A0A5K4FC90_SCHMA Loading...

INCENP_ARK-bind domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FC90, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 291 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.1	Very low	29.8	Very low	98 Å²	98	56.2 Å²	56.2	48%	0.483	30%	0.301	S	S	.	.				0	139.3	0	-161.9	168.8	-160.1	0	0	106.9	L150	M1-L150 PolarHBondContact O-N 3.12Å; M1-L150 VanDerWaalsContact O-N 3.15Å
2	F	27.4	Very low	29.5	Very low	31 Å²	31	64 Å²	64	14%	0.136	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	135.4	177.2	-63.4	-93.5	0	0	0	109	V147 I148 K149 M205	F2-V147 HydrophobicContact CB-CG1 4.12Å; F2-V147 HydrophobicContact CD1-CG1 3.96Å; F2-V147 HydrophobicContact CG-CG1 4.38Å; F2-I148 VanDerWaalsContact CA-O 3.27Å; F2-I148 WeakPolarHBondContact CA-O 3.3Å; F2-K149 HydrophobicContact CD1-CB 3.77Å; F2-K149 HydrophobicContact CD1-CG 4.05Å; F2-K149 HydrophobicContact CE1-CB 3.35Å; F2-K149 HydrophobicContact CE1-CD 3.68Å; F2-K149 HydrophobicContact CE1-CG 3.38Å; F2-K149 HydrophobicContact CZ-CB 4.19Å; F2-K149 HydrophobicContact CZ-CD 3.68Å; F2-K149 HydrophobicContact CZ-CG 3.69Å; F2-M205 HydrophobicContact CD1-CE 3.95Å; F2-M205 HydrophobicContact CE1-CE 3.26Å; F2-M205 HydrophobicContact CE1-SD 4.47Å; F2-M205 HydrophobicContact CE2-CE 4.41Å; F2-M205 HydrophobicContact CZ-CE 3.55Å; F2-M205 HydrophobicContact CZ-SD 4.5Å
3	T	28.6	Very low	29.4	Very low	13 Å²	13	74.4 Å²	74.4	8%	0.08	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	134.5	171.7	-55.3	0	0	0	0	107.6	F5 V147 I148 L150 M160	T3-F5 HydrophobicContact CG2-CE2 4.34Å; T3-V147 CarbonylContact O-C 3.52Å; T3-V147 WeakPolarHBondContact O-CA 3.25Å; T3-I148 PolarHBondContact N-O 2.66Å; T3-I148 PolarHBondContact O-N 2.76Å; T3-L150 WeakPolarHBondContact OG1-CD1 3.32Å; T3-M160 HydrophobicContact CG2-CE 3.91Å; T3-M160 HydrophobicContact CG2-SD 3.79Å
4	V	31.6	Very low	29	Very low	16 Å²	16	80.9 Å²	80.9	10%	0.097	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	146.9	176.7	-172	0	0	0	0	108.6	T145 W146 V147 F197 F213	V4-T145 HydrophobicContact CG1-CG2 3.09Å; V4-W146 CarbonylContact C-O 3.48Å; V4-W146 VanDerWaalsContact C-O 3.28Å; V4-W146 WeakPolarHBondContact CA-O 3.34Å; V4-W146 VanDerWaalsContact CG1-O 3.29Å; V4-W146 WeakPolarHBondContact CG1-O 3.49Å; V4-V147 HydrophobicContact CB-CG2 4.1Å; V4-V147 HydrophobicContact CG1-CG2 3.71Å; V4-V147 HydrophobicContact CG2-CB 3.85Å; V4-V147 HydrophobicContact CG2-CG1 3.8Å; V4-V147 HydrophobicContact CG2-CG2 3.5Å; V4-V147 VanDerWaalsContact CG2-CG2 3.5Å; V4-F197 HydrophobicContact CB-CD2 4.36Å; V4-F197 HydrophobicContact CB-CE1 4.45Å; V4-F197 HydrophobicContact CB-CE2 3.1Å; V4-F197 HydrophobicContact CB-CZ 3.14Å; V4-F197 HydrophobicContact CG1-CE2 4.14Å; V4-F197 HydrophobicContact CG1-CZ 3.71Å; V4-F197 HydrophobicContact CG2-CE2 3.78Å; V4-F197 HydrophobicContact CG2-CZ 4.26Å; V4-F197 VanDerWaalsContact N-CE2 3.32Å; V4-F197 VanDerWaalsContact O-CE2 3.25Å; V4-F197 WeakPolarHBondContact O-CE2 3.38Å; V4-F197 WeakPolarHBondContact O-CZ 3.42Å; V4-F213 HydrophobicContact CG1-CZ 4.5Å
5	F	34	Very low	28.7	Very low	42 Å²	42	84.2 Å²	84.2	18%	0.184	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	150.6	173.1	-71.9	-95.8	0	0	0	108.4	T3 T145 W146 I148 M160 I164 W196	T3-F5 HydrophobicContact CG2-CE2 4.34Å; F5-T145 CarbonylContact O-C 3.55Å; F5-T145 VanDerWaalsContact O-C 3.26Å; F5-T145 WeakPolarHBondContact O-CA 2.96Å; F5-T145 WeakPolarHBondContact O-CG2 3.25Å; F5-W146 HydrophobicContact CB-CB 4.15Å; F5-W146 HydrophobicContact CD2-CB 4.42Å; F5-W146 PolarHBondContact N-O 3.19Å; F5-W146 PolarHBondContact O-N 3.44Å; F5-I148 HydrophobicContact CD2-CD1 3.91Å; F5-I148 HydrophobicContact CE2-CD1 3.57Å; F5-M160 HydrophobicContact CE1-CE 3.7Å; F5-M160 HydrophobicContact CE1-SD 4.23Å; F5-M160 HydrophobicContact CE2-CE 3.82Å; F5-M160 HydrophobicContact CE2-CG 4.2Å; F5-M160 HydrophobicContact CE2-SD 3.29Å; F5-M160 WeakPolarHBondContact CE2-SD 3.42Å; F5-M160 HydrophobicContact CZ-CE 3.14Å; F5-M160 HydrophobicContact CZ-CG 3.68Å; F5-M160 HydrophobicContact CZ-SD 3.11Å; F5-M160 WeakPolarHBondContact CZ-SD 3.49Å; F5-I164 HydrophobicContact CE1-CD1 4.01Å; F5-I164 HydrophobicContact CZ-CD1 3.95Å; F5-W196 HydrophobicContact CD1-CZ3 4.11Å; F5-W196 AromaticContact CE1-CH2 3.97Å; F5-W196 HydrophobicContact CE1-CH2 3.97Å; F5-W196 AromaticContact CE1-CZ3 3.54Å; F5-W196 HydrophobicContact CE1-CZ3 3.54Å; F5-W196 HydrophobicContact CZ-CZ3 4.26Å
6	S	31.2	Very low	28.7	Very low	39 Å²	39	88.6 Å²	88.6	27%	0.273	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	135.8	167.8	-171.5	0	0	0	0	110.3	T144 L221	S6-T144 WeakPolarHBondContact CA-O 3.44Å; S6-L221 VanDerWaalsContact CB-CD1 3.47Å
7	S	32.8	Very low	28.5	Very low	43 Å²	43	92.8 Å²	92.8	30%	0.301	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	101.8	162.4	62	0	0	0	0	107.8	E143 T144	S7-E143 WeakPolarHBondContact O-CA 3.02Å; S7-T144 PolarHBondContact N-O 2.78Å; S7-T144 PolarHBondContact O-N 3.4Å; S7-T144 PolarHBondContact OG-O 2.74Å
8	G	30.4	Very low	28.2	Very low	43 Å²	43	97.7 Å²	97.7	44%	0.443	49%	0.486	S	S	.	.			trans	-106.5	122.6	164	0	0	0	0	0	108.1
9	I	27.2	Very low	27.9	Very low	81 Å²	81	99.2 Å²	99.2	42%	0.415	51%	0.507	S	S	.	.			trans	-89.9	99.8	165.6	-60	169.4	0	0	0	104.2	Y11	I9-Y11 HydrophobicContact CG2-CD2 4.12Å; I9-Y11 HydrophobicContact CG2-CE2 3.69Å
10	D	29	Very low	27.9	Very low	49 Å²	49	99.3 Å²	99.3	26%	0.262	52%	0.523	S	S	.	.			trans	-106	113.5	170.4	-84.2	-16.5	0	0	0	107.6	Y12 R235	D10-Y12 HydrophobicContact CB-CD2 4.13Å; D10-Y12 HydrophobicContact CB-CE2 3.65Å; D10-Y12 PolarHBondContact O-N 2.86Å; D10-R235 VanDerWaalsContact CG-NH2 3.32Å; D10-R235 IonicContact OD1-CZ 2.71Å; D10-R235 IonicContact OD1-NH1 3.58Å; D10-R235 PolarHBondContact OD1-NH1 3.28Å; D10-R235 VanDerWaalsContact OD1-NH1 3.15Å; D10-R235 IonicContact OD1-NH2 3.02Å; D10-R235 PolarHBondContact OD1-NH2 3.46Å; D10-R235 IonicContact OD2-NH1 3.37Å; D10-R235 IonicContact OD2-NH2 2.77Å; D10-R235 PolarHBondContact OD2-NH2 2.81Å
11	Y	26.4	Very low	27.5	Very low	163 Å²	163	99.4 Å²	99.4	64%	0.639	53%	0.532	S	S	*	.			trans	-75	117.9	168.6	-70.7	-89.7	0	0	0	108.9	I9	I9-Y11 HydrophobicContact CG2-CD2 4.12Å; I9-Y11 HydrophobicContact CG2-CE2 3.69Å
12	Y	26.8	Very low	27.3	Very low	150 Å²	150	102.5 Å²	102.5	59%	0.588	55%	0.548	S	S	*	.			trans	-115.6	114.9	160.7	-68.7	-84.1	0	0	0	107.7	D10 E14	D10-Y12 HydrophobicContact CB-CD2 4.13Å; D10-Y12 HydrophobicContact CB-CE2 3.65Å; D10-Y12 PolarHBondContact O-N 2.86Å; Y12-E14 PolarHBondContact O-N 3.1Å
13	E	27.3	Very low	27.1	Very low	199 Å²	199	106.8 Å²	106.8	93%	0.93	58%	0.577	S	S	*	*			trans	-74	118.2	158.7	-80.8	-163.6	158.5	0	0	108.3
14	E	24.5	Very low	27.2	Very low	166 Å²	166	112 Å²	112	78%	0.776	61%	0.609	S	S	*	*			trans	-64.9	142.6	171.6	-76.9	-172.6	154.2	0	0	111.3	Y12	Y12-E14 PolarHBondContact O-N 3.1Å
15	D	24.8	Very low	27.1	Very low	130 Å²	130	117.3 Å²	117.3	70%	0.695	64%	0.643	S	S	*	*			trans	66.2	98.4	149.5	-61.2	-18.2	0	0	0	118.1
16	N	27.4	Very low	26.6	Very low	155 Å²	155	123.7 Å²	123.7	83%	0.829	67%	0.671	S	S	*	*				-177	115.7	108.2	-93.1	-60.6	0	0	0	109.4
17	L	26.8	Very low	26.4	Very low	160 Å²	160	127 Å²	127	84%	0.838	70%	0.695	S	S	*	*			trans	167.3	101.9	130.1	-85.8	156	0	0	0	112.6
18	K	23	Very low	26	Very low	181 Å²	181	133.6 Å²	133.6	79%	0.787	72%	0.718	S	S	*	*			trans	38.3	105.7	132.1	-69.5	179.5	178.3	176.7	0	118.4
19	S	22.7	Very low	26	Very low	125 Å²	125	139.2 Å²	139.2	87%	0.874	74%	0.737	S	S	*	*				39.3	90.7	122.2	-38.8	0	0	0	0	117
20	A	26	Very low	25.8	Very low	101 Å²	101	142.5 Å²	142.5	84%	0.835	75%	0.754	S	S	*	*			trans	-129.3	101.2	154.9	0	0	0	0	0	109.2
21	S	20.7	Very low	25.5	Very low	102 Å²	102	151.6 Å²	151.6	71%	0.713	79%	0.785	S	S	*	*			trans	-57.1	145.2	160.2	71.9	0	0	0	0	109.6
22	M	25.4	Very low	25.4	Very low	164 Å²	164	149 Å²	149	81%	0.808	79%	0.791	S	S	*	*			trans	178.1	105.3	131	-87.6	-94.7	163.8	0	0	110.5
23	T	22.2	Very low	25.3	Very low	121 Å²	121	147.8 Å²	147.8	74%	0.742	80%	0.799	S	S	*	*			trans	27.3	125.2	133.3	30.4	0	0	0	0	121.4
24	T	30.1	Very low	25.4	Very low	123 Å²	123	143.4 Å²	143.4	76%	0.755	79%	0.791	S	S	*	*			trans	-41	155.6	156.8	52.7	0	0	0	0	115.3
25	P	29.4	Very low	25.5	Very low	127 Å²	127	144.7 Å²	144.7	83%	0.825	79%	0.794	S	S	*	*				-147.8	159.6	89.5	35.2	-15.6	0	0	0	117.4
26	F	24.3	Very low	25.9	Very low	175 Å²	175	144.9 Å²	144.9	77%	0.768	79%	0.794	S	S	*	*			trans	-44.1	149.8	168.5	-81.4	-105.1	0	0	0	117.6
27	S	27.8	Very low	26.2	Very low	110 Å²	110	143.2 Å²	143.2	77%	0.769	79%	0.792	S	S	*	*			trans	-177	102.2	132.7	30.5	0	0	0	0	109.8
28	K	24.2	Very low	26.2	Very low	180 Å²	180	142.5 Å²	142.5	78%	0.783	79%	0.788	S	S	*	*				36.8	101.9	90.3	-71.3	-175.7	-178.1	174.5	0	115
29	L	29.8	Very low	26.8	Very low	161 Å²	161	143.4 Å²	143.4	84%	0.843	79%	0.793	S	S	*	*			trans	-160	101.1	147.1	-95.6	137.7	0	0	0	107.9
30	L	22.9	Very low	27.2	Very low	150 Å²	150	148.9 Å²	148.9	79%	0.785	79%	0.794	S	S	*	*				77.2	96.9	92.7	-100.7	85.4	0	0	0	115.6
31	R	23	Very low	27.3	Very low	241 Å²	241	152.3 Å²	152.3	91%	0.909	80%	0.797	S	S	*	*				42.9	119.2	119.5	-148.9	-177.8	-149	-138.3	6	118
32	S	23.8	Very low	27.9	Very low	109 Å²	109	152.8 Å²	152.8	76%	0.762	80%	0.801	S	S	*	*				164.3	145.3	106.9	-169.3	0	0	0	0	112.8
33	T	25.8	Very low	28	Very low	123 Å²	123	151.4 Å²	151.4	76%	0.755	80%	0.802	S	S	*	*			trans	-62.6	148.2	175.2	53.4	0	0	0	0	114.4
34	S	27.9	Very low	28.4	Very low	108 Å²	108	157.1 Å²	157.1	76%	0.755	81%	0.81	S	S	*	*				173.1	131.4	113.4	57.8	0	0	0	0	114.9
35	K	28.1	Very low	28.3	Very low	193 Å²	193	156.6 Å²	156.6	84%	0.839	81%	0.811	S	S	*	*			trans	49	110.2	136.6	-61.3	-178	179.2	-179.6	0	121
36	L	33.1	Very low	28.2	Very low	134 Å²	134	157 Å²	157	70%	0.702	81%	0.811	S	S	*	*				42.5	136.1	128.9	-86	143.6	0	0	0	119.4
37	P	32.2	Very low	28.4	Very low	120 Å²	120	153.7 Å²	153.7	78%	0.779	81%	0.81	S	S	*	*				-138	138.4	97.6	34.1	-20.6	0	0	0	115.3	K39	P37-K39 PolarHBondContact O-N 2.74Å
38	N	28.7	Very low	28.4	Very low	144 Å²	144	155.6 Å²	155.6	77%	0.77	81%	0.81	S	S	*	*			trans	-60.3	121.9	162.3	-76.7	-37.4	0	0	0	110.6
39	K	35.2	Very low	28.8	Very low	201 Å²	201	152.4 Å²	152.4	87%	0.874	81%	0.806	S	S	*	*			trans	-129.9	100.1	157.9	-85.3	-172.6	178.2	177.3	0	111.4	P37	P37-K39 PolarHBondContact O-N 2.74Å
40	R	30.2	Very low	28.6	Very low	239 Å²	239	153.8 Å²	153.8	90%	0.902	81%	0.805	S	S	*	*			trans	10.2	119.3	150	-68.8	-177.6	173.5	-176.6	-3	118.1	S42	R40-S42 PolarHBondContact O-N 3.31Å
41	L	29.2	Very low	28.9	Very low	173 Å²	173	156 Å²	156	91%	0.906	81%	0.808	S	S	*	*			trans	-26	119.2	148.9	-65.7	150.5	0	0	0	113.4
42	S	32	Very low	28.9	Very low	113 Å²	113	149.6 Å²	149.6	79%	0.79	80%	0.801	S	S	*	*			trans	-114.4	96.2	159.8	176.1	0	0	0	0	108	R40 R44	R40-S42 PolarHBondContact O-N 3.31Å; S42-R44 PolarHBondContact O-N 2.9Å
43	T	28.6	Very low	28.9	Very low	135 Å²	135	150.4 Å²	150.4	83%	0.828	80%	0.801	S	S	*	*			trans	-64	103.6	167	36.8	0	0	0	0	109.4
44	R	29.3	Very low	29	Very low	240 Å²	240	149.6 Å²	149.6	91%	0.906	81%	0.806	S	S	*	*			trans	-104.8	114.6	169.5	-169.7	172.9	169.4	-158.7	-3.8	109.5	S42	S42-R44 PolarHBondContact O-N 2.9Å
45	S	30	Very low	28.8	Very low	113 Å²	113	149.7 Å²	149.7	79%	0.79	81%	0.807	S	S	*	*			trans	-53.7	143.7	-175	-63.5	0	0	0	0	115.4
46	T	26.5	Very low	28.9	Very low	134 Å²	134	150 Å²	150	82%	0.822	81%	0.808	S	S	*	*			trans	-68	126.3	164	51.2	0	0	0	0	111.4
47	S	28.3	Very low	28.5	Very low	106 Å²	106	148 Å²	148	74%	0.741	81%	0.805	S	S	*	*			trans	-127.4	106.1	156.1	68.6	0	0	0	0	109.6	V49	S47-V49 PolarHBondContact O-N 3.03Å
48	I	28.9	Very low	28.2	Very low	150 Å²	150	148.9 Å²	148.9	77%	0.769	81%	0.809	S	S	*	*			trans	-75.4	104.1	173.3	-62.7	166.6	0	0	0	107.2	K50	I48-K50 HydrophobicContact CG2-CG 4.15Å; I48-K50 PolarHBondContact O-N 3.02Å
49	V	31.7	Very low	28.2	Very low	114 Å²	114	147.3 Å²	147.3	69%	0.691	81%	0.809	S	S	*	*			trans	-83.8	97.7	170.4	179.5	0	0	0	0	108	S47 K51	S47-V49 PolarHBondContact O-N 3.03Å; V49-K51 HydrophobicContact CG1-CG 4.18Å; V49-K51 PolarHBondContact O-N 3.46Å
50	K	25.1	Very low	27.7	Very low	189 Å²	189	143.6 Å²	143.6	82%	0.822	80%	0.804	S	S	*	*			trans	-72.2	108.8	163.9	-64.6	179.4	180	178.6	0	107.7	I48	I48-K50 HydrophobicContact CG2-CG 4.15Å; I48-K50 PolarHBondContact O-N 3.02Å
51	K	30	Very low	27.5	Very low	196 Å²	196	139 Å²	139	85%	0.852	80%	0.796	S	S	*	*			trans	-100.8	109.3	161	-86.5	-173.8	176.7	-178	0	109.1	V49	V49-K51 HydrophobicContact CG1-CG 4.18Å; V49-K51 PolarHBondContact O-N 3.46Å
52	S	23.4	Very low	27.3	Very low	108 Å²	108	136.9 Å²	136.9	76%	0.755	79%	0.785	S	S	*	*			trans	-73.4	135.9	173.5	45.6	0	0	0	0	112.1
53	V	23.3	Very low	26.9	Very low	126 Å²	126	136.9 Å²	136.9	76%	0.764	78%	0.78	S	S	*	*			trans	20.4	118.4	143.3	-169.5	0	0	0	0	117.6
54	A	27.6	Very low	26.9	Very low	106 Å²	106	135.1 Å²	135.1	88%	0.876	77%	0.774	S	S	*	*			trans	-132.5	94.2	144.9	0	0	0	0	0	108.8
55	S	24.7	Very low	26.9	Very low	109 Å²	109	130.6 Å²	130.6	76%	0.762	77%	0.767	S	S	*	*			trans	-79.3	119.2	161.5	-55.4	0	0	0	0	108.2
56	K	28.9	Very low	27	Very low	199 Å²	199	133.8 Å²	133.8	87%	0.865	77%	0.767	S	S	*	*			trans	-156.9	102.3	153.4	-146.6	160.4	-176.9	-179.2	0	112.5
57	S	25.4	Very low	27	Very low	92 Å²	92	138.2 Å²	138.2	64%	0.643	77%	0.77	S	S	*	*			trans	17.9	124.9	138.9	58.9	0	0	0	0	120
58	T	24.8	Very low	27.2	Very low	139 Å²	139	143.7 Å²	143.7	85%	0.853	78%	0.776	S	S	*	*			trans	-2.5	127.8	139.1	47.9	0	0	0	0	117.9
59	S	29	Very low	27	Very low	112 Å²	112	144.4 Å²	144.4	78%	0.783	77%	0.774	S	S	*	*			trans	-146.8	113.2	146.4	-172	0	0	0	0	109.9
60	T	24.9	Very low	27	Very low	123 Å²	123	144.1 Å²	144.1	76%	0.755	77%	0.774	S	S	*	*			trans	-50.1	149.8	153.3	-44	0	0	0	0	110.4
61	I	26.2	Very low	27.3	Very low	143 Å²	143	140.5 Å²	140.5	73%	0.733	76%	0.764	S	S	*	*			trans	175.2	116.3	135.6	-87.5	155.5	0	0	0	111.3
62	N	24.2	Very low	27.5	Very low	127 Å²	127	139.6 Å²	139.6	68%	0.679	76%	0.763	S	S	*	*			trans	77.3	113.4	134.8	-74.5	-1.3	0	0	0	126.1
63	T	25	Very low	28	Very low	113 Å²	113	142.2 Å²	142.2	69%	0.693	77%	0.768	S	S	*	*				60.2	114.5	117.9	69.9	0	0	0	0	120
64	S	27.2	Very low	28.2	Very low	99 Å²	99	144.5 Å²	144.5	69%	0.692	77%	0.77	S	S	*	*				157.7	128.8	92.8	-74.6	0	0	0	0	111.5
65	D	30	Very low	28.3	Very low	144 Å²	144	150.4 Å²	150.4	77%	0.77	77%	0.772	S	S	*	*			trans	73.6	119.6	141.7	-71.4	-18	0	0	0	122.7
66	K	31.4	Very low	28.4	Very low	181 Å²	181	154.6 Å²	154.6	79%	0.787	77%	0.772	S	S	*	*			trans	91	94.9	142.7	-69.8	174.7	-175.9	-178.3	0	117.8	Y68	K66-Y68 PolarHBondContact O-N 3.47Å
67	Y	27.5	Very low	28.6	Very low	226 Å²	226	154.1 Å²	154.1	89%	0.886	77%	0.773	S	S	*	*				23.7	99.1	119.6	-71	-85.5	0	0	0	115.6
68	Y	31.7	Very low	28.7	Very low	221 Å²	221	155.7 Å²	155.7	87%	0.867	77%	0.774	S	S	*	*				-147.9	122.4	126.6	-117.6	-88.3	0	0	0	107.4	K66	K66-Y68 PolarHBondContact O-N 3.47Å
69	K	25.8	Very low	28.9	Very low	166 Å²	166	155.5 Å²	155.5	72%	0.722	77%	0.768	S	S	*	*			trans	-121.9	99.2	175.1	-160.4	-179.6	-171.2	-78.2	0	105.5	D71	K69-D71 IonicContact NZ-OD1 2.71Å; K69-D71 PolarHBondContact NZ-OD1 3.49Å; K69-D71 IonicContact NZ-OD2 3.59Å
70	P	31.3	Very low	28.9	Very low	107 Å²	107	158.2 Å²	158.2	70%	0.695	77%	0.768	S	S	*	*			trans	-97.9	121.7	145.9	4.4	15.6	0	0	0	106.6
71	D	31.1	Very low	29.3	Very low	114 Å²	114	161.6 Å²	161.6	61%	0.61	78%	0.776	S	S	*	*			trans	-64	160.9	165.5	-64.2	-54.5	0	0	0	110.2	K69	K69-D71 IonicContact NZ-OD1 2.71Å; K69-D71 PolarHBondContact NZ-OD1 3.49Å; K69-D71 IonicContact NZ-OD2 3.59Å
72	E	34.8	Very low	29.4	Very low	176 Å²	176	163.4 Å²	163.4	82%	0.822	78%	0.781	S	S	*	*			trans	93.9	74.7	164.1	-47	-154.7	-173.2	0	0	117.2	E74	E72-E74 PolarHBondContact O-N 2.81Å
73	D	32.5	Very low	29.8	Very low	164 Å²	164	161.5 Å²	161.5	88%	0.877	78%	0.777	S	S	*	*				36.9	76.3	112.4	-56.1	-24.1	0	0	0	117.9
74	E	28.7	Very low	30	Very low	173 Å²	173	162.4 Å²	162.4	81%	0.808	78%	0.778	S	S	*	*			trans	-124.7	104.7	147.7	-77.1	-158.1	-160	0	0	109.5	E72	E72-E74 PolarHBondContact O-N 2.81Å
75	Y	29.5	Very low	30.1	Very low	231 Å²	231	163.8 Å²	163.8	91%	0.906	78%	0.778	S	S	*	*			trans	-136.8	103.5	159	-105.8	-92.3	0	0	0	109.2
76	Y	26.1	Very low	30	Very low	197 Å²	197	162.3 Å²	162.3	77%	0.773	77%	0.774	S	S	*	*			trans	-72.1	129.7	150.5	-90.4	-98	0	0	0	108.3
77	E	33.5	Very low	30	Very low	189 Å²	189	156.6 Å²	156.6	88%	0.883	76%	0.757	S	S	*	*			trans	-137.5	117.2	136.7	-90.3	-146.3	164.5	0	0	109.6
78	D	26.5	Very low	30	Very low	125 Å²	125	152.8 Å²	152.8	67%	0.668	75%	0.75	S	S	*	*			trans	-65.9	159.3	161.1	-87.6	-42.2	0	0	0	111.4
79	D	29.8	Very low	30	Very low	134 Å²	134	146.4 Å²	146.4	72%	0.717	73%	0.734	S	S	*	*			trans	87.2	109.1	148.2	-69.6	-22	0	0	0	121.5
80	Q	29.5	Very low	30	Very low	169 Å²	169	142.7 Å²	142.7	79%	0.79	73%	0.726	S	S	*	*			trans	81.6	107.5	135	-64.8	-168.4	42.4	0	0	119.2
81	E	33.8	Very low	29.7	Very low	195 Å²	195	142.2 Å²	142.2	91%	0.911	72%	0.721	S	S	*	*				-149.8	109.6	109.9	-107.2	176.8	-164.8	0	0	109.7	S83	E81-S83 VanDerWaalsContact C-N 3.31Å; E81-S83 PolarHBondContact O-N 3Å
82	Q	28.5	Very low	29.4	Very low	180 Å²	180	140.4 Å²	140.4	84%	0.841	71%	0.714	S	S	*	*			trans	-63.1	92	169.6	-169.2	167.7	18.8	0	0	108	N84	Q82-N84 PolarHBondContact O-N 2.98Å
83	S	31.4	Very low	28.9	Very low	87 Å²	87	137.7 Å²	137.7	61%	0.608	71%	0.71	S	S	*	*			trans	-63.4	100.3	172.6	179.6	0	0	0	0	108.3	E81 N85	E81-S83 VanDerWaalsContact C-N 3.31Å; E81-S83 PolarHBondContact O-N 3Å; S83-N85 PolarHBondContact O-N 2.93Å; S83-N85 PolarHBondContact OG-OD1 2.89Å
84	N	28.9	Very low	28.5	Very low	133 Å²	133	135.2 Å²	135.2	71%	0.711	70%	0.7	S	S	*	*			trans	-59.9	90.3	159.5	-66	-41.1	0	0	0	106.9	Q82 T86	Q82-N84 PolarHBondContact O-N 2.98Å; N84-T86 PolarHBondContact O-N 3.3Å; N84-T86 PolarHBondContact O-OG1 3.17Å
85	N	31	Very low	28.3	Very low	128 Å²	128	136 Å²	136	68%	0.684	70%	0.701	S	S	*	*			trans	-66.5	73.5	172.9	-75.7	-7.8	0	0	0	108.8	S83 S87	S83-N85 PolarHBondContact O-N 2.93Å; S83-N85 PolarHBondContact OG-OD1 2.89Å; N85-S87 PolarHBondContact O-N 2.79Å; N85-S87 VanDerWaalsContact O-N 3.12Å
86	T	27.2	Very low	28.1	Very low	112 Å²	112	130.6 Å²	130.6	69%	0.687	69%	0.694	S	S	*	*			trans	-68	105.7	162.9	-50.1	0	0	0	0	104.4	N84 I88	N84-T86 PolarHBondContact O-N 3.3Å; N84-T86 PolarHBondContact O-OG1 3.17Å; T86-I88 WeakPolarHBondContact O-CG1 3.5Å; T86-I88 PolarHBondContact O-N 3.33Å
87	S	31.7	Very low	28	Very low	62 Å²	62	130.4 Å²	130.4	43%	0.434	70%	0.697	S	S	.	*			trans	-49.9	104.9	174.7	-118.9	0	0	0	0	109	N85 V89	N85-S87 PolarHBondContact O-N 2.79Å; N85-S87 VanDerWaalsContact O-N 3.12Å; S87-V89 PolarHBondContact O-N 3.23Å
88	I	26.7	Very low	27.4	Very low	145 Å²	145	130.3 Å²	130.3	74%	0.744	70%	0.697	S	S	*	*			trans	-77.6	94.9	176.9	-53.6	177.7	0	0	0	106.1	T86 T90	T86-I88 WeakPolarHBondContact O-CG1 3.5Å; T86-I88 PolarHBondContact O-N 3.33Å; I88-T90 PolarHBondContact O-N 2.94Å; I88-T90 PolarHBondContact O-OG1 3.32Å
89	V	31	Very low	27.5	Very low	88 Å²	88	132 Å²	132	53%	0.533	71%	0.705	S	S	.	*			trans	-62	98.2	171.8	179.7	0	0	0	0	108.1	S87	S87-V89 PolarHBondContact O-N 3.23Å
90	T	26.4	Very low	27.1	Very low	88 Å²	88	131.3 Å²	131.3	54%	0.54	71%	0.705	S	S	.	*			trans	-91.8	108.3	178.7	-57.8	0	0	0	0	109.1	I88	I88-T90 PolarHBondContact O-N 2.94Å; I88-T90 PolarHBondContact O-OG1 3.32Å
91	T	25.1	Very low	26.8	Very low	97 Å²	97	132.4 Å²	132.4	60%	0.595	71%	0.71	S	S	*	*			trans	-96.5	110.4	172.7	-51.9	0	0	0	0	108.7
92	T	25.6	Very low	26.4	Very low	75 Å²	75	129.8 Å²	129.8	46%	0.46	71%	0.707	S	S	.	*			trans	-101.5	108	177.1	-51.9	0	0	0	0	110
93	T	24.6	Very low	26.1	Very low	119 Å²	119	128.3 Å²	128.3	73%	0.73	70%	0.701	S	S	*	*			trans	-95.2	112.3	171.4	-46.6	0	0	0	0	109.2
94	V	24	Very low	25.7	Very low	113 Å²	113	132.4 Å²	132.4	69%	0.685	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-81.9	121.8	175.7	-165.7	0	0	0	0	108.7
95	K	23.7	Very low	25.6	Very low	189 Å²	189	134.1 Å²	134.1	82%	0.822	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-65.7	140.2	179.9	-74.6	-177	177.4	179.5	0	111.3	K97	K95-K97 PolarHBondContact O-N 3.15Å
96	P	24.5	Very low	25.3	Very low	117 Å²	117	132.9 Å²	132.9	76%	0.76	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-66.9	118.4	-179.2	25.3	-32.5	0	0	0	110.7
97	K	23.8	Very low	25.3	Very low	193 Å²	193	132.8 Å²	132.8	84%	0.839	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-80.9	119.1	169.6	-157.1	175.7	-175.8	-178.8	0	107.6	K95 I99	K95-K97 PolarHBondContact O-N 3.15Å; K97-I99 PolarHBondContact O-N 2.93Å
98	Q	20.8	Very low	25.3	Very low	187 Å²	187	135.7 Å²	135.7	87%	0.874	74%	0.737	S	S	*	*			trans	-58.5	104.5	178.6	-167.9	176.2	15.3	0	0	109.9
99	I	28.5	Very low	25.6	Very low	162 Å²	162	138.6 Å²	138.6	83%	0.831	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-89.2	116.7	175	-56.5	177.1	0	0	0	107.9	K97	K97-I99 PolarHBondContact O-N 2.93Å
100	V	23.2	Very low	25.9	Very low	119 Å²	119	137.6 Å²	137.6	72%	0.721	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-65.9	136	175.5	174.5	0	0	0	0	109.4	T102	V100-T102 PolarHBondContact O-N 3.34Å
101	Q	22.2	Very low	26.7	Very low	191 Å²	191	136.9 Å²	136.9	89%	0.893	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-56.1	123	176.6	-72.4	168	-2.4	0	0	111.5
102	T	24.8	Very low	27.3	Very low	141 Å²	141	136.9 Å²	136.9	87%	0.865	74%	0.744	S	S	*	*			trans	-124.9	125.2	155.8	-35.3	0	0	0	0	108.6	V100	V100-T102 PolarHBondContact O-N 3.34Å
103	E	22.7	Very low	28.4	Very low	149 Å²	149	137.4 Å²	137.4	70%	0.696	74%	0.742	S	S	*	*			trans	-66.3	151.2	-172.1	-81.6	-178.4	101.7	0	0	115.5
104	K	22.7	Very low	29.3	Very low	173 Å²	173	134.3 Å²	134.3	75%	0.752	72%	0.72	S	S	*	*			trans	65.5	95.9	143.3	-73.2	169.6	-177.4	149.6	0	119.4
105	I	27.1	Very low	30.4	Very low	169 Å²	169	132.4 Å²	132.4	87%	0.867	70%	0.703	S	S	*	*				-140.1	137.7	125.1	-47.4	176.8	0	0	0	108.3
106	S	25.3	Very low	31.4	Very low	101 Å²	101	125.7 Å²	125.7	71%	0.706	68%	0.678	S	S	*	*			trans	-60.9	134.1	-177.9	52.1	0	0	0	0	115.2
107	S	27.5	Very low	32.8	Very low	110 Å²	110	120.2 Å²	120.2	77%	0.769	64%	0.643	S	S	*	*			trans	36.2	127.5	153	65.6	0	0	0	0	119.9
108	P	31.2	Very low	34.1	Very low	124 Å²	124	111.2 Å²	111.2	81%	0.805	60%	0.604	S	S	*	*	S	Bend		-136.9	160.1	73.5	35.2	-19.5	0	0	0	114.7
109	K	31.8	Very low	35.8	Very low	205 Å²	205	104.8 Å²	104.8	89%	0.891	57%	0.573	S	S	*	*	S	Bend	trans	18.3	104.8	169.4	-78.1	175.8	178.1	171.8	0	116.2	S111	K109-S111 PolarHBondContact O-N 2.93Å
110	S	38.2	Very low	37	Very low	67 Å²	67	97.3 Å²	97.3	47%	0.469	53%	0.534	S	S	.	.			trans	-21.9	98.3	171.1	66.1	0	0	0	0	115	S112 Q113	S110-S112 WeakPolarHBondContact CB-OG 3.33Å; S110-S112 PolarHBondContact O-N 3.05Å; S110-Q113 PolarHBondContact O-N 3.18Å
111	S	42.9	Very low	38.5	Very low	73 Å²	73	92.4 Å²	92.4	51%	0.51	51%	0.505	S	S	.	.	G	3₁₀ helix	trans	-34.8	-28.2	154.8	160.4	0	0	0	0	113.9	K109 Q113 E249	K109-S111 PolarHBondContact O-N 2.93Å; S111-Q113 PolarHBondContact O-N 2.99Å; S111-E249 WeakPolarHBondContact CB-OE2 3.31Å; S111-E249 PolarHBondContact OG-OE2 3.45Å
112	S	38.6	Very low	40.1	Very low	98 Å²	98	83.4 Å²	83.4	69%	0.685	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-71.3	7.3	-177.6	65	0	0	0	0	117.2	S110	S110-S112 WeakPolarHBondContact CB-OG 3.33Å; S110-S112 PolarHBondContact O-N 3.05Å
113	Q	48.5	Very low	41.4	Very low	86 Å²	86	77.5 Å²	77.5	40%	0.402	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-84.5	-12.8	178	-82.7	178.2	12.4	0	0	114.4	S110 S111 G151	S110-Q113 PolarHBondContact O-N 3.18Å; S111-Q113 PolarHBondContact O-N 2.99Å; Q113-G151 WeakPolarHBondContact O-CA 3.4Å; Q113-G151 PolarHBondContact O-N 2.76Å
114	L	42.5	Very low	43	Very low	54 Å²	54	71.3 Å²	71.3	28%	0.283	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	115.8	-178.8	-58.2	163.3	0	0	0	108.3	L150 F248	L114-L150 HydrophobicContact CD2-CD2 3.45Å; L114-L150 VanDerWaalsContact CD2-CD2 3.45Å; L114-F248 HydrophobicContact CB-CB 4.5Å; L114-F248 HydrophobicContact CB-CD1 3.61Å; L114-F248 HydrophobicContact CB-CE1 4.35Å; L114-F248 HydrophobicContact CD1-CD1 3.62Å; L114-F248 HydrophobicContact CD1-CE1 3.78Å; L114-F248 HydrophobicContact CD2-CD1 4.33Å; L114-F248 HydrophobicContact CD2-CE1 4.24Å; L114-F248 HydrophobicContact CG-CD1 4.02Å; L114-F248 HydrophobicContact CG-CE1 4.32Å
115	K	47.4	Very low	44.2	Very low	72 Å²	72	66.2 Å²	66.2	31%	0.313	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	169.2	-179.9	-80.7	178.6	-176.1	168.3	0	108.6	M117 K149 D152	K115-M117 PolarHBondContact O-N 3.41Å; K115-K149 HydrophobicContact CB-CB 3.78Å; K115-K149 HydrophobicContact CB-CD 3.74Å; K115-K149 HydrophobicContact CB-CG 3.7Å; K115-K149 HydrophobicContact CD-CD 4.2Å; K115-K149 HydrophobicContact CD-CG 4.48Å; K115-K149 PolarHBondContact N-O 2.88Å; K115-D152 IonicContact NZ-OD1 3.8Å; K115-D152 PolarHBondContact NZ-OD1 2.57Å; K115-D152 IonicContact NZ-OD2 2.66Å
116	P	44.4	Very low	45.3	Very low	48 Å²	48	60.4 Å²	60.4	31%	0.312	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-45.6	137.6	-170.6	11.3	-31	0	0	0	114.5	K149 I244 S245	P116-K149 WeakPolarHBondContact O-CB 3.43Å; P116-I244 HydrophobicContact CB-CG2 4.09Å; P116-S245 CarbonylContact C-O 3.56Å; P116-S245 WeakPolarHBondContact CA-O 3.27Å; P116-S245 WeakPolarHBondContact CB-O 3.17Å
117	M	55	Low	46.5	Very low	2 Å²	2	57.4 Å²	57.4	1%	0.01	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	133.3	178.4	173.9	-174.6	64.2	0	0	109.7	K115 W146 I148 I244 S245 F248 Q251	K115-M117 PolarHBondContact O-N 3.41Å; M117-W146 HydrophobicContact CE-CE3 3.6Å; M117-W146 HydrophobicContact CE-CH2 4.48Å; M117-W146 HydrophobicContact CE-CZ3 3.3Å; M117-W146 HydrophobicContact CG-CE3 4.29Å; M117-W146 HydrophobicContact SD-CD2 4.27Å; M117-W146 HydrophobicContact SD-CE3 3.24Å; M117-W146 HydrophobicContact SD-CZ3 3.6Å; M117-I148 HydrophobicContact CG-CG1 3.99Å; M117-I148 HydrophobicContact SD-CG1 4.31Å; M117-I244 CarbonylContact O-C 3.52Å; M117-I244 VanDerWaalsContact O-CA 3.3Å; M117-I244 WeakPolarHBondContact O-CA 3.23Å; M117-S245 PolarHBondContact N-O 2.71Å; M117-S245 PolarHBondContact O-N 3.34Å; M117-F248 HydrophobicContact CB-CB 4.14Å; M117-F248 HydrophobicContact CB-CD2 3.48Å; M117-F248 VanDerWaalsContact CB-CD2 3.48Å; M117-F248 HydrophobicContact CB-CE2 4.19Å; M117-F248 HydrophobicContact CB-CG 4.09Å; M117-F248 HydrophobicContact CE-CD2 3.99Å; M117-F248 HydrophobicContact CE-CE2 4.43Å; M117-F248 HydrophobicContact CG-CD2 3.77Å; M117-F248 HydrophobicContact CG-CE2 4.02Å; M117-F248 HydrophobicContact SD-CD2 3.23Å; M117-F248 WeakPolarHBondContact SD-CD2 3.36Å; M117-F248 HydrophobicContact SD-CE2 3.23Å; M117-F248 WeakPolarHBondContact SD-CE2 3.43Å; M117-Q251 HydrophobicContact CE-CB 3.94Å; M117-Q251 HydrophobicContact CE-CG 4.43Å
118	L	51.7	Low	47.5	Very low	4 Å²	4	55.2 Å²	55.2	2%	0.021	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	138.7	164.1	-99.4	79.4	0	0	0	109.4	W146 V147 M205 L242 W243 I244	L118-W146 CarbonylContact O-C 3.28Å; L118-V147 HydrophobicContact CB-CB 3.68Å; L118-V147 HydrophobicContact CB-CG1 4.34Å; L118-V147 HydrophobicContact CB-CG2 4.2Å; L118-V147 PolarHBondContact N-O 2.86Å; L118-V147 PolarHBondContact O-N 3.21Å; L118-M205 HydrophobicContact CD1-CE 3.78Å; L118-M205 HydrophobicContact CD1-SD 3.73Å; L118-M205 HydrophobicContact CD2-CE 4.17Å; L118-M205 HydrophobicContact CD2-SD 4.43Å; L118-L242 HydrophobicContact CB-CD1 4.19Å; L118-L242 HydrophobicContact CD2-CD1 3.78Å; L118-L242 HydrophobicContact CD2-CD2 3.82Å; L118-L242 HydrophobicContact CD2-CG 4.27Å; L118-L242 HydrophobicContact CG-CD1 3.99Å; L118-L242 HydrophobicContact CG-CD2 4.36Å; L118-L242 HydrophobicContact CG-CG 4.42Å; L118-W243 CarbonylContact C-O 3.58Å; L118-W243 WeakPolarHBondContact CA-O 3.48Å; L118-I244 HydrophobicContact CD1-CD1 4.25Å; L118-I244 HydrophobicContact CD1-CG1 3.96Å; L118-I244 HydrophobicContact CD1-CG2 4.15Å; L118-I244 HydrophobicContact CG-CG1 4Å
119	K	56.3	Low	48.5	Very low	53 Å²	53	52.3 Å²	52.3	23%	0.23	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	114.3	169.8	178.8	-163.5	-171.8	179.2	0	108.1	T121 T144 T145 W146 L242 W243	K119-T121 WeakPolarHBondContact CE-OG1 3.19Å; K119-T144 HydrophobicContact CD-CG2 4.18Å; K119-T144 HydrophobicContact CG-CG2 3.84Å; K119-T145 CarbonylContact C-O 3.54Å; K119-W146 HydrophobicContact CB-CD2 4.38Å; K119-W146 HydrophobicContact CB-CE3 3.56Å; K119-W146 HydrophobicContact CB-CZ3 3.7Å; K119-W146 HydrophobicContact CD-CE3 3.99Å; K119-W146 HydrophobicContact CD-CH2 3.5Å; K119-W146 HydrophobicContact CD-CZ2 4.07Å; K119-W146 HydrophobicContact CD-CZ3 3.43Å; K119-W146 VanDerWaalsContact CD-CZ3 3.43Å; K119-W146 VanDerWaalsContact CE-CH2 3.47Å; K119-W146 HydrophobicContact CG-CD2 3.98Å; K119-W146 HydrophobicContact CG-CE3 3.52Å; K119-W146 HydrophobicContact CG-CH2 3.97Å; K119-W146 HydrophobicContact CG-CZ2 4.3Å; K119-W146 HydrophobicContact CG-CZ3 3.53Å; K119-L242 CarbonylContact O-C 3.26Å; K119-L242 VanDerWaalsContact O-CA 3.29Å; K119-L242 WeakPolarHBondContact O-CA 3.43Å; K119-W243 HydrophobicContact CB-CB 4.08Å; K119-W243 HydrophobicContact CD-CG 4.45Å; K119-W243 PolarHBondContact N-O 3.49Å; K119-W243 PolarHBondContact O-N 3.21Å
120	K	52.8	Low	49.5	Very low	4 Å²	4	51.1 Å²	51.1	2%	0.017	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	128.8	167.2	177.5	-178.5	-168.4	-172.8	0	107.9	I122 T144 T145 F213 L214 S241 L242	K120-I122 HydrophobicContact CD-CD1 4.08Å; K120-I122 HydrophobicContact CD-CG1 4.16Å; K120-I122 HydrophobicContact CG-CD1 4.44Å; K120-I122 HydrophobicContact CG-CG1 3.97Å; K120-T144 CarbonylContact O-C 3.49Å; K120-T144 WeakPolarHBondContact O-CA 3.38Å; K120-T145 WeakPolarHBondContact CA-O 3.42Å; K120-T145 PolarHBondContact N-O 3.08Å; K120-T145 WeakPolarHBondContact O-CA 2.9Å; K120-T145 PolarHBondContact O-N 3.04Å; K120-T145 VanDerWaalsContact O-O 3.1Å; K120-F213 HydrophobicContact CB-CE1 4.07Å; K120-F213 HydrophobicContact CD-CD1 4.25Å; K120-F213 HydrophobicContact CD-CE1 3.79Å; K120-F213 HydrophobicContact CD-CZ 4.37Å; K120-F213 HydrophobicContact CG-CE1 4.5Å; K120-F213 PolarHBondContact NZ-O 3.04Å; K120-L214 HydrophobicContact CB-CD2 4.46Å; K120-L214 HydrophobicContact CD-CD2 3.85Å; K120-L214 HydrophobicContact CG-CD2 3.73Å; K120-L214 PolarHBondContact NZ-O 3.22Å; K120-L214 VanDerWaalsContact NZ-O 3.08Å; K120-S241 CarbonylContact C-O 3.53Å; K120-S241 VanDerWaalsContact CA-O 3.27Å; K120-S241 WeakPolarHBondContact CA-O 3.48Å; K120-L242 HydrophobicContact CB-CD1 4.25Å
121	T	54.4	Low	50.2	Low	17 Å²	17	55.6 Å²	55.6	10%	0.104	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	127.6	167	-64.6	0	0	0	0	107.3	K119 V123 T142 E143 T144 S241	K119-T121 WeakPolarHBondContact CE-OG1 3.19Å; T121-V123 HydrophobicContact CG2-CG2 4.44Å; T121-T142 HydrophobicContact CG2-CG2 3.51Å; T121-E143 CarbonylContact C-O 3.52Å; T121-E143 WeakPolarHBondContact CA-O 3.48Å; T121-T144 PolarHBondContact OG1-OG1 2.9Å; T121-S241 PolarHBondContact N-O 2.79Å; T121-S241 PolarHBondContact O-N 3.07Å
122	I	55.8	Low	50.5	Low	2 Å²	2	53.4 Å²	53.4	1%	0.01	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	127.6	175.7	-46	168.6	0	0	0	106.5	K120 Y124 T142 E143 V237 S239 K240	K120-I122 HydrophobicContact CD-CD1 4.08Å; K120-I122 HydrophobicContact CD-CG1 4.16Å; K120-I122 HydrophobicContact CG-CD1 4.44Å; K120-I122 HydrophobicContact CG-CG1 3.97Å; I122-Y124 HydrophobicContact CB-CE2 3.7Å; I122-Y124 VanDerWaalsContact CD1-OH 3.24Å; I122-Y124 WeakPolarHBondContact CD1-OH 3.06Å; I122-Y124 HydrophobicContact CG2-CD1 4.22Å; I122-Y124 HydrophobicContact CG2-CD2 4.11Å; I122-Y124 HydrophobicContact CG2-CE1 3.67Å; I122-Y124 HydrophobicContact CG2-CE2 3.48Å; I122-Y124 VanDerWaalsContact CG2-CE2 3.48Å; I122-Y124 HydrophobicContact CG2-CG 4.45Å; I122-T142 CarbonylContact O-C 3.48Å; I122-T142 WeakPolarHBondContact O-CA 3.35Å; I122-E143 PolarHBondContact N-O 2.9Å; I122-E143 PolarHBondContact O-N 3.26Å; I122-V237 HydrophobicContact CG2-CG1 3.9Å; I122-V237 HydrophobicContact CG2-CG2 4.4Å; I122-S239 WeakPolarHBondContact CA-O 3.49Å; I122-K240 HydrophobicContact CG2-CG 4.26Å
123	V	53.3	Low	50.9	Low	16 Å²	16	54.2 Å²	54.2	10%	0.097	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	128.3	171.8	-175.7	0	0	0	0	107.6	T121 E140 I141 T142 V238 S239	T121-V123 HydrophobicContact CG2-CG2 4.44Å; V123-E140 HydrophobicContact CG1-CB 3.87Å; V123-E140 HydrophobicContact CG1-CG 4.2Å; V123-I141 CarbonylContact C-O 3.5Å; V123-I141 WeakPolarHBondContact CA-O 3.48Å; V123-T142 HydrophobicContact CG2-CG2 4.18Å; V123-V238 HydrophobicContact CB-CB 4.39Å; V123-V238 HydrophobicContact CG1-CB 4.29Å; V123-V238 PolarHBondContact O-N 3.2Å; V123-S239 WeakPolarHBondContact CG2-OG 3.41Å; V123-S239 PolarHBondContact N-O 3.46Å; V123-S239 PolarHBondContact O-N 2.84Å
124	Y	54.5	Low	50.9	Low	20 Å²	20	54.5 Å²	54.5	8%	0.078	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	144.2	175.4	-50.3	-95.9	0	0	0	109.7	I122 E140 I141 E143 R235 Q236 V237	I122-Y124 HydrophobicContact CB-CE2 3.7Å; I122-Y124 VanDerWaalsContact CD1-OH 3.24Å; I122-Y124 WeakPolarHBondContact CD1-OH 3.06Å; I122-Y124 HydrophobicContact CG2-CD1 4.22Å; I122-Y124 HydrophobicContact CG2-CD2 4.11Å; I122-Y124 HydrophobicContact CG2-CE1 3.67Å; I122-Y124 HydrophobicContact CG2-CE2 3.48Å; I122-Y124 VanDerWaalsContact CG2-CE2 3.48Å; I122-Y124 HydrophobicContact CG2-CG 4.45Å; Y124-E140 CarbonylContact O-C 3.39Å; Y124-E140 WeakPolarHBondContact O-CA 3.16Å; Y124-I141 HydrophobicContact CD2-CB 4.46Å; Y124-I141 HydrophobicContact CD2-CG2 4.44Å; Y124-I141 WeakPolarHBondContact CD2-O 3.2Å; Y124-I141 PolarHBondContact N-O 2.71Å; Y124-I141 PolarHBondContact O-N 2.75Å; Y124-E143 HydrophobicContact CD2-CG 4.24Å; Y124-E143 HydrophobicContact CE2-CB 3.92Å; Y124-E143 HydrophobicContact CE2-CG 3.63Å; Y124-E143 WeakPolarHBondContact CE2-OE1 3.23Å; Y124-E143 WeakPolarHBondContact CE2-OE2 3.35Å; Y124-E143 PolarHBondContact OH-OE2 3.02Å; Y124-R235 HydrophobicContact CD1-CB 3.97Å; Y124-R235 HydrophobicContact CG-CB 4.4Å; Y124-Q236 CarbonylContact C-O 3.48Å; Y124-Q236 VanDerWaalsContact CA-O 3.31Å; Y124-Q236 WeakPolarHBondContact CA-O 2.76Å; Y124-V237 HydrophobicContact CD1-CG2 3.77Å; Y124-V237 HydrophobicContact CE1-CG2 3.7Å
125	K	48.7	Very low	51.1	Low	66 Å²	66	61.1 Å²	61.1	29%	0.287	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	122.6	158.3	-94	168.9	174.2	-91.2	0	107	D138 R235 Q236 V238	K125-D138 IonicContact NZ-OD1 3.39Å; K125-D138 PolarHBondContact NZ-OD1 3.03Å; K125-D138 IonicContact NZ-OD2 2.73Å; K125-R235 WeakPolarHBondContact O-CA 3.33Å; K125-Q236 PolarHBondContact N-O 2.85Å; K125-Q236 PolarHBondContact O-N 3.33Å; K125-V238 HydrophobicContact CB-CG2 3.72Å; K125-V238 HydrophobicContact CD-CG2 3.68Å; K125-V238 HydrophobicContact CG-CG2 3.56Å
126	Q	49.9	Very low	51	Low	47 Å²	47	67.2 Å²	67.2	22%	0.22	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	118.3	172.9	179.7	163.1	-26	0	0	108.5	I141 T233	Q126-I141 HydrophobicContact CB-CD1 4.25Å; Q126-T233 HydrophobicContact CG-CG2 3.69Å
127	A	51.8	Low	51	Low	38 Å²	38	69.3 Å²	69.3	31%	0.314	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-69.7	136.6	165.2	0	0	0	0	0	108.6	S129 T234	A127-S129 PolarHBondContact O-N 3.43Å; A127-T234 WeakPolarHBondContact CB-O 3.05Å; A127-T234 PolarHBondContact N-O 3.28Å
128	P	46.8	Very low	50.6	Low	64 Å²	64	74.3 Å²	74.3	42%	0.416	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-53.8	141.5	173	15.3	-25.3	0	0	0	110	S132 Y137	P128-S132 WeakPolarHBondContact CB-OG 3Å; P128-Y137 HydrophobicContact CB-CD2 3.93Å; P128-Y137 HydrophobicContact CB-CG 4.18Å
129	S	53.4	Low	50.7	Low	62 Å²	62	79 Å²	79	43%	0.434	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-58.4	147.1	171.4	71.4	0	0	0	0	109.1	A127 N131 S132	A127-S129 PolarHBondContact O-N 3.43Å; S129-N131 PolarHBondContact O-N 3.35Å; S129-S132 PolarHBondContact N-OG 3.11Å; S129-S132 PolarHBondContact O-N 2.73Å; S129-S132 PolarHBondContact O-OG 2.81Å; S129-S132 PolarHBondContact OG-OG 3.3Å
130	L	52.6	Low	50.5	Low	181 Å²	181	82 Å²	82	95%	0.948	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-13.3	-177.4	-89.4	109.7	0	0	0	115.1
131	N	52.9	Low	50.6	Low	160 Å²	160	82.8 Å²	82.8	86%	0.856	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.8	4.6	-178	-63	-12.9	0	0	0	114.3	S129	S129-N131 PolarHBondContact O-N 3.35Å
132	S	48.2	Very low	50.5	Low	27 Å²	27	85.1 Å²	85.1	19%	0.189	45%	0.446	C	S	.	.			trans	-103.4	116	175.5	55.9	0	0	0	0	110.1	P128 S129 D134	P128-S132 WeakPolarHBondContact CB-OG 3Å; S129-S132 PolarHBondContact N-OG 3.11Å; S129-S132 PolarHBondContact O-N 2.73Å; S129-S132 PolarHBondContact O-OG 2.81Å; S129-S132 PolarHBondContact OG-OG 3.3Å; S132-D134 PolarHBondContact O-N 3.34Å
133	S	48.3	Very low	50.4	Low	116 Å²	116	85.9 Å²	85.9	81%	0.811	45%	0.45	S	S	*	.			trans	-82.1	7.8	173.5	55.2	0	0	0	0	113.5	E135	S133-E135 PolarHBondContact O-N 2.8Å
134	D	48.7	Very low	50.2	Low	91 Å²	91	85.7 Å²	85.7	49%	0.487	45%	0.448	S	S	.	.			trans	-78.4	111.7	-178.3	-66.4	-39.3	0	0	0	110	S132 Y136 Y137	S132-D134 PolarHBondContact O-N 3.34Å; D134-Y136 PolarHBondContact O-N 3.19Å; D134-Y137 HydrophobicContact CB-CD2 4Å; D134-Y137 HydrophobicContact CB-CE2 3.83Å; D134-Y137 WeakPolarHBondContact O-CD2 3.29Å
135	E	46.7	Very low	50	Low	194 Å²	194	85.2 Å²	85.2	91%	0.907	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-1.1	170.1	-71.7	172.3	160.6	0	0	113.1	S133	S133-E135 PolarHBondContact O-N 2.8Å
136	Y	45.2	Very low	50.1	Low	200 Å²	200	83.4 Å²	83.4	78%	0.784	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-6.7	-178.7	-92.8	-86.7	0	0	0	115	D134 D138	D134-Y136 PolarHBondContact O-N 3.19Å; Y136-D138 PolarHBondContact O-N 3.49Å
137	Y	45	Very low	50.1	Low	91 Å²	91	81.3 Å²	81.3	36%	0.357	43%	0.429	S	S	.	.			trans	-79.9	52.5	178.1	-71	-77.4	0	0	0	113.1	P128 D134	P128-Y137 HydrophobicContact CB-CD2 3.93Å; P128-Y137 HydrophobicContact CB-CG 4.18Å; D134-Y137 HydrophobicContact CB-CD2 4Å; D134-Y137 HydrophobicContact CB-CE2 3.83Å; D134-Y137 WeakPolarHBondContact O-CD2 3.29Å
138	D	44.6	Very low	49.9	Very low	107 Å²	107	79.9 Å²	79.9	57%	0.572	42%	0.416	S	S	*	.			trans	-108.9	23.2	167.9	-125.7	-12.6	0	0	0	110.8	K125 Y136 E140	K125-D138 IonicContact NZ-OD1 3.39Å; K125-D138 PolarHBondContact NZ-OD1 3.03Å; K125-D138 IonicContact NZ-OD2 2.73Å; Y136-D138 PolarHBondContact O-N 3.49Å; D138-E140 PolarHBondContact O-N 3.22Å; D138-E140 VanDerWaalsContact O-N 3.16Å
139	D	55	Low	49.7	Very low	102 Å²	102	80.6 Å²	80.6	55%	0.545	41%	0.413	S	S	.	.			trans	-69.3	113.6	179.4	-69.7	-25.5	0	0	0	109.9	I141	D139-I141 PolarHBondContact O-N 3.44Å; D139-I141 VanDerWaalsContact O-N 3.07Å
140	E	51.4	Low	49.3	Very low	117 Å²	117	78 Å²	78	55%	0.547	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	99.4	169.1	-72.2	-172.4	170.9	0	0	109.4	V123 Y124 D138 T142	V123-E140 HydrophobicContact CG1-CB 3.87Å; V123-E140 HydrophobicContact CG1-CG 4.2Å; Y124-E140 CarbonylContact O-C 3.39Å; Y124-E140 WeakPolarHBondContact O-CA 3.16Å; D138-E140 PolarHBondContact O-N 3.22Å; D138-E140 VanDerWaalsContact O-N 3.16Å; E140-T142 PolarHBondContact O-N 2.76Å
141	I	54.7	Low	49	Very low	20 Å²	20	69.9 Å²	69.9	10%	0.103	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	110.9	173.7	-58.1	175.4	0	0	0	107.5	V123 Y124 Q126 D139 E143	V123-I141 CarbonylContact C-O 3.5Å; V123-I141 WeakPolarHBondContact CA-O 3.48Å; Y124-I141 HydrophobicContact CD2-CB 4.46Å; Y124-I141 HydrophobicContact CD2-CG2 4.44Å; Y124-I141 WeakPolarHBondContact CD2-O 3.2Å; Y124-I141 PolarHBondContact N-O 2.71Å; Y124-I141 PolarHBondContact O-N 2.75Å; Q126-I141 HydrophobicContact CB-CD1 4.25Å; D139-I141 PolarHBondContact O-N 3.44Å; D139-I141 VanDerWaalsContact O-N 3.07Å; I141-E143 HydrophobicContact CG2-CG 4.3Å
142	T	52.3	Low	48.5	Very low	67 Å²	67	69.3 Å²	69.3	41%	0.411	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	102.7	175.8	-60.9	0	0	0	0	110.1	T121 I122 V123 E140	T121-T142 HydrophobicContact CG2-CG2 3.51Å; I122-T142 CarbonylContact O-C 3.48Å; I122-T142 WeakPolarHBondContact O-CA 3.35Å; V123-T142 HydrophobicContact CG2-CG2 4.18Å; E140-T142 PolarHBondContact O-N 2.76Å
143	E	53.7	Low	48.3	Very low	17 Å²	17	74.1 Å²	74.1	8%	0.079	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	118.9	170.6	-68	174.9	-167.9	0	0	109.7	S7 T121 I122 Y124 I141 R235	S7-E143 WeakPolarHBondContact O-CA 3.02Å; T121-E143 CarbonylContact C-O 3.52Å; T121-E143 WeakPolarHBondContact CA-O 3.48Å; I122-E143 PolarHBondContact N-O 2.9Å; I122-E143 PolarHBondContact O-N 3.26Å; Y124-E143 HydrophobicContact CD2-CG 4.24Å; Y124-E143 HydrophobicContact CE2-CB 3.92Å; Y124-E143 HydrophobicContact CE2-CG 3.63Å; Y124-E143 WeakPolarHBondContact CE2-OE1 3.23Å; Y124-E143 WeakPolarHBondContact CE2-OE2 3.35Å; Y124-E143 PolarHBondContact OH-OE2 3.02Å; I141-E143 HydrophobicContact CG2-CG 4.3Å; E143-R235 IonicContact OE1-NH1 2.68Å; E143-R235 PolarHBondContact OE1-NH1 2.68Å
144	T	50	Low	48.1	Very low	12 Å²	12	75.1 Å²	75.1	7%	0.074	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	117.7	173.5	-67.2	0	0	0	0	110	S6 S7 K119 K120 T121 W146	S6-T144 WeakPolarHBondContact CA-O 3.44Å; S7-T144 PolarHBondContact N-O 2.78Å; S7-T144 PolarHBondContact O-N 3.4Å; S7-T144 PolarHBondContact OG-O 2.74Å; K119-T144 HydrophobicContact CD-CG2 4.18Å; K119-T144 HydrophobicContact CG-CG2 3.84Å; K120-T144 CarbonylContact O-C 3.49Å; K120-T144 WeakPolarHBondContact O-CA 3.38Å; T121-T144 PolarHBondContact OG1-OG1 2.9Å; T144-W146 HydrophobicContact CG2-CD2 4.25Å; T144-W146 HydrophobicContact CG2-CZ2 3.85Å
145	T	50.5	Low	47.9	Very low	10 Å²	10	72.6 Å²	72.6	6%	0.061	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	116.5	178.8	-63.8	0	0	0	0	111.8	V4 F5 K119 K120 F213	V4-T145 HydrophobicContact CG1-CG2 3.09Å; F5-T145 CarbonylContact O-C 3.55Å; F5-T145 VanDerWaalsContact O-C 3.26Å; F5-T145 WeakPolarHBondContact O-CA 2.96Å; F5-T145 WeakPolarHBondContact O-CG2 3.25Å; K119-T145 CarbonylContact C-O 3.54Å; K120-T145 WeakPolarHBondContact CA-O 3.42Å; K120-T145 PolarHBondContact N-O 3.08Å; K120-T145 WeakPolarHBondContact O-CA 2.9Å; K120-T145 PolarHBondContact O-N 3.04Å; K120-T145 VanDerWaalsContact O-O 3.1Å; T145-F213 HydrophobicContact CG2-CZ 4.39Å
146	W	50.3	Low	48	Very low	28 Å²	28	66.8 Å²	66.8	11%	0.106	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	127.3	-178.2	-54.3	88.8	0	0	0	111.6	V4 F5 M117 L118 K119 T144 M255	V4-W146 CarbonylContact C-O 3.48Å; V4-W146 VanDerWaalsContact C-O 3.28Å; V4-W146 WeakPolarHBondContact CA-O 3.34Å; V4-W146 VanDerWaalsContact CG1-O 3.29Å; V4-W146 WeakPolarHBondContact CG1-O 3.49Å; F5-W146 HydrophobicContact CB-CB 4.15Å; F5-W146 HydrophobicContact CD2-CB 4.42Å; F5-W146 PolarHBondContact N-O 3.19Å; F5-W146 PolarHBondContact O-N 3.44Å; M117-W146 HydrophobicContact CE-CE3 3.6Å; M117-W146 HydrophobicContact CE-CH2 4.48Å; M117-W146 HydrophobicContact CE-CZ3 3.3Å; M117-W146 HydrophobicContact CG-CE3 4.29Å; M117-W146 HydrophobicContact SD-CD2 4.27Å; M117-W146 HydrophobicContact SD-CE3 3.24Å; M117-W146 HydrophobicContact SD-CZ3 3.6Å; L118-W146 CarbonylContact O-C 3.28Å; K119-W146 HydrophobicContact CB-CD2 4.38Å; K119-W146 HydrophobicContact CB-CE3 3.56Å; K119-W146 HydrophobicContact CB-CZ3 3.7Å; K119-W146 HydrophobicContact CD-CE3 3.99Å; K119-W146 HydrophobicContact CD-CH2 3.5Å; K119-W146 HydrophobicContact CD-CZ2 4.07Å; K119-W146 HydrophobicContact CD-CZ3 3.43Å; K119-W146 VanDerWaalsContact CD-CZ3 3.43Å; K119-W146 VanDerWaalsContact CE-CH2 3.47Å; K119-W146 HydrophobicContact CG-CD2 3.98Å; K119-W146 HydrophobicContact CG-CE3 3.52Å; K119-W146 HydrophobicContact CG-CH2 3.97Å; K119-W146 HydrophobicContact CG-CZ2 4.3Å; K119-W146 HydrophobicContact CG-CZ3 3.53Å; T144-W146 HydrophobicContact CG2-CD2 4.25Å; T144-W146 HydrophobicContact CG2-CZ2 3.85Å; W146-M255 HydrophobicContact CH2-CE 4.06Å; W146-M255 HydrophobicContact CH2-SD 3.46Å; W146-M255 WeakPolarHBondContact CH2-SD 3.11Å; W146-M255 HydrophobicContact CZ2-CE 3.76Å; W146-M255 HydrophobicContact CZ2-SD 3.23Å; W146-M255 WeakPolarHBondContact CZ2-SD 3.29Å
147	V	49.5	Very low	48.1	Very low	3 Å²	3	60.2 Å²	60.2	2%	0.018	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	111.1	174.1	179.9	0	0	0	0	109.4	F2 T3 V4 L118 F213	F2-V147 HydrophobicContact CB-CG1 4.12Å; F2-V147 HydrophobicContact CD1-CG1 3.96Å; F2-V147 HydrophobicContact CG-CG1 4.38Å; T3-V147 CarbonylContact O-C 3.52Å; T3-V147 WeakPolarHBondContact O-CA 3.25Å; V4-V147 HydrophobicContact CB-CG2 4.1Å; V4-V147 HydrophobicContact CG1-CG2 3.71Å; V4-V147 HydrophobicContact CG2-CB 3.85Å; V4-V147 HydrophobicContact CG2-CG1 3.8Å; V4-V147 HydrophobicContact CG2-CG2 3.5Å; V4-V147 VanDerWaalsContact CG2-CG2 3.5Å; L118-V147 HydrophobicContact CB-CB 3.68Å; L118-V147 HydrophobicContact CB-CG1 4.34Å; L118-V147 HydrophobicContact CB-CG2 4.2Å; L118-V147 PolarHBondContact N-O 2.86Å; L118-V147 PolarHBondContact O-N 3.21Å; V147-F213 HydrophobicContact CG2-CE1 3.89Å; V147-F213 HydrophobicContact CG2-CE2 4.32Å; V147-F213 HydrophobicContact CG2-CZ 3.47Å; V147-F213 VanDerWaalsContact CG2-CZ 3.47Å
148	I	47.6	Very low	48.6	Very low	8 Å²	8	61.7 Å²	61.7	4%	0.041	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	127.1	-175.7	-62.3	151.3	0	0	0	110.1	F2 T3 F5 M117 L150 F248	F2-I148 VanDerWaalsContact CA-O 3.27Å; F2-I148 WeakPolarHBondContact CA-O 3.3Å; T3-I148 PolarHBondContact N-O 2.66Å; T3-I148 PolarHBondContact O-N 2.76Å; F5-I148 HydrophobicContact CD2-CD1 3.91Å; F5-I148 HydrophobicContact CE2-CD1 3.57Å; M117-I148 HydrophobicContact CG-CG1 3.99Å; M117-I148 HydrophobicContact SD-CG1 4.31Å; I148-L150 HydrophobicContact CG2-CD2 3.61Å; I148-L150 HydrophobicContact CG2-CG 4.23Å; I148-L150 PolarHBondContact O-N 2.85Å; I148-F248 HydrophobicContact CB-CZ 4.28Å; I148-F248 HydrophobicContact CD1-CE1 4.28Å; I148-F248 HydrophobicContact CD1-CE2 3.71Å; I148-F248 HydrophobicContact CD1-CZ 3.31Å; I148-F248 HydrophobicContact CG1-CD2 4.36Å; I148-F248 HydrophobicContact CG1-CE1 4.32Å; I148-F248 HydrophobicContact CG1-CE2 3.55Å; I148-F248 HydrophobicContact CG1-CZ 3.51Å; I148-F248 HydrophobicContact CG2-CD1 4.14Å; I148-F248 HydrophobicContact CG2-CE1 3.67Å; I148-F248 HydrophobicContact CG2-CE2 4.27Å; I148-F248 HydrophobicContact CG2-CZ 3.74Å
149	K	43.7	Very low	49	Very low	79 Å²	79	60.5 Å²	60.5	34%	0.343	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	98.4	168.9	-165.7	169	174.1	179.7	0	109.5	F2 K115 P116	F2-K149 HydrophobicContact CD1-CB 3.77Å; F2-K149 HydrophobicContact CD1-CG 4.05Å; F2-K149 HydrophobicContact CE1-CB 3.35Å; F2-K149 HydrophobicContact CE1-CD 3.68Å; F2-K149 HydrophobicContact CE1-CG 3.38Å; F2-K149 HydrophobicContact CZ-CB 4.19Å; F2-K149 HydrophobicContact CZ-CD 3.68Å; F2-K149 HydrophobicContact CZ-CG 3.69Å; K115-K149 HydrophobicContact CB-CB 3.78Å; K115-K149 HydrophobicContact CB-CD 3.74Å; K115-K149 HydrophobicContact CB-CG 3.7Å; K115-K149 HydrophobicContact CD-CD 4.2Å; K115-K149 HydrophobicContact CD-CG 4.48Å; K115-K149 PolarHBondContact N-O 2.88Å; P116-K149 WeakPolarHBondContact O-CB 3.43Å
150	L	45.6	Very low	49	Very low	8 Å²	8	56.4 Å²	56.4	4%	0.042	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	133.3	170.6	-54.3	168.6	0	0	0	106.6	M1 T3 L114 I148 V155	M1-L150 PolarHBondContact O-N 3.12Å; M1-L150 VanDerWaalsContact O-N 3.15Å; T3-L150 WeakPolarHBondContact OG1-CD1 3.32Å; L114-L150 HydrophobicContact CD2-CD2 3.45Å; L114-L150 VanDerWaalsContact CD2-CD2 3.45Å; I148-L150 HydrophobicContact CG2-CD2 3.61Å; I148-L150 HydrophobicContact CG2-CG 4.23Å; I148-L150 PolarHBondContact O-N 2.85Å; L150-V155 HydrophobicContact CB-CB 4.17Å; L150-V155 HydrophobicContact CB-CG2 3.97Å; L150-V155 HydrophobicContact CD1-CB 3.59Å; L150-V155 HydrophobicContact CD1-CG1 3.9Å; L150-V155 HydrophobicContact CD1-CG2 4.3Å; L150-V155 HydrophobicContact CD2-CB 4.19Å; L150-V155 HydrophobicContact CD2-CG1 4.18Å; L150-V155 HydrophobicContact CD2-CG2 4.14Å; L150-V155 HydrophobicContact CG-CB 4.15Å; L150-V155 HydrophobicContact CG-CG2 4.32Å
151	G	45.4	Very low	49.3	Very low	10 Å²	10	51 Å²	51	10%	0.103	26%	0.264	C	S	.	.			trans	-61.3	-152.5	-174.5	0	0	0	0	0	113.6	Q113 K153	Q113-G151 WeakPolarHBondContact O-CA 3.4Å; Q113-G151 PolarHBondContact O-N 2.76Å; G151-K153 PolarHBondContact O-N 2.99Å
152	D	43.3	Very low	49.5	Very low	149 Å²	149	52.5 Å²	52.5	80%	0.797	27%	0.272	S	S	*	.	S	Bend	trans	-77.2	14.1	-169.7	-50.3	-28.2	0	0	0	113.2	K115	K115-D152 IonicContact NZ-OD1 3.8Å; K115-D152 PolarHBondContact NZ-OD1 2.57Å; K115-D152 IonicContact NZ-OD2 2.66Å
153	K	44	Very low	49.8	Very low	127 Å²	127	52 Å²	52	55%	0.552	26%	0.264	S	S	*	.	S	Bend	trans	-118	140.6	175.6	-66	-176.1	178.4	175.6	0	110	G151 V155	G151-K153 PolarHBondContact O-N 2.99Å; K153-V155 PolarHBondContact O-N 3.31Å
154	N	42.8	Very low	49.9	Very low	138 Å²	138	52 Å²	52	74%	0.738	26%	0.264	S	S	*	.			trans	-66.2	102.9	167.5	-62	-22.6	0	0	0	107.3
155	V	45.2	Very low	50.1	Low	37 Å²	37	51.8 Å²	51.8	22%	0.224	26%	0.263	C	S	.	.			trans	-81.6	129.1	169.1	171.5	0	0	0	0	106.1	L150 K153 D159 M160	L150-V155 HydrophobicContact CB-CB 4.17Å; L150-V155 HydrophobicContact CB-CG2 3.97Å; L150-V155 HydrophobicContact CD1-CB 3.59Å; L150-V155 HydrophobicContact CD1-CG1 3.9Å; L150-V155 HydrophobicContact CD1-CG2 4.3Å; L150-V155 HydrophobicContact CD2-CB 4.19Å; L150-V155 HydrophobicContact CD2-CG1 4.18Å; L150-V155 HydrophobicContact CD2-CG2 4.14Å; L150-V155 HydrophobicContact CG-CB 4.15Å; L150-V155 HydrophobicContact CG-CG2 4.32Å; K153-V155 PolarHBondContact O-N 3.31Å; V155-D159 HydrophobicContact CG1-CB 3.72Å; V155-M160 HydrophobicContact CG1-CB 4.44Å
156	T	47.8	Very low	50.6	Low	73 Å²	73	56.8 Å²	56.8	45%	0.448	29%	0.289	S	S	.	.			trans	-83.7	157.9	176.5	62.7	0	0	0	0	110.4	K158 D159 M160	T156-K158 PolarHBondContact O-N 2.9Å; T156-K158 VanDerWaalsContact O-N 3.08Å; T156-D159 PolarHBondContact N-OD2 3.26Å; T156-D159 PolarHBondContact O-N 2.99Å; T156-D159 VanDerWaalsContact OG1-CG 3.24Å; T156-D159 PolarHBondContact OG1-N 3.22Å; T156-D159 PolarHBondContact OG1-OD2 2.98Å; T156-M160 PolarHBondContact O-N 3.2Å
157	D	47.1	Very low	50.6	Low	61 Å²	61	58.9 Å²	58.9	33%	0.326	30%	0.3	S	S	.	.	H	α-helix	trans	-51.3	-34	170.4	-59.5	-21.4	0	0	0	111.1	M160 L161 N176	D157-M160 PolarHBondContact O-N 2.78Å; D157-L161 WeakPolarHBondContact O-CB 3.15Å; D157-L161 WeakPolarHBondContact O-CD1 3.16Å; D157-L161 WeakPolarHBondContact O-CG 3.31Å; D157-L161 PolarHBondContact O-N 3.1Å; D157-N176 WeakPolarHBondContact CB-ND2 3.47Å; D157-N176 PolarHBondContact OD2-ND2 3.05Å
158	K	55.6	Low	50.7	Low	122 Å²	122	59.8 Å²	59.8	53%	0.53	31%	0.305	S	S	.	.	H	α-helix	trans	-61.9	-50	174.9	175.4	165.1	174.9	37.6	0	112.5	T156 M160 L161 D162	T156-K158 PolarHBondContact O-N 2.9Å; T156-K158 VanDerWaalsContact O-N 3.08Å; K158-M160 PolarHBondContact O-N 3.27Å; K158-L161 PolarHBondContact O-N 3.34Å; K158-D162 VanDerWaalsContact NZ-CG 3.28Å; K158-D162 IonicContact NZ-OD1 2.86Å; K158-D162 PolarHBondContact NZ-OD1 3.34Å; K158-D162 IonicContact NZ-OD2 3.86Å; K158-D162 PolarHBondContact NZ-OD2 3.07Å; K158-D162 VanDerWaalsContact O-CB 3.27Å; K158-D162 WeakPolarHBondContact O-CB 3.27Å; K158-D162 PolarHBondContact O-N 3.45Å
159	D	54.6	Low	51	Low	83 Å²	83	66.8 Å²	66.8	44%	0.444	34%	0.342	S	S	.	.	H	α-helix	trans	-59.6	-35.4	179.8	-64.3	-55.2	0	0	0	111.6	V155 T156 F163	V155-D159 HydrophobicContact CG1-CB 3.72Å; T156-D159 PolarHBondContact N-OD2 3.26Å; T156-D159 PolarHBondContact O-N 2.99Å; T156-D159 VanDerWaalsContact OG1-CG 3.24Å; T156-D159 PolarHBondContact OG1-N 3.22Å; T156-D159 PolarHBondContact OG1-OD2 2.98Å; D159-F163 WeakPolarHBondContact O-CB 3.48Å; D159-F163 PolarHBondContact O-N 3.2Å
160	M	54	Low	51.1	Low	15 Å²	15	64.1 Å²	64.1	7%	0.074	34%	0.337	C	S	.	.	H	α-helix	trans	-75.2	-44.3	-180	-171	178.3	71.2	0	0	112.5	T3 F5 V155 T156 D157 K158 F163 I164 W196	T3-M160 HydrophobicContact CG2-CE 3.91Å; T3-M160 HydrophobicContact CG2-SD 3.79Å; F5-M160 HydrophobicContact CE1-CE 3.7Å; F5-M160 HydrophobicContact CE1-SD 4.23Å; F5-M160 HydrophobicContact CE2-CE 3.82Å; F5-M160 HydrophobicContact CE2-CG 4.2Å; F5-M160 HydrophobicContact CE2-SD 3.29Å; F5-M160 WeakPolarHBondContact CE2-SD 3.42Å; F5-M160 HydrophobicContact CZ-CE 3.14Å; F5-M160 HydrophobicContact CZ-CG 3.68Å; F5-M160 HydrophobicContact CZ-SD 3.11Å; F5-M160 WeakPolarHBondContact CZ-SD 3.49Å; V155-M160 HydrophobicContact CG1-CB 4.44Å; T156-M160 PolarHBondContact O-N 3.2Å; D157-M160 PolarHBondContact O-N 2.78Å; K158-M160 PolarHBondContact O-N 3.27Å; M160-F163 WeakPolarHBondContact O-CB 3.44Å; M160-F163 PolarHBondContact O-N 3.02Å; M160-I164 WeakPolarHBondContact O-CG1 3.29Å; M160-I164 PolarHBondContact O-N 3.38Å; M160-W196 HydrophobicContact CE-CE3 4.03Å; M160-W196 HydrophobicContact CE-CH2 4.3Å; M160-W196 HydrophobicContact CE-CZ3 3.41Å; M160-W196 VanDerWaalsContact CE-CZ3 3.41Å
161	L	58.3	Low	51.3	Low	4 Å²	4	65.6 Å²	65.6	2%	0.021	35%	0.354	C	S	.	.	H	α-helix	trans	-62.8	-43.6	172.8	-73.8	168	0	0	0	111.3	D157 K158 F163 I164 N165 L174 N176 W196	D157-L161 WeakPolarHBondContact O-CB 3.15Å; D157-L161 WeakPolarHBondContact O-CD1 3.16Å; D157-L161 WeakPolarHBondContact O-CG 3.31Å; D157-L161 PolarHBondContact O-N 3.1Å; K158-L161 PolarHBondContact O-N 3.34Å; L161-F163 VanDerWaalsContact C-N 3.26Å; L161-F163 PolarHBondContact O-N 3.09Å; L161-I164 PolarHBondContact O-N 3.02Å; L161-N165 WeakPolarHBondContact O-CB 3.3Å; L161-N165 PolarHBondContact O-N 2.65Å; L161-N165 PolarHBondContact O-ND2 3.39Å; L161-N165 VanDerWaalsContact O-ND2 3.09Å; L161-L174 HydrophobicContact CD2-CB 3.44Å; L161-L174 VanDerWaalsContact CD2-CB 3.44Å; L161-L174 HydrophobicContact CD2-CD1 4.39Å; L161-N176 HydrophobicContact CD1-CB 3.58Å; L161-W196 HydrophobicContact CD2-CH2 3.68Å; L161-W196 HydrophobicContact CD2-CZ2 3.89Å; L161-W196 HydrophobicContact CG-CH2 4.31Å
162	D	58.6	Low	51.5	Low	51 Å²	51	69.1 Å²	69.1	27%	0.273	37%	0.374	S	S	.	.	H	α-helix	trans	-58.6	-40.9	174.2	-71.1	-14.1	0	0	0	110.3	K158 N166	K158-D162 VanDerWaalsContact NZ-CG 3.28Å; K158-D162 IonicContact NZ-OD1 2.86Å; K158-D162 PolarHBondContact NZ-OD1 3.34Å; K158-D162 IonicContact NZ-OD2 3.86Å; K158-D162 PolarHBondContact NZ-OD2 3.07Å; K158-D162 VanDerWaalsContact O-CB 3.27Å; K158-D162 WeakPolarHBondContact O-CB 3.27Å; K158-D162 PolarHBondContact O-N 3.45Å; D162-N166 VanDerWaalsContact O-CB 3.26Å; D162-N166 WeakPolarHBondContact O-CB 3.18Å; D162-N166 PolarHBondContact O-N 2.77Å; D162-N166 PolarHBondContact O-ND2 2.81Å
163	F	58.2	Low	51.7	Low	56 Å²	56	63.5 Å²	63.5	25%	0.246	34%	0.344	C	S	.	.	H	α-helix	trans	-61.1	-51.8	174.7	179.1	-89.3	0	0	0	112.1	D159 M160 L161 N165 N166 Q167 L252	D159-F163 WeakPolarHBondContact O-CB 3.48Å; D159-F163 PolarHBondContact O-N 3.2Å; M160-F163 WeakPolarHBondContact O-CB 3.44Å; M160-F163 PolarHBondContact O-N 3.02Å; L161-F163 VanDerWaalsContact C-N 3.26Å; L161-F163 PolarHBondContact O-N 3.09Å; F163-N165 PolarHBondContact O-N 2.83Å; F163-N166 PolarHBondContact O-N 2.83Å; F163-Q167 HydrophobicContact CD1-CG 4.15Å; F163-Q167 HydrophobicContact CE1-CG 3.56Å; F163-Q167 HydrophobicContact CE2-CG 4.33Å; F163-Q167 HydrophobicContact CZ-CG 3.67Å; F163-Q167 WeakPolarHBondContact O-CG 3.46Å; F163-Q167 PolarHBondContact O-N 3.08Å; F163-L252 HydrophobicContact CD1-CD1 4.21Å; F163-L252 HydrophobicContact CE1-CB 4.17Å; F163-L252 HydrophobicContact CE1-CD1 3.25Å; F163-L252 HydrophobicContact CE1-CD2 4.29Å; F163-L252 HydrophobicContact CE1-CG 4.12Å; F163-L252 HydrophobicContact CZ-CB 4.36Å; F163-L252 HydrophobicContact CZ-CD1 3.56Å
164	I	55.7	Low	51.8	Low	18 Å²	18	59.9 Å²	59.9	9%	0.092	33%	0.33	C	S	.	.	H	α-helix	trans	-62.6	-46.5	-178.8	-61.7	164.8	0	0	0	110.3	F5 M160 L161 N166 Q167 I168 L174 F257	F5-I164 HydrophobicContact CE1-CD1 4.01Å; F5-I164 HydrophobicContact CZ-CD1 3.95Å; M160-I164 WeakPolarHBondContact O-CG1 3.29Å; M160-I164 PolarHBondContact O-N 3.38Å; L161-I164 PolarHBondContact O-N 3.02Å; I164-N166 VanDerWaalsContact C-N 3.29Å; I164-N166 PolarHBondContact O-N 2.62Å; I164-Q167 PolarHBondContact O-N 2.7Å; I164-I168 HydrophobicContact CG2-CG2 4.39Å; I164-I168 WeakPolarHBondContact O-CG1 3.24Å; I164-I168 PolarHBondContact O-N 3.18Å; I164-L174 HydrophobicContact CB-CD1 4Å; I164-L174 HydrophobicContact CD1-CD1 4.27Å; I164-L174 HydrophobicContact CG2-CD1 3.4Å; I164-L174 VanDerWaalsContact CG2-CD1 3.4Å; I164-F257 HydrophobicContact CG2-CE1 4.47Å
165	N	54.8	Low	51.9	Low	7 Å²	7	59.1 Å²	59.1	4%	0.037	32%	0.322	C	S	.	.	H	α-helix	trans	-56.5	-40.4	176.2	-77	-28	0	0	0	112.7	L161 F163 I168 G171 L173 L174	L161-N165 WeakPolarHBondContact O-CB 3.3Å; L161-N165 PolarHBondContact O-N 2.65Å; L161-N165 PolarHBondContact O-ND2 3.39Å; L161-N165 VanDerWaalsContact O-ND2 3.09Å; F163-N165 PolarHBondContact O-N 2.83Å; N165-I168 VanDerWaalsContact O-CG1 3.28Å; N165-I168 WeakPolarHBondContact O-CG1 3.48Å; N165-G171 WeakPolarHBondContact CB-O 3.27Å; N165-G171 VanDerWaalsContact CG-O 3.27Å; N165-G171 PolarHBondContact OD1-O 2.78Å; N165-L173 PolarHBondContact OD1-N 3.41Å; N165-L173 VanDerWaalsContact OD1-N 3.1Å; N165-L174 PolarHBondContact ND2-O 3.32Å; N165-L174 PolarHBondContact OD1-N 2.87Å
166	N	59.6	Low	51.6	Low	115 Å²	115	59.9 Å²	59.9	62%	0.615	33%	0.325	S	S	*	.	H	α-helix	trans	-68.5	-33.4	174.6	-72.6	-26.8	0	0	0	112.6	D162 F163 I164	D162-N166 VanDerWaalsContact O-CB 3.26Å; D162-N166 WeakPolarHBondContact O-CB 3.18Å; D162-N166 PolarHBondContact O-N 2.77Å; D162-N166 PolarHBondContact O-ND2 2.81Å; F163-N166 PolarHBondContact O-N 2.83Å; I164-N166 VanDerWaalsContact C-N 3.29Å; I164-N166 PolarHBondContact O-N 2.62Å
167	Q	51.3	Low	51.1	Low	73 Å²	73	61.9 Å²	61.9	34%	0.341	34%	0.337	S	S	.	.	H	α-helix	trans	-73.5	-37.6	178.2	-67	-50.2	-60.3	0	0	112.7	F163 I164 N169	F163-Q167 HydrophobicContact CD1-CG 4.15Å; F163-Q167 HydrophobicContact CE1-CG 3.56Å; F163-Q167 HydrophobicContact CE2-CG 4.33Å; F163-Q167 HydrophobicContact CZ-CG 3.67Å; F163-Q167 WeakPolarHBondContact O-CG 3.46Å; F163-Q167 PolarHBondContact O-N 3.08Å; I164-Q167 PolarHBondContact O-N 2.7Å; Q167-N169 PolarHBondContact O-N 2.77Å
168	I	52.1	Low	50.6	Low	22 Å²	22	63.5 Å²	63.5	11%	0.113	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-3.6	-177.1	60.7	177.2	0	0	0	113.8	I164 N165 G170 L173 F257	I164-I168 HydrophobicContact CG2-CG2 4.39Å; I164-I168 WeakPolarHBondContact O-CG1 3.24Å; I164-I168 PolarHBondContact O-N 3.18Å; N165-I168 VanDerWaalsContact O-CG1 3.28Å; N165-I168 WeakPolarHBondContact O-CG1 3.48Å; I168-G170 PolarHBondContact O-N 2.7Å; I168-L173 HydrophobicContact CD1-CB 3.51Å; I168-L173 HydrophobicContact CD1-CD2 3.53Å; I168-L173 HydrophobicContact CD1-CG 4.13Å; I168-F257 HydrophobicContact CG2-CB 3.87Å; I168-F257 HydrophobicContact CG2-CG 4.36Å
169	N	52.5	Low	49.5	Very low	155 Å²	155	63.8 Å²	63.8	83%	0.829	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	16.4	-173.3	-73.8	-22.3	0	0	0	114.6	Q167	Q167-N169 PolarHBondContact O-N 2.77Å
170	G	46.6	Very low	48.3	Very low	23 Å²	23	68.8 Å²	68.8	24%	0.237	38%	0.383	C	S	.	.	S	Bend	trans	-99.4	11.8	-172.6	0	0	0	0	0	114.4	I168	I168-G170 PolarHBondContact O-N 2.7Å
171	G	50	Low	47.2	Very low	39 Å²	39	76.9 Å²	76.9	40%	0.402	43%	0.426	S	S	.	.	S	Bend	trans	69.1	-155.3	-172.9	0	0	0	0	0	112.6	N165 L173	N165-G171 WeakPolarHBondContact CB-O 3.27Å; N165-G171 VanDerWaalsContact CG-O 3.27Å; N165-G171 PolarHBondContact OD1-O 2.78Å; G171-L173 PolarHBondContact O-N 2.77Å
172	T	49	Very low	45.7	Very low	83 Å²	83	83 Å²	83	51%	0.509	46%	0.458	S	S	.	.	S	Bend	trans	-74.6	60.7	176.7	49.9	0	0	0	0	111.8	Q175 K274	T172-Q175 PolarHBondContact O-NE2 2.96Å; T172-Q175 PolarHBondContact OG1-NE2 3Å; T172-K274 PolarHBondContact O-NZ 2.75Å
173	L	48.1	Very low	44.1	Very low	31 Å²	31	86.2 Å²	86.2	16%	0.162	48%	0.48	C	S	.	.			trans	-63.9	-47.1	178.5	-174.8	63.8	0	0	0	110.5	N165 I168 G171 L261 I271 K274	N165-L173 PolarHBondContact OD1-N 3.41Å; N165-L173 VanDerWaalsContact OD1-N 3.1Å; I168-L173 HydrophobicContact CD1-CB 3.51Å; I168-L173 HydrophobicContact CD1-CD2 3.53Å; I168-L173 HydrophobicContact CD1-CG 4.13Å; G171-L173 PolarHBondContact O-N 2.77Å; L173-L261 HydrophobicContact CD2-CD1 4.22Å; L173-I271 HydrophobicContact CD1-CG1 4.24Å; L173-I271 HydrophobicContact CD2-CD1 4.21Å; L173-I271 HydrophobicContact CD2-CG1 3.91Å; L173-K274 HydrophobicContact CD1-CD 3.8Å
174	L	45.8	Very low	42.8	Very low	51 Å²	51	90.3 Å²	90.3	27%	0.267	51%	0.51	S	S	.	.	S	Bend	trans	-97.6	112.5	177.4	-53.7	174.8	0	0	0	108.8	L161 I164 N165	L161-L174 HydrophobicContact CD2-CB 3.44Å; L161-L174 VanDerWaalsContact CD2-CB 3.44Å; L161-L174 HydrophobicContact CD2-CD1 4.39Å; I164-L174 HydrophobicContact CB-CD1 4Å; I164-L174 HydrophobicContact CD1-CD1 4.27Å; I164-L174 HydrophobicContact CG2-CD1 3.4Å; I164-L174 VanDerWaalsContact CG2-CD1 3.4Å; N165-L174 PolarHBondContact ND2-O 3.32Å; N165-L174 PolarHBondContact OD1-N 2.87Å
175	Q	45.5	Very low	41.5	Very low	122 Å²	122	94.8 Å²	94.8	57%	0.57	54%	0.543	S	S	*	.			trans	-113.5	143.4	175.5	-63	-173.8	17.4	0	0	109.6	T172 T177	T172-Q175 PolarHBondContact O-NE2 2.96Å; T172-Q175 PolarHBondContact OG1-NE2 3Å; Q175-T177 PolarHBondContact O-N 3.14Å
176	N	37.5	Very low	40.7	Very low	53 Å²	53	102.1 Å²	102.1	28%	0.283	58%	0.582	S	S	.	*			trans	-72	110.8	171.5	-167.2	-26.7	0	0	0	107.7	D157 L161 S178	D157-N176 WeakPolarHBondContact CB-ND2 3.47Å; D157-N176 PolarHBondContact OD2-ND2 3.05Å; L161-N176 HydrophobicContact CD1-CB 3.58Å; N176-S178 PolarHBondContact O-N 2.67Å; N176-S178 WeakPolarHBondContact OD1-CB 3.3Å; N176-S178 PolarHBondContact OD1-N 3.44Å
177	T	39	Very low	39.5	Very low	116 Å²	116	105.7 Å²	105.7	71%	0.712	59%	0.592	S	S	*	*			trans	-81.1	1.1	177	47.1	0	0	0	0	113	Q175 T179	Q175-T177 PolarHBondContact O-N 3.14Å; T177-T179 PolarHBondContact O-N 3.47Å
178	S	36.7	Very low	38.7	Very low	94 Å²	94	107.9 Å²	107.9	66%	0.657	62%	0.616	S	S	*	*			trans	-76.9	12.4	-170.9	-162.4	0	0	0	0	116.2	N176	N176-S178 PolarHBondContact O-N 2.67Å; N176-S178 WeakPolarHBondContact OD1-CB 3.3Å; N176-S178 PolarHBondContact OD1-N 3.44Å
179	T	32.3	Very low	37.8	Very low	128 Å²	128	113.6 Å²	113.6	79%	0.785	65%	0.646	S	S	*	*	S	Bend	trans	-134.4	68.5	175.6	38.9	0	0	0	0	113.7	T177	T177-T179 PolarHBondContact O-N 3.47Å
180	K	29.3	Very low	36.6	Very low	189 Å²	189	110.3 Å²	110.3	82%	0.822	65%	0.649	S	S	*	*			trans	-175.4	61.7	135.4	-118.4	-177.9	175.3	-173.5	0	113	N182	K180-N182 PolarHBondContact O-N 2.94Å
181	L	30.6	Very low	35.7	Very low	185 Å²	185	111.9 Å²	111.9	97%	0.969	67%	0.666	S	S	*	*			trans	-80.9	70.8	155.8	-142.8	109.7	0	0	0	108.2
182	N	27	Very low	34.6	Very low	131 Å²	131	114.4 Å²	114.4	70%	0.701	67%	0.673	S	S	*	*			trans	-146.7	126	162	-120.9	-14.1	0	0	0	109	K180	K180-N182 PolarHBondContact O-N 2.94Å
183	T	25.4	Very low	33.6	Very low	119 Å²	119	115.1 Å²	115.1	73%	0.73	67%	0.671	S	S	*	*	S	Bend	trans	74.7	93.4	169.8	63.2	0	0	0	0	118.3
184	T	30.6	Very low	32.7	Very low	143 Å²	143	117.8 Å²	117.8	88%	0.877	69%	0.688	S	S	*	*			trans	41.8	93.9	130.4	53.2	0	0	0	0	118.1
185	S	28.6	Very low	31.7	Very low	111 Å²	111	119.1 Å²	119.1	78%	0.776	70%	0.702	S	S	*	*			trans	-154	120.1	132.9	63.4	0	0	0	0	108.6
186	D	36.9	Very low	31	Very low	162 Å²	162	116.7 Å²	116.7	87%	0.866	69%	0.687	S	S	*	*	S	Bend	trans	-47.5	143.1	170.4	-73.5	-53.7	0	0	0	111.5
187	K	33.8	Very low	30.5	Very low	190 Å²	190	116.3 Å²	116.3	83%	0.826	68%	0.684	S	S	*	*			trans	91.7	75	-175.2	-54	-177.1	-178.1	178.4	0	114.2
188	S	36.3	Very low	29.7	Very low	119 Å²	119	115.3 Å²	115.3	83%	0.832	68%	0.681	S	S	*	*			trans	-100.8	104.5	150.2	65.8	0	0	0	0	108.2
189	D	31.7	Very low	29.3	Very low	141 Å²	141	113.7 Å²	113.7	75%	0.754	67%	0.667	S	S	*	*			trans	-58.5	134.7	170.1	-43.7	-35.7	0	0	0	108.1	G191	D189-G191 VanDerWaalsContact C-N 3.27Å; D189-G191 PolarHBondContact O-N 2.78Å
190	G	28.7	Very low	29.1	Very low	86 Å²	86	113.7 Å²	113.7	89%	0.887	67%	0.67	S	S	*	*			trans	-53.6	71.4	-166.1	0	0	0	0	0	116.6
191	G	27.1	Very low	29.1	Very low	57 Å²	57	110 Å²	110	59%	0.588	66%	0.655	S	S	*	*			trans	-78.1	123.8	177.8	0	0	0	0	0	111.2	D189 E193	D189-G191 VanDerWaalsContact C-N 3.27Å; D189-G191 PolarHBondContact O-N 2.78Å; G191-E193 PolarHBondContact O-N 3.5Å
192	T	27.4	Very low	29.3	Very low	91 Å²	91	107 Å²	107	56%	0.558	65%	0.645	S	S	*	*			trans	-44.3	112.6	179.1	-11	0	0	0	0	112.2	T194	T192-T194 PolarHBondContact O-N 3.23Å
193	E	27.7	Very low	30.1	Very low	98 Å²	98	105 Å²	105	46%	0.458	63%	0.629	S	S	.	*			trans	-77.6	93.9	179.8	-61.2	178.9	156.3	0	0	109.7	G191 S195 Q225 Y226	G191-E193 PolarHBondContact O-N 3.5Å; E193-S195 PolarHBondContact O-N 3.45Å; E193-Q225 VanDerWaalsContact CB-NE2 3.26Å; E193-Q225 VanDerWaalsContact OE2-CD 3.25Å; E193-Q225 VanDerWaalsContact OE2-CG 3.31Å; E193-Q225 WeakPolarHBondContact OE2-CG 3.17Å; E193-Q225 PolarHBondContact OE2-NE2 3.07Å; E193-Y226 PolarHBondContact OE1-OH 3.44Å; E193-Y226 WeakPolarHBondContact OE2-CE2 3.42Å; E193-Y226 PolarHBondContact OE2-OH 2.95Å
194	T	28.7	Very low	31	Very low	87 Å²	87	105.5 Å²	105.5	53%	0.534	63%	0.628	S	S	.	*			trans	-67.7	107.8	169.8	-53.9	0	0	0	0	108.6	T192 W196	T192-T194 PolarHBondContact O-N 3.23Å; T194-W196 HydrophobicContact CG2-CD2 4.43Å; T194-W196 HydrophobicContact CG2-CZ2 3.8Å; T194-W196 PolarHBondContact O-N 2.68Å; T194-W196 PolarHBondContact O-NE1 3.01Å
195	S	25.7	Very low	31.8	Very low	79 Å²	79	101.7 Å²	101.7	55%	0.552	60%	0.601	S	S	*	*			trans	-78.8	115.7	178.5	-165.6	0	0	0	0	110.5	E193	E193-S195 PolarHBondContact O-N 3.45Å
196	W	29.8	Very low	33.1	Very low	71 Å²	71	100 Å²	100	27%	0.269	58%	0.583	S	S	.	*			trans	-102.8	113.6	178.1	-60.1	92.2	0	0	0	108.8	F5 M160 L161 T194	F5-W196 HydrophobicContact CD1-CZ3 4.11Å; F5-W196 AromaticContact CE1-CH2 3.97Å; F5-W196 HydrophobicContact CE1-CH2 3.97Å; F5-W196 AromaticContact CE1-CZ3 3.54Å; F5-W196 HydrophobicContact CE1-CZ3 3.54Å; F5-W196 HydrophobicContact CZ-CZ3 4.26Å; M160-W196 HydrophobicContact CE-CE3 4.03Å; M160-W196 HydrophobicContact CE-CH2 4.3Å; M160-W196 HydrophobicContact CE-CZ3 3.41Å; M160-W196 VanDerWaalsContact CE-CZ3 3.41Å; L161-W196 HydrophobicContact CD2-CH2 3.68Å; L161-W196 HydrophobicContact CD2-CZ2 3.89Å; L161-W196 HydrophobicContact CG-CH2 4.31Å; T194-W196 HydrophobicContact CG2-CD2 4.43Å; T194-W196 HydrophobicContact CG2-CZ2 3.8Å; T194-W196 PolarHBondContact O-N 2.68Å; T194-W196 PolarHBondContact O-NE1 3.01Å
197	F	26.3	Very low	33.7	Very low	46 Å²	46	100 Å²	100	20%	0.202	58%	0.578	C	S	.	*			trans	-99.9	148.7	172.5	52	-96.2	0	0	0	110.7	V4 V199	V4-F197 HydrophobicContact CB-CD2 4.36Å; V4-F197 HydrophobicContact CB-CE1 4.45Å; V4-F197 HydrophobicContact CB-CE2 3.1Å; V4-F197 HydrophobicContact CB-CZ 3.14Å; V4-F197 HydrophobicContact CG1-CE2 4.14Å; V4-F197 HydrophobicContact CG1-CZ 3.71Å; V4-F197 HydrophobicContact CG2-CE2 3.78Å; V4-F197 HydrophobicContact CG2-CZ 4.26Å; V4-F197 VanDerWaalsContact N-CE2 3.32Å; V4-F197 VanDerWaalsContact O-CE2 3.25Å; V4-F197 WeakPolarHBondContact O-CE2 3.38Å; V4-F197 WeakPolarHBondContact O-CZ 3.42Å; F197-V199 HydrophobicContact CD2-CG2 4.31Å
198	S	23.2	Very low	35.1	Very low	95 Å²	95	98.1 Å²	98.1	66%	0.664	57%	0.57	S	S	*	*			trans	-111.5	129.5	171	57.9	0	0	0	0	108.3	P200	S198-P200 WeakPolarHBondContact O-CD 3.46Å
199	V	28.9	Very low	36.4	Very low	60 Å²	60	95.2 Å²	95.2	36%	0.364	54%	0.541	S	S	.	.	B	Isolated β-bridge	trans	-102.5	107.6	174.1	-176.7	0	0	0	0	108.9	F197 E201	F197-V199 HydrophobicContact CD2-CG2 4.31Å; V199-E201 VanDerWaalsContact C-N 3.3Å; V199-E201 PolarHBondContact O-N 3.32Å
200	P	27	Very low	37.4	Very low	128 Å²	128	90.2 Å²	90.2	83%	0.831	51%	0.513	S	S	*	.			trans	-81.1	6.7	-174.4	29.5	-33.5	0	0	0	115.3	S198	S198-P200 WeakPolarHBondContact O-CD 3.46Å
201	E	29.3	Very low	38.5	Very low	112 Å²	112	88.6 Å²	88.6	52%	0.523	49%	0.489	S	S	.	.	S	Bend	trans	-123.4	128.8	-174.5	-142.1	-175	140.3	0	0	113.7	V199 K203	V199-E201 VanDerWaalsContact C-N 3.3Å; V199-E201 PolarHBondContact O-N 3.32Å; E201-K203 PolarHBondContact O-N 3.03Å; E201-K203 VanDerWaalsContact O-N 3.1Å; E201-K203 IonicContact OE1-NZ 3.15Å; E201-K203 PolarHBondContact OE1-NZ 3.38Å; E201-K203 VanDerWaalsContact OE2-CE 3.3Å; E201-K203 WeakPolarHBondContact OE2-CE 2.99Å; E201-K203 IonicContact OE2-NZ 3.22Å; E201-K203 PolarHBondContact OE2-NZ 3Å
202	T	34.2	Very low	40.1	Very low	122 Å²	122	90.8 Å²	90.8	75%	0.748	48%	0.483	S	S	*	.			trans	-67.4	104.1	166.1	43.4	0	0	0	0	109.6
203	K	44.8	Very low	41.3	Very low	87 Å²	87	88.4 Å²	88.4	38%	0.378	47%	0.466	S	S	.	.			trans	-93.8	143.3	173.8	-63.9	-65.2	-176.3	-167.9	0	111.3	E201 W209	E201-K203 PolarHBondContact O-N 3.03Å; E201-K203 VanDerWaalsContact O-N 3.1Å; E201-K203 IonicContact OE1-NZ 3.15Å; E201-K203 PolarHBondContact OE1-NZ 3.38Å; E201-K203 VanDerWaalsContact OE2-CE 3.3Å; E201-K203 WeakPolarHBondContact OE2-CE 2.99Å; E201-K203 IonicContact OE2-NZ 3.22Å; E201-K203 PolarHBondContact OE2-NZ 3Å; K203-W209 HydrophobicContact CB-CZ2 4.41Å
204	N	44.8	Very low	42.5	Very low	131 Å²	131	84.1 Å²	84.1	70%	0.701	45%	0.446	S	S	*	.			trans	-81	115.8	170.4	-170.3	0.6	0	0	0	108.7	N206	N204-N206 PolarHBondContact O-N 3.03Å
205	M	47.8	Very low	43.9	Very low	62 Å²	62	85 Å²	85	31%	0.305	45%	0.447	S	S	.	.			trans	-75.2	73.7	-178.6	-67.2	173.7	167.5	0	0	110.6	F2 L118 W209	F2-M205 HydrophobicContact CD1-CE 3.95Å; F2-M205 HydrophobicContact CE1-CE 3.26Å; F2-M205 HydrophobicContact CE1-SD 4.47Å; F2-M205 HydrophobicContact CE2-CE 4.41Å; F2-M205 HydrophobicContact CZ-CE 3.55Å; F2-M205 HydrophobicContact CZ-SD 4.5Å; L118-M205 HydrophobicContact CD1-CE 3.78Å; L118-M205 HydrophobicContact CD1-SD 3.73Å; L118-M205 HydrophobicContact CD2-CE 4.17Å; L118-M205 HydrophobicContact CD2-SD 4.43Å; M205-W209 HydrophobicContact CG-CE3 4.28Å; M205-W209 HydrophobicContact CG-CZ3 4.28Å
206	N	55.3	Low	45.3	Very low	76 Å²	76	85.5 Å²	85.5	41%	0.406	44%	0.444	S	S	.	.			trans	-91.9	163.6	168.3	62.9	39.3	0	0	0	110.6	N204 K208 W209 I210	N204-N206 PolarHBondContact O-N 3.03Å; N206-K208 PolarHBondContact O-N 3.49Å; N206-K208 VanDerWaalsContact O-N 3.17Å; N206-K208 WeakPolarHBondContact OD1-CB 3.23Å; N206-K208 PolarHBondContact OD1-N 3.17Å; N206-W209 PolarHBondContact O-N 2.86Å; N206-W209 WeakPolarHBondContact OD1-CB 3.48Å; N206-W209 PolarHBondContact OD1-N 3.1Å; N206-I210 WeakPolarHBondContact O-CG1 3.4Å; N206-I210 PolarHBondContact O-N 3.34Å
207	E	49.1	Very low	46.2	Very low	163 Å²	163	86.1 Å²	86.1	76%	0.762	45%	0.452	S	S	*	.	H	α-helix	trans	-53.1	-38.2	-179.6	-171.1	172.4	-164.5	0	0	112.2	W209 I210 S211	E207-W209 PolarHBondContact O-N 3.27Å; E207-I210 PolarHBondContact O-N 3.26Å; E207-S211 WeakPolarHBondContact O-CB 3.39Å; E207-S211 PolarHBondContact O-N 3.26Å; E207-S211 PolarHBondContact O-OG 3.49Å; E207-S211 VanDerWaalsContact O-OG 3.11Å
208	K	62.9	Low	47	Very low	150 Å²	150	90.2 Å²	90.2	65%	0.652	48%	0.476	S	S	*	.	H	α-helix	trans	-62.8	-43.2	176.2	-176.4	-179.1	179.7	-178.3	0	112.9	N206 Q212	N206-K208 PolarHBondContact O-N 3.49Å; N206-K208 VanDerWaalsContact O-N 3.17Å; N206-K208 WeakPolarHBondContact OD1-CB 3.23Å; N206-K208 PolarHBondContact OD1-N 3.17Å; K208-Q212 WeakPolarHBondContact O-CB 3.23Å; K208-Q212 WeakPolarHBondContact O-CG 3.38Å; K208-Q212 PolarHBondContact O-N 2.8Å
209	W	63.6	Low	48	Very low	58 Å²	58	87.2 Å²	87.2	22%	0.22	46%	0.455	C	S	.	.	H	α-helix	trans	-68.9	-39.3	176.6	-176.5	85.5	0	0	0	111	K203 M205 N206 E207 Q212 F213	K203-W209 HydrophobicContact CB-CZ2 4.41Å; M205-W209 HydrophobicContact CG-CE3 4.28Å; M205-W209 HydrophobicContact CG-CZ3 4.28Å; N206-W209 PolarHBondContact O-N 2.86Å; N206-W209 WeakPolarHBondContact OD1-CB 3.48Å; N206-W209 PolarHBondContact OD1-N 3.1Å; E207-W209 PolarHBondContact O-N 3.27Å; W209-Q212 PolarHBondContact O-N 2.92Å; W209-F213 HydrophobicContact CE3-CB 4.26Å; W209-F213 HydrophobicContact CH2-CB 4.09Å; W209-F213 AromaticContact CH2-CD2 3.92Å; W209-F213 HydrophobicContact CH2-CD2 3.92Å; W209-F213 AromaticContact CH2-CG 3.92Å; W209-F213 HydrophobicContact CH2-CG 3.92Å; W209-F213 HydrophobicContact CZ2-CB 4.37Å; W209-F213 HydrophobicContact CZ2-CD2 4.22Å; W209-F213 HydrophobicContact CZ2-CG 4.45Å; W209-F213 HydrophobicContact CZ3-CB 4.02Å; W209-F213 HydrophobicContact CZ3-CG 4.12Å; W209-F213 VanDerWaalsContact O-CB 3.31Å; W209-F213 WeakPolarHBondContact O-CB 3.37Å; W209-F213 PolarHBondContact O-N 2.67Å
210	I	52.1	Low	48.5	Very low	35 Å²	35	91.3 Å²	91.3	18%	0.179	47%	0.471	C	S	.	.	H	α-helix	trans	-61.9	-49	175.4	-69.5	167.6	0	0	0	110.2	N206 E207 Q212 F213 L214 L242	N206-I210 WeakPolarHBondContact O-CG1 3.4Å; N206-I210 PolarHBondContact O-N 3.34Å; E207-I210 PolarHBondContact O-N 3.26Å; I210-Q212 VanDerWaalsContact C-N 3.34Å; I210-Q212 PolarHBondContact O-N 3.4Å; I210-F213 PolarHBondContact O-N 2.83Å; I210-L214 HydrophobicContact CG2-CD1 3.8Å; I210-L214 HydrophobicContact CG2-CG 4.21Å; I210-L214 WeakPolarHBondContact O-CB 3.35Å; I210-L214 VanDerWaalsContact O-CG 3.23Å; I210-L214 WeakPolarHBondContact O-CG 3.43Å; I210-L214 PolarHBondContact O-N 3.36Å; I210-L242 HydrophobicContact CB-CD2 4.47Å; I210-L242 HydrophobicContact CD1-CD2 4.31Å; I210-L242 HydrophobicContact CG1-CD2 4.22Å; I210-L242 HydrophobicContact CG2-CD2 3.51Å
211	S	52.7	Low	49	Very low	52 Å²	52	89.2 Å²	89.2	36%	0.364	45%	0.452	S	S	.	.	H	α-helix	trans	-58.4	-45	175.1	-62.9	0	0	0	0	111.2	E207 F213 L214 D215	E207-S211 WeakPolarHBondContact O-CB 3.39Å; E207-S211 PolarHBondContact O-N 3.26Å; E207-S211 PolarHBondContact O-OG 3.49Å; E207-S211 VanDerWaalsContact O-OG 3.11Å; S211-F213 PolarHBondContact O-N 3.12Å; S211-L214 CarbonylContact O-C 3.59Å; S211-L214 PolarHBondContact O-N 2.9Å; S211-D215 WeakPolarHBondContact O-CB 3.28Å; S211-D215 PolarHBondContact O-N 3.06Å
212	Q	59.9	Low	49.3	Very low	103 Å²	103	85.5 Å²	85.5	48%	0.481	44%	0.444	S	S	.	.	H	α-helix	trans	-61.2	-45.2	174.7	-76	-180	-32.6	0	0	112.6	K208 W209 I210 L214 D215 D216	K208-Q212 WeakPolarHBondContact O-CB 3.23Å; K208-Q212 WeakPolarHBondContact O-CG 3.38Å; K208-Q212 PolarHBondContact O-N 2.8Å; W209-Q212 PolarHBondContact O-N 2.92Å; I210-Q212 VanDerWaalsContact C-N 3.34Å; I210-Q212 PolarHBondContact O-N 3.4Å; Q212-L214 VanDerWaalsContact C-N 3.25Å; Q212-L214 PolarHBondContact O-N 2.86Å; Q212-D215 PolarHBondContact O-N 2.83Å; Q212-D216 WeakPolarHBondContact O-CB 3.26Å; Q212-D216 PolarHBondContact O-N 3.33Å
213	F	54.2	Low	49.2	Very low	42 Å²	42	87.6 Å²	87.6	18%	0.184	44%	0.442	C	S	.	.	H	α-helix	trans	-63.8	-31.8	176.2	178.8	-102.2	0	0	0	112.5	V4 K120 T145 V147 W209 I210 S211	V4-F213 HydrophobicContact CG1-CZ 4.5Å; K120-F213 HydrophobicContact CB-CE1 4.07Å; K120-F213 HydrophobicContact CD-CD1 4.25Å; K120-F213 HydrophobicContact CD-CE1 3.79Å; K120-F213 HydrophobicContact CD-CZ 4.37Å; K120-F213 HydrophobicContact CG-CE1 4.5Å; K120-F213 PolarHBondContact NZ-O 3.04Å; T145-F213 HydrophobicContact CG2-CZ 4.39Å; V147-F213 HydrophobicContact CG2-CE1 3.89Å; V147-F213 HydrophobicContact CG2-CE2 4.32Å; V147-F213 HydrophobicContact CG2-CZ 3.47Å; V147-F213 VanDerWaalsContact CG2-CZ 3.47Å; W209-F213 HydrophobicContact CE3-CB 4.26Å; W209-F213 HydrophobicContact CH2-CB 4.09Å; W209-F213 AromaticContact CH2-CD2 3.92Å; W209-F213 HydrophobicContact CH2-CD2 3.92Å; W209-F213 AromaticContact CH2-CG 3.92Å; W209-F213 HydrophobicContact CH2-CG 3.92Å; W209-F213 HydrophobicContact CZ2-CB 4.37Å; W209-F213 HydrophobicContact CZ2-CD2 4.22Å; W209-F213 HydrophobicContact CZ2-CG 4.45Å; W209-F213 HydrophobicContact CZ3-CB 4.02Å; W209-F213 HydrophobicContact CZ3-CG 4.12Å; W209-F213 VanDerWaalsContact O-CB 3.31Å; W209-F213 WeakPolarHBondContact O-CB 3.37Å; W209-F213 PolarHBondContact O-N 2.67Å; I210-F213 PolarHBondContact O-N 2.83Å; S211-F213 PolarHBondContact O-N 3.12Å
214	L	53.1	Low	48.8	Very low	7 Å²	7	86.3 Å²	86.3	4%	0.037	44%	0.44	C	S	.	.	H	α-helix	trans	-76.8	-42.9	175.9	-71.2	178.5	0	0	0	112.2	K120 I210 S211 Q212 K240 L242	K120-L214 HydrophobicContact CB-CD2 4.46Å; K120-L214 HydrophobicContact CD-CD2 3.85Å; K120-L214 HydrophobicContact CG-CD2 3.73Å; K120-L214 PolarHBondContact NZ-O 3.22Å; K120-L214 VanDerWaalsContact NZ-O 3.08Å; I210-L214 HydrophobicContact CG2-CD1 3.8Å; I210-L214 HydrophobicContact CG2-CG 4.21Å; I210-L214 WeakPolarHBondContact O-CB 3.35Å; I210-L214 VanDerWaalsContact O-CG 3.23Å; I210-L214 WeakPolarHBondContact O-CG 3.43Å; I210-L214 PolarHBondContact O-N 3.36Å; S211-L214 CarbonylContact O-C 3.59Å; S211-L214 PolarHBondContact O-N 2.9Å; Q212-L214 VanDerWaalsContact C-N 3.25Å; Q212-L214 PolarHBondContact O-N 2.86Å; L214-K240 HydrophobicContact CB-CD 4.48Å; L214-K240 WeakPolarHBondContact O-CD 3.19Å; L214-K240 WeakPolarHBondContact O-CE 3.45Å; L214-K240 PolarHBondContact O-NZ 3.25Å; L214-L242 HydrophobicContact CD1-CB 4.39Å; L214-L242 HydrophobicContact CD2-CB 4.29Å
215	D	56.9	Low	48.4	Very low	106 Å²	106	85.7 Å²	85.7	57%	0.567	43%	0.433	S	S	*	.	H	α-helix	trans	-81.9	-18.3	-177.1	-67.4	-22.4	0	0	0	113.5	S211 Q212 D217	S211-D215 WeakPolarHBondContact O-CB 3.28Å; S211-D215 PolarHBondContact O-N 3.06Å; Q212-D215 PolarHBondContact O-N 2.83Å; D215-D217 PolarHBondContact O-N 2.82Å
216	D	55.8	Low	47.8	Very low	89 Å²	89	90.3 Å²	90.3	48%	0.476	45%	0.448	S	S	.	.			trans	-66.9	83.9	167.3	-78.9	-21.7	0	0	0	107.8	Q212 N218 S219	Q212-D216 WeakPolarHBondContact O-CB 3.26Å; Q212-D216 PolarHBondContact O-N 3.33Å; D216-N218 PolarHBondContact O-N 2.96Å; D216-S219 PolarHBondContact O-N 2.78Å
217	D	48	Very low	46.5	Very low	85 Å²	85	89.9 Å²	89.9	46%	0.455	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-16.6	161.5	-61.9	-19.9	0	0	0	109.6	D215 S219 K240	D215-D217 PolarHBondContact O-N 2.82Å; D217-S219 PolarHBondContact O-N 3.15Å; D217-S219 VanDerWaalsContact O-N 3.12Å; D217-K240 IonicContact OD1-NZ 2.74Å; D217-K240 PolarHBondContact OD1-NZ 2.84Å
218	N	43.6	Very low	45.7	Very low	131 Å²	131	86.4 Å²	86.4	70%	0.701	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	27.8	165.9	-77.3	-28.7	0	0	0	113	D216 E220	D216-N218 PolarHBondContact O-N 2.96Å; N218-E220 PolarHBondContact O-N 2.78Å
219	S	43.8	Very low	44.2	Very low	33 Å²	33	84.4 Å²	84.4	23%	0.231	45%	0.449	C	S	.	.			trans	-46.7	133.8	161.8	66.5	0	0	0	0	106.6	D216 D217 L221 G222	D216-S219 PolarHBondContact O-N 2.78Å; D217-S219 PolarHBondContact O-N 3.15Å; D217-S219 VanDerWaalsContact O-N 3.12Å; S219-L221 PolarHBondContact O-N 3.31Å; S219-G222 PolarHBondContact O-N 2.84Å
220	E	39.5	Very low	43	Very low	146 Å²	146	88.1 Å²	88.1	68%	0.682	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-55.8	-10	-175.1	-69.9	-178.8	151.8	0	0	112.9	N218 G222 K223	N218-E220 PolarHBondContact O-N 2.78Å; E220-G222 VanDerWaalsContact C-N 3.35Å; E220-K223 PolarHBondContact O-N 2.77Å
221	L	38.6	Very low	42.4	Very low	83 Å²	83	90.2 Å²	90.2	44%	0.435	48%	0.484	S	S	.	.	G	3₁₀ helix	trans	-58.9	-32.1	166.8	-74.1	140.5	0	0	0	115.1	S6 S219 K223	S6-L221 VanDerWaalsContact CB-CD1 3.47Å; S219-L221 PolarHBondContact O-N 3.31Å; L221-K223 PolarHBondContact O-N 3.29Å
222	G	34.3	Very low	41.7	Very low	34 Å²	34	95.7 Å²	95.7	35%	0.351	51%	0.509	S	S	.	.	G	3₁₀ helix	trans	-72	-9.9	177.6	0	0	0	0	0	113.7	S219 E220	S219-G222 PolarHBondContact O-N 2.84Å; E220-G222 VanDerWaalsContact C-N 3.35Å
223	K	33.3	Very low	41.1	Very low	167 Å²	167	92.5 Å²	92.5	73%	0.726	50%	0.496	S	S	*	.	S	Bend	trans	-100.8	90.5	168.8	-62.8	-177.5	-175.5	176.1	0	107.5	E220 L221 Q225	E220-K223 PolarHBondContact O-N 2.77Å; L221-K223 PolarHBondContact O-N 3.29Å; K223-Q225 PolarHBondContact O-N 2.87Å; K223-Q225 VanDerWaalsContact O-N 3.1Å
224	N	36.4	Very low	41	Very low	60 Å²	60	95.5 Å²	95.5	32%	0.321	52%	0.518	S	S	.	.			trans	-52	122.1	153.6	42.9	10.6	0	0	0	107.2	Y226 G227 I228	N224-Y226 PolarHBondContact O-N 3.45Å; N224-G227 PolarHBondContact O-N 3.01Å; N224-I228 PolarHBondContact OD1-O 3.08Å
225	Q	35.5	Very low	41.1	Very low	118 Å²	118	98.6 Å²	98.6	55%	0.551	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	2.9	-176.3	54.5	-156.6	-20.5	0	0	114.7	E193 K223	E193-Q225 VanDerWaalsContact CB-NE2 3.26Å; E193-Q225 VanDerWaalsContact OE2-CD 3.25Å; E193-Q225 VanDerWaalsContact OE2-CG 3.31Å; E193-Q225 WeakPolarHBondContact OE2-CG 3.17Å; E193-Q225 PolarHBondContact OE2-NE2 3.07Å; K223-Q225 PolarHBondContact O-N 2.87Å; K223-Q225 VanDerWaalsContact O-N 3.1Å
226	Y	35.6	Very low	41	Very low	158 Å²	158	99.4 Å²	99.4	62%	0.62	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	1	169.7	-66.2	-76.7	0	0	0	114.4	E193 N224 I228	E193-Y226 PolarHBondContact OE1-OH 3.44Å; E193-Y226 WeakPolarHBondContact OE2-CE2 3.42Å; E193-Y226 PolarHBondContact OE2-OH 2.95Å; N224-Y226 PolarHBondContact O-N 3.45Å; Y226-I228 PolarHBondContact O-N 3.18Å
227	G	28	Very low	40.9	Very low	68 Å²	68	97 Å²	97	70%	0.701	52%	0.519	S	S	*	.			trans	64.2	23.3	177.3	0	0	0	0	0	113.1	N224 P229	N224-G227 PolarHBondContact O-N 3.01Å; G227-P229 VanDerWaalsContact O-CD 3.25Å; G227-P229 WeakPolarHBondContact O-CD 3.42Å
228	I	32	Very low	41.2	Very low	89 Å²	89	95.8 Å²	95.8	46%	0.456	51%	0.514	S	S	.	.			trans	-76.8	112.2	174.5	-55.1	174.7	0	0	0	105.6	N224 Y226 Q230	N224-I228 PolarHBondContact OD1-O 3.08Å; Y226-I228 PolarHBondContact O-N 3.18Å; I228-Q230 PolarHBondContact O-N 2.66Å
229	P	32	Very low	41.7	Very low	108 Å²	108	91.4 Å²	91.4	70%	0.701	49%	0.494	S	S	*	.			trans	-56.5	138.8	174.7	23	-30.5	0	0	0	108.7	G227 T231	G227-P229 VanDerWaalsContact O-CD 3.25Å; G227-P229 WeakPolarHBondContact O-CD 3.42Å; P229-T231 PolarHBondContact O-N 3.39Å
230	Q	37.9	Very low	42.1	Very low	137 Å²	137	91.1 Å²	91.1	64%	0.64	49%	0.488	S	S	*	.			trans	-30.9	115.1	175.1	-84.9	178.6	-23.4	0	0	109.2	I228 N232	I228-Q230 PolarHBondContact O-N 2.66Å; Q230-N232 PolarHBondContact O-N 2.73Å
231	T	39.5	Very low	42.5	Very low	78 Å²	78	86 Å²	86	48%	0.479	47%	0.469	S	S	.	.			trans	-51.8	137.2	165.8	46.1	0	0	0	0	106	P229 T233	P229-T231 PolarHBondContact O-N 3.39Å; T231-T233 PolarHBondContact O-N 3.22Å; T231-T233 PolarHBondContact OG1-OG1 3.31Å; T231-T233 VanDerWaalsContact OG1-OG1 3.08Å
232	N	38.2	Very low	43.1	Very low	167 Å²	167	82.7 Å²	82.7	89%	0.893	45%	0.452	S	S	*	.	S	Bend	trans	-67.2	38.8	-176.7	-69.6	-40.3	0	0	0	112.4	Q230 T234	Q230-N232 PolarHBondContact O-N 2.73Å; N232-T234 PolarHBondContact O-N 2.88Å
233	T	47.1	Very low	43.9	Very low	36 Å²	36	86.4 Å²	86.4	22%	0.221	46%	0.455	C	S	.	.			trans	-79	104.2	172.4	-22.3	0	0	0	0	106.6	Q126 T231 R235	Q126-T233 HydrophobicContact CG-CG2 3.69Å; T231-T233 PolarHBondContact O-N 3.22Å; T231-T233 PolarHBondContact OG1-OG1 3.31Å; T231-T233 VanDerWaalsContact OG1-OG1 3.08Å; T233-R235 PolarHBondContact O-N 3.15Å
234	T	51.6	Low	44.8	Very low	105 Å²	105	82.5 Å²	82.5	64%	0.644	44%	0.441	S	S	*	.			trans	-68	86.4	170.2	36.8	0	0	0	0	108.6	A127 N232 Q236	A127-T234 WeakPolarHBondContact CB-O 3.05Å; A127-T234 PolarHBondContact N-O 3.28Å; N232-T234 PolarHBondContact O-N 2.88Å; T234-Q236 PolarHBondContact O-N 3.42Å
235	R	54.8	Low	45.7	Very low	72 Å²	72	80.1 Å²	80.1	27%	0.272	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	117.1	165.6	-67.2	-176.5	-178.8	-167.4	-2	107.5	D10 Y124 K125 E143 T233	D10-R235 VanDerWaalsContact CG-NH2 3.32Å; D10-R235 IonicContact OD1-CZ 2.71Å; D10-R235 IonicContact OD1-NH1 3.58Å; D10-R235 PolarHBondContact OD1-NH1 3.28Å; D10-R235 VanDerWaalsContact OD1-NH1 3.15Å; D10-R235 IonicContact OD1-NH2 3.02Å; D10-R235 PolarHBondContact OD1-NH2 3.46Å; D10-R235 IonicContact OD2-NH1 3.37Å; D10-R235 IonicContact OD2-NH2 2.77Å; D10-R235 PolarHBondContact OD2-NH2 2.81Å; Y124-R235 HydrophobicContact CD1-CB 3.97Å; Y124-R235 HydrophobicContact CG-CB 4.4Å; K125-R235 WeakPolarHBondContact O-CA 3.33Å; E143-R235 IonicContact OE1-NH1 2.68Å; E143-R235 PolarHBondContact OE1-NH1 2.68Å; T233-R235 PolarHBondContact O-N 3.15Å
236	Q	55.9	Low	46.6	Very low	123 Å²	123	80.1 Å²	80.1	58%	0.575	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.4	121.5	170.3	-173.6	178.4	17.9	0	0	108.5	Y124 K125 T234 V238	Y124-Q236 CarbonylContact C-O 3.48Å; Y124-Q236 VanDerWaalsContact CA-O 3.31Å; Y124-Q236 WeakPolarHBondContact CA-O 2.76Å; K125-Q236 PolarHBondContact N-O 2.85Å; K125-Q236 PolarHBondContact O-N 3.33Å; T234-Q236 PolarHBondContact O-N 3.42Å; Q236-V238 PolarHBondContact O-N 2.78Å
237	V	54.3	Low	47.9	Very low	39 Å²	39	76.3 Å²	76.3	24%	0.236	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	118.3	170.6	-179.4	0	0	0	0	109	I122 Y124 K240	I122-V237 HydrophobicContact CG2-CG1 3.9Å; I122-V237 HydrophobicContact CG2-CG2 4.4Å; Y124-V237 HydrophobicContact CD1-CG2 3.77Å; Y124-V237 HydrophobicContact CE1-CG2 3.7Å; V237-K240 HydrophobicContact CG1-CD 4.29Å; V237-K240 HydrophobicContact CG1-CG 3.7Å
238	V	52.7	Low	49.3	Very low	59 Å²	59	73.7 Å²	73.7	36%	0.358	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-42.8	178	-179	0	0	0	0	110.4	V123 K125 Q236	V123-V238 HydrophobicContact CB-CB 4.39Å; V123-V238 HydrophobicContact CG1-CB 4.29Å; V123-V238 PolarHBondContact O-N 3.2Å; K125-V238 HydrophobicContact CB-CG2 3.72Å; K125-V238 HydrophobicContact CD-CG2 3.68Å; K125-V238 HydrophobicContact CG-CG2 3.56Å; Q236-V238 PolarHBondContact O-N 2.78Å
239	S	55.4	Low	50.4	Low	40 Å²	40	71.9 Å²	71.9	28%	0.28	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	149.1	178.1	70.5	0	0	0	0	112.6	I122 V123	I122-S239 WeakPolarHBondContact CA-O 3.49Å; V123-S239 WeakPolarHBondContact CG2-OG 3.41Å; V123-S239 PolarHBondContact N-O 3.46Å; V123-S239 PolarHBondContact O-N 2.84Å
240	K	51.7	Low	51.9	Low	26 Å²	26	71.9 Å²	71.9	11%	0.113	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	123	169.3	-62.3	-174.5	179.2	-171.7	0	108.4	I122 L214 D217 V237	I122-K240 HydrophobicContact CG2-CG 4.26Å; L214-K240 HydrophobicContact CB-CD 4.48Å; L214-K240 WeakPolarHBondContact O-CD 3.19Å; L214-K240 WeakPolarHBondContact O-CE 3.45Å; L214-K240 PolarHBondContact O-NZ 3.25Å; D217-K240 IonicContact OD1-NZ 2.74Å; D217-K240 PolarHBondContact OD1-NZ 2.84Å; V237-K240 HydrophobicContact CG1-CD 4.29Å; V237-K240 HydrophobicContact CG1-CG 3.7Å
241	S	47.8	Very low	52.8	Low	39 Å²	39	68.3 Å²	68.3	27%	0.273	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	135.3	177.4	-61	0	0	0	0	110.2	K120 T121	K120-S241 CarbonylContact C-O 3.53Å; K120-S241 VanDerWaalsContact CA-O 3.27Å; K120-S241 WeakPolarHBondContact CA-O 3.48Å; T121-S241 PolarHBondContact N-O 2.79Å; T121-S241 PolarHBondContact O-N 3.07Å
242	L	51.2	Low	53.7	Low	14 Å²	14	65.1 Å²	65.1	7%	0.073	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	123.1	169.6	-174.7	71.9	0	0	0	110.3	L118 K119 K120 I210 L214	L118-L242 HydrophobicContact CB-CD1 4.19Å; L118-L242 HydrophobicContact CD2-CD1 3.78Å; L118-L242 HydrophobicContact CD2-CD2 3.82Å; L118-L242 HydrophobicContact CD2-CG 4.27Å; L118-L242 HydrophobicContact CG-CD1 3.99Å; L118-L242 HydrophobicContact CG-CD2 4.36Å; L118-L242 HydrophobicContact CG-CG 4.42Å; K119-L242 CarbonylContact O-C 3.26Å; K119-L242 VanDerWaalsContact O-CA 3.29Å; K119-L242 WeakPolarHBondContact O-CA 3.43Å; K120-L242 HydrophobicContact CB-CD1 4.25Å; I210-L242 HydrophobicContact CB-CD2 4.47Å; I210-L242 HydrophobicContact CD1-CD2 4.31Å; I210-L242 HydrophobicContact CG1-CD2 4.22Å; I210-L242 HydrophobicContact CG2-CD2 3.51Å; L214-L242 HydrophobicContact CD1-CB 4.39Å; L214-L242 HydrophobicContact CD2-CB 4.29Å
243	W	51.8	Low	54.7	Low	112 Å²	112	63 Å²	63	42%	0.424	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	140	173.1	-53.5	79.8	0	0	0	109.8	L118 K119	L118-W243 CarbonylContact C-O 3.58Å; L118-W243 WeakPolarHBondContact CA-O 3.48Å; K119-W243 HydrophobicContact CB-CB 4.08Å; K119-W243 HydrophobicContact CD-CG 4.45Å; K119-W243 PolarHBondContact N-O 3.49Å; K119-W243 PolarHBondContact O-N 3.21Å
244	I	52.2	Low	55.5	Low	85 Å²	85	67.6 Å²	67.6	44%	0.436	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	108.7	169.4	-52	-178.1	0	0	0	106.1	P116 M117 L118	P116-I244 HydrophobicContact CB-CG2 4.09Å; M117-I244 CarbonylContact O-C 3.52Å; M117-I244 VanDerWaalsContact O-CA 3.3Å; M117-I244 WeakPolarHBondContact O-CA 3.23Å; L118-I244 HydrophobicContact CD1-CD1 4.25Å; L118-I244 HydrophobicContact CD1-CG1 3.96Å; L118-I244 HydrophobicContact CD1-CG2 4.15Å; L118-I244 HydrophobicContact CG-CG1 4Å
245	S	55.3	Low	55.9	Low	9 Å²	9	64.4 Å²	64.4	6%	0.063	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	127.2	173.7	-170	0	0	0	0	110.2	P116 M117 D247 Q251	P116-S245 CarbonylContact C-O 3.56Å; P116-S245 WeakPolarHBondContact CA-O 3.27Å; P116-S245 WeakPolarHBondContact CB-O 3.17Å; M117-S245 PolarHBondContact N-O 2.71Å; M117-S245 PolarHBondContact O-N 3.34Å; S245-D247 VanDerWaalsContact C-N 3.26Å; S245-D247 VanDerWaalsContact OG-C 3.23Å; S245-D247 PolarHBondContact OG-N 3.24Å; S245-D247 VanDerWaalsContact OG-N 3.14Å; S245-D247 PolarHBondContact OG-O 3.27Å; S245-Q251 WeakPolarHBondContact OG-CG 3.46Å; S245-Q251 PolarHBondContact OG-NE2 3.43Å
246	D	53.8	Low	56.2	Low	118 Å²	118	66 Å²	66	63%	0.631	33%	0.328	S	S	*	.	S	Bend	trans	-74.9	-18.5	167.9	-67.7	-28	0	0	0	112.5
247	D	63.6	Low	56.2	Low	79 Å²	79	61.9 Å²	61.9	42%	0.422	31%	0.309	S	S	.	.			trans	-128.6	89.6	-178.1	-170.5	-14.3	0	0	0	110.2	S245 E249 K250 Q251	S245-D247 VanDerWaalsContact C-N 3.26Å; S245-D247 VanDerWaalsContact OG-C 3.23Å; S245-D247 PolarHBondContact OG-N 3.24Å; S245-D247 VanDerWaalsContact OG-N 3.14Å; S245-D247 PolarHBondContact OG-O 3.27Å; D247-E249 PolarHBondContact OD1-N 3.28Å; D247-K250 HydrophobicContact CB-CB 4.13Å; D247-K250 WeakPolarHBondContact OD1-CB 3.35Å; D247-K250 PolarHBondContact OD1-N 3.27Å; D247-K250 VanDerWaalsContact OD2-CB 3.3Å; D247-K250 WeakPolarHBondContact OD2-CB 3.44Å; D247-Q251 PolarHBondContact O-N 2.92Å
248	F	55.8	Low	56.1	Low	13 Å²	13	63.1 Å²	63.1	6%	0.057	31%	0.314	C	S	.	.	H	α-helix	trans	-68.1	-40.7	-179.2	175.6	-124.7	0	0	0	112.3	L114 M117 I148 K250 Q251 L252	L114-F248 HydrophobicContact CB-CB 4.5Å; L114-F248 HydrophobicContact CB-CD1 3.61Å; L114-F248 HydrophobicContact CB-CE1 4.35Å; L114-F248 HydrophobicContact CD1-CD1 3.62Å; L114-F248 HydrophobicContact CD1-CE1 3.78Å; L114-F248 HydrophobicContact CD2-CD1 4.33Å; L114-F248 HydrophobicContact CD2-CE1 4.24Å; L114-F248 HydrophobicContact CG-CD1 4.02Å; L114-F248 HydrophobicContact CG-CE1 4.32Å; M117-F248 HydrophobicContact CB-CB 4.14Å; M117-F248 HydrophobicContact CB-CD2 3.48Å; M117-F248 VanDerWaalsContact CB-CD2 3.48Å; M117-F248 HydrophobicContact CB-CE2 4.19Å; M117-F248 HydrophobicContact CB-CG 4.09Å; M117-F248 HydrophobicContact CE-CD2 3.99Å; M117-F248 HydrophobicContact CE-CE2 4.43Å; M117-F248 HydrophobicContact CG-CD2 3.77Å; M117-F248 HydrophobicContact CG-CE2 4.02Å; M117-F248 HydrophobicContact SD-CD2 3.23Å; M117-F248 WeakPolarHBondContact SD-CD2 3.36Å; M117-F248 HydrophobicContact SD-CE2 3.23Å; M117-F248 WeakPolarHBondContact SD-CE2 3.43Å; I148-F248 HydrophobicContact CB-CZ 4.28Å; I148-F248 HydrophobicContact CD1-CE1 4.28Å; I148-F248 HydrophobicContact CD1-CE2 3.71Å; I148-F248 HydrophobicContact CD1-CZ 3.31Å; I148-F248 HydrophobicContact CG1-CD2 4.36Å; I148-F248 HydrophobicContact CG1-CE1 4.32Å; I148-F248 HydrophobicContact CG1-CE2 3.55Å; I148-F248 HydrophobicContact CG1-CZ 3.51Å; I148-F248 HydrophobicContact CG2-CD1 4.14Å; I148-F248 HydrophobicContact CG2-CE1 3.67Å; I148-F248 HydrophobicContact CG2-CE2 4.27Å; I148-F248 HydrophobicContact CG2-CZ 3.74Å; F248-K250 VanDerWaalsContact C-N 3.34Å; F248-K250 PolarHBondContact O-N 2.97Å; F248-Q251 PolarHBondContact O-N 3.43Å; F248-L252 HydrophobicContact CD1-CD1 3.53Å; F248-L252 HydrophobicContact CD1-CG 4.43Å; F248-L252 HydrophobicContact CD2-CD1 3.85Å; F248-L252 HydrophobicContact CD2-CD2 4.47Å; F248-L252 HydrophobicContact CD2-CG 3.87Å; F248-L252 HydrophobicContact CE1-CD1 3.14Å; F248-L252 HydrophobicContact CE1-CG 4.12Å; F248-L252 HydrophobicContact CE2-CD1 3.45Å; F248-L252 VanDerWaalsContact CE2-CD1 3.45Å; F248-L252 HydrophobicContact CE2-CD2 3.62Å; F248-L252 HydrophobicContact CE2-CG 3.45Å; F248-L252 VanDerWaalsContact CE2-CG 3.45Å; F248-L252 HydrophobicContact CG-CD1 3.92Å; F248-L252 HydrophobicContact CG-CG 4.37Å; F248-L252 HydrophobicContact CZ-CD1 3.1Å; F248-L252 HydrophobicContact CZ-CD2 3.71Å; F248-L252 HydrophobicContact CZ-CG 3.62Å; F248-L252 WeakPolarHBondContact O-CG 3.48Å; F248-L252 PolarHBondContact O-N 3.27Å
249	E	55.8	Low	56.1	Low	51 Å²	51	61.1 Å²	61.1	24%	0.238	31%	0.305	C	S	.	.	H	α-helix	trans	-63.3	-42.7	-177.7	-174.4	-178.1	170.4	0	0	111	S111 D247 L252 K253	S111-E249 WeakPolarHBondContact CB-OE2 3.31Å; S111-E249 PolarHBondContact OG-OE2 3.45Å; D247-E249 PolarHBondContact OD1-N 3.28Å; E249-L252 PolarHBondContact O-N 3.48Å; E249-K253 HydrophobicContact CG-CD 4.42Å; E249-K253 WeakPolarHBondContact O-CG 3.11Å; E249-K253 PolarHBondContact O-N 3.38Å; E249-K253 VanDerWaalsContact O-N 3.07Å; E249-K253 WeakPolarHBondContact OE1-CE 3.45Å; E249-K253 IonicContact OE1-NZ 2.75Å; E249-K253 PolarHBondContact OE1-NZ 2.89Å
250	K	63.2	Low	55.9	Low	108 Å²	108	63.2 Å²	63.2	47%	0.47	31%	0.311	S	S	.	.	H	α-helix	trans	-61.3	-47.1	174.3	-178.4	-178.7	171.2	-173	0	111.9	D247 F248 L252 K253 E254	D247-K250 HydrophobicContact CB-CB 4.13Å; D247-K250 WeakPolarHBondContact OD1-CB 3.35Å; D247-K250 PolarHBondContact OD1-N 3.27Å; D247-K250 VanDerWaalsContact OD2-CB 3.3Å; D247-K250 WeakPolarHBondContact OD2-CB 3.44Å; F248-K250 VanDerWaalsContact C-N 3.34Å; F248-K250 PolarHBondContact O-N 2.97Å; K250-L252 VanDerWaalsContact C-N 3.34Å; K250-L252 PolarHBondContact O-N 2.87Å; K250-K253 PolarHBondContact O-N 3.44Å; K250-E254 VanDerWaalsContact CE-CD 3.42Å; K250-E254 WeakPolarHBondContact CE-OE1 3.38Å; K250-E254 HydrophobicContact CG-CG 4.33Å; K250-E254 IonicContact NZ-OE1 3.51Å; K250-E254 WeakPolarHBondContact O-CB 3.43Å; K250-E254 WeakPolarHBondContact O-CG 3.5Å; K250-E254 PolarHBondContact O-N 3.49Å
251	Q	58	Low	55.9	Low	61 Å²	61	63.2 Å²	63.2	29%	0.285	31%	0.312	S	S	.	.	H	α-helix	trans	-64.3	-38.1	-179.3	-75.4	-162.4	7.6	0	0	112.8	M117 S245 D247 F248 K253 E254 M255	M117-Q251 HydrophobicContact CE-CB 3.94Å; M117-Q251 HydrophobicContact CE-CG 4.43Å; S245-Q251 WeakPolarHBondContact OG-CG 3.46Å; S245-Q251 PolarHBondContact OG-NE2 3.43Å; D247-Q251 PolarHBondContact O-N 2.92Å; F248-Q251 PolarHBondContact O-N 3.43Å; Q251-K253 VanDerWaalsContact C-N 3.35Å; Q251-E254 PolarHBondContact O-N 3.35Å; Q251-M255 WeakPolarHBondContact O-CB 3.04Å; Q251-M255 PolarHBondContact O-N 3.4Å
252	L	57.7	Low	56	Low	11 Å²	11	67.3 Å²	67.3	6%	0.058	32%	0.322	C	S	.	.	H	α-helix	trans	-63.2	-40.4	173.3	-72.9	165.5	0	0	0	112.4	F163 F248 E249 K250 M255 F257	F163-L252 HydrophobicContact CD1-CD1 4.21Å; F163-L252 HydrophobicContact CE1-CB 4.17Å; F163-L252 HydrophobicContact CE1-CD1 3.25Å; F163-L252 HydrophobicContact CE1-CD2 4.29Å; F163-L252 HydrophobicContact CE1-CG 4.12Å; F163-L252 HydrophobicContact CZ-CB 4.36Å; F163-L252 HydrophobicContact CZ-CD1 3.56Å; F248-L252 HydrophobicContact CD1-CD1 3.53Å; F248-L252 HydrophobicContact CD1-CG 4.43Å; F248-L252 HydrophobicContact CD2-CD1 3.85Å; F248-L252 HydrophobicContact CD2-CD2 4.47Å; F248-L252 HydrophobicContact CD2-CG 3.87Å; F248-L252 HydrophobicContact CE1-CD1 3.14Å; F248-L252 HydrophobicContact CE1-CG 4.12Å; F248-L252 HydrophobicContact CE2-CD1 3.45Å; F248-L252 VanDerWaalsContact CE2-CD1 3.45Å; F248-L252 HydrophobicContact CE2-CD2 3.62Å; F248-L252 HydrophobicContact CE2-CG 3.45Å; F248-L252 VanDerWaalsContact CE2-CG 3.45Å; F248-L252 HydrophobicContact CG-CD1 3.92Å; F248-L252 HydrophobicContact CG-CG 4.37Å; F248-L252 HydrophobicContact CZ-CD1 3.1Å; F248-L252 HydrophobicContact CZ-CD2 3.71Å; F248-L252 HydrophobicContact CZ-CG 3.62Å; F248-L252 WeakPolarHBondContact O-CG 3.48Å; F248-L252 PolarHBondContact O-N 3.27Å; E249-L252 PolarHBondContact O-N 3.48Å; K250-L252 VanDerWaalsContact C-N 3.34Å; K250-L252 PolarHBondContact O-N 2.87Å; L252-M255 HydrophobicContact CD2-CE 4.2Å; L252-M255 WeakPolarHBondContact O-CB 3.14Å; L252-M255 PolarHBondContact O-N 3.39Å; L252-F257 HydrophobicContact CD2-CE2 4.17Å; L252-F257 HydrophobicContact CD2-CZ 3.69Å; L252-F257 WeakPolarHBondContact O-CE2 3.31Å
253	K	60	Low	56	Low	122 Å²	122	72.5 Å²	72.5	53%	0.53	35%	0.35	S	S	.	.	H	α-helix	trans	-70.4	-36.3	177.6	-74.1	177.6	-174.7	169.7	0	112.9	E249 K250 Q251 M255	E249-K253 HydrophobicContact CG-CD 4.42Å; E249-K253 WeakPolarHBondContact O-CG 3.11Å; E249-K253 PolarHBondContact O-N 3.38Å; E249-K253 VanDerWaalsContact O-N 3.07Å; E249-K253 WeakPolarHBondContact OE1-CE 3.45Å; E249-K253 IonicContact OE1-NZ 2.75Å; E249-K253 PolarHBondContact OE1-NZ 2.89Å; K250-K253 PolarHBondContact O-N 3.44Å; Q251-K253 VanDerWaalsContact C-N 3.35Å; K253-M255 PolarHBondContact O-N 3.42Å
254	E	62.5	Low	55.7	Low	134 Å²	134	67.9 Å²	67.9	63%	0.626	33%	0.334	S	S	*	.	H	α-helix	trans	-74.8	-13.6	175	-72.4	-179.4	166.8	0	0	112.3	K250 Q251 D256	K250-E254 VanDerWaalsContact CE-CD 3.42Å; K250-E254 WeakPolarHBondContact CE-OE1 3.38Å; K250-E254 HydrophobicContact CG-CG 4.33Å; K250-E254 IonicContact NZ-OE1 3.51Å; K250-E254 WeakPolarHBondContact O-CB 3.43Å; K250-E254 WeakPolarHBondContact O-CG 3.5Å; K250-E254 PolarHBondContact O-N 3.49Å; Q251-E254 PolarHBondContact O-N 3.35Å; E254-D256 PolarHBondContact O-N 2.85Å
255	M	61	Low	55.6	Low	37 Å²	37	67.3 Å²	67.3	18%	0.182	34%	0.335	C	S	.	.			trans	-77.1	121.9	-179.9	-169.7	139.9	72.8	0	0	111	W146 Q251 L252 K253 F257 M260	W146-M255 HydrophobicContact CH2-CE 4.06Å; W146-M255 HydrophobicContact CH2-SD 3.46Å; W146-M255 WeakPolarHBondContact CH2-SD 3.11Å; W146-M255 HydrophobicContact CZ2-CE 3.76Å; W146-M255 HydrophobicContact CZ2-SD 3.23Å; W146-M255 WeakPolarHBondContact CZ2-SD 3.29Å; Q251-M255 WeakPolarHBondContact O-CB 3.04Å; Q251-M255 PolarHBondContact O-N 3.4Å; L252-M255 HydrophobicContact CD2-CE 4.2Å; L252-M255 WeakPolarHBondContact O-CB 3.14Å; L252-M255 PolarHBondContact O-N 3.39Å; K253-M255 PolarHBondContact O-N 3.42Å; M255-F257 HydrophobicContact CB-CD2 4.05Å; M255-F257 HydrophobicContact CB-CE2 3.92Å; M255-F257 HydrophobicContact CB-CZ 4.48Å; M255-F257 HydrophobicContact CE-CD1 4.09Å; M255-F257 HydrophobicContact CE-CD2 4.45Å; M255-F257 HydrophobicContact CE-CE1 3.31Å; M255-F257 HydrophobicContact CE-CE2 3.73Å; M255-F257 HydrophobicContact CE-CZ 3.1Å; M255-F257 HydrophobicContact CG-CD2 4.14Å; M255-F257 HydrophobicContact CG-CE2 4.17Å; M255-F257 HydrophobicContact CG-CG 4.33Å; M255-F257 HydrophobicContact CG-CZ 4.4Å; M255-F257 PolarHBondContact O-N 3.22Å; M255-M260 HydrophobicContact CG-SD 4.15Å; M255-M260 HydrophobicContact SD-SD 4.14Å
256	D	61	Low	55.3	Low	105 Å²	105	71.6 Å²	71.6	56%	0.561	35%	0.354	S	S	*	.			trans	-78.5	72.1	170.1	-173.4	14.3	0	0	0	110.6	E254 L258 G259 M260	E254-D256 PolarHBondContact O-N 2.85Å; D256-L258 PolarHBondContact O-N 3.47Å; D256-L258 PolarHBondContact OD1-N 3.33Å; D256-G259 VanDerWaalsContact CG-N 3.28Å; D256-G259 PolarHBondContact O-N 2.78Å; D256-G259 PolarHBondContact OD1-N 3.38Å; D256-G259 WeakPolarHBondContact OD2-CA 3.4Å; D256-G259 PolarHBondContact OD2-N 3.49Å; D256-M260 WeakPolarHBondContact O-CG 3.39Å; D256-M260 PolarHBondContact O-N 3.4Å
257	F	56.5	Low	54.9	Low	37 Å²	37	69 Å²	69	16%	0.162	34%	0.34	C	S	.	.	H	α-helix	trans	-54	-38.2	172.7	-74.4	-81.8	0	0	0	111.4	I164 I168 L252 M255 M260 L261	I164-F257 HydrophobicContact CG2-CE1 4.47Å; I168-F257 HydrophobicContact CG2-CB 3.87Å; I168-F257 HydrophobicContact CG2-CG 4.36Å; L252-F257 HydrophobicContact CD2-CE2 4.17Å; L252-F257 HydrophobicContact CD2-CZ 3.69Å; L252-F257 WeakPolarHBondContact O-CE2 3.31Å; M255-F257 HydrophobicContact CB-CD2 4.05Å; M255-F257 HydrophobicContact CB-CE2 3.92Å; M255-F257 HydrophobicContact CB-CZ 4.48Å; M255-F257 HydrophobicContact CE-CD1 4.09Å; M255-F257 HydrophobicContact CE-CD2 4.45Å; M255-F257 HydrophobicContact CE-CE1 3.31Å; M255-F257 HydrophobicContact CE-CE2 3.73Å; M255-F257 HydrophobicContact CE-CZ 3.1Å; M255-F257 HydrophobicContact CG-CD2 4.14Å; M255-F257 HydrophobicContact CG-CE2 4.17Å; M255-F257 HydrophobicContact CG-CG 4.33Å; M255-F257 HydrophobicContact CG-CZ 4.4Å; M255-F257 PolarHBondContact O-N 3.22Å; F257-M260 PolarHBondContact O-N 3.1Å; F257-L261 WeakPolarHBondContact O-CB 3.33Å; F257-L261 WeakPolarHBondContact O-CD1 3.37Å; F257-L261 WeakPolarHBondContact O-CG 3.43Å; F257-L261 PolarHBondContact O-N 3.27Å
258	L	50.5	Low	54.1	Low	66 Å²	66	67.3 Å²	67.3	35%	0.346	33%	0.331	S	S	.	.	H	α-helix	trans	-66	-45	-177.3	-154.3	80.4	0	0	0	110.8	D256 L261 R262	D256-L258 PolarHBondContact O-N 3.47Å; D256-L258 PolarHBondContact OD1-N 3.33Å; L258-L261 PolarHBondContact O-N 3.45Å; L258-R262 WeakPolarHBondContact O-CB 3.45Å; L258-R262 VanDerWaalsContact O-CG 3.25Å; L258-R262 WeakPolarHBondContact O-CG 3.34Å; L258-R262 PolarHBondContact O-N 2.79Å
259	G	52.6	Low	54	Low	17 Å²	17	71.2 Å²	71.2	18%	0.175	35%	0.352	C	S	.	.	H	α-helix	trans	-61.8	-44	173.4	0	0	0	0	0	112.5	D256 L261 R262 N263	D256-G259 VanDerWaalsContact CG-N 3.28Å; D256-G259 PolarHBondContact O-N 2.78Å; D256-G259 PolarHBondContact OD1-N 3.38Å; D256-G259 WeakPolarHBondContact OD2-CA 3.4Å; D256-G259 PolarHBondContact OD2-N 3.49Å; G259-L261 VanDerWaalsContact C-N 3.35Å; G259-L261 PolarHBondContact O-N 3.46Å; G259-R262 PolarHBondContact O-N 3.31Å; G259-N263 PolarHBondContact O-N 2.9Å; G259-N263 VanDerWaalsContact O-N 3.08Å; G259-N263 PolarHBondContact O-ND2 3.01Å
260	M	52.4	Low	53.8	Low	83 Å²	83	72.3 Å²	72.3	41%	0.409	36%	0.359	S	S	.	.	H	α-helix	trans	-59.7	-44.7	175.6	-71.8	-175.1	69.9	0	0	112.2	M255 D256 F257 N263 S264	M255-M260 HydrophobicContact CG-SD 4.15Å; M255-M260 HydrophobicContact SD-SD 4.14Å; D256-M260 WeakPolarHBondContact O-CG 3.39Å; D256-M260 PolarHBondContact O-N 3.4Å; F257-M260 PolarHBondContact O-N 3.1Å; M260-N263 PolarHBondContact O-N 2.79Å; M260-S264 PolarHBondContact O-N 2.78Å
261	L	51.1	Low	53.3	Low	26 Å²	26	67.6 Å²	67.6	14%	0.136	34%	0.339	C	S	.	.	H	α-helix	trans	-72.2	-34.9	-179.4	-64.4	165.8	0	0	0	112.5	L173 F257 L258 G259 N263 S264 L267 N268 I271	L173-L261 HydrophobicContact CD2-CD1 4.22Å; F257-L261 WeakPolarHBondContact O-CB 3.33Å; F257-L261 WeakPolarHBondContact O-CD1 3.37Å; F257-L261 WeakPolarHBondContact O-CG 3.43Å; F257-L261 PolarHBondContact O-N 3.27Å; L258-L261 PolarHBondContact O-N 3.45Å; G259-L261 VanDerWaalsContact C-N 3.35Å; G259-L261 PolarHBondContact O-N 3.46Å; L261-N263 VanDerWaalsContact C-N 3.31Å; L261-N263 PolarHBondContact O-N 2.93Å; L261-S264 PolarHBondContact O-N 3.32Å; L261-L267 HydrophobicContact CB-CB 4.49Å; L261-L267 HydrophobicContact CD2-CB 4.25Å; L261-L267 HydrophobicContact CD2-CD1 3.45Å; L261-L267 VanDerWaalsContact CD2-CD1 3.45Å; L261-L267 HydrophobicContact CD2-CG 4.33Å; L261-N268 PolarHBondContact O-N 2.88Å; L261-I271 HydrophobicContact CB-CD1 3.3Å; L261-I271 HydrophobicContact CD1-CD1 3.9Å; L261-I271 HydrophobicContact CG-CD1 4.11Å
262	R	49.7	Very low	53.2	Low	126 Å²	126	67.5 Å²	67.5	48%	0.475	34%	0.34	S	S	.	.	H	α-helix	trans	-67.4	-30.5	175.6	-79.7	177.6	173.6	-171.6	-1.4	113.1	L258 G259 S264 N268	L258-R262 WeakPolarHBondContact O-CB 3.45Å; L258-R262 VanDerWaalsContact O-CG 3.25Å; L258-R262 WeakPolarHBondContact O-CG 3.34Å; L258-R262 PolarHBondContact O-N 2.79Å; G259-R262 PolarHBondContact O-N 3.31Å; R262-S264 VanDerWaalsContact C-N 3.27Å; R262-N268 WeakPolarHBondContact O-CB 3.48Å; R262-N268 VanDerWaalsContact O-CG 3.32Å; R262-N268 PolarHBondContact O-ND2 3.49Å
263	N	51	Low	53.3	Low	123 Å²	123	74.3 Å²	74.3	66%	0.658	37%	0.37	S	S	*	.	H	α-helix	trans	-76.8	-16.4	176.4	-67.7	-13.9	0	0	0	112.7	G259 M260 L261	G259-N263 PolarHBondContact O-N 2.9Å; G259-N263 VanDerWaalsContact O-N 3.08Å; G259-N263 PolarHBondContact O-ND2 3.01Å; M260-N263 PolarHBondContact O-N 2.79Å; L261-N263 VanDerWaalsContact C-N 3.31Å; L261-N263 PolarHBondContact O-N 2.93Å
264	S	46.1	Very low	53	Low	14 Å²	14	71.7 Å²	71.7	10%	0.098	36%	0.358	C	S	.	.	S	Bend	trans	-82.7	117	169.6	164.8	0	0	0	0	108.5	M260 L261 R262 E266 L267 N268	M260-S264 PolarHBondContact O-N 2.78Å; L261-S264 PolarHBondContact O-N 3.32Å; R262-S264 VanDerWaalsContact C-N 3.27Å; S264-E266 VanDerWaalsContact C-N 3.3Å; S264-E266 PolarHBondContact O-N 3.19Å; S264-L267 PolarHBondContact O-N 2.9Å; S264-L267 WeakPolarHBondContact OG-CG 3.49Å; S264-L267 PolarHBondContact OG-N 2.82Å; S264-N268 WeakPolarHBondContact O-CA 3.25Å; S264-N268 WeakPolarHBondContact O-CB 3.33Å; S264-N268 PolarHBondContact O-N 3.44Å
265	T	50	Low	52.7	Low	74 Å²	74	69.2 Å²	69.2	45%	0.454	35%	0.349	S	S	.	.	H	α-helix	trans	-54.4	-47.1	177	41	0	0	0	0	111.8	L267 N268 D269	T265-L267 PolarHBondContact O-N 2.91Å; T265-N268 PolarHBondContact O-N 3.13Å; T265-D269 PolarHBondContact O-N 3.33Å; T265-D269 VanDerWaalsContact O-N 3.1Å
266	E	49.4	Very low	52.4	Low	98 Å²	98	72.3 Å²	72.3	46%	0.458	37%	0.366	S	S	.	.	H	α-helix	trans	-61.3	-45.4	179.9	-62.3	171.3	-176.7	0	0	112.7	S264 I270	S264-E266 VanDerWaalsContact C-N 3.3Å; S264-E266 PolarHBondContact O-N 3.19Å; E266-I270 WeakPolarHBondContact O-CD1 3.29Å; E266-I270 WeakPolarHBondContact O-CG1 3.27Å; E266-I270 PolarHBondContact O-N 3.5Å
267	L	45.8	Very low	51.8	Low	63 Å²	63	72.4 Å²	72.4	33%	0.33	36%	0.364	S	S	.	.	H	α-helix	trans	-80.5	-32.2	-178.1	-63.5	170.9	0	0	0	111.7	L261 S264 T265 D269 I270 I271	L261-L267 HydrophobicContact CB-CB 4.49Å; L261-L267 HydrophobicContact CD2-CB 4.25Å; L261-L267 HydrophobicContact CD2-CD1 3.45Å; L261-L267 VanDerWaalsContact CD2-CD1 3.45Å; L261-L267 HydrophobicContact CD2-CG 4.33Å; S264-L267 PolarHBondContact O-N 2.9Å; S264-L267 WeakPolarHBondContact OG-CG 3.49Å; S264-L267 PolarHBondContact OG-N 2.82Å; T265-L267 PolarHBondContact O-N 2.91Å; L267-D269 VanDerWaalsContact C-N 3.34Å; L267-I270 PolarHBondContact O-N 3.31Å; L267-I271 VanDerWaalsContact O-CB 3.29Å; L267-I271 WeakPolarHBondContact O-CB 3.03Å; L267-I271 WeakPolarHBondContact O-CD1 3.26Å; L267-I271 WeakPolarHBondContact O-CG1 3.29Å; L267-I271 PolarHBondContact O-N 3.34Å
268	N	46.4	Very low	51.4	Low	44 Å²	44	76.4 Å²	76.4	24%	0.235	38%	0.382	C	S	.	.	H	α-helix	trans	-62.4	-42.7	175.8	-168.1	30.9	0	0	0	110.7	L261 R262 S264 T265 I270 I271 N272	L261-N268 PolarHBondContact O-N 2.88Å; R262-N268 WeakPolarHBondContact O-CB 3.48Å; R262-N268 VanDerWaalsContact O-CG 3.32Å; R262-N268 PolarHBondContact O-ND2 3.49Å; S264-N268 WeakPolarHBondContact O-CA 3.25Å; S264-N268 WeakPolarHBondContact O-CB 3.33Å; S264-N268 PolarHBondContact O-N 3.44Å; T265-N268 PolarHBondContact O-N 3.13Å; N268-I270 PolarHBondContact O-N 3.01Å; N268-I271 PolarHBondContact O-N 3.38Å; N268-N272 VanDerWaalsContact O-CB 3.29Å; N268-N272 WeakPolarHBondContact O-CB 3.18Å; N268-N272 PolarHBondContact O-N 2.9Å; N268-N272 PolarHBondContact O-ND2 3.44Å; N268-N272 PolarHBondContact OD1-ND2 2.69Å
269	D	53.3	Low	51.3	Low	96 Å²	96	76.9 Å²	76.9	51%	0.513	39%	0.39	S	S	.	.	H	α-helix	trans	-62.1	-41.9	175.1	-79.9	-4.6	0	0	0	112.3	T265 L267 K273	T265-D269 PolarHBondContact O-N 3.33Å; T265-D269 VanDerWaalsContact O-N 3.1Å; L267-D269 VanDerWaalsContact C-N 3.34Å; D269-K273 VanDerWaalsContact O-CB 3.27Å; D269-K273 WeakPolarHBondContact O-CB 3.29Å; D269-K273 VanDerWaalsContact O-CG 3.25Å; D269-K273 WeakPolarHBondContact O-CG 3.42Å; D269-K273 PolarHBondContact O-N 2.87Å
270	I	52.3	Low	51	Low	74 Å²	74	79.6 Å²	79.6	38%	0.379	41%	0.407	S	S	.	.	H	α-helix	trans	-67.2	-42.1	176.9	-65.9	168.1	0	0	0	110.9	E266 L267 N268 K274	E266-I270 WeakPolarHBondContact O-CD1 3.29Å; E266-I270 WeakPolarHBondContact O-CG1 3.27Å; E266-I270 PolarHBondContact O-N 3.5Å; L267-I270 PolarHBondContact O-N 3.31Å; N268-I270 PolarHBondContact O-N 3.01Å; I270-K274 WeakPolarHBondContact O-CB 3.25Å; I270-K274 PolarHBondContact O-N 3.16Å
271	I	51.5	Low	50.3	Low	9 Å²	9	82.6 Å²	82.6	5%	0.046	42%	0.418	C	S	.	.	H	α-helix	trans	-65.1	-47.6	178.8	-75.8	167.8	0	0	0	110.4	L173 L261 L267 N268 K274 L275	L173-I271 HydrophobicContact CD1-CG1 4.24Å; L173-I271 HydrophobicContact CD2-CD1 4.21Å; L173-I271 HydrophobicContact CD2-CG1 3.91Å; L261-I271 HydrophobicContact CB-CD1 3.3Å; L261-I271 HydrophobicContact CD1-CD1 3.9Å; L261-I271 HydrophobicContact CG-CD1 4.11Å; L267-I271 VanDerWaalsContact O-CB 3.29Å; L267-I271 WeakPolarHBondContact O-CB 3.03Å; L267-I271 WeakPolarHBondContact O-CD1 3.26Å; L267-I271 WeakPolarHBondContact O-CG1 3.29Å; L267-I271 PolarHBondContact O-N 3.34Å; N268-I271 PolarHBondContact O-N 3.38Å; I271-K274 PolarHBondContact O-N 3.28Å; I271-L275 HydrophobicContact CG2-CD1 3.51Å; I271-L275 HydrophobicContact CG2-CG 4.17Å; I271-L275 VanDerWaalsContact O-CB 3.26Å; I271-L275 WeakPolarHBondContact O-CB 3.48Å; I271-L275 VanDerWaalsContact O-CG 3.29Å; I271-L275 WeakPolarHBondContact O-CG 3.37Å; I271-L275 PolarHBondContact O-N 3.35Å
272	N	57.3	Low	49.9	Very low	58 Å²	58	86.1 Å²	86.1	31%	0.31	45%	0.445	S	S	.	.	H	α-helix	trans	-63.3	-47.2	178.2	-67.2	-30.8	0	0	0	110.1	N268 K274 L275 D276	N268-N272 VanDerWaalsContact O-CB 3.29Å; N268-N272 WeakPolarHBondContact O-CB 3.18Å; N268-N272 PolarHBondContact O-N 2.9Å; N268-N272 PolarHBondContact O-ND2 3.44Å; N268-N272 PolarHBondContact OD1-ND2 2.69Å; N272-K274 VanDerWaalsContact C-N 3.35Å; N272-K274 PolarHBondContact O-N 2.89Å; N272-L275 PolarHBondContact O-N 3.16Å; N272-D276 VanDerWaalsContact O-CB 3.23Å; N272-D276 WeakPolarHBondContact O-CB 3.38Å; N272-D276 PolarHBondContact O-N 2.76Å
273	K	58.3	Low	49.6	Very low	155 Å²	155	87.1 Å²	87.1	67%	0.674	46%	0.459	S	S	*	.	H	α-helix	trans	-56.9	-44.1	174.7	-78.9	175	-179.3	170.4	0	112.7	D269 M277	D269-K273 VanDerWaalsContact O-CB 3.27Å; D269-K273 WeakPolarHBondContact O-CB 3.29Å; D269-K273 VanDerWaalsContact O-CG 3.25Å; D269-K273 WeakPolarHBondContact O-CG 3.42Å; D269-K273 PolarHBondContact O-N 2.87Å; K273-M277 VanDerWaalsContact O-CB 3.26Å; K273-M277 WeakPolarHBondContact O-CB 3.26Å; K273-M277 PolarHBondContact O-N 3.36Å
274	K	54.4	Low	48.8	Very low	67 Å²	67	87.1 Å²	87.1	29%	0.291	46%	0.459	S	S	.	.	H	α-helix	trans	-73.1	-41.7	179.2	-85.4	-170.2	175.4	-178	0	112.7	T172 L173 I270 I271 N272 D276 M277 F278	T172-K274 PolarHBondContact O-NZ 2.75Å; L173-K274 HydrophobicContact CD1-CD 3.8Å; I270-K274 WeakPolarHBondContact O-CB 3.25Å; I270-K274 PolarHBondContact O-N 3.16Å; I271-K274 PolarHBondContact O-N 3.28Å; N272-K274 VanDerWaalsContact C-N 3.35Å; N272-K274 PolarHBondContact O-N 2.89Å; K274-D276 VanDerWaalsContact C-N 3.32Å; K274-M277 WeakPolarHBondContact O-CB 3.23Å; K274-M277 PolarHBondContact O-N 3.44Å; K274-F278 WeakPolarHBondContact O-CD2 3.35Å; K274-F278 PolarHBondContact O-N 2.77Å
275	L	55.4	Low	48.3	Very low	81 Å²	81	95 Å²	95	42%	0.424	50%	0.5	S	S	.	.	H	α-helix	trans	-61.9	-42.9	175.5	-76.2	172	0	0	0	110.8	I271 N272 M277 F278 S279	I271-L275 HydrophobicContact CG2-CD1 3.51Å; I271-L275 HydrophobicContact CG2-CG 4.17Å; I271-L275 VanDerWaalsContact O-CB 3.26Å; I271-L275 WeakPolarHBondContact O-CB 3.48Å; I271-L275 VanDerWaalsContact O-CG 3.29Å; I271-L275 WeakPolarHBondContact O-CG 3.37Å; I271-L275 PolarHBondContact O-N 3.35Å; N272-L275 PolarHBondContact O-N 3.16Å; L275-M277 VanDerWaalsContact C-N 3.34Å; L275-F278 PolarHBondContact O-N 3.43Å; L275-S279 PolarHBondContact O-N 2.95Å
276	D	55.4	Low	47.6	Very low	103 Å²	103	97.3 Å²	97.3	55%	0.551	51%	0.509	S	S	*	.	H	α-helix	trans	-63.2	-41.5	173.1	-72.1	-18.4	0	0	0	110.8	N272 K274 F278 S279 S280	N272-D276 VanDerWaalsContact O-CB 3.23Å; N272-D276 WeakPolarHBondContact O-CB 3.38Å; N272-D276 PolarHBondContact O-N 2.76Å; K274-D276 VanDerWaalsContact C-N 3.32Å; D276-F278 PolarHBondContact O-N 3.08Å; D276-S279 WeakPolarHBondContact CA-OG 3.42Å; D276-S279 WeakPolarHBondContact O-CB 3.37Å; D276-S279 PolarHBondContact O-N 3.5Å; D276-S279 VanDerWaalsContact O-N 3.13Å; D276-S279 PolarHBondContact O-OG 3.42Å; D276-S280 PolarHBondContact O-N 3.02Å; D276-S280 PolarHBondContact O-OG 3.23Å
277	M	49.3	Very low	46.9	Very low	106 Å²	106	97 Å²	97	52%	0.522	52%	0.518	S	S	.	.	H	α-helix	trans	-59.1	-46.1	175.2	-160.2	-175.5	-159.3	0	0	111.4	K273 K274 L275 S279 S280 F281	K273-M277 VanDerWaalsContact O-CB 3.26Å; K273-M277 WeakPolarHBondContact O-CB 3.26Å; K273-M277 PolarHBondContact O-N 3.36Å; K274-M277 WeakPolarHBondContact O-CB 3.23Å; K274-M277 PolarHBondContact O-N 3.44Å; L275-M277 VanDerWaalsContact C-N 3.34Å; M277-S279 VanDerWaalsContact C-N 3.32Å; M277-S279 PolarHBondContact O-N 3Å; M277-S280 WeakPolarHBondContact CA-OG 3.45Å; M277-S280 PolarHBondContact O-N 2.67Å; M277-S280 VanDerWaalsContact O-N 3.16Å; M277-S280 PolarHBondContact O-OG 2.89Å; M277-F281 HydrophobicContact CE-CE2 3.93Å; M277-F281 HydrophobicContact CE-CZ 4.23Å; M277-F281 HydrophobicContact CG-CD2 4.06Å; M277-F281 HydrophobicContact CG-CE2 3.63Å; M277-F281 WeakPolarHBondContact O-CD2 3.5Å; M277-F281 PolarHBondContact O-N 3.27Å; M277-F281 HydrophobicContact SD-CE2 4.05Å
278	F	46.4	Very low	46.4	Very low	122 Å²	122	100.1 Å²	100.1	54%	0.535	54%	0.54	S	S	.	.	H	α-helix	trans	-65.4	-33.7	175	-73.6	-65.9	0	0	0	112.8	K274 L275 D276 S280 F281	K274-F278 WeakPolarHBondContact O-CD2 3.35Å; K274-F278 PolarHBondContact O-N 2.77Å; L275-F278 PolarHBondContact O-N 3.43Å; D276-F278 PolarHBondContact O-N 3.08Å; F278-S280 VanDerWaalsContact C-N 3.32Å; F278-F281 PolarHBondContact O-N 2.99Å
279	S	48.8	Very low	46	Very low	75 Å²	75	104.4 Å²	104.4	52%	0.524	57%	0.568	S	S	.	*	H	α-helix	trans	-66	-35.8	172.9	81.4	0	0	0	0	112.1	L275 D276 M277 S282	L275-S279 PolarHBondContact O-N 2.95Å; D276-S279 WeakPolarHBondContact CA-OG 3.42Å; D276-S279 WeakPolarHBondContact O-CB 3.37Å; D276-S279 PolarHBondContact O-N 3.5Å; D276-S279 VanDerWaalsContact O-N 3.13Å; D276-S279 PolarHBondContact O-OG 3.42Å; M277-S279 VanDerWaalsContact C-N 3.32Å; M277-S279 PolarHBondContact O-N 3Å; S279-S282 PolarHBondContact O-N 3.41Å
280	S	45.7	Very low	45.3	Very low	75 Å²	75	105.7 Å²	105.7	52%	0.524	58%	0.579	S	S	.	*	H	α-helix	trans	-75.6	-27.7	179.1	72.7	0	0	0	0	113.7	D276 M277 F278 S282	D276-S280 PolarHBondContact O-N 3.02Å; D276-S280 PolarHBondContact O-OG 3.23Å; M277-S280 WeakPolarHBondContact CA-OG 3.45Å; M277-S280 PolarHBondContact O-N 2.67Å; M277-S280 VanDerWaalsContact O-N 3.16Å; M277-S280 PolarHBondContact O-OG 2.89Å; F278-S280 VanDerWaalsContact C-N 3.32Å; S280-S282 PolarHBondContact O-N 2.71Å
281	F	39.6	Very low	44.9	Very low	146 Å²	146	113.9 Å²	113.9	64%	0.64	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	-15.3	173.7	-84.7	-67.2	0	0	0	113.3	M277 F278 L283	M277-F281 HydrophobicContact CE-CE2 3.93Å; M277-F281 HydrophobicContact CE-CZ 4.23Å; M277-F281 HydrophobicContact CG-CD2 4.06Å; M277-F281 HydrophobicContact CG-CE2 3.63Å; M277-F281 WeakPolarHBondContact O-CD2 3.5Å; M277-F281 PolarHBondContact O-N 3.27Å; M277-F281 HydrophobicContact SD-CE2 4.05Å; F278-F281 PolarHBondContact O-N 2.99Å; F281-L283 VanDerWaalsContact C-N 3.35Å
282	S	41.2	Very low	44.6	Very low	100 Å²	100	119.2 Å²	119.2	70%	0.699	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	2.2	-178.5	-151.5	0	0	0	0	114.6	S279 S280	S279-S282 PolarHBondContact O-N 3.41Å; S280-S282 PolarHBondContact O-N 2.71Å
283	L	44	Very low	43.9	Very low	146 Å²	146	122.4 Å²	122.4	76%	0.764	67%	0.671	S	S	*	*	S	Bend	trans	-139.5	67.1	-179	-84.6	157.5	0	0	0	111.8	F281	F281-L283 VanDerWaalsContact C-N 3.35Å
284	N	33.2	Very low	43.1	Very low	124 Å²	124	120.6 Å²	120.6	66%	0.663	67%	0.671	S	S	*	*			trans	-170.6	82	147.2	-101.1	-20	0	0	0	110.1	N286	N284-N286 PolarHBondContact OD1-ND2 3.48Å
285	D	36.9	Very low	42.4	Very low	179 Å²	179	123.7 Å²	123.7	96%	0.957	69%	0.693	S	S	*	*			trans	-120.3	89.2	136.1	-94.9	-24.8	0	0	0	107.1
286	N	35.6	Very low	41.6	Very low	122 Å²	122	126.4 Å²	126.4	65%	0.652	71%	0.71	S	S	*	*			trans	-62.6	133.8	168.5	-92	-37.1	0	0	0	110.7	N284	N284-N286 PolarHBondContact OD1-ND2 3.48Å
287	S	34.5	Very low	40.7	Very low	93 Å²	93	127.9 Å²	127.9	65%	0.65	72%	0.721	S	S	*	*			trans	43	132	131	72.4	0	0	0	0	121.5
288	T	34.2	Very low	40.1	Very low	127 Å²	127	129.5 Å²	129.5	78%	0.779	74%	0.735	S	S	*	*			trans	78.7	106.6	140.3	27.8	0	0	0	0	120.8
289	T	38	Very low	39.6	Very low	134 Å²	134	130.1 Å²	130.1	82%	0.822	75%	0.75	S	S	*	*			trans	-139.4	93.2	136	9.5	0	0	0	0	107.3
290	T	39	Very low	38.8	Very low	123 Å²	123	134.7 Å²	134.7	76%	0.755	77%	0.769	S	S	*	*				75	113.3	110.6	49.2	0	0	0	0	115.6
291	N	44	Very low	38.2	Very low	247 Å²	247	140.1 Å²	140.1	100%	1.321	79%	0.791	S	S	*	*			trans	14	0	155.3	-68.8	-10.7	0	0	0	119.2

Retrieved 291 of 291 residues in 179.4 ms (Link to these results)

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