	29.4	Very low	37.7	Very low	85 Å²	85	54.9 Å²	54.9	59%	0.594	31%	0.309	S	S	*	.	S	Bend	trans	-147.7	149.7	170.5	70.8	0	0	0	0	107.7	S75	S75-S77 WeakPolarHBondContact CB-O 3.26Å; S75-S77 PolarHBondContact O-N 3.4Å; S75-S77 PolarHBondContact OG-O 3.36Å
78	V	31.5	Very low	36.9	Very low	52 Å²	52	58.2 Å²	58.2	32%	0.315	33%	0.331	S	S	.	.			trans	103.1	129	170.9	-169.3	0	0	0	0	115.1	P80 L125 N126	V78-P80 WeakPolarHBondContact O-CD 3.41Å; V78-L125 HydrophobicContact CG1-CB 4.07Å; V78-N126 HydrophobicContact CG2-CB 4.1Å; V78-N126 WeakPolarHBondContact CG2-ND2 3.5Å
79	V	31.4	Very low	35.9	Very low	82 Å²	82	60.5 Å²	60.5	50%	0.497	35%	0.353	S	S	.	.			trans	-61.3	116.4	176.1	-176.1	0	0	0	0	110.1	A81 L102	V79-A81 PolarHBondContact O-N 2.89Å; V79-L102 HydrophobicContact CG2-CD1 4.03Å
80	P	35.8	Very low	34.9	Very low	31 Å²	31	67.5 Å²	67.5	20%	0.201	39%	0.39	C	S	.	.			trans	-72.6	122.9	166.4	26	-26.4	0	0	0	109.2	V78 W108	V78-P80 WeakPolarHBondContact O-CD 3.41Å; P80-W108 HydrophobicContact CB-CD2 4.34Å; P80-W108 HydrophobicContact CB-CE3 4.4Å; P80-W108 HydrophobicContact CG-CD2 3.46Å; P80-W108 VanDerWaalsContact CG-CD2 3.46Å; P80-W108 HydrophobicContact CG-CE3 3.58Å; P80-W108 HydrophobicContact CG-CG 4.25Å; P80-W108 HydrophobicContact CG-CH2 3.33Å; P80-W108 HydrophobicContact CG-CZ2 3.21Å; P80-W108 HydrophobicContact CG-CZ3 3.53Å
81	A	30.7	Very low	33.8	Very low	34 Å²	34	76.6 Å²	76.6	28%	0.281	43%	0.433	S	S	.	.			trans	-110.8	87.5	166	0	0	0	0	0	107	V79 E83	V79-A81 PolarHBondContact O-N 2.89Å; A81-E83 VanDerWaalsContact C-N 3.28Å; A81-E83 HydrophobicContact CB-CG 4.24Å; A81-E83 PolarHBondContact O-N 3.03Å; A81-E83 VanDerWaalsContact O-N 3.07Å
82	V	34.1	Very low	32.7	Very low	45 Å²	45	81.1 Å²	81.1	27%	0.273	46%	0.46	S	S	.	.			trans	-75.5	91.1	164.6	-178.3	0	0	0	0	105.8
83	E	33.6	Very low	31.8	Very low	122 Å²	122	89.8 Å²	89.8	57%	0.57	50%	0.5	S	S	*	.			trans	-78.9	-23.4	-174.3	-78.8	-176.9	156	0	0	113.8	A81 R123	A81-E83 VanDerWaalsContact C-N 3.28Å; A81-E83 HydrophobicContact CB-CG 4.24Å; A81-E83 PolarHBondContact O-N 3.03Å; A81-E83 VanDerWaalsContact O-N 3.07Å; E83-R123 IonicContact OE2-CZ 2.85Å; E83-R123 IonicContact OE2-NH1 2.56Å; E83-R123 PolarHBondContact OE2-NH1 2.84Å
84	S	30.5	Very low	31	Very low	52 Å²	52	94.9 Å²	94.9	36%	0.364	52%	0.521	S	S	.	.			trans	-170.9	134.3	177.8	49.4	0	0	0	0	113.8	T121	S84-T121 VanDerWaalsContact O-O 3.04Å
85	I	32.3	Very low	30.5	Very low	55 Å²	55	98.4 Å²	98.4	28%	0.282	54%	0.536	S	S	.	.			trans	-87.8	101.1	154.8	-55.8	171.7	0	0	0	104.6	N87 S110 A112	I85-N87 PolarHBondContact O-N 3.3Å; I85-S110 WeakPolarHBondContact CD1-OG 3.15Å; I85-A112 HydrophobicContact CG2-CB 4.39Å
86	N	31.5	Very low	30.1	Very low	105 Å²	105	103.8 Å²	103.8	56%	0.561	55%	0.551	S	S	*	*			trans	-76.3	75.9	176.9	-164.6	11.7	0	0	0	109.5	S88	N86-S88 PolarHBondContact O-N 2.77Å
87	N	30	Very low	29.5	Very low	64 Å²	64	99.7 Å²	99.7	34%	0.342	54%	0.544	S	S	.	.			trans	-75.6	98.9	167.1	-146.4	-10.5	0	0	0	105.4	I85 S89 S116 N118	I85-N87 PolarHBondContact O-N 3.3Å; N87-S89 PolarHBondContact O-N 2.79Å; N87-S116 WeakPolarHBondContact OD1-CB 3.28Å; N87-S116 PolarHBondContact OD1-OG 3.07Å; N87-N118 PolarHBondContact OD1-ND2 3.18Å
88	S	30.7	Very low	29.3	Very low	74 Å²	74	100.1 Å²	100.1	52%	0.517	55%	0.547	S	S	.	.	S	Bend	trans	-69.1	76.2	-167.3	69.5	0	0	0	0	112.8	N86 N118	N86-S88 PolarHBondContact O-N 2.77Å; S88-N118 PolarHBondContact N-ND2 2.9Å; S88-N118 PolarHBondContact OG-ND2 2.98Å; S88-N118 VanDerWaalsContact OG-ND2 3.07Å; S88-N118 PolarHBondContact OG-OD1 3.23Å
89	S	28.4	Very low	29.1	Very low	87 Å²	87	108.9 Å²	108.9	61%	0.608	57%	0.574	S	S	*	*	S	Bend	trans	-175.6	108.6	158.8	60.8	0	0	0	0	108	N87	N87-S89 PolarHBondContact O-N 2.79Å
90	N	29.2	Very low	28.9	Very low	154 Å²	154	113.5 Å²	113.5	82%	0.824	59%	0.59	S	S	*	*	S	Bend	trans	52.6	96.7	162.4	-57.3	-12	0	0	0	117.4
91	E	25.2	Very low	28.5	Very low	194 Å²	194	117.9 Å²	117.9	91%	0.907	62%	0.622	S	S	*	*			trans	54.9	74.3	147.7	-58.8	-172.9	159.8	0	0	117.2
92	V	25.2	Very low	28.6	Very low	108 Å²	108	120.3 Å²	120.3	66%	0.655	63%	0.63	S	S	*	*			trans	-117.9	77.4	152	-172.9	0	0	0	0	108.4	E94	V92-E94 HydrophobicContact CG1-CG 4.01Å; V92-E94 PolarHBondContact O-N 2.88Å
93	Q	24.6	Very low	28.3	Very low	186 Å²	186	121.3 Å²	121.3	87%	0.869	64%	0.642	S	S	*	*			trans	-80.8	72.3	165.1	-117.4	-176.7	-15.6	0	0	107.6	Q95	Q93-Q95 PolarHBondContact O-N 2.91Å; Q93-Q95 VanDerWaalsContact O-N 3.07Å
94	E	26.5	Very low	28.2	Very low	123 Å²	123	119.9 Å²	119.9	58%	0.575	64%	0.644	S	S	*	*			trans	-71.8	105.8	160.8	-75.4	-164.3	163.3	0	0	106.9	V92 W96	V92-E94 HydrophobicContact CG1-CG 4.01Å; V92-E94 PolarHBondContact O-N 2.88Å; E94-W96 VanDerWaalsContact CB-NE1 3.34Å; E94-W96 VanDerWaalsContact O-CD1 3.25Å; E94-W96 PolarHBondContact O-N 3.43Å; E94-W96 PolarHBondContact OE2-NE1 2.96Å
95	Q	25.6	Very low	28.3	Very low	176 Å²	176	125.1 Å²	125.1	82%	0.822	67%	0.668	S	S	*	*			trans	-83.8	88.9	174.8	-172.2	174	-3.8	0	0	107.3	Q93 S97	Q93-Q95 PolarHBondContact O-N 2.91Å; Q93-Q95 VanDerWaalsContact O-N 3.07Å; Q95-S97 PolarHBondContact O-N 2.96Å
96	W	28.1	Very low	28.2	Very low	152 Å²	152	125.4 Å²	125.4	58%	0.576	67%	0.672	S	S	*	*			trans	-67.4	110.2	-178.2	-71.3	56.7	0	0	0	108.4	E94 S98	E94-W96 VanDerWaalsContact CB-NE1 3.34Å; E94-W96 VanDerWaalsContact O-CD1 3.25Å; E94-W96 PolarHBondContact O-N 3.43Å; E94-W96 PolarHBondContact OE2-NE1 2.96Å; W96-S98 PolarHBondContact O-N 3.34Å; W96-S98 VanDerWaalsContact O-N 3.12Å
97	S	24.6	Very low	28.2	Very low	112 Å²	112	125.9 Å²	125.9	78%	0.783	67%	0.671	S	S	*	*			trans	-62.2	116.6	-178.5	-56.7	0	0	0	0	108.4	Q95 R99	Q95-S97 PolarHBondContact O-N 2.96Å; S97-R99 VanDerWaalsContact C-N 3.27Å; S97-R99 PolarHBondContact O-N 2.99Å
98	S	26.7	Very low	28.4	Very low	95 Å²	95	126.2 Å²	126.2	66%	0.664	67%	0.667	S	S	*	*			trans	-53.2	92.4	170.1	51.8	0	0	0	0	108.7	W96 E100	W96-S98 PolarHBondContact O-N 3.34Å; W96-S98 VanDerWaalsContact O-N 3.12Å; S98-E100 VanDerWaalsContact C-N 3.26Å; S98-E100 PolarHBondContact O-N 3.08Å
99	R	25.8	Very low	28.6	Very low	236 Å²	236	125 Å²	125	89%	0.891	66%	0.659	S	S	*	*			trans	-73.2	94.1	175.4	-146.6	178.2	-172.6	-169.6	2.1	106.1	S97	S97-R99 VanDerWaalsContact C-N 3.27Å; S97-R99 PolarHBondContact O-N 2.99Å
100	E	27.2	Very low	29	Very low	178 Å²	178	121.9 Å²	121.9	83%	0.832	64%	0.637	S	S	*	*	S	Bend	trans	-47.8	138.9	169.2	-63.4	178.3	146.4	0	0	109.1	S98	S98-E100 VanDerWaalsContact C-N 3.26Å; S98-E100 PolarHBondContact O-N 3.08Å
101	S	27.3	Very low	29.3	Very low	124 Å²	124	117.1 Å²	117.1	87%	0.867	61%	0.613	S	S	*	*			trans	91.6	81.2	-178	-150.9	0	0	0	0	115.4
102	L	32.5	Very low	29.9	Very low	85 Å²	85	108.2 Å²	108.2	45%	0.445	57%	0.573	S	S	.	*			trans	-84.4	107.1	179	-76.5	156.2	0	0	0	111.1	V79 W108	V79-L102 HydrophobicContact CG2-CD1 4.03Å; L102-W108 HydrophobicContact CD2-CH2 3.49Å; L102-W108 VanDerWaalsContact CD2-CH2 3.49Å; L102-W108 HydrophobicContact CD2-CZ2 3.68Å
103	A	28.1	Very low	30.4	Very low	65 Å²	65	107.9 Å²	107.9	54%	0.537	57%	0.568	S	S	.	*			trans	-70.8	140.5	151.2	0	0	0	0	0	108.2
104	P	31.8	Very low	31	Very low	93 Å²	93	100.8 Å²	100.8	60%	0.604	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	143.4	161.8	26.9	-31.2	0	0	0	107.4
105	D	32	Very low	31.3	Very low	162 Å²	162	102.8 Å²	102.8	87%	0.866	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	93.1	18.9	-178.7	-43.3	-33.9	0	0	0	117.3	H107	D105-H107 PolarHBondContact O-N 2.79Å; D105-H107 VanDerWaalsContact O-N 3.14Å
106	V	30.5	Very low	31.7	Very low	61 Å²	61	95.4 Å²	95.4	37%	0.37	52%	0.524	S	S	.	.			trans	-72	111.8	165.6	-176.5	0	0	0	0	109.2	W108	V106-W108 HydrophobicContact CB-CD2 4.27Å; V106-W108 HydrophobicContact CB-CE3 4.23Å; V106-W108 HydrophobicContact CB-CH2 3.53Å; V106-W108 HydrophobicContact CB-CZ2 3.54Å; V106-W108 HydrophobicContact CB-CZ3 3.87Å; V106-W108 HydrophobicContact CG1-CD2 3.76Å; V106-W108 HydrophobicContact CG1-CE3 4.21Å; V106-W108 HydrophobicContact CG1-CG 4.35Å; V106-W108 HydrophobicContact CG1-CH2 3.93Å; V106-W108 HydrophobicContact CG1-CZ2 3.41Å; V106-W108 VanDerWaalsContact CG1-CZ2 3.41Å; V106-W108 HydrophobicContact CG1-CZ3 4.28Å; V106-W108 HydrophobicContact CG2-CH2 4.34Å; V106-W108 HydrophobicContact CG2-CZ2 4.27Å; V106-W108 WeakPolarHBondContact O-CZ3 3.14Å; V106-W108 PolarHBondContact O-N 3.07Å
107	H	32.7	Very low	31.9	Very low	114 Å²	114	97.6 Å²	97.6	53%	0.528	54%	0.54	S	S	.	.			trans	-81.5	106.1	173.2	-174.7	-100	0	0	0	108.9	D105	D105-H107 PolarHBondContact O-N 2.79Å; D105-H107 VanDerWaalsContact O-N 3.14Å
108	W	33	Very low	32.4	Very low	71 Å²	71	94 Å²	94	27%	0.269	51%	0.512	S	S	.	.			trans	-91.5	125.7	172.3	-67.2	-82.3	0	0	0	109.7	V71 A72 P80 L102 V106	V71-W108 VanDerWaalsContact O-O 3.08Å; A72-W108 VanDerWaalsContact CA-O 3.26Å; A72-W108 WeakPolarHBondContact CA-O 3.49Å; P80-W108 HydrophobicContact CB-CD2 4.34Å; P80-W108 HydrophobicContact CB-CE3 4.4Å; P80-W108 HydrophobicContact CG-CD2 3.46Å; P80-W108 VanDerWaalsContact CG-CD2 3.46Å; P80-W108 HydrophobicContact CG-CE3 3.58Å; P80-W108 HydrophobicContact CG-CG 4.25Å; P80-W108 HydrophobicContact CG-CH2 3.33Å; P80-W108 HydrophobicContact CG-CZ2 3.21Å; P80-W108 HydrophobicContact CG-CZ3 3.53Å; L102-W108 HydrophobicContact CD2-CH2 3.49Å; L102-W108 VanDerWaalsContact CD2-CH2 3.49Å; L102-W108 HydrophobicContact CD2-CZ2 3.68Å; V106-W108 HydrophobicContact CB-CD2 4.27Å; V106-W108 HydrophobicContact CB-CE3 4.23Å; V106-W108 HydrophobicContact CB-CH2 3.53Å; V106-W108 HydrophobicContact CB-CZ2 3.54Å; V106-W108 HydrophobicContact CB-CZ3 3.87Å; V106-W108 HydrophobicContact CG1-CD2 3.76Å; V106-W108 HydrophobicContact CG1-CE3 4.21Å; V106-W108 HydrophobicContact CG1-CG 4.35Å; V106-W108 HydrophobicContact CG1-CH2 3.93Å; V106-W108 HydrophobicContact CG1-CZ2 3.41Å; V106-W108 VanDerWaalsContact CG1-CZ2 3.41Å; V106-W108 HydrophobicContact CG1-CZ3 4.28Å; V106-W108 HydrophobicContact CG2-CH2 4.34Å; V106-W108 HydrophobicContact CG2-CZ2 4.27Å; V106-W108 WeakPolarHBondContact O-CZ3 3.14Å; V106-W108 PolarHBondContact O-N 3.07Å
109	S	34.9	Very low	32.9	Very low	50 Å²	50	91.3 Å²	91.3	35%	0.35	50%	0.495	S	S	.	.			trans	-115.3	119.7	172	58.8	0	0	0	0	109.2
110	S	36.5	Very low	33.5	Very low	20 Å²	20	80.4 Å²	80.4	14%	0.14	46%	0.456	C	S	.	.			trans	-95.4	147.8	163.7	177.2	0	0	0	0	108.4	S70 I85	S70-S110 WeakPolarHBondContact CA-O 3.36Å; S70-S110 VanDerWaalsContact CB-O 3.3Å; S70-S110 WeakPolarHBondContact CB-O 3.49Å; S70-S110 PolarHBondContact OG-O 2.9Å; I85-S110 WeakPolarHBondContact CD1-OG 3.15Å
111	T	35.7	Very low	34	Very low	54 Å²	54	73.6 Å²	73.6	33%	0.331	43%	0.426	S	S	.	.			trans	-125.5	120.9	171.7	54.8	0	0	0	0	107.7	F26 S70	F26-T111 HydrophobicContact CD1-CG2 4.27Å; F26-T111 HydrophobicContact CE1-CG2 3.59Å; F26-T111 HydrophobicContact CZ-CG2 3.98Å; S70-T111 WeakPolarHBondContact OG-CG2 2.82Å
112	A	38.5	Very low	34.6	Very low	8 Å²	8	68.3 Å²	68.3	7%	0.066	39%	0.389	C	S	.	.	B	Isolated β-bridge	trans	-106.3	131.9	169.4	0	0	0	0	0	109.2	L69 I85 C120	L69-A112 PolarHBondContact O-N 3.42Å; I85-A112 HydrophobicContact CG2-CB 4.39Å; A112-C120 WeakPolarHBondContact CB-SG 3.3Å
113	D	35.1	Very low	34.8	Very low	100 Å²	100	69.6 Å²	69.6	54%	0.535	39%	0.388	S	S	.	.			trans	-80.9	133.3	175.6	-73.5	-34.2	0	0	0	111.4	D115 S116	D113-D115 PolarHBondContact O-N 3.23Å; D113-S116 PolarHBondContact O-N 2.99Å; D113-S116 PolarHBondContact O-OG 3.24Å; D113-S116 VanDerWaalsContact O-OG 3.08Å
114	A	37.4	Very low	35.3	Very low	38 Å²	38	66.8 Å²	66.8	31%	0.314	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-28.1	-174.6	0	0	0	0	0	115.7	G67 S116	G67-A114 WeakPolarHBondContact O-CB 3.32Å; G67-A114 PolarHBondContact O-N 3.29Å; A114-S116 PolarHBondContact O-N 2.96Å
115	D	33.9	Very low	35.6	Very low	165 Å²	165	67.8 Å²	67.8	88%	0.882	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-15.6	-173	-71.3	-19.6	0	0	0	111.9	D113	D113-D115 PolarHBondContact O-N 3.23Å
116	S	33.3	Very low	35.9	Very low	21 Å²	21	64.1 Å²	64.1	15%	0.147	34%	0.344	C	S	.	.			trans	-88.6	117.8	171.3	78.6	0	0	0	0	110.3	N87 D113 A114 N118	N87-S116 WeakPolarHBondContact OD1-CB 3.28Å; N87-S116 PolarHBondContact OD1-OG 3.07Å; D113-S116 PolarHBondContact O-N 2.99Å; D113-S116 PolarHBondContact O-OG 3.24Å; D113-S116 VanDerWaalsContact O-OG 3.08Å; A114-S116 PolarHBondContact O-N 2.96Å; S116-N118 WeakPolarHBondContact CB-ND2 3.42Å; S116-N118 PolarHBondContact O-N 3.32Å
117	Q	33.1	Very low	36.3	Very low	198 Å²	198	68 Å²	68	93%	0.925	36%	0.358	S	S	*	.			trans	-66.4	24.6	163.3	-64.8	-173.7	-4.9	0	0	112.1
118	N	34.9	Very low	36.7	Very low	37 Å²	37	63 Å²	63	20%	0.198	34%	0.335	C	S	.	.			trans	-102.1	127.4	-163.4	-64.2	-23.4	0	0	0	110.2	N87 S88 S116 C120	N87-N118 PolarHBondContact OD1-ND2 3.18Å; S88-N118 PolarHBondContact N-ND2 2.9Å; S88-N118 PolarHBondContact OG-ND2 2.98Å; S88-N118 VanDerWaalsContact OG-ND2 3.07Å; S88-N118 PolarHBondContact OG-OD1 3.23Å; S116-N118 WeakPolarHBondContact CB-ND2 3.42Å; S116-N118 PolarHBondContact O-N 3.32Å; N118-C120 PolarHBondContact O-N 2.81Å
119	A	36.3	Very low	37.1	Very low	37 Å²	37	65.9 Å²	65.9	31%	0.306	35%	0.346	S	S	.	.			trans	-57.5	123.1	175	0	0	0	0	0	111	V61 L62	V61-A119 CarbonylContact O-C 3.55Å; V61-A119 VanDerWaalsContact O-C 3.22Å; V61-A119 WeakPolarHBondContact O-CA 3.28Å; V61-A119 WeakPolarHBondContact O-CB 3.45Å; L62-A119 WeakPolarHBondContact O-CB 3.32Å
120	C	39.9	Very low	37.4	Very low	8 Å²	8	63.7 Å²	63.7	5%	0.054	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	110	172.9	-63.9	0	0	0	0	109.8	V61 C64 A112 N118 V122	V61-C120 VanDerWaalsContact CA-O 3.27Å; V61-C120 WeakPolarHBondContact CA-O 3.28Å; V61-C120 HydrophobicContact CB-CB 4.03Å; V61-C120 WeakPolarHBondContact CB-O 3.5Å; V61-C120 HydrophobicContact CG2-CB 4.32Å; V61-C120 VanDerWaalsContact CG2-O 3.3Å; V61-C120 WeakPolarHBondContact CG2-O 3.33Å; V61-C120 PolarHBondContact N-O 3.13Å; V61-C120 PolarHBondContact O-N 3.13Å; C64-C120 VanDerWaalsContact SG-SG 3.7Å; A112-C120 WeakPolarHBondContact CB-SG 3.3Å; N118-C120 PolarHBondContact O-N 2.81Å; C120-V122 PolarHBondContact O-N 3.43Å
121	T	36.6	Very low	37.5	Very low	34 Å²	34	64.9 Å²	64.9	21%	0.209	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	109.2	177.1	-63.5	0	0	0	0	110.7	E60 S84 R123	E60-T121 HydrophobicContact CG-CG2 3.93Å; S84-T121 VanDerWaalsContact O-O 3.04Å; T121-R123 HydrophobicContact CG2-CG 4.01Å; T121-R123 PolarHBondContact O-N 3.06Å
122	V	40.7	Very low	37.9	Very low	14 Å²	14	62.6 Å²	62.6	9%	0.085	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	86.8	177.8	-177.2	0	0	0	0	110.1	L59 V61 V71 C120 S124	L59-V122 CarbonylContact C-O 2.98Å; L59-V122 WeakPolarHBondContact CA-O 3.23Å; L59-V122 WeakPolarHBondContact CB-O 3.22Å; L59-V122 PolarHBondContact N-O 2.75Å; L59-V122 CarbonylContact O-C 3.22Å; L59-V122 WeakPolarHBondContact O-CA 3.49Å; L59-V122 PolarHBondContact O-N 3.43Å; V61-V122 HydrophobicContact CG2-CG2 4.12Å; V71-V122 HydrophobicContact CB-CG2 4.46Å; V71-V122 HydrophobicContact CG1-CG1 4.22Å; V71-V122 HydrophobicContact CG2-CG2 4.23Å; C120-V122 PolarHBondContact O-N 3.43Å; V122-S124 PolarHBondContact O-N 2.95Å; V122-S124 VanDerWaalsContact O-N 3.12Å
123	R	35.5	Very low	38.1	Very low	112 Å²	112	63.2 Å²	63.2	42%	0.423	32%	0.323	S	S	.	.			trans	-63	121.4	178.1	-60	-165.3	171	162.9	-1.7	110.7	P58 E83 T121	P58-R123 HydrophobicContact CB-CB 3.86Å; P58-R123 HydrophobicContact CB-CG 3.64Å; P58-R123 HydrophobicContact CG-CG 4.41Å; E83-R123 IonicContact OE2-CZ 2.85Å; E83-R123 IonicContact OE2-NH1 2.56Å; E83-R123 PolarHBondContact OE2-NH1 2.84Å; T121-R123 HydrophobicContact CG2-CG 4.01Å; T121-R123 PolarHBondContact O-N 3.06Å
124	S	38.5	Very low	38.7	Very low	5 Å²	5	58.5 Å²	58.5	4%	0.035	30%	0.298	C	S	.	.			trans	-132.4	127.5	176.7	162.6	0	0	0	0	107.4	V122 I128 F130	V122-S124 PolarHBondContact O-N 2.95Å; V122-S124 VanDerWaalsContact O-N 3.12Å; S124-I128 WeakPolarHBondContact OG-CD1 3.27Å; S124-I128 WeakPolarHBondContact OG-CG1 3.05Å; S124-F130 VanDerWaalsContact OG-CZ 3.29Å; S124-F130 WeakPolarHBondContact OG-CZ 3.24Å
125	L	37.9	Very low	38.9	Very low	114 Å²	114	57.4 Å²	57.4	60%	0.597	29%	0.286	S	S	*	.			trans	-87.4	-7.2	-165.3	-72.7	170.8	0	0	0	114.1	V78	V78-L125 HydrophobicContact CG1-CB 4.07Å
126	N	40	Very low	39.5	Very low	86 Å²	86	51.8 Å²	51.8	46%	0.46	25%	0.254	S	S	.	.	S	Bend	trans	-155.9	-166.6	-174.8	-84	-46.2	0	0	0	114.8	V78 I128 K148	V78-N126 HydrophobicContact CG2-CB 4.1Å; V78-N126 WeakPolarHBondContact CG2-ND2 3.5Å; N126-I128 WeakPolarHBondContact O-CG1 3.42Å; N126-I128 PolarHBondContact O-N 2.94Å; N126-K148 PolarHBondContact O-NZ 3.26Å
127	E	37.7	Very low	39.7	Very low	141 Å²	141	55 Å²	55	66%	0.659	27%	0.265	S	S	*	.	S	Bend	trans	-59.7	67.1	178.5	-64.1	-177.7	159.3	0	0	112.8
128	I	41.1	Very low	39.9	Very low	9 Å²	9	47.7 Å²	47.7	5%	0.046	24%	0.243	C	C	.	.			trans	-92.8	130.4	-176.2	-59.8	-155.5	0	0	0	110.1	A73 S124 N126 F130	A73-I128 HydrophobicContact CB-CD1 3.99Å; A73-I128 HydrophobicContact CB-CG2 3.53Å; S124-I128 WeakPolarHBondContact OG-CD1 3.27Å; S124-I128 WeakPolarHBondContact OG-CG1 3.05Å; N126-I128 WeakPolarHBondContact O-CG1 3.42Å; N126-I128 PolarHBondContact O-N 2.94Å; I128-F130 HydrophobicContact CB-CD2 4.36Å; I128-F130 HydrophobicContact CB-CE1 4.28Å; I128-F130 HydrophobicContact CB-CE2 3.87Å; I128-F130 HydrophobicContact CB-CZ 3.85Å; I128-F130 HydrophobicContact CG2-CD1 3.92Å; I128-F130 HydrophobicContact CG2-CD2 4.13Å; I128-F130 HydrophobicContact CG2-CE1 3.82Å; I128-F130 HydrophobicContact CG2-CE2 4.03Å; I128-F130 HydrophobicContact CG2-CG 4.1Å; I128-F130 HydrophobicContact CG2-CZ 3.9Å; I128-F130 VanDerWaalsContact O-CD2 3.3Å; I128-F130 WeakPolarHBondContact O-CD2 3.2Å; I128-F130 WeakPolarHBondContact O-CE2 3.06Å
129	R	40.8	Very low	39.9	Very low	133 Å²	133	55.8 Å²	55.8	50%	0.502	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	114.2	159.3	-72.2	178.3	175.2	170.1	2	107.5	L48 E50 M74	L48-R129 HydrophobicContact CD1-CB 4.34Å; E50-R129 HydrophobicContact CG-CG 4.15Å; E50-R129 IonicContact OE1-CZ 2.85Å; E50-R129 IonicContact OE1-NE 2.67Å; E50-R129 PolarHBondContact OE1-NE 3.42Å; E50-R129 IonicContact OE1-NH2 3.72Å; E50-R129 PolarHBondContact OE1-NH2 2.87Å; M74-R129 PolarHBondContact N-O 2.86Å; M74-R129 VanDerWaalsContact N-O 3.07Å
130	F	41.8	Very low	40.2	Very low	3 Å²	3	55.9 Å²	55.9	1%	0.013	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	126.1	176.2	-62.1	-89.6	0	0	0	109.1	L48 I49 F51 L59 V71 A73 S124 I128	L48-F130 WeakPolarHBondContact CA-O 3.28Å; L48-F130 WeakPolarHBondContact CD1-O 3.46Å; I49-F130 PolarHBondContact N-O 2.85Å; I49-F130 PolarHBondContact O-N 3.45Å; F51-F130 HydrophobicContact CD2-CD2 4.3Å; F51-F130 HydrophobicContact CD2-CE2 4.46Å; L59-F130 HydrophobicContact CB-CE1 4.13Å; L59-F130 HydrophobicContact CB-CE2 4.18Å; L59-F130 HydrophobicContact CB-CZ 3.66Å; L59-F130 HydrophobicContact CD2-CB 4.5Å; L59-F130 HydrophobicContact CD2-CD1 3.6Å; L59-F130 HydrophobicContact CD2-CD2 3.89Å; L59-F130 HydrophobicContact CD2-CE1 3.54Å; L59-F130 HydrophobicContact CD2-CE2 3.85Å; L59-F130 HydrophobicContact CD2-CG 3.73Å; L59-F130 HydrophobicContact CD2-CZ 3.64Å; L59-F130 HydrophobicContact CG-CE1 4.47Å; L59-F130 HydrophobicContact CG-CE2 4.44Å; L59-F130 HydrophobicContact CG-CZ 4.21Å; V71-F130 HydrophobicContact CG1-CB 4.49Å; V71-F130 HydrophobicContact CG1-CD1 3.72Å; V71-F130 HydrophobicContact CG1-CE1 4.49Å; A73-F130 HydrophobicContact CB-CD1 4.47Å; A73-F130 HydrophobicContact CB-CE1 4.49Å; S124-F130 VanDerWaalsContact OG-CZ 3.29Å; S124-F130 WeakPolarHBondContact OG-CZ 3.24Å; I128-F130 HydrophobicContact CB-CD2 4.36Å; I128-F130 HydrophobicContact CB-CE1 4.28Å; I128-F130 HydrophobicContact CB-CE2 3.87Å; I128-F130 HydrophobicContact CB-CZ 3.85Å; I128-F130 HydrophobicContact CG2-CD1 3.92Å; I128-F130 HydrophobicContact CG2-CD2 4.13Å; I128-F130 HydrophobicContact CG2-CE1 3.82Å; I128-F130 HydrophobicContact CG2-CE2 4.03Å; I128-F130 HydrophobicContact CG2-CG 4.1Å; I128-F130 HydrophobicContact CG2-CZ 3.9Å; I128-F130 VanDerWaalsContact O-CD2 3.3Å; I128-F130 WeakPolarHBondContact O-CD2 3.2Å; I128-F130 WeakPolarHBondContact O-CE2 3.06Å
131	I	39.6	Very low	40.8	Very low	46 Å²	46	61.4 Å²	61.4	24%	0.236	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	109.6	159.2	-60.2	173.5	0	0	0	105.5	L48 A72 M74 L133	L48-I131 HydrophobicContact CD1-CB 4.47Å; L48-I131 HydrophobicContact CD1-CD1 4.29Å; L48-I131 HydrophobicContact CD1-CG1 3.37Å; A72-I131 PolarHBondContact N-O 2.73Å; A72-I131 PolarHBondContact O-N 2.74Å; M74-I131 HydrophobicContact CE-CD1 3.3Å; M74-I131 HydrophobicContact CE-CG1 3.82Å; M74-I131 HydrophobicContact SD-CD1 3.8Å; I131-L133 HydrophobicContact CG2-CD2 3.51Å; I131-L133 HydrophobicContact CG2-CG 3.78Å
132	A	44	Very low	41.7	Very low	5 Å²	5	60.4 Å²	60.4	4%	0.041	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	111	167.3	0	0	0	0	0	107.5	L47 L69 F134	L47-A132 PolarHBondContact N-O 3.47Å; L47-A132 PolarHBondContact O-N 3.35Å; L69-A132 HydrophobicContact CD1-CB 3.98Å; A132-F134 HydrophobicContact CB-CD2 4.34Å; A132-F134 HydrophobicContact CB-CE2 3.4Å; A132-F134 HydrophobicContact CB-CZ 3.64Å; A132-F134 WeakPolarHBondContact O-CD2 3.26Å
133	L	42.3	Very low	42.5	Very low	21 Å²	21	63 Å²	63	11%	0.11	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	127.6	173.4	-57.8	171.1	0	0	0	107.1	L25 S70 I131	L25-L133 HydrophobicContact CD1-CD1 3.63Å; L25-L133 HydrophobicContact CD2-CD1 3.57Å; L25-L133 HydrophobicContact CG-CD1 4.24Å; S70-L133 PolarHBondContact N-O 3.47Å; S70-L133 PolarHBondContact O-N 2.75Å; I131-L133 HydrophobicContact CG2-CD2 3.51Å; I131-L133 HydrophobicContact CG2-CG 3.78Å
134	F	47.1	Very low	43.8	Very low	2 Å²	2	57.7 Å²	57.7	1%	0.009	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	123.5	-178.9	-65.3	-86.9	0	0	0	110.1	V45 L47 P65 L69 A132 F136 L144	V45-F134 PolarHBondContact N-O 3.02Å; V45-F134 PolarHBondContact O-N 3.48Å; L47-F134 HydrophobicContact CB-CE2 4.16Å; L47-F134 HydrophobicContact CD2-CE2 4.47Å; P65-F134 HydrophobicContact CG-CD1 3.51Å; P65-F134 HydrophobicContact CG-CE1 3.67Å; L69-F134 HydrophobicContact CB-CD1 4.2Å; L69-F134 HydrophobicContact CB-CE1 4Å; L69-F134 HydrophobicContact CD1-CD1 3.7Å; L69-F134 HydrophobicContact CD1-CE1 3.12Å; L69-F134 HydrophobicContact CD1-CE2 4.13Å; L69-F134 HydrophobicContact CD1-CG 4.39Å; L69-F134 HydrophobicContact CD1-CZ 3.33Å; L69-F134 HydrophobicContact CD2-CE1 4.05Å; L69-F134 HydrophobicContact CD2-CZ 4.5Å; L69-F134 HydrophobicContact CG-CD1 4.45Å; L69-F134 HydrophobicContact CG-CE1 3.87Å; L69-F134 HydrophobicContact CG-CZ 4.42Å; A132-F134 HydrophobicContact CB-CD2 4.34Å; A132-F134 HydrophobicContact CB-CE2 3.4Å; A132-F134 HydrophobicContact CB-CZ 3.64Å; A132-F134 WeakPolarHBondContact O-CD2 3.26Å; F134-F136 HydrophobicContact CB-CD1 4.42Å; F134-F136 HydrophobicContact CB-CD2 3.9Å; F134-F136 HydrophobicContact CB-CE1 3.88Å; F134-F136 HydrophobicContact CB-CE2 3.33Å; F134-F136 HydrophobicContact CB-CG 4.4Å; F134-F136 HydrophobicContact CB-CZ 3.3Å; F134-F136 HydrophobicContact CD1-CE1 4.31Å; F134-F136 HydrophobicContact CD1-CZ 4.13Å; F134-F136 HydrophobicContact CD2-CZ 4.26Å; F134-F136 HydrophobicContact CG-CE1 4.24Å; F134-F136 HydrophobicContact CG-CE2 4.12Å; F134-F136 AromaticContact CG-CZ 3.65Å; F134-F136 HydrophobicContact CG-CZ 3.65Å; F134-L144 HydrophobicContact CE1-CD1 3.71Å; F134-L144 HydrophobicContact CE1-CD2 4.08Å; F134-L144 HydrophobicContact CE1-CG 4.33Å; F134-L144 HydrophobicContact CE2-CD2 3.82Å; F134-L144 HydrophobicContact CZ-CD1 3.63Å; F134-L144 HydrophobicContact CZ-CD2 3.23Å; F134-L144 HydrophobicContact CZ-CG 3.93Å
135	D	42.6	Very low	44.7	Very low	14 Å²	14	58.2 Å²	58.2	8%	0.075	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	104.1	164	-68.7	-2.6	0	0	0	107.3	F26 G67 R68 F137	F26-D135 WeakPolarHBondContact CD2-OD2 3.28Å; F26-D135 WeakPolarHBondContact CE2-OD2 3.36Å; G67-D135 CarbonylContact C-O 3.57Å; G67-D135 VanDerWaalsContact CA-O 3.32Å; G67-D135 WeakPolarHBondContact CA-O 3.31Å; R68-D135 HydrophobicContact CB-CB 4.25Å; R68-D135 PolarHBondContact N-O 3.28Å; R68-D135 PolarHBondContact O-N 2.81Å; D135-F137 HydrophobicContact CB-CD2 4.4Å; D135-F137 HydrophobicContact CB-CE2 3.74Å; D135-F137 HydrophobicContact CB-CZ 4.5Å; D135-F137 WeakPolarHBondContact O-CD2 3.03Å; D135-F137 PolarHBondContact O-N 2.85Å
136	F	45	Very low	46	Very low	48 Å²	48	53 Å²	53	21%	0.211	27%	0.271	C	S	.	.			trans	-86.1	107.2	-175.2	-75.7	-62.7	0	0	0	111.1	V45 P65 F134 L157 R159	V45-F136 HydrophobicContact CB-CE2 4.15Å; P65-F136 HydrophobicContact CB-CD1 4.27Å; P65-F136 HydrophobicContact CB-CE1 3.64Å; P65-F136 HydrophobicContact CG-CD1 4.48Å; P65-F136 HydrophobicContact CG-CE1 3.67Å; P65-F136 HydrophobicContact CG-CZ 4.45Å; F134-F136 HydrophobicContact CB-CD1 4.42Å; F134-F136 HydrophobicContact CB-CD2 3.9Å; F134-F136 HydrophobicContact CB-CE1 3.88Å; F134-F136 HydrophobicContact CB-CE2 3.33Å; F134-F136 HydrophobicContact CB-CG 4.4Å; F134-F136 HydrophobicContact CB-CZ 3.3Å; F134-F136 HydrophobicContact CD1-CE1 4.31Å; F134-F136 HydrophobicContact CD1-CZ 4.13Å; F134-F136 HydrophobicContact CD2-CZ 4.26Å; F134-F136 HydrophobicContact CG-CE1 4.24Å; F134-F136 HydrophobicContact CG-CE2 4.12Å; F134-F136 AromaticContact CG-CZ 3.65Å; F134-F136 HydrophobicContact CG-CZ 3.65Å; F136-L157 HydrophobicContact CE1-CB 4.41Å; F136-L157 HydrophobicContact CE1-CD1 3.57Å; F136-L157 HydrophobicContact CE1-CG 4.38Å; F136-L157 HydrophobicContact CE2-CD2 4.42Å; F136-L157 HydrophobicContact CZ-CB 4.34Å; F136-L157 HydrophobicContact CZ-CD1 3.47Å; F136-L157 VanDerWaalsContact CZ-CD1 3.47Å; F136-L157 HydrophobicContact CZ-CD2 3.76Å; F136-L157 HydrophobicContact CZ-CG 4.03Å; F136-R159 PolarHBondContact O-NH1 2.77Å
137	F	38.9	Very low	46.9	Very low	87 Å²	87	53.4 Å²	53.4	38%	0.382	27%	0.266	S	S	.	.			trans	-99.3	126.3	171	-62.4	-96.4	0	0	0	108.6	F42 S66 R68 D135 R159	F42-F137 HydrophobicContact CD1-CE1 4.12Å; F42-F137 HydrophobicContact CD1-CZ 4.2Å; F42-F137 HydrophobicContact CE1-CD1 4.15Å; F42-F137 AromaticContact CE1-CE1 3.35Å; F42-F137 HydrophobicContact CE1-CE1 3.35Å; F42-F137 AromaticContact CE1-CZ 3.78Å; F42-F137 HydrophobicContact CE1-CZ 3.78Å; F42-F137 HydrophobicContact CZ-CE1 4.2Å; S66-F137 VanDerWaalsContact O-O 3.11Å; R68-F137 HydrophobicContact CB-CE2 4.44Å; R68-F137 HydrophobicContact CG-CD2 4.42Å; R68-F137 HydrophobicContact CG-CE2 3.9Å; D135-F137 HydrophobicContact CB-CD2 4.4Å; D135-F137 HydrophobicContact CB-CE2 3.74Å; D135-F137 HydrophobicContact CB-CZ 4.5Å; D135-F137 WeakPolarHBondContact O-CD2 3.03Å; D135-F137 PolarHBondContact O-N 2.85Å; F137-R159 PolarHBondContact O-NH2 2.85Å
138	G	35.9	Very low	48	Very low	45 Å²	45	46.7 Å²	46.7	46%	0.464	24%	0.235	S	C	.	.	S	Bend	trans	112.7	-170.8	170.1	0	0	0	0	0	119.4	R159	G138-R159 PolarHBondContact O-NH1 3.19Å
139	F	36.6	Very low	49.2	Very low	208 Å²	208	50.7 Å²	50.7	91%	0.912	26%	0.256	S	S	*	.	S	Bend	trans	-123.2	129.2	-175.8	-60.6	-83.7	0	0	0	109.3
140	G	41.3	Very low	50.4	Low	39 Å²	39	55.1 Å²	55.1	40%	0.402	27%	0.273	S	S	.	.	S	Bend	trans	156.2	177	177.9	0	0	0	0	0	116.4
141	N	53.4	Low	51.2	Low	123 Å²	123	56.6 Å²	56.6	66%	0.658	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.6	92.1	164.7	-71	-51.1	0	0	0	107.8
142	D	55.3	Low	52.2	Low	14 Å²	14	58 Å²	58	8%	0.075	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	148.5	177.6	-71.8	-46.4	0	0	0	110.6	P65 S66 L157 R159	P65-D142 HydrophobicContact CB-CB 3.49Å; P65-D142 VanDerWaalsContact CB-CB 3.49Å; S66-D142 VanDerWaalsContact CB-OD1 3.28Å; S66-D142 WeakPolarHBondContact CB-OD1 3.16Å; S66-D142 PolarHBondContact N-OD1 2.56Å; S66-D142 VanDerWaalsContact N-OD1 3.13Å; S66-D142 PolarHBondContact OG-OD1 2.93Å; D142-L157 HydrophobicContact CB-CB 4.43Å; D142-L157 PolarHBondContact O-N 3.24Å; D142-R159 IonicContact OD2-CZ 3.64Å; D142-R159 IonicContact OD2-NE 3.37Å; D142-R159 PolarHBondContact OD2-NE 3.3Å; D142-R159 IonicContact OD2-NH2 2.93Å; D142-R159 PolarHBondContact OD2-NH2 2.85Å
143	Q	58.6	Low	52.9	Low	69 Å²	69	61.6 Å²	61.6	32%	0.322	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	128.5	179.7	-69.8	-178.1	11.2	0	0	109.6	C64 L154 F155 V156	C64-Q143 CarbonylContact C-O 3.52Å; Q143-L154 HydrophobicContact CB-CD1 3.86Å; Q143-L154 HydrophobicContact CG-CD1 4.12Å; Q143-F155 WeakPolarHBondContact CA-O 3.47Å; Q143-V156 HydrophobicContact CG-CG2 4.4Å
144	L	61.3	Low	53.5	Low	0 Å²	0	64.9 Å²	64.9	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	115.9	167	173	76.1	0	0	0	108.2	L47 I49 V61 Q63 L69 F134 L146 F155 L157	L47-L144 HydrophobicContact CD2-CD2 4.07Å; I49-L144 HydrophobicContact CD1-CD2 4.29Å; V61-L144 HydrophobicContact CG1-CD1 3.65Å; Q63-L144 WeakPolarHBondContact O-CA 3.48Å; L69-L144 HydrophobicContact CD2-CD1 4.27Å; F134-L144 HydrophobicContact CE1-CD1 3.71Å; F134-L144 HydrophobicContact CE1-CD2 4.08Å; F134-L144 HydrophobicContact CE1-CG 4.33Å; F134-L144 HydrophobicContact CE2-CD2 3.82Å; F134-L144 HydrophobicContact CZ-CD1 3.63Å; F134-L144 HydrophobicContact CZ-CD2 3.23Å; F134-L144 HydrophobicContact CZ-CG 3.93Å; L144-L146 HydrophobicContact CD1-CD2 3.92Å; L144-L146 HydrophobicContact CD1-CG 4.41Å; L144-L146 HydrophobicContact CD2-CD1 4.22Å; L144-L146 HydrophobicContact CD2-CD2 4.43Å; L144-L146 HydrophobicContact CD2-CG 4.16Å; L144-L146 HydrophobicContact CG-CD2 4.15Å; L144-L146 HydrophobicContact CG-CG 4.09Å; L144-F155 HydrophobicContact CB-CB 4.19Å; L144-F155 HydrophobicContact CD2-CB 4.42Å; L144-F155 HydrophobicContact CD2-CD2 3.9Å; L144-F155 HydrophobicContact CD2-CG 4.41Å; L144-F155 HydrophobicContact CG-CD2 4.39Å; L144-F155 PolarHBondContact N-O 2.81Å; L144-F155 PolarHBondContact O-N 3.49Å; L144-L157 HydrophobicContact CB-CD1 3.98Å
145	T	58.3	Low	53.8	Low	16 Å²	16	66 Å²	66	10%	0.098	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	121	173.8	-56.5	0	0	0	0	109.3	V61 L62 Q63 V152 R153 L154	V61-T145 CarbonylContact C-O 3.54Å; V61-T145 WeakPolarHBondContact CA-O 3.48Å; L62-T145 HydrophobicContact CB-CG2 3.88Å; L62-T145 HydrophobicContact CD1-CG2 3.95Å; L62-T145 HydrophobicContact CG-CG2 4.31Å; L62-T145 PolarHBondContact N-O 2.82Å; Q63-T145 PolarHBondContact N-O 2.7Å; Q63-T145 PolarHBondContact O-N 3.25Å; Q63-T145 PolarHBondContact OE1-OG1 3.03Å; T145-V152 HydrophobicContact CG2-CG1 3.65Å; T145-R153 CarbonylContact C-O 3.51Å; T145-R153 VanDerWaalsContact CA-O 3.31Å; T145-R153 WeakPolarHBondContact CA-O 3.15Å; T145-L154 WeakPolarHBondContact OG1-CD1 3.38Å
146	L	63.9	Low	54.2	Low	5 Å²	5	67.1 Å²	67.1	3%	0.026	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	142.9	175.6	-60.8	-174.5	0	0	0	110.8	I49 F51 L59 E60 V61 L144 V152 R153 F155	I49-L146 HydrophobicContact CD1-CD1 3.14Å; I49-L146 HydrophobicContact CD1-CG 4.44Å; I49-L146 HydrophobicContact CG1-CD1 4.44Å; I49-L146 HydrophobicContact CG2-CD1 4.39Å; F51-L146 HydrophobicContact CZ-CB 4.37Å; L59-L146 HydrophobicContact CD1-CB 4.24Å; L59-L146 HydrophobicContact CD1-CD1 4.47Å; E60-L146 CarbonylContact O-C 3.37Å; E60-L146 VanDerWaalsContact O-CA 3.28Å; E60-L146 WeakPolarHBondContact O-CA 3.1Å; V61-L146 HydrophobicContact CB-CD2 3.94Å; V61-L146 HydrophobicContact CG1-CD2 3.86Å; V61-L146 HydrophobicContact CG2-CD2 3.62Å; L144-L146 HydrophobicContact CD1-CD2 3.92Å; L144-L146 HydrophobicContact CD1-CG 4.41Å; L144-L146 HydrophobicContact CD2-CD1 4.22Å; L144-L146 HydrophobicContact CD2-CD2 4.43Å; L144-L146 HydrophobicContact CD2-CG 4.16Å; L144-L146 HydrophobicContact CG-CD2 4.15Å; L144-L146 HydrophobicContact CG-CG 4.09Å; L146-V152 CarbonylContact O-C 3.42Å; L146-V152 VanDerWaalsContact O-CA 3.32Å; L146-V152 WeakPolarHBondContact O-CA 3.45Å; L146-R153 PolarHBondContact N-O 3.44Å; L146-R153 PolarHBondContact O-N 3.12Å; L146-F155 HydrophobicContact CD1-CE2 4.23Å
147	R	60.7	Low	54.6	Low	93 Å²	93	65.8 Å²	65.8	35%	0.351	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	134.4	171.9	179.6	174.5	75.1	171.9	11.3	110.2	L59 E60 L62 D149 V151 V152	L59-R147 CarbonylContact C-O 3.44Å; E60-R147 HydrophobicContact CB-CB 4.29Å; E60-R147 PolarHBondContact N-O 3.22Å; E60-R147 PolarHBondContact O-N 3.04Å; E60-R147 IonicContact OE1-CZ 3.55Å; E60-R147 IonicContact OE1-NE 3.64Å; E60-R147 IonicContact OE1-NH2 3.39Å; E60-R147 PolarHBondContact OE1-NH2 3.24Å; E60-R147 IonicContact OE2-CZ 2.87Å; E60-R147 IonicContact OE2-NE 3.02Å; E60-R147 PolarHBondContact OE2-NE 3.12Å; E60-R147 IonicContact OE2-NH2 3.77Å; E60-R147 PolarHBondContact OE2-NH2 3.15Å; L62-R147 HydrophobicContact CD1-CB 3.8Å; L62-R147 HydrophobicContact CD2-CB 4.3Å; L62-R147 HydrophobicContact CG-CB 3.97Å; R147-D149 WeakPolarHBondContact CG-O 3.14Å; R147-V151 CarbonylContact C-O 3.49Å; R147-V151 VanDerWaalsContact CA-O 3.28Å; R147-V151 WeakPolarHBondContact CA-O 3.35Å; R147-V152 HydrophobicContact CB-CG2 4.1Å; R147-V152 HydrophobicContact CG-CG2 3.89Å
148	K	59.9	Low	54.8	Low	1 Å²	1	66.7 Å²	66.7	0%	0.004	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	118.2	166.3	-165.2	-179.7	-171.8	-170.5	0	108.2	F51 C55 L59 N126 R150 V151	F51-K148 HydrophobicContact CB-CD 3.83Å; F51-K148 HydrophobicContact CD1-CB 4.02Å; F51-K148 HydrophobicContact CD1-CD 4.2Å; F51-K148 HydrophobicContact CD2-CD 4.19Å; F51-K148 HydrophobicContact CE1-CB 3.96Å; F51-K148 HydrophobicContact CG-CB 4.38Å; F51-K148 HydrophobicContact CG-CD 3.82Å; F51-K148 HydrophobicContact CZ-CB 4.28Å; C55-K148 HydrophobicContact CB-CD 3.78Å; C55-K148 HydrophobicContact CB-CG 4.06Å; C55-K148 WeakPolarHBondContact O-CE 3.49Å; C55-K148 PolarHBondContact O-NZ 3.09Å; L59-K148 HydrophobicContact CD1-CB 4.33Å; N126-K148 PolarHBondContact O-NZ 3.26Å; K148-R150 PolarHBondContact O-N 3.15Å; K148-V151 PolarHBondContact N-O 3.02Å; K148-V151 WeakPolarHBondContact O-CB 3.34Å; K148-V151 PolarHBondContact O-N 2.91Å
149	D	65.9	Low	55.5	Low	92 Å²	92	67.8 Å²	67.8	49%	0.492	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	51	-118.8	-168.5	-172	29.1	0	0	0	111.5	G56 R147	G56-D149 WeakPolarHBondContact O-CB 3.3Å; R147-D149 WeakPolarHBondContact CG-O 3.14Å
150	R	66	Low	55.3	Low	226 Å²	226	64.8 Å²	64.8	85%	0.853	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-1.7	179.1	-59.8	178.7	-174.2	179	0.2	113.2	K148	K148-R150 PolarHBondContact O-N 3.15Å
151	V	59.5	Low	54.8	Low	34 Å²	34	65 Å²	65	21%	0.206	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	113.7	-178.2	-176	0	0	0	0	108.7	F51 R147 K148 R153	F51-V151 HydrophobicContact CE1-CG1 4.3Å; R147-V151 CarbonylContact C-O 3.49Å; R147-V151 VanDerWaalsContact CA-O 3.28Å; R147-V151 WeakPolarHBondContact CA-O 3.35Å; K148-V151 PolarHBondContact N-O 3.02Å; K148-V151 WeakPolarHBondContact O-CB 3.34Å; K148-V151 PolarHBondContact O-N 2.91Å; V151-R153 HydrophobicContact CG1-CG 4.36Å
152	V	60.8	Low	53.6	Low	75 Å²	75	67.3 Å²	67.3	46%	0.455	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	139.5	170.1	-176.8	0	0	0	0	108.9	L62 T145 L146 R147	L62-V152 HydrophobicContact CD1-CG1 4.32Å; T145-V152 HydrophobicContact CG2-CG1 3.65Å; L146-V152 CarbonylContact O-C 3.42Å; L146-V152 VanDerWaalsContact O-CA 3.32Å; L146-V152 WeakPolarHBondContact O-CA 3.45Å; R147-V152 HydrophobicContact CB-CG2 4.1Å; R147-V152 HydrophobicContact CG-CG2 3.89Å
153	R	57.4	Low	52.4	Low	82 Å²	82	69.2 Å²	69.2	31%	0.309	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	131.2	177.3	-70.1	-68.9	-174.7	-107.7	1.8	109.2	S12 E14 F51 T145 L146 V151 F155	S12-R153 PolarHBondContact OG-NH2 3.08Å; S12-R153 VanDerWaalsContact OG-NH2 3.13Å; E14-R153 IonicContact OE1-NE 3.02Å; F51-R153 HydrophobicContact CE1-CG 4.31Å; T145-R153 CarbonylContact C-O 3.51Å; T145-R153 VanDerWaalsContact CA-O 3.31Å; T145-R153 WeakPolarHBondContact CA-O 3.15Å; L146-R153 PolarHBondContact N-O 3.44Å; L146-R153 PolarHBondContact O-N 3.12Å; V151-R153 HydrophobicContact CG1-CG 4.36Å; R153-F155 HydrophobicContact CB-CD2 4.47Å; R153-F155 HydrophobicContact CB-CE2 3.7Å; R153-F155 HydrophobicContact CB-CZ 4.16Å
154	L	54.4	Low	50.9	Low	90 Å²	90	70.2 Å²	70.2	47%	0.471	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	121.2	176.3	174.5	68	0	0	0	107.8	Q143 T145 V156	Q143-L154 HydrophobicContact CB-CD1 3.86Å; Q143-L154 HydrophobicContact CG-CD1 4.12Å; T145-L154 WeakPolarHBondContact OG1-CD1 3.38Å; L154-V156 HydrophobicContact CD2-CG2 4.14Å; L154-V156 HydrophobicContact CG-CG2 4.14Å
155	F	54.7	Low	49.5	Very low	26 Å²	26	74.9 Å²	74.9	11%	0.114	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	111.6	171.2	-58.8	-88.5	0	0	0	107.7	E14 L47 I49 Q143 L144 L146 R153 L157	E14-F155 HydrophobicContact CG-CE1 4.4Å; L47-F155 HydrophobicContact CD2-CB 4.44Å; L47-F155 HydrophobicContact CD2-CD1 3.82Å; L47-F155 HydrophobicContact CD2-CD2 4.23Å; L47-F155 HydrophobicContact CD2-CE1 4.09Å; L47-F155 HydrophobicContact CD2-CE2 4.47Å; L47-F155 HydrophobicContact CD2-CG 3.89Å; L47-F155 HydrophobicContact CD2-CZ 4.4Å; I49-F155 HydrophobicContact CD1-CD2 4.42Å; I49-F155 HydrophobicContact CD1-CE2 3.79Å; I49-F155 HydrophobicContact CD1-CZ 4.02Å; I49-F155 HydrophobicContact CG1-CE2 4.49Å; I49-F155 HydrophobicContact CG1-CZ 4.23Å; I49-F155 HydrophobicContact CG2-CZ 4.21Å; Q143-F155 WeakPolarHBondContact CA-O 3.47Å; L144-F155 HydrophobicContact CB-CB 4.19Å; L144-F155 HydrophobicContact CD2-CB 4.42Å; L144-F155 HydrophobicContact CD2-CD2 3.9Å; L144-F155 HydrophobicContact CD2-CG 4.41Å; L144-F155 HydrophobicContact CG-CD2 4.39Å; L144-F155 PolarHBondContact N-O 2.81Å; L144-F155 PolarHBondContact O-N 3.49Å; L146-F155 HydrophobicContact CD1-CE2 4.23Å; R153-F155 HydrophobicContact CB-CD2 4.47Å; R153-F155 HydrophobicContact CB-CE2 3.7Å; R153-F155 HydrophobicContact CB-CZ 4.16Å; F155-L157 PolarHBondContact O-N 2.87Å
156	V	51.4	Low	48.1	Very low	37 Å²	37	84 Å²	84	22%	0.224	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	111.7	173.5	-175.4	0	0	0	0	108	Q143 L154 K158	Q143-V156 HydrophobicContact CG-CG2 4.4Å; L154-V156 HydrophobicContact CD2-CG2 4.14Å; L154-V156 HydrophobicContact CG-CG2 4.14Å; V156-K158 HydrophobicContact CG1-CG 4.01Å; V156-K158 PolarHBondContact O-N 2.92Å
157	L	52.6	Low	46.5	Very low	20 Å²	20	85 Å²	85	11%	0.105	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	86.6	-178	-64.2	154.8	0	0	0	107.4	P65 F136 D142 L144 F155 R159	P65-L157 HydrophobicContact CB-CD1 3.81Å; P65-L157 HydrophobicContact CG-CD1 3.93Å; F136-L157 HydrophobicContact CE1-CB 4.41Å; F136-L157 HydrophobicContact CE1-CD1 3.57Å; F136-L157 HydrophobicContact CE1-CG 4.38Å; F136-L157 HydrophobicContact CE2-CD2 4.42Å; F136-L157 HydrophobicContact CZ-CB 4.34Å; F136-L157 HydrophobicContact CZ-CD1 3.47Å; F136-L157 VanDerWaalsContact CZ-CD1 3.47Å; F136-L157 HydrophobicContact CZ-CD2 3.76Å; F136-L157 HydrophobicContact CZ-CG 4.03Å; D142-L157 HydrophobicContact CB-CB 4.43Å; D142-L157 PolarHBondContact O-N 3.24Å; L144-L157 HydrophobicContact CB-CD1 3.98Å; F155-L157 PolarHBondContact O-N 2.87Å; L157-R159 PolarHBondContact O-N 2.88Å
158	K	42.8	Very low	45.4	Very low	105 Å²	105	84.7 Å²	84.7	46%	0.457	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	105	177	-72.2	-170.7	177.3	177.7	0	109.7	V156 N160 F175 L182	V156-K158 HydrophobicContact CG1-CG 4.01Å; V156-K158 PolarHBondContact O-N 2.92Å; K158-N160 PolarHBondContact O-N 2.7Å; K158-F175 VanDerWaalsContact O-CE2 3.23Å; K158-F175 WeakPolarHBondContact O-CE2 3.15Å; K158-L182 HydrophobicContact CD-CD1 4.3Å; K158-L182 HydrophobicContact CG-CD1 4.4Å
159	R	49.9	Very low	44.4	Very low	68 Å²	68	91.4 Å²	91.4	26%	0.257	44%	0.444	S	S	.	.			trans	-74.5	86.8	169.6	-63	-169.4	-157.9	-149.1	4.7	109.5	S66 F136 F137 G138 D142 L157	S66-R159 PolarHBondContact O-NH2 2.97Å; F136-R159 PolarHBondContact O-NH1 2.77Å; F137-R159 PolarHBondContact O-NH2 2.85Å; G138-R159 PolarHBondContact O-NH1 3.19Å; D142-R159 IonicContact OD2-CZ 3.64Å; D142-R159 IonicContact OD2-NE 3.37Å; D142-R159 PolarHBondContact OD2-NE 3.3Å; D142-R159 IonicContact OD2-NH2 2.93Å; D142-R159 PolarHBondContact OD2-NH2 2.85Å; L157-R159 PolarHBondContact O-N 2.88Å
160	N	32.7	Very low	43.2	Very low	145 Å²	145	89.9 Å²	89.9	78%	0.775	44%	0.44	S	S	*	.			trans	-96.8	7.7	174.7	-129	8.9	0	0	0	113.9	K158	K158-N160 PolarHBondContact O-N 2.7Å
161	V	30.4	Very low	41.8	Very low	43 Å²	43	83.4 Å²	83.4	26%	0.261	42%	0.42	S	S	.	.			trans	-138.8	114.7	177.5	-147.9	0	0	0	0	108.8	V163 L167 F175	V161-V163 PolarHBondContact O-N 3.14Å; V161-L167 HydrophobicContact CB-CD1 3.89Å; V161-L167 HydrophobicContact CG1-CD1 3.33Å; V161-L167 HydrophobicContact CG1-CD2 3.4Å; V161-L167 HydrophobicContact CG1-CG 3.95Å; V161-F175 HydrophobicContact CG2-CB 3.96Å; V161-F175 HydrophobicContact CG2-CD2 3.74Å; V161-F175 HydrophobicContact CG2-CG 4.16Å
162	Q	30.1	Very low	40.9	Very low	172 Å²	172	82.7 Å²	82.7	80%	0.804	41%	0.414	S	S	*	.			trans	-54.8	101.5	150.1	-176.7	174.8	10.8	0	0	103.8	D164	Q162-D164 PolarHBondContact O-N 3.1Å
163	V	29.9	Very low	40	Very low	54 Å²	54	82.8 Å²	82.8	33%	0.327	41%	0.413	S	S	.	.			trans	-71.2	73.9	171.5	-171.5	0	0	0	0	105.5	V43 V161 S165 L167	V43-V163 HydrophobicContact CG2-CB 3.95Å; V43-V163 HydrophobicContact CG2-CG1 3.54Å; V43-V163 HydrophobicContact CG2-CG2 4.06Å; V161-V163 PolarHBondContact O-N 3.14Å; V163-S165 PolarHBondContact O-N 2.91Å; V163-L167 HydrophobicContact CB-CD1 3.81Å; V163-L167 HydrophobicContact CB-CG 4.48Å; V163-L167 HydrophobicContact CG1-CB 4.41Å; V163-L167 HydrophobicContact CG1-CD1 3.61Å; V163-L167 HydrophobicContact CG1-CG 4.04Å; V163-L167 HydrophobicContact CG2-CD1 3.66Å
164	D	26.3	Very low	39.3	Very low	90 Å²	90	85.6 Å²	85.6	48%	0.481	43%	0.427	S	S	.	.			trans	-48.8	128.6	151.1	-166.2	-4.9	0	0	0	103.6	Q162 R166 L167	Q162-D164 PolarHBondContact O-N 3.1Å; D164-R166 PolarHBondContact O-N 3.19Å; D164-L167 PolarHBondContact O-N 2.75Å
165	S	31.7	Very low	38.6	Very low	98 Å²	98	83.2 Å²	83.2	69%	0.685	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	5.2	-175.4	51.4	0	0	0	0	113.8	V163	V163-S165 PolarHBondContact O-N 2.91Å
166	R	29	Very low	38	Very low	208 Å²	208	83.9 Å²	83.9	79%	0.785	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106	2.8	178.4	-60.7	-178.6	172.7	-168.7	-1	114.6	D164 D168	D164-R166 PolarHBondContact O-N 3.19Å; R166-D168 PolarHBondContact O-N 3.17Å
167	L	30	Very low	37.7	Very low	25 Å²	25	88.5 Å²	88.5	13%	0.131	43%	0.433	C	S	.	.			trans	-55.9	112.9	173.5	-69.3	-176.3	0	0	0	109.3	V161 V163 D164 E171 L172	V161-L167 HydrophobicContact CB-CD1 3.89Å; V161-L167 HydrophobicContact CG1-CD1 3.33Å; V161-L167 HydrophobicContact CG1-CD2 3.4Å; V161-L167 HydrophobicContact CG1-CG 3.95Å; V163-L167 HydrophobicContact CB-CD1 3.81Å; V163-L167 HydrophobicContact CB-CG 4.48Å; V163-L167 HydrophobicContact CG1-CB 4.41Å; V163-L167 HydrophobicContact CG1-CD1 3.61Å; V163-L167 HydrophobicContact CG1-CG 4.04Å; V163-L167 HydrophobicContact CG2-CD1 3.66Å; D164-L167 PolarHBondContact O-N 2.75Å; L167-E171 HydrophobicContact CD2-CB 4.02Å; L167-E171 WeakPolarHBondContact CD2-OE2 3.44Å; L167-L172 HydrophobicContact CB-CD1 4.43Å; L167-L172 HydrophobicContact CB-CG 4.11Å; L167-L172 HydrophobicContact CD1-CD2 4.17Å; L167-L172 HydrophobicContact CD1-CG 4.36Å
168	D	37.8	Very low	36.9	Very low	88 Å²	88	90 Å²	90	47%	0.471	45%	0.448	S	S	.	.			trans	-68.9	167.5	175.5	73.1	33.7	0	0	0	110.1	R166 S170 E171 L172	R166-D168 PolarHBondContact O-N 3.17Å; D168-S170 PolarHBondContact O-N 3.38Å; D168-S170 WeakPolarHBondContact OD1-CA 3.03Å; D168-S170 VanDerWaalsContact OD1-CB 3.26Å; D168-S170 WeakPolarHBondContact OD1-CB 3.29Å; D168-S170 PolarHBondContact OD1-N 3.49Å; D168-S170 PolarHBondContact OD1-OG 3.02Å; D168-E171 PolarHBondContact O-N 2.85Å; D168-E171 PolarHBondContact OD1-N 3.41Å; D168-L172 PolarHBondContact O-N 2.92Å
169	H	38.8	Very low	36.8	Very low	142 Å²	142	86.2 Å²	86.2	66%	0.657	43%	0.433	S	S	*	.	H	α-helix	trans	-54.4	-26.7	-177.6	-120.7	89.5	0	0	0	113.4	R18 D173	R18-H169 PolarHBondContact NH1-CE1 3.49Å; R18-H169 PolarHBondContact NH1-NE2 3.17Å; H169-D173 WeakPolarHBondContact O-CB 3.26Å; H169-D173 PolarHBondContact O-N 3.07Å
170	S	40.8	Very low	36.1	Very low	60 Å²	60	85.4 Å²	85.4	42%	0.42	45%	0.446	S	S	.	.	H	α-helix	trans	-79.9	-36.2	-175.1	82.4	0	0	0	0	112.8	D168 K174	D168-S170 PolarHBondContact O-N 3.38Å; D168-S170 WeakPolarHBondContact OD1-CA 3.03Å; D168-S170 VanDerWaalsContact OD1-CB 3.26Å; D168-S170 WeakPolarHBondContact OD1-CB 3.29Å; D168-S170 PolarHBondContact OD1-N 3.49Å; D168-S170 PolarHBondContact OD1-OG 3.02Å; S170-K174 WeakPolarHBondContact O-CG 3.45Å; S170-K174 PolarHBondContact O-N 3.04Å
171	E	37.8	Very low	36.1	Very low	90 Å²	90	82.6 Å²	82.6	42%	0.421	44%	0.437	S	S	.	.	H	α-helix	trans	-73.3	-36.6	177.8	-62.3	-159.6	123.7	0	0	111.5	L167 D168 K174 F175	L167-E171 HydrophobicContact CD2-CB 4.02Å; L167-E171 WeakPolarHBondContact CD2-OE2 3.44Å; D168-E171 PolarHBondContact O-N 2.85Å; D168-E171 PolarHBondContact OD1-N 3.41Å; E171-K174 PolarHBondContact O-N 3.39Å; E171-F175 PolarHBondContact O-N 2.79Å; E171-F175 VanDerWaalsContact O-N 3.11Å
172	L	38.9	Very low	36.1	Very low	18 Å²	18	84.3 Å²	84.3	9%	0.094	45%	0.445	C	S	.	.	H	α-helix	trans	-63.2	-44	171.6	-77.8	164.8	0	0	0	112.1	L167 D168 K174 F175 F176	L167-L172 HydrophobicContact CB-CD1 4.43Å; L167-L172 HydrophobicContact CB-CG 4.11Å; L167-L172 HydrophobicContact CD1-CD2 4.17Å; L167-L172 HydrophobicContact CD1-CG 4.36Å; D168-L172 PolarHBondContact O-N 2.92Å; L172-K174 VanDerWaalsContact C-N 3.31Å; L172-K174 PolarHBondContact O-N 2.85Å; L172-F175 WeakPolarHBondContact O-CB 2.97Å; L172-F175 PolarHBondContact O-N 3.28Å; L172-F175 VanDerWaalsContact O-N 3.15Å; L172-F176 HydrophobicContact CB-CE2 4.41Å; L172-F176 HydrophobicContact CD2-CE2 4.29Å; L172-F176 WeakPolarHBondContact O-CD2 3.3Å; L172-F176 PolarHBondContact O-N 3.41Å
173	D	42.9	Very low	36.2	Very low	78 Å²	78	83.2 Å²	83.2	42%	0.417	46%	0.456	S	S	.	.	H	α-helix	trans	-62.5	-37.9	178.2	-171.6	52.8	0	0	0	112	H169 F176 K177	H169-D173 WeakPolarHBondContact O-CB 3.26Å; H169-D173 PolarHBondContact O-N 3.07Å; D173-F176 PolarHBondContact O-N 2.83Å; D173-K177 WeakPolarHBondContact O-CB 3.32Å; D173-K177 WeakPolarHBondContact O-CG 3.13Å; D173-K177 PolarHBondContact O-N 3.07Å; D173-K177 VanDerWaalsContact OD2-CE 3.24Å; D173-K177 WeakPolarHBondContact OD2-CE 3.2Å; D173-K177 IonicContact OD2-NZ 2.68Å; D173-K177 PolarHBondContact OD2-NZ 2.74Å
174	K	41.8	Very low	36.5	Very low	140 Å²	140	84.7 Å²	84.7	61%	0.609	46%	0.462	S	S	*	.	H	α-helix	trans	-62	-42.8	172.8	-72.2	172.8	-172.7	167.8	0	112	S170 E171 L172 K177 A178	S170-K174 WeakPolarHBondContact O-CG 3.45Å; S170-K174 PolarHBondContact O-N 3.04Å; E171-K174 PolarHBondContact O-N 3.39Å; L172-K174 VanDerWaalsContact C-N 3.31Å; L172-K174 PolarHBondContact O-N 2.85Å; K174-K177 PolarHBondContact O-N 3.04Å; K174-A178 WeakPolarHBondContact O-CB 3.12Å; K174-A178 PolarHBondContact O-N 2.59Å
175	F	39.6	Very low	37	Very low	41 Å²	41	84.4 Å²	84.4	18%	0.18	46%	0.461	C	S	.	.	H	α-helix	trans	-60.7	-47.6	176.3	172.6	-99.9	0	0	0	111.8	K158 V161 E171 L172 K177 A178 L179	K158-F175 VanDerWaalsContact O-CE2 3.23Å; K158-F175 WeakPolarHBondContact O-CE2 3.15Å; V161-F175 HydrophobicContact CG2-CB 3.96Å; V161-F175 HydrophobicContact CG2-CD2 3.74Å; V161-F175 HydrophobicContact CG2-CG 4.16Å; E171-F175 PolarHBondContact O-N 2.79Å; E171-F175 VanDerWaalsContact O-N 3.11Å; L172-F175 WeakPolarHBondContact O-CB 2.97Å; L172-F175 PolarHBondContact O-N 3.28Å; L172-F175 VanDerWaalsContact O-N 3.15Å; F175-K177 PolarHBondContact O-N 2.67Å; F175-A178 WeakPolarHBondContact O-CB 3.49Å; F175-A178 PolarHBondContact O-N 3.43Å; F175-L179 HydrophobicContact CD1-CD1 4.02Å; F175-L179 HydrophobicContact CE1-CD1 3.38Å; F175-L179 HydrophobicContact CE1-CG 4.4Å; F175-L179 HydrophobicContact CE2-CD1 4.32Å; F175-L179 HydrophobicContact CZ-CD1 3.57Å; F175-L179 HydrophobicContact CZ-CG 4.34Å; F175-L179 PolarHBondContact O-N 3.44Å
176	F	42.4	Very low	37.3	Very low	40 Å²	40	83.7 Å²	83.7	18%	0.175	45%	0.449	C	S	.	.	H	α-helix	trans	-67.4	-36.8	179.2	-73	-61.6	0	0	0	112.9	L16 V45 L172 D173 A178 L179 G180	L16-F176 HydrophobicContact CD2-CD1 3.45Å; L16-F176 VanDerWaalsContact CD2-CD1 3.45Å; L16-F176 HydrophobicContact CD2-CE1 3.98Å; L16-F176 HydrophobicContact CG-CD1 3.88Å; L16-F176 HydrophobicContact CG-CE1 4.07Å; V45-F176 HydrophobicContact CG1-CE1 4.07Å; L172-F176 HydrophobicContact CB-CE2 4.41Å; L172-F176 HydrophobicContact CD2-CE2 4.29Å; L172-F176 WeakPolarHBondContact O-CD2 3.3Å; L172-F176 PolarHBondContact O-N 3.41Å; D173-F176 PolarHBondContact O-N 2.83Å; F176-A178 VanDerWaalsContact C-N 3.32Å; F176-A178 PolarHBondContact O-N 3.07Å; F176-L179 HydrophobicContact CD1-CD1 4.46Å; F176-L179 PolarHBondContact O-N 3.12Å; F176-G180 PolarHBondContact O-N 3.18Å
177	K	45.2	Very low	37.8	Very low	134 Å²	134	76.4 Å²	76.4	58%	0.583	43%	0.429	S	S	*	.	H	α-helix	trans	-61.6	-40.3	170.6	-79.1	171.1	175.1	160.2	0	112.1	D173 K174 F175 L179 G180 S181	D173-K177 WeakPolarHBondContact O-CB 3.32Å; D173-K177 WeakPolarHBondContact O-CG 3.13Å; D173-K177 PolarHBondContact O-N 3.07Å; D173-K177 VanDerWaalsContact OD2-CE 3.24Å; D173-K177 WeakPolarHBondContact OD2-CE 3.2Å; D173-K177 IonicContact OD2-NZ 2.68Å; D173-K177 PolarHBondContact OD2-NZ 2.74Å; K174-K177 PolarHBondContact O-N 3.04Å; F175-K177 PolarHBondContact O-N 2.67Å; K177-L179 VanDerWaalsContact C-N 3.34Å; K177-G180 PolarHBondContact O-N 3.24Å; K177-S181 PolarHBondContact O-N 3.21Å; K177-S181 VanDerWaalsContact O-N 3.14Å
178	A	37	Very low	38.3	Very low	51 Å²	51	79.6 Å²	79.6	42%	0.421	45%	0.448	S	S	.	.	H	α-helix	trans	-64	-39.3	176	0	0	0	0	0	111.8	K174 F175 F176 S181	K174-A178 WeakPolarHBondContact O-CB 3.12Å; K174-A178 PolarHBondContact O-N 2.59Å; F175-A178 WeakPolarHBondContact O-CB 3.49Å; F175-A178 PolarHBondContact O-N 3.43Å; F176-A178 VanDerWaalsContact C-N 3.32Å; F176-A178 PolarHBondContact O-N 3.07Å; A178-S181 PolarHBondContact O-N 3.14Å; A178-S181 PolarHBondContact O-OG 2.75Å
179	L	39.8	Very low	38.3	Very low	26 Å²	26	79 Å²	79	14%	0.136	45%	0.446	C	S	.	.	H	α-helix	trans	-67.9	-44	174.6	-75.5	172.1	0	0	0	112.9	L16 F175 F176 K177 S181 L182	L16-L179 HydrophobicContact CD2-CB 3.88Å; L16-L179 HydrophobicContact CD2-CD1 3.83Å; F175-L179 HydrophobicContact CD1-CD1 4.02Å; F175-L179 HydrophobicContact CE1-CD1 3.38Å; F175-L179 HydrophobicContact CE1-CG 4.4Å; F175-L179 HydrophobicContact CE2-CD1 4.32Å; F175-L179 HydrophobicContact CZ-CD1 3.57Å; F175-L179 HydrophobicContact CZ-CG 4.34Å; F175-L179 PolarHBondContact O-N 3.44Å; F176-L179 HydrophobicContact CD1-CD1 4.46Å; F176-L179 PolarHBondContact O-N 3.12Å; K177-L179 VanDerWaalsContact C-N 3.34Å; L179-S181 PolarHBondContact O-N 3.39Å; L179-L182 PolarHBondContact O-N 3.12Å; L179-L182 VanDerWaalsContact O-N 3.15Å
180	G	35.9	Very low	38.3	Very low	51 Å²	51	74.5 Å²	74.5	53%	0.526	43%	0.431	S	S	.	.	H	α-helix	trans	-62.6	-24.4	177.7	0	0	0	0	0	113.7	F176 K177 L182 S183	F176-G180 PolarHBondContact O-N 3.18Å; K177-G180 PolarHBondContact O-N 3.24Å; G180-L182 PolarHBondContact O-N 3.04Å; G180-S183 PolarHBondContact O-OG 2.87Å
181	S	32.2	Very low	38.1	Very low	86 Å²	86	75.6 Å²	75.6	60%	0.601	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-0.7	176.6	73.9	0	0	0	0	115.2	K177 A178 L179	K177-S181 PolarHBondContact O-N 3.21Å; K177-S181 VanDerWaalsContact O-N 3.14Å; A178-S181 PolarHBondContact O-N 3.14Å; A178-S181 PolarHBondContact O-OG 2.75Å; L179-S181 PolarHBondContact O-N 3.39Å
182	L	30.7	Very low	38.1	Very low	79 Å²	79	74.4 Å²	74.4	41%	0.414	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	18.9	179	-73.6	163.3	0	0	0	114	K158 L179 G180	K158-L182 HydrophobicContact CD-CD1 4.3Å; K158-L182 HydrophobicContact CG-CD1 4.4Å; L179-L182 PolarHBondContact O-N 3.12Å; L179-L182 VanDerWaalsContact O-N 3.15Å; G180-L182 PolarHBondContact O-N 3.04Å
183	S	31.2	Very low	38.1	Very low	149 Å²	149	79.5 Å²	79.5	100%	1.042	46%	0.464	S	S	*	.			trans	-81.6	0	165.1	45.2	0	0	0	0	111.6	G180	G180-S183 PolarHBondContact O-OG 2.87Å

Retrieved 183 of 183 residues in 439.3 ms (Link to these results)

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