A0A5K4F7A7_SCHMA Loading...

CST complex subunit CTC1

AlphaFold DB , UniProt , Accession A0A5K4F7A7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 213 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34	Very low	33.3	Very low	236 Å²	236	163.2 Å²	163.2	100%	1.163	83%	0.828	S	S	*	*				0	106.9	0	-71.6	156.3	165	0	0	105.1
2	N	38	Very low	33.2	Very low	156 Å²	156	160.5 Å²	160.5	83%	0.834	83%	0.83	S	S	*	*			cis	-135.8	122.8	24.9	-58.7	-38.9	0	0	0	107.2
3	K	29.8	Very low	32.9	Very low	182 Å²	182	153.5 Å²	153.5	79%	0.791	82%	0.821	S	S	*	*				28.6	116.9	90.9	-141.6	-174.7	-174.5	-161.2	0	115.5
4	L	35.8	Very low	33	Very low	148 Å²	148	150.3 Å²	150.3	78%	0.775	82%	0.817	S	S	*	*			trans	165.3	97.9	130.9	-83.7	164.4	0	0	0	107
5	E	33.1	Very low	33.4	Very low	160 Å²	160	148.9 Å²	148.9	75%	0.748	82%	0.815	S	S	*	*				100.5	119.4	76.1	-164	153.9	169.5	0	0	110.4
6	L	32.9	Very low	34	Very low	144 Å²	144	151.8 Å²	151.8	75%	0.754	81%	0.81	S	S	*	*			trans	-72.9	146.7	176.8	-86.9	118.2	0	0	0	109.8
7	D	36.2	Very low	34.7	Very low	168 Å²	168	149.9 Å²	149.9	90%	0.898	79%	0.789	S	S	*	*			trans	-129.6	139.3	151	-121.1	-19.5	0	0	0	111.2
8	H	33.6	Very low	35.3	Very low	138 Å²	138	145.9 Å²	145.9	64%	0.639	77%	0.774	S	S	*	*			trans	-87.6	161.7	-172.1	-78.1	4.8	0	0	0	112.7
9	H	34.1	Very low	35.8	Very low	190 Å²	190	145.5 Å²	145.5	88%	0.88	77%	0.765	S	S	*	*			trans	89.4	113.3	163.6	-62.6	-76.6	0	0	0	118.9
10	G	27.7	Very low	36.5	Very low	73 Å²	73	145.2 Å²	145.2	75%	0.753	76%	0.758	S	S	*	*			trans	135	100.5	140.2	0	0	0	0	0	117.1
11	K	31.3	Very low	37	Very low	200 Å²	200	140.6 Å²	140.6	87%	0.87	73%	0.733	S	S	*	*			trans	68.2	139.8	163.2	-68.3	-179.1	175.6	179.4	0	117.5	G13	K11-G13 PolarHBondContact O-N 3.03Å
12	P	32.3	Very low	37.8	Very low	131 Å²	131	129.5 Å²	129.5	85%	0.851	68%	0.679	S	S	*	*			trans	-61.4	114.4	168.4	27.1	-30.3	0	0	0	107.5	S14	P12-S14 PolarHBondContact O-N 3.45Å
13	G	28.8	Very low	38.3	Very low	70 Å²	70	123.1 Å²	123.1	72%	0.722	64%	0.644	S	S	*	*			trans	-58.7	111.5	176.2	0	0	0	0	0	109	K11 T15	K11-G13 PolarHBondContact O-N 3.03Å; G13-T15 PolarHBondContact O-N 3Å
14	S	34.2	Very low	39.3	Very low	108 Å²	108	115 Å²	115	76%	0.755	61%	0.61	S	S	*	*			trans	-53.3	106.4	158.3	176.4	0	0	0	0	106.7	P12 R16	P12-S14 PolarHBondContact O-N 3.45Å; S14-R16 PolarHBondContact O-N 2.95Å
15	T	39.5	Very low	40.2	Very low	129 Å²	129	108 Å²	108	79%	0.791	57%	0.573	S	S	*	*			trans	-60.9	92.6	167.8	27.7	0	0	0	0	106.9	G13 R17	G13-T15 PolarHBondContact O-N 3Å; T15-R17 PolarHBondContact O-N 2.99Å
16	R	42.1	Very low	41.3	Very low	196 Å²	196	100.6 Å²	100.6	74%	0.74	54%	0.538	S	S	*	.			trans	-51.5	107.1	168.4	-84.6	-177.1	168.8	-176.7	-6.9	107.2	S14	S14-R16 PolarHBondContact O-N 2.95Å
17	R	47.2	Very low	42.7	Very low	119 Å²	119	93.9 Å²	93.9	45%	0.449	50%	0.503	S	S	.	.			trans	-56.2	138.4	169.7	-73	-166	-82.9	-162.9	3.4	107.7	T15 F19 D88 D163	T15-R17 PolarHBondContact O-N 2.99Å; R17-F19 PolarHBondContact O-N 3.35Å; R17-D88 IonicContact NH1-OD1 2.9Å; R17-D163 IonicContact CZ-OD2 2.69Å; R17-D163 IonicContact NE-OD2 3.71Å; R17-D163 IonicContact NH2-OD2 2.84Å; R17-D163 PolarHBondContact NH2-OD2 3.38Å
18	P	44.7	Very low	43.9	Very low	79 Å²	79	86.4 Å²	86.4	51%	0.513	46%	0.463	S	S	.	.			trans	-57.3	128.4	176.9	18.6	-24.8	0	0	0	108.9	H20 E21	P18-H20 PolarHBondContact O-N 3.31Å; P18-E21 HydrophobicContact CG-CG 4.04Å; P18-E21 WeakPolarHBondContact CG-OE1 3.02Å; P18-E21 PolarHBondContact O-N 2.82Å; P18-E21 VanDerWaalsContact O-N 3.13Å
19	F	45.4	Very low	45.2	Very low	138 Å²	138	80 Å²	80	61%	0.605	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	16	-175.2	-70.9	-87.5	0	0	0	115.8	R17	R17-F19 PolarHBondContact O-N 3.35Å
20	H	48.7	Very low	46.5	Very low	138 Å²	138	73.1 Å²	73.1	64%	0.639	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.2	8.3	-177.1	-62.6	-60.6	0	0	0	113.1	P18 L22	P18-H20 PolarHBondContact O-N 3.31Å; H20-L22 PolarHBondContact O-N 3.26Å
21	E	48	Very low	48	Very low	50 Å²	50	69.7 Å²	69.7	23%	0.234	37%	0.369	C	S	.	.			trans	-72.1	116.7	169.8	-76.1	178.3	178.4	0	0	108.8	P18 L23 Y162	P18-E21 HydrophobicContact CG-CG 4.04Å; P18-E21 WeakPolarHBondContact CG-OE1 3.02Å; P18-E21 PolarHBondContact O-N 2.82Å; P18-E21 VanDerWaalsContact O-N 3.13Å; E21-L23 PolarHBondContact O-N 2.99Å; E21-Y162 WeakPolarHBondContact O-CD1 2.91Å
22	L	49.9	Very low	49.5	Very low	3 Å²	3	64.6 Å²	64.6	2%	0.016	35%	0.349	C	S	.	.			trans	-66.3	132.1	164.6	-172.7	78.9	0	0	0	108	H20 E24 A25 R87 N160 I161 Y162	H20-L22 PolarHBondContact O-N 3.26Å; L22-E24 VanDerWaalsContact CD2-O 3.31Å; L22-E24 WeakPolarHBondContact CD2-O 3.17Å; L22-A25 HydrophobicContact CD2-CB 4.34Å; L22-R87 VanDerWaalsContact CB-NH2 3.27Å; L22-R87 VanDerWaalsContact O-CB 3.3Å; L22-R87 WeakPolarHBondContact O-CB 2.87Å; L22-R87 WeakPolarHBondContact O-CD 3.33Å; L22-N160 HydrophobicContact CD1-CB 3.24Å; L22-N160 HydrophobicContact CD2-CB 3.93Å; L22-N160 WeakPolarHBondContact CD2-OD1 3.48Å; L22-N160 HydrophobicContact CG-CB 4.28Å; L22-I161 WeakPolarHBondContact CD1-O 3.47Å; L22-Y162 HydrophobicContact CB-CE1 4.3Å; L22-Y162 HydrophobicContact CD1-CD1 4.39Å; L22-Y162 HydrophobicContact CD1-CD2 4.19Å; L22-Y162 HydrophobicContact CD1-CE1 3.82Å; L22-Y162 HydrophobicContact CD1-CE2 3.51Å; L22-Y162 WeakPolarHBondContact CD1-OH 3.41Å
23	L	49	Very low	50.9	Low	21 Å²	21	58.8 Å²	58.8	11%	0.11	31%	0.31	C	S	.	.			trans	-101	-25.6	-177.9	-70.3	133	0	0	0	112.9	E21 V86 R87 I161 D163	E21-L23 PolarHBondContact O-N 2.99Å; L23-V86 CarbonylContact O-C 3.37Å; L23-V86 VanDerWaalsContact O-CA 3.24Å; L23-V86 WeakPolarHBondContact O-CA 3.08Å; L23-V86 WeakPolarHBondContact O-CG1 3.35Å; L23-R87 PolarHBondContact O-N 2.86Å; L23-I161 PolarHBondContact N-O 3.18Å; L23-D163 HydrophobicContact CD1-CB 3.37Å; L23-D163 VanDerWaalsContact CD1-OD1 3.29Å; L23-D163 WeakPolarHBondContact CD1-OD1 3.4Å; L23-D163 WeakPolarHBondContact CD1-OD2 3.2Å; L23-D163 WeakPolarHBondContact CD2-OD2 3.11Å
24	E	51.9	Low	52.2	Low	13 Å²	13	57.2 Å²	57.2	6%	0.061	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	136.7	-178.6	-151.4	-179.8	143.1	0	0	112.8	L22 T84 V85 V86 N160 I161	L22-E24 VanDerWaalsContact CD2-O 3.31Å; L22-E24 WeakPolarHBondContact CD2-O 3.17Å; E24-T84 HydrophobicContact CG-CG2 3.57Å; E24-T84 WeakPolarHBondContact OE1-CB 3.46Å; E24-T84 WeakPolarHBondContact OE1-CG2 3.13Å; E24-T84 PolarHBondContact OE1-OG1 3.36Å; E24-V85 CarbonylContact C-O 3.55Å; E24-V85 VanDerWaalsContact CA-O 3.3Å; E24-V85 WeakPolarHBondContact CA-O 3.3Å; E24-V86 HydrophobicContact CG-CG2 4.21Å; E24-N160 WeakPolarHBondContact O-CA 3.32Å; E24-I161 HydrophobicContact CB-CB 3.83Å; E24-I161 HydrophobicContact CB-CD1 3.94Å; E24-I161 HydrophobicContact CB-CG1 4.28Å; E24-I161 HydrophobicContact CG-CD1 4.28Å; E24-I161 PolarHBondContact N-O 2.92Å; E24-I161 PolarHBondContact O-N 3.04Å
25	A	54.8	Low	53.5	Low	0 Å²	0	57 Å²	57	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	122.9	165.7	0	0	0	0	0	109.4	L22 V85 W96 I123 V158 H159	L22-A25 HydrophobicContact CD2-CB 4.34Å; A25-V85 PolarHBondContact N-O 2.98Å; A25-V85 PolarHBondContact O-N 3.03Å; A25-W96 HydrophobicContact CB-CH2 4.28Å; A25-I123 HydrophobicContact CB-CD1 4.48Å; A25-I123 HydrophobicContact CB-CG2 3.93Å; A25-V158 HydrophobicContact CB-CG1 3.73Å; A25-H159 VanDerWaalsContact CA-O 3.27Å; A25-H159 WeakPolarHBondContact CA-O 3.42Å
26	I	55.1	Low	54.5	Low	4 Å²	4	57.6 Å²	57.6	2%	0.021	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	120.4	177.1	-72.2	172.8	0	0	0	109.8	I28 C82 V158 H159 I161 A202	I26-I28 HydrophobicContact CG2-CD1 4.2Å; I26-I28 HydrophobicContact CG2-CG1 3.66Å; I26-C82 WeakPolarHBondContact CG2-SG 3.29Å; I26-V158 VanDerWaalsContact O-CA 3.28Å; I26-V158 WeakPolarHBondContact O-CA 3.48Å; I26-H159 HydrophobicContact CB-CB 4.28Å; I26-H159 PolarHBondContact N-O 3.26Å; I26-H159 PolarHBondContact O-N 2.71Å; I26-I161 HydrophobicContact CD1-CD1 3.4Å; I26-I161 HydrophobicContact CG1-CD1 4.07Å; I26-A202 HydrophobicContact CD1-CB 4.43Å
27	L	62	Low	55.1	Low	4 Å²	4	48.8 Å²	48.8	2%	0.021	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	127.3	166	-179.3	79.9	0	0	0	109.8	C82 V83 L116 I129 L150 V158	L27-C82 CarbonylContact O-C 3.58Å; L27-C82 VanDerWaalsContact O-CA 3.27Å; L27-C82 WeakPolarHBondContact O-CA 3.48Å; L27-V83 HydrophobicContact CB-CB 4.24Å; L27-V83 PolarHBondContact N-O 3.27Å; L27-V83 PolarHBondContact O-N 2.86Å; L27-L116 HydrophobicContact CD1-CD1 3.83Å; L27-I129 HydrophobicContact CD2-CD1 3.57Å; L27-L150 HydrophobicContact CD1-CD1 4.05Å; L27-L150 HydrophobicContact CD1-CD2 4.34Å; L27-L150 HydrophobicContact CD2-CD1 4.29Å; L27-L150 HydrophobicContact CG-CD1 4.18Å; L27-V158 HydrophobicContact CD1-CG2 4.24Å
28	I	60.8	Low	55.4	Low	10 Å²	10	54.2 Å²	54.2	5%	0.051	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	127.7	178.1	-53.2	179.7	0	0	0	109.6	I26 H80 L150 A202	I26-I28 HydrophobicContact CG2-CD1 4.2Å; I26-I28 HydrophobicContact CG2-CG1 3.66Å; I28-H80 HydrophobicContact CG2-CB 3.95Å; I28-L150 WeakPolarHBondContact O-CD1 3.43Å; I28-A202 HydrophobicContact CD1-CB 4.27Å
29	S	61.3	Low	55.7	Low	3 Å²	3	50.5 Å²	50.5	2%	0.021	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	134.3	172.2	-175.8	0	0	0	0	110.8	H80 I81 M137 T149	S29-H80 CarbonylContact O-C 3.54Å; S29-H80 VanDerWaalsContact O-CA 3.23Å; S29-H80 WeakPolarHBondContact O-CA 3.26Å; S29-I81 PolarHBondContact N-O 3.24Å; S29-I81 PolarHBondContact O-N 2.87Å; S29-M137 WeakPolarHBondContact OG-CE 3.31Å; S29-T149 PolarHBondContact OG-O 3.24Å
30	T	62.8	Low	56	Low	46 Å²	46	46.8 Å²	46.8	28%	0.282	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	126.1	166.5	-55	0	0	0	0	108.9	H80 T149	T30-H80 PolarHBondContact OG1-CE1 2.79Å; T30-H80 PolarHBondContact OG1-ND1 3.4Å; T30-T149 PolarHBondContact O-N 3.46Å; T30-T149 VanDerWaalsContact O-O 3.08Å; T30-T149 PolarHBondContact O-OG1 3.26Å
31	C	59.1	Low	56	Low	1 Å²	1	48.1 Å²	48.1	1%	0.007	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	146	-178.4	-57.7	0	0	0	0	110.7	K78 F79 I81 I146 G148	C31-K78 CarbonylContact O-C 3.45Å; C31-K78 VanDerWaalsContact O-CA 3.24Å; C31-K78 WeakPolarHBondContact O-CA 3.3Å; C31-F79 WeakPolarHBondContact CA-O 3.24Å; C31-F79 HydrophobicContact CB-CD1 4.19Å; C31-F79 HydrophobicContact CB-CD2 4.43Å; C31-F79 HydrophobicContact CB-CE1 3.78Å; C31-F79 HydrophobicContact CB-CE2 4.11Å; C31-F79 HydrophobicContact CB-CZ 3.8Å; C31-F79 WeakPolarHBondContact CB-O 3.3Å; C31-F79 PolarHBondContact N-O 3.2Å; C31-F79 PolarHBondContact O-N 2.74Å; C31-F79 VanDerWaalsContact O-O 3.12Å; C31-I81 HydrophobicContact CB-CD1 4.11Å; C31-I81 HydrophobicContact CB-CG1 4.16Å; C31-I81 WeakPolarHBondContact SG-CD1 3.34Å; C31-I81 WeakPolarHBondContact SG-CG1 3.5Å; C31-I146 HydrophobicContact CB-CG2 4.15Å; C31-G148 VanDerWaalsContact SG-CA 3.58Å
32	Q	61.9	Low	56	Low	94 Å²	94	50.9 Å²	50.9	44%	0.439	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	120.2	177.7	-174.3	169.3	-9.2	0	0	109.7	N77 K78 N147	Q32-N77 CarbonylContact C-O 3.5Å; Q32-N77 WeakPolarHBondContact CA-O 3.35Å; Q32-N77 HydrophobicContact CG-CB 4.24Å; Q32-K78 HydrophobicContact CG-CG 4.48Å; Q32-N147 PolarHBondContact N-O 2.97Å
33	L	61.3	Low	56.1	Low	8 Å²	8	51.3 Å²	51.3	4%	0.042	26%	0.256	C	S	.	.			trans	-66.3	133.1	173.5	-87.2	118.5	0	0	0	110.9	S35 I40 I43 N77 F79	L33-S35 PolarHBondContact O-N 3.29Å; L33-I40 HydrophobicContact CD2-CG1 3.82Å; L33-I43 HydrophobicContact CD1-CD1 3.99Å; L33-I43 HydrophobicContact CD1-CG2 4.28Å; L33-I43 HydrophobicContact CD2-CD1 3.86Å; L33-I43 HydrophobicContact CG-CD1 4.31Å; L33-N77 HydrophobicContact CB-CB 4.11Å; L33-N77 PolarHBondContact N-O 2.96Å; L33-N77 PolarHBondContact O-ND2 3.38Å; L33-F79 HydrophobicContact CB-CE1 4.45Å; L33-F79 HydrophobicContact CD1-CD1 3.36Å; L33-F79 HydrophobicContact CD1-CE1 3.08Å; L33-F79 HydrophobicContact CD1-CG 4.38Å; L33-F79 HydrophobicContact CD1-CZ 3.89Å; L33-F79 HydrophobicContact CG-CD1 4.3Å; L33-F79 HydrophobicContact CG-CE1 3.59Å; L33-F79 HydrophobicContact CG-CZ 4.28Å
34	P	57	Low	56	Low	37 Å²	37	52 Å²	52	24%	0.24	26%	0.263	C	S	.	.			trans	-54.3	136.1	165.7	-22.4	32.3	0	0	0	110.1	N36 S37	P34-N36 VanDerWaalsContact CB-OD1 3.26Å; P34-N36 WeakPolarHBondContact CB-OD1 3.46Å; P34-N36 PolarHBondContact O-N 3.21Å; P34-S37 WeakPolarHBondContact O-CB 3.3Å; P34-S37 PolarHBondContact O-N 3.43Å
35	S	61.7	Low	55.6	Low	103 Å²	103	54.3 Å²	54.3	72%	0.72	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-14.4	-175.6	-50	0	0	0	0	114.5	L33	L33-S35 PolarHBondContact O-N 3.29Å
36	N	59.6	Low	54.9	Low	142 Å²	142	59.4 Å²	59.4	76%	0.759	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.7	7.9	-178.9	61.9	-16.1	0	0	0	113.9	P34 R38	P34-N36 VanDerWaalsContact CB-OD1 3.26Å; P34-N36 WeakPolarHBondContact CB-OD1 3.46Å; P34-N36 PolarHBondContact O-N 3.21Å; N36-R38 PolarHBondContact O-N 3.38Å
37	S	54.4	Low	54.4	Low	12 Å²	12	62.2 Å²	62.2	8%	0.084	32%	0.32	C	S	.	.			trans	-71.5	125	-176.7	175	0	0	0	0	112.3	P34 T39 I40	P34-S37 WeakPolarHBondContact O-CB 3.3Å; P34-S37 PolarHBondContact O-N 3.43Å; S37-T39 PolarHBondContact O-N 2.62Å; S37-T39 VanDerWaalsContact OG-CB 3.3Å; S37-T39 WeakPolarHBondContact OG-CB 3.31Å; S37-T39 PolarHBondContact OG-N 3.29Å; S37-T39 PolarHBondContact OG-OG1 2.9Å; S37-I40 VanDerWaalsContact O-CD1 3.3Å; S37-I40 WeakPolarHBondContact O-CD1 3.41Å; S37-I40 VanDerWaalsContact O-CG1 3.22Å; S37-I40 WeakPolarHBondContact O-CG1 3.22Å; S37-I40 PolarHBondContact O-N 3.45Å
38	R	53.6	Low	53.1	Low	232 Å²	232	70.1 Å²	70.1	88%	0.875	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-17.6	172.8	-67	-176.1	179.8	-174.7	0.6	112.5	N36 I40	N36-R38 PolarHBondContact O-N 3.38Å; R38-I40 PolarHBondContact O-N 3.28Å
39	T	52.4	Low	51.8	Low	2 Å²	2	76.4 Å²	76.4	1%	0.012	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-13.2	-179.1	-29.6	0	0	0	0	112.4	S37 H41 Q42 I43 T144	S37-T39 PolarHBondContact O-N 2.62Å; S37-T39 VanDerWaalsContact OG-CB 3.3Å; S37-T39 WeakPolarHBondContact OG-CB 3.31Å; S37-T39 PolarHBondContact OG-N 3.29Å; S37-T39 PolarHBondContact OG-OG1 2.9Å; T39-H41 PolarHBondContact O-N 2.91Å; T39-H41 VanDerWaalsContact O-N 3.14Å; T39-Q42 HydrophobicContact CG2-CB 4.41Å; T39-Q42 PolarHBondContact O-N 3.14Å; T39-I43 HydrophobicContact CG2-CD1 3.81Å; T39-I43 HydrophobicContact CG2-CG1 4.06Å; T39-I43 PolarHBondContact O-N 3.45Å; T39-T144 WeakPolarHBondContact OG1-CB 3.26Å; T39-T144 WeakPolarHBondContact OG1-CG2 3.28Å; T39-T144 PolarHBondContact OG1-OG1 3.39Å
40	I	50.9	Low	50.8	Low	60 Å²	60	81.1 Å²	81.1	31%	0.308	40%	0.399	S	S	.	.	H	α-helix	trans	-52.5	-35.9	174.4	-66.1	169.6	0	0	0	111.1	L33 S37 R38 S44	L33-I40 HydrophobicContact CD2-CG1 3.82Å; S37-I40 VanDerWaalsContact O-CD1 3.3Å; S37-I40 WeakPolarHBondContact O-CD1 3.41Å; S37-I40 VanDerWaalsContact O-CG1 3.22Å; S37-I40 WeakPolarHBondContact O-CG1 3.22Å; S37-I40 PolarHBondContact O-N 3.45Å; R38-I40 PolarHBondContact O-N 3.28Å; I40-S44 VanDerWaalsContact O-CB 3.31Å; I40-S44 WeakPolarHBondContact O-CB 3.43Å; I40-S44 PolarHBondContact O-N 3.46Å; I40-S44 PolarHBondContact O-OG 2.62Å
41	H	48.2	Very low	49.7	Very low	165 Å²	165	86.2 Å²	86.2	76%	0.764	42%	0.419	S	S	*	.	H	α-helix	trans	-74.8	-23.4	177.5	-74.4	-67.6	0	0	0	114.5	T39 S44	T39-H41 PolarHBondContact O-N 2.91Å; T39-H41 VanDerWaalsContact O-N 3.14Å; H41-S44 WeakPolarHBondContact CA-OG 3.04Å; H41-S44 PolarHBondContact O-OG 2.84Å
42	Q	49.1	Very low	48.7	Very low	109 Å²	109	90.9 Å²	90.9	51%	0.509	45%	0.448	S	S	.	.	H	α-helix	trans	-87.7	-38.5	176.6	-69.1	179.9	-26.6	0	0	111	T39 S45	T39-Q42 HydrophobicContact CG2-CB 4.41Å; T39-Q42 PolarHBondContact O-N 3.14Å; Q42-S45 WeakPolarHBondContact O-CB 3.3Å; Q42-S45 PolarHBondContact O-N 3.19Å; Q42-S45 PolarHBondContact O-OG 3.39Å
43	I	51.5	Low	47.3	Very low	11 Å²	11	91.7 Å²	91.7	6%	0.056	46%	0.456	C	S	.	.	H	α-helix	trans	-78.6	-21.8	179.6	-64.1	169.7	0	0	0	112.2	L33 T39 S45 L46 Q47 F79 I146	L33-I43 HydrophobicContact CD1-CD1 3.99Å; L33-I43 HydrophobicContact CD1-CG2 4.28Å; L33-I43 HydrophobicContact CD2-CD1 3.86Å; L33-I43 HydrophobicContact CG-CD1 4.31Å; T39-I43 HydrophobicContact CG2-CD1 3.81Å; T39-I43 HydrophobicContact CG2-CG1 4.06Å; T39-I43 PolarHBondContact O-N 3.45Å; I43-S45 PolarHBondContact O-N 3.22Å; I43-L46 HydrophobicContact CB-CD1 4.47Å; I43-L46 HydrophobicContact CG1-CD1 4.33Å; I43-L46 HydrophobicContact CG2-CB 4.4Å; I43-L46 HydrophobicContact CG2-CD1 4.15Å; I43-L46 WeakPolarHBondContact O-CA 3.44Å; I43-L46 VanDerWaalsContact O-CB 3.28Å; I43-L46 WeakPolarHBondContact O-CB 2.98Å; I43-L46 PolarHBondContact O-N 3.45Å; I43-Q47 PolarHBondContact O-N 3.21Å; I43-F79 HydrophobicContact CD1-CE2 4.48Å; I43-F79 HydrophobicContact CD1-CZ 4.19Å; I43-I146 HydrophobicContact CD1-CD1 3.97Å
44	S	46	Very low	46.1	Very low	37 Å²	37	96.7 Å²	96.7	26%	0.259	49%	0.487	S	S	.	.	H	α-helix	trans	-64.5	-8	170.7	37.8	0	0	0	0	113.7	I40 H41	I40-S44 VanDerWaalsContact O-CB 3.31Å; I40-S44 WeakPolarHBondContact O-CB 3.43Å; I40-S44 PolarHBondContact O-N 3.46Å; I40-S44 PolarHBondContact O-OG 2.62Å; H41-S44 WeakPolarHBondContact CA-OG 3.04Å; H41-S44 PolarHBondContact O-OG 2.84Å
45	S	44.4	Very low	45	Very low	61 Å²	61	100.5 Å²	100.5	43%	0.427	51%	0.509	S	S	.	.	H	α-helix	trans	-74.1	-35.2	162.7	68.7	0	0	0	0	112.7	Q42 I43 R48 F49	Q42-S45 WeakPolarHBondContact O-CB 3.3Å; Q42-S45 PolarHBondContact O-N 3.19Å; Q42-S45 PolarHBondContact O-OG 3.39Å; I43-S45 PolarHBondContact O-N 3.22Å; S45-R48 WeakPolarHBondContact O-CB 3.41Å; S45-R48 PolarHBondContact O-N 2.73Å; S45-F49 WeakPolarHBondContact O-CD2 3.36Å
46	L	40.7	Very low	43.4	Very low	107 Å²	107	102.1 Å²	102.1	56%	0.56	52%	0.517	S	S	*	.	H	α-helix	trans	-72.2	-40.3	177	-67.7	161.7	0	0	0	112.2	I43 R48 F49	I43-L46 HydrophobicContact CB-CD1 4.47Å; I43-L46 HydrophobicContact CG1-CD1 4.33Å; I43-L46 HydrophobicContact CG2-CB 4.4Å; I43-L46 HydrophobicContact CG2-CD1 4.15Å; I43-L46 WeakPolarHBondContact O-CA 3.44Å; I43-L46 VanDerWaalsContact O-CB 3.28Å; I43-L46 WeakPolarHBondContact O-CB 2.98Å; I43-L46 PolarHBondContact O-N 3.45Å; L46-R48 PolarHBondContact O-N 2.77Å; L46-F49 PolarHBondContact O-N 2.8Å
47	Q	43.7	Very low	42.2	Very low	62 Å²	62	100.2 Å²	100.2	29%	0.29	52%	0.515	S	S	.	.	H	α-helix	trans	-62.9	-27.5	173.8	-81.7	178.1	-28.3	0	0	112.7	I43 F49 Q50 Q51 N76	I43-Q47 PolarHBondContact O-N 3.21Å; Q47-F49 PolarHBondContact O-N 2.77Å; Q47-Q50 PolarHBondContact O-N 3.45Å; Q47-Q51 PolarHBondContact O-N 2.77Å; Q47-N76 PolarHBondContact NE2-O 2.86Å
48	R	34.2	Very low	41.1	Very low	171 Å²	171	105.6 Å²	105.6	65%	0.645	55%	0.548	S	S	*	.	H	α-helix	trans	-68.5	-24.2	179	-136.5	-179	-62.8	-166.6	1.6	112.8	S45 L46 T52	S45-R48 WeakPolarHBondContact O-CB 3.41Å; S45-R48 PolarHBondContact O-N 2.73Å; L46-R48 PolarHBondContact O-N 2.77Å; R48-T52 WeakPolarHBondContact O-CG2 3.42Å
49	F	34.5	Very low	40	Very low	141 Å²	141	100 Å²	100	62%	0.618	54%	0.539	S	S	*	.	H	α-helix	trans	-76.4	-23.1	174.8	-82.1	-83.4	0	0	0	113.4	S45 L46 Q47 T52	S45-F49 WeakPolarHBondContact O-CD2 3.36Å; L46-F49 PolarHBondContact O-N 2.8Å; Q47-F49 PolarHBondContact O-N 2.77Å; F49-T52 PolarHBondContact O-OG1 3.22Å
50	Q	39.4	Very low	39.1	Very low	103 Å²	103	106.8 Å²	106.8	48%	0.481	57%	0.574	S	S	.	*	H	α-helix	trans	-86.5	-21	178.8	-69.4	-176.3	-37.3	0	0	113.3	Q47 S201	Q47-Q50 PolarHBondContact O-N 3.45Å; Q50-S201 PolarHBondContact NE2-OG 3.33Å
51	Q	40.3	Very low	38.3	Very low	152 Å²	152	109.9 Å²	109.9	71%	0.71	60%	0.598	S	S	*	*	H	α-helix	trans	-90.9	-10.9	-179.2	-74.7	179	-3.9	0	0	114.4	Q47 N53	Q47-Q51 PolarHBondContact O-N 2.77Å; Q51-N53 VanDerWaalsContact C-N 3.33Å; Q51-N53 PolarHBondContact O-N 2.9Å
52	T	37	Very low	37.5	Very low	99 Å²	99	107 Å²	107	61%	0.607	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	-0.5	-176	47.5	0	0	0	0	115.2	R48 F49	R48-T52 WeakPolarHBondContact O-CG2 3.42Å; F49-T52 PolarHBondContact O-OG1 3.22Å
53	N	34.3	Very low	36.8	Very low	112 Å²	112	106.6 Å²	106.6	60%	0.599	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.9	14.9	-172.8	-73	-1	0	0	0	115.5	Q51	Q51-N53 VanDerWaalsContact C-N 3.33Å; Q51-N53 PolarHBondContact O-N 2.9Å
54	T	35.1	Very low	35.8	Very low	113 Å²	113	113 Å²	113	69%	0.693	64%	0.639	S	S	*	*	S	Bend	trans	-111.9	97.9	173.9	56.3	0	0	0	0	111.7
55	T	33	Very low	34.9	Very low	117 Å²	117	118 Å²	118	72%	0.718	66%	0.663	S	S	*	*			trans	50.7	121.4	151.6	41.7	0	0	0	0	119.8	S57	T55-S57 PolarHBondContact O-N 2.92Å; T55-S57 VanDerWaalsContact O-N 3.1Å
56	P	28.6	Very low	34.1	Very low	136 Å²	136	124.8 Å²	124.8	88%	0.883	69%	0.685	S	S	*	*			trans	-79.5	94.5	167.2	33.1	-27.8	0	0	0	108.7
57	S	34.8	Very low	33.4	Very low	103 Å²	103	124.2 Å²	124.2	72%	0.72	70%	0.696	S	S	*	*			trans	-110.4	97.1	167	63.9	0	0	0	0	110.2	T55	T55-S57 PolarHBondContact O-N 2.92Å; T55-S57 VanDerWaalsContact O-N 3.1Å
58	T	30.6	Very low	32.8	Very low	125 Å²	125	126 Å²	126	77%	0.767	72%	0.715	S	S	*	*			trans	-29	122.9	154.1	-30.7	0	0	0	0	112.5
59	T	31.6	Very low	32.5	Very low	113 Å²	113	126.4 Å²	126.4	69%	0.693	73%	0.729	S	S	*	*				161.2	117.7	120.6	33.2	0	0	0	0	114.4
60	I	34	Very low	32.2	Very low	145 Å²	145	124.1 Å²	124.1	74%	0.744	73%	0.73	S	S	*	*			trans	64.2	120.4	136.8	-46.1	161.7	0	0	0	119.1
61	P	33.9	Very low	31.8	Very low	126 Å²	126	124.4 Å²	124.4	82%	0.818	74%	0.744	S	S	*	*			trans	-95.3	128.6	171.8	35.2	-26.3	0	0	0	111.6
62	S	31.5	Very low	31.4	Very low	103 Å²	103	125.3 Å²	125.3	72%	0.72	75%	0.75	S	S	*	*			trans	-160.7	123.8	156.4	50.3	0	0	0	0	113.8
63	S	33.5	Very low	31.4	Very low	101 Å²	101	125.4 Å²	125.4	71%	0.706	75%	0.747	S	S	*	*			trans	80.2	116.1	143	75.9	0	0	0	0	121.2
64	L	30.6	Very low	31.8	Very low	146 Å²	146	126.1 Å²	126.1	76%	0.764	75%	0.751	S	S	*	*				72.4	109.5	128.7	-63.7	160.8	0	0	0	119.9
65	N	28.3	Very low	32.4	Very low	141 Å²	141	124.5 Å²	124.5	75%	0.754	74%	0.738	S	S	*	*				64.1	102.9	127.9	-56.8	-11.8	0	0	0	119.1
66	K	27.6	Very low	33.4	Very low	204 Å²	204	124 Å²	124	89%	0.887	73%	0.731	S	S	*	*				-166.6	129.8	118.1	-122.1	169.9	178.6	173.7	0	111.7	S68	K66-S68 PolarHBondContact O-N 2.82Å
67	A	24.9	Very low	34.8	Very low	96 Å²	96	118.9 Å²	118.9	79%	0.793	70%	0.696	S	S	*	*			trans	-56.2	121	169.6	0	0	0	0	0	111.1
68	S	30.9	Very low	36.1	Very low	100 Å²	100	119 Å²	119	70%	0.699	68%	0.684	S	S	*	*			trans	-127.8	78.1	154	48.9	0	0	0	0	108.1	K66 S70	K66-S68 PolarHBondContact O-N 2.82Å; S68-S70 PolarHBondContact O-N 2.74Å
69	L	28.6	Very low	37.4	Very low	179 Å²	179	114.1 Å²	114.1	94%	0.937	65%	0.652	S	S	*	*			trans	-65.3	81.5	155	-98.9	84.3	0	0	0	107.5
70	S	28	Very low	38.7	Very low	92 Å²	92	113 Å²	113	64%	0.643	64%	0.639	S	S	*	*	S	Bend	trans	-161.5	114.6	167.2	56.3	0	0	0	0	109.1	S68	S68-S70 PolarHBondContact O-N 2.74Å
71	S	31.5	Very low	39.8	Very low	110 Å²	110	107.2 Å²	107.2	77%	0.769	61%	0.609	S	S	*	*			trans	75.1	65	171.3	-148.8	0	0	0	0	115.8	N73	S71-N73 PolarHBondContact O-N 3.39Å
72	M	32	Very low	41	Very low	171 Å²	171	103.3 Å²	103.3	84%	0.842	58%	0.584	S	S	*	*			trans	-66.4	95.5	148.3	-84.2	-172.6	76.5	0	0	106.6	N74	M72-N74 PolarHBondContact O-N 2.77Å; M72-N74 VanDerWaalsContact O-N 3.16Å
73	N	36.1	Very low	42.2	Very low	101 Å²	101	100.7 Å²	100.7	54%	0.54	56%	0.564	S	S	.	*			trans	-45.3	118.3	176.8	-151.6	1	0	0	0	108.8	S71 N75	S71-N73 PolarHBondContact O-N 3.39Å; N73-N75 PolarHBondContact ND2-ND2 3.46Å; N73-N75 PolarHBondContact O-N 2.81Å; N73-N75 PolarHBondContact OD1-ND2 2.96Å
74	N	42.6	Very low	43.1	Very low	126 Å²	126	98 Å²	98	67%	0.674	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	19.8	-174	-127.6	-0.9	0	0	0	113.4	M72	M72-N74 PolarHBondContact O-N 2.77Å; M72-N74 VanDerWaalsContact O-N 3.16Å
75	N	48.1	Very low	44.1	Very low	79 Å²	79	92.5 Å²	92.5	42%	0.422	52%	0.515	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-9.6	-172.3	-62.5	-9.7	0	0	0	112.7	N73 N77 K78	N73-N75 PolarHBondContact ND2-ND2 3.46Å; N73-N75 PolarHBondContact O-N 2.81Å; N73-N75 PolarHBondContact OD1-ND2 2.96Å; N75-N77 PolarHBondContact O-N 3.24Å; N75-K78 PolarHBondContact O-N 3.33Å
76	N	53.5	Low	45.3	Very low	107 Å²	107	89.3 Å²	89.3	57%	0.572	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-12.3	179.1	-79.2	3.2	0	0	0	114	Q47	Q47-N76 PolarHBondContact NE2-O 2.86Å
77	N	59.2	Low	46.7	Very low	29 Å²	29	80.1 Å²	80.1	16%	0.155	46%	0.46	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-3.3	178.6	-65.2	6.6	0	0	0	112.8	Q32 L33 N75	Q32-N77 CarbonylContact C-O 3.5Å; Q32-N77 WeakPolarHBondContact CA-O 3.35Å; Q32-N77 HydrophobicContact CG-CB 4.24Å; L33-N77 HydrophobicContact CB-CB 4.11Å; L33-N77 PolarHBondContact N-O 2.96Å; L33-N77 PolarHBondContact O-ND2 3.38Å; N75-N77 PolarHBondContact O-N 3.24Å
78	K	60.7	Low	48	Very low	106 Å²	106	80 Å²	80	46%	0.461	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	131.3	177.9	-65.4	-173.2	-179.7	-176.2	0	110.3	C31 Q32 N75	C31-K78 CarbonylContact O-C 3.45Å; C31-K78 VanDerWaalsContact O-CA 3.24Å; C31-K78 WeakPolarHBondContact O-CA 3.3Å; Q32-K78 HydrophobicContact CG-CG 4.48Å; N75-K78 PolarHBondContact O-N 3.33Å
79	F	57.3	Low	48.9	Very low	21 Å²	21	82.1 Å²	82.1	9%	0.092	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	155.5	176.1	65.3	-73	0	0	0	109	C31 L33 I43 I81 I146	C31-F79 WeakPolarHBondContact CA-O 3.24Å; C31-F79 HydrophobicContact CB-CD1 4.19Å; C31-F79 HydrophobicContact CB-CD2 4.43Å; C31-F79 HydrophobicContact CB-CE1 3.78Å; C31-F79 HydrophobicContact CB-CE2 4.11Å; C31-F79 HydrophobicContact CB-CZ 3.8Å; C31-F79 WeakPolarHBondContact CB-O 3.3Å; C31-F79 PolarHBondContact N-O 3.2Å; C31-F79 PolarHBondContact O-N 2.74Å; C31-F79 VanDerWaalsContact O-O 3.12Å; L33-F79 HydrophobicContact CB-CE1 4.45Å; L33-F79 HydrophobicContact CD1-CD1 3.36Å; L33-F79 HydrophobicContact CD1-CE1 3.08Å; L33-F79 HydrophobicContact CD1-CG 4.38Å; L33-F79 HydrophobicContact CD1-CZ 3.89Å; L33-F79 HydrophobicContact CG-CD1 4.3Å; L33-F79 HydrophobicContact CG-CE1 3.59Å; L33-F79 HydrophobicContact CG-CZ 4.28Å; I43-F79 HydrophobicContact CD1-CE2 4.48Å; I43-F79 HydrophobicContact CD1-CZ 4.19Å; F79-I81 HydrophobicContact CD2-CG1 4.01Å; F79-I81 HydrophobicContact CE2-CD1 3.73Å; F79-I81 HydrophobicContact CE2-CG1 3.5Å; F79-I81 VanDerWaalsContact CE2-CG1 3.5Å; F79-I81 HydrophobicContact CZ-CD1 4.16Å; F79-I81 HydrophobicContact CZ-CG1 4.34Å; F79-I146 HydrophobicContact CE1-CG2 4.03Å; F79-I146 HydrophobicContact CE2-CG2 4.49Å; F79-I146 HydrophobicContact CZ-CD1 4Å; F79-I146 HydrophobicContact CZ-CG2 3.47Å; F79-I146 VanDerWaalsContact CZ-CG2 3.47Å
80	H	60.9	Low	50	Low	91 Å²	91	77.9 Å²	77.9	42%	0.421	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	133.7	177.6	-62	-76.5	0	0	0	110.1	I28 S29 T30	I28-H80 HydrophobicContact CG2-CB 3.95Å; S29-H80 CarbonylContact O-C 3.54Å; S29-H80 VanDerWaalsContact O-CA 3.23Å; S29-H80 WeakPolarHBondContact O-CA 3.26Å; T30-H80 PolarHBondContact OG1-CE1 2.79Å; T30-H80 PolarHBondContact OG1-ND1 3.4Å
81	I	56.9	Low	51.1	Low	23 Å²	23	78.5 Å²	78.5	12%	0.118	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	126.7	166.7	-66.6	-178.7	0	0	0	107.4	S29 C31 F79 F139 I141 I146	S29-I81 PolarHBondContact N-O 3.24Å; S29-I81 PolarHBondContact O-N 2.87Å; C31-I81 HydrophobicContact CB-CD1 4.11Å; C31-I81 HydrophobicContact CB-CG1 4.16Å; C31-I81 WeakPolarHBondContact SG-CD1 3.34Å; C31-I81 WeakPolarHBondContact SG-CG1 3.5Å; F79-I81 HydrophobicContact CD2-CG1 4.01Å; F79-I81 HydrophobicContact CE2-CD1 3.73Å; F79-I81 HydrophobicContact CE2-CG1 3.5Å; F79-I81 VanDerWaalsContact CE2-CG1 3.5Å; F79-I81 HydrophobicContact CZ-CD1 4.16Å; F79-I81 HydrophobicContact CZ-CG1 4.34Å; I81-F139 HydrophobicContact CB-CZ 4.37Å; I81-F139 HydrophobicContact CD1-CB 4.2Å; I81-F139 HydrophobicContact CD1-CD1 4.29Å; I81-F139 HydrophobicContact CD1-CD2 3.6Å; I81-F139 HydrophobicContact CD1-CE2 3.94Å; I81-F139 HydrophobicContact CD1-CG 3.78Å; I81-F139 HydrophobicContact CD1-CZ 4.41Å; I81-F139 HydrophobicContact CG2-CD1 4.31Å; I81-F139 HydrophobicContact CG2-CE1 3.92Å; I81-F139 HydrophobicContact CG2-CZ 4.03Å; I81-I141 HydrophobicContact CD1-CD1 4.28Å; I81-I146 HydrophobicContact CD1-CG2 4.25Å
82	C	58.9	Low	52.2	Low	43 Å²	43	74.7 Å²	74.7	29%	0.291	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	125.7	171.9	174.5	0	0	0	0	108.8	I26 L27	I26-C82 WeakPolarHBondContact CG2-SG 3.29Å; L27-C82 CarbonylContact O-C 3.58Å; L27-C82 VanDerWaalsContact O-CA 3.27Å; L27-C82 WeakPolarHBondContact O-CA 3.48Å
83	V	56.3	Low	53.3	Low	49 Å²	49	67.6 Å²	67.6	30%	0.297	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	103.2	162.8	-178	0	0	0	0	107.2	L27 V85 F139	L27-V83 HydrophobicContact CB-CB 4.24Å; L27-V83 PolarHBondContact N-O 3.27Å; L27-V83 PolarHBondContact O-N 2.86Å; V83-V85 HydrophobicContact CG1-CG2 4.37Å; V83-F139 HydrophobicContact CG2-CE1 4.37Å
84	T	53.1	Low	54.3	Low	45 Å²	45	67.2 Å²	67.2	28%	0.276	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	122.4	170.5	-80.6	0	0	0	0	108.8	E24 V86	E24-T84 HydrophobicContact CG-CG2 3.57Å; E24-T84 WeakPolarHBondContact OE1-CB 3.46Å; E24-T84 WeakPolarHBondContact OE1-CG2 3.13Å; E24-T84 PolarHBondContact OE1-OG1 3.36Å; T84-V86 HydrophobicContact CG2-CG2 3.65Å
85	V	51.6	Low	55	Low	29 Å²	29	63.7 Å²	63.7	18%	0.176	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	103	166.1	-176.2	0	0	0	0	107.8	E24 A25 V83 R87 I123 L127	E24-V85 CarbonylContact C-O 3.55Å; E24-V85 VanDerWaalsContact CA-O 3.3Å; E24-V85 WeakPolarHBondContact CA-O 3.3Å; A25-V85 PolarHBondContact N-O 2.98Å; A25-V85 PolarHBondContact O-N 3.03Å; V83-V85 HydrophobicContact CG1-CG2 4.37Å; V85-R87 PolarHBondContact O-N 3.32Å; V85-I123 HydrophobicContact CB-CG2 3.72Å; V85-I123 HydrophobicContact CG1-CG2 3.63Å; V85-I123 HydrophobicContact CG2-CB 4.49Å; V85-I123 HydrophobicContact CG2-CD1 3.99Å; V85-I123 HydrophobicContact CG2-CG2 3.93Å; V85-L127 HydrophobicContact CG2-CD2 3.96Å
86	V	52.6	Low	55.4	Low	74 Å²	74	60 Å²	60	45%	0.448	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	118.9	170.7	-174.8	0	0	0	0	107.7	L23 E24 T84	L23-V86 CarbonylContact O-C 3.37Å; L23-V86 VanDerWaalsContact O-CA 3.24Å; L23-V86 WeakPolarHBondContact O-CA 3.08Å; L23-V86 WeakPolarHBondContact O-CG1 3.35Å; E24-V86 HydrophobicContact CG-CG2 4.21Å; T84-V86 HydrophobicContact CG2-CG2 3.65Å
87	R	56.3	Low	55.5	Low	11 Å²	11	58.7 Å²	58.7	4%	0.042	31%	0.313	C	S	.	.			trans	-87	130.6	173.7	-49.1	-164.8	-157.3	167.4	6.9	109.1	L22 L23 V85 F90 P91 L92	L22-R87 VanDerWaalsContact CB-NH2 3.27Å; L22-R87 VanDerWaalsContact O-CB 3.3Å; L22-R87 WeakPolarHBondContact O-CB 2.87Å; L22-R87 WeakPolarHBondContact O-CD 3.33Å; L23-R87 PolarHBondContact O-N 2.86Å; V85-R87 PolarHBondContact O-N 3.32Å; R87-F90 PolarHBondContact NH1-O 3.44Å; R87-P91 PolarHBondContact NH1-O 2.99Å; R87-L92 VanDerWaalsContact NH1-CA 3.34Å
88	D	51.9	Low	55.3	Low	95 Å²	95	65.1 Å²	65.1	51%	0.508	34%	0.34	S	S	.	.	S	Bend	trans	-111.6	116.1	154.3	-146.4	2	0	0	0	105.9	R17 F90	R17-D88 IonicContact NH1-OD1 2.9Å; D88-F90 VanDerWaalsContact O-CD2 3.32Å; D88-F90 WeakPolarHBondContact O-CD2 3.34Å
89	Q	51.5	Low	55	Low	143 Å²	143	63.2 Å²	63.2	67%	0.668	34%	0.335	S	S	*	.	S	Bend	trans	58.7	48.8	169.4	-56.3	168.2	36.9	0	0	117.3
90	F	50.8	Low	54.8	Low	90 Å²	90	64 Å²	64	40%	0.395	34%	0.337	S	S	.	.			trans	-123.6	139.3	170.4	-69.6	-68.6	0	0	0	113.3	R87 D88 P125 V126	R87-F90 PolarHBondContact NH1-O 3.44Å; D88-F90 VanDerWaalsContact O-CD2 3.32Å; D88-F90 WeakPolarHBondContact O-CD2 3.34Å; F90-P125 HydrophobicContact CD1-CG 3.6Å; F90-P125 HydrophobicContact CE1-CG 3.33Å; F90-P125 HydrophobicContact CG-CG 4.37Å; F90-P125 HydrophobicContact CZ-CG 3.9Å; F90-V126 HydrophobicContact CE2-CG2 4.44Å
91	P	51.3	Low	54.5	Low	105 Å²	105	63.8 Å²	63.8	68%	0.682	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-60.6	149	179.8	26.5	-34	0	0	0	111.3	R87	R87-P91 PolarHBondContact NH1-O 2.99Å
92	L	53.9	Low	54.4	Low	31 Å²	31	66.8 Å²	66.8	16%	0.162	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-54.2	139.6	168.7	-93.9	120.5	0	0	0	110.5	R87 W96 N97 Y100	R87-L92 VanDerWaalsContact NH1-CA 3.34Å; L92-W96 HydrophobicContact CD2-CB 3.92Å; L92-W96 HydrophobicContact CD2-CE3 4.23Å; L92-N97 WeakPolarHBondContact CB-OD1 3.44Å; L92-Y100 HydrophobicContact CD2-CD2 3.78Å; L92-Y100 HydrophobicContact CD2-CE1 4.17Å; L92-Y100 HydrophobicContact CD2-CE2 3.55Å; L92-Y100 HydrophobicContact CD2-CG 4.36Å
93	D	56.5	Low	54.1	Low	21 Å²	21	72.8 Å²	72.8	11%	0.112	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-54	133.2	173.5	-170.7	-69.5	0	0	0	109.2	Q95 W96 N97 T122	D93-Q95 HydrophobicContact CB-CG 4.29Å; D93-Q95 PolarHBondContact O-N 2.92Å; D93-Q95 VanDerWaalsContact O-N 3.09Å; D93-Q95 WeakPolarHBondContact OD1-CB 3.27Å; D93-Q95 WeakPolarHBondContact OD1-CG 3.44Å; D93-Q95 PolarHBondContact OD1-N 3.28Å; D93-W96 HydrophobicContact CB-CD2 3.92Å; D93-W96 HydrophobicContact CB-CE3 3.71Å; D93-W96 HydrophobicContact CB-CG 4.28Å; D93-W96 HydrophobicContact CB-CZ3 4.23Å; D93-W96 WeakPolarHBondContact O-CA 2.9Å; D93-W96 VanDerWaalsContact O-CB 3.27Å; D93-W96 WeakPolarHBondContact O-CB 3.27Å; D93-W96 PolarHBondContact O-N 3.04Å; D93-N97 PolarHBondContact O-N 3.18Å; D93-N97 VanDerWaalsContact O-N 3.12Å; D93-T122 VanDerWaalsContact OD2-CB 3.3Å; D93-T122 WeakPolarHBondContact OD2-CB 3.38Å
94	P	57	Low	53.8	Low	93 Å²	93	74.7 Å²	74.7	60%	0.604	39%	0.388	S	S	*	.	H	α-helix	trans	-55	-28.6	179.6	-26.9	34.9	0	0	0	114.4	W96 N97	P94-W96 PolarHBondContact O-N 2.78Å; P94-N97 PolarHBondContact O-N 3.05Å
95	Q	55.8	Low	53.5	Low	53 Å²	53	73.8 Å²	73.8	25%	0.248	38%	0.379	C	S	.	.	H	α-helix	trans	-62.1	-33.3	174.6	87.8	-176.3	-20.9	0	0	111.1	D93	D93-Q95 HydrophobicContact CB-CG 4.29Å; D93-Q95 PolarHBondContact O-N 2.92Å; D93-Q95 VanDerWaalsContact O-N 3.09Å; D93-Q95 WeakPolarHBondContact OD1-CB 3.27Å; D93-Q95 WeakPolarHBondContact OD1-CG 3.44Å; D93-Q95 PolarHBondContact OD1-N 3.28Å
96	W	57.8	Low	53.4	Low	1 Å²	1	77.6 Å²	77.6	0%	0.004	40%	0.398	C	S	.	.	H	α-helix	trans	-80.1	-42.6	179.9	-68.4	-19.7	0	0	0	109.9	A25 L92 D93 P94 K98 L99 Y100 I114 I121 V158	A25-W96 HydrophobicContact CB-CH2 4.28Å; L92-W96 HydrophobicContact CD2-CB 3.92Å; L92-W96 HydrophobicContact CD2-CE3 4.23Å; D93-W96 HydrophobicContact CB-CD2 3.92Å; D93-W96 HydrophobicContact CB-CE3 3.71Å; D93-W96 HydrophobicContact CB-CG 4.28Å; D93-W96 HydrophobicContact CB-CZ3 4.23Å; D93-W96 WeakPolarHBondContact O-CA 2.9Å; D93-W96 VanDerWaalsContact O-CB 3.27Å; D93-W96 WeakPolarHBondContact O-CB 3.27Å; D93-W96 PolarHBondContact O-N 3.04Å; P94-W96 PolarHBondContact O-N 2.78Å; W96-K98 PolarHBondContact O-N 3.09Å; W96-L99 WeakPolarHBondContact O-CA 3.39Å; W96-L99 WeakPolarHBondContact O-CB 3.39Å; W96-L99 PolarHBondContact O-N 3.12Å; W96-Y100 HydrophobicContact CB-CD2 4.1Å; W96-Y100 HydrophobicContact CB-CE2 3.71Å; W96-Y100 HydrophobicContact CG-CE2 4.47Å; W96-Y100 WeakPolarHBondContact O-CD2 3.45Å; W96-Y100 PolarHBondContact O-N 3.21Å; W96-I114 HydrophobicContact CD2-CD1 4.38Å; W96-I114 HydrophobicContact CG-CD1 3.88Å; W96-I121 HydrophobicContact CH2-CD1 4.05Å; W96-I121 HydrophobicContact CZ2-CD1 3.42Å; W96-I121 VanDerWaalsContact CZ2-CD1 3.42Å; W96-I121 HydrophobicContact CZ2-CG1 4.32Å; W96-V158 HydrophobicContact CH2-CB 4.46Å; W96-V158 HydrophobicContact CH2-CG1 3.64Å; W96-V158 HydrophobicContact CZ2-CB 3.9Å; W96-V158 HydrophobicContact CZ2-CG1 3.56Å; W96-V158 HydrophobicContact CZ2-CG2 4.38Å
97	N	54.9	Low	53.2	Low	79 Å²	79	78.8 Å²	78.8	42%	0.422	41%	0.41	S	S	.	.	H	α-helix	trans	-46	-32.7	-178.5	-71.8	-17.5	0	0	0	115.4	L92 D93 P94 Y100 S101	L92-N97 WeakPolarHBondContact CB-OD1 3.44Å; D93-N97 PolarHBondContact O-N 3.18Å; D93-N97 VanDerWaalsContact O-N 3.12Å; P94-N97 PolarHBondContact O-N 3.05Å; N97-Y100 PolarHBondContact O-N 3.4Å; N97-S101 PolarHBondContact O-N 3.21Å
98	K	54.5	Low	52.8	Low	165 Å²	165	84.2 Å²	84.2	72%	0.717	43%	0.432	S	S	*	.	H	α-helix	trans	-70.8	-27.3	176.2	-66.3	-176.6	-179.6	179.7	0	114.5	W96 S101	W96-K98 PolarHBondContact O-N 3.09Å; K98-S101 PolarHBondContact O-OG 2.82Å
99	L	54.2	Low	52.6	Low	66 Å²	66	85.8 Å²	85.8	35%	0.346	43%	0.434	S	S	.	.	H	α-helix	trans	-80.9	-28	175.2	-63.3	168.4	0	0	0	111.2	W96 W104 I114	W96-L99 WeakPolarHBondContact O-CA 3.39Å; W96-L99 WeakPolarHBondContact O-CB 3.39Å; W96-L99 PolarHBondContact O-N 3.12Å; L99-W104 HydrophobicContact CB-CZ2 4.27Å; L99-W104 WeakPolarHBondContact O-CZ2 3.5Å; L99-I114 HydrophobicContact CD1-CD1 3.87Å; L99-I114 HydrophobicContact CD1-CG1 4.07Å; L99-I114 HydrophobicContact CD1-CG2 3.76Å
100	Y	54.3	Low	52.5	Low	38 Å²	38	83.5 Å²	83.5	15%	0.149	42%	0.423	C	S	.	.	H	α-helix	trans	-85.2	-11.6	178.4	-66.4	-96.7	0	0	0	113.6	L92 W96 N97 D102 Y105 I114 N160 Y162	L92-Y100 HydrophobicContact CD2-CD2 3.78Å; L92-Y100 HydrophobicContact CD2-CE1 4.17Å; L92-Y100 HydrophobicContact CD2-CE2 3.55Å; L92-Y100 HydrophobicContact CD2-CG 4.36Å; W96-Y100 HydrophobicContact CB-CD2 4.1Å; W96-Y100 HydrophobicContact CB-CE2 3.71Å; W96-Y100 HydrophobicContact CG-CE2 4.47Å; W96-Y100 WeakPolarHBondContact O-CD2 3.45Å; W96-Y100 PolarHBondContact O-N 3.21Å; N97-Y100 PolarHBondContact O-N 3.4Å; Y100-D102 PolarHBondContact O-N 3.29Å; Y100-Y105 AromaticContact CD1-CD1 3.52Å; Y100-Y105 HydrophobicContact CD1-CD1 3.52Å; Y100-Y105 AromaticContact CD1-CD2 3.42Å; Y100-Y105 HydrophobicContact CD1-CD2 3.42Å; Y100-Y105 VanDerWaalsContact CD1-CD2 3.42Å; Y100-Y105 AromaticContact CD1-CE1 3.45Å; Y100-Y105 HydrophobicContact CD1-CE1 3.45Å; Y100-Y105 VanDerWaalsContact CD1-CE1 3.45Å; Y100-Y105 AromaticContact CD1-CE2 3.39Å; Y100-Y105 HydrophobicContact CD1-CE2 3.39Å; Y100-Y105 AromaticContact CD1-CG 3.52Å; Y100-Y105 HydrophobicContact CD1-CG 3.52Å; Y100-Y105 AromaticContact CD1-CZ 3.4Å; Y100-Y105 VanDerWaalsContact CD1-CZ 3.4Å; Y100-Y105 HydrophobicContact CE1-CD1 4.18Å; Y100-Y105 AromaticContact CE1-CD2 3.47Å; Y100-Y105 HydrophobicContact CE1-CD2 3.47Å; Y100-Y105 VanDerWaalsContact CE1-CD2 3.47Å; Y100-Y105 AromaticContact CE1-CE1 3.77Å; Y100-Y105 HydrophobicContact CE1-CE1 3.77Å; Y100-Y105 AromaticContact CE1-CE2 3Å; Y100-Y105 HydrophobicContact CE1-CE2 3Å; Y100-Y105 HydrophobicContact CE1-CG 4.06Å; Y100-Y105 AromaticContact CE1-CZ 3.18Å; Y100-Y105 HydrophobicContact CG-CD1 4.47Å; Y100-Y105 HydrophobicContact CG-CD2 4.32Å; Y100-Y105 HydrophobicContact CG-CG 4.3Å; Y100-Y105 AromaticContact CZ-CE2 3.92Å; Y100-I114 HydrophobicContact CE2-CD1 4.21Å; Y100-N160 PolarHBondContact OH-ND2 2.92Å; Y100-Y162 VanDerWaalsContact CE1-OH 3.23Å; Y100-Y162 WeakPolarHBondContact CE1-OH 3.24Å
101	S	54.1	Low	52.5	Low	85 Å²	85	81.5 Å²	81.5	59%	0.594	42%	0.416	S	S	*	.	S	Bend	trans	-72.9	-19.1	179.3	59.4	0	0	0	0	113.6	N97 K98	N97-S101 PolarHBondContact O-N 3.21Å; K98-S101 PolarHBondContact O-OG 2.82Å
102	D	54.4	Low	52.5	Low	87 Å²	87	78.4 Å²	78.4	47%	0.465	39%	0.394	S	S	.	.	S	Bend	trans	-91.6	131.1	-179	-61.6	-18.4	0	0	0	109.4	Y100 W104 Y105	Y100-D102 PolarHBondContact O-N 3.29Å; D102-W104 HydrophobicContact CB-CG 4.12Å; D102-W104 PolarHBondContact O-N 3.42Å; D102-W104 PolarHBondContact OD2-NE1 2.71Å; D102-Y105 PolarHBondContact O-N 3.13Å
103	Q	52.2	Low	52.4	Low	169 Å²	169	79.1 Å²	79.1	79%	0.79	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-54.9	-16.3	-174.8	-74.7	178.5	-16.5	0	0	114.9	Y105 L106	Q103-Y105 PolarHBondContact O-N 2.56Å; Q103-Y105 VanDerWaalsContact O-N 3.15Å; Q103-L106 PolarHBondContact O-N 2.98Å; Q103-L106 VanDerWaalsContact O-N 3.17Å
104	W	51	Low	52.4	Low	88 Å²	88	79 Å²	79	33%	0.333	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-58.2	-26.2	175.4	67.3	-107.5	0	0	0	112.3	L99 D102 L106 S107 Y108 L112	L99-W104 HydrophobicContact CB-CZ2 4.27Å; L99-W104 WeakPolarHBondContact O-CZ2 3.5Å; D102-W104 HydrophobicContact CB-CG 4.12Å; D102-W104 PolarHBondContact O-N 3.42Å; D102-W104 PolarHBondContact OD2-NE1 2.71Å; W104-L106 VanDerWaalsContact C-N 3.32Å; W104-L106 PolarHBondContact O-N 3.09Å; W104-S107 PolarHBondContact O-N 3.48Å; W104-Y108 HydrophobicContact CE3-CD2 4.31Å; W104-Y108 WeakPolarHBondContact O-CD2 3.48Å; W104-L112 HydrophobicContact CE3-CD1 4.26Å; W104-L112 HydrophobicContact CE3-CD2 4.5Å; W104-L112 HydrophobicContact CH2-CD1 3.67Å; W104-L112 HydrophobicContact CH2-CD2 3.91Å; W104-L112 HydrophobicContact CH2-CG 4.29Å; W104-L112 HydrophobicContact CZ3-CD1 3.22Å; W104-L112 HydrophobicContact CZ3-CD2 3.41Å; W104-L112 VanDerWaalsContact CZ3-CD2 3.41Å; W104-L112 HydrophobicContact CZ3-CG 3.85Å
105	Y	47.8	Very low	52.3	Low	26 Å²	26	78 Å²	78	10%	0.102	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-65.7	-30.7	179	-179.6	-98.9	0	0	0	113.8	Y100 D102 Q103 S107 Y108 L112 Y162	Y100-Y105 AromaticContact CD1-CD1 3.52Å; Y100-Y105 HydrophobicContact CD1-CD1 3.52Å; Y100-Y105 AromaticContact CD1-CD2 3.42Å; Y100-Y105 HydrophobicContact CD1-CD2 3.42Å; Y100-Y105 VanDerWaalsContact CD1-CD2 3.42Å; Y100-Y105 AromaticContact CD1-CE1 3.45Å; Y100-Y105 HydrophobicContact CD1-CE1 3.45Å; Y100-Y105 VanDerWaalsContact CD1-CE1 3.45Å; Y100-Y105 AromaticContact CD1-CE2 3.39Å; Y100-Y105 HydrophobicContact CD1-CE2 3.39Å; Y100-Y105 AromaticContact CD1-CG 3.52Å; Y100-Y105 HydrophobicContact CD1-CG 3.52Å; Y100-Y105 AromaticContact CD1-CZ 3.4Å; Y100-Y105 VanDerWaalsContact CD1-CZ 3.4Å; Y100-Y105 HydrophobicContact CE1-CD1 4.18Å; Y100-Y105 AromaticContact CE1-CD2 3.47Å; Y100-Y105 HydrophobicContact CE1-CD2 3.47Å; Y100-Y105 VanDerWaalsContact CE1-CD2 3.47Å; Y100-Y105 AromaticContact CE1-CE1 3.77Å; Y100-Y105 HydrophobicContact CE1-CE1 3.77Å; Y100-Y105 AromaticContact CE1-CE2 3Å; Y100-Y105 HydrophobicContact CE1-CE2 3Å; Y100-Y105 HydrophobicContact CE1-CG 4.06Å; Y100-Y105 AromaticContact CE1-CZ 3.18Å; Y100-Y105 HydrophobicContact CG-CD1 4.47Å; Y100-Y105 HydrophobicContact CG-CD2 4.32Å; Y100-Y105 HydrophobicContact CG-CG 4.3Å; Y100-Y105 AromaticContact CZ-CE2 3.92Å; D102-Y105 PolarHBondContact O-N 3.13Å; Q103-Y105 PolarHBondContact O-N 2.56Å; Q103-Y105 VanDerWaalsContact O-N 3.15Å; Y105-S107 PolarHBondContact O-N 2.68Å; Y105-Y108 CarbonylContact O-C 3.32Å; Y105-Y108 PolarHBondContact O-N 2.97Å; Y105-L112 HydrophobicContact CD2-CD1 3.63Å; Y105-L112 HydrophobicContact CE2-CD1 3.81Å; Y105-Y162 WeakPolarHBondContact OH-CE2 3.47Å; Y105-Y162 PolarHBondContact OH-OH 3.06Å
106	L	49.3	Very low	52.4	Low	109 Å²	109	75.7 Å²	75.7	57%	0.571	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-65	-24	178.8	-69.3	167.3	0	0	0	112.5	Q103 W104	Q103-L106 PolarHBondContact O-N 2.98Å; Q103-L106 VanDerWaalsContact O-N 3.17Å; W104-L106 VanDerWaalsContact C-N 3.32Å; W104-L106 PolarHBondContact O-N 3.09Å
107	S	48.3	Very low	52.1	Low	100 Å²	100	80.1 Å²	80.1	70%	0.699	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-89.4	-19.9	179.6	-52.7	0	0	0	0	113.2	W104 Y105	W104-S107 PolarHBondContact O-N 3.48Å; Y105-S107 PolarHBondContact O-N 2.68Å
108	Y	47.3	Very low	51.9	Low	125 Å²	125	77.8 Å²	77.8	49%	0.49	41%	0.405	S	S	.	.			trans	-117.6	62.2	179.8	-67.7	-82.5	0	0	0	110	W104 Y105 H110	W104-Y108 HydrophobicContact CE3-CD2 4.31Å; W104-Y108 WeakPolarHBondContact O-CD2 3.48Å; Y105-Y108 CarbonylContact O-C 3.32Å; Y105-Y108 PolarHBondContact O-N 2.97Å; Y108-H110 PolarHBondContact O-N 2.87Å; Y108-H110 VanDerWaalsContact O-N 3.11Å
109	K	48.3	Very low	51.8	Low	127 Å²	127	76 Å²	76	55%	0.552	40%	0.399	S	S	*	.			trans	-63.4	-12	177.4	-75.7	-172.5	176.6	-177.1	0	114	Y162	K109-Y162 WeakPolarHBondContact O-CD2 3.33Å
110	H	48.2	Very low	51.9	Low	95 Å²	95	76.5 Å²	76.5	44%	0.44	40%	0.4	S	S	.	.	S	Bend	trans	-124.9	118.5	-177.3	-52	-70.6	0	0	0	109.3	Y108 D164	Y108-H110 PolarHBondContact O-N 2.87Å; Y108-H110 VanDerWaalsContact O-N 3.11Å; H110-D164 IonicContact CE1-OD1 3.54Å; H110-D164 PolarHBondContact CE1-OD1 2.81Å; H110-D164 IonicContact ND1-OD1 2.77Å; H110-D164 IonicContact NE2-OD1 3.87Å
111	L	51.5	Low	52.1	Low	48 Å²	48	74.7 Å²	74.7	25%	0.251	39%	0.392	S	S	.	.			trans	72.7	54.3	152.4	-53.9	161.2	0	0	0	117.2	S113 H159 I161 I203	L111-S113 PolarHBondContact O-N 3.21Å; L111-H159 HydrophobicContact CD2-CB 4.33Å; L111-I161 HydrophobicContact CD2-CG1 4.49Å; L111-I203 HydrophobicContact CD1-CD1 3.61Å; L111-I203 HydrophobicContact CD1-CG1 3.81Å
112	L	50.4	Low	52.1	Low	41 Å²	41	72.4 Å²	72.4	22%	0.215	38%	0.375	C	S	.	.			trans	-79.7	110	163	-72.3	145.8	0	0	0	109.6	W104 Y105 I114	W104-L112 HydrophobicContact CE3-CD1 4.26Å; W104-L112 HydrophobicContact CE3-CD2 4.5Å; W104-L112 HydrophobicContact CH2-CD1 3.67Å; W104-L112 HydrophobicContact CH2-CD2 3.91Å; W104-L112 HydrophobicContact CH2-CG 4.29Å; W104-L112 HydrophobicContact CZ3-CD1 3.22Å; W104-L112 HydrophobicContact CZ3-CD2 3.41Å; W104-L112 VanDerWaalsContact CZ3-CD2 3.41Å; W104-L112 HydrophobicContact CZ3-CG 3.85Å; Y105-L112 HydrophobicContact CD2-CD1 3.63Å; Y105-L112 HydrophobicContact CE2-CD1 3.81Å; L112-I114 PolarHBondContact O-N 3.06Å; L112-I114 VanDerWaalsContact O-N 3.15Å
113	S	52.6	Low	52.2	Low	45 Å²	45	68.4 Å²	68.4	32%	0.315	35%	0.354	S	S	.	.			trans	-64.1	111.5	164.4	46.4	0	0	0	0	108	L111	L111-S113 PolarHBondContact O-N 3.21Å
114	I	56.4	Low	52.1	Low	18 Å²	18	61 Å²	61	9%	0.092	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	109.6	170.8	-58.9	173.6	0	0	0	106.5	W96 L99 Y100 L112 L116 V158	W96-I114 HydrophobicContact CD2-CD1 4.38Å; W96-I114 HydrophobicContact CG-CD1 3.88Å; L99-I114 HydrophobicContact CD1-CD1 3.87Å; L99-I114 HydrophobicContact CD1-CG1 4.07Å; L99-I114 HydrophobicContact CD1-CG2 3.76Å; Y100-I114 HydrophobicContact CE2-CD1 4.21Å; L112-I114 PolarHBondContact O-N 3.06Å; L112-I114 VanDerWaalsContact O-N 3.15Å; I114-L116 PolarHBondContact O-N 3.07Å; I114-V158 PolarHBondContact N-O 3.36Å; I114-V158 PolarHBondContact O-N 3.4Å
115	T	55.2	Low	51.9	Low	72 Å²	72	61.7 Å²	61.7	44%	0.442	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.7	124	168.3	-55.9	0	0	0	0	108.3	P117 K153	T115-P117 WeakPolarHBondContact O-CD 3.41Å; T115-K153 VanDerWaalsContact CG2-C 3.45Å; T115-K153 HydrophobicContact CG2-CB 3.72Å; T115-K153 WeakPolarHBondContact CG2-O 3.39Å
116	L	58.1	Low	51.8	Low	6 Å²	6	65.8 Å²	65.8	3%	0.031	37%	0.366	C	S	.	.			trans	-63.7	120.4	-177.6	-69.1	179.7	0	0	0	110.7	L27 I114 G118 I121 L132 L150 A156 V158	L27-L116 HydrophobicContact CD1-CD1 3.83Å; I114-L116 PolarHBondContact O-N 3.07Å; L116-G118 PolarHBondContact O-N 2.92Å; L116-I121 HydrophobicContact CD1-CG2 4.3Å; L116-I121 HydrophobicContact CD2-CB 3.78Å; L116-I121 HydrophobicContact CD2-CD1 3.29Å; L116-I121 HydrophobicContact CD2-CG1 4.07Å; L116-I121 HydrophobicContact CD2-CG2 3.94Å; L116-L132 HydrophobicContact CB-CD1 3.58Å; L116-L132 HydrophobicContact CD1-CD1 3.83Å; L116-L132 HydrophobicContact CD1-CD2 3.73Å; L116-L132 HydrophobicContact CD1-CG 4.38Å; L116-L132 HydrophobicContact CD2-CD1 4.28Å; L116-L132 HydrophobicContact CG-CD1 4.1Å; L116-L150 HydrophobicContact CD1-CD2 4.38Å; L116-A156 HydrophobicContact CD1-CB 3.62Å; L116-A156 HydrophobicContact CG-CB 4.38Å; L116-A156 VanDerWaalsContact CG-O 3.29Å; L116-A156 WeakPolarHBondContact CG-O 3.29Å; L116-A156 PolarHBondContact N-O 2.84Å; L116-V158 HydrophobicContact CD2-CG2 3.85Å
117	P	51.9	Low	51.7	Low	94 Å²	94	63.3 Å²	63.3	61%	0.61	35%	0.353	S	S	*	.			trans	-76.6	6.2	-164.2	28.2	-34.8	0	0	0	115.7	T115	T115-P117 WeakPolarHBondContact O-CD 3.41Å
118	G	50.2	Low	52.3	Low	30 Å²	30	65.6 Å²	65.6	31%	0.309	35%	0.346	S	S	.	.	S	Bend	trans	134.9	-158.3	179.9	0	0	0	0	0	112.7	L116 H120 L132	L116-G118 PolarHBondContact O-N 2.92Å; G118-H120 PolarHBondContact O-N 3.47Å; G118-L132 VanDerWaalsContact O-CB 3.26Å; G118-L132 WeakPolarHBondContact O-CB 3.45Å; G118-L132 WeakPolarHBondContact O-CD1 3.27Å; G118-L132 WeakPolarHBondContact O-CG 3.46Å
119	H	52.4	Low	52.9	Low	127 Å²	127	60.5 Å²	60.5	59%	0.588	33%	0.328	S	S	*	.	S	Bend	trans	-37.4	-17.2	-164.2	-76.2	82.1	0	0	0	120	T130 N131 L132	H119-T130 CarbonylContact O-C 3.52Å; H119-T130 WeakPolarHBondContact O-CA 3.38Å; H119-N131 VanDerWaalsContact O-CA 3.27Å; H119-N131 WeakPolarHBondContact O-CA 3.12Å; H119-N131 PolarHBondContact O-N 2.93Å; H119-L132 PolarHBondContact O-N 3.42Å
120	H	56.5	Low	53	Low	76 Å²	76	58.2 Å²	58.2	35%	0.352	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	153.2	167.9	60.4	-74.5	0	0	0	112	G118 R128 I129 T130	G118-H120 PolarHBondContact O-N 3.47Å; H120-R128 HydrophobicContact CB-CG 4.44Å; H120-R128 PolarHBondContact CD2-NE 3.28Å; H120-R128 PolarHBondContact CD2-NH2 2.99Å; H120-R128 PolarHBondContact CE1-NH2 3.41Å; H120-R128 PolarHBondContact NE2-NH2 3.21Å; H120-R128 VanDerWaalsContact NE2-NH2 3.19Å; H120-I129 CarbonylContact C-O 3.44Å; H120-I129 WeakPolarHBondContact CA-O 3.27Å; H120-I129 WeakPolarHBondContact CB-O 3.22Å; H120-T130 HydrophobicContact CB-CG2 3.77Å
121	I	57.7	Low	53.2	Low	0 Å²	0	57.4 Å²	57.4	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	137.7	163.3	174.4	168.8	0	0	0	108.4	W96 L116 I123 R128 I129 L132 V158	W96-I121 HydrophobicContact CH2-CD1 4.05Å; W96-I121 HydrophobicContact CZ2-CD1 3.42Å; W96-I121 VanDerWaalsContact CZ2-CD1 3.42Å; W96-I121 HydrophobicContact CZ2-CG1 4.32Å; L116-I121 HydrophobicContact CD1-CG2 4.3Å; L116-I121 HydrophobicContact CD2-CB 3.78Å; L116-I121 HydrophobicContact CD2-CD1 3.29Å; L116-I121 HydrophobicContact CD2-CG1 4.07Å; L116-I121 HydrophobicContact CD2-CG2 3.94Å; I121-I123 HydrophobicContact CD1-CG1 4.19Å; I121-I123 HydrophobicContact CG1-CG1 4.16Å; I121-R128 CarbonylContact O-C 3.5Å; I121-R128 WeakPolarHBondContact O-CA 3.39Å; I121-I129 HydrophobicContact CG2-CB 3.71Å; I121-I129 HydrophobicContact CG2-CD1 3.95Å; I121-I129 HydrophobicContact CG2-CG1 4.34Å; I121-I129 HydrophobicContact CG2-CG2 4.36Å; I121-I129 PolarHBondContact N-O 2.74Å; I121-I129 PolarHBondContact O-N 2.92Å; I121-L132 HydrophobicContact CB-CD1 4.05Å; I121-L132 HydrophobicContact CG2-CD1 3.91Å; I121-L132 HydrophobicContact CG2-CD2 4.13Å; I121-V158 HydrophobicContact CD1-CB 4.21Å; I121-V158 HydrophobicContact CD1-CG2 3.44Å; I121-V158 VanDerWaalsContact CD1-CG2 3.44Å
122	T	54.7	Low	53.4	Low	37 Å²	37	55.7 Å²	55.7	23%	0.227	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	133.1	170.9	-51.3	0	0	0	0	108.2	D93 G124 L127 R128	D93-T122 VanDerWaalsContact OD2-CB 3.3Å; D93-T122 WeakPolarHBondContact OD2-CB 3.38Å; T122-G124 WeakPolarHBondContact CG2-O 3.44Å; T122-L127 CarbonylContact C-O 3.51Å; T122-L127 WeakPolarHBondContact CA-O 3.28Å; T122-R128 HydrophobicContact CG2-CB 4.45Å
123	I	56.6	Low	53.7	Low	3 Å²	3	58.1 Å²	58.1	2%	0.015	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	91.9	176.7	-53.3	177	0	0	0	106.2	A25 V85 I121 L127 I129	A25-I123 HydrophobicContact CB-CD1 4.48Å; A25-I123 HydrophobicContact CB-CG2 3.93Å; V85-I123 HydrophobicContact CB-CG2 3.72Å; V85-I123 HydrophobicContact CG1-CG2 3.63Å; V85-I123 HydrophobicContact CG2-CB 4.49Å; V85-I123 HydrophobicContact CG2-CD1 3.99Å; V85-I123 HydrophobicContact CG2-CG2 3.93Å; I121-I123 HydrophobicContact CD1-CG1 4.19Å; I121-I123 HydrophobicContact CG1-CG1 4.16Å; I123-L127 HydrophobicContact CB-CB 4.37Å; I123-L127 HydrophobicContact CD1-CD2 4.17Å; I123-L127 PolarHBondContact N-O 3.47Å; I123-L127 PolarHBondContact O-N 3.39Å; I123-I129 HydrophobicContact CD1-CD1 4.43Å
124	G	48.8	Very low	53.9	Low	15 Å²	15	60.3 Å²	60.3	16%	0.155	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	-162.9	-171.3	0	0	0	0	0	112.5	T122 V126	T122-G124 WeakPolarHBondContact CG2-O 3.44Å; G124-V126 PolarHBondContact O-N 3.34Å
125	P	46.9	Very low	53.9	Low	101 Å²	101	61.7 Å²	61.7	66%	0.656	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-4.7	176.3	30.9	-34.1	0	0	0	113.6	F90	F90-P125 HydrophobicContact CD1-CG 3.6Å; F90-P125 HydrophobicContact CE1-CG 3.33Å; F90-P125 HydrophobicContact CG-CG 4.37Å; F90-P125 HydrophobicContact CZ-CG 3.9Å
126	V	47.1	Very low	54.1	Low	112 Å²	112	64.5 Å²	64.5	68%	0.679	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-40.4	-164	-177.7	0	0	0	0	112.3	F90 G124	F90-V126 HydrophobicContact CE2-CG2 4.44Å; G124-V126 PolarHBondContact O-N 3.34Å
127	L	46.9	Very low	54.1	Low	57 Å²	57	65.2 Å²	65.2	30%	0.298	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	112.6	-170	179.2	60.3	0	0	0	110.1	V85 T122 I123 I129	V85-L127 HydrophobicContact CG2-CD2 3.96Å; T122-L127 CarbonylContact C-O 3.51Å; T122-L127 WeakPolarHBondContact CA-O 3.28Å; I123-L127 HydrophobicContact CB-CB 4.37Å; I123-L127 HydrophobicContact CD1-CD2 4.17Å; I123-L127 PolarHBondContact N-O 3.47Å; I123-L127 PolarHBondContact O-N 3.39Å; L127-I129 HydrophobicContact CD1-CG1 4.21Å; L127-I129 HydrophobicContact CD2-CD1 4.3Å; L127-I129 HydrophobicContact CD2-CG1 4.39Å; L127-I129 HydrophobicContact CG-CD1 4.48Å; L127-I129 HydrophobicContact CG-CG1 4.1Å
128	R	60	Low	54.2	Low	148 Å²	148	65.2 Å²	65.2	56%	0.558	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.4	108	168.6	-175	-179.7	179.8	-166	3	108.5	H120 I121 T122 T130	H120-R128 HydrophobicContact CB-CG 4.44Å; H120-R128 PolarHBondContact CD2-NE 3.28Å; H120-R128 PolarHBondContact CD2-NH2 2.99Å; H120-R128 PolarHBondContact CE1-NH2 3.41Å; H120-R128 PolarHBondContact NE2-NH2 3.21Å; H120-R128 VanDerWaalsContact NE2-NH2 3.19Å; I121-R128 CarbonylContact O-C 3.5Å; I121-R128 WeakPolarHBondContact O-CA 3.39Å; T122-R128 HydrophobicContact CG2-CB 4.45Å; R128-T130 HydrophobicContact CG-CG2 3.79Å; R128-T130 PolarHBondContact O-N 2.83Å
129	I	60.3	Low	54.6	Low	19 Å²	19	65.7 Å²	65.7	10%	0.097	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	109.1	171.7	-61.3	161.6	0	0	0	106.6	L27 H120 I121 I123 L127 L132 Y135	L27-I129 HydrophobicContact CD2-CD1 3.57Å; H120-I129 CarbonylContact C-O 3.44Å; H120-I129 WeakPolarHBondContact CA-O 3.27Å; H120-I129 WeakPolarHBondContact CB-O 3.22Å; I121-I129 HydrophobicContact CG2-CB 3.71Å; I121-I129 HydrophobicContact CG2-CD1 3.95Å; I121-I129 HydrophobicContact CG2-CG1 4.34Å; I121-I129 HydrophobicContact CG2-CG2 4.36Å; I121-I129 PolarHBondContact N-O 2.74Å; I121-I129 PolarHBondContact O-N 2.92Å; I123-I129 HydrophobicContact CD1-CD1 4.43Å; L127-I129 HydrophobicContact CD1-CG1 4.21Å; L127-I129 HydrophobicContact CD2-CD1 4.3Å; L127-I129 HydrophobicContact CD2-CG1 4.39Å; L127-I129 HydrophobicContact CG-CD1 4.48Å; L127-I129 HydrophobicContact CG-CG1 4.1Å; I129-L132 HydrophobicContact CG2-CD2 3.63Å; I129-Y135 HydrophobicContact CG2-CE1 4.18Å; I129-Y135 WeakPolarHBondContact CG2-OH 3.37Å
130	T	50.8	Low	54.6	Low	79 Å²	79	66.6 Å²	66.6	49%	0.485	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	161.9	174.6	61.4	0	0	0	0	111.7	H119 H120 R128	H119-T130 CarbonylContact O-C 3.52Å; H119-T130 WeakPolarHBondContact O-CA 3.38Å; H120-T130 HydrophobicContact CB-CG2 3.77Å; R128-T130 HydrophobicContact CG-CG2 3.79Å; R128-T130 PolarHBondContact O-N 2.83Å
131	N	52	Low	54.6	Low	77 Å²	77	65.7 Å²	65.7	41%	0.412	35%	0.348	S	S	.	.			trans	61.1	53.3	-175.4	-158.8	26.9	0	0	0	116.5	H119 L133 Y135	H119-N131 VanDerWaalsContact O-CA 3.27Å; H119-N131 WeakPolarHBondContact O-CA 3.12Å; H119-N131 PolarHBondContact O-N 2.93Å; N131-L133 PolarHBondContact O-N 3.12Å; N131-L133 WeakPolarHBondContact OD1-CD1 3.22Å; N131-Y135 WeakPolarHBondContact O-CD1 3.16Å
132	L	56.2	Low	54.4	Low	13 Å²	13	73 Å²	73	7%	0.068	38%	0.38	C	S	.	.			trans	-67.2	24.1	175.4	-56.8	171.2	0	0	0	115.5	L116 G118 H119 I121 I129 Y135 L150	L116-L132 HydrophobicContact CB-CD1 3.58Å; L116-L132 HydrophobicContact CD1-CD1 3.83Å; L116-L132 HydrophobicContact CD1-CD2 3.73Å; L116-L132 HydrophobicContact CD1-CG 4.38Å; L116-L132 HydrophobicContact CD2-CD1 4.28Å; L116-L132 HydrophobicContact CG-CD1 4.1Å; G118-L132 VanDerWaalsContact O-CB 3.26Å; G118-L132 WeakPolarHBondContact O-CB 3.45Å; G118-L132 WeakPolarHBondContact O-CD1 3.27Å; G118-L132 WeakPolarHBondContact O-CG 3.46Å; H119-L132 PolarHBondContact O-N 3.42Å; I121-L132 HydrophobicContact CB-CD1 4.05Å; I121-L132 HydrophobicContact CG2-CD1 3.91Å; I121-L132 HydrophobicContact CG2-CD2 4.13Å; I129-L132 HydrophobicContact CG2-CD2 3.63Å; L132-Y135 HydrophobicContact CD2-CE1 4.19Å; L132-L150 HydrophobicContact CD2-CD2 3.51Å
133	L	56.1	Low	54.2	Low	91 Å²	91	80.7 Å²	80.7	48%	0.476	41%	0.413	S	S	.	.	S	Bend	trans	-60.8	161.5	152.6	-65.7	176.8	0	0	0	107.9	N131 Y135	N131-L133 PolarHBondContact O-N 3.12Å; N131-L133 WeakPolarHBondContact OD1-CD1 3.22Å; L133-Y135 VanDerWaalsContact O-CD1 3.26Å; L133-Y135 WeakPolarHBondContact O-CD1 2.88Å; L133-Y135 PolarHBondContact O-N 2.9Å
134	P	58.2	Low	53.6	Low	92 Å²	92	82.1 Å²	82.1	60%	0.597	42%	0.422	S	S	*	.	S	Bend	trans	-50.7	113.9	167.1	-22.9	34.3	0	0	0	108.5	L150	P134-L150 WeakPolarHBondContact CA-O 3.45Å
135	Y	55.4	Low	53.7	Low	46 Å²	46	85.2 Å²	85.2	18%	0.18	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	140.3	-176.4	78.3	-93	0	0	0	110.3	I129 N131 L132 L133 M137 L150	I129-Y135 HydrophobicContact CG2-CE1 4.18Å; I129-Y135 WeakPolarHBondContact CG2-OH 3.37Å; N131-Y135 WeakPolarHBondContact O-CD1 3.16Å; L132-Y135 HydrophobicContact CD2-CE1 4.19Å; L133-Y135 VanDerWaalsContact O-CD1 3.26Å; L133-Y135 WeakPolarHBondContact O-CD1 2.88Å; L133-Y135 PolarHBondContact O-N 2.9Å; Y135-M137 HydrophobicContact CD2-CG 3.79Å; Y135-M137 HydrophobicContact CE2-CB 4.46Å; Y135-M137 HydrophobicContact CE2-CG 3.11Å; Y135-M137 HydrophobicContact CE2-SD 3.77Å; Y135-M137 PolarHBondContact O-N 3.04Å; Y135-M137 PolarHBondContact OH-SD 3.04Å; Y135-L150 HydrophobicContact CD1-CB 4.06Å; Y135-L150 HydrophobicContact CD1-CD2 4.39Å; Y135-L150 HydrophobicContact CE1-CB 3.7Å; Y135-L150 HydrophobicContact CE1-CD2 3.46Å; Y135-L150 VanDerWaalsContact CE1-CD2 3.46Å; Y135-L150 HydrophobicContact CE1-CG 4.2Å; Y135-L150 PolarHBondContact N-O 3.36Å; Y135-L150 PolarHBondContact O-N 3.06Å
136	D	58.8	Low	54.1	Low	131 Å²	131	80.4 Å²	80.4	70%	0.701	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.6	120.6	176	-63.2	-34.2	0	0	0	108.4	G148 T149	D136-G148 CarbonylContact C-O 3.57Å; D136-G148 WeakPolarHBondContact CA-O 3.26Å; D136-T149 WeakPolarHBondContact OD1-CG2 3Å
137	M	59.7	Low	54.5	Low	22 Å²	22	78.9 Å²	78.9	11%	0.108	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	136.5	167.8	-75.9	-174.7	-62.4	0	0	108.8	S29 Y135 F139 N147 G148 L150	S29-M137 WeakPolarHBondContact OG-CE 3.31Å; Y135-M137 HydrophobicContact CD2-CG 3.79Å; Y135-M137 HydrophobicContact CE2-CB 4.46Å; Y135-M137 HydrophobicContact CE2-CG 3.11Å; Y135-M137 HydrophobicContact CE2-SD 3.77Å; Y135-M137 PolarHBondContact O-N 3.04Å; Y135-M137 PolarHBondContact OH-SD 3.04Å; M137-F139 HydrophobicContact CB-CD2 4.19Å; M137-F139 HydrophobicContact CB-CE2 3.6Å; M137-F139 HydrophobicContact CB-CZ 3.99Å; M137-F139 HydrophobicContact CE-CE2 3.89Å; M137-F139 HydrophobicContact CE-CZ 3.64Å; M137-F139 HydrophobicContact CG-CZ 4.48Å; M137-F139 HydrophobicContact SD-CE2 4.31Å; M137-F139 HydrophobicContact SD-CZ 3.78Å; M137-N147 CarbonylContact O-C 3.58Å; M137-N147 WeakPolarHBondContact O-CA 3.34Å; M137-G148 PolarHBondContact N-O 2.98Å; M137-G148 PolarHBondContact O-N 3.06Å; M137-L150 HydrophobicContact CE-CB 3.6Å; M137-L150 HydrophobicContact CE-CD1 4.1Å; M137-L150 HydrophobicContact CE-CG 4.36Å; M137-L150 HydrophobicContact SD-CB 4.38Å
138	I	53.7	Low	55.1	Low	94 Å²	94	76.2 Å²	76.2	48%	0.482	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	113.3	167.8	-55.4	178.3	0	0	0	106.7	F140 D145 I146	I138-F140 HydrophobicContact CB-CE2 4.34Å; I138-F140 HydrophobicContact CG2-CD2 4.3Å; I138-F140 HydrophobicContact CG2-CE1 4.4Å; I138-F140 HydrophobicContact CG2-CE2 3.74Å; I138-F140 HydrophobicContact CG2-CZ 3.79Å; I138-D145 HydrophobicContact CG2-CB 3.97Å; I138-I146 WeakPolarHBondContact CA-O 3.27Å
139	F	59.1	Low	55	Low	39 Å²	39	72.4 Å²	72.4	17%	0.171	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	132.7	170.4	-58.5	-89	0	0	0	108.5	I81 V83 M137 I141 I146	I81-F139 HydrophobicContact CB-CZ 4.37Å; I81-F139 HydrophobicContact CD1-CB 4.2Å; I81-F139 HydrophobicContact CD1-CD1 4.29Å; I81-F139 HydrophobicContact CD1-CD2 3.6Å; I81-F139 HydrophobicContact CD1-CE2 3.94Å; I81-F139 HydrophobicContact CD1-CG 3.78Å; I81-F139 HydrophobicContact CD1-CZ 4.41Å; I81-F139 HydrophobicContact CG2-CD1 4.31Å; I81-F139 HydrophobicContact CG2-CE1 3.92Å; I81-F139 HydrophobicContact CG2-CZ 4.03Å; V83-F139 HydrophobicContact CG2-CE1 4.37Å; M137-F139 HydrophobicContact CB-CD2 4.19Å; M137-F139 HydrophobicContact CB-CE2 3.6Å; M137-F139 HydrophobicContact CB-CZ 3.99Å; M137-F139 HydrophobicContact CE-CE2 3.89Å; M137-F139 HydrophobicContact CE-CZ 3.64Å; M137-F139 HydrophobicContact CG-CZ 4.48Å; M137-F139 HydrophobicContact SD-CE2 4.31Å; M137-F139 HydrophobicContact SD-CZ 3.78Å; F139-I141 HydrophobicContact CB-CG1 4.37Å; F139-I146 HydrophobicContact CB-CB 4.26Å; F139-I146 PolarHBondContact N-O 3.22Å; F139-I146 PolarHBondContact O-N 3.48Å
140	F	52.3	Low	55	Low	146 Å²	146	71.6 Å²	71.6	64%	0.64	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.2	103	173.4	-65.9	-92.8	0	0	0	108.3	I138 D145	I138-F140 HydrophobicContact CB-CE2 4.34Å; I138-F140 HydrophobicContact CG2-CD2 4.3Å; I138-F140 HydrophobicContact CG2-CE1 4.4Å; I138-F140 HydrophobicContact CG2-CE2 3.74Å; I138-F140 HydrophobicContact CG2-CZ 3.79Å; F140-D145 WeakPolarHBondContact CD1-OD1 3.46Å; F140-D145 HydrophobicContact CE1-CB 4.49Å; F140-D145 WeakPolarHBondContact CE1-OD1 3.43Å
141	I	55.7	Low	55.3	Low	58 Å²	58	68.2 Å²	68.2	30%	0.297	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	121.5	177.4	-53.2	-172.5	0	0	0	108.2	I81 F139 E143 T144 I146	I81-I141 HydrophobicContact CD1-CD1 4.28Å; F139-I141 HydrophobicContact CB-CG1 4.37Å; I141-E143 VanDerWaalsContact C-N 3.34Å; I141-E143 PolarHBondContact O-N 3.42Å; I141-T144 PolarHBondContact N-O 3.22Å; I141-T144 WeakPolarHBondContact O-CB 3.11Å; I141-T144 PolarHBondContact O-N 2.86Å; I141-I146 HydrophobicContact CB-CD1 3.94Å; I141-I146 HydrophobicContact CD1-CD1 3.74Å; I141-I146 HydrophobicContact CG1-CD1 3.92Å
142	F	52.4	Low	55.4	Low	154 Å²	154	66.8 Å²	66.8	68%	0.675	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.8	53.4	-178.1	-56.7	-62.9	0	0	0	112.8	T144	F142-T144 PolarHBondContact O-N 2.8Å; F142-T144 PolarHBondContact O-OG1 3.36Å
143	E	52.4	Low	55.4	Low	198 Å²	198	72.5 Å²	72.5	93%	0.925	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	13.3	-178.9	-53.1	177.8	172.7	0	0	114.5	I141	I141-E143 VanDerWaalsContact C-N 3.34Å; I141-E143 PolarHBondContact O-N 3.42Å
144	T	43.8	Very low	55.1	Low	33 Å²	33	73.6 Å²	73.6	20%	0.202	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	125.9	177.4	-50.5	0	0	0	0	110.8	T39 I141 F142 I146	T39-T144 WeakPolarHBondContact OG1-CB 3.26Å; T39-T144 WeakPolarHBondContact OG1-CG2 3.28Å; T39-T144 PolarHBondContact OG1-OG1 3.39Å; I141-T144 PolarHBondContact N-O 3.22Å; I141-T144 WeakPolarHBondContact O-CB 3.11Å; I141-T144 PolarHBondContact O-N 2.86Å; F142-T144 PolarHBondContact O-N 2.8Å; F142-T144 PolarHBondContact O-OG1 3.36Å; T144-I146 PolarHBondContact O-N 3.37Å
145	D	49.7	Very low	54.8	Low	79 Å²	79	75.6 Å²	75.6	42%	0.422	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	121.2	173.5	-60.2	15.7	0	0	0	108.8	I138 F140	I138-D145 HydrophobicContact CG2-CB 3.97Å; F140-D145 WeakPolarHBondContact CD1-OD1 3.46Å; F140-D145 HydrophobicContact CE1-CB 4.49Å; F140-D145 WeakPolarHBondContact CE1-OD1 3.43Å
146	I	56.2	Low	54.8	Low	0 Å²	0	73.5 Å²	73.5	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	117.9	176.9	-60.6	-179.2	0	0	0	107.4	C31 I43 F79 I81 I138 F139 I141 T144 G148	C31-I146 HydrophobicContact CB-CG2 4.15Å; I43-I146 HydrophobicContact CD1-CD1 3.97Å; F79-I146 HydrophobicContact CE1-CG2 4.03Å; F79-I146 HydrophobicContact CE2-CG2 4.49Å; F79-I146 HydrophobicContact CZ-CD1 4Å; F79-I146 HydrophobicContact CZ-CG2 3.47Å; F79-I146 VanDerWaalsContact CZ-CG2 3.47Å; I81-I146 HydrophobicContact CD1-CG2 4.25Å; I138-I146 WeakPolarHBondContact CA-O 3.27Å; F139-I146 HydrophobicContact CB-CB 4.26Å; F139-I146 PolarHBondContact N-O 3.22Å; F139-I146 PolarHBondContact O-N 3.48Å; I141-I146 HydrophobicContact CB-CD1 3.94Å; I141-I146 HydrophobicContact CD1-CD1 3.74Å; I141-I146 HydrophobicContact CG1-CD1 3.92Å; T144-I146 PolarHBondContact O-N 3.37Å; I146-G148 PolarHBondContact O-N 3.42Å
147	N	56	Low	54.6	Low	81 Å²	81	68.3 Å²	68.3	43%	0.433	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	113.7	174.9	-63.4	-25.4	0	0	0	109.4	Q32 M137	Q32-N147 PolarHBondContact N-O 2.97Å; M137-N147 CarbonylContact O-C 3.58Å; M137-N147 WeakPolarHBondContact O-CA 3.34Å
148	G	57.8	Low	54.5	Low	0 Å²	0	67.2 Å²	67.2	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	153.1	166.9	0	0	0	0	0	111.1	C31 D136 M137 I146	C31-G148 VanDerWaalsContact SG-CA 3.58Å; D136-G148 CarbonylContact C-O 3.57Å; D136-G148 WeakPolarHBondContact CA-O 3.26Å; M137-G148 PolarHBondContact N-O 2.98Å; M137-G148 PolarHBondContact O-N 3.06Å; I146-G148 PolarHBondContact O-N 3.42Å
149	T	58.3	Low	54.7	Low	69 Å²	69	63.2 Å²	63.2	42%	0.423	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	116.7	165.1	51.3	0	0	0	0	107	S29 T30 D136 G151	S29-T149 PolarHBondContact OG-O 3.24Å; T30-T149 PolarHBondContact O-N 3.46Å; T30-T149 VanDerWaalsContact O-O 3.08Å; T30-T149 PolarHBondContact O-OG1 3.26Å; D136-T149 WeakPolarHBondContact OD1-CG2 3Å; T149-G151 PolarHBondContact O-N 3.15Å
150	L	61.4	Low	54.3	Low	1 Å²	1	61.5 Å²	61.5	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	113	164.8	-165.5	67.7	0	0	0	107	L27 I28 L116 L132 P134 Y135 M137 A156	L27-L150 HydrophobicContact CD1-CD1 4.05Å; L27-L150 HydrophobicContact CD1-CD2 4.34Å; L27-L150 HydrophobicContact CD2-CD1 4.29Å; L27-L150 HydrophobicContact CG-CD1 4.18Å; I28-L150 WeakPolarHBondContact O-CD1 3.43Å; L116-L150 HydrophobicContact CD1-CD2 4.38Å; L132-L150 HydrophobicContact CD2-CD2 3.51Å; P134-L150 WeakPolarHBondContact CA-O 3.45Å; Y135-L150 HydrophobicContact CD1-CB 4.06Å; Y135-L150 HydrophobicContact CD1-CD2 4.39Å; Y135-L150 HydrophobicContact CE1-CB 3.7Å; Y135-L150 HydrophobicContact CE1-CD2 3.46Å; Y135-L150 VanDerWaalsContact CE1-CD2 3.46Å; Y135-L150 HydrophobicContact CE1-CG 4.2Å; Y135-L150 PolarHBondContact N-O 3.36Å; Y135-L150 PolarHBondContact O-N 3.06Å; M137-L150 HydrophobicContact CE-CB 3.6Å; M137-L150 HydrophobicContact CE-CD1 4.1Å; M137-L150 HydrophobicContact CE-CG 4.36Å; M137-L150 HydrophobicContact SD-CB 4.38Å; L150-A156 HydrophobicContact CD1-CB 3.63Å; L150-A156 HydrophobicContact CD2-CB 4.1Å; L150-A156 HydrophobicContact CG-CB 3.69Å
151	G	56.2	Low	54.3	Low	8 Å²	8	55.1 Å²	55.1	8%	0.082	28%	0.277	C	S	.	.			trans	-66.9	157.4	176.9	0	0	0	0	0	111.9	T149 E155 A156	T149-G151 PolarHBondContact O-N 3.15Å; G151-E155 WeakPolarHBondContact CA-OE2 3.49Å; G151-A156 WeakPolarHBondContact O-CB 3.23Å
152	S	54.5	Low	54.2	Low	47 Å²	47	53.9 Å²	53.9	33%	0.329	27%	0.269	S	S	.	.	S	Bend	trans	-76.8	146.2	174	68.3	0	0	0	0	110.9	E154 E155	S152-E154 PolarHBondContact O-N 3.31Å; S152-E155 PolarHBondContact O-N 2.74Å
153	K	56	Low	54.1	Low	134 Å²	134	50 Å²	50	58%	0.583	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	59.2	-99.7	165.7	-54.5	172.8	-179.6	178.1	0	113.9	T115 E155 A156	T115-K153 VanDerWaalsContact CG2-C 3.45Å; T115-K153 HydrophobicContact CG2-CB 3.72Å; T115-K153 WeakPolarHBondContact CG2-O 3.39Å; K153-E155 VanDerWaalsContact C-N 3.26Å; K153-E155 PolarHBondContact O-N 3.28Å; K153-A156 CarbonylContact O-C 3.48Å; K153-A156 PolarHBondContact O-N 3.04Å
154	E	50.5	Low	53.9	Low	114 Å²	114	45.7 Å²	45.7	53%	0.533	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-73.7	-22.2	-168.1	-64.4	170.5	-155.1	0	0	111.4	S152 K189	S152-E154 PolarHBondContact O-N 3.31Å; E154-K189 VanDerWaalsContact OE1-CD 3.26Å; E154-K189 WeakPolarHBondContact OE1-CD 3.4Å; E154-K189 IonicContact OE1-NZ 3.87Å; E154-K189 PolarHBondContact OE1-NZ 3.18Å; E154-K189 IonicContact OE2-NZ 3.82Å; E154-K189 PolarHBondContact OE2-NZ 3.16Å
155	E	50.5	Low	53.8	Low	134 Å²	134	52.6 Å²	52.6	63%	0.626	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-87.3	-13.3	178	-66.8	-178.4	167.3	0	0	113	G151 S152 K153	G151-E155 WeakPolarHBondContact CA-OE2 3.49Å; S152-E155 PolarHBondContact O-N 2.74Å; K153-E155 VanDerWaalsContact C-N 3.26Å; K153-E155 PolarHBondContact O-N 3.28Å
156	A	55.3	Low	53.2	Low	1 Å²	1	55.4 Å²	55.4	1%	0.008	28%	0.279	C	S	.	.	S	Bend	trans	-125.4	98.7	177.4	0	0	0	0	0	109.4	L116 L150 G151 K153	L116-A156 HydrophobicContact CD1-CB 3.62Å; L116-A156 HydrophobicContact CG-CB 4.38Å; L116-A156 VanDerWaalsContact CG-O 3.29Å; L116-A156 WeakPolarHBondContact CG-O 3.29Å; L116-A156 PolarHBondContact N-O 2.84Å; L150-A156 HydrophobicContact CD1-CB 3.63Å; L150-A156 HydrophobicContact CD2-CB 4.1Å; L150-A156 HydrophobicContact CG-CB 3.69Å; G151-A156 WeakPolarHBondContact O-CB 3.23Å; K153-A156 CarbonylContact O-C 3.48Å; K153-A156 PolarHBondContact O-N 3.04Å
157	C	56.2	Low	52.1	Low	22 Å²	22	60.4 Å²	60.4	15%	0.149	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	150.8	175.7	48.1	0	0	0	0	110.1	H159	C157-H159 PolarHBondContact SG-NE2 3.17Å
158	V	56.9	Low	50.8	Low	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	128.9	159.7	175.4	0	0	0	0	110.1	A25 I26 L27 W96 I114 L116 I121	A25-V158 HydrophobicContact CB-CG1 3.73Å; I26-V158 VanDerWaalsContact O-CA 3.28Å; I26-V158 WeakPolarHBondContact O-CA 3.48Å; L27-V158 HydrophobicContact CD1-CG2 4.24Å; W96-V158 HydrophobicContact CH2-CB 4.46Å; W96-V158 HydrophobicContact CH2-CG1 3.64Å; W96-V158 HydrophobicContact CZ2-CB 3.9Å; W96-V158 HydrophobicContact CZ2-CG1 3.56Å; W96-V158 HydrophobicContact CZ2-CG2 4.38Å; I114-V158 PolarHBondContact N-O 3.36Å; I114-V158 PolarHBondContact O-N 3.4Å; L116-V158 HydrophobicContact CD2-CG2 3.85Å; I121-V158 HydrophobicContact CD1-CB 4.21Å; I121-V158 HydrophobicContact CD1-CG2 3.44Å; I121-V158 VanDerWaalsContact CD1-CG2 3.44Å
159	H	57.1	Low	49.3	Very low	9 Å²	9	68.3 Å²	68.3	4%	0.042	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	131.5	173.9	-61.8	-89.4	0	0	0	110.2	A25 I26 L111 C157	A25-H159 VanDerWaalsContact CA-O 3.27Å; A25-H159 WeakPolarHBondContact CA-O 3.42Å; I26-H159 HydrophobicContact CB-CB 4.28Å; I26-H159 PolarHBondContact N-O 3.26Å; I26-H159 PolarHBondContact O-N 2.71Å; L111-H159 HydrophobicContact CD2-CB 4.33Å; C157-H159 PolarHBondContact SG-NE2 3.17Å
160	N	52.2	Low	48	Very low	3 Å²	3	72.8 Å²	72.8	2%	0.016	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	120	178	-84.7	4.1	0	0	0	109.2	L22 E24 Y100 Y162	L22-N160 HydrophobicContact CD1-CB 3.24Å; L22-N160 HydrophobicContact CD2-CB 3.93Å; L22-N160 WeakPolarHBondContact CD2-OD1 3.48Å; L22-N160 HydrophobicContact CG-CB 4.28Å; E24-N160 WeakPolarHBondContact O-CA 3.32Å; Y100-N160 PolarHBondContact OH-ND2 2.92Å; N160-Y162 HydrophobicContact CB-CE2 4.25Å
161	I	52.2	Low	46.4	Very low	12 Å²	12	79.2 Å²	79.2	6%	0.062	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	138.1	-178.8	-57.8	167.2	0	0	0	110.3	L22 L23 E24 I26 L111 Q206	L22-I161 WeakPolarHBondContact CD1-O 3.47Å; L23-I161 PolarHBondContact N-O 3.18Å; E24-I161 HydrophobicContact CB-CB 3.83Å; E24-I161 HydrophobicContact CB-CD1 3.94Å; E24-I161 HydrophobicContact CB-CG1 4.28Å; E24-I161 HydrophobicContact CG-CD1 4.28Å; E24-I161 PolarHBondContact N-O 2.92Å; E24-I161 PolarHBondContact O-N 3.04Å; I26-I161 HydrophobicContact CD1-CD1 3.4Å; I26-I161 HydrophobicContact CG1-CD1 4.07Å; L111-I161 HydrophobicContact CD2-CG1 4.49Å; I161-Q206 HydrophobicContact CD1-CB 4.44Å; I161-Q206 HydrophobicContact CD1-CG 3.94Å; I161-Q206 HydrophobicContact CG2-CG 4.43Å
162	Y	52.8	Low	45.1	Very low	33 Å²	33	88.1 Å²	88.1	13%	0.129	45%	0.45	C	S	.	.			trans	-118.5	155.4	178.6	-62.6	-89.9	0	0	0	110.6	E21 L22 Y100 Y105 K109 N160 D164	E21-Y162 WeakPolarHBondContact O-CD1 2.91Å; L22-Y162 HydrophobicContact CB-CE1 4.3Å; L22-Y162 HydrophobicContact CD1-CD1 4.39Å; L22-Y162 HydrophobicContact CD1-CD2 4.19Å; L22-Y162 HydrophobicContact CD1-CE1 3.82Å; L22-Y162 HydrophobicContact CD1-CE2 3.51Å; L22-Y162 WeakPolarHBondContact CD1-OH 3.41Å; Y100-Y162 VanDerWaalsContact CE1-OH 3.23Å; Y100-Y162 WeakPolarHBondContact CE1-OH 3.24Å; Y105-Y162 WeakPolarHBondContact OH-CE2 3.47Å; Y105-Y162 PolarHBondContact OH-OH 3.06Å; K109-Y162 WeakPolarHBondContact O-CD2 3.33Å; N160-Y162 HydrophobicContact CB-CE2 4.25Å; Y162-D164 PolarHBondContact O-N 3.18Å
163	D	50.8	Low	43.8	Very low	73 Å²	73	94.3 Å²	94.3	39%	0.39	47%	0.474	S	S	.	.			trans	-72.9	118.9	-179.5	-87.6	-13.1	0	0	0	107.4	R17 L23 E165	R17-D163 IonicContact CZ-OD2 2.69Å; R17-D163 IonicContact NE-OD2 3.71Å; R17-D163 IonicContact NH2-OD2 2.84Å; R17-D163 PolarHBondContact NH2-OD2 3.38Å; L23-D163 HydrophobicContact CD1-CB 3.37Å; L23-D163 VanDerWaalsContact CD1-OD1 3.29Å; L23-D163 WeakPolarHBondContact CD1-OD1 3.4Å; L23-D163 WeakPolarHBondContact CD1-OD2 3.2Å; L23-D163 WeakPolarHBondContact CD2-OD2 3.11Å; D163-E165 PolarHBondContact O-N 3.43Å; D163-E165 VanDerWaalsContact O-N 3.09Å
164	D	47.6	Very low	42.6	Very low	107 Å²	107	95.5 Å²	95.5	57%	0.572	48%	0.482	S	S	*	.			trans	-79.7	78.8	174.7	-81.1	-25.8	0	0	0	110.3	H110 Y162	H110-D164 IonicContact CE1-OD1 3.54Å; H110-D164 PolarHBondContact CE1-OD1 2.81Å; H110-D164 IonicContact ND1-OD1 2.77Å; H110-D164 IonicContact NE2-OD1 3.87Å; Y162-D164 PolarHBondContact O-N 3.18Å
165	E	42	Very low	41.5	Very low	178 Å²	178	100.9 Å²	100.9	83%	0.832	50%	0.498	S	S	*	.	S	Bend	trans	-102.3	3.2	171	-75.7	-122.1	151.2	0	0	114.1	D163	D163-E165 PolarHBondContact O-N 3.43Å; D163-E165 VanDerWaalsContact O-N 3.09Å
166	E	36.6	Very low	40.4	Very low	137 Å²	137	99.9 Å²	99.9	64%	0.64	50%	0.498	S	S	*	.			trans	-157.3	66.4	174.8	-128.8	171.8	-157.6	0	0	112.9	H168	E166-H168 PolarHBondContact O-N 2.89Å
167	C	32.6	Very low	39.2	Very low	106 Å²	106	106.4 Å²	106.4	72%	0.716	54%	0.538	S	S	*	.			trans	-89.5	65.3	163.5	-153.9	0	0	0	0	109.1
168	H	29.6	Very low	37.8	Very low	151 Å²	151	109.4 Å²	109.4	70%	0.699	56%	0.559	S	S	*	*			trans	-87.2	108.4	167.2	-78.5	-52.9	0	0	0	108.6	E166	E166-H168 PolarHBondContact O-N 2.89Å
169	S	25.5	Very low	36.5	Very low	95 Å²	95	117.6 Å²	117.6	66%	0.664	60%	0.602	S	S	*	*			trans	45.2	83.9	154.2	53.1	0	0	0	0	116
170	I	30.7	Very low	34.9	Very low	164 Å²	164	125.1 Å²	125.1	84%	0.841	64%	0.642	S	S	*	*			trans	-91	103.6	149.5	-61.3	177.5	0	0	0	105.8
171	D	28.1	Very low	33.7	Very low	135 Å²	135	128.9 Å²	128.9	72%	0.722	67%	0.669	S	S	*	*			trans	-56.1	139.2	174.6	-71.8	-43.9	0	0	0	110.8	E173	D171-E173 PolarHBondContact O-N 3.42Å
172	H	29.7	Very low	32.5	Very low	196 Å²	196	135.6 Å²	135.6	91%	0.907	71%	0.711	S	S	*	*	S	Bend	trans	-76.7	51.6	-173.6	-126	-64.1	0	0	0	111.5
173	E	27.3	Very low	31.3	Very low	176 Å²	176	137.2 Å²	137.2	82%	0.822	74%	0.737	S	S	*	*			trans	-139.5	139.6	179.8	-68.7	-163.3	166.8	0	0	113.5	D171	D171-E173 PolarHBondContact O-N 3.42Å
174	H	29.8	Very low	30.2	Very low	160 Å²	160	140.1 Å²	140.1	74%	0.741	75%	0.752	S	S	*	*			trans	82.7	70.6	179.4	-85.3	51.8	0	0	0	118.2	D176	H174-D176 VanDerWaalsContact C-N 3.32Å; H174-D176 IonicContact CD2-OD2 3.88Å; H174-D176 PolarHBondContact O-N 2.9Å
175	Y	27.9	Very low	29.3	Very low	226 Å²	226	142 Å²	142	89%	0.886	76%	0.76	S	S	*	*			trans	-75.8	90.4	141.1	-103.9	-89.3	0	0	0	108.2	T177	Y175-T177 PolarHBondContact O-N 3.06Å
176	D	27.8	Very low	28.7	Very low	114 Å²	114	141 Å²	141	61%	0.61	76%	0.761	S	S	*	*			trans	-85.3	101.3	171.6	-142	-19.2	0	0	0	108.8	H174 S178	H174-D176 VanDerWaalsContact C-N 3.32Å; H174-D176 IonicContact CD2-OD2 3.88Å; H174-D176 PolarHBondContact O-N 2.9Å; D176-S178 VanDerWaalsContact C-N 3.26Å; D176-S178 PolarHBondContact O-N 2.99Å
177	T	29.6	Very low	28.3	Very low	138 Å²	138	142.1 Å²	142.1	85%	0.847	77%	0.771	S	S	*	*			trans	-68.8	78.5	173	32.5	0	0	0	0	110.4	Y175	Y175-T177 PolarHBondContact O-N 3.06Å
178	S	26.6	Very low	28.3	Very low	85 Å²	85	144.3 Å²	144.3	59%	0.594	77%	0.771	S	S	*	*			trans	-158.8	63.4	169.5	61.3	0	0	0	0	114.3	D176	D176-S178 VanDerWaalsContact C-N 3.26Å; D176-S178 PolarHBondContact O-N 2.99Å
179	L	29.6	Very low	28.6	Very low	172 Å²	172	144.5 Å²	144.5	90%	0.901	77%	0.77	S	S	*	*			trans	-120.3	80.7	162	-88	160.7	0	0	0	111	S181	L179-S181 PolarHBondContact O-N 2.97Å
180	N	24.6	Very low	28.8	Very low	166 Å²	166	147.8 Å²	147.8	89%	0.888	78%	0.779	S	S	*	*			trans	-62.7	110.1	151.2	-93.2	-19	0	0	0	108.7
181	S	26.5	Very low	29.1	Very low	83 Å²	83	144.1 Å²	144.1	58%	0.58	76%	0.761	S	S	*	*			trans	-175.3	102.9	135.2	56.2	0	0	0	0	109.8	L179 G183	L179-S181 PolarHBondContact O-N 2.97Å; S181-G183 PolarHBondContact O-N 2.9Å
182	T	26.6	Very low	29.6	Very low	153 Å²	153	141.7 Å²	141.7	94%	0.939	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	2.8	22.5	142.9	43.4	0	0	0	0	122.8
183	G	27.8	Very low	29.9	Very low	67 Å²	67	136.4 Å²	136.4	69%	0.691	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.8	-13	-173.7	0	0	0	0	0	117.8	S181	S181-G183 PolarHBondContact O-N 2.9Å
184	L	28.8	Very low	30.4	Very low	134 Å²	134	133.7 Å²	133.7	70%	0.702	73%	0.727	S	S	*	*	S	Bend	trans	-119.1	3.9	-166.5	-93.1	129.6	0	0	0	116.3	N186	L184-N186 PolarHBondContact O-N 3.42Å
185	I	28.4	Very low	30.8	Very low	145 Å²	145	127.7 Å²	127.7	74%	0.744	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-8.3	-165.6	-65.1	171.7	0	0	0	114.2
186	N	29	Very low	31.2	Very low	158 Å²	158	122.1 Å²	122.1	85%	0.845	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	-4.6	-171.3	-73.7	-13.2	0	0	0	116.7	L184	L184-N186 PolarHBondContact O-N 3.42Å
187	N	28.8	Very low	31.9	Very low	161 Å²	161	121.2 Å²	121.2	86%	0.861	69%	0.685	S	S	*	*	S	Bend	trans	-124.6	2	-176.8	-74.3	-30.8	0	0	0	115.7
188	Q	32.7	Very low	32.7	Very low	152 Å²	152	115.6 Å²	115.6	71%	0.71	65%	0.651	S	S	*	*			trans	-108.2	79.2	173.7	-69.3	-170.3	0.9	0	0	109.7	L190	Q188-L190 PolarHBondContact O-N 2.94Å
189	K	35.5	Very low	33.5	Very low	155 Å²	155	113.3 Å²	113.3	67%	0.674	63%	0.632	S	S	*	*			trans	-76.3	115.5	171.3	-151.5	-174.9	-179.7	-158.7	0	107.7	E154 L191	E154-K189 VanDerWaalsContact OE1-CD 3.26Å; E154-K189 WeakPolarHBondContact OE1-CD 3.4Å; E154-K189 IonicContact OE1-NZ 3.87Å; E154-K189 PolarHBondContact OE1-NZ 3.18Å; E154-K189 IonicContact OE2-NZ 3.82Å; E154-K189 PolarHBondContact OE2-NZ 3.16Å; K189-L191 PolarHBondContact O-N 2.74Å
190	L	29.7	Very low	34.2	Very low	163 Å²	163	106.9 Å²	106.9	85%	0.853	61%	0.607	S	S	*	*			trans	-36.5	118.5	178.4	-160.6	75.4	0	0	0	112	Q188 T192	Q188-L190 PolarHBondContact O-N 2.94Å; L190-T192 PolarHBondContact O-N 2.74Å
191	L	36.4	Very low	35.4	Very low	87 Å²	87	100.4 Å²	100.4	46%	0.455	58%	0.575	S	S	.	*			trans	-54.6	124.7	173.4	-76.9	162.3	0	0	0	109.4	K189 S195 M196	K189-L191 PolarHBondContact O-N 2.74Å; L191-S195 WeakPolarHBondContact CB-OG 3.23Å; L191-S195 VanDerWaalsContact CD2-OG 3.3Å; L191-S195 WeakPolarHBondContact CD2-OG 3.46Å; L191-M196 HydrophobicContact CB-CG 4.39Å
192	T	38.4	Very low	36.4	Very low	85 Å²	85	96.9 Å²	96.9	52%	0.521	55%	0.551	S	S	.	*			trans	-72.3	156.5	175.8	58.9	0	0	0	0	110.3	L190 D194 S195 M196	L190-T192 PolarHBondContact O-N 2.74Å; T192-D194 PolarHBondContact O-N 3.44Å; T192-D194 VanDerWaalsContact O-N 3.11Å; T192-S195 PolarHBondContact N-OG 3.22Å; T192-S195 VanDerWaalsContact N-OG 3.17Å; T192-S195 WeakPolarHBondContact O-CB 3.46Å; T192-S195 PolarHBondContact O-N 3.17Å; T192-S195 PolarHBondContact O-OG 3.21Å; T192-M196 PolarHBondContact O-N 3.11Å; T192-M196 VanDerWaalsContact O-N 3.15Å
193	S	37.1	Very low	37.4	Very low	84 Å²	84	91.7 Å²	91.7	59%	0.587	52%	0.517	S	S	*	.	H	α-helix	trans	-50.6	-38	177.4	50.7	0	0	0	0	113	M196 T197	S193-M196 WeakPolarHBondContact O-CB 2.75Å; S193-M196 PolarHBondContact O-N 2.94Å; S193-M196 VanDerWaalsContact O-N 3.15Å; S193-T197 PolarHBondContact O-N 3.43Å; S193-T197 PolarHBondContact O-OG1 2.97Å; S193-T197 VanDerWaalsContact O-OG1 3.1Å
194	D	36.5	Very low	38.5	Very low	120 Å²	120	91.8 Å²	91.8	64%	0.642	50%	0.499	S	S	*	.	H	α-helix	trans	-69.4	-37	-178.2	-59.8	-9.2	0	0	0	111.4	T192 M196 T197 S198	T192-D194 PolarHBondContact O-N 3.44Å; T192-D194 VanDerWaalsContact O-N 3.11Å; D194-M196 VanDerWaalsContact C-N 3.29Å; D194-M196 PolarHBondContact O-N 3.35Å; D194-T197 PolarHBondContact O-N 3.4Å; D194-S198 WeakPolarHBondContact O-CB 3.4Å; D194-S198 PolarHBondContact O-N 3.28Å
195	S	39.7	Very low	39.5	Very low	33 Å²	33	89.2 Å²	89.2	23%	0.231	49%	0.486	C	S	.	.	H	α-helix	trans	-65.3	-34.2	172.5	77	0	0	0	0	111.7	L191 T192 M199	L191-S195 WeakPolarHBondContact CB-OG 3.23Å; L191-S195 VanDerWaalsContact CD2-OG 3.3Å; L191-S195 WeakPolarHBondContact CD2-OG 3.46Å; T192-S195 PolarHBondContact N-OG 3.22Å; T192-S195 VanDerWaalsContact N-OG 3.17Å; T192-S195 WeakPolarHBondContact O-CB 3.46Å; T192-S195 PolarHBondContact O-N 3.17Å; T192-S195 PolarHBondContact O-OG 3.21Å; S195-M199 WeakPolarHBondContact O-CB 3.5Å; S195-M199 PolarHBondContact O-N 3.42Å
196	M	35.6	Very low	40.4	Very low	109 Å²	109	83.5 Å²	83.5	54%	0.537	46%	0.456	S	S	.	.	H	α-helix	trans	-71.4	-37.6	176.3	-61.8	-168.9	81.2	0	0	112.5	L191 T192 S193 D194 M199 G200	L191-M196 HydrophobicContact CB-CG 4.39Å; T192-M196 PolarHBondContact O-N 3.11Å; T192-M196 VanDerWaalsContact O-N 3.15Å; S193-M196 WeakPolarHBondContact O-CB 2.75Å; S193-M196 PolarHBondContact O-N 2.94Å; S193-M196 VanDerWaalsContact O-N 3.15Å; D194-M196 VanDerWaalsContact C-N 3.29Å; D194-M196 PolarHBondContact O-N 3.35Å; M196-M199 HydrophobicContact CB-CE 4.49Å; M196-M199 HydrophobicContact CE-CE 4.43Å; M196-M199 HydrophobicContact CG-CE 4.4Å; M196-M199 PolarHBondContact O-N 3.17Å; M196-G200 PolarHBondContact O-N 2.65Å
197	T	42.6	Very low	41.3	Very low	96 Å²	96	83.5 Å²	83.5	59%	0.589	44%	0.444	S	S	*	.	H	α-helix	trans	-68.5	-40	175.2	-47.1	0	0	0	0	111.8	S193 D194 G200 S201	S193-T197 PolarHBondContact O-N 3.43Å; S193-T197 PolarHBondContact O-OG1 2.97Å; S193-T197 VanDerWaalsContact O-OG1 3.1Å; D194-T197 PolarHBondContact O-N 3.4Å; T197-G200 PolarHBondContact O-N 3Å; T197-S201 PolarHBondContact O-N 3.38Å; T197-S201 PolarHBondContact O-OG 3.31Å; T197-S201 VanDerWaalsContact O-OG 3.06Å
198	S	45.2	Very low	42.2	Very low	19 Å²	19	80.3 Å²	80.3	13%	0.133	43%	0.426	C	S	.	.	H	α-helix	trans	-62.3	-43.5	172.7	-171.6	0	0	0	0	111.4	D194 S201 A202	D194-S198 WeakPolarHBondContact O-CB 3.4Å; D194-S198 PolarHBondContact O-N 3.28Å; S198-S201 WeakPolarHBondContact O-CB 3.29Å; S198-S201 PolarHBondContact O-N 3.46Å; S198-A202 PolarHBondContact O-N 3.01Å
199	M	44.1	Very low	42.8	Very low	38 Å²	38	76.6 Å²	76.6	19%	0.187	41%	0.411	C	S	.	.	H	α-helix	trans	-62.8	-43.5	175.6	-177.4	174.3	62.2	0	0	112.5	S195 M196 S201 A202 I203	S195-M199 WeakPolarHBondContact O-CB 3.5Å; S195-M199 PolarHBondContact O-N 3.42Å; M196-M199 HydrophobicContact CB-CE 4.49Å; M196-M199 HydrophobicContact CE-CE 4.43Å; M196-M199 HydrophobicContact CG-CE 4.4Å; M196-M199 PolarHBondContact O-N 3.17Å; M199-S201 VanDerWaalsContact C-N 3.27Å; M199-S201 PolarHBondContact O-N 3.11Å; M199-A202 PolarHBondContact O-N 3.15Å; M199-I203 HydrophobicContact CG-CD1 4.1Å; M199-I203 VanDerWaalsContact O-CG1 3.31Å; M199-I203 WeakPolarHBondContact O-CG1 3.18Å; M199-I203 PolarHBondContact O-N 3.27Å
200	G	44.4	Very low	43.2	Very low	37 Å²	37	73.2 Å²	73.2	38%	0.381	40%	0.4	S	S	.	.	H	α-helix	trans	-59.7	-38.4	173.6	0	0	0	0	0	112.5	M196 T197 E204	M196-G200 PolarHBondContact O-N 2.65Å; T197-G200 PolarHBondContact O-N 3Å; G200-E204 WeakPolarHBondContact O-CB 3.13Å; G200-E204 PolarHBondContact O-N 3.26Å; G200-E204 VanDerWaalsContact O-N 3.12Å
201	S	50.5	Low	44	Very low	30 Å²	30	69.4 Å²	69.4	21%	0.21	39%	0.392	C	S	.	.	H	α-helix	trans	-67.9	-38.9	174.8	-59.2	0	0	0	0	112.4	Q50 T197 S198 M199 E204 L205	Q50-S201 PolarHBondContact NE2-OG 3.33Å; T197-S201 PolarHBondContact O-N 3.38Å; T197-S201 PolarHBondContact O-OG 3.31Å; T197-S201 VanDerWaalsContact O-OG 3.06Å; S198-S201 WeakPolarHBondContact O-CB 3.29Å; S198-S201 PolarHBondContact O-N 3.46Å; M199-S201 VanDerWaalsContact C-N 3.27Å; M199-S201 PolarHBondContact O-N 3.11Å; S201-E204 PolarHBondContact O-N 3.1Å; S201-L205 WeakPolarHBondContact O-CB 3.31Å; S201-L205 VanDerWaalsContact O-CG 3.29Å; S201-L205 WeakPolarHBondContact O-CG 3.41Å; S201-L205 PolarHBondContact O-N 2.92Å
202	A	46.9	Very low	44.1	Very low	9 Å²	9	69.5 Å²	69.5	7%	0.074	40%	0.4	C	S	.	.	H	α-helix	trans	-66.8	-42.4	177.9	0	0	0	0	0	112.2	I26 I28 S198 M199 E204 L205 Q206	I26-A202 HydrophobicContact CD1-CB 4.43Å; I28-A202 HydrophobicContact CD1-CB 4.27Å; S198-A202 PolarHBondContact O-N 3.01Å; M199-A202 PolarHBondContact O-N 3.15Å; A202-E204 VanDerWaalsContact C-N 3.33Å; A202-E204 PolarHBondContact O-N 3.15Å; A202-L205 PolarHBondContact O-N 3.1Å; A202-Q206 WeakPolarHBondContact O-CB 3.4Å; A202-Q206 PolarHBondContact O-N 3.06Å
203	I	47.5	Very low	44.1	Very low	44 Å²	44	74.8 Å²	74.8	23%	0.226	42%	0.416	C	S	.	.	H	α-helix	trans	-62.1	-41.5	174.9	-65.6	165	0	0	0	110.8	L111 M199 Q206 R207	L111-I203 HydrophobicContact CD1-CD1 3.61Å; L111-I203 HydrophobicContact CD1-CG1 3.81Å; M199-I203 HydrophobicContact CG-CD1 4.1Å; M199-I203 VanDerWaalsContact O-CG1 3.31Å; M199-I203 WeakPolarHBondContact O-CG1 3.18Å; M199-I203 PolarHBondContact O-N 3.27Å; I203-Q206 WeakPolarHBondContact O-CB 3.09Å; I203-Q206 PolarHBondContact O-N 2.86Å; I203-R207 PolarHBondContact O-N 3.27Å
204	E	50.4	Low	44.4	Very low	69 Å²	69	74.3 Å²	74.3	32%	0.322	41%	0.407	S	S	.	.	H	α-helix	trans	-71.5	-37.9	180	-158.7	70.9	171.1	0	0	112	G200 S201 A202 Q206 R207 L208	G200-E204 WeakPolarHBondContact O-CB 3.13Å; G200-E204 PolarHBondContact O-N 3.26Å; G200-E204 VanDerWaalsContact O-N 3.12Å; S201-E204 PolarHBondContact O-N 3.1Å; A202-E204 VanDerWaalsContact C-N 3.33Å; A202-E204 PolarHBondContact O-N 3.15Å; E204-Q206 VanDerWaalsContact C-N 3.31Å; E204-Q206 PolarHBondContact O-N 3.15Å; E204-R207 PolarHBondContact O-N 2.84Å; E204-R207 WeakPolarHBondContact OE2-CD 3.3Å; E204-R207 IonicContact OE2-CZ 3.98Å; E204-R207 IonicContact OE2-NH1 3.04Å; E204-R207 PolarHBondContact OE2-NH1 3.28Å; E204-L208 WeakPolarHBondContact O-CG 3.38Å; E204-L208 PolarHBondContact O-N 3.35Å
205	L	49.7	Very low	44.9	Very low	80 Å²	80	71.9 Å²	71.9	42%	0.419	40%	0.395	S	S	.	.	H	α-helix	trans	-60.1	-42	170.5	-76.8	171.4	0	0	0	111.4	S201 A202 L208 L209	S201-L205 WeakPolarHBondContact O-CB 3.31Å; S201-L205 VanDerWaalsContact O-CG 3.29Å; S201-L205 WeakPolarHBondContact O-CG 3.41Å; S201-L205 PolarHBondContact O-N 2.92Å; A202-L205 PolarHBondContact O-N 3.1Å; L205-L208 PolarHBondContact O-N 3.32Å; L205-L209 WeakPolarHBondContact O-CB 3.45Å; L205-L209 WeakPolarHBondContact O-CD1 3.19Å; L205-L209 PolarHBondContact O-N 3.33Å
206	Q	46.9	Very low	45.1	Very low	25 Å²	25	74.1 Å²	74.1	12%	0.117	40%	0.404	C	S	.	.	H	α-helix	trans	-59.8	-46.8	175	-177.2	-161.9	-20.6	0	0	111.3	I161 A202 I203 E204 L208 L209 L210	I161-Q206 HydrophobicContact CD1-CB 4.44Å; I161-Q206 HydrophobicContact CD1-CG 3.94Å; I161-Q206 HydrophobicContact CG2-CG 4.43Å; A202-Q206 WeakPolarHBondContact O-CB 3.4Å; A202-Q206 PolarHBondContact O-N 3.06Å; I203-Q206 WeakPolarHBondContact O-CB 3.09Å; I203-Q206 PolarHBondContact O-N 2.86Å; E204-Q206 VanDerWaalsContact C-N 3.31Å; E204-Q206 PolarHBondContact O-N 3.15Å; Q206-L208 VanDerWaalsContact C-N 3.3Å; Q206-L208 PolarHBondContact O-N 3.28Å; Q206-L209 PolarHBondContact O-N 2.69Å; Q206-L210 HydrophobicContact CG-CD1 3.91Å; Q206-L210 HydrophobicContact CG-CG 4.4Å; Q206-L210 WeakPolarHBondContact O-CB 3.46Å; Q206-L210 WeakPolarHBondContact O-CG 3.44Å; Q206-L210 PolarHBondContact O-N 2.68Å
207	R	48.3	Very low	45.7	Very low	158 Å²	158	72 Å²	72	60%	0.596	40%	0.396	S	S	*	.	H	α-helix	trans	-58.3	-42.3	176.3	-74.8	177.8	178.3	155.6	-3.7	112	I203 E204 A211	I203-R207 PolarHBondContact O-N 3.27Å; E204-R207 PolarHBondContact O-N 2.84Å; E204-R207 WeakPolarHBondContact OE2-CD 3.3Å; E204-R207 IonicContact OE2-CZ 3.98Å; E204-R207 IonicContact OE2-NH1 3.04Å; E204-R207 PolarHBondContact OE2-NH1 3.28Å; R207-A211 WeakPolarHBondContact O-CB 3.43Å; R207-A211 PolarHBondContact O-N 3.27Å
208	L	47.8	Very low	45.9	Very low	93 Å²	93	70.5 Å²	70.5	49%	0.487	38%	0.384	S	S	.	.	H	α-helix	trans	-66.9	-41.5	177.2	-70.8	168.5	0	0	0	112.3	E204 L205 Q206 A211 S212	E204-L208 WeakPolarHBondContact O-CG 3.38Å; E204-L208 PolarHBondContact O-N 3.35Å; L205-L208 PolarHBondContact O-N 3.32Å; Q206-L208 VanDerWaalsContact C-N 3.3Å; Q206-L208 PolarHBondContact O-N 3.28Å; L208-A211 PolarHBondContact O-N 3.35Å; L208-S212 WeakPolarHBondContact O-CB 3.26Å; L208-S212 PolarHBondContact O-N 3.39Å
209	L	45.2	Very low	45.9	Very low	74 Å²	74	73.9 Å²	73.9	39%	0.387	40%	0.4	S	S	.	.	H	α-helix	trans	-64.8	-44.8	177.1	-89	148.4	0	0	0	111.7	L205 Q206 S212	L205-L209 WeakPolarHBondContact O-CB 3.45Å; L205-L209 WeakPolarHBondContact O-CD1 3.19Å; L205-L209 PolarHBondContact O-N 3.33Å; Q206-L209 PolarHBondContact O-N 2.69Å; L209-S212 PolarHBondContact O-N 3.33Å; L209-S212 PolarHBondContact O-OG 2.92Å
210	L	44.6	Very low	46.1	Very low	84 Å²	84	76.5 Å²	76.5	44%	0.44	42%	0.416	S	S	.	.	H	α-helix	trans	-67.7	-35.8	176.7	-70.5	173.1	0	0	0	112.3	Q206 S212	Q206-L210 HydrophobicContact CG-CD1 3.91Å; Q206-L210 HydrophobicContact CG-CG 4.4Å; Q206-L210 WeakPolarHBondContact O-CB 3.46Å; Q206-L210 WeakPolarHBondContact O-CG 3.44Å; Q206-L210 PolarHBondContact O-N 2.68Å; L210-S212 PolarHBondContact O-N 2.91Å
211	A	45.8	Very low	46.2	Very low	83 Å²	83	79.5 Å²	79.5	69%	0.686	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-12.2	174.8	0	0	0	0	0	114	R207 L208	R207-A211 WeakPolarHBondContact O-CB 3.43Å; R207-A211 PolarHBondContact O-N 3.27Å; L208-A211 PolarHBondContact O-N 3.35Å
212	S	38.8	Very low	45.8	Very low	89 Å²	89	83.7 Å²	83.7	62%	0.622	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-5.6	-179.3	74.6	0	0	0	0	114.8	L208 L209 L210	L208-S212 WeakPolarHBondContact O-CB 3.26Å; L208-S212 PolarHBondContact O-N 3.39Å; L209-S212 PolarHBondContact O-N 3.33Å; L209-S212 PolarHBondContact O-OG 2.92Å; L210-S212 PolarHBondContact O-N 2.91Å
213	K	38.3	Very low	45.7	Very low	196 Å²	196	90.5 Å²	90.5	85%	0.852	47%	0.469	S	S	*	.			trans	-97.9	0	175.5	-69.7	-178.4	178.6	177.4	0	110.8

Retrieved 213 of 213 residues in 88.1 ms (Link to these results)

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