A0A3Q0KKW0_SCHMA Loading...

Carboxylesterase

AlphaFold DB , UniProt , Accession A0A3Q0KKW0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 770 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.4	Very low	30.8	Very low	230 Å²	230	157 Å²	157	100%	1.133	82%	0.819	S	S	*	*				0	103.2	0	-157.9	166.3	174.5	0	0	106.4
2	F	32.8	Very low	30.6	Very low	174 Å²	174	162.4 Å²	162.4	76%	0.763	83%	0.832	S	S	*	*			trans	47.7	104.5	168.8	-59.8	-83.1	0	0	0	119.1
3	L	27.9	Very low	30.4	Very low	155 Å²	155	158.3 Å²	158.3	81%	0.812	83%	0.825	S	S	*	*				67.6	120.4	96	-76.3	165.9	0	0	0	112
4	V	32.5	Very low	30.3	Very low	135 Å²	135	155.6 Å²	155.6	82%	0.818	83%	0.826	S	S	*	*				-163.1	156.3	59.2	173.1	0	0	0	0	111.1
5	S	30.3	Very low	30.5	Very low	106 Å²	106	154.1 Å²	154.1	74%	0.741	83%	0.831	S	S	*	*			trans	-75.1	173.9	-174.7	56.5	0	0	0	0	117.4
6	P	39	Very low	30.6	Very low	121 Å²	121	154.8 Å²	154.8	79%	0.786	83%	0.833	S	S	*	*			trans	-109	171.1	-155.1	41.2	-32.5	0	0	0	115.9
7	L	32.7	Very low	30.8	Very low	163 Å²	163	156.7 Å²	156.7	85%	0.853	84%	0.836	S	S	*	*			trans	-134.2	110.5	170.7	-107.8	137.3	0	0	0	112.3
8	N	29.5	Very low	30.9	Very low	147 Å²	147	157.6 Å²	157.6	79%	0.786	84%	0.839	S	S	*	*			trans	52	120	138.1	-63.8	-9.2	0	0	0	123.8
9	F	25.5	Very low	30.8	Very low	198 Å²	198	156.9 Å²	156.9	87%	0.868	84%	0.835	S	S	*	*			trans	-40.3	143.5	144	-95.3	-116.9	0	0	0	114.3
10	E	28.8	Very low	30.8	Very low	171 Å²	171	154.4 Å²	154.4	80%	0.799	83%	0.828	S	S	*	*				-174.2	121.1	114.8	-97.1	-166.6	171.7	0	0	113.9
11	I	28.9	Very low	30.8	Very low	127 Å²	127	153.6 Å²	153.6	65%	0.651	83%	0.828	S	S	*	*				58.4	101.8	128.2	-52.3	167.7	0	0	0	119.2	C13	I11-C13 HydrophobicContact CG2-CB 4.21Å
12	F	28.7	Very low	31.1	Very low	222 Å²	222	148.1 Å²	148.1	97%	0.974	80%	0.802	S	S	*	*			trans	-97.2	104.8	152.4	-111.1	-94	0	0	0	109.1
13	C	27.7	Very low	31.4	Very low	109 Å²	109	143 Å²	143	74%	0.736	79%	0.788	S	S	*	*			trans	-154.9	99.9	166.5	-159.4	0	0	0	0	110	I11	I11-C13 HydrophobicContact CG2-CB 4.21Å
14	S	29.9	Very low	32.4	Very low	120 Å²	120	143.6 Å²	143.6	84%	0.839	78%	0.78	S	S	*	*			trans	174.2	102	149.2	29.3	0	0	0	0	112.3
15	C	33.2	Very low	33.5	Very low	134 Å²	134	140.5 Å²	140.5	91%	0.905	77%	0.769	S	S	*	*			trans	-140.3	68.9	152.3	-113.9	0	0	0	0	107.6
16	L	32.3	Very low	35.4	Very low	165 Å²	165	139 Å²	139	86%	0.864	75%	0.752	S	S	*	*			trans	-98.2	112.1	159.8	-122.1	87.9	0	0	0	106.7	L18	L16-L18 PolarHBondContact O-N 3.11Å; L16-L18 VanDerWaalsContact O-N 3.15Å
17	Q	34	Very low	37.3	Very low	187 Å²	187	136.8 Å²	136.8	87%	0.874	73%	0.731	S	S	*	*			trans	-60.6	113.4	171.2	-69.1	178.7	-23.3	0	0	108.6	L19	Q17-L19 PolarHBondContact O-N 2.69Å
18	L	32.3	Very low	39.8	Very low	172 Å²	172	129.8 Å²	129.8	90%	0.901	69%	0.694	S	S	*	*			trans	-66.8	95.3	168.3	-76.2	161.9	0	0	0	108.4	L16	L16-L18 PolarHBondContact O-N 3.11Å; L16-L18 VanDerWaalsContact O-N 3.15Å
19	L	28.7	Very low	42.7	Very low	145 Å²	145	123.8 Å²	123.8	76%	0.759	66%	0.663	S	S	*	*			trans	-59.8	134.9	154	-75.3	166.3	0	0	0	107.3	Q17 V21	Q17-L19 PolarHBondContact O-N 2.69Å; L19-V21 PolarHBondContact O-N 3.24Å
20	P	29.9	Very low	45.9	Very low	107 Å²	107	114.5 Å²	114.5	70%	0.695	62%	0.623	S	S	*	*			trans	-63.8	111.8	174.5	26.6	-29.4	0	0	0	106.8	I22	P20-I22 PolarHBondContact O-N 2.97Å
21	V	32.1	Very low	48.9	Very low	137 Å²	137	114.1 Å²	114.1	83%	0.83	61%	0.614	S	S	*	*			trans	-62.9	96.3	165.7	178.5	0	0	0	0	105.4	L19 S23	L19-V21 PolarHBondContact O-N 3.24Å; V21-S23 VanDerWaalsContact C-N 3.31Å; V21-S23 PolarHBondContact O-N 3.15Å
22	I	35.6	Very low	52	Low	115 Å²	115	108.5 Å²	108.5	59%	0.59	59%	0.585	S	S	*	*			trans	-62.9	102.8	167.4	-61.9	173.5	0	0	0	104.5	P20 W24	P20-I22 PolarHBondContact O-N 2.97Å; I22-W24 VanDerWaalsContact C-N 3.31Å; I22-W24 PolarHBondContact O-N 2.98Å
23	S	40.3	Very low	55.2	Low	68 Å²	68	102.2 Å²	102.2	48%	0.476	56%	0.562	S	S	.	*			trans	-62.9	93.5	172.8	169.2	0	0	0	0	108.3	V21 A25	V21-S23 VanDerWaalsContact C-N 3.31Å; V21-S23 PolarHBondContact O-N 3.15Å; S23-A25 PolarHBondContact O-N 3.27Å
24	W	48.1	Very low	58.5	Low	167 Å²	167	99 Å²	99	63%	0.633	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-65.1	-7.8	169.4	-71.5	83.7	0	0	0	112.3	I22 D26 Q27	I22-W24 VanDerWaalsContact C-N 3.31Å; I22-W24 PolarHBondContact O-N 2.98Å; W24-D26 PolarHBondContact O-N 3.4Å; W24-Q27 PolarHBondContact O-N 3.06Å
25	A	55	Low	61.6	Low	70 Å²	70	93.6 Å²	93.6	58%	0.579	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-65.8	-18.2	-173.6	0	0	0	0	0	114.4	S23	S23-A25 PolarHBondContact O-N 3.27Å
26	D	71.4	Confident	64.6	Low	75 Å²	75	87.4 Å²	87.4	40%	0.401	46%	0.456	S	S	.	.	G	3₁₀ helix	trans	-105.3	3.4	-177.9	-61.9	-29.4	0	0	0	113.6	W24 K40 Q41	W24-D26 PolarHBondContact O-N 3.4Å; D26-K40 CarbonylContact O-C 3.56Å; D26-K40 WeakPolarHBondContact O-CA 3.37Å; D26-Q41 HydrophobicContact CB-CB 4.47Å; D26-Q41 PolarHBondContact O-N 3.31Å
27	Q	77.9	Confident	67.6	Low	74 Å²	74	79.5 Å²	79.5	35%	0.346	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	138.6	-178.6	-74.7	-173.2	-21.7	0	0	111.9	W24 G39	W24-Q27 PolarHBondContact O-N 3.06Å; Q27-G39 WeakPolarHBondContact CA-O 3.47Å
28	I	86.3	Confident	70.5	Confident	15 Å²	15	71 Å²	71	8%	0.077	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	136.6	177.3	-176.3	163.2	0	0	0	109.5	I30 S38 G39 F50 F52 I148 F149	I28-I30 HydrophobicContact CD1-CD1 4.36Å; I28-I30 HydrophobicContact CG1-CD1 4.29Å; I28-S38 CarbonylContact O-C 3.58Å; I28-S38 VanDerWaalsContact O-CA 3.26Å; I28-S38 WeakPolarHBondContact O-CA 3.4Å; I28-G39 PolarHBondContact N-O 3.07Å; I28-G39 PolarHBondContact O-N 2.89Å; I28-F50 HydrophobicContact CB-CD1 3.99Å; I28-F50 HydrophobicContact CB-CE1 3.91Å; I28-F50 HydrophobicContact CD1-CD1 3.96Å; I28-F50 HydrophobicContact CD1-CE1 3.65Å; I28-F50 HydrophobicContact CD1-CE2 4.26Å; I28-F50 HydrophobicContact CD1-CG 4.36Å; I28-F50 HydrophobicContact CD1-CZ 3.8Å; I28-F50 HydrophobicContact CG1-CE1 4.4Å; I28-F50 HydrophobicContact CG2-CB 4.44Å; I28-F50 HydrophobicContact CG2-CD1 3.39Å; I28-F50 HydrophobicContact CG2-CE1 3.86Å; I28-F50 HydrophobicContact CG2-CG 4.17Å; I28-F52 HydrophobicContact CG2-CE1 3.96Å; I28-F52 HydrophobicContact CG2-CZ 3.64Å; I28-I148 HydrophobicContact CD1-CB 4.42Å; I28-I148 HydrophobicContact CD1-CD1 3.43Å; I28-I148 VanDerWaalsContact CD1-CD1 3.43Å; I28-I148 HydrophobicContact CD1-CG1 4.13Å; I28-I148 HydrophobicContact CD1-CG2 3.82Å; I28-I148 HydrophobicContact CG1-CD1 4.19Å; I28-F149 HydrophobicContact CD1-CZ 4.28Å
29	V	91	Very high	73.4	Confident	21 Å²	21	62.9 Å²	62.9	13%	0.127	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	126.4	178.5	-177.7	0	0	0	0	110.2	A36 V37 T79 M142	V29-A36 HydrophobicContact CG1-CB 3.88Å; V29-V37 CarbonylContact C-O 3.57Å; V29-V37 WeakPolarHBondContact CA-O 3.27Å; V29-T79 HydrophobicContact CG1-CG2 3.93Å; V29-T79 HydrophobicContact CG2-CG2 4.14Å; V29-M142 HydrophobicContact CG1-CE 3.94Å; V29-M142 HydrophobicContact CG1-SD 4.19Å
30	I	91.3	Very high	76.5	Confident	4 Å²	4	60.5 Å²	60.5	2%	0.021	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	131.5	175.6	-60.1	-60.6	0	0	0	108.9	I28 A36 V37 F52 F149 Y231 F232	I28-I30 HydrophobicContact CD1-CD1 4.36Å; I28-I30 HydrophobicContact CG1-CD1 4.29Å; I30-A36 CarbonylContact O-C 3.28Å; I30-A36 WeakPolarHBondContact O-CA 3.39Å; I30-V37 HydrophobicContact CB-CG2 4.21Å; I30-V37 PolarHBondContact N-O 2.91Å; I30-V37 WeakPolarHBondContact O-CG2 3.46Å; I30-V37 PolarHBondContact O-N 3.45Å; I30-F52 HydrophobicContact CB-CE1 4.16Å; I30-F52 HydrophobicContact CB-CZ 4.34Å; I30-F52 HydrophobicContact CG1-CE1 3.71Å; I30-F52 HydrophobicContact CG1-CE2 4.47Å; I30-F52 HydrophobicContact CG1-CZ 3.46Å; I30-F52 VanDerWaalsContact CG1-CZ 3.46Å; I30-F149 HydrophobicContact CD1-CE2 3.65Å; I30-F149 HydrophobicContact CD1-CZ 4.36Å; I30-F149 HydrophobicContact CG1-CE2 4.17Å; I30-Y231 WeakPolarHBondContact CG2-O 3.37Å; I30-F232 HydrophobicContact CB-CE1 4.08Å; I30-F232 HydrophobicContact CB-CZ 4.38Å; I30-F232 HydrophobicContact CG1-CE1 4.36Å; I30-F232 HydrophobicContact CG2-CD1 4.3Å; I30-F232 HydrophobicContact CG2-CE1 3.93Å; I30-F232 HydrophobicContact CG2-CE2 4.28Å; I30-F232 HydrophobicContact CG2-CZ 3.93Å
31	R	92.2	Very high	79.4	Confident	163 Å²	163	57 Å²	57	62%	0.615	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.7	121.4	176.6	-172.6	173.2	-74.2	-94.8	0.3	110.3
32	T	94.4	Very high	82.2	Confident	9 Å²	9	53.8 Å²	53.8	6%	0.055	27%	0.266	C	S	.	.			trans	-98.6	178.8	173.6	73	0	0	0	0	110.3	Y34 G35 V37 W224 N228 F232	T32-Y34 PolarHBondContact O-N 3.2Å; T32-Y34 PolarHBondContact OG1-N 3.03Å; T32-G35 PolarHBondContact N-O 2.99Å; T32-G35 PolarHBondContact O-N 3.29Å; T32-G35 PolarHBondContact OG1-N 3.34Å; T32-G35 PolarHBondContact OG1-O 3.14Å; T32-V37 HydrophobicContact CG2-CG1 4.33Å; T32-V37 HydrophobicContact CG2-CG2 4.21Å; T32-W224 HydrophobicContact CG2-CH2 4.36Å; T32-W224 HydrophobicContact CG2-CZ2 4.06Å; T32-N228 WeakPolarHBondContact CB-OD1 3.38Å; T32-F232 HydrophobicContact CG2-CE2 3.91Å; T32-F232 HydrophobicContact CG2-CZ 3.84Å
33	N	95.3	Very high	84.8	Confident	89 Å²	89	55.9 Å²	55.9	48%	0.476	27%	0.268	S	S	.	.	S	Bend	trans	-64.4	-24.2	174.3	-66.7	-18.8	0	0	0	113.1	E227 N228 Y231	N33-E227 PolarHBondContact ND2-O 2.91Å; N33-N228 WeakPolarHBondContact CB-OD1 3.49Å; N33-N228 PolarHBondContact N-OD1 3.27Å; N33-Y231 WeakPolarHBondContact OD1-CE2 3.42Å; N33-Y231 PolarHBondContact OD1-OH 2.82Å; N33-Y231 VanDerWaalsContact OD1-OH 3.11Å
34	Y	96.7	Very high	87.1	Confident	42 Å²	42	53 Å²	53	17%	0.165	25%	0.247	C	C	.	.	S	Bend	trans	-97.1	-19.9	-178.6	-65.9	-85.8	0	0	0	113.3	T32 P73 P75 W76 W224	T32-Y34 PolarHBondContact O-N 3.2Å; T32-Y34 PolarHBondContact OG1-N 3.03Å; Y34-P73 HydrophobicContact CD1-CG 3.71Å; Y34-P73 VanDerWaalsContact CD1-O 3.31Å; Y34-P73 WeakPolarHBondContact CD1-O 3.46Å; Y34-P73 HydrophobicContact CD2-CG 4.32Å; Y34-P73 HydrophobicContact CE1-CG 3.66Å; Y34-P73 VanDerWaalsContact CE1-O 3.26Å; Y34-P73 WeakPolarHBondContact CE1-O 3.24Å; Y34-P73 HydrophobicContact CE2-CG 4.29Å; Y34-P73 HydrophobicContact CG-CG 4.05Å; Y34-P75 HydrophobicContact CD1-CG 4.45Å; Y34-P75 CarbonylContact O-C 3.48Å; Y34-P75 WeakPolarHBondContact O-CA 3Å; Y34-P75 WeakPolarHBondContact O-CB 3.4Å; Y34-W76 HydrophobicContact CG-CZ3 4.43Å; Y34-W76 PolarHBondContact O-N 2.78Å; Y34-W224 AromaticContact CD2-CD1 3.97Å; Y34-W224 AromaticContact CD2-NE1 3.66Å; Y34-W224 AromaticContact CE2-CD1 3.71Å; Y34-W224 AromaticContact CE2-NE1 3.9Å
35	G	95.7	Very high	88.8	Confident	6 Å²	6	50.3 Å²	50.3	6%	0.062	24%	0.241	C	C	.	.			trans	153.9	-178.7	178.7	0	0	0	0	0	113.4	T32 W76	T32-G35 PolarHBondContact N-O 2.99Å; T32-G35 PolarHBondContact O-N 3.29Å; T32-G35 PolarHBondContact OG1-N 3.34Å; T32-G35 PolarHBondContact OG1-O 3.14Å; G35-W76 VanDerWaalsContact C-NE1 3.25Å
36	A	95.5	Very high	90.2	Very high	4 Å²	4	48.6 Å²	48.6	3%	0.033	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	138.5	179.6	0	0	0	0	0	111.6	V29 I30 W76 T79 L80	V29-A36 HydrophobicContact CG1-CB 3.88Å; I30-A36 CarbonylContact O-C 3.28Å; I30-A36 WeakPolarHBondContact O-CA 3.39Å; A36-W76 PolarHBondContact O-NE1 2.96Å; A36-T79 HydrophobicContact CB-CG2 4.19Å; A36-T79 WeakPolarHBondContact O-CA 3.49Å; A36-L80 PolarHBondContact O-N 2.92Å
37	V	95.5	Very high	91.1	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	135.1	175.7	-58.7	0	0	0	0	110.1	V29 I30 T32 F52 I55 W76 L80 A82 F232	V29-V37 CarbonylContact C-O 3.57Å; V29-V37 WeakPolarHBondContact CA-O 3.27Å; I30-V37 HydrophobicContact CB-CG2 4.21Å; I30-V37 PolarHBondContact N-O 2.91Å; I30-V37 WeakPolarHBondContact O-CG2 3.46Å; I30-V37 PolarHBondContact O-N 3.45Å; T32-V37 HydrophobicContact CG2-CG1 4.33Å; T32-V37 HydrophobicContact CG2-CG2 4.21Å; V37-F52 HydrophobicContact CG2-CD1 3.84Å; V37-F52 HydrophobicContact CG2-CE1 4.19Å; V37-I55 HydrophobicContact CG1-CG1 4.39Å; V37-I55 HydrophobicContact CG1-CG2 4.28Å; V37-I55 HydrophobicContact CG2-CD1 4.27Å; V37-W76 HydrophobicContact CG1-CZ2 3.65Å; V37-L80 CarbonylContact C-O 3.57Å; V37-L80 WeakPolarHBondContact CA-O 3.26Å; V37-L80 HydrophobicContact CG1-CB 4.27Å; V37-L80 HydrophobicContact CG1-CD2 4.12Å; V37-A82 HydrophobicContact CB-CB 4.34Å; V37-F232 HydrophobicContact CG2-CE1 4.06Å; V37-F232 HydrophobicContact CG2-CZ 3.84Å
38	S	94.6	Very high	91.7	Very high	9 Å²	9	46 Å²	46	6%	0.063	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	118.8	175.9	-178.4	0	0	0	0	110.2	I28 L80 A82	I28-S38 CarbonylContact O-C 3.58Å; I28-S38 VanDerWaalsContact O-CA 3.26Å; I28-S38 WeakPolarHBondContact O-CA 3.4Å; S38-L80 PolarHBondContact N-O 3.08Å; S38-A82 CarbonylContact O-C 3.54Å; S38-A82 VanDerWaalsContact O-C 3.23Å; S38-A82 VanDerWaalsContact O-CA 3.26Å; S38-A82 WeakPolarHBondContact O-CA 3.35Å; S38-A82 WeakPolarHBondContact O-CB 3.3Å; S38-A82 PolarHBondContact O-N 3.45Å
39	G	94.9	Very high	92	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	179.5	174.7	0	0	0	0	0	112.7	Q27 I28 Q51 F52	Q27-G39 WeakPolarHBondContact CA-O 3.47Å; I28-G39 PolarHBondContact N-O 3.07Å; I28-G39 PolarHBondContact O-N 2.89Å; G39-Q51 CarbonylContact C-O 3.23Å; G39-Q51 VanDerWaalsContact CA-O 3.27Å; G39-Q51 WeakPolarHBondContact CA-O 3.34Å; G39-F52 VanDerWaalsContact CA-CD1 3.45Å
40	K	93.2	Very high	92.2	Very high	96 Å²	96	44.3 Å²	44.3	42%	0.417	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	138.7	177.6	-179.3	175.5	-179.4	177.1	0	111.2	D26 F50 Q51 T83	D26-K40 CarbonylContact O-C 3.56Å; D26-K40 WeakPolarHBondContact O-CA 3.37Å; K40-F50 WeakPolarHBondContact O-CA 3.48Å; K40-Q51 HydrophobicContact CB-CG 4.08Å; K40-Q51 PolarHBondContact N-O 3.3Å; K40-Q51 WeakPolarHBondContact O-CG 3.23Å; K40-Q51 PolarHBondContact O-N 2.97Å; K40-T83 HydrophobicContact CB-CG2 4.16Å
41	Q	91.1	Very high	92.5	Very high	33 Å²	33	45.3 Å²	45.3	15%	0.154	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	141.4	169.8	-169.7	179.6	-23.4	0	0	111.3	D26 N48 V49 F50 Y131	D26-Q41 HydrophobicContact CB-CB 4.47Å; D26-Q41 PolarHBondContact O-N 3.31Å; Q41-N48 PolarHBondContact NE2-OD1 3.3Å; Q41-V49 CarbonylContact C-O 3.48Å; Q41-F50 HydrophobicContact CB-CD1 3.82Å; Q41-F50 HydrophobicContact CB-CE1 3.67Å; Q41-F50 HydrophobicContact CG-CD1 4.12Å; Q41-F50 HydrophobicContact CG-CE1 3.75Å; Q41-F50 HydrophobicContact CG-CZ 4.2Å; Q41-Y131 PolarHBondContact OE1-OH 3.37Å
42	K	90.7	Very high	92.7	Very high	69 Å²	69	37.6 Å²	37.6	30%	0.3	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	134.7	171.2	-168.8	173	176.3	-175.5	0	109.3	I44 V49	K42-I44 HydrophobicContact CB-CG1 4.46Å; K42-I44 HydrophobicContact CD-CD1 4.08Å; K42-I44 HydrophobicContact CD-CG1 4.19Å; K42-I44 HydrophobicContact CG-CD1 4.29Å; K42-I44 HydrophobicContact CG-CG1 3.95Å; K42-V49 PolarHBondContact N-O 2.86Å; K42-V49 PolarHBondContact O-N 3.26Å; K42-V49 VanDerWaalsContact O-O 3.13Å
43	Y	89	Confident	92.9	Very high	160 Å²	160	37.9 Å²	37.9	63%	0.627	18%	0.183	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.4	113.5	174.8	-162.2	-115.7	0	0	0	109.9	G46 K47 N48	Y43-G46 WeakPolarHBondContact OH-CA 3.36Å; Y43-K47 WeakPolarHBondContact CA-O 3.36Å; Y43-N48 WeakPolarHBondContact CD2-OD1 3.47Å
44	I	88.8	Confident	93	Very high	7 Å²	7	34 Å²	34	4%	0.036	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	115.7	-177.2	-59.1	-179.3	0	0	0	108.5	K42 G46 K47 V49 A179 Y180	K42-I44 HydrophobicContact CB-CG1 4.46Å; K42-I44 HydrophobicContact CD-CD1 4.08Å; K42-I44 HydrophobicContact CD-CG1 4.19Å; K42-I44 HydrophobicContact CG-CD1 4.29Å; K42-I44 HydrophobicContact CG-CG1 3.95Å; I44-G46 VanDerWaalsContact C-N 3.31Å; I44-G46 PolarHBondContact O-N 3.18Å; I44-K47 PolarHBondContact N-O 2.9Å; I44-K47 WeakPolarHBondContact O-CB 3.25Å; I44-K47 PolarHBondContact O-N 3.45Å; I44-V49 HydrophobicContact CB-CG2 4.15Å; I44-V49 HydrophobicContact CD1-CB 4.19Å; I44-V49 HydrophobicContact CD1-CG1 4.5Å; I44-V49 HydrophobicContact CD1-CG2 4.16Å; I44-V49 HydrophobicContact CG1-CG2 4.36Å; I44-A179 HydrophobicContact CD1-CB 3.42Å; I44-A179 VanDerWaalsContact CD1-CB 3.42Å; I44-Y180 HydrophobicContact CG2-CD1 3.6Å; I44-Y180 HydrophobicContact CG2-CE1 3.64Å; I44-Y180 HydrophobicContact CG2-CG 4.41Å
45	H	84.6	Confident	93.1	Very high	110 Å²	110	32 Å²	32	51%	0.509	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.6	48.2	176.5	-65.3	159.6	0	0	0	114.5	K47 F551	H45-K47 VanDerWaalsContact C-N 3.31Å; H45-K47 PolarHBondContact O-N 2.95Å; H45-F551 AromaticContact CE1-CD1 3.61Å; H45-F551 AromaticContact CE1-CG 3.9Å
46	G	85.3	Confident	93.2	Very high	34 Å²	34	32.6 Å²	32.6	35%	0.351	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	8.6	178.4	0	0	0	0	0	114.6	Y43 I44	Y43-G46 WeakPolarHBondContact OH-CA 3.36Å; I44-G46 VanDerWaalsContact C-N 3.31Å; I44-G46 PolarHBondContact O-N 3.18Å
47	K	89	Confident	93.4	Very high	67 Å²	67	32.6 Å²	32.6	29%	0.291	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	141.2	-176.8	-56	-61.9	179.2	-171.7	0	111.2	Y43 I44 H45 V49 R125 N128	Y43-K47 WeakPolarHBondContact CA-O 3.36Å; I44-K47 PolarHBondContact N-O 2.9Å; I44-K47 WeakPolarHBondContact O-CB 3.25Å; I44-K47 PolarHBondContact O-N 3.45Å; H45-K47 VanDerWaalsContact C-N 3.31Å; H45-K47 PolarHBondContact O-N 2.95Å; K47-V49 PolarHBondContact O-N 2.96Å; K47-R125 HydrophobicContact CB-CG 4.2Å; K47-N128 PolarHBondContact NZ-ND2 3.25Å
48	N	90.7	Very high	93.6	Very high	27 Å²	27	32.9 Å²	32.9	14%	0.144	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	115.7	170.7	-66.6	-47.8	0	0	0	109.2	Q41 Y43 R125 A126 Y131	Q41-N48 PolarHBondContact NE2-OD1 3.3Å; Y43-N48 WeakPolarHBondContact CD2-OD1 3.47Å; N48-R125 CarbonylContact O-C 3.45Å; N48-R125 WeakPolarHBondContact O-CA 3.41Å; N48-R125 WeakPolarHBondContact O-CG 3.42Å; N48-A126 HydrophobicContact CB-CB 3.85Å; N48-A126 PolarHBondContact O-N 3.43Å; N48-Y131 HydrophobicContact CB-CD1 4.44Å; N48-Y131 HydrophobicContact CB-CE1 4.25Å; N48-Y131 VanDerWaalsContact ND2-CD1 3.28Å; N48-Y131 WeakPolarHBondContact ND2-CD1 3.38Å; N48-Y131 VanDerWaalsContact ND2-CE1 3.31Å; N48-Y131 WeakPolarHBondContact ND2-CE1 3.29Å
49	V	93.5	Very high	93.7	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.006	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	131.4	175.3	-178	0	0	0	0	107.9	Q41 K42 I44 K47 T124 R125 A179	Q41-V49 CarbonylContact C-O 3.48Å; K42-V49 PolarHBondContact N-O 2.86Å; K42-V49 PolarHBondContact O-N 3.26Å; K42-V49 VanDerWaalsContact O-O 3.13Å; I44-V49 HydrophobicContact CB-CG2 4.15Å; I44-V49 HydrophobicContact CD1-CB 4.19Å; I44-V49 HydrophobicContact CD1-CG1 4.5Å; I44-V49 HydrophobicContact CD1-CG2 4.16Å; I44-V49 HydrophobicContact CG1-CG2 4.36Å; K47-V49 PolarHBondContact O-N 2.96Å; V49-T124 CarbonylContact C-O 3.58Å; V49-R125 HydrophobicContact CG2-CG 4.48Å; V49-A179 HydrophobicContact CG1-CB 4.21Å
50	F	94.5	Very high	93.9	Very high	1 Å²	1	37.5 Å²	37.5	0%	0.004	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	138	174.2	-62.5	-83.9	0	0	0	109.4	I28 K40 Q41 F52 W123 T124 A126 Y131 I148 F149	I28-F50 HydrophobicContact CB-CD1 3.99Å; I28-F50 HydrophobicContact CB-CE1 3.91Å; I28-F50 HydrophobicContact CD1-CD1 3.96Å; I28-F50 HydrophobicContact CD1-CE1 3.65Å; I28-F50 HydrophobicContact CD1-CE2 4.26Å; I28-F50 HydrophobicContact CD1-CG 4.36Å; I28-F50 HydrophobicContact CD1-CZ 3.8Å; I28-F50 HydrophobicContact CG1-CE1 4.4Å; I28-F50 HydrophobicContact CG2-CB 4.44Å; I28-F50 HydrophobicContact CG2-CD1 3.39Å; I28-F50 HydrophobicContact CG2-CE1 3.86Å; I28-F50 HydrophobicContact CG2-CG 4.17Å; K40-F50 WeakPolarHBondContact O-CA 3.48Å; Q41-F50 HydrophobicContact CB-CD1 3.82Å; Q41-F50 HydrophobicContact CB-CE1 3.67Å; Q41-F50 HydrophobicContact CG-CD1 4.12Å; Q41-F50 HydrophobicContact CG-CE1 3.75Å; Q41-F50 HydrophobicContact CG-CZ 4.2Å; F50-F52 HydrophobicContact CB-CE2 3.93Å; F50-F52 HydrophobicContact CB-CZ 4.47Å; F50-W123 WeakPolarHBondContact O-CA 3.28Å; F50-T124 HydrophobicContact CB-CG2 4.11Å; F50-T124 PolarHBondContact N-O 2.96Å; F50-T124 PolarHBondContact O-N 2.84Å; F50-A126 HydrophobicContact CE2-CB 3.85Å; F50-Y131 HydrophobicContact CE2-CE2 4.29Å; F50-Y131 AromaticContact CZ-CE2 3.71Å; F50-Y131 HydrophobicContact CZ-CE2 3.71Å; F50-Y131 AromaticContact CZ-CZ 3.77Å; F50-I148 HydrophobicContact CD2-CG2 4.32Å; F50-I148 HydrophobicContact CE2-CG2 3.58Å; F50-I148 HydrophobicContact CZ-CG2 4.03Å; F50-F149 HydrophobicContact CB-CE1 4.43Å; F50-F149 HydrophobicContact CB-CZ 4.49Å; F50-F149 AromaticContact CD2-CE1 3.61Å; F50-F149 HydrophobicContact CD2-CE1 3.61Å; F50-F149 HydrophobicContact CD2-CZ 4.19Å; F50-F149 HydrophobicContact CE2-CE1 4.17Å; F50-F149 HydrophobicContact CG-CE1 4.29Å; F50-F149 HydrophobicContact CG-CZ 4.48Å
51	Q	96.4	Very high	94.2	Very high	25 Å²	25	33.1 Å²	33.1	12%	0.117	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	132.8	176.6	61.7	-176.2	37.2	0	0	109.7	G39 K40 L53 I122 W123	G39-Q51 CarbonylContact C-O 3.23Å; G39-Q51 VanDerWaalsContact CA-O 3.27Å; G39-Q51 WeakPolarHBondContact CA-O 3.34Å; K40-Q51 HydrophobicContact CB-CG 4.08Å; K40-Q51 PolarHBondContact N-O 3.3Å; K40-Q51 WeakPolarHBondContact O-CG 3.23Å; K40-Q51 PolarHBondContact O-N 2.97Å; Q51-L53 HydrophobicContact CB-CD2 4.18Å; Q51-L53 HydrophobicContact CB-CG 4.34Å; Q51-L53 HydrophobicContact CG-CG 4.44Å; Q51-I122 CarbonylContact C-O 3.08Å; Q51-I122 WeakPolarHBondContact CA-O 3.26Å; Q51-W123 HydrophobicContact CB-CG 4.49Å
52	F	97.7	Very high	94.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	106.7	173.1	-55.9	-98.4	0	0	0	106.5	I28 I30 V37 G39 F50 I55 A82 N121 I122 T124 F149 F232	I28-F52 HydrophobicContact CG2-CE1 3.96Å; I28-F52 HydrophobicContact CG2-CZ 3.64Å; I30-F52 HydrophobicContact CB-CE1 4.16Å; I30-F52 HydrophobicContact CB-CZ 4.34Å; I30-F52 HydrophobicContact CG1-CE1 3.71Å; I30-F52 HydrophobicContact CG1-CE2 4.47Å; I30-F52 HydrophobicContact CG1-CZ 3.46Å; I30-F52 VanDerWaalsContact CG1-CZ 3.46Å; V37-F52 HydrophobicContact CG2-CD1 3.84Å; V37-F52 HydrophobicContact CG2-CE1 4.19Å; G39-F52 VanDerWaalsContact CA-CD1 3.45Å; F50-F52 HydrophobicContact CB-CE2 3.93Å; F50-F52 HydrophobicContact CB-CZ 4.47Å; F52-I55 HydrophobicContact CB-CD1 3.81Å; F52-I55 HydrophobicContact CB-CG1 4.32Å; F52-A82 CarbonylContact C-O 3.54Å; F52-A82 WeakPolarHBondContact CA-O 3.26Å; F52-A82 HydrophobicContact CB-CB 4.26Å; F52-N121 CarbonylContact O-C 3.55Å; F52-N121 VanDerWaalsContact O-CA 3.26Å; F52-N121 WeakPolarHBondContact O-CA 3.36Å; F52-I122 HydrophobicContact CB-CB 4.37Å; F52-I122 HydrophobicContact CD2-CB 4.49Å; F52-I122 PolarHBondContact N-O 2.81Å; F52-I122 PolarHBondContact O-N 3.48Å; F52-T124 HydrophobicContact CE2-CG2 4.06Å; F52-F149 HydrophobicContact CE2-CZ 4.37Å; F52-F149 HydrophobicContact CZ-CZ 4.49Å; F52-F232 HydrophobicContact CB-CE1 4.35Å; F52-F232 AromaticContact CD1-CE1 3.82Å; F52-F232 HydrophobicContact CD1-CE1 3.82Å; F52-F232 AromaticContact CD2-CD1 3.66Å; F52-F232 HydrophobicContact CD2-CD1 3.66Å; F52-F232 AromaticContact CD2-CE1 3.68Å; F52-F232 HydrophobicContact CD2-CE1 3.68Å; F52-F232 AromaticContact CE1-CE1 3.96Å; F52-F232 HydrophobicContact CE1-CE1 3.96Å; F52-F232 AromaticContact CE2-CD1 3.62Å; F52-F232 HydrophobicContact CE2-CD1 3.62Å; F52-F232 AromaticContact CE2-CE1 3.84Å; F52-F232 HydrophobicContact CE2-CE1 3.84Å; F52-F232 HydrophobicContact CG-CD1 4.17Å; F52-F232 AromaticContact CG-CE1 3.68Å; F52-F232 HydrophobicContact CG-CE1 3.68Å; F52-F232 HydrophobicContact CZ-CD1 4.07Å; F52-F232 AromaticContact CZ-CE1 3.98Å; F52-F232 HydrophobicContact CZ-CE1 3.98Å
53	L	98	Very high	94.7	Very high	15 Å²	15	33.1 Å²	33.1	8%	0.079	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	126.8	-171.3	-52	-179.1	0	0	0	108.2	Q51 A82 K84 P85 N121 W123	Q51-L53 HydrophobicContact CB-CD2 4.18Å; Q51-L53 HydrophobicContact CB-CG 4.34Å; Q51-L53 HydrophobicContact CG-CG 4.44Å; L53-A82 PolarHBondContact N-O 3.2Å; L53-A82 CarbonylContact O-C 3.3Å; L53-A82 WeakPolarHBondContact O-CA 3.44Å; L53-A82 WeakPolarHBondContact O-CB 3.15Å; L53-K84 CarbonylContact C-O 3.41Å; L53-K84 VanDerWaalsContact C-O 3.28Å; L53-K84 VanDerWaalsContact CB-O 3.31Å; L53-K84 WeakPolarHBondContact CB-O 3.19Å; L53-P85 HydrophobicContact CD1-CG 4.16Å; L53-N121 VanDerWaalsContact CA-OD1 3.26Å; L53-N121 WeakPolarHBondContact CA-OD1 3.18Å; L53-N121 HydrophobicContact CD2-CB 3.89Å; L53-W123 HydrophobicContact CD2-CH2 4.36Å; L53-W123 HydrophobicContact CD2-CZ2 3.63Å
54	G	98	Very high	95	Very high	9 Å²	9	30.2 Å²	30.2	9%	0.093	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	81.1	45.5	176.4	0	0	0	0	0	115.5	Y119 L120 N121	G54-Y119 VanDerWaalsContact O-CD1 3.32Å; G54-Y119 WeakPolarHBondContact O-CD1 3.48Å; G54-L120 PolarHBondContact N-O 3.3Å; G54-N121 PolarHBondContact N-OD1 3.08Å
55	I	98.6	Very high	95.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	123.3	170.8	-53.3	174.5	0	0	0	109.2	V37 F52 F57 W76 A82 Y119 L120 I122 W224 F232	V37-I55 HydrophobicContact CG1-CG1 4.39Å; V37-I55 HydrophobicContact CG1-CG2 4.28Å; V37-I55 HydrophobicContact CG2-CD1 4.27Å; F52-I55 HydrophobicContact CB-CD1 3.81Å; F52-I55 HydrophobicContact CB-CG1 4.32Å; I55-F57 PolarHBondContact O-N 2.71Å; I55-W76 HydrophobicContact CG2-CH2 4.31Å; I55-A82 HydrophobicContact CG1-CB 4.08Å; I55-Y119 CarbonylContact O-C 3.58Å; I55-Y119 VanDerWaalsContact O-CA 3.27Å; I55-Y119 WeakPolarHBondContact O-CA 3.1Å; I55-L120 HydrophobicContact CB-CD1 3.96Å; I55-L120 HydrophobicContact CB-CG 4.46Å; I55-L120 HydrophobicContact CD1-CD1 4.18Å; I55-L120 HydrophobicContact CG1-CD1 4.48Å; I55-L120 PolarHBondContact N-O 2.58Å; I55-L120 PolarHBondContact O-N 3.37Å; I55-I122 HydrophobicContact CD1-CD1 3.82Å; I55-I122 HydrophobicContact CD1-CG1 4.32Å; I55-W224 HydrophobicContact CD1-CH2 4.09Å; I55-W224 HydrophobicContact CG2-CH2 4.1Å; I55-W224 HydrophobicContact CG2-CZ2 3.57Å; I55-F232 HydrophobicContact CD1-CE1 4.3Å; I55-F232 HydrophobicContact CD1-CZ 3.94Å
56	P	98.6	Very high	96.1	Very high	18 Å²	18	27.3 Å²	27.3	12%	0.117	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	129.6	177.8	27.6	-32.7	0	0	0	110.1	P73 W76 L80 Y119	P56-P73 HydrophobicContact CB-CB 4.49Å; P56-W76 HydrophobicContact CG-CE3 4.37Å; P56-W76 HydrophobicContact CG-CH2 3.98Å; P56-W76 HydrophobicContact CG-CZ3 3.66Å; P56-L80 HydrophobicContact CG-CD2 4.19Å; P56-Y119 HydrophobicContact CB-CD1 3.94Å; P56-Y119 HydrophobicContact CB-CE1 3.76Å; P56-Y119 HydrophobicContact CG-CE1 4.3Å
57	F	98.6	Very high	96.7	Very high	4 Å²	4	25.7 Å²	25.7	2%	0.018	15%	0.148	C	C	.	.	S	Bend	trans	-108.8	-4.6	173.6	68.6	-101.4	0	0	0	112.7	I55 P73 L118 Y119 L120 I192 Q193 D217 A220 W224	I55-F57 PolarHBondContact O-N 2.71Å; F57-P73 WeakPolarHBondContact O-CD 3.04Å; F57-L118 WeakPolarHBondContact CD1-O 3.34Å; F57-L118 HydrophobicContact CE1-CB 4.21Å; F57-L118 HydrophobicContact CE2-CB 4.09Å; F57-L118 HydrophobicContact CZ-CB 3.81Å; F57-L118 HydrophobicContact CZ-CD2 4.05Å; F57-L118 HydrophobicContact CZ-CG 4.45Å; F57-L118 PolarHBondContact N-O 2.89Å; F57-L118 VanDerWaalsContact N-O 3.17Å; F57-Y119 VanDerWaalsContact CD1-C 3.5Å; F57-Y119 WeakPolarHBondContact CE1-O 3.21Å; F57-L120 HydrophobicContact CB-CD2 3.82Å; F57-L120 HydrophobicContact CB-CG 4.45Å; F57-L120 HydrophobicContact CD1-CB 4.1Å; F57-L120 HydrophobicContact CD1-CD2 4.07Å; F57-L120 HydrophobicContact CD1-CG 4.2Å; F57-L120 HydrophobicContact CG-CD2 4.28Å; F57-I192 HydrophobicContact CE1-CG2 3.89Å; F57-I192 HydrophobicContact CZ-CG2 4.02Å; F57-Q193 WeakPolarHBondContact CE1-O 3.48Å; F57-Q193 VanDerWaalsContact CZ-O 3.22Å; F57-Q193 WeakPolarHBondContact CZ-O 3.39Å; F57-D217 HydrophobicContact CE2-CB 4.47Å; F57-D217 WeakPolarHBondContact CE2-O 3.42Å; F57-D217 HydrophobicContact CZ-CB 4.48Å; F57-A220 HydrophobicContact CD2-CB 4.09Å; F57-A220 HydrophobicContact CE2-CB 4.24Å; F57-W224 HydrophobicContact CB-CB 3.88Å; F57-W224 HydrophobicContact CB-CG 3.83Å
58	A	98.7	Very high	97.1	Very high	5 Å²	5	26 Å²	26	4%	0.041	15%	0.147	C	C	.	.	S	Bend	trans	-153.7	164.6	176.4	0	0	0	0	0	110.4	P70 E71 L118	A58-P70 HydrophobicContact CB-CB 3.81Å; A58-E71 CarbonylContact C-O 3.57Å; A58-E71 WeakPolarHBondContact CA-O 3.45Å; A58-E71 VanDerWaalsContact CB-O 3.3Å; A58-E71 WeakPolarHBondContact CB-O 3.27Å; A58-L118 HydrophobicContact CB-CB 3.96Å; A58-L118 HydrophobicContact CB-CD1 3.65Å; A58-L118 HydrophobicContact CB-CG 4.47Å
59	K	98.6	Very high	97.4	Very high	56 Å²	56	27.4 Å²	27.4	24%	0.243	15%	0.151	C	C	.	.			trans	-64.2	153.3	169.3	-72	-179.3	-169.3	167.8	0	111.3	P61 L65 E71 P72 D74	K59-P61 WeakPolarHBondContact O-CD 3.33Å; K59-L65 HydrophobicContact CB-CD1 4.18Å; K59-L65 HydrophobicContact CD-CD1 4.4Å; K59-E71 HydrophobicContact CB-CB 4.42Å; K59-E71 HydrophobicContact CD-CB 3.99Å; K59-E71 HydrophobicContact CG-CB 4.37Å; K59-E71 PolarHBondContact N-O 2.88Å; K59-E71 IonicContact NZ-OE2 2.66Å; K59-E71 PolarHBondContact NZ-OE2 2.98Å; K59-P72 WeakPolarHBondContact CE-O 3.44Å; K59-P72 WeakPolarHBondContact CG-O 3.5Å; K59-D74 VanDerWaalsContact CE-OD1 3.26Å; K59-D74 WeakPolarHBondContact CE-OD1 3.33Å; K59-D74 IonicContact NZ-OD1 3.41Å
60	P	98.5	Very high	97.7	Very high	51 Å²	51	28.5 Å²	28.5	33%	0.331	16%	0.158	S	C	.	.			trans	-56.3	123.2	171.1	-23.6	33.8	0	0	0	111	T62 D116	P60-T62 HydrophobicContact CB-CG2 4.2Å; P60-T62 PolarHBondContact O-N 3.4Å; P60-D116 HydrophobicContact CB-CB 3.99Å; P60-D116 HydrophobicContact CG-CB 4.4Å
61	P	98.3	Very high	97.8	Very high	4 Å²	4	32 Å²	32	3%	0.026	17%	0.174	C	C	.	.			trans	-80.3	54	-179.1	33.9	-37.6	0	0	0	111.8	K59 R66 E115 L118 R195	K59-P61 WeakPolarHBondContact O-CD 3.33Å; P61-R66 WeakPolarHBondContact O-CA 3.48Å; P61-E115 VanDerWaalsContact CD-O 3.26Å; P61-E115 WeakPolarHBondContact CD-O 3.2Å; P61-E115 WeakPolarHBondContact CG-O 3.36Å; P61-L118 HydrophobicContact CB-CD1 4.27Å; P61-L118 HydrophobicContact CG-CD1 3.85Å; P61-L118 HydrophobicContact CG-CG 3.98Å; P61-R195 HydrophobicContact CG-CG 4.25Å
62	T	97.8	Very high	97.9	Very high	60 Å²	60	34.9 Å²	34.9	37%	0.368	20%	0.195	S	C	.	.			trans	-108	163.2	-175.3	59.8	0	0	0	0	112.1	P60 D64 L65 E115	P60-T62 HydrophobicContact CB-CG2 4.2Å; P60-T62 PolarHBondContact O-N 3.4Å; T62-D64 PolarHBondContact O-N 3.28Å; T62-L65 WeakPolarHBondContact O-CB 3.37Å; T62-L65 PolarHBondContact O-N 3.34Å; T62-E115 HydrophobicContact CG2-CB 3.68Å
63	G	96.1	Very high	97.9	Very high	42 Å²	42	35.2 Å²	35.2	43%	0.433	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	56.2	-122.5	178.1	0	0	0	0	0	111.9	L65 R66	G63-L65 PolarHBondContact O-N 3.39Å; G63-R66 VanDerWaalsContact O-CB 3.24Å; G63-R66 WeakPolarHBondContact O-CB 3.47Å; G63-R66 PolarHBondContact O-N 3.14Å; G63-R66 VanDerWaalsContact O-N 3.12Å
64	D	95.1	Very high	97.8	Very high	98 Å²	98	39.8 Å²	39.8	52%	0.524	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-67.4	-20.3	178.8	-72.2	-23	0	0	0	113.8	T62 R66 R68 K315 Q318	T62-D64 PolarHBondContact O-N 3.28Å; D64-R66 VanDerWaalsContact C-N 3.33Å; D64-R68 VanDerWaalsContact O-CD 3.29Å; D64-R68 WeakPolarHBondContact O-CD 3.45Å; D64-R68 PolarHBondContact O-NE 3.18Å; D64-K315 IonicContact OD1-NZ 3.7Å; D64-K315 PolarHBondContact OD1-NZ 2.87Å; D64-Q318 PolarHBondContact O-NE2 3.22Å
65	L	97.7	Very high	97.7	Very high	36 Å²	36	44.1 Å²	44.1	19%	0.188	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-83.1	-10.5	174.7	-63.5	-179.3	0	0	0	112.8	K59 T62 G63 F67 R68 E71	K59-L65 HydrophobicContact CB-CD1 4.18Å; K59-L65 HydrophobicContact CD-CD1 4.4Å; T62-L65 WeakPolarHBondContact O-CB 3.37Å; T62-L65 PolarHBondContact O-N 3.34Å; G63-L65 PolarHBondContact O-N 3.39Å; L65-F67 PolarHBondContact O-N 2.88Å; L65-R68 PolarHBondContact O-N 3.14Å; L65-R68 VanDerWaalsContact O-N 3.13Å; L65-E71 HydrophobicContact CD2-CG 4.33Å; L65-E71 WeakPolarHBondContact CD2-OE1 3.46Å
66	R	97.9	Very high	97.6	Very high	21 Å²	21	46.3 Å²	46.3	8%	0.079	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	133.7	175.1	-171.9	-171.3	-73.4	176	-6.5	109.5	P61 G63 D64 R68 E115 L199 Q318 V320	P61-R66 WeakPolarHBondContact O-CA 3.48Å; G63-R66 VanDerWaalsContact O-CB 3.24Å; G63-R66 WeakPolarHBondContact O-CB 3.47Å; G63-R66 PolarHBondContact O-N 3.14Å; G63-R66 VanDerWaalsContact O-N 3.12Å; D64-R66 VanDerWaalsContact C-N 3.33Å; R66-R68 PolarHBondContact O-N 2.67Å; R66-E115 WeakPolarHBondContact CD-OE1 3.36Å; R66-E115 IonicContact CZ-OE1 3.21Å; R66-E115 IonicContact CZ-OE2 2.91Å; R66-E115 IonicContact NE-OE1 3Å; R66-E115 PolarHBondContact NE-OE1 3.36Å; R66-E115 IonicContact NE-OE2 3.07Å; R66-E115 PolarHBondContact NE-OE2 3.08Å; R66-E115 VanDerWaalsContact NH2-CD 3.31Å; R66-E115 IonicContact NH2-OE1 3.67Å; R66-E115 PolarHBondContact NH2-OE1 2.92Å; R66-E115 IonicContact NH2-OE2 3.07Å; R66-E115 PolarHBondContact NH2-OE2 3.25Å; R66-L199 HydrophobicContact CG-CD2 4.03Å; R66-Q318 HydrophobicContact CB-CG 4.38Å; R66-Q318 PolarHBondContact NH1-O 3.46Å; R66-Q318 PolarHBondContact O-NE2 2.96Å; R66-V320 PolarHBondContact NH1-O 3.38Å
67	F	97.5	Very high	97.4	Very high	0 Å²	0	51 Å²	51	0%	0	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.6	-3.7	-175.3	-45.4	-64.6	0	0	0	116.9	L65 L199 L202 E208 I209 Q213 L317 Q318 L325	L65-F67 PolarHBondContact O-N 2.88Å; F67-L199 HydrophobicContact CE1-CD2 3.8Å; F67-L199 HydrophobicContact CZ-CD2 4.23Å; F67-L202 HydrophobicContact CD1-CB 4.3Å; F67-L202 HydrophobicContact CD1-CD2 4.05Å; F67-L202 HydrophobicContact CE1-CD2 3.88Å; F67-L202 HydrophobicContact CZ-CD2 4.22Å; F67-E208 CarbonylContact C-O 3.25Å; F67-I209 HydrophobicContact CB-CB 4.31Å; F67-I209 HydrophobicContact CB-CD1 3.85Å; F67-I209 HydrophobicContact CB-CG1 3.71Å; F67-I209 HydrophobicContact CB-CG2 4.09Å; F67-I209 HydrophobicContact CD2-CD1 3.73Å; F67-I209 HydrophobicContact CD2-CG1 4.44Å; F67-I209 HydrophobicContact CE2-CD1 4.48Å; F67-I209 HydrophobicContact CG-CD1 3.9Å; F67-I209 HydrophobicContact CG-CG1 4.33Å; F67-Q213 WeakPolarHBondContact O-CG 3.21Å; F67-Q213 PolarHBondContact O-NE2 3.17Å; F67-L317 HydrophobicContact CE2-CB 3.85Å; F67-L317 HydrophobicContact CZ-CB 4.32Å; F67-Q318 HydrophobicContact CD2-CG 3.95Å; F67-Q318 HydrophobicContact CE2-CG 4.13Å; F67-L325 HydrophobicContact CE1-CD1 4.39Å; F67-L325 HydrophobicContact CZ-CD1 3.74Å
68	R	97.3	Very high	97.2	Very high	72 Å²	72	57 Å²	57	27%	0.272	32%	0.322	S	S	.	.	S	Bend	trans	-84.4	165.6	173.3	-64.9	-174.4	176.2	-178.7	1.1	111.2	D64 L65 R66 R195 E208	D64-R68 VanDerWaalsContact O-CD 3.29Å; D64-R68 WeakPolarHBondContact O-CD 3.45Å; D64-R68 PolarHBondContact O-NE 3.18Å; L65-R68 PolarHBondContact O-N 3.14Å; L65-R68 VanDerWaalsContact O-N 3.13Å; R66-R68 PolarHBondContact O-N 2.67Å; R68-R195 VanDerWaalsContact O-CZ 3.24Å; R68-R195 PolarHBondContact O-NH1 2.85Å; R68-R195 PolarHBondContact O-NH2 3.42Å; R68-E208 WeakPolarHBondContact CG-O 3.27Å; R68-E208 IonicContact CZ-OE1 2.99Å; R68-E208 IonicContact CZ-OE2 2.8Å; R68-E208 IonicContact NE-OE1 2.77Å; R68-E208 IonicContact NE-OE2 2.88Å; R68-E208 PolarHBondContact NE-OE2 3.1Å; R68-E208 IonicContact NH2-OE1 3.9Å; R68-E208 PolarHBondContact NH2-OE1 2.92Å; R68-E208 IonicContact NH2-OE2 3.31Å; R68-E208 PolarHBondContact NH2-OE2 3.39Å
69	Y	98.1	Very high	97	Very high	57 Å²	57	60 Å²	60	22%	0.224	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-61.7	149.6	168.4	-68.3	-19.3	0	0	0	111.8	P210 G211 Q213 M216 P378	Y69-P210 HydrophobicContact CD1-CG 3.82Å; Y69-P210 HydrophobicContact CD2-CG 4.29Å; Y69-P210 HydrophobicContact CE1-CB 4.18Å; Y69-P210 HydrophobicContact CE1-CG 3.32Å; Y69-P210 HydrophobicContact CE2-CB 4.28Å; Y69-P210 HydrophobicContact CE2-CG 3.83Å; Y69-P210 HydrophobicContact CG-CG 4.3Å; Y69-G211 WeakPolarHBondContact CE1-O 3.22Å; Y69-G211 PolarHBondContact OH-O 3.21Å; Y69-G211 VanDerWaalsContact OH-O 3.07Å; Y69-Q213 HydrophobicContact CD1-CG 4.38Å; Y69-M216 HydrophobicContact CD1-CB 3.74Å; Y69-M216 HydrophobicContact CD1-CG 3.47Å; Y69-M216 VanDerWaalsContact CD1-CG 3.47Å; Y69-M216 HydrophobicContact CD2-CE 4.19Å; Y69-M216 HydrophobicContact CD2-CG 4.21Å; Y69-M216 HydrophobicContact CE1-CB 4.11Å; Y69-M216 HydrophobicContact CE1-CG 3.36Å; Y69-M216 HydrophobicContact CE2-CE 4.36Å; Y69-M216 HydrophobicContact CE2-CG 4.14Å; Y69-M216 HydrophobicContact CG-CB 4.11Å; Y69-M216 HydrophobicContact CG-CE 4.49Å; Y69-M216 HydrophobicContact CG-CG 3.9Å; Y69-P378 HydrophobicContact CE2-CG 4.39Å
70	P	98.5	Very high	96.9	Very high	25 Å²	25	59.9 Å²	59.9	16%	0.162	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-63.4	141.9	-179.4	30.4	-38.5	0	0	0	110.7	A58 L118 M216 A220	A58-P70 HydrophobicContact CB-CB 3.81Å; P70-L118 HydrophobicContact CB-CD1 4.01Å; P70-M216 HydrophobicContact CG-CB 4.32Å; P70-M216 WeakPolarHBondContact CG-O 3.49Å; P70-A220 HydrophobicContact CB-CB 4.24Å; P70-A220 HydrophobicContact CG-CB 3.74Å
71	E	98.4	Very high	96.8	Very high	74 Å²	74	61.3 Å²	61.3	35%	0.346	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-99.6	148.2	169.7	-69.7	-173.2	-173.5	0	0	110.5	A58 K59 L65	A58-E71 CarbonylContact C-O 3.57Å; A58-E71 WeakPolarHBondContact CA-O 3.45Å; A58-E71 VanDerWaalsContact CB-O 3.3Å; A58-E71 WeakPolarHBondContact CB-O 3.27Å; K59-E71 HydrophobicContact CB-CB 4.42Å; K59-E71 HydrophobicContact CD-CB 3.99Å; K59-E71 HydrophobicContact CG-CB 4.37Å; K59-E71 PolarHBondContact N-O 2.88Å; K59-E71 IonicContact NZ-OE2 2.66Å; K59-E71 PolarHBondContact NZ-OE2 2.98Å; L65-E71 HydrophobicContact CD2-CG 4.33Å; L65-E71 WeakPolarHBondContact CD2-OE1 3.46Å
72	P	98.1	Very high	96.8	Very high	85 Å²	85	61.1 Å²	61.1	55%	0.552	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-54.9	145.1	174.4	-24.6	34	0	0	0	112.4	K59	K59-P72 WeakPolarHBondContact CE-O 3.44Å; K59-P72 WeakPolarHBondContact CG-O 3.5Å
73	P	97.3	Very high	96.7	Very high	8 Å²	8	59.6 Å²	59.6	5%	0.052	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-69.1	150.6	-176.8	29.6	-30.6	0	0	0	110.7	Y34 P56 F57	Y34-P73 HydrophobicContact CD1-CG 3.71Å; Y34-P73 VanDerWaalsContact CD1-O 3.31Å; Y34-P73 WeakPolarHBondContact CD1-O 3.46Å; Y34-P73 HydrophobicContact CD2-CG 4.32Å; Y34-P73 HydrophobicContact CE1-CG 3.66Å; Y34-P73 VanDerWaalsContact CE1-O 3.26Å; Y34-P73 WeakPolarHBondContact CE1-O 3.24Å; Y34-P73 HydrophobicContact CE2-CG 4.29Å; Y34-P73 HydrophobicContact CG-CG 4.05Å; P56-P73 HydrophobicContact CB-CB 4.49Å; F57-P73 WeakPolarHBondContact O-CD 3.04Å
74	D	96.1	Very high	96.7	Very high	111 Å²	111	64.2 Å²	64.2	59%	0.594	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-69.4	136.2	172.9	-63.4	-49.4	0	0	0	109.9	K59	K59-D74 VanDerWaalsContact CE-OD1 3.26Å; K59-D74 WeakPolarHBondContact CE-OD1 3.33Å; K59-D74 IonicContact NZ-OD1 3.41Å
75	P	96.9	Very high	96.7	Very high	100 Å²	100	62.8 Å²	62.8	65%	0.649	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-60.5	143.2	173.4	-22.2	32.8	0	0	0	111.8	Y34	Y34-P75 HydrophobicContact CD1-CG 4.45Å; Y34-P75 CarbonylContact O-C 3.48Å; Y34-P75 WeakPolarHBondContact O-CA 3Å; Y34-P75 WeakPolarHBondContact O-CB 3.4Å
76	W	96.3	Very high	96.7	Very high	46 Å²	46	61.6 Å²	61.6	17%	0.174	34%	0.335	C	S	.	.			trans	-114.1	139.1	179.4	55.5	82.7	0	0	0	112.1	Y34 G35 A36 V37 I55 P56 L80	Y34-W76 HydrophobicContact CG-CZ3 4.43Å; Y34-W76 PolarHBondContact O-N 2.78Å; G35-W76 VanDerWaalsContact C-NE1 3.25Å; A36-W76 PolarHBondContact O-NE1 2.96Å; V37-W76 HydrophobicContact CG1-CZ2 3.65Å; I55-W76 HydrophobicContact CG2-CH2 4.31Å; P56-W76 HydrophobicContact CG-CE3 4.37Å; P56-W76 HydrophobicContact CG-CH2 3.98Å; P56-W76 HydrophobicContact CG-CZ3 3.66Å; W76-L80 HydrophobicContact CZ2-CD2 4.19Å
77	S	94.1	Very high	96.7	Very high	116 Å²	116	62.7 Å²	62.7	81%	0.811	34%	0.342	S	S	*	.	S	Bend	trans	-84.3	-37.8	-179.6	59.6	0	0	0	0	113.1
78	N	94.6	Very high	96.7	Very high	129 Å²	129	62.7 Å²	62.7	69%	0.69	34%	0.342	S	S	*	.	S	Bend	trans	-86.6	150.6	-178.8	-62.7	-26.7	0	0	0	110.5	L80	N78-L80 PolarHBondContact O-N 3.38Å; N78-L80 VanDerWaalsContact O-N 3.15Å
79	T	94.7	Very high	96.8	Very high	69 Å²	69	59.5 Å²	59.5	42%	0.423	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-62.1	119.4	174.5	-55.5	0	0	0	0	110.6	V29 A36	V29-T79 HydrophobicContact CG1-CG2 3.93Å; V29-T79 HydrophobicContact CG2-CG2 4.14Å; A36-T79 HydrophobicContact CB-CG2 4.19Å; A36-T79 WeakPolarHBondContact O-CA 3.49Å
80	L	96.5	Very high	96.8	Very high	53 Å²	53	57.9 Å²	57.9	28%	0.277	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	131.3	175.5	-179	76.9	0	0	0	110.1	A36 V37 S38 P56 W76 N78 A82	A36-L80 PolarHBondContact O-N 2.92Å; V37-L80 CarbonylContact C-O 3.57Å; V37-L80 WeakPolarHBondContact CA-O 3.26Å; V37-L80 HydrophobicContact CG1-CB 4.27Å; V37-L80 HydrophobicContact CG1-CD2 4.12Å; S38-L80 PolarHBondContact N-O 3.08Å; P56-L80 HydrophobicContact CG-CD2 4.19Å; W76-L80 HydrophobicContact CZ2-CD2 4.19Å; N78-L80 PolarHBondContact O-N 3.38Å; N78-L80 VanDerWaalsContact O-N 3.15Å; L80-A82 PolarHBondContact O-N 2.85Å
81	D	96.7	Very high	96.6	Very high	81 Å²	81	57.2 Å²	57.2	43%	0.433	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	99.4	172.5	178.8	16	0	0	0	110.5	T83	D81-T83 VanDerWaalsContact OD1-CB 3.27Å; D81-T83 WeakPolarHBondContact OD1-CB 3.31Å; D81-T83 VanDerWaalsContact OD1-CG2 3.23Å; D81-T83 WeakPolarHBondContact OD1-CG2 3.39Å; D81-T83 PolarHBondContact OD1-N 3.43Å; D81-T83 VanDerWaalsContact OD1-N 3.09Å; D81-T83 PolarHBondContact OD1-OG1 3.41Å
82	A	97.4	Very high	96.3	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	31%	0.312	C	S	.	.			trans	-102	40.1	175.6	0	0	0	0	0	111.2	V37 S38 F52 L53 I55 L80	V37-A82 HydrophobicContact CB-CB 4.34Å; S38-A82 CarbonylContact O-C 3.54Å; S38-A82 VanDerWaalsContact O-C 3.23Å; S38-A82 VanDerWaalsContact O-CA 3.26Å; S38-A82 WeakPolarHBondContact O-CA 3.35Å; S38-A82 WeakPolarHBondContact O-CB 3.3Å; S38-A82 PolarHBondContact O-N 3.45Å; F52-A82 CarbonylContact C-O 3.54Å; F52-A82 WeakPolarHBondContact CA-O 3.26Å; F52-A82 HydrophobicContact CB-CB 4.26Å; L53-A82 PolarHBondContact N-O 3.2Å; L53-A82 CarbonylContact O-C 3.3Å; L53-A82 WeakPolarHBondContact O-CA 3.44Å; L53-A82 WeakPolarHBondContact O-CB 3.15Å; I55-A82 HydrophobicContact CG1-CB 4.08Å; L80-A82 PolarHBondContact O-N 2.85Å
83	T	96.1	Very high	95.9	Very high	29 Å²	29	56.3 Å²	56.3	18%	0.178	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-98	-5.9	178.6	66.1	0	0	0	0	114.1	K40 D81	K40-T83 HydrophobicContact CB-CG2 4.16Å; D81-T83 VanDerWaalsContact OD1-CB 3.27Å; D81-T83 WeakPolarHBondContact OD1-CB 3.31Å; D81-T83 VanDerWaalsContact OD1-CG2 3.23Å; D81-T83 WeakPolarHBondContact OD1-CG2 3.39Å; D81-T83 PolarHBondContact OD1-N 3.43Å; D81-T83 VanDerWaalsContact OD1-N 3.09Å; D81-T83 PolarHBondContact OD1-OG1 3.41Å
84	K	95.4	Very high	95.3	Very high	139 Å²	139	57.1 Å²	57.1	60%	0.604	32%	0.319	S	S	*	.	S	Bend	trans	-124.1	142.3	-173.8	-63.7	175.3	-172.2	164.7	0	111.5	L53	L53-K84 CarbonylContact C-O 3.41Å; L53-K84 VanDerWaalsContact C-O 3.28Å; L53-K84 VanDerWaalsContact CB-O 3.31Å; L53-K84 WeakPolarHBondContact CB-O 3.19Å
85	P	96.1	Very high	94.6	Very high	68 Å²	68	55.8 Å²	55.8	44%	0.442	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-56	142.2	174.6	-25.4	34.8	0	0	0	112.8	L53 T111	L53-P85 HydrophobicContact CD1-CG 4.16Å; P85-T111 HydrophobicContact CB-CG2 3.7Å
86	P	97.1	Very high	93.9	Very high	10 Å²	10	55.1 Å²	55.1	7%	0.065	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-71.9	168.3	179	28.7	-34.8	0	0	0	112.6	T111 Y119 N121 S172 Q193	P86-T111 VanDerWaalsContact O-CB 3.28Å; P86-T111 WeakPolarHBondContact O-CB 3.5Å; P86-T111 WeakPolarHBondContact O-CG2 3.35Å; P86-T111 PolarHBondContact O-OG1 2.84Å; P86-Y119 VanDerWaalsContact CB-CB 3.43Å; P86-Y119 HydrophobicContact CB-CD1 4.39Å; P86-Y119 HydrophobicContact CB-CD2 3.75Å; P86-Y119 HydrophobicContact CB-CG 3.61Å; P86-N121 WeakPolarHBondContact CD-OD1 3.45Å; P86-S172 WeakPolarHBondContact CD-OG 3.2Å; P86-Q193 HydrophobicContact CG-CG 4.34Å
87	N	97.9	Very high	93	Very high	45 Å²	45	54 Å²	54	24%	0.241	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-56.1	147.3	166.6	-64.1	-28.9	0	0	0	110.8	K112 D116 Q193	N87-K112 CarbonylContact C-O 3.57Å; N87-K112 VanDerWaalsContact CA-O 3.29Å; N87-K112 WeakPolarHBondContact CA-O 3.45Å; N87-K112 WeakPolarHBondContact CB-O 3.22Å; N87-D116 WeakPolarHBondContact CB-O 3.27Å; N87-D116 PolarHBondContact ND2-O 2.92Å; N87-D116 VanDerWaalsContact ND2-O 3.15Å; N87-Q193 PolarHBondContact O-NE2 3.08Å
88	T	97.9	Very high	92.4	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	142.3	171	-68.6	0	0	0	0	109.3	N109 T111 K112 M113 S114 S170	T88-N109 HydrophobicContact CG2-CB 3.88Å; T88-T111 PolarHBondContact N-OG1 3.33Å; T88-T111 VanDerWaalsContact N-OG1 3.16Å; T88-T111 PolarHBondContact OG1-OG1 3.35Å; T88-K112 PolarHBondContact N-O 3.47Å; T88-M113 HydrophobicContact CG2-CG 4.38Å; T88-M113 CarbonylContact O-C 3.48Å; T88-M113 VanDerWaalsContact O-CA 3.24Å; T88-M113 WeakPolarHBondContact O-CA 3.37Å; T88-S114 PolarHBondContact O-N 3.31Å; T88-S170 WeakPolarHBondContact OG1-CB 3.44Å; T88-S170 PolarHBondContact OG1-OG 2.83Å
89	C	98.4	Very high	92.1	Very high	4 Å²	4	49 Å²	49	3%	0.027	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	145.6	175.2	-62.6	0	0	0	0	111.2	Q91 S114 C117 Y194	C89-Q91 PolarHBondContact O-N 3.41Å; C89-Q91 PolarHBondContact O-NE2 2.97Å; C89-S114 WeakPolarHBondContact CA-O 3.29Å; C89-C117 WeakPolarHBondContact CA-SG 3.2Å; C89-C117 HydrophobicContact CB-CB 3.84Å; C89-C117 WeakPolarHBondContact CB-SG 3.32Å; C89-C117 WeakPolarHBondContact SG-CB 3.37Å; C89-C117 CovalentContact SG-SG 2.04Å; C89-C117 PolarHBondContact SG-SG 3.32Å; C89-Y194 PolarHBondContact SG-O 2.95Å
90	M	97.9	Very high	91.5	Very high	24 Å²	24	50.9 Å²	50.9	12%	0.118	27%	0.269	C	S	.	.	S	Bend	trans	-50.4	127.5	177.7	-65.2	-57.8	-70.4	0	0	111.4	M113 S114 E115 L199 S322 E323 V326	M90-M113 HydrophobicContact SD-CB 3.86Å; M90-S114 PolarHBondContact N-O 2.91Å; M90-E115 HydrophobicContact CG-CG 3.8Å; M90-L199 HydrophobicContact CB-CD1 3.59Å; M90-L199 HydrophobicContact CG-CD1 4.13Å; M90-S322 WeakPolarHBondContact CE-OG 3.28Å; M90-E323 HydrophobicContact CE-CB 4.28Å; M90-V326 HydrophobicContact CB-CG2 4.24Å
91	Q	95.6	Very high	91.1	Very high	11 Å²	11	49.7 Å²	49.7	5%	0.051	26%	0.263	C	S	.	.			trans	-158.2	166.6	-177.3	62.7	-167.5	-98.8	0	0	109.4	C89 M113 I167 R168 G169 L196	C89-Q91 PolarHBondContact O-N 3.41Å; C89-Q91 PolarHBondContact O-NE2 2.97Å; Q91-M113 HydrophobicContact CG-SD 3.56Å; Q91-M113 VanDerWaalsContact CG-SD 3.56Å; Q91-M113 VanDerWaalsContact O-SD 3.39Å; Q91-I167 VanDerWaalsContact CB-O 3.28Å; Q91-I167 WeakPolarHBondContact CB-O 3.44Å; Q91-R168 HydrophobicContact CB-CB 4.29Å; Q91-R168 VanDerWaalsContact OE1-CA 3.29Å; Q91-R168 VanDerWaalsContact OE1-CB 3.3Å; Q91-G169 PolarHBondContact NE2-O 3.12Å; Q91-L196 HydrophobicContact CB-CD1 4.42Å
92	P	91.2	Very high	90.9	Very high	25 Å²	25	46.3 Å²	46.3	16%	0.162	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-58.5	142.7	-179.3	-25.8	36.2	0	0	0	111.5	I167 V326 W330	P92-I167 VanDerWaalsContact CD-O 3.27Å; P92-I167 WeakPolarHBondContact CD-O 3.28Å; P92-V326 HydrophobicContact CB-CG1 4.33Å; P92-V326 VanDerWaalsContact CD-CG1 3.49Å; P92-V326 HydrophobicContact CG-CG1 3.72Å; P92-W330 VanDerWaalsContact CG-NE1 3.31Å
93	L	89.1	Confident	90.6	Very high	115 Å²	115	46.3 Å²	46.3	60%	0.602	25%	0.247	S	C	*	.	P	Polyproline II helix	trans	-62.2	139.5	171.7	-73.1	168.7	0	0	0	109.7	M113	L93-M113 HydrophobicContact CD2-CE 3.36Å; L93-M113 HydrophobicContact CG-CE 4.09Å
94	P	85.7	Confident	90.3	Very high	25 Å²	25	45.7 Å²	45.7	16%	0.162	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-61	148.4	172.9	-19.5	30.9	0	0	0	111.4	E98 F99 L108	P94-E98 WeakPolarHBondContact CA-OE2 3.5Å; P94-F99 HydrophobicContact CB-CE2 3.69Å; P94-F99 HydrophobicContact CB-CZ 3.76Å; P94-F99 HydrophobicContact CG-CE2 4.4Å; P94-F99 HydrophobicContact CG-CZ 3.99Å; P94-L108 HydrophobicContact CB-CD1 4.23Å; P94-L108 HydrophobicContact CB-CD2 3.58Å; P94-L108 HydrophobicContact CB-CG 4.46Å; P94-L108 HydrophobicContact CG-CD2 3.79Å
95	E	82.1	Confident	90.1	Very high	82 Å²	82	43 Å²	43	38%	0.383	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-79	154.7	176.5	-64.5	-176.3	-148.4	0	0	111.9	Q97 E98 F99 R417	E95-Q97 PolarHBondContact O-N 3.38Å; E95-Q97 VanDerWaalsContact O-N 3.12Å; E95-E98 HydrophobicContact CB-CG 4.49Å; E95-E98 PolarHBondContact N-OE2 2.87Å; E95-E98 WeakPolarHBondContact O-CB 3.49Å; E95-E98 PolarHBondContact O-N 3Å; E95-F99 VanDerWaalsContact O-CD2 3.29Å; E95-F99 WeakPolarHBondContact O-CD2 3.42Å; E95-R417 IonicContact OE1-CZ 3.85Å; E95-R417 IonicContact OE1-NH1 3.68Å; E95-R417 PolarHBondContact OE1-NH1 3.41Å; E95-R417 IonicContact OE2-CZ 3.85Å; E95-R417 IonicContact OE2-NH1 2.66Å; E95-R417 PolarHBondContact OE2-NH1 3.22Å; E95-R417 IonicContact OE2-NH2 2.75Å; E95-R417 PolarHBondContact OE2-NH2 3.21Å
96	S	80.7	Confident	90	Very high	87 Å²	87	39.7 Å²	39.7	61%	0.608	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-53.8	-36.8	-179.1	59.7	0	0	0	0	113.3	E98 F99	S96-E98 VanDerWaalsContact C-N 3.33Å; S96-E98 PolarHBondContact O-N 3.31Å; S96-F99 PolarHBondContact O-N 3.41Å
97	Q	77.3	Confident	89.7	Confident	22 Å²	22	41.4 Å²	41.4	10%	0.103	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-64.1	-33.5	176.8	-86.4	113.2	67.9	0	0	113.7	E95 F99 L100	E95-Q97 PolarHBondContact O-N 3.38Å; E95-Q97 VanDerWaalsContact O-N 3.12Å; Q97-F99 PolarHBondContact O-N 2.78Å; Q97-L100 HydrophobicContact CB-CD1 4.39Å; Q97-L100 HydrophobicContact CG-CD1 4.07Å; Q97-L100 WeakPolarHBondContact O-CB 3.32Å; Q97-L100 PolarHBondContact O-N 3.19Å; Q97-L100 VanDerWaalsContact O-N 3.07Å
98	E	83.2	Confident	89.4	Confident	30 Å²	30	39.8 Å²	39.8	14%	0.14	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-66.9	-23.4	-177.9	-63.8	179.8	91.2	0	0	111.8	P94 E95 S96 T104 R105 L108 R168	P94-E98 WeakPolarHBondContact CA-OE2 3.5Å; E95-E98 HydrophobicContact CB-CG 4.49Å; E95-E98 PolarHBondContact N-OE2 2.87Å; E95-E98 WeakPolarHBondContact O-CB 3.49Å; E95-E98 PolarHBondContact O-N 3Å; S96-E98 VanDerWaalsContact C-N 3.33Å; S96-E98 PolarHBondContact O-N 3.31Å; E98-T104 WeakPolarHBondContact O-CB 3.5Å; E98-T104 PolarHBondContact O-OG1 3.14Å; E98-R105 WeakPolarHBondContact O-CG 3.42Å; E98-R105 PolarHBondContact O-N 3.02Å; E98-L108 HydrophobicContact CB-CD1 4.28Å; E98-L108 HydrophobicContact CB-CD2 3.98Å; E98-R168 IonicContact OE1-CZ 2.75Å; E98-R168 VanDerWaalsContact OE1-CZ 3.26Å; E98-R168 IonicContact OE1-NH1 3.47Å; E98-R168 PolarHBondContact OE1-NH1 2.89Å; E98-R168 IonicContact OE1-NH2 2.68Å; E98-R168 PolarHBondContact OE1-NH2 2.73Å; E98-R168 IonicContact OE2-NH1 3.96Å
99	F	87.1	Confident	89.1	Confident	109 Å²	109	41.4 Å²	41.4	48%	0.478	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-78.3	-19.2	175	-64.9	-80.7	0	0	0	113.8	P94 E95 S96 Q97 D101 R105 L108	P94-F99 HydrophobicContact CB-CE2 3.69Å; P94-F99 HydrophobicContact CB-CZ 3.76Å; P94-F99 HydrophobicContact CG-CE2 4.4Å; P94-F99 HydrophobicContact CG-CZ 3.99Å; E95-F99 VanDerWaalsContact O-CD2 3.29Å; E95-F99 WeakPolarHBondContact O-CD2 3.42Å; S96-F99 PolarHBondContact O-N 3.41Å; Q97-F99 PolarHBondContact O-N 2.78Å; F99-D101 VanDerWaalsContact C-N 3.32Å; F99-D101 PolarHBondContact O-N 3.01Å; F99-R105 WeakPolarHBondContact O-CD 3.32Å; F99-R105 WeakPolarHBondContact O-CG 3.43Å; F99-R105 PolarHBondContact O-NH1 3.37Å; F99-L108 HydrophobicContact CD1-CD1 3.56Å; F99-L108 HydrophobicContact CE1-CD1 3.54Å; F99-L108 HydrophobicContact CG-CD1 4.07Å; F99-L108 HydrophobicContact CZ-CD1 4.04Å
100	L	82.3	Confident	88.5	Confident	110 Å²	110	45.3 Å²	45.3	58%	0.576	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-32.1	-170.1	-64.9	176.1	0	0	0	112.7	Q97 R105	Q97-L100 HydrophobicContact CB-CD1 4.39Å; Q97-L100 HydrophobicContact CG-CD1 4.07Å; Q97-L100 WeakPolarHBondContact O-CB 3.32Å; Q97-L100 PolarHBondContact O-N 3.19Å; Q97-L100 VanDerWaalsContact O-N 3.07Å; L100-R105 VanDerWaalsContact C-NH1 3.28Å; L100-R105 PolarHBondContact O-NH1 2.84Å; L100-R105 VanDerWaalsContact O-NH1 3.12Å
101	D	88.9	Confident	88.4	Confident	27 Å²	27	45.3 Å²	45.3	14%	0.144	24%	0.237	C	C	.	.	S	Bend	trans	-129.7	144.1	-170.2	-177.1	-80.2	0	0	0	112	F99 T103 T104 R105 W426 T530	F99-D101 VanDerWaalsContact C-N 3.32Å; F99-D101 PolarHBondContact O-N 3.01Å; D101-T103 PolarHBondContact O-N 3.5Å; D101-T103 WeakPolarHBondContact OD1-CA 3.5Å; D101-T103 WeakPolarHBondContact OD1-CB 3.32Å; D101-T103 PolarHBondContact OD1-N 3.38Å; D101-T103 PolarHBondContact OD1-OG1 3.07Å; D101-T103 VanDerWaalsContact OD1-OG1 3.12Å; D101-T104 PolarHBondContact O-N 3.37Å; D101-T104 PolarHBondContact O-OG1 3.34Å; D101-T104 VanDerWaalsContact O-OG1 3.06Å; D101-R105 VanDerWaalsContact C-NH1 3.28Å; D101-R105 WeakPolarHBondContact O-CB 3.37Å; D101-R105 VanDerWaalsContact O-CG 3.29Å; D101-R105 WeakPolarHBondContact O-CG 3.21Å; D101-R105 PolarHBondContact O-N 2.78Å; D101-W426 HydrophobicContact CB-CE3 4.06Å; D101-W426 HydrophobicContact CB-CH2 3.04Å; D101-W426 HydrophobicContact CB-CZ2 3.65Å; D101-W426 HydrophobicContact CB-CZ3 3.25Å; D101-W426 WeakPolarHBondContact OD1-CH2 3.47Å; D101-W426 WeakPolarHBondContact OD1-CZ2 3.32Å; D101-T530 PolarHBondContact OD1-OG1 2.81Å; D101-T530 WeakPolarHBondContact OD2-CB 3.29Å; D101-T530 PolarHBondContact OD2-OG1 3.08Å
102	A	90.9	Very high	88.4	Confident	11 Å²	11	52.3 Å²	52.3	9%	0.091	27%	0.268	C	S	.	.	H	α-helix	trans	-57.1	-36.2	-178	0	0	0	0	0	113.4	T104 R105 V106 Y559 Y560	A102-T104 VanDerWaalsContact C-N 3.34Å; A102-T104 PolarHBondContact O-N 2.66Å; A102-R105 PolarHBondContact O-N 3.21Å; A102-V106 PolarHBondContact O-N 2.87Å; A102-V106 VanDerWaalsContact O-N 3.13Å; A102-Y559 WeakPolarHBondContact CB-O 3.49Å; A102-Y560 HydrophobicContact CB-CD1 4.22Å
103	T	91.1	Very high	88.7	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-74.1	-25.5	-172.8	-50	0	0	0	0	112.8	D101 V106 L529 T530 W531 Y541 Y560	D101-T103 PolarHBondContact O-N 3.5Å; D101-T103 WeakPolarHBondContact OD1-CA 3.5Å; D101-T103 WeakPolarHBondContact OD1-CB 3.32Å; D101-T103 PolarHBondContact OD1-N 3.38Å; D101-T103 PolarHBondContact OD1-OG1 3.07Å; D101-T103 VanDerWaalsContact OD1-OG1 3.12Å; T103-V106 WeakPolarHBondContact O-CG1 3.45Å; T103-L529 HydrophobicContact CG2-CB 4.42Å; T103-L529 HydrophobicContact CG2-CD2 3.33Å; T103-L529 HydrophobicContact CG2-CG 4.42Å; T103-T530 PolarHBondContact OG1-N 2.79Å; T103-T530 PolarHBondContact OG1-OG1 3.27Å; T103-W531 HydrophobicContact CG2-CG 4.14Å; T103-Y541 HydrophobicContact CG2-CE1 4Å; T103-Y541 VanDerWaalsContact CG2-OH 3.23Å; T103-Y541 WeakPolarHBondContact CG2-OH 3.49Å; T103-Y541 PolarHBondContact O-OH 3.22Å; T103-Y560 HydrophobicContact CG2-CE1 4.42Å
104	T	89.7	Confident	89.1	Confident	15 Å²	15	49 Å²	49	9%	0.092	25%	0.251	C	S	.	.	H	α-helix	trans	-90.2	-38.7	168.2	48.5	0	0	0	0	111.8	E98 D101 A102 V106 W107 W426 W531	E98-T104 WeakPolarHBondContact O-CB 3.5Å; E98-T104 PolarHBondContact O-OG1 3.14Å; D101-T104 PolarHBondContact O-N 3.37Å; D101-T104 PolarHBondContact O-OG1 3.34Å; D101-T104 VanDerWaalsContact O-OG1 3.06Å; A102-T104 VanDerWaalsContact C-N 3.34Å; A102-T104 PolarHBondContact O-N 2.66Å; T104-V106 PolarHBondContact O-N 3.15Å; T104-V106 VanDerWaalsContact O-N 3.14Å; T104-W107 PolarHBondContact O-N 2.94Å; T104-W107 VanDerWaalsContact O-N 3.15Å; T104-W426 HydrophobicContact CG2-CH2 3.57Å; T104-W426 HydrophobicContact CG2-CZ3 4.2Å; T104-W531 HydrophobicContact CG2-CH2 4Å; T104-W531 HydrophobicContact CG2-CZ2 3.66Å
105	R	92.2	Very high	89.7	Confident	82 Å²	82	49 Å²	49	31%	0.309	25%	0.249	S	C	.	.	H	α-helix	trans	-55.8	-31.7	179.1	-83.1	-162.9	-53.7	-87.5	1.8	113.7	E98 F99 L100 D101 A102 W107 L108 Y559	E98-R105 WeakPolarHBondContact O-CG 3.42Å; E98-R105 PolarHBondContact O-N 3.02Å; F99-R105 WeakPolarHBondContact O-CD 3.32Å; F99-R105 WeakPolarHBondContact O-CG 3.43Å; F99-R105 PolarHBondContact O-NH1 3.37Å; L100-R105 VanDerWaalsContact C-NH1 3.28Å; L100-R105 PolarHBondContact O-NH1 2.84Å; L100-R105 VanDerWaalsContact O-NH1 3.12Å; D101-R105 VanDerWaalsContact C-NH1 3.28Å; D101-R105 WeakPolarHBondContact O-CB 3.37Å; D101-R105 VanDerWaalsContact O-CG 3.29Å; D101-R105 WeakPolarHBondContact O-CG 3.21Å; D101-R105 PolarHBondContact O-N 2.78Å; A102-R105 PolarHBondContact O-N 3.21Å; R105-W107 PolarHBondContact O-N 2.85Å; R105-W107 VanDerWaalsContact O-N 3.14Å; R105-L108 HydrophobicContact CG-CD1 4.26Å; R105-L108 WeakPolarHBondContact O-CB 3.4Å; R105-L108 PolarHBondContact O-N 2.86Å; R105-L108 VanDerWaalsContact O-N 3.08Å; R105-Y559 HydrophobicContact CB-CD1 4.44Å; R105-Y559 HydrophobicContact CB-CE1 4.27Å
106	V	93.2	Very high	90.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-23.7	-178.9	75.4	0	0	0	0	113.7	A102 T103 T104 M175 F555 Y559	A102-V106 PolarHBondContact O-N 2.87Å; A102-V106 VanDerWaalsContact O-N 3.13Å; T103-V106 WeakPolarHBondContact O-CG1 3.45Å; T104-V106 PolarHBondContact O-N 3.15Å; T104-V106 VanDerWaalsContact O-N 3.14Å; V106-M175 HydrophobicContact CG1-CE 4.18Å; V106-M175 HydrophobicContact CG2-CB 4.25Å; V106-M175 HydrophobicContact CG2-CE 3.69Å; V106-F555 HydrophobicContact CG2-CD2 4.46Å; V106-F555 HydrophobicContact CG2-CE2 3.41Å; V106-F555 VanDerWaalsContact CG2-CE2 3.41Å; V106-F555 HydrophobicContact CG2-CZ 3.67Å; V106-Y559 HydrophobicContact CB-CD1 3.81Å; V106-Y559 HydrophobicContact CB-CE1 4.02Å; V106-Y559 HydrophobicContact CB-CG 4.22Å; V106-Y559 HydrophobicContact CG2-CD1 4.11Å; V106-Y559 HydrophobicContact CG2-CD2 4.22Å; V106-Y559 HydrophobicContact CG2-CE1 4.26Å; V106-Y559 HydrophobicContact CG2-CE2 4.37Å; V106-Y559 HydrophobicContact CG2-CG 4.09Å
107	W	91.9	Very high	91.4	Very high	46 Å²	46	43.2 Å²	43.2	17%	0.174	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-1.1	-179.8	-57	111.2	0	0	0	114	T104 R105 I173 M175 Y176 G540 Y541	T104-W107 PolarHBondContact O-N 2.94Å; T104-W107 VanDerWaalsContact O-N 3.15Å; R105-W107 PolarHBondContact O-N 2.85Å; R105-W107 VanDerWaalsContact O-N 3.14Å; W107-I173 HydrophobicContact CE3-CD1 3.98Å; W107-I173 HydrophobicContact CZ3-CD1 4.38Å; W107-M175 HydrophobicContact CH2-CE 4.13Å; W107-M175 HydrophobicContact CH2-CG 4.35Å; W107-M175 HydrophobicContact CZ2-CE 4.21Å; W107-M175 HydrophobicContact CZ3-CG 4.19Å; W107-Y176 HydrophobicContact CZ3-CE1 4.16Å; W107-Y176 WeakPolarHBondContact CZ3-OH 3.5Å; W107-G540 WeakPolarHBondContact CH2-O 3.14Å; W107-Y541 HydrophobicContact CZ2-CE1 4.26Å; W107-Y541 HydrophobicContact CZ2-CE2 4.34Å; W107-Y541 AromaticContact NE1-CZ 3.72Å; W107-Y541 PolarHBondContact NE1-OH 2.85Å
108	L	91.9	Very high	92.4	Very high	10 Å²	10	42.2 Å²	42.2	5%	0.052	21%	0.209	C	C	.	.	S	Bend	trans	-81.4	146.6	-176.2	-58.5	-173	0	0	0	111.6	P94 E98 F99 R105 T110 I173	P94-L108 HydrophobicContact CB-CD1 4.23Å; P94-L108 HydrophobicContact CB-CD2 3.58Å; P94-L108 HydrophobicContact CB-CG 4.46Å; P94-L108 HydrophobicContact CG-CD2 3.79Å; E98-L108 HydrophobicContact CB-CD1 4.28Å; E98-L108 HydrophobicContact CB-CD2 3.98Å; F99-L108 HydrophobicContact CD1-CD1 3.56Å; F99-L108 HydrophobicContact CE1-CD1 3.54Å; F99-L108 HydrophobicContact CG-CD1 4.07Å; F99-L108 HydrophobicContact CZ-CD1 4.04Å; R105-L108 HydrophobicContact CG-CD1 4.26Å; R105-L108 WeakPolarHBondContact O-CB 3.4Å; R105-L108 PolarHBondContact O-N 2.86Å; R105-L108 VanDerWaalsContact O-N 3.08Å; L108-T110 PolarHBondContact O-N 2.77Å; L108-I173 WeakPolarHBondContact O-CG2 3.48Å
109	N	91.3	Very high	93.1	Very high	35 Å²	35	42.9 Å²	42.9	19%	0.187	21%	0.211	C	C	.	.			trans	-65.9	133.4	171.3	66.3	-67.9	0	0	0	109.7	T88 T111	T88-N109 HydrophobicContact CG2-CB 3.88Å; N109-T111 PolarHBondContact ND2-O 2.88Å; N109-T111 VanDerWaalsContact ND2-O 3.1Å
110	T	86.4	Confident	93.7	Very high	86 Å²	86	37.7 Å²	37.7	53%	0.528	19%	0.188	S	C	.	.			trans	-102.2	-3.6	-180	53.6	0	0	0	0	112.6	L108	L108-T110 PolarHBondContact O-N 2.77Å
111	T	95.1	Very high	94.5	Very high	23 Å²	23	32.5 Å²	32.5	14%	0.141	16%	0.161	C	C	.	.	S	Bend	trans	-120.2	159.3	-176.4	71	0	0	0	0	111.7	P85 P86 T88 N109 M113	P85-T111 HydrophobicContact CB-CG2 3.7Å; P86-T111 VanDerWaalsContact O-CB 3.28Å; P86-T111 WeakPolarHBondContact O-CB 3.5Å; P86-T111 WeakPolarHBondContact O-CG2 3.35Å; P86-T111 PolarHBondContact O-OG1 2.84Å; T88-T111 PolarHBondContact N-OG1 3.33Å; T88-T111 VanDerWaalsContact N-OG1 3.16Å; T88-T111 PolarHBondContact OG1-OG1 3.35Å; N109-T111 PolarHBondContact ND2-O 2.88Å; N109-T111 VanDerWaalsContact ND2-O 3.1Å; T111-M113 PolarHBondContact O-N 2.68Å
112	K	96	Very high	94.9	Very high	158 Å²	158	31.2 Å²	31.2	69%	0.687	15%	0.154	S	C	*	.			trans	-53.7	137.7	176.1	-179	-178.3	176.7	-174.8	0	110.2	N87 T88	N87-K112 CarbonylContact C-O 3.57Å; N87-K112 VanDerWaalsContact CA-O 3.29Å; N87-K112 WeakPolarHBondContact CA-O 3.45Å; N87-K112 WeakPolarHBondContact CB-O 3.22Å; T88-K112 PolarHBondContact N-O 3.47Å
113	M	96.8	Very high	95.3	Very high	39 Å²	39	31.2 Å²	31.2	19%	0.192	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	136.7	171.6	-66.1	-172.8	-67.2	0	0	111.2	T88 M90 Q91 L93 T111	T88-M113 HydrophobicContact CG2-CG 4.38Å; T88-M113 CarbonylContact O-C 3.48Å; T88-M113 VanDerWaalsContact O-CA 3.24Å; T88-M113 WeakPolarHBondContact O-CA 3.37Å; M90-M113 HydrophobicContact SD-CB 3.86Å; Q91-M113 HydrophobicContact CG-SD 3.56Å; Q91-M113 VanDerWaalsContact CG-SD 3.56Å; Q91-M113 VanDerWaalsContact O-SD 3.39Å; L93-M113 HydrophobicContact CD2-CE 3.36Å; L93-M113 HydrophobicContact CG-CE 4.09Å; T111-M113 PolarHBondContact O-N 2.68Å
114	S	98	Very high	95.5	Very high	32 Å²	32	31.2 Å²	31.2	22%	0.224	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	158.5	175.8	-168.1	0	0	0	0	110.2	T88 C89 M90 D116 C117	T88-S114 PolarHBondContact O-N 3.31Å; C89-S114 WeakPolarHBondContact CA-O 3.29Å; M90-S114 PolarHBondContact N-O 2.91Å; S114-D116 VanDerWaalsContact C-N 3.31Å; S114-D116 PolarHBondContact OG-N 2.86Å; S114-C117 WeakPolarHBondContact O-CB 3.4Å
115	E	98.6	Very high	95.6	Very high	26 Å²	26	32.4 Å²	32.4	12%	0.121	15%	0.154	C	C	.	.	S	Bend	trans	-72.6	-28	165.6	-69.7	-169.1	102.7	0	0	112.3	P61 T62 R66 M90 C117 L199	P61-E115 VanDerWaalsContact CD-O 3.26Å; P61-E115 WeakPolarHBondContact CD-O 3.2Å; P61-E115 WeakPolarHBondContact CG-O 3.36Å; T62-E115 HydrophobicContact CG2-CB 3.68Å; R66-E115 WeakPolarHBondContact CD-OE1 3.36Å; R66-E115 IonicContact CZ-OE1 3.21Å; R66-E115 IonicContact CZ-OE2 2.91Å; R66-E115 IonicContact NE-OE1 3Å; R66-E115 PolarHBondContact NE-OE1 3.36Å; R66-E115 IonicContact NE-OE2 3.07Å; R66-E115 PolarHBondContact NE-OE2 3.08Å; R66-E115 VanDerWaalsContact NH2-CD 3.31Å; R66-E115 IonicContact NH2-OE1 3.67Å; R66-E115 PolarHBondContact NH2-OE1 2.92Å; R66-E115 IonicContact NH2-OE2 3.07Å; R66-E115 PolarHBondContact NH2-OE2 3.25Å; M90-E115 HydrophobicContact CG-CG 3.8Å; E115-C117 PolarHBondContact O-N 3.43Å; E115-L199 HydrophobicContact CG-CD1 4.3Å
116	D	98.4	Very high	95.4	Very high	45 Å²	45	28.5 Å²	28.5	24%	0.241	14%	0.14	C	C	.	.			trans	-73.1	83	166.3	179.6	17	0	0	0	109	P60 N87 S114 Y119	P60-D116 HydrophobicContact CB-CB 3.99Å; P60-D116 HydrophobicContact CG-CB 4.4Å; N87-D116 WeakPolarHBondContact CB-O 3.27Å; N87-D116 PolarHBondContact ND2-O 2.92Å; N87-D116 VanDerWaalsContact ND2-O 3.15Å; S114-D116 VanDerWaalsContact C-N 3.31Å; S114-D116 PolarHBondContact OG-N 2.86Å; D116-Y119 VanDerWaalsContact CG-OH 3.27Å; D116-Y119 VanDerWaalsContact OD1-CE2 3.25Å; D116-Y119 WeakPolarHBondContact OD1-CE2 3.43Å; D116-Y119 PolarHBondContact OD1-OH 3.38Å; D116-Y119 PolarHBondContact OD2-OH 3.46Å; D116-Y119 VanDerWaalsContact OD2-OH 3.06Å
117	C	98.7	Very high	94.8	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.007	15%	0.152	C	C	.	.			trans	-135.7	1.5	-173.3	71.1	0	0	0	0	114.8	C89 S114 E115 Y119 Q193	C89-C117 WeakPolarHBondContact CA-SG 3.2Å; C89-C117 HydrophobicContact CB-CB 3.84Å; C89-C117 WeakPolarHBondContact CB-SG 3.32Å; C89-C117 WeakPolarHBondContact SG-CB 3.37Å; C89-C117 CovalentContact SG-SG 2.04Å; C89-C117 PolarHBondContact SG-SG 3.32Å; S114-C117 WeakPolarHBondContact O-CB 3.4Å; E115-C117 PolarHBondContact O-N 3.43Å; C117-Y119 VanDerWaalsContact C-N 3.26Å; C117-Y119 PolarHBondContact O-N 2.92Å; C117-Q193 WeakPolarHBondContact O-CB 2.91Å; C117-Q193 WeakPolarHBondContact O-CG 3.14Å
118	L	98.8	Very high	93.7	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	16%	0.159	C	C	.	.			trans	-80.1	70.2	-175.5	-60.4	-173.4	0	0	0	112.8	F57 A58 P61 P70 R195 D217	F57-L118 WeakPolarHBondContact CD1-O 3.34Å; F57-L118 HydrophobicContact CE1-CB 4.21Å; F57-L118 HydrophobicContact CE2-CB 4.09Å; F57-L118 HydrophobicContact CZ-CB 3.81Å; F57-L118 HydrophobicContact CZ-CD2 4.05Å; F57-L118 HydrophobicContact CZ-CG 4.45Å; F57-L118 PolarHBondContact N-O 2.89Å; F57-L118 VanDerWaalsContact N-O 3.17Å; A58-L118 HydrophobicContact CB-CB 3.96Å; A58-L118 HydrophobicContact CB-CD1 3.65Å; A58-L118 HydrophobicContact CB-CG 4.47Å; P61-L118 HydrophobicContact CB-CD1 4.27Å; P61-L118 HydrophobicContact CG-CD1 3.85Å; P61-L118 HydrophobicContact CG-CG 3.98Å; P70-L118 HydrophobicContact CB-CD1 4.01Å; L118-R195 HydrophobicContact CD2-CG 4.25Å; L118-D217 HydrophobicContact CD2-CB 3.97Å; L118-D217 WeakPolarHBondContact CD2-OD2 3.37Å
119	Y	98.7	Very high	92.4	Very high	44 Å²	44	37 Å²	37	17%	0.173	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	156	-178.4	-60.1	-91.6	0	0	0	112.1	G54 I55 P56 F57 P86 D116 C117 Q193	G54-Y119 VanDerWaalsContact O-CD1 3.32Å; G54-Y119 WeakPolarHBondContact O-CD1 3.48Å; I55-Y119 CarbonylContact O-C 3.58Å; I55-Y119 VanDerWaalsContact O-CA 3.27Å; I55-Y119 WeakPolarHBondContact O-CA 3.1Å; P56-Y119 HydrophobicContact CB-CD1 3.94Å; P56-Y119 HydrophobicContact CB-CE1 3.76Å; P56-Y119 HydrophobicContact CG-CE1 4.3Å; F57-Y119 VanDerWaalsContact CD1-C 3.5Å; F57-Y119 WeakPolarHBondContact CE1-O 3.21Å; P86-Y119 VanDerWaalsContact CB-CB 3.43Å; P86-Y119 HydrophobicContact CB-CD1 4.39Å; P86-Y119 HydrophobicContact CB-CD2 3.75Å; P86-Y119 HydrophobicContact CB-CG 3.61Å; D116-Y119 VanDerWaalsContact CG-OH 3.27Å; D116-Y119 VanDerWaalsContact OD1-CE2 3.25Å; D116-Y119 WeakPolarHBondContact OD1-CE2 3.43Å; D116-Y119 PolarHBondContact OD1-OH 3.38Å; D116-Y119 PolarHBondContact OD2-OH 3.46Å; D116-Y119 VanDerWaalsContact OD2-OH 3.06Å; C117-Y119 VanDerWaalsContact C-N 3.26Å; C117-Y119 PolarHBondContact O-N 2.92Å; Y119-Q193 WeakPolarHBondContact O-CB 3.4Å; Y119-Q193 WeakPolarHBondContact O-CG 3.46Å; Y119-Q193 PolarHBondContact O-N 2.88Å
120	L	98.7	Very high	90.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	159.1	170.5	60.2	80.9	0	0	0	111.8	G54 I55 F57 I122 V190 S191 I192 W224 V225	G54-L120 PolarHBondContact N-O 3.3Å; I55-L120 HydrophobicContact CB-CD1 3.96Å; I55-L120 HydrophobicContact CB-CG 4.46Å; I55-L120 HydrophobicContact CD1-CD1 4.18Å; I55-L120 HydrophobicContact CG1-CD1 4.48Å; I55-L120 PolarHBondContact N-O 2.58Å; I55-L120 PolarHBondContact O-N 3.37Å; F57-L120 HydrophobicContact CB-CD2 3.82Å; F57-L120 HydrophobicContact CB-CG 4.45Å; F57-L120 HydrophobicContact CD1-CB 4.1Å; F57-L120 HydrophobicContact CD1-CD2 4.07Å; F57-L120 HydrophobicContact CD1-CG 4.2Å; F57-L120 HydrophobicContact CG-CD2 4.28Å; L120-I122 HydrophobicContact CD1-CD1 3.87Å; L120-I122 HydrophobicContact CD1-CG1 3.69Å; L120-V190 HydrophobicContact CB-CG1 4.33Å; L120-V190 HydrophobicContact CD1-CG1 4.45Å; L120-S191 CarbonylContact C-O 3.5Å; L120-S191 WeakPolarHBondContact CA-O 3.31Å; L120-S191 WeakPolarHBondContact CB-O 3.32Å; L120-I192 HydrophobicContact CB-CG1 4.21Å; L120-W224 HydrophobicContact CD1-CE3 4.1Å; L120-W224 HydrophobicContact CD1-CH2 4.16Å; L120-W224 HydrophobicContact CD1-CZ3 3.77Å; L120-W224 HydrophobicContact CD2-CB 4.49Å; L120-W224 HydrophobicContact CD2-CD2 3.82Å; L120-W224 HydrophobicContact CD2-CE3 3.42Å; L120-W224 VanDerWaalsContact CD2-CE3 3.42Å; L120-W224 HydrophobicContact CD2-CG 4.28Å; L120-W224 HydrophobicContact CD2-CZ3 3.98Å; L120-W224 HydrophobicContact CG-CE3 4.34Å; L120-W224 HydrophobicContact CG-CZ3 4.49Å; L120-V225 HydrophobicContact CD2-CG2 4.22Å
121	N	98.7	Very high	89.6	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	145.7	175.7	-51.4	-64.8	0	0	0	109.5	F52 L53 G54 P86 W123 S171 V190 S191	F52-N121 CarbonylContact O-C 3.55Å; F52-N121 VanDerWaalsContact O-CA 3.26Å; F52-N121 WeakPolarHBondContact O-CA 3.36Å; L53-N121 VanDerWaalsContact CA-OD1 3.26Å; L53-N121 WeakPolarHBondContact CA-OD1 3.18Å; L53-N121 HydrophobicContact CD2-CB 3.89Å; G54-N121 PolarHBondContact N-OD1 3.08Å; P86-N121 WeakPolarHBondContact CD-OD1 3.45Å; N121-W123 HydrophobicContact CB-CE3 4.41Å; N121-W123 HydrophobicContact CB-CH2 3.49Å; N121-W123 VanDerWaalsContact CB-CH2 3.49Å; N121-W123 HydrophobicContact CB-CZ2 4.16Å; N121-W123 HydrophobicContact CB-CZ3 3.63Å; N121-S171 PolarHBondContact ND2-OG 3.26Å; N121-V190 CarbonylContact O-C 3.55Å; N121-V190 WeakPolarHBondContact O-CA 3.49Å; N121-V190 WeakPolarHBondContact O-CG1 3.41Å; N121-S191 PolarHBondContact N-O 2.9Å; N121-S191 PolarHBondContact ND2-OG 2.69Å; N121-S191 VanDerWaalsContact ND2-OG 3.1Å; N121-S191 PolarHBondContact O-N 2.95Å
122	I	98.5	Very high	87.8	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	129	179.7	-53	177.8	0	0	0	109.5	Q51 F52 I55 L120 V188 V189 V190 W224 I229 F232	Q51-I122 CarbonylContact C-O 3.08Å; Q51-I122 WeakPolarHBondContact CA-O 3.26Å; F52-I122 HydrophobicContact CB-CB 4.37Å; F52-I122 HydrophobicContact CD2-CB 4.49Å; F52-I122 PolarHBondContact N-O 2.81Å; F52-I122 PolarHBondContact O-N 3.48Å; I55-I122 HydrophobicContact CD1-CD1 3.82Å; I55-I122 HydrophobicContact CD1-CG1 4.32Å; L120-I122 HydrophobicContact CD1-CD1 3.87Å; L120-I122 HydrophobicContact CD1-CG1 3.69Å; I122-V188 HydrophobicContact CG2-CG1 3.82Å; I122-V189 CarbonylContact C-O 3.54Å; I122-V189 WeakPolarHBondContact CA-O 3.21Å; I122-V190 HydrophobicContact CG1-CG2 4.33Å; I122-W224 HydrophobicContact CD1-CH2 3.91Å; I122-W224 HydrophobicContact CD1-CZ3 3.76Å; I122-I229 HydrophobicContact CD1-CD1 4.08Å; I122-I229 HydrophobicContact CG2-CD1 4.2Å; I122-F232 HydrophobicContact CD1-CD1 4.01Å; I122-F232 HydrophobicContact CD1-CD2 3.75Å; I122-F232 HydrophobicContact CD1-CE1 4Å; I122-F232 HydrophobicContact CD1-CE2 3.75Å; I122-F232 HydrophobicContact CD1-CG 3.88Å; I122-F232 HydrophobicContact CD1-CZ 3.88Å; I122-F232 HydrophobicContact CG2-CB 4.1Å; I122-F232 HydrophobicContact CG2-CD1 4.18Å; I122-F232 HydrophobicContact CG2-CG 4.17Å
123	W	97.9	Very high	85.7	Confident	11 Å²	11	37.1 Å²	37.1	4%	0.042	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	131.5	168.4	-62.1	-93.3	0	0	0	110.1	F50 Q51 L53 N121 N177 A179 A182 V188 V189 S191	F50-W123 WeakPolarHBondContact O-CA 3.28Å; Q51-W123 HydrophobicContact CB-CG 4.49Å; L53-W123 HydrophobicContact CD2-CH2 4.36Å; L53-W123 HydrophobicContact CD2-CZ2 3.63Å; N121-W123 HydrophobicContact CB-CE3 4.41Å; N121-W123 HydrophobicContact CB-CH2 3.49Å; N121-W123 VanDerWaalsContact CB-CH2 3.49Å; N121-W123 HydrophobicContact CB-CZ2 4.16Å; N121-W123 HydrophobicContact CB-CZ3 3.63Å; W123-N177 PolarHBondContact NE1-OD1 2.87Å; W123-A179 VanDerWaalsContact CD1-CB 3.49Å; W123-A179 HydrophobicContact CG-CB 4.31Å; W123-A182 HydrophobicContact CB-CB 3.94Å; W123-V188 WeakPolarHBondContact O-CA 3.33Å; W123-V189 HydrophobicContact CB-CB 4.44Å; W123-V189 HydrophobicContact CE3-CB 4.33Å; W123-V189 HydrophobicContact CE3-CG1 4.24Å; W123-V189 PolarHBondContact N-O 2.86Å; W123-V189 PolarHBondContact O-N 2.83Å; W123-S191 WeakPolarHBondContact CZ3-OG 3.22Å
124	T	95.6	Very high	83.6	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	140	-173.8	-177.4	0	0	0	0	111.1	V49 F50 F52 F149 R155 F232	V49-T124 CarbonylContact C-O 3.58Å; F50-T124 HydrophobicContact CB-CG2 4.11Å; F50-T124 PolarHBondContact N-O 2.96Å; F50-T124 PolarHBondContact O-N 2.84Å; F52-T124 HydrophobicContact CE2-CG2 4.06Å; T124-F149 HydrophobicContact CG2-CD1 4.18Å; T124-F149 HydrophobicContact CG2-CE1 3.47Å; T124-F149 VanDerWaalsContact CG2-CE1 3.47Å; T124-F149 HydrophobicContact CG2-CE2 4.49Å; T124-F149 HydrophobicContact CG2-CZ 3.66Å; T124-R155 PolarHBondContact OG1-NH2 2.97Å; T124-F232 PolarHBondContact OG1-O 2.7Å
125	R	91.7	Very high	81.6	Confident	41 Å²	41	36.4 Å²	36.4	16%	0.155	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	146.2	180	-165.2	179.1	78.1	177.3	2	111.8	K47 N48 V49 R155 G183 N186	K47-R125 HydrophobicContact CB-CG 4.2Å; N48-R125 CarbonylContact O-C 3.45Å; N48-R125 WeakPolarHBondContact O-CA 3.41Å; N48-R125 WeakPolarHBondContact O-CG 3.42Å; V49-R125 HydrophobicContact CG2-CG 4.48Å; R125-R155 VanDerWaalsContact N-NH1 3.1Å; R125-R155 VanDerWaalsContact O-CZ 3.23Å; R125-R155 PolarHBondContact O-NH1 2.99Å; R125-R155 PolarHBondContact O-NH2 3.4Å; R125-G183 WeakPolarHBondContact CD-O 3.42Å; R125-G183 PolarHBondContact NH1-O 3.09Å; R125-N186 VanDerWaalsContact CZ-OD1 3.29Å; R125-N186 PolarHBondContact NE-OD1 3.09Å; R125-N186 VanDerWaalsContact NH2-CB 3.32Å; R125-N186 PolarHBondContact NH2-ND2 2.8Å; R125-N186 PolarHBondContact NH2-OD1 3.09Å
126	A	88	Confident	79.3	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.219	C	C	.	.			trans	-62.5	151.2	165.7	0	0	0	0	0	111.2	N48 F50 N128 Y131	N48-A126 HydrophobicContact CB-CB 3.85Å; N48-A126 PolarHBondContact O-N 3.43Å; F50-A126 HydrophobicContact CE2-CB 3.85Å; A126-N128 PolarHBondContact O-N 2.85Å; A126-Y131 HydrophobicContact CB-CD1 4.31Å; A126-Y131 HydrophobicContact CB-CD2 4.25Å; A126-Y131 HydrophobicContact CB-CG 3.94Å
127	N	82	Confident	76.9	Confident	49 Å²	49	46 Å²	46	26%	0.262	24%	0.239	S	C	.	.			trans	-82.9	105.3	163.2	-173.7	-10.2	0	0	0	108.7	N129 N130 Y131 I148	N127-N129 PolarHBondContact O-N 3.26Å; N127-N129 PolarHBondContact OD1-N 3.13Å; N127-N130 PolarHBondContact O-N 2.83Å; N127-Y131 PolarHBondContact O-N 3.28Å; N127-I148 PolarHBondContact N-O 2.71Å
128	N	68.3	Low	74.6	Confident	59 Å²	59	55 Å²	55	32%	0.316	27%	0.273	S	S	.	.	H	α-helix	trans	-54.4	-30	-174.3	-79.4	14.5	0	0	0	113.8	K47 A126 N130 S132	K47-N128 PolarHBondContact NZ-ND2 3.25Å; A126-N128 PolarHBondContact O-N 2.85Å; N128-N130 VanDerWaalsContact C-N 3.32Å; N128-N130 PolarHBondContact O-N 2.98Å; N128-S132 PolarHBondContact O-OG 3.4Å
129	N	64.5	Low	72.1	Confident	126 Å²	126	62.5 Å²	62.5	67%	0.674	31%	0.313	S	S	*	.	H	α-helix	trans	-71.6	-27.6	-179.8	-67.7	-2.9	0	0	0	112.7	N127	N127-N129 PolarHBondContact O-N 3.26Å; N127-N129 PolarHBondContact OD1-N 3.13Å
130	N	58.1	Low	69.5	Low	60 Å²	60	67.9 Å²	67.9	32%	0.321	34%	0.339	S	S	.	.	H	α-helix	trans	-99.9	-32.9	-177.7	-64.2	3.2	0	0	0	111.9	N127 N128 S132 H133 A134 A147	N127-N130 PolarHBondContact O-N 2.83Å; N128-N130 VanDerWaalsContact C-N 3.32Å; N128-N130 PolarHBondContact O-N 2.98Å; N130-S132 PolarHBondContact O-N 2.83Å; N130-H133 PolarHBondContact O-N 3.23Å; N130-A134 PolarHBondContact O-N 3.32Å; N130-A147 WeakPolarHBondContact CB-O 3.49Å
131	Y	60.9	Low	67.2	Low	24 Å²	24	74.6 Å²	74.6	9%	0.094	37%	0.372	C	S	.	.	H	α-helix	trans	-66.5	-37.1	-171.7	-167.3	-115.4	0	0	0	113.4	Q41 N48 F50 A126 N127 H133 A134 I135 I148	Q41-Y131 PolarHBondContact OE1-OH 3.37Å; N48-Y131 HydrophobicContact CB-CD1 4.44Å; N48-Y131 HydrophobicContact CB-CE1 4.25Å; N48-Y131 VanDerWaalsContact ND2-CD1 3.28Å; N48-Y131 WeakPolarHBondContact ND2-CD1 3.38Å; N48-Y131 VanDerWaalsContact ND2-CE1 3.31Å; N48-Y131 WeakPolarHBondContact ND2-CE1 3.29Å; F50-Y131 HydrophobicContact CE2-CE2 4.29Å; F50-Y131 AromaticContact CZ-CE2 3.71Å; F50-Y131 HydrophobicContact CZ-CE2 3.71Å; F50-Y131 AromaticContact CZ-CZ 3.77Å; A126-Y131 HydrophobicContact CB-CD1 4.31Å; A126-Y131 HydrophobicContact CB-CD2 4.25Å; A126-Y131 HydrophobicContact CB-CG 3.94Å; N127-Y131 PolarHBondContact O-N 3.28Å; Y131-H133 PolarHBondContact O-N 3.03Å; Y131-A134 PolarHBondContact O-N 3.39Å; Y131-I135 HydrophobicContact CD1-CD1 3.42Å; Y131-I135 VanDerWaalsContact CD1-CD1 3.42Å; Y131-I135 HydrophobicContact CD1-CG1 4.17Å; Y131-I135 HydrophobicContact CE1-CD1 3.16Å; Y131-I135 HydrophobicContact CE1-CG1 3.85Å; Y131-I135 HydrophobicContact CE2-CD1 4.43Å; Y131-I135 HydrophobicContact CE2-CG1 4.26Å; Y131-I135 HydrophobicContact CG-CD1 4.2Å; Y131-I135 WeakPolarHBondContact O-CG1 3.22Å; Y131-I135 PolarHBondContact O-N 2.83Å; Y131-I148 HydrophobicContact CD2-CG1 4.48Å; Y131-I148 HydrophobicContact CD2-CG2 4.09Å; Y131-I148 HydrophobicContact CE2-CG2 4.27Å
132	S	57.7	Low	65.1	Low	71 Å²	71	79.6 Å²	79.6	50%	0.497	40%	0.397	S	S	.	.	H	α-helix	trans	-61.9	-31.2	176.7	39.6	0	0	0	0	113.1	N128 N130	N128-S132 PolarHBondContact O-OG 3.4Å; N130-S132 PolarHBondContact O-N 2.83Å
133	H	50.7	Low	63.2	Low	149 Å²	149	82.7 Å²	82.7	69%	0.69	41%	0.413	S	S	*	.	H	α-helix	trans	-78.6	-32.3	175.5	-73.4	-67.9	0	0	0	112.8	N130 Y131 I135	N130-H133 PolarHBondContact O-N 3.23Å; Y131-H133 PolarHBondContact O-N 3.03Å; H133-I135 VanDerWaalsContact C-N 3.35Å
134	A	54.1	Low	61.9	Low	10 Å²	10	89.1 Å²	89.1	8%	0.083	44%	0.443	C	S	.	.	H	α-helix	trans	-71.8	-26.6	-180	0	0	0	0	0	113.6	N130 Y131 D137 L143	N130-A134 PolarHBondContact O-N 3.32Å; Y131-A134 PolarHBondContact O-N 3.39Å; A134-D137 PolarHBondContact O-N 2.79Å; A134-L143 HydrophobicContact CB-CD1 3.81Å; A134-L143 HydrophobicContact CB-CD2 3.82Å; A134-L143 HydrophobicContact CB-CG 4.44Å
135	I	54.3	Low	61.1	Low	46 Å²	46	90.3 Å²	90.3	24%	0.236	45%	0.452	C	S	.	.	G	3₁₀ helix	trans	-75.6	-24.9	-178	-66.6	165.9	0	0	0	113.1	Y131 H133 D137 R138	Y131-I135 HydrophobicContact CD1-CD1 3.42Å; Y131-I135 VanDerWaalsContact CD1-CD1 3.42Å; Y131-I135 HydrophobicContact CD1-CG1 4.17Å; Y131-I135 HydrophobicContact CE1-CD1 3.16Å; Y131-I135 HydrophobicContact CE1-CG1 3.85Å; Y131-I135 HydrophobicContact CE2-CD1 4.43Å; Y131-I135 HydrophobicContact CE2-CG1 4.26Å; Y131-I135 HydrophobicContact CG-CD1 4.2Å; Y131-I135 WeakPolarHBondContact O-CG1 3.22Å; Y131-I135 PolarHBondContact O-N 2.83Å; H133-I135 VanDerWaalsContact C-N 3.35Å; I135-D137 PolarHBondContact O-N 3.48Å; I135-R138 HydrophobicContact CG2-CG 4.4Å; I135-R138 VanDerWaalsContact CG2-CZ 3.44Å; I135-R138 VanDerWaalsContact CG2-NE 3.28Å; I135-R138 WeakPolarHBondContact O-CB 3.34Å; I135-R138 VanDerWaalsContact O-CG 3.27Å; I135-R138 WeakPolarHBondContact O-CG 3.32Å; I135-R138 PolarHBondContact O-N 3.49Å; I135-R138 PolarHBondContact O-NE 3.28Å
136	D	50.8	Low	60.5	Low	149 Å²	149	90.8 Å²	90.8	80%	0.797	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-67.9	-20.4	176	-97.1	-12.2	0	0	0	112.1	R138	D136-R138 PolarHBondContact O-N 3.25Å
137	D	47.8	Very low	59.9	Low	124 Å²	124	92.2 Å²	92.2	66%	0.663	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-97.7	29.5	-179.1	-114.4	-14.3	0	0	0	113.1	A134 I135 N139 H140	A134-D137 PolarHBondContact O-N 2.79Å; I135-D137 PolarHBondContact O-N 3.48Å; D137-N139 PolarHBondContact O-N 2.68Å; D137-H140 PolarHBondContact O-N 3.47Å
138	R	50.3	Low	59.8	Low	191 Å²	191	90 Å²	90	72%	0.721	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	7.2	-170.1	-107.4	-171.3	-74.7	-169.2	-3.1	117.4	I135 D136	I135-R138 HydrophobicContact CG2-CG 4.4Å; I135-R138 VanDerWaalsContact CG2-CZ 3.44Å; I135-R138 VanDerWaalsContact CG2-NE 3.28Å; I135-R138 WeakPolarHBondContact O-CB 3.34Å; I135-R138 VanDerWaalsContact O-CG 3.27Å; I135-R138 WeakPolarHBondContact O-CG 3.32Å; I135-R138 PolarHBondContact O-N 3.49Å; I135-R138 PolarHBondContact O-NE 3.28Å; D136-R138 PolarHBondContact O-N 3.25Å
139	N	46.2	Very low	60.6	Low	157 Å²	157	87.7 Å²	87.7	84%	0.84	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-2.5	173.9	-75.4	-23.1	0	0	0	114.8	D137	D137-N139 PolarHBondContact O-N 2.68Å
140	H	44	Very low	61.2	Low	158 Å²	158	82.1 Å²	82.1	73%	0.731	42%	0.421	S	S	*	.			trans	-126.8	110.6	176.3	-79.6	-58.6	0	0	0	114.4	D137 M142	D137-H140 PolarHBondContact O-N 3.47Å; H140-M142 PolarHBondContact O-N 2.78Å
141	M	50.6	Low	61.6	Low	141 Å²	141	84 Å²	84	70%	0.695	44%	0.437	S	S	*	.	S	Bend	trans	-59.4	15	176.3	-116.3	167.3	67.1	0	0	116.2
142	M	54.4	Low	61.1	Low	105 Å²	105	93.3 Å²	93.3	52%	0.517	48%	0.478	S	S	.	.			trans	-147.7	65.1	-174.8	-70.6	-83.2	175	0	0	110.1	V29 H140	V29-M142 HydrophobicContact CG1-CE 3.94Å; V29-M142 HydrophobicContact CG1-SD 4.19Å; H140-M142 PolarHBondContact O-N 2.78Å
143	L	60.4	Low	61.6	Low	65 Å²	65	92.5 Å²	92.5	34%	0.34	48%	0.481	S	S	.	.			trans	-67	137.3	168.6	-79.2	162.2	0	0	0	109.5	A134 S145 I148	A134-L143 HydrophobicContact CB-CD1 3.81Å; A134-L143 HydrophobicContact CB-CD2 3.82Å; A134-L143 HydrophobicContact CB-CG 4.44Å; L143-S145 PolarHBondContact O-N 3.06Å; L143-I148 HydrophobicContact CB-CD1 3.53Å; L143-I148 HydrophobicContact CB-CG1 4.04Å; L143-I148 HydrophobicContact CD1-CD1 4.44Å; L143-I148 HydrophobicContact CD1-CG1 4.35Å
144	E	70.4	Confident	63.2	Low	146 Å²	146	87 Å²	87	68%	0.682	46%	0.464	S	S	*	.			trans	-58.6	135.5	172.8	-73.3	-161.7	164.1	0	0	110	S146 A147 I148	E144-S146 WeakPolarHBondContact CB-OG 3.22Å; E144-S146 PolarHBondContact O-N 3.31Å; E144-S146 VanDerWaalsContact O-N 3.08Å; E144-S146 PolarHBondContact OE2-OG 2.78Å; E144-A147 WeakPolarHBondContact O-CA 3.22Å; E144-A147 VanDerWaalsContact O-CB 3.27Å; E144-A147 WeakPolarHBondContact O-CB 3.39Å; E144-A147 PolarHBondContact O-N 2.94Å; E144-I148 PolarHBondContact O-N 2.94Å
145	S	78.6	Confident	65	Low	26 Å²	26	87.4 Å²	87.4	18%	0.182	46%	0.464	C	S	.	.	H	α-helix	trans	-49.3	-37.2	177	162.7	0	0	0	0	112.9	L143 A147 I148 F149 Y231	L143-S145 PolarHBondContact O-N 3.06Å; S145-A147 VanDerWaalsContact C-N 3.32Å; S145-A147 PolarHBondContact O-N 3.41Å; S145-I148 PolarHBondContact O-N 3.04Å; S145-F149 PolarHBondContact O-N 3.46Å; S145-Y231 WeakPolarHBondContact CB-O 3.37Å; S145-Y231 VanDerWaalsContact OG-C 3.25Å; S145-Y231 PolarHBondContact OG-O 3.34Å
146	S	78.1	Confident	66.9	Low	50 Å²	50	86 Å²	86	35%	0.35	46%	0.457	S	S	.	.	H	α-helix	trans	-61	-35.3	175.5	55.2	0	0	0	0	113.4	E144 I148 G150	E144-S146 WeakPolarHBondContact CB-OG 3.22Å; E144-S146 PolarHBondContact O-N 3.31Å; E144-S146 VanDerWaalsContact O-N 3.08Å; E144-S146 PolarHBondContact OE2-OG 2.78Å; S146-I148 VanDerWaalsContact C-N 3.33Å; S146-G150 WeakPolarHBondContact CA-O 3.47Å; S146-G150 CarbonylContact O-C 3.53Å; S146-G150 VanDerWaalsContact O-CA 3.24Å; S146-G150 WeakPolarHBondContact O-CA 3.46Å; S146-G150 PolarHBondContact O-N 2.82Å
147	A	75	Confident	69.2	Low	31 Å²	31	78.9 Å²	78.9	26%	0.256	42%	0.419	S	S	.	.	H	α-helix	trans	-71.2	-29.7	177.6	0	0	0	0	0	111.9	N130 E144 S145	N130-A147 WeakPolarHBondContact CB-O 3.49Å; E144-A147 WeakPolarHBondContact O-CA 3.22Å; E144-A147 VanDerWaalsContact O-CB 3.27Å; E144-A147 WeakPolarHBondContact O-CB 3.39Å; E144-A147 PolarHBondContact O-N 2.94Å; S145-A147 VanDerWaalsContact C-N 3.32Å; S145-A147 PolarHBondContact O-N 3.41Å
148	I	80.7	Confident	71.6	Confident	2 Å²	2	73 Å²	73	1%	0.01	39%	0.388	C	S	.	.	H	α-helix	trans	-91.2	-46.3	-178.8	-61.9	145.5	0	0	0	111.3	I28 F50 N127 Y131 L143 E144 S145 S146	I28-I148 HydrophobicContact CD1-CB 4.42Å; I28-I148 HydrophobicContact CD1-CD1 3.43Å; I28-I148 VanDerWaalsContact CD1-CD1 3.43Å; I28-I148 HydrophobicContact CD1-CG1 4.13Å; I28-I148 HydrophobicContact CD1-CG2 3.82Å; I28-I148 HydrophobicContact CG1-CD1 4.19Å; F50-I148 HydrophobicContact CD2-CG2 4.32Å; F50-I148 HydrophobicContact CE2-CG2 3.58Å; F50-I148 HydrophobicContact CZ-CG2 4.03Å; N127-I148 PolarHBondContact N-O 2.71Å; Y131-I148 HydrophobicContact CD2-CG1 4.48Å; Y131-I148 HydrophobicContact CD2-CG2 4.09Å; Y131-I148 HydrophobicContact CE2-CG2 4.27Å; L143-I148 HydrophobicContact CB-CD1 3.53Å; L143-I148 HydrophobicContact CB-CG1 4.04Å; L143-I148 HydrophobicContact CD1-CD1 4.44Å; L143-I148 HydrophobicContact CD1-CG1 4.35Å; E144-I148 PolarHBondContact O-N 2.94Å; S145-I148 PolarHBondContact O-N 3.04Å; S146-I148 VanDerWaalsContact C-N 3.33Å
149	F	85	Confident	74	Confident	10 Å²	10	63.9 Å²	63.9	4%	0.044	35%	0.353	C	S	.	.	H	α-helix	trans	-103.3	-8.5	-170	-56.3	-54.6	0	0	0	114.5	I28 I30 F50 F52 T124 S145	I28-F149 HydrophobicContact CD1-CZ 4.28Å; I30-F149 HydrophobicContact CD1-CE2 3.65Å; I30-F149 HydrophobicContact CD1-CZ 4.36Å; I30-F149 HydrophobicContact CG1-CE2 4.17Å; F50-F149 HydrophobicContact CB-CE1 4.43Å; F50-F149 HydrophobicContact CB-CZ 4.49Å; F50-F149 AromaticContact CD2-CE1 3.61Å; F50-F149 HydrophobicContact CD2-CE1 3.61Å; F50-F149 HydrophobicContact CD2-CZ 4.19Å; F50-F149 HydrophobicContact CE2-CE1 4.17Å; F50-F149 HydrophobicContact CG-CE1 4.29Å; F50-F149 HydrophobicContact CG-CZ 4.48Å; F52-F149 HydrophobicContact CE2-CZ 4.37Å; F52-F149 HydrophobicContact CZ-CZ 4.49Å; T124-F149 HydrophobicContact CG2-CD1 4.18Å; T124-F149 HydrophobicContact CG2-CE1 3.47Å; T124-F149 VanDerWaalsContact CG2-CE1 3.47Å; T124-F149 HydrophobicContact CG2-CE2 4.49Å; T124-F149 HydrophobicContact CG2-CZ 3.66Å; S145-F149 PolarHBondContact O-N 3.46Å
150	G	77.1	Confident	76.4	Confident	9 Å²	9	56.4 Å²	56.4	9%	0.093	31%	0.313	C	S	.	.			trans	100.1	178.5	178.3	0	0	0	0	0	114.8	S146	S146-G150 WeakPolarHBondContact CA-O 3.47Å; S146-G150 CarbonylContact O-C 3.53Å; S146-G150 VanDerWaalsContact O-CA 3.24Å; S146-G150 WeakPolarHBondContact O-CA 3.46Å; S146-G150 PolarHBondContact O-N 2.82Å
151	P	66.4	Low	79	Confident	101 Å²	101	48.9 Å²	48.9	66%	0.656	28%	0.279	S	S	*	.	S	Bend	trans	-72.8	165.7	-169.1	28.5	-34.2	0	0	0	114.5	G153	P151-G153 PolarHBondContact O-N 3.07Å
152	K	51.5	Low	81.2	Confident	218 Å²	218	42.2 Å²	42.2	95%	0.948	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	128.1	178	-72.7	-176.3	176.6	179.6	0	110.9
153	G	67	Low	83.1	Confident	55 Å²	55	37.3 Å²	37.3	57%	0.567	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	135.6	-29.4	-169.5	0	0	0	0	0	111.5	P151 N235	P151-G153 PolarHBondContact O-N 3.07Å; G153-N235 VanDerWaalsContact O-CB 3.27Å; G153-N235 WeakPolarHBondContact O-CB 3.42Å; G153-N235 VanDerWaalsContact O-CG 3.23Å; G153-N235 PolarHBondContact O-ND2 3.04Å
154	G	83.5	Confident	84.6	Confident	33 Å²	33	35 Å²	35	34%	0.34	22%	0.215	S	C	.	.			trans	61.2	173	166.4	0	0	0	0	0	115.4	G233	G154-G233 WeakPolarHBondContact CA-O 3.39Å
155	R	92.2	Very high	85.5	Confident	19 Å²	19	29.2 Å²	29.2	7%	0.072	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	157.6	172.5	-74.2	165.7	-67.5	172.6	-4	111.3	T124 R125 V157 N186 V188 F232 G233 G234 N235	T124-R155 PolarHBondContact OG1-NH2 2.97Å; R125-R155 VanDerWaalsContact N-NH1 3.1Å; R125-R155 VanDerWaalsContact O-CZ 3.23Å; R125-R155 PolarHBondContact O-NH1 2.99Å; R125-R155 PolarHBondContact O-NH2 3.4Å; R155-V157 PolarHBondContact O-N 3.29Å; R155-N186 VanDerWaalsContact CD-O 3.26Å; R155-N186 WeakPolarHBondContact CD-O 3.4Å; R155-N186 WeakPolarHBondContact CD-OD1 3.49Å; R155-N186 WeakPolarHBondContact CG-O 3.32Å; R155-N186 PolarHBondContact NH1-OD1 2.98Å; R155-V188 HydrophobicContact CB-CG2 4.31Å; R155-F232 PolarHBondContact NH2-O 3.26Å; R155-G233 PolarHBondContact N-O 3.37Å; R155-G233 PolarHBondContact NE-O 3.45Å; R155-G234 CarbonylContact O-C 3.53Å; R155-G234 WeakPolarHBondContact O-CA 3.04Å; R155-N235 WeakPolarHBondContact O-CB 3.32Å; R155-N235 PolarHBondContact O-N 3.06Å
156	P	95.9	Very high	86.2	Confident	15 Å²	15	28 Å²	28	10%	0.097	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.2	137.8	170.7	-14.6	22.6	0	0	0	110.4	V187 V188 A581 S582	P156-V187 HydrophobicContact CB-CG1 4.18Å; P156-V187 HydrophobicContact CG-CG1 4.25Å; P156-V188 PolarHBondContact O-N 3.24Å; P156-A581 HydrophobicContact CB-CB 4.27Å; P156-S582 VanDerWaalsContact CG-OG 3.22Å; P156-S582 WeakPolarHBondContact CG-OG 3.16Å
157	V	98.4	Very high	86.9	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	123.1	179.9	-176.1	0	0	0	0	108.3	R155 V159 V188 V190 V225 I229 Q238 I239 T240	R155-V157 PolarHBondContact O-N 3.29Å; V157-V159 HydrophobicContact CG1-CG2 4.05Å; V157-V188 CarbonylContact C-O 3.2Å; V157-V188 WeakPolarHBondContact CA-O 3.21Å; V157-V188 HydrophobicContact CG2-CB 4.32Å; V157-V190 HydrophobicContact CG1-CG2 3.95Å; V157-V225 HydrophobicContact CG1-CG1 4.12Å; V157-I229 HydrophobicContact CB-CG1 4.49Å; V157-I229 HydrophobicContact CG1-CD1 4.4Å; V157-I229 HydrophobicContact CG1-CG1 3.89Å; V157-I229 HydrophobicContact CG2-CG1 3.73Å; V157-I229 HydrophobicContact CG2-CG2 3.99Å; V157-Q238 PolarHBondContact N-O 2.91Å; V157-I239 HydrophobicContact CB-CG1 4.08Å; V157-I239 HydrophobicContact CG1-CG1 4.42Å; V157-I239 CarbonylContact O-C 3.49Å; V157-I239 WeakPolarHBondContact O-CA 3.04Å; V157-T240 PolarHBondContact O-N 3.07Å
158	M	98.7	Very high	87.8	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	118.4	175.2	-65.1	-175.9	69.4	0	0	109	L181 V187 V188 V189 V190 T240 F242 I268 W577 T578 A581	M158-L181 HydrophobicContact CE-CD2 4.4Å; M158-L181 HydrophobicContact SD-CD2 4.22Å; M158-V187 HydrophobicContact SD-CG2 4.19Å; M158-V188 PolarHBondContact N-O 3.18Å; M158-V189 CarbonylContact O-C 3.47Å; M158-V189 WeakPolarHBondContact O-CA 3.36Å; M158-V190 PolarHBondContact O-N 3.07Å; M158-T240 CarbonylContact C-O 3.33Å; M158-T240 WeakPolarHBondContact CA-O 3.31Å; M158-F242 HydrophobicContact CB-CD1 4.1Å; M158-F242 HydrophobicContact CB-CE1 3.59Å; M158-F242 HydrophobicContact CB-CZ 4.27Å; M158-F242 HydrophobicContact CE-CD1 4.23Å; M158-F242 HydrophobicContact CE-CD2 4.33Å; M158-F242 HydrophobicContact CE-CE1 4.19Å; M158-F242 HydrophobicContact CE-CE2 4.26Å; M158-F242 HydrophobicContact CE-CG 4.35Å; M158-F242 HydrophobicContact CE-CZ 4.21Å; M158-I268 HydrophobicContact CE-CD1 4.21Å; M158-W577 HydrophobicContact CE-CB 4.19Å; M158-T578 HydrophobicContact SD-CG2 3.71Å; M158-A581 HydrophobicContact CG-CB 3.67Å; M158-A581 HydrophobicContact SD-CB 3.96Å
159	V	98.9	Very high	88.5	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	114.7	-177.9	-175.8	0	0	0	0	110	V157 I161 V190 I192 L222 V225 I239 T240 L241 F242	V157-V159 HydrophobicContact CG1-CG2 4.05Å; V159-I161 HydrophobicContact CG1-CD1 4.4Å; V159-V190 CarbonylContact C-O 3.58Å; V159-V190 WeakPolarHBondContact CA-O 3.29Å; V159-V190 HydrophobicContact CG1-CB 4.43Å; V159-V190 HydrophobicContact CG1-CG1 4.5Å; V159-V190 HydrophobicContact CG2-CB 4.16Å; V159-I192 HydrophobicContact CG1-CD1 3.44Å; V159-I192 VanDerWaalsContact CG1-CD1 3.44Å; V159-I192 HydrophobicContact CG1-CG1 4Å; V159-L222 HydrophobicContact CB-CD2 4.33Å; V159-L222 HydrophobicContact CG1-CD2 3.89Å; V159-L222 HydrophobicContact CG2-CD2 4.34Å; V159-V225 HydrophobicContact CG2-CG1 4.16Å; V159-I239 HydrophobicContact CG2-CG2 3.74Å; V159-T240 PolarHBondContact N-O 2.79Å; V159-L241 HydrophobicContact CB-CD2 3.84Å; V159-L241 HydrophobicContact CG1-CD2 4.32Å; V159-L241 HydrophobicContact CG2-CD2 4.38Å; V159-F242 VanDerWaalsContact C-CE1 3.46Å; V159-F242 WeakPolarHBondContact O-CD1 3.46Å; V159-F242 PolarHBondContact O-N 2.91Å
160	W	98.6	Very high	89.1	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	125.9	-179.3	-179.9	-116.4	0	0	0	111.8	Y176 V190 I192 F242 H244 F547	W160-Y176 AromaticContact CD1-CD2 3.91Å; W160-Y176 AromaticContact CD1-CG 3.92Å; W160-Y176 AromaticContact CE2-CD1 3.78Å; W160-Y176 AromaticContact CE2-CE1 3.85Å; W160-Y176 AromaticContact CE2-CG 3.96Å; W160-Y176 HydrophobicContact CH2-CE1 4.43Å; W160-Y176 AromaticContact CZ2-CD1 3.75Å; W160-Y176 HydrophobicContact CZ2-CD1 3.75Å; W160-Y176 AromaticContact CZ2-CE1 3.4Å; W160-Y176 HydrophobicContact CZ2-CE1 3.4Å; W160-Y176 VanDerWaalsContact CZ2-CE1 3.4Å; W160-Y176 HydrophobicContact CZ2-CE2 4.32Å; W160-Y176 HydrophobicContact CZ2-CG 4.36Å; W160-Y176 AromaticContact CZ2-CZ 3.72Å; W160-Y176 AromaticContact NE1-CD1 3.54Å; W160-Y176 AromaticContact NE1-CD2 3.15Å; W160-Y176 AromaticContact NE1-CE1 3.81Å; W160-Y176 AromaticContact NE1-CE2 3.45Å; W160-Y176 AromaticContact NE1-CG 3.23Å; W160-Y176 AromaticContact NE1-CZ 3.76Å; W160-V190 PolarHBondContact N-O 3.15Å; W160-I192 PolarHBondContact O-N 3.15Å; W160-F242 WeakPolarHBondContact CA-O 3.19Å; W160-F242 HydrophobicContact CB-CE1 3.82Å; W160-F242 HydrophobicContact CB-CZ 3.82Å; W160-F242 HydrophobicContact CD2-CD2 4.48Å; W160-F242 HydrophobicContact CD2-CE2 4.19Å; W160-F242 HydrophobicContact CD2-CZ 4.37Å; W160-F242 HydrophobicContact CE3-CD1 4.26Å; W160-F242 AromaticContact CE3-CD2 3.27Å; W160-F242 HydrophobicContact CE3-CD2 3.27Å; W160-F242 HydrophobicContact CE3-CE1 4.25Å; W160-F242 AromaticContact CE3-CE2 3.29Å; W160-F242 HydrophobicContact CE3-CE2 3.29Å; W160-F242 AromaticContact CE3-CG 3.76Å; W160-F242 HydrophobicContact CE3-CG 3.76Å; W160-F242 AromaticContact CE3-CZ 3.8Å; W160-F242 HydrophobicContact CE3-CZ 3.8Å; W160-F242 VanDerWaalsContact CE3-O 3.25Å; W160-F242 HydrophobicContact CG-CZ 4.44Å; W160-F242 AromaticContact CZ3-CD2 3.49Å; W160-F242 HydrophobicContact CZ3-CD2 3.49Å; W160-F242 VanDerWaalsContact CZ3-CD2 3.49Å; W160-F242 AromaticContact CZ3-CE2 3.76Å; W160-F242 HydrophobicContact CZ3-CE2 3.76Å; W160-F242 HydrophobicContact CZ3-CG 4.22Å; W160-H244 HydrophobicContact CH2-CB 3.97Å; W160-F547 HydrophobicContact CB-CZ 4.1Å; W160-F547 AromaticContact CD2-CE2 3.88Å; W160-F547 HydrophobicContact CD2-CE2 3.88Å; W160-F547 AromaticContact CD2-CZ 3.59Å; W160-F547 HydrophobicContact CD2-CZ 3.59Å; W160-F547 AromaticContact CE2-CE2 3.97Å; W160-F547 AromaticContact CE2-CZ 3.99Å; W160-F547 AromaticContact CE3-CE2 3.93Å; W160-F547 HydrophobicContact CE3-CE2 3.93Å; W160-F547 AromaticContact CE3-CZ 3.87Å; W160-F547 HydrophobicContact CE3-CZ 3.87Å; W160-F547 HydrophobicContact CG-CE2 4.45Å; W160-F547 AromaticContact CG-CZ 3.7Å; W160-F547 HydrophobicContact CG-CZ 3.7Å; W160-F547 HydrophobicContact CH2-CE2 4.1Å; W160-F547 HydrophobicContact CZ2-CE2 4.1Å; W160-F547 HydrophobicContact CZ3-CE2 4.02Å; W160-F547 HydrophobicContact CZ3-CZ 4.43Å
161	I	98.4	Very high	90	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	112.6	168.6	-50.2	-58.9	0	0	0	108	V159 I192 Y194 Q218 F242 G243 C250 V251	V159-I161 HydrophobicContact CG1-CD1 4.4Å; I161-I192 HydrophobicContact CD1-CB 4.3Å; I161-I192 HydrophobicContact CD1-CD1 4.32Å; I161-Y194 HydrophobicContact CG2-CD1 4.31Å; I161-Y194 HydrophobicContact CG2-CE1 3.8Å; I161-Q218 HydrophobicContact CD1-CG 4.24Å; I161-F242 PolarHBondContact N-O 2.98Å; I161-G243 VanDerWaalsContact O-CA 3.23Å; I161-G243 WeakPolarHBondContact O-CA 3.39Å; I161-C250 HydrophobicContact CG2-CB 4.04Å; I161-V251 HydrophobicContact CB-CG2 4.06Å; I161-V251 HydrophobicContact CG1-CG2 3.9Å
162	H	97	Very high	91.3	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.005	14%	0.138	C	C	.	.			trans	-72.3	151.1	-172.7	68.5	79.3	0	0	0	113	S171 Y176 Y194 G247	H162-S171 PolarHBondContact CD2-N 3.43Å; H162-Y176 HydrophobicContact CB-CD2 4.21Å; H162-Y176 HydrophobicContact CB-CE2 3.7Å; H162-Y194 AromaticContact CD2-CE1 3.64Å; H162-Y194 AromaticContact CE1-CE1 3.49Å; H162-Y194 VanDerWaalsContact CE1-CE1 3.49Å; H162-Y194 WeakPolarHBondContact CE1-CE1 3.47Å; H162-Y194 AromaticContact CE1-CZ 3.82Å; H162-Y194 AromaticContact CG-CE1 3.94Å; H162-Y194 AromaticContact ND1-CE1 3.85Å; H162-Y194 AromaticContact NE2-CD1 3.63Å; H162-Y194 AromaticContact NE2-CE1 3.37Å; H162-Y194 WeakPolarHBondContact NE2-CE1 3.43Å; H162-Y194 PolarHBondContact O-OH 3.17Å; H162-G247 VanDerWaalsContact O-CA 3.29Å; H162-G247 WeakPolarHBondContact O-CA 3.26Å; H162-G247 PolarHBondContact O-N 3.23Å
163	G	93.9	Very high	93.4	Very high	2 Å²	2	12.6 Å²	12.6	2%	0.021	9%	0.094	C	C	.	.			trans	-81.6	-166.6	171.6	0	0	0	0	0	113.8	H244	G163-H244 WeakPolarHBondContact CA-O 3.43Å
164	G	90.8	Very high	94.6	Very high	18 Å²	18	12.5 Å²	12.5	19%	0.186	8%	0.079	C	C	.	.	S	Bend	trans	116.4	37.2	-177.8	0	0	0	0	0	113.6	L166 I167 R168	G164-L166 PolarHBondContact O-N 2.87Å; G164-I167 PolarHBondContact O-N 3.33Å; G164-I167 VanDerWaalsContact O-N 3.07Å; G164-R168 CarbonylContact C-O 3.57Å; G164-R168 VanDerWaalsContact CA-O 3.26Å; G164-R168 WeakPolarHBondContact CA-O 3.13Å; G164-R168 WeakPolarHBondContact O-CG 3.38Å; G164-R168 PolarHBondContact O-N 2.95Å
165	S	89.6	Confident	95.1	Very high	24 Å²	24	11 Å²	11	17%	0.168	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	22.1	172.1	-64.9	0	0	0	0	114.6	I167 L369	S165-I167 PolarHBondContact O-N 3.01Å; S165-L369 VanDerWaalsContact CB-CD2 3.49Å
166	L	94.4	Very high	95.2	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	8	-174.8	-52.1	175.7	0	0	0	115	G164 Y194 L196 G197 F201 G246 I249 L369 P373	G164-L166 PolarHBondContact O-N 2.87Å; L166-Y194 HydrophobicContact CD2-CE2 4.07Å; L166-L196 CarbonylContact O-C 3.41Å; L166-L196 WeakPolarHBondContact O-CA 3.41Å; L166-L196 WeakPolarHBondContact O-CB 3.3Å; L166-G197 PolarHBondContact O-N 3.39Å; L166-F201 HydrophobicContact CB-CD2 4.39Å; L166-F201 HydrophobicContact CB-CE2 3.87Å; L166-F201 HydrophobicContact CB-CZ 4.31Å; L166-F201 HydrophobicContact CD1-CE1 4.46Å; L166-F201 HydrophobicContact CD1-CE2 4.47Å; L166-F201 HydrophobicContact CD1-CZ 4.18Å; L166-F201 HydrophobicContact CD2-CE2 4.32Å; L166-F201 HydrophobicContact CD2-CZ 4.02Å; L166-F201 HydrophobicContact CG-CE2 4.47Å; L166-F201 HydrophobicContact CG-CZ 4.42Å; L166-G246 WeakPolarHBondContact CD2-O 2.99Å; L166-I249 HydrophobicContact CD1-CD1 4.3Å; L166-L369 HydrophobicContact CD1-CD1 4.34Å; L166-P373 VanDerWaalsContact CD1-CD 3.43Å; L166-P373 HydrophobicContact CD1-CG 4.03Å
167	I	93	Very high	95.2	Very high	10 Å²	10	10.7 Å²	10.7	5%	0.051	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.1	-17.6	-179.2	61.2	171.6	0	0	0	113.1	Q91 P92 G164 S165 W330 P370	Q91-I167 VanDerWaalsContact CB-O 3.28Å; Q91-I167 WeakPolarHBondContact CB-O 3.44Å; P92-I167 VanDerWaalsContact CD-O 3.27Å; P92-I167 WeakPolarHBondContact CD-O 3.28Å; G164-I167 PolarHBondContact O-N 3.33Å; G164-I167 VanDerWaalsContact O-N 3.07Å; S165-I167 PolarHBondContact O-N 3.01Å; I167-W330 HydrophobicContact CD1-CH2 3.85Å; I167-W330 HydrophobicContact CD1-CZ2 3.82Å; I167-P370 HydrophobicContact CG2-CG 3.63Å
168	R	92.8	Very high	95.2	Very high	55 Å²	55	10.7 Å²	10.7	21%	0.208	6%	0.061	C	C	.	.	S	Bend	trans	-145.8	175.4	177.6	63.8	-178.5	-73.5	-174.1	-2.5	110.2	Q91 E98 G164 L196	Q91-R168 HydrophobicContact CB-CB 4.29Å; Q91-R168 VanDerWaalsContact OE1-CA 3.29Å; Q91-R168 VanDerWaalsContact OE1-CB 3.3Å; E98-R168 IonicContact OE1-CZ 2.75Å; E98-R168 VanDerWaalsContact OE1-CZ 3.26Å; E98-R168 IonicContact OE1-NH1 3.47Å; E98-R168 PolarHBondContact OE1-NH1 2.89Å; E98-R168 IonicContact OE1-NH2 2.68Å; E98-R168 PolarHBondContact OE1-NH2 2.73Å; E98-R168 IonicContact OE2-NH1 3.96Å; G164-R168 CarbonylContact C-O 3.57Å; G164-R168 VanDerWaalsContact CA-O 3.26Å; G164-R168 WeakPolarHBondContact CA-O 3.13Å; G164-R168 WeakPolarHBondContact O-CG 3.38Å; G164-R168 PolarHBondContact O-N 2.95Å; R168-L196 VanDerWaalsContact C-CD1 3.49Å
169	G	95.2	Very high	95	Very high	12 Å²	12	10.7 Å²	10.7	12%	0.124	6%	0.061	C	C	.	.			trans	115.2	162.8	179.3	0	0	0	0	0	113.3	Q91	Q91-G169 PolarHBondContact NE2-O 3.12Å
170	S	97	Very high	94.9	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.064	C	C	.	.			trans	-156.1	143.6	178.6	-173.4	0	0	0	0	110.4	T88 S172 Y176 Q193	T88-S170 WeakPolarHBondContact OG1-CB 3.44Å; T88-S170 PolarHBondContact OG1-OG 2.83Å; S170-S172 PolarHBondContact O-N 3.42Å; S170-S172 PolarHBondContact OG-N 3Å; S170-Y176 WeakPolarHBondContact O-CD2 3.44Å; S170-Q193 PolarHBondContact OG-NE2 3.21Å; S170-Q193 VanDerWaalsContact OG-NE2 3.08Å
171	S	96.2	Very high	94.8	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-10.9	171.3	69.8	0	0	0	0	113.6	N121 H162 S191 Q193	N121-S171 PolarHBondContact ND2-OG 3.26Å; H162-S171 PolarHBondContact CD2-N 3.43Å; S171-S191 WeakPolarHBondContact CB-OG 3.32Å; S171-S191 PolarHBondContact O-OG 2.84Å; S171-Q193 WeakPolarHBondContact OG-CG 3.27Å; S171-Q193 PolarHBondContact OG-OE1 3.42Å
172	S	94.9	Very high	94.7	Very high	15 Å²	15	11.5 Å²	11.5	11%	0.105	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-0.1	-176.8	-58.7	0	0	0	0	114.6	P86 S170	P86-S172 WeakPolarHBondContact CD-OG 3.2Å; S170-S172 PolarHBondContact O-N 3.42Å; S170-S172 PolarHBondContact OG-N 3Å
173	I	94.5	Very high	94.5	Very high	6 Å²	6	11.6 Å²	11.6	3%	0.031	7%	0.065	C	C	.	.	S	Bend	trans	-67.5	144.2	177	70	172	0	0	0	110.3	W107 L108 M175 Y176	W107-I173 HydrophobicContact CE3-CD1 3.98Å; W107-I173 HydrophobicContact CZ3-CD1 4.38Å; L108-I173 WeakPolarHBondContact O-CG2 3.48Å; I173-M175 HydrophobicContact CD1-CB 3.96Å; I173-M175 HydrophobicContact CG1-CB 4.1Å; I173-M175 PolarHBondContact O-N 3.22Å; I173-M175 VanDerWaalsContact O-N 3.14Å; I173-Y176 HydrophobicContact CD1-CD1 4.37Å; I173-Y176 HydrophobicContact CD1-CD2 3.59Å; I173-Y176 HydrophobicContact CD1-CE1 4.01Å; I173-Y176 HydrophobicContact CD1-CE2 3.14Å; I173-Y176 HydrophobicContact CD1-CG 4.17Å; I173-Y176 HydrophobicContact CG1-CD1 4.35Å; I173-Y176 HydrophobicContact CG1-CD2 3.2Å; I173-Y176 HydrophobicContact CG1-CE1 4.46Å; I173-Y176 HydrophobicContact CG1-CE2 3.35Å; I173-Y176 HydrophobicContact CG1-CG 3.73Å; I173-Y176 PolarHBondContact O-N 3.02Å
174	E	93.7	Very high	94.4	Very high	53 Å²	53	14.4 Å²	14.4	25%	0.248	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-62.4	-27.6	-172.5	-170.2	59.7	-148.9	0	0	112.7	Y176 N177 N552 F555 Y559	E174-Y176 PolarHBondContact O-N 2.67Å; E174-N177 VanDerWaalsContact O-CB 3.25Å; E174-N177 WeakPolarHBondContact O-CB 3.16Å; E174-N177 PolarHBondContact O-N 2.83Å; E174-N177 VanDerWaalsContact O-N 3.12Å; E174-N177 PolarHBondContact OE1-ND2 3.11Å; E174-N552 PolarHBondContact OE1-ND2 2.69Å; E174-F555 HydrophobicContact CG-CB 4.48Å; E174-F555 HydrophobicContact CG-CD2 4.29Å; E174-Y559 HydrophobicContact CB-CE2 3.99Å; E174-Y559 HydrophobicContact CG-CE2 4.22Å
175	M	93.1	Very high	94.5	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.01	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-53.6	-33.3	172.2	-173.6	62.4	94.2	0	0	113	V106 W107 I173 E544 F547 F555	V106-M175 HydrophobicContact CG1-CE 4.18Å; V106-M175 HydrophobicContact CG2-CB 4.25Å; V106-M175 HydrophobicContact CG2-CE 3.69Å; W107-M175 HydrophobicContact CH2-CE 4.13Å; W107-M175 HydrophobicContact CH2-CG 4.35Å; W107-M175 HydrophobicContact CZ2-CE 4.21Å; W107-M175 HydrophobicContact CZ3-CG 4.19Å; I173-M175 HydrophobicContact CD1-CB 3.96Å; I173-M175 HydrophobicContact CG1-CB 4.1Å; I173-M175 PolarHBondContact O-N 3.22Å; I173-M175 VanDerWaalsContact O-N 3.14Å; M175-E544 HydrophobicContact CE-CB 3.74Å; M175-E544 WeakPolarHBondContact SD-CA 3.5Å; M175-E544 HydrophobicContact SD-CB 3.27Å; M175-E544 WeakPolarHBondContact SD-CB 3.38Å; M175-F547 VanDerWaalsContact O-CB 3.22Å; M175-F547 WeakPolarHBondContact O-CB 3.44Å; M175-F547 WeakPolarHBondContact O-CG 3.2Å; M175-F555 HydrophobicContact CB-CE2 4.45Å; M175-F555 HydrophobicContact CE-CE2 4.02Å; M175-F555 HydrophobicContact CE-CZ 3.9Å; M175-F555 HydrophobicContact SD-CE2 3.76Å; M175-F555 HydrophobicContact SD-CZ 4.06Å
176	Y	94.9	Very high	94.5	Very high	7 Å²	7	16.5 Å²	16.5	3%	0.027	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-100.9	19.3	-176.4	-51	-32.4	0	0	0	112.6	W107 W160 H162 S170 I173 E174 G178 A543 F547	W107-Y176 HydrophobicContact CZ3-CE1 4.16Å; W107-Y176 WeakPolarHBondContact CZ3-OH 3.5Å; W160-Y176 AromaticContact CD1-CD2 3.91Å; W160-Y176 AromaticContact CD1-CG 3.92Å; W160-Y176 AromaticContact CE2-CD1 3.78Å; W160-Y176 AromaticContact CE2-CE1 3.85Å; W160-Y176 AromaticContact CE2-CG 3.96Å; W160-Y176 HydrophobicContact CH2-CE1 4.43Å; W160-Y176 AromaticContact CZ2-CD1 3.75Å; W160-Y176 HydrophobicContact CZ2-CD1 3.75Å; W160-Y176 AromaticContact CZ2-CE1 3.4Å; W160-Y176 HydrophobicContact CZ2-CE1 3.4Å; W160-Y176 VanDerWaalsContact CZ2-CE1 3.4Å; W160-Y176 HydrophobicContact CZ2-CE2 4.32Å; W160-Y176 HydrophobicContact CZ2-CG 4.36Å; W160-Y176 AromaticContact CZ2-CZ 3.72Å; W160-Y176 AromaticContact NE1-CD1 3.54Å; W160-Y176 AromaticContact NE1-CD2 3.15Å; W160-Y176 AromaticContact NE1-CE1 3.81Å; W160-Y176 AromaticContact NE1-CE2 3.45Å; W160-Y176 AromaticContact NE1-CG 3.23Å; W160-Y176 AromaticContact NE1-CZ 3.76Å; H162-Y176 HydrophobicContact CB-CD2 4.21Å; H162-Y176 HydrophobicContact CB-CE2 3.7Å; S170-Y176 WeakPolarHBondContact O-CD2 3.44Å; I173-Y176 HydrophobicContact CD1-CD1 4.37Å; I173-Y176 HydrophobicContact CD1-CD2 3.59Å; I173-Y176 HydrophobicContact CD1-CE1 4.01Å; I173-Y176 HydrophobicContact CD1-CE2 3.14Å; I173-Y176 HydrophobicContact CD1-CG 4.17Å; I173-Y176 HydrophobicContact CG1-CD1 4.35Å; I173-Y176 HydrophobicContact CG1-CD2 3.2Å; I173-Y176 HydrophobicContact CG1-CE1 4.46Å; I173-Y176 HydrophobicContact CG1-CE2 3.35Å; I173-Y176 HydrophobicContact CG1-CG 3.73Å; I173-Y176 PolarHBondContact O-N 3.02Å; E174-Y176 PolarHBondContact O-N 2.67Å; Y176-G178 PolarHBondContact O-N 3.17Å; Y176-A543 HydrophobicContact CE1-CB 4.36Å; Y176-F547 HydrophobicContact CD1-CD2 4.19Å; Y176-F547 AromaticContact CD1-CE2 3.92Å; Y176-F547 HydrophobicContact CD1-CE2 3.92Å; Y176-F547 HydrophobicContact CD1-CZ 4.37Å; Y176-F547 WeakPolarHBondContact O-CE1 3.47Å
177	N	95.4	Very high	94.6	Very high	19 Å²	19	16.5 Å²	16.5	10%	0.102	8%	0.082	C	C	.	.			trans	-65.3	100.7	177.3	-171.5	-19.8	0	0	0	110.7	W123 E174 A179	W123-N177 PolarHBondContact NE1-OD1 2.87Å; E174-N177 VanDerWaalsContact O-CB 3.25Å; E174-N177 WeakPolarHBondContact O-CB 3.16Å; E174-N177 PolarHBondContact O-N 2.83Å; E174-N177 VanDerWaalsContact O-N 3.12Å; E174-N177 PolarHBondContact OE1-ND2 3.11Å; N177-A179 PolarHBondContact O-N 3.48Å; N177-A179 WeakPolarHBondContact OD1-CB 3.4Å; N177-A179 PolarHBondContact OD1-N 3.03Å
178	G	97.2	Very high	94.8	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-3.7	-175.9	0	0	0	0	0	115.4	Y176 Y180 L181 A182	Y176-G178 PolarHBondContact O-N 3.17Å; G178-Y180 PolarHBondContact O-N 3.33Å; G178-L181 PolarHBondContact O-N 2.94Å; G178-A182 VanDerWaalsContact O-CB 3.28Å; G178-A182 WeakPolarHBondContact O-CB 3.42Å; G178-A182 PolarHBondContact O-N 3.14Å
179	A	96.5	Very high	95.1	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-64.1	-38.4	-172.8	0	0	0	0	0	113.1	I44 V49 W123 N177 G183	I44-A179 HydrophobicContact CD1-CB 3.42Å; I44-A179 VanDerWaalsContact CD1-CB 3.42Å; V49-A179 HydrophobicContact CG1-CB 4.21Å; W123-A179 VanDerWaalsContact CD1-CB 3.49Å; W123-A179 HydrophobicContact CG-CB 4.31Å; N177-A179 PolarHBondContact O-N 3.48Å; N177-A179 WeakPolarHBondContact OD1-CB 3.4Å; N177-A179 PolarHBondContact OD1-N 3.03Å; A179-G183 PolarHBondContact O-N 3.34Å
180	Y	96.1	Very high	95.2	Very high	18 Å²	18	12.9 Å²	12.9	7%	0.071	6%	0.063	C	C	.	.	H	α-helix	trans	-73.7	-44.2	-178.8	-68.6	-88.8	0	0	0	111.5	I44 G178 G183 K184 F547 F551 N552	I44-Y180 HydrophobicContact CG2-CD1 3.6Å; I44-Y180 HydrophobicContact CG2-CE1 3.64Å; I44-Y180 HydrophobicContact CG2-CG 4.41Å; G178-Y180 PolarHBondContact O-N 3.33Å; Y180-G183 PolarHBondContact O-N 2.87Å; Y180-K184 WeakPolarHBondContact O-CB 3.48Å; Y180-K184 PolarHBondContact O-N 3.39Å; Y180-F547 WeakPolarHBondContact CB-O 3.39Å; Y180-F551 HydrophobicContact CD1-CB 3.75Å; Y180-F551 HydrophobicContact CE1-CB 4.25Å; Y180-F551 WeakPolarHBondContact CE1-O 3.47Å; Y180-F551 HydrophobicContact CG-CB 4.49Å; Y180-N552 HydrophobicContact CD2-CB 3.85Å; Y180-N552 HydrophobicContact CE1-CB 4.27Å; Y180-N552 HydrophobicContact CE2-CB 3.39Å; Y180-N552 HydrophobicContact CG-CB 4.48Å; Y180-N552 VanDerWaalsContact CZ-CA 3.42Å; Y180-N552 PolarHBondContact OH-OD1 3.07Å
181	L	96.7	Very high	95.3	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-59.2	-50	173.4	-178.2	57.8	0	0	0	111.5	M158 G178 G183 M185 V187 V189 M574 T578	M158-L181 HydrophobicContact CE-CD2 4.4Å; M158-L181 HydrophobicContact SD-CD2 4.22Å; G178-L181 PolarHBondContact O-N 2.94Å; L181-G183 PolarHBondContact O-N 3Å; L181-M185 HydrophobicContact CD1-CB 4.31Å; L181-M185 HydrophobicContact CD1-CG 4.02Å; L181-M185 WeakPolarHBondContact O-CB 3.37Å; L181-M185 PolarHBondContact O-N 2.89Å; L181-V187 HydrophobicContact CG-CG2 4.12Å; L181-V189 HydrophobicContact CB-CG2 4.12Å; L181-V189 HydrophobicContact CD2-CG2 3.86Å; L181-V189 HydrophobicContact CG-CG2 3.91Å; L181-M574 HydrophobicContact CD1-CB 4.1Å; L181-M574 HydrophobicContact CD1-CG 3.87Å; L181-M574 HydrophobicContact CD1-SD 4.05Å; L181-T578 HydrophobicContact CD1-CG2 3.58Å; L181-T578 HydrophobicContact CG-CG2 4.4Å
182	A	95.7	Very high	95.4	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-61.1	-44.3	177.1	0	0	0	0	0	112.4	W123 G178 N186 V187 V189	W123-A182 HydrophobicContact CB-CB 3.94Å; G178-A182 VanDerWaalsContact O-CB 3.28Å; G178-A182 WeakPolarHBondContact O-CB 3.42Å; G178-A182 PolarHBondContact O-N 3.14Å; A182-N186 WeakPolarHBondContact O-CA 3.42Å; A182-N186 PolarHBondContact O-N 2.73Å; A182-V187 WeakPolarHBondContact CA-O 3.36Å; A182-V187 WeakPolarHBondContact CB-O 3.21Å; A182-V189 HydrophobicContact CB-CG2 4.1Å
183	G	93.1	Very high	95.6	Very high	2 Å²	2	12.2 Å²	12.2	2%	0.021	6%	0.059	C	C	.	.	H	α-helix	trans	-66.9	-49.8	-178.2	0	0	0	0	0	113.7	R125 A179 Y180 L181	R125-G183 WeakPolarHBondContact CD-O 3.42Å; R125-G183 PolarHBondContact NH1-O 3.09Å; A179-G183 PolarHBondContact O-N 3.34Å; Y180-G183 PolarHBondContact O-N 2.87Å; L181-G183 PolarHBondContact O-N 3Å
184	K	91.9	Very high	95.8	Very high	61 Å²	61	11.9 Å²	11.9	27%	0.265	6%	0.057	S	C	.	.	H	α-helix	trans	-72.7	-46.6	-178.9	-89.7	-172.8	157.1	-72.9	0	112.2	Y180 F551 E571 M574	Y180-K184 WeakPolarHBondContact O-CB 3.48Å; Y180-K184 PolarHBondContact O-N 3.39Å; K184-F551 HydrophobicContact CD-CD2 4.15Å; K184-F551 HydrophobicContact CD-CE2 4.19Å; K184-F551 HydrophobicContact CD-CG 4.39Å; K184-F551 HydrophobicContact CD-CZ 4.43Å; K184-E571 IonicContact NZ-OE1 3.73Å; K184-E571 PolarHBondContact NZ-OE1 3.34Å; K184-M574 HydrophobicContact CD-CE 3.74Å
185	M	92.3	Very high	96	Very high	28 Å²	28	9.7 Å²	9.7	14%	0.138	5%	0.047	C	C	.	.	H	α-helix	trans	-99.8	0.8	-168.9	-59.2	-50.7	174.7	0	0	114.9	L181 V187 E571 M574 Q575 T578	L181-M185 HydrophobicContact CD1-CB 4.31Å; L181-M185 HydrophobicContact CD1-CG 4.02Å; L181-M185 WeakPolarHBondContact O-CB 3.37Å; L181-M185 PolarHBondContact O-N 2.89Å; M185-V187 VanDerWaalsContact C-N 3.33Å; M185-V187 PolarHBondContact O-N 2.81Å; M185-E571 HydrophobicContact CE-CG 4.25Å; M185-E571 WeakPolarHBondContact CE-O 3Å; M185-M574 HydrophobicContact CE-CB 3.31Å; M185-M574 HydrophobicContact CE-CE 4.08Å; M185-M574 HydrophobicContact CE-CG 4.46Å; M185-M574 HydrophobicContact CG-CB 3.87Å; M185-M574 HydrophobicContact SD-CB 4.35Å; M185-Q575 HydrophobicContact CE-CB 4.23Å; M185-T578 HydrophobicContact CB-CG2 3.53Å; M185-T578 HydrophobicContact CG-CG2 3.89Å
186	N	90.7	Very high	96.2	Very high	58 Å²	58	9.7 Å²	9.7	31%	0.31	5%	0.047	S	C	.	.			trans	57.4	42.8	176.8	-163.8	41	0	0	0	114.1	R125 R155 A182	R125-N186 VanDerWaalsContact CZ-OD1 3.29Å; R125-N186 PolarHBondContact NE-OD1 3.09Å; R125-N186 VanDerWaalsContact NH2-CB 3.32Å; R125-N186 PolarHBondContact NH2-ND2 2.8Å; R125-N186 PolarHBondContact NH2-OD1 3.09Å; R155-N186 VanDerWaalsContact CD-O 3.26Å; R155-N186 WeakPolarHBondContact CD-O 3.4Å; R155-N186 WeakPolarHBondContact CD-OD1 3.49Å; R155-N186 WeakPolarHBondContact CG-O 3.32Å; R155-N186 PolarHBondContact NH1-OD1 2.98Å; A182-N186 WeakPolarHBondContact O-CA 3.42Å; A182-N186 PolarHBondContact O-N 2.73Å
187	V	94.8	Very high	96.3	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.006	5%	0.046	C	C	.	.			trans	-111	164.4	171.6	-65.4	0	0	0	0	110	P156 M158 L181 A182 M185 V189 T578	P156-V187 HydrophobicContact CB-CG1 4.18Å; P156-V187 HydrophobicContact CG-CG1 4.25Å; M158-V187 HydrophobicContact SD-CG2 4.19Å; L181-V187 HydrophobicContact CG-CG2 4.12Å; A182-V187 WeakPolarHBondContact CA-O 3.36Å; A182-V187 WeakPolarHBondContact CB-O 3.21Å; M185-V187 VanDerWaalsContact C-N 3.33Å; M185-V187 PolarHBondContact O-N 2.81Å; V187-V189 HydrophobicContact CG2-CG2 3.92Å; V187-T578 HydrophobicContact CG1-CG2 3.81Å; V187-T578 HydrophobicContact CG2-CG2 3.96Å
188	V	97.4	Very high	96.3	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	125.2	164.6	-179.5	0	0	0	0	107.6	I122 W123 R155 P156 V157 M158 V190 I229	I122-V188 HydrophobicContact CG2-CG1 3.82Å; W123-V188 WeakPolarHBondContact O-CA 3.33Å; R155-V188 HydrophobicContact CB-CG2 4.31Å; P156-V188 PolarHBondContact O-N 3.24Å; V157-V188 CarbonylContact C-O 3.2Å; V157-V188 WeakPolarHBondContact CA-O 3.21Å; V157-V188 HydrophobicContact CG2-CB 4.32Å; M158-V188 PolarHBondContact N-O 3.18Å; V188-V190 HydrophobicContact CG1-CG2 4.4Å; V188-I229 HydrophobicContact CG1-CD1 3.69Å; V188-I229 HydrophobicContact CG1-CG1 4.06Å
189	V	98.7	Very high	96.4	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	131.3	177.2	-175.3	0	0	0	0	108.2	I122 W123 M158 L181 A182 V187 F547	I122-V189 CarbonylContact C-O 3.54Å; I122-V189 WeakPolarHBondContact CA-O 3.21Å; W123-V189 HydrophobicContact CB-CB 4.44Å; W123-V189 HydrophobicContact CE3-CB 4.33Å; W123-V189 HydrophobicContact CE3-CG1 4.24Å; W123-V189 PolarHBondContact N-O 2.86Å; W123-V189 PolarHBondContact O-N 2.83Å; M158-V189 CarbonylContact O-C 3.47Å; M158-V189 WeakPolarHBondContact O-CA 3.36Å; L181-V189 HydrophobicContact CB-CG2 4.12Å; L181-V189 HydrophobicContact CD2-CG2 3.86Å; L181-V189 HydrophobicContact CG-CG2 3.91Å; A182-V189 HydrophobicContact CB-CG2 4.1Å; V187-V189 HydrophobicContact CG2-CG2 3.92Å; V189-F547 HydrophobicContact CG1-CE1 4.34Å
190	V	98.8	Very high	96.4	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	140.1	174.4	-175.9	0	0	0	0	108.5	L120 N121 I122 V157 M158 V159 W160 V188 I192 V225 I229	L120-V190 HydrophobicContact CB-CG1 4.33Å; L120-V190 HydrophobicContact CD1-CG1 4.45Å; N121-V190 CarbonylContact O-C 3.55Å; N121-V190 WeakPolarHBondContact O-CA 3.49Å; N121-V190 WeakPolarHBondContact O-CG1 3.41Å; I122-V190 HydrophobicContact CG1-CG2 4.33Å; V157-V190 HydrophobicContact CG1-CG2 3.95Å; M158-V190 PolarHBondContact O-N 3.07Å; V159-V190 CarbonylContact C-O 3.58Å; V159-V190 WeakPolarHBondContact CA-O 3.29Å; V159-V190 HydrophobicContact CG1-CB 4.43Å; V159-V190 HydrophobicContact CG1-CG1 4.5Å; V159-V190 HydrophobicContact CG2-CB 4.16Å; W160-V190 PolarHBondContact N-O 3.15Å; V188-V190 HydrophobicContact CG1-CG2 4.4Å; V190-I192 HydrophobicContact CG1-CG1 4.3Å; V190-V225 HydrophobicContact CG1-CG2 3.84Å; V190-V225 HydrophobicContact CG2-CG2 4.4Å; V190-I229 HydrophobicContact CG2-CD1 3.68Å
191	S	98.7	Very high	96.5	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	139.1	166.8	68.8	0	0	0	0	110.3	L120 N121 W123 S171	L120-S191 CarbonylContact C-O 3.5Å; L120-S191 WeakPolarHBondContact CA-O 3.31Å; L120-S191 WeakPolarHBondContact CB-O 3.32Å; N121-S191 PolarHBondContact N-O 2.9Å; N121-S191 PolarHBondContact ND2-OG 2.69Å; N121-S191 VanDerWaalsContact ND2-OG 3.1Å; N121-S191 PolarHBondContact O-N 2.95Å; W123-S191 WeakPolarHBondContact CZ3-OG 3.22Å; S171-S191 WeakPolarHBondContact CB-OG 3.32Å; S171-S191 PolarHBondContact O-OG 2.84Å
192	I	98.4	Very high	96.5	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	131.3	-173.3	-65.4	174.1	0	0	0	109.5	F57 L120 V159 W160 I161 V190 L222	F57-I192 HydrophobicContact CE1-CG2 3.89Å; F57-I192 HydrophobicContact CZ-CG2 4.02Å; L120-I192 HydrophobicContact CB-CG1 4.21Å; V159-I192 HydrophobicContact CG1-CD1 3.44Å; V159-I192 VanDerWaalsContact CG1-CD1 3.44Å; V159-I192 HydrophobicContact CG1-CG1 4Å; W160-I192 PolarHBondContact O-N 3.15Å; I161-I192 HydrophobicContact CD1-CB 4.3Å; I161-I192 HydrophobicContact CD1-CD1 4.32Å; V190-I192 HydrophobicContact CG1-CG1 4.3Å; I192-L222 HydrophobicContact CD1-CD2 4.22Å
193	Q	98.3	Very high	96.5	Very high	1 Å²	1	9.5 Å²	9.5	1%	0.005	5%	0.045	C	C	.	.			trans	-78.8	145.5	162.8	-62.8	-67	56.8	0	0	110.5	F57 P86 N87 C117 Y119 S170 S171	F57-Q193 WeakPolarHBondContact CE1-O 3.48Å; F57-Q193 VanDerWaalsContact CZ-O 3.22Å; F57-Q193 WeakPolarHBondContact CZ-O 3.39Å; P86-Q193 HydrophobicContact CG-CG 4.34Å; N87-Q193 PolarHBondContact O-NE2 3.08Å; C117-Q193 WeakPolarHBondContact O-CB 2.91Å; C117-Q193 WeakPolarHBondContact O-CG 3.14Å; Y119-Q193 WeakPolarHBondContact O-CB 3.4Å; Y119-Q193 WeakPolarHBondContact O-CG 3.46Å; Y119-Q193 PolarHBondContact O-N 2.88Å; S170-Q193 PolarHBondContact OG-NE2 3.21Å; S170-Q193 VanDerWaalsContact OG-NE2 3.08Å; S171-Q193 WeakPolarHBondContact OG-CG 3.27Å; S171-Q193 PolarHBondContact OG-OE1 3.42Å
194	Y	98.7	Very high	96.4	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.047	C	C	.	.			trans	-144.7	153.1	172	62.4	-83	0	0	0	110.3	C89 I161 H162 L166 L196 G214 Q218	C89-Y194 PolarHBondContact SG-O 2.95Å; I161-Y194 HydrophobicContact CG2-CD1 4.31Å; I161-Y194 HydrophobicContact CG2-CE1 3.8Å; H162-Y194 AromaticContact CD2-CE1 3.64Å; H162-Y194 AromaticContact CE1-CE1 3.49Å; H162-Y194 VanDerWaalsContact CE1-CE1 3.49Å; H162-Y194 WeakPolarHBondContact CE1-CE1 3.47Å; H162-Y194 AromaticContact CE1-CZ 3.82Å; H162-Y194 AromaticContact CG-CE1 3.94Å; H162-Y194 AromaticContact ND1-CE1 3.85Å; H162-Y194 AromaticContact NE2-CD1 3.63Å; H162-Y194 AromaticContact NE2-CE1 3.37Å; H162-Y194 WeakPolarHBondContact NE2-CE1 3.43Å; H162-Y194 PolarHBondContact O-OH 3.17Å; L166-Y194 HydrophobicContact CD2-CE2 4.07Å; Y194-L196 HydrophobicContact CD2-CD2 4.01Å; Y194-L196 HydrophobicContact CE2-CD2 3.44Å; Y194-L196 VanDerWaalsContact CE2-CD2 3.44Å; Y194-G214 WeakPolarHBondContact CB-O 3.39Å; Y194-Q218 HydrophobicContact CD1-CG 4.22Å; Y194-Q218 VanDerWaalsContact CD2-NE2 3.34Å; Y194-Q218 HydrophobicContact CG-CG 4.02Å
195	R	98.7	Very high	96.2	Very high	7 Å²	7	9 Å²	9	3%	0.026	5%	0.054	C	C	.	.			trans	-64	144.2	179	-73.9	172.5	-76.7	177.3	-2.7	111.5	P61 R68 L118 D217	P61-R195 HydrophobicContact CG-CG 4.25Å; R68-R195 VanDerWaalsContact O-CZ 3.24Å; R68-R195 PolarHBondContact O-NH1 2.85Å; R68-R195 PolarHBondContact O-NH2 3.42Å; L118-R195 HydrophobicContact CD2-CG 4.25Å; R195-D217 VanDerWaalsContact CB-OD2 3.23Å; R195-D217 WeakPolarHBondContact CB-OD2 3.22Å; R195-D217 VanDerWaalsContact CG-OD2 3.28Å; R195-D217 WeakPolarHBondContact CG-OD2 3.48Å; R195-D217 IonicContact CZ-OD1 2.84Å; R195-D217 VanDerWaalsContact CZ-OD1 3.32Å; R195-D217 IonicContact CZ-OD2 3.51Å; R195-D217 PolarHBondContact N-OD2 3.15Å; R195-D217 IonicContact NE-OD1 3Å; R195-D217 PolarHBondContact NE-OD1 3.17Å; R195-D217 IonicContact NE-OD2 3.76Å; R195-D217 PolarHBondContact NE-OD2 2.77Å; R195-D217 IonicContact NH2-OD1 3.89Å; R195-D217 PolarHBondContact NH2-OD1 3.2Å; R195-D217 IonicContact NH2-OD2 2.85Å
196	L	97.6	Very high	96	Very high	2 Å²	2	9.4 Å²	9.4	1%	0.01	6%	0.057	C	C	.	.			trans	-119.7	164.2	-174.1	-60.4	168.6	0	0	0	111.1	Q91 L166 R168 Y194 L199 G200	Q91-L196 HydrophobicContact CB-CD1 4.42Å; L166-L196 CarbonylContact O-C 3.41Å; L166-L196 WeakPolarHBondContact O-CA 3.41Å; L166-L196 WeakPolarHBondContact O-CB 3.3Å; R168-L196 VanDerWaalsContact C-CD1 3.49Å; Y194-L196 HydrophobicContact CD2-CD2 4.01Å; Y194-L196 HydrophobicContact CE2-CD2 3.44Å; Y194-L196 VanDerWaalsContact CE2-CD2 3.44Å; L196-L199 PolarHBondContact O-N 2.83Å; L196-L199 VanDerWaalsContact O-N 3.15Å; L196-G200 PolarHBondContact O-N 2.76Å; L196-G200 VanDerWaalsContact O-N 3.08Å
197	G	96	Very high	95.9	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.01	8%	0.083	C	C	.	.	H	α-helix	trans	51.5	-137.6	174.4	0	0	0	0	0	112.2	L166 L199 G200 F201	L166-G197 PolarHBondContact O-N 3.39Å; G197-L199 PolarHBondContact O-N 2.68Å; G197-G200 PolarHBondContact O-N 3.32Å; G197-F201 PolarHBondContact O-N 2.85Å
198	P	96.6	Very high	95.7	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-63.5	-28.8	179.8	25.7	-33.5	0	0	0	112.8	G200 L202 L293 L325 F371	P198-G200 VanDerWaalsContact C-N 3.27Å; P198-G200 PolarHBondContact O-N 3.43Å; P198-L202 HydrophobicContact CB-CD1 4.49Å; P198-L202 WeakPolarHBondContact O-CB 3.26Å; P198-L202 PolarHBondContact O-N 3.29Å; P198-L293 HydrophobicContact CB-CD2 3.53Å; P198-L293 HydrophobicContact CG-CD2 4.33Å; P198-L325 HydrophobicContact CG-CB 4.16Å; P198-F371 HydrophobicContact CB-CD2 4.41Å; P198-F371 HydrophobicContact CB-CE1 4.39Å; P198-F371 HydrophobicContact CB-CE2 3.86Å; P198-F371 HydrophobicContact CB-CZ 3.87Å; P198-F371 HydrophobicContact CG-CE2 4.24Å
199	L	98	Very high	95.6	Very high	7 Å²	7	17 Å²	17	4%	0.037	10%	0.096	C	C	.	.	H	α-helix	trans	-71.6	-25.7	179.6	-61.1	170.7	0	0	0	112.4	R66 F67 M90 E115 L196 G197 L325	R66-L199 HydrophobicContact CG-CD2 4.03Å; F67-L199 HydrophobicContact CE1-CD2 3.8Å; F67-L199 HydrophobicContact CZ-CD2 4.23Å; M90-L199 HydrophobicContact CB-CD1 3.59Å; M90-L199 HydrophobicContact CG-CD1 4.13Å; E115-L199 HydrophobicContact CG-CD1 4.3Å; L196-L199 PolarHBondContact O-N 2.83Å; L196-L199 VanDerWaalsContact O-N 3.15Å; G197-L199 PolarHBondContact O-N 2.68Å; L199-L325 HydrophobicContact CD2-CD1 4.12Å
200	G	98	Very high	95.4	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-101.3	-19.1	-179.5	0	0	0	0	0	115.5	L196 G197 P198 Q213 G214	L196-G200 PolarHBondContact O-N 2.76Å; L196-G200 VanDerWaalsContact O-N 3.08Å; G197-G200 PolarHBondContact O-N 3.32Å; P198-G200 VanDerWaalsContact C-N 3.27Å; P198-G200 PolarHBondContact O-N 3.43Å; G200-Q213 VanDerWaalsContact C-OE1 3.28Å; G200-Q213 CarbonylContact O-C 3.36Å; G200-Q213 WeakPolarHBondContact O-CA 3.39Å; G200-Q213 WeakPolarHBondContact O-CB 3.39Å; G200-Q213 PolarHBondContact O-N 2.92Å; G200-Q213 PolarHBondContact O-OE1 2.94Å; G200-G214 PolarHBondContact O-N 2.9Å
201	F	97.3	Very high	95.3	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.009	10%	0.101	C	C	.	.	H	α-helix	trans	-142.3	10.8	-166.9	-62.1	-81.6	0	0	0	114.4	L166 G197 L215 F371 P373	L166-F201 HydrophobicContact CB-CD2 4.39Å; L166-F201 HydrophobicContact CB-CE2 3.87Å; L166-F201 HydrophobicContact CB-CZ 4.31Å; L166-F201 HydrophobicContact CD1-CE1 4.46Å; L166-F201 HydrophobicContact CD1-CE2 4.47Å; L166-F201 HydrophobicContact CD1-CZ 4.18Å; L166-F201 HydrophobicContact CD2-CE2 4.32Å; L166-F201 HydrophobicContact CD2-CZ 4.02Å; L166-F201 HydrophobicContact CG-CE2 4.47Å; L166-F201 HydrophobicContact CG-CZ 4.42Å; G197-F201 PolarHBondContact O-N 2.85Å; F201-L215 HydrophobicContact CE1-CD1 4.39Å; F201-L215 HydrophobicContact CE1-CG 4.15Å; F201-F371 HydrophobicContact CB-CB 3.96Å; F201-P373 HydrophobicContact CD1-CG 4.44Å; F201-P373 HydrophobicContact CE1-CG 4Å
202	L	96.3	Very high	95.2	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.101	C	C	.	.			trans	-65.8	142.6	173	-162.9	72.6	0	0	0	110.9	F67 P198 I209 G211 Q213 T290 L293 L317 F371	F67-L202 HydrophobicContact CD1-CB 4.3Å; F67-L202 HydrophobicContact CD1-CD2 4.05Å; F67-L202 HydrophobicContact CE1-CD2 3.88Å; F67-L202 HydrophobicContact CZ-CD2 4.22Å; P198-L202 HydrophobicContact CB-CD1 4.49Å; P198-L202 WeakPolarHBondContact O-CB 3.26Å; P198-L202 PolarHBondContact O-N 3.29Å; L202-I209 HydrophobicContact CB-CG2 4.03Å; L202-I209 HydrophobicContact CD2-CD1 4.2Å; L202-I209 HydrophobicContact CD2-CG2 4.2Å; L202-I209 HydrophobicContact CG-CG2 4.11Å; L202-I209 WeakPolarHBondContact O-CG2 3.39Å; L202-G211 VanDerWaalsContact O-CA 3.23Å; L202-G211 WeakPolarHBondContact O-CA 3.26Å; L202-G211 PolarHBondContact O-N 3.44Å; L202-Q213 PolarHBondContact O-NE2 2.78Å; L202-Q213 PolarHBondContact O-OE1 3.09Å; L202-T290 HydrophobicContact CD1-CG2 3.69Å; L202-T290 VanDerWaalsContact CD1-OG1 3.29Å; L202-T290 WeakPolarHBondContact CD1-OG1 3.26Å; L202-T290 HydrophobicContact CD2-CG2 4.22Å; L202-T290 HydrophobicContact CG-CG2 3.79Å; L202-L293 HydrophobicContact CD1-CD2 3.64Å; L202-L317 HydrophobicContact CD2-CD1 4.03Å; L202-F371 HydrophobicContact CD1-CE1 3.79Å; L202-F371 HydrophobicContact CD1-CZ 4.2Å
203	Y	95.4	Very high	95.2	Very high	30 Å²	30	17.8 Å²	17.8	12%	0.118	10%	0.101	C	C	.	.	B	Isolated β-bridge	trans	-135.6	121.3	-173.1	177.5	-96.3	0	0	0	111.9	G205 P210 S283 A286 L287 T290 V374	Y203-G205 WeakPolarHBondContact OH-CA 3.19Å; Y203-P210 WeakPolarHBondContact CD2-O 3.32Å; Y203-P210 VanDerWaalsContact CE2-O 3.3Å; Y203-P210 WeakPolarHBondContact CE2-O 3.44Å; Y203-S283 WeakPolarHBondContact CD1-O 3.35Å; Y203-S283 WeakPolarHBondContact CE1-O 3.28Å; Y203-S283 WeakPolarHBondContact OH-CB 3.39Å; Y203-A286 HydrophobicContact CD1-CB 3.87Å; Y203-A286 HydrophobicContact CG-CB 4.03Å; Y203-L287 HydrophobicContact CD1-CD2 3.78Å; Y203-L287 HydrophobicContact CD1-CG 3.66Å; Y203-L287 HydrophobicContact CE1-CD1 4Å; Y203-L287 HydrophobicContact CE1-CD2 3.82Å; Y203-L287 HydrophobicContact CE1-CG 3.59Å; Y203-T290 PolarHBondContact N-OG1 3.35Å; Y203-T290 WeakPolarHBondContact O-CB 3.4Å; Y203-T290 PolarHBondContact O-OG1 2.95Å; Y203-V374 HydrophobicContact CD1-CG1 4.46Å; Y203-V374 HydrophobicContact CD2-CB 4.38Å; Y203-V374 HydrophobicContact CD2-CG1 3.99Å; Y203-V374 HydrophobicContact CD2-CG2 4.44Å; Y203-V374 HydrophobicContact CE2-CG1 4.2Å; Y203-V374 HydrophobicContact CG-CG1 4.14Å; Y203-V374 HydrophobicContact CG-CG2 4.3Å
204	L	92.8	Very high	95.2	Very high	11 Å²	11	17.8 Å²	17.8	6%	0.058	10%	0.101	C	C	.	.			trans	-113.5	-7.4	167.2	-67.6	179.4	0	0	0	113.1	N206 I209 T290 Y309 L313 V314	L204-N206 VanDerWaalsContact C-N 3.27Å; L204-N206 PolarHBondContact O-N 3.41Å; L204-I209 HydrophobicContact CB-CB 4.02Å; L204-I209 HydrophobicContact CB-CG2 4.48Å; L204-I209 HydrophobicContact CD1-CB 4.03Å; L204-I209 HydrophobicContact CD1-CD1 3.66Å; L204-I209 HydrophobicContact CD1-CG1 3.99Å; L204-I209 HydrophobicContact CG-CB 4Å; L204-I209 HydrophobicContact CG-CD1 4.27Å; L204-I209 HydrophobicContact CG-CG1 4.48Å; L204-I209 HydrophobicContact CG-CG2 4.23Å; L204-I209 PolarHBondContact N-O 3.17Å; L204-T290 HydrophobicContact CD2-CG2 3.34Å; L204-T290 HydrophobicContact CG-CG2 4.01Å; L204-Y309 HydrophobicContact CD2-CD2 3.44Å; L204-Y309 VanDerWaalsContact CD2-CD2 3.44Å; L204-Y309 HydrophobicContact CD2-CE2 3.99Å; L204-Y309 HydrophobicContact CD2-CG 3.77Å; L204-L313 HydrophobicContact CD1-CD2 4.34Å; L204-L313 HydrophobicContact CD2-CD2 3.95Å; L204-V314 HydrophobicContact CD1-CG2 3.76Å
205	G	86	Confident	95.2	Very high	40 Å²	40	17.8 Å²	17.8	41%	0.412	10%	0.101	S	C	.	.	S	Bend	trans	67.8	25.4	-178.2	0	0	0	0	0	114	Y203 I209	Y203-G205 WeakPolarHBondContact OH-CA 3.19Å; G205-I209 PolarHBondContact N-O 3.07Å
206	N	88.7	Confident	95.2	Very high	37 Å²	37	18.7 Å²	18.7	20%	0.198	11%	0.106	C	C	.	.	S	Bend	trans	-123.6	171.6	173.2	66.3	23.8	0	0	0	110.4	L204 E208 I209 P210	L204-N206 VanDerWaalsContact C-N 3.27Å; L204-N206 PolarHBondContact O-N 3.41Å; N206-E208 PolarHBondContact O-N 3.17Å; N206-E208 PolarHBondContact OD1-N 3.23Å; N206-I209 CarbonylContact O-C 3.29Å; N206-I209 PolarHBondContact O-N 2.82Å; N206-I209 PolarHBondContact OD1-N 3.48Å; N206-P210 WeakPolarHBondContact O-CA 3.36Å; N206-P210 WeakPolarHBondContact O-CB 3.42Å; N206-P210 VanDerWaalsContact O-N 3.11Å
207	D	88	Confident	95.3	Very high	159 Å²	159	18.6 Å²	18.6	85%	0.85	11%	0.106	S	C	*	.	S	Bend	trans	-65.9	-19.2	-175.5	-61.1	-24.3	0	0	0	113.8
208	E	91.5	Very high	95.4	Very high	59 Å²	59	18.6 Å²	18.6	28%	0.276	11%	0.105	S	C	.	.	S	Bend	trans	-83.6	-42.5	-179.2	-64.2	-71.9	139.7	0	0	112.2	F67 R68 N206 P210 V314	F67-E208 CarbonylContact C-O 3.25Å; R68-E208 WeakPolarHBondContact CG-O 3.27Å; R68-E208 IonicContact CZ-OE1 2.99Å; R68-E208 IonicContact CZ-OE2 2.8Å; R68-E208 IonicContact NE-OE1 2.77Å; R68-E208 IonicContact NE-OE2 2.88Å; R68-E208 PolarHBondContact NE-OE2 3.1Å; R68-E208 IonicContact NH2-OE1 3.9Å; R68-E208 PolarHBondContact NH2-OE1 2.92Å; R68-E208 IonicContact NH2-OE2 3.31Å; R68-E208 PolarHBondContact NH2-OE2 3.39Å; N206-E208 PolarHBondContact O-N 3.17Å; N206-E208 PolarHBondContact OD1-N 3.23Å; E208-P210 VanDerWaalsContact C-CD 3.43Å; E208-V314 HydrophobicContact CB-CG1 3.98Å; E208-V314 HydrophobicContact CB-CG2 4.2Å; E208-V314 HydrophobicContact CG-CG1 4.42Å
209	I	95.2	Very high	95.5	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	-130	70.4	178.6	-47.9	-165.5	0	0	0	108.6	F67 L202 L204 G205 N206 G211 V314 L317	F67-I209 HydrophobicContact CB-CB 4.31Å; F67-I209 HydrophobicContact CB-CD1 3.85Å; F67-I209 HydrophobicContact CB-CG1 3.71Å; F67-I209 HydrophobicContact CB-CG2 4.09Å; F67-I209 HydrophobicContact CD2-CD1 3.73Å; F67-I209 HydrophobicContact CD2-CG1 4.44Å; F67-I209 HydrophobicContact CE2-CD1 4.48Å; F67-I209 HydrophobicContact CG-CD1 3.9Å; F67-I209 HydrophobicContact CG-CG1 4.33Å; L202-I209 HydrophobicContact CB-CG2 4.03Å; L202-I209 HydrophobicContact CD2-CD1 4.2Å; L202-I209 HydrophobicContact CD2-CG2 4.2Å; L202-I209 HydrophobicContact CG-CG2 4.11Å; L202-I209 WeakPolarHBondContact O-CG2 3.39Å; L204-I209 HydrophobicContact CB-CB 4.02Å; L204-I209 HydrophobicContact CB-CG2 4.48Å; L204-I209 HydrophobicContact CD1-CB 4.03Å; L204-I209 HydrophobicContact CD1-CD1 3.66Å; L204-I209 HydrophobicContact CD1-CG1 3.99Å; L204-I209 HydrophobicContact CG-CB 4Å; L204-I209 HydrophobicContact CG-CD1 4.27Å; L204-I209 HydrophobicContact CG-CG1 4.48Å; L204-I209 HydrophobicContact CG-CG2 4.23Å; L204-I209 PolarHBondContact N-O 3.17Å; G205-I209 PolarHBondContact N-O 3.07Å; N206-I209 CarbonylContact O-C 3.29Å; N206-I209 PolarHBondContact O-N 2.82Å; N206-I209 PolarHBondContact OD1-N 3.48Å; I209-G211 PolarHBondContact O-N 2.78Å; I209-V314 HydrophobicContact CD1-CG1 4.31Å; I209-V314 HydrophobicContact CD1-CG2 4.3Å; I209-V314 HydrophobicContact CG1-CG1 4.36Å; I209-V314 HydrophobicContact CG1-CG2 4.35Å; I209-L317 HydrophobicContact CD1-CD1 4.29Å
210	P	94.2	Very high	95.6	Very high	18 Å²	18	19.1 Å²	19.1	12%	0.117	11%	0.11	C	C	.	.	B	Isolated β-bridge	trans	-75.4	-10.7	-173.8	30.7	-38.9	0	0	0	114.1	Y69 Y203 N206 E208	Y69-P210 HydrophobicContact CD1-CG 3.82Å; Y69-P210 HydrophobicContact CD2-CG 4.29Å; Y69-P210 HydrophobicContact CE1-CB 4.18Å; Y69-P210 HydrophobicContact CE1-CG 3.32Å; Y69-P210 HydrophobicContact CE2-CB 4.28Å; Y69-P210 HydrophobicContact CE2-CG 3.83Å; Y69-P210 HydrophobicContact CG-CG 4.3Å; Y203-P210 WeakPolarHBondContact CD2-O 3.32Å; Y203-P210 VanDerWaalsContact CE2-O 3.3Å; Y203-P210 WeakPolarHBondContact CE2-O 3.44Å; N206-P210 WeakPolarHBondContact O-CA 3.36Å; N206-P210 WeakPolarHBondContact O-CB 3.42Å; N206-P210 VanDerWaalsContact O-N 3.11Å; E208-P210 VanDerWaalsContact C-CD 3.43Å
211	G	96.2	Very high	95.6	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	78.4	164.6	-170.3	0	0	0	0	0	113.2	Y69 L202 I209 Q213	Y69-G211 WeakPolarHBondContact CE1-O 3.22Å; Y69-G211 PolarHBondContact OH-O 3.21Å; Y69-G211 VanDerWaalsContact OH-O 3.07Å; L202-G211 VanDerWaalsContact O-CA 3.23Å; L202-G211 WeakPolarHBondContact O-CA 3.26Å; L202-G211 PolarHBondContact O-N 3.44Å; I209-G211 PolarHBondContact O-N 2.78Å; G211-Q213 VanDerWaalsContact C-N 3.29Å; G211-Q213 PolarHBondContact O-N 2.9Å
212	N	98.1	Very high	95.7	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.11	C	C	.	.			trans	62.8	28.2	-177.6	-59.9	-36.2	0	0	0	114.6	G214 L215 M216 P373 V374 S376	N212-G214 VanDerWaalsContact C-N 3.3Å; N212-G214 PolarHBondContact O-N 2.93Å; N212-L215 HydrophobicContact CB-CB 4.24Å; N212-L215 HydrophobicContact CB-CD1 4.04Å; N212-L215 PolarHBondContact O-N 3.18Å; N212-L215 VanDerWaalsContact O-N 3.09Å; N212-M216 WeakPolarHBondContact O-CG 3.39Å; N212-M216 PolarHBondContact O-N 3.31Å; N212-P373 VanDerWaalsContact OD1-CA 3.23Å; N212-P373 WeakPolarHBondContact OD1-CA 3.25Å; N212-V374 PolarHBondContact ND2-O 2.86Å; N212-V374 PolarHBondContact OD1-N 2.68Å; N212-S376 PolarHBondContact ND2-OG 2.82Å
213	Q	98.3	Very high	95.8	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-56.9	-43.4	178.5	-61.3	81.5	-2	0	0	112.1	F67 Y69 G200 L202 G211 L215 M216 D217	F67-Q213 WeakPolarHBondContact O-CG 3.21Å; F67-Q213 PolarHBondContact O-NE2 3.17Å; Y69-Q213 HydrophobicContact CD1-CG 4.38Å; G200-Q213 VanDerWaalsContact C-OE1 3.28Å; G200-Q213 CarbonylContact O-C 3.36Å; G200-Q213 WeakPolarHBondContact O-CA 3.39Å; G200-Q213 WeakPolarHBondContact O-CB 3.39Å; G200-Q213 PolarHBondContact O-N 2.92Å; G200-Q213 PolarHBondContact O-OE1 2.94Å; L202-Q213 PolarHBondContact O-NE2 2.78Å; L202-Q213 PolarHBondContact O-OE1 3.09Å; G211-Q213 VanDerWaalsContact C-N 3.29Å; G211-Q213 PolarHBondContact O-N 2.9Å; Q213-L215 VanDerWaalsContact C-N 3.3Å; Q213-L215 PolarHBondContact O-N 2.8Å; Q213-M216 CarbonylContact O-C 3.57Å; Q213-M216 WeakPolarHBondContact O-CA 3.42Å; Q213-M216 PolarHBondContact O-N 2.86Å; Q213-M216 VanDerWaalsContact O-N 3.1Å; Q213-D217 PolarHBondContact O-N 3.4Å
214	G	98.4	Very high	95.9	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-64.3	-31.6	177.1	0	0	0	0	0	113.1	Y194 G200 N212 D217 Q218	Y194-G214 WeakPolarHBondContact CB-O 3.39Å; G200-G214 PolarHBondContact O-N 2.9Å; N212-G214 VanDerWaalsContact C-N 3.3Å; N212-G214 PolarHBondContact O-N 2.93Å; G214-D217 WeakPolarHBondContact O-CB 3.4Å; G214-Q218 WeakPolarHBondContact O-CG 3.28Å; G214-Q218 PolarHBondContact O-N 2.98Å
215	L	98.8	Very high	96.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-73.4	-36.7	171.9	-71.8	166.4	0	0	0	111.3	F201 N212 Q213 D217 Q218 V219 C250 L253 P373 F379	F201-L215 HydrophobicContact CE1-CD1 4.39Å; F201-L215 HydrophobicContact CE1-CG 4.15Å; N212-L215 HydrophobicContact CB-CB 4.24Å; N212-L215 HydrophobicContact CB-CD1 4.04Å; N212-L215 PolarHBondContact O-N 3.18Å; N212-L215 VanDerWaalsContact O-N 3.09Å; Q213-L215 VanDerWaalsContact C-N 3.3Å; Q213-L215 PolarHBondContact O-N 2.8Å; L215-D217 VanDerWaalsContact C-N 3.32Å; L215-Q218 WeakPolarHBondContact O-CB 3.27Å; L215-Q218 PolarHBondContact O-N 2.84Å; L215-V219 WeakPolarHBondContact O-CG2 3.34Å; L215-V219 PolarHBondContact O-N 3.17Å; L215-C250 HydrophobicContact CD2-CB 3.74Å; L215-L253 HydrophobicContact CD1-CD1 4.16Å; L215-P373 HydrophobicContact CD1-CB 3.71Å; L215-P373 HydrophobicContact CD1-CG 3.97Å; L215-F379 HydrophobicContact CB-CD1 4.26Å; L215-F379 HydrophobicContact CB-CD2 3.96Å; L215-F379 HydrophobicContact CB-CE1 4.12Å; L215-F379 HydrophobicContact CB-CE2 3.83Å; L215-F379 HydrophobicContact CB-CG 4.2Å; L215-F379 HydrophobicContact CB-CZ 3.91Å; L215-F379 HydrophobicContact CD1-CD1 3.73Å; L215-F379 HydrophobicContact CD1-CE1 3.61Å; L215-F379 HydrophobicContact CD1-CG 4.38Å; L215-F379 HydrophobicContact CD1-CZ 4.18Å; L215-F379 HydrophobicContact CD2-CE1 4.01Å; L215-F379 HydrophobicContact CD2-CZ 3.84Å; L215-F379 HydrophobicContact CG-CD1 4.48Å; L215-F379 HydrophobicContact CG-CE1 4.12Å; L215-F379 HydrophobicContact CG-CZ 4.19Å
216	M	98.7	Very high	96.7	Very high	27 Å²	27	24 Å²	24	13%	0.133	12%	0.119	C	C	.	.	H	α-helix	trans	-69	-30.8	174.6	-65.2	-57	-67.2	0	0	112.5	Y69 P70 N212 Q213 Q218 V219 A220 I259 F379	Y69-M216 HydrophobicContact CD1-CB 3.74Å; Y69-M216 HydrophobicContact CD1-CG 3.47Å; Y69-M216 VanDerWaalsContact CD1-CG 3.47Å; Y69-M216 HydrophobicContact CD2-CE 4.19Å; Y69-M216 HydrophobicContact CD2-CG 4.21Å; Y69-M216 HydrophobicContact CE1-CB 4.11Å; Y69-M216 HydrophobicContact CE1-CG 3.36Å; Y69-M216 HydrophobicContact CE2-CE 4.36Å; Y69-M216 HydrophobicContact CE2-CG 4.14Å; Y69-M216 HydrophobicContact CG-CB 4.11Å; Y69-M216 HydrophobicContact CG-CE 4.49Å; Y69-M216 HydrophobicContact CG-CG 3.9Å; P70-M216 HydrophobicContact CG-CB 4.32Å; P70-M216 WeakPolarHBondContact CG-O 3.49Å; N212-M216 WeakPolarHBondContact O-CG 3.39Å; N212-M216 PolarHBondContact O-N 3.31Å; Q213-M216 CarbonylContact O-C 3.57Å; Q213-M216 WeakPolarHBondContact O-CA 3.42Å; Q213-M216 PolarHBondContact O-N 2.86Å; Q213-M216 VanDerWaalsContact O-N 3.1Å; M216-Q218 VanDerWaalsContact C-N 3.29Å; M216-Q218 PolarHBondContact O-N 2.91Å; M216-V219 WeakPolarHBondContact O-CB 3.42Å; M216-V219 PolarHBondContact O-N 3.36Å; M216-V219 HydrophobicContact SD-CG2 4.16Å; M216-A220 PolarHBondContact O-N 3.25Å; M216-I259 HydrophobicContact CE-CD1 3.89Å; M216-I259 HydrophobicContact SD-CD1 3.5Å; M216-I259 WeakPolarHBondContact SD-CD1 3.5Å; M216-F379 HydrophobicContact SD-CB 4.31Å; M216-F379 HydrophobicContact SD-CD2 3.98Å
217	D	98.9	Very high	97.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-58.3	-44.7	168.1	-62.1	-22.3	0	0	0	110.7	F57 L118 R195 Q213 G214 L215 A220 G221	F57-D217 HydrophobicContact CE2-CB 4.47Å; F57-D217 WeakPolarHBondContact CE2-O 3.42Å; F57-D217 HydrophobicContact CZ-CB 4.48Å; L118-D217 HydrophobicContact CD2-CB 3.97Å; L118-D217 WeakPolarHBondContact CD2-OD2 3.37Å; R195-D217 VanDerWaalsContact CB-OD2 3.23Å; R195-D217 WeakPolarHBondContact CB-OD2 3.22Å; R195-D217 VanDerWaalsContact CG-OD2 3.28Å; R195-D217 WeakPolarHBondContact CG-OD2 3.48Å; R195-D217 IonicContact CZ-OD1 2.84Å; R195-D217 VanDerWaalsContact CZ-OD1 3.32Å; R195-D217 IonicContact CZ-OD2 3.51Å; R195-D217 PolarHBondContact N-OD2 3.15Å; R195-D217 IonicContact NE-OD1 3Å; R195-D217 PolarHBondContact NE-OD1 3.17Å; R195-D217 IonicContact NE-OD2 3.76Å; R195-D217 PolarHBondContact NE-OD2 2.77Å; R195-D217 IonicContact NH2-OD1 3.89Å; R195-D217 PolarHBondContact NH2-OD1 3.2Å; R195-D217 IonicContact NH2-OD2 2.85Å; Q213-D217 PolarHBondContact O-N 3.4Å; G214-D217 WeakPolarHBondContact O-CB 3.4Å; L215-D217 VanDerWaalsContact C-N 3.32Å; D217-A220 PolarHBondContact O-N 3.3Å; D217-G221 PolarHBondContact O-N 2.86Å
218	Q	98.8	Very high	97.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-66.2	-39.5	176.1	-61.8	170.5	32.4	0	0	111.6	I161 Y194 G214 L215 M216 A220 G221 L222 C250 H254	I161-Q218 HydrophobicContact CD1-CG 4.24Å; Y194-Q218 HydrophobicContact CD1-CG 4.22Å; Y194-Q218 VanDerWaalsContact CD2-NE2 3.34Å; Y194-Q218 HydrophobicContact CG-CG 4.02Å; G214-Q218 WeakPolarHBondContact O-CG 3.28Å; G214-Q218 PolarHBondContact O-N 2.98Å; L215-Q218 WeakPolarHBondContact O-CB 3.27Å; L215-Q218 PolarHBondContact O-N 2.84Å; M216-Q218 VanDerWaalsContact C-N 3.29Å; M216-Q218 PolarHBondContact O-N 2.91Å; Q218-A220 PolarHBondContact O-N 3.03Å; Q218-G221 PolarHBondContact O-N 3.41Å; Q218-L222 WeakPolarHBondContact O-CB 3.38Å; Q218-L222 WeakPolarHBondContact O-CG 3.39Å; Q218-L222 PolarHBondContact O-N 2.93Å; Q218-C250 PolarHBondContact NE2-SG 3.2Å; Q218-H254 WeakPolarHBondContact CB-NE2 3.26Å; Q218-H254 PolarHBondContact OE1-NE2 2.93Å; Q218-H254 VanDerWaalsContact OE1-NE2 3.15Å
219	V	98.9	Very high	97.7	Very high	5 Å²	5	16.5 Å²	16.5	3%	0.03	8%	0.077	C	C	.	.	H	α-helix	trans	-56.7	-48.7	172.2	176.2	0	0	0	0	111.1	L215 M216 L222 Q223 I259 L263 F379	L215-V219 WeakPolarHBondContact O-CG2 3.34Å; L215-V219 PolarHBondContact O-N 3.17Å; M216-V219 WeakPolarHBondContact O-CB 3.42Å; M216-V219 PolarHBondContact O-N 3.36Å; M216-V219 HydrophobicContact SD-CG2 4.16Å; V219-L222 PolarHBondContact O-N 2.84Å; V219-Q223 HydrophobicContact CG1-CG 4.47Å; V219-Q223 WeakPolarHBondContact O-CG 3.42Å; V219-Q223 PolarHBondContact O-N 2.83Å; V219-I259 HydrophobicContact CG2-CD1 4.39Å; V219-L263 HydrophobicContact CG1-CD1 4.23Å; V219-F379 HydrophobicContact CG2-CD2 3.91Å; V219-F379 HydrophobicContact CG2-CE2 3.65Å
220	A	98.8	Very high	97.7	Very high	14 Å²	14	18.9 Å²	18.9	12%	0.116	10%	0.097	C	C	.	.	H	α-helix	trans	-62.3	-44	178.8	0	0	0	0	0	111.7	F57 P70 M216 D217 Q218 L222 Q223 W224	F57-A220 HydrophobicContact CD2-CB 4.09Å; F57-A220 HydrophobicContact CE2-CB 4.24Å; P70-A220 HydrophobicContact CB-CB 4.24Å; P70-A220 HydrophobicContact CG-CB 3.74Å; M216-A220 PolarHBondContact O-N 3.25Å; D217-A220 PolarHBondContact O-N 3.3Å; Q218-A220 PolarHBondContact O-N 3.03Å; A220-L222 VanDerWaalsContact C-N 3.34Å; A220-L222 PolarHBondContact O-N 2.76Å; A220-Q223 PolarHBondContact O-N 2.95Å; A220-W224 WeakPolarHBondContact O-CB 3.44Å; A220-W224 PolarHBondContact O-N 3.44Å
221	G	98.8	Very high	97.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60.5	-41.1	174.6	0	0	0	0	0	112.6	D217 Q218 W224 V225	D217-G221 PolarHBondContact O-N 2.86Å; Q218-G221 PolarHBondContact O-N 3.41Å; G221-W224 WeakPolarHBondContact O-CB 3.31Å; G221-W224 PolarHBondContact O-N 2.97Å; G221-V225 VanDerWaalsContact O-CG2 3.28Å; G221-V225 WeakPolarHBondContact O-CG2 3.33Å; G221-V225 PolarHBondContact O-N 2.96Å
222	L	98.8	Very high	97.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-68.5	-37.8	176.8	-69.8	177.7	0	0	0	113	V159 I192 Q218 V219 A220 V225 R226 L241 L263	V159-L222 HydrophobicContact CB-CD2 4.33Å; V159-L222 HydrophobicContact CG1-CD2 3.89Å; V159-L222 HydrophobicContact CG2-CD2 4.34Å; I192-L222 HydrophobicContact CD1-CD2 4.22Å; Q218-L222 WeakPolarHBondContact O-CB 3.38Å; Q218-L222 WeakPolarHBondContact O-CG 3.39Å; Q218-L222 PolarHBondContact O-N 2.93Å; V219-L222 PolarHBondContact O-N 2.84Å; A220-L222 VanDerWaalsContact C-N 3.34Å; A220-L222 PolarHBondContact O-N 2.76Å; L222-V225 PolarHBondContact O-N 2.81Å; L222-R226 WeakPolarHBondContact O-CB 3.42Å; L222-R226 PolarHBondContact O-N 2.82Å; L222-L241 HydrophobicContact CD1-CD1 3.97Å; L222-L241 HydrophobicContact CD1-CD2 4.18Å; L222-L241 HydrophobicContact CD2-CD2 3.4Å; L222-L241 HydrophobicContact CG-CD2 4.43Å; L222-L263 HydrophobicContact CB-CB 4.27Å; L222-L263 HydrophobicContact CB-CD1 3.82Å
223	Q	98.6	Very high	97.3	Very high	84 Å²	84	22.7 Å²	22.7	39%	0.393	11%	0.113	S	C	.	.	H	α-helix	trans	-61.2	-48.5	172	-73.8	170.9	-23.3	0	0	110.4	V219 A220 V225 R226 E227 L263	V219-Q223 HydrophobicContact CG1-CG 4.47Å; V219-Q223 WeakPolarHBondContact O-CG 3.42Å; V219-Q223 PolarHBondContact O-N 2.83Å; A220-Q223 PolarHBondContact O-N 2.95Å; Q223-V225 VanDerWaalsContact C-N 3.31Å; Q223-V225 PolarHBondContact O-N 2.75Å; Q223-R226 PolarHBondContact O-N 2.92Å; Q223-R226 VanDerWaalsContact O-N 3.14Å; Q223-E227 WeakPolarHBondContact O-CG 3.33Å; Q223-E227 PolarHBondContact O-N 2.81Å; Q223-L263 HydrophobicContact CG-CD1 4Å; Q223-L263 HydrophobicContact CG-CD2 4.12Å
224	W	98.5	Very high	97.1	Very high	3 Å²	3	22.8 Å²	22.8	1%	0.011	11%	0.114	C	C	.	.	H	α-helix	trans	-56.4	-46	176.1	-171.5	104	0	0	0	111.6	T32 Y34 I55 F57 L120 I122 A220 G221 R226 E227 N228 F232	T32-W224 HydrophobicContact CG2-CH2 4.36Å; T32-W224 HydrophobicContact CG2-CZ2 4.06Å; Y34-W224 AromaticContact CD2-CD1 3.97Å; Y34-W224 AromaticContact CD2-NE1 3.66Å; Y34-W224 AromaticContact CE2-CD1 3.71Å; Y34-W224 AromaticContact CE2-NE1 3.9Å; I55-W224 HydrophobicContact CD1-CH2 4.09Å; I55-W224 HydrophobicContact CG2-CH2 4.1Å; I55-W224 HydrophobicContact CG2-CZ2 3.57Å; F57-W224 HydrophobicContact CB-CB 3.88Å; F57-W224 HydrophobicContact CB-CG 3.83Å; L120-W224 HydrophobicContact CD1-CE3 4.1Å; L120-W224 HydrophobicContact CD1-CH2 4.16Å; L120-W224 HydrophobicContact CD1-CZ3 3.77Å; L120-W224 HydrophobicContact CD2-CB 4.49Å; L120-W224 HydrophobicContact CD2-CD2 3.82Å; L120-W224 HydrophobicContact CD2-CE3 3.42Å; L120-W224 VanDerWaalsContact CD2-CE3 3.42Å; L120-W224 HydrophobicContact CD2-CG 4.28Å; L120-W224 HydrophobicContact CD2-CZ3 3.98Å; L120-W224 HydrophobicContact CG-CE3 4.34Å; L120-W224 HydrophobicContact CG-CZ3 4.49Å; I122-W224 HydrophobicContact CD1-CH2 3.91Å; I122-W224 HydrophobicContact CD1-CZ3 3.76Å; A220-W224 WeakPolarHBondContact O-CB 3.44Å; A220-W224 PolarHBondContact O-N 3.44Å; G221-W224 WeakPolarHBondContact O-CB 3.31Å; G221-W224 PolarHBondContact O-N 2.97Å; W224-R226 PolarHBondContact O-N 3.01Å; W224-E227 PolarHBondContact O-N 3.3Å; W224-N228 HydrophobicContact CD2-CB 4.13Å; W224-N228 HydrophobicContact CE3-CB 3.99Å; W224-N228 HydrophobicContact CH2-CB 3.71Å; W224-N228 HydrophobicContact CZ2-CB 3.86Å; W224-N228 HydrophobicContact CZ3-CB 3.77Å; W224-N228 WeakPolarHBondContact O-CB 3.36Å; W224-N228 PolarHBondContact O-N 2.77Å; W224-N228 PolarHBondContact O-ND2 3.39Å; W224-F232 AromaticContact CH2-CE2 3.8Å; W224-F232 HydrophobicContact CH2-CE2 3.8Å; W224-F232 HydrophobicContact CH2-CZ 4.27Å; W224-F232 HydrophobicContact CZ3-CE2 4.46Å
225	V	98.4	Very high	97	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-59.3	-48.8	177.4	169	0	0	0	0	110.2	L120 V157 V159 V190 G221 L222 Q223 E227 N228 I229 I239	L120-V225 HydrophobicContact CD2-CG2 4.22Å; V157-V225 HydrophobicContact CG1-CG1 4.12Å; V159-V225 HydrophobicContact CG2-CG1 4.16Å; V190-V225 HydrophobicContact CG1-CG2 3.84Å; V190-V225 HydrophobicContact CG2-CG2 4.4Å; G221-V225 VanDerWaalsContact O-CG2 3.28Å; G221-V225 WeakPolarHBondContact O-CG2 3.33Å; G221-V225 PolarHBondContact O-N 2.96Å; L222-V225 PolarHBondContact O-N 2.81Å; Q223-V225 VanDerWaalsContact C-N 3.31Å; Q223-V225 PolarHBondContact O-N 2.75Å; V225-E227 PolarHBondContact O-N 2.77Å; V225-N228 PolarHBondContact O-N 3.45Å; V225-I229 HydrophobicContact CG1-CB 4.01Å; V225-I229 HydrophobicContact CG1-CG1 4.28Å; V225-I229 HydrophobicContact CG1-CG2 4.29Å; V225-I229 WeakPolarHBondContact O-CB 3.43Å; V225-I229 WeakPolarHBondContact O-CG2 3.22Å; V225-I229 PolarHBondContact O-N 3.01Å; V225-I239 HydrophobicContact CG1-CD1 3.96Å; V225-I239 HydrophobicContact CG1-CG1 4.44Å
226	R	96.9	Very high	96.9	Very high	98 Å²	98	25 Å²	25	37%	0.37	13%	0.126	S	C	.	.	H	α-helix	trans	-59.2	-37.2	179.8	-169.2	-179.1	-171.4	146.7	11.7	112.6	L222 Q223 W224 P236 I239 H262	L222-R226 WeakPolarHBondContact O-CB 3.42Å; L222-R226 PolarHBondContact O-N 2.82Å; Q223-R226 PolarHBondContact O-N 2.92Å; Q223-R226 VanDerWaalsContact O-N 3.14Å; W224-R226 PolarHBondContact O-N 3.01Å; R226-P236 HydrophobicContact CG-CB 4.33Å; R226-P236 VanDerWaalsContact O-CB 3.23Å; R226-P236 WeakPolarHBondContact O-CB 3.35Å; R226-I239 HydrophobicContact CB-CD1 4.33Å; R226-H262 PolarHBondContact NH1-O 2.84Å
227	E	96.6	Very high	96.7	Very high	97 Å²	97	29.7 Å²	29.7	45%	0.453	15%	0.148	S	C	.	.	H	α-helix	trans	-78.8	-30.3	-177.9	-71.1	169.8	-170.1	0	0	113.5	N33 Q223 W224 V225	N33-E227 PolarHBondContact ND2-O 2.91Å; Q223-E227 WeakPolarHBondContact O-CG 3.33Å; Q223-E227 PolarHBondContact O-N 2.81Å; W224-E227 PolarHBondContact O-N 3.3Å; V225-E227 PolarHBondContact O-N 2.77Å
228	N	96.3	Very high	96.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-119.8	-18.4	-167	-63.9	-83.1	0	0	0	114.8	T32 N33 W224 V225 A230 Y231 F232	T32-N228 WeakPolarHBondContact CB-OD1 3.38Å; N33-N228 WeakPolarHBondContact CB-OD1 3.49Å; N33-N228 PolarHBondContact N-OD1 3.27Å; W224-N228 HydrophobicContact CD2-CB 4.13Å; W224-N228 HydrophobicContact CE3-CB 3.99Å; W224-N228 HydrophobicContact CH2-CB 3.71Å; W224-N228 HydrophobicContact CZ2-CB 3.86Å; W224-N228 HydrophobicContact CZ3-CB 3.77Å; W224-N228 WeakPolarHBondContact O-CB 3.36Å; W224-N228 PolarHBondContact O-N 2.77Å; W224-N228 PolarHBondContact O-ND2 3.39Å; V225-N228 PolarHBondContact O-N 3.45Å; N228-A230 PolarHBondContact O-N 3.5Å; N228-A230 VanDerWaalsContact O-N 3.08Å; N228-Y231 HydrophobicContact CB-CD2 4.25Å; N228-Y231 WeakPolarHBondContact O-CB 3.41Å; N228-Y231 WeakPolarHBondContact O-CD2 3.14Å; N228-Y231 PolarHBondContact O-N 3.05Å; N228-F232 WeakPolarHBondContact O-CD2 3.26Å
229	I	96.5	Very high	96.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-65.3	-21.4	-170.1	-156.7	64.5	0	0	0	113.8	I122 V157 V188 V190 V225 Y231 F232 G233 G234 P236	I122-I229 HydrophobicContact CD1-CD1 4.08Å; I122-I229 HydrophobicContact CG2-CD1 4.2Å; V157-I229 HydrophobicContact CB-CG1 4.49Å; V157-I229 HydrophobicContact CG1-CD1 4.4Å; V157-I229 HydrophobicContact CG1-CG1 3.89Å; V157-I229 HydrophobicContact CG2-CG1 3.73Å; V157-I229 HydrophobicContact CG2-CG2 3.99Å; V188-I229 HydrophobicContact CG1-CD1 3.69Å; V188-I229 HydrophobicContact CG1-CG1 4.06Å; V190-I229 HydrophobicContact CG2-CD1 3.68Å; V225-I229 HydrophobicContact CG1-CB 4.01Å; V225-I229 HydrophobicContact CG1-CG1 4.28Å; V225-I229 HydrophobicContact CG1-CG2 4.29Å; V225-I229 WeakPolarHBondContact O-CB 3.43Å; V225-I229 WeakPolarHBondContact O-CG2 3.22Å; V225-I229 PolarHBondContact O-N 3.01Å; I229-Y231 PolarHBondContact O-N 2.9Å; I229-F232 HydrophobicContact CD1-CB 4.3Å; I229-F232 HydrophobicContact CD1-CD2 4.49Å; I229-F232 CarbonylContact O-C 3.54Å; I229-F232 PolarHBondContact O-N 3.01Å; I229-G233 PolarHBondContact O-N 2.84Å; I229-G234 PolarHBondContact O-N 3.38Å; I229-P236 HydrophobicContact CG2-CB 4.09Å
230	A	94.4	Very high	96.5	Very high	51 Å²	51	31.6 Å²	31.6	42%	0.421	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-57.9	-34.6	172.5	0	0	0	0	0	112.2	N228 F232 G233 G234	N228-A230 PolarHBondContact O-N 3.5Å; N228-A230 VanDerWaalsContact O-N 3.08Å; A230-F232 PolarHBondContact O-N 3.49Å; A230-G233 PolarHBondContact O-N 3.05Å; A230-G233 VanDerWaalsContact O-N 3.08Å; A230-G234 WeakPolarHBondContact CA-O 3.47Å
231	Y	92.5	Very high	96.5	Very high	90 Å²	90	30.9 Å²	30.9	35%	0.353	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	-68.7	-15.2	176	-56	-61.7	0	0	0	113.5	I30 N33 S145 N228 I229	I30-Y231 WeakPolarHBondContact CG2-O 3.37Å; N33-Y231 WeakPolarHBondContact OD1-CE2 3.42Å; N33-Y231 PolarHBondContact OD1-OH 2.82Å; N33-Y231 VanDerWaalsContact OD1-OH 3.11Å; S145-Y231 WeakPolarHBondContact CB-O 3.37Å; S145-Y231 VanDerWaalsContact OG-C 3.25Å; S145-Y231 PolarHBondContact OG-O 3.34Å; N228-Y231 HydrophobicContact CB-CD2 4.25Å; N228-Y231 WeakPolarHBondContact O-CB 3.41Å; N228-Y231 WeakPolarHBondContact O-CD2 3.14Å; N228-Y231 PolarHBondContact O-N 3.05Å; I229-Y231 PolarHBondContact O-N 2.9Å
232	F	94.1	Very high	96.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-104.9	11.2	176	-58.1	-90.7	0	0	0	111.8	I30 T32 V37 F52 I55 I122 T124 R155 W224 N228 I229 A230	I30-F232 HydrophobicContact CB-CE1 4.08Å; I30-F232 HydrophobicContact CB-CZ 4.38Å; I30-F232 HydrophobicContact CG1-CE1 4.36Å; I30-F232 HydrophobicContact CG2-CD1 4.3Å; I30-F232 HydrophobicContact CG2-CE1 3.93Å; I30-F232 HydrophobicContact CG2-CE2 4.28Å; I30-F232 HydrophobicContact CG2-CZ 3.93Å; T32-F232 HydrophobicContact CG2-CE2 3.91Å; T32-F232 HydrophobicContact CG2-CZ 3.84Å; V37-F232 HydrophobicContact CG2-CE1 4.06Å; V37-F232 HydrophobicContact CG2-CZ 3.84Å; F52-F232 HydrophobicContact CB-CE1 4.35Å; F52-F232 AromaticContact CD1-CE1 3.82Å; F52-F232 HydrophobicContact CD1-CE1 3.82Å; F52-F232 AromaticContact CD2-CD1 3.66Å; F52-F232 HydrophobicContact CD2-CD1 3.66Å; F52-F232 AromaticContact CD2-CE1 3.68Å; F52-F232 HydrophobicContact CD2-CE1 3.68Å; F52-F232 AromaticContact CE1-CE1 3.96Å; F52-F232 HydrophobicContact CE1-CE1 3.96Å; F52-F232 AromaticContact CE2-CD1 3.62Å; F52-F232 HydrophobicContact CE2-CD1 3.62Å; F52-F232 AromaticContact CE2-CE1 3.84Å; F52-F232 HydrophobicContact CE2-CE1 3.84Å; F52-F232 HydrophobicContact CG-CD1 4.17Å; F52-F232 AromaticContact CG-CE1 3.68Å; F52-F232 HydrophobicContact CG-CE1 3.68Å; F52-F232 HydrophobicContact CZ-CD1 4.07Å; F52-F232 AromaticContact CZ-CE1 3.98Å; F52-F232 HydrophobicContact CZ-CE1 3.98Å; I55-F232 HydrophobicContact CD1-CE1 4.3Å; I55-F232 HydrophobicContact CD1-CZ 3.94Å; I122-F232 HydrophobicContact CD1-CD1 4.01Å; I122-F232 HydrophobicContact CD1-CD2 3.75Å; I122-F232 HydrophobicContact CD1-CE1 4Å; I122-F232 HydrophobicContact CD1-CE2 3.75Å; I122-F232 HydrophobicContact CD1-CG 3.88Å; I122-F232 HydrophobicContact CD1-CZ 3.88Å; I122-F232 HydrophobicContact CG2-CB 4.1Å; I122-F232 HydrophobicContact CG2-CD1 4.18Å; I122-F232 HydrophobicContact CG2-CG 4.17Å; T124-F232 PolarHBondContact OG1-O 2.7Å; R155-F232 PolarHBondContact NH2-O 3.26Å; W224-F232 AromaticContact CH2-CE2 3.8Å; W224-F232 HydrophobicContact CH2-CE2 3.8Å; W224-F232 HydrophobicContact CH2-CZ 4.27Å; W224-F232 HydrophobicContact CZ3-CE2 4.46Å; N228-F232 WeakPolarHBondContact O-CD2 3.26Å; I229-F232 HydrophobicContact CD1-CB 4.3Å; I229-F232 HydrophobicContact CD1-CD2 4.49Å; I229-F232 CarbonylContact O-C 3.54Å; I229-F232 PolarHBondContact O-N 3.01Å; A230-F232 PolarHBondContact O-N 3.49Å
233	G	92.9	Very high	96.4	Very high	8 Å²	8	30.9 Å²	30.9	8%	0.082	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	19.7	-178.9	0	0	0	0	0	114.9	G154 R155 I229 A230	G154-G233 WeakPolarHBondContact CA-O 3.39Å; R155-G233 PolarHBondContact N-O 3.37Å; R155-G233 PolarHBondContact NE-O 3.45Å; I229-G233 PolarHBondContact O-N 2.84Å; A230-G233 PolarHBondContact O-N 3.05Å; A230-G233 VanDerWaalsContact O-N 3.08Å
234	G	95.5	Very high	96.2	Very high	2 Å²	2	27.7 Å²	27.7	2%	0.021	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	156.9	172.8	0	0	0	0	0	112.5	R155 I229 A230 P236	R155-G234 CarbonylContact O-C 3.53Å; R155-G234 WeakPolarHBondContact O-CA 3.04Å; I229-G234 PolarHBondContact O-N 3.38Å; A230-G234 WeakPolarHBondContact CA-O 3.47Å; G234-P236 WeakPolarHBondContact O-CD 3.09Å
235	N	95.4	Very high	95.7	Very high	23 Å²	23	28 Å²	28	12%	0.123	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	111.1	174	-176	-16.2	0	0	0	109.9	G153 R155 Q237 Q238	G153-N235 VanDerWaalsContact O-CB 3.27Å; G153-N235 WeakPolarHBondContact O-CB 3.42Å; G153-N235 VanDerWaalsContact O-CG 3.23Å; G153-N235 PolarHBondContact O-ND2 3.04Å; R155-N235 WeakPolarHBondContact O-CB 3.32Å; R155-N235 PolarHBondContact O-N 3.06Å; N235-Q237 PolarHBondContact O-N 3.27Å; N235-Q237 WeakPolarHBondContact OD1-CA 3.32Å; N235-Q237 WeakPolarHBondContact OD1-CB 3.23Å; N235-Q237 PolarHBondContact OD1-N 2.77Å; N235-Q237 PolarHBondContact OD1-OE1 2.97Å; N235-Q238 HydrophobicContact CB-CB 3.91Å; N235-Q238 CarbonylContact O-C 3.6Å; N235-Q238 PolarHBondContact O-N 2.97Å
236	P	95.9	Very high	95.4	Very high	23 Å²	23	28 Å²	28	15%	0.149	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	-11.7	-179.8	26.4	-31.5	0	0	0	114.1	R226 I229 G234	R226-P236 HydrophobicContact CG-CB 4.33Å; R226-P236 VanDerWaalsContact O-CB 3.23Å; R226-P236 WeakPolarHBondContact O-CB 3.35Å; I229-P236 HydrophobicContact CG2-CB 4.09Å; G234-P236 WeakPolarHBondContact O-CD 3.09Å
237	Q	95.4	Very high	95.3	Very high	126 Å²	126	23.3 Å²	23.3	59%	0.589	12%	0.121	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	-2	171.5	-66.8	72.3	40.3	0	0	112.8	N235	N235-Q237 PolarHBondContact O-N 3.27Å; N235-Q237 WeakPolarHBondContact OD1-CA 3.32Å; N235-Q237 WeakPolarHBondContact OD1-CB 3.23Å; N235-Q237 PolarHBondContact OD1-N 2.77Å; N235-Q237 PolarHBondContact OD1-OE1 2.97Å
238	Q	95.8	Very high	95.3	Very high	43 Å²	43	18.7 Å²	18.7	20%	0.201	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	55.3	-173.4	-152.7	179.9	-45.8	0	0	112.2	V157 N235 A581 S582	V157-Q238 PolarHBondContact N-O 2.91Å; N235-Q238 HydrophobicContact CB-CB 3.91Å; N235-Q238 CarbonylContact O-C 3.6Å; N235-Q238 PolarHBondContact O-N 2.97Å; Q238-A581 PolarHBondContact NE2-O 2.91Å; Q238-S582 VanDerWaalsContact NE2-C 3.25Å; Q238-S582 PolarHBondContact NE2-O 3.05Å
239	I	98.3	Very high	95.3	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.005	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	130.1	177.5	-62.6	167.2	0	0	0	109.6	V157 V159 V225 R226 L241 F264 Q265 Q266	V157-I239 HydrophobicContact CB-CG1 4.08Å; V157-I239 HydrophobicContact CG1-CG1 4.42Å; V157-I239 CarbonylContact O-C 3.49Å; V157-I239 WeakPolarHBondContact O-CA 3.04Å; V159-I239 HydrophobicContact CG2-CG2 3.74Å; V225-I239 HydrophobicContact CG1-CD1 3.96Å; V225-I239 HydrophobicContact CG1-CG1 4.44Å; R226-I239 HydrophobicContact CB-CD1 4.33Å; I239-L241 HydrophobicContact CG2-CD2 4.1Å; I239-F264 HydrophobicContact CB-CB 4.09Å; I239-F264 HydrophobicContact CG2-CB 3.79Å; I239-Q265 PolarHBondContact O-N 3.07Å; I239-Q266 PolarHBondContact O-N 3.05Å
240	T	98.7	Very high	95.3	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	119.4	174.8	-58	0	0	0	0	109.3	V157 M158 V159 Q266 I268 F580 A581	V157-T240 PolarHBondContact O-N 3.07Å; M158-T240 CarbonylContact C-O 3.33Å; M158-T240 WeakPolarHBondContact CA-O 3.31Å; V159-T240 PolarHBondContact N-O 2.79Å; T240-Q266 CarbonylContact C-O 3.46Å; T240-Q266 VanDerWaalsContact CA-O 3.31Å; T240-Q266 WeakPolarHBondContact CA-O 3.32Å; T240-Q266 HydrophobicContact CG2-CB 3.99Å; T240-I268 HydrophobicContact CG2-CD1 4Å; T240-I268 HydrophobicContact CG2-CG1 3.96Å; T240-F580 HydrophobicContact CG2-CD1 4.25Å; T240-F580 HydrophobicContact CG2-CE1 4.19Å; T240-A581 HydrophobicContact CG2-CB 4.25Å; T240-A581 VanDerWaalsContact OG1-CA 3.32Å; T240-A581 WeakPolarHBondContact OG1-CA 3.39Å
241	L	98.7	Very high	95.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	142.1	173.6	-55.7	-168.3	0	0	0	110	V159 L222 I239 V251 H254 F264 Q266 A267 I268	V159-L241 HydrophobicContact CB-CD2 3.84Å; V159-L241 HydrophobicContact CG1-CD2 4.32Å; V159-L241 HydrophobicContact CG2-CD2 4.38Å; L222-L241 HydrophobicContact CD1-CD1 3.97Å; L222-L241 HydrophobicContact CD1-CD2 4.18Å; L222-L241 HydrophobicContact CD2-CD2 3.4Å; L222-L241 HydrophobicContact CG-CD2 4.43Å; I239-L241 HydrophobicContact CG2-CD2 4.1Å; L241-V251 HydrophobicContact CB-CG1 3.95Å; L241-V251 HydrophobicContact CB-CG2 4.17Å; L241-H254 HydrophobicContact CD1-CB 3.99Å; L241-F264 HydrophobicContact CD1-CB 4.45Å; L241-F264 HydrophobicContact CD1-CD1 3.51Å; L241-F264 HydrophobicContact CD1-CD2 3.98Å; L241-F264 HydrophobicContact CD1-CE1 3.59Å; L241-F264 HydrophobicContact CD1-CE2 4.03Å; L241-F264 HydrophobicContact CD1-CG 3.71Å; L241-F264 HydrophobicContact CD1-CZ 3.84Å; L241-F264 HydrophobicContact CD2-CB 4.12Å; L241-F264 HydrophobicContact CD2-CG 4.26Å; L241-F264 HydrophobicContact CG-CB 3.94Å; L241-F264 HydrophobicContact CG-CD1 3.94Å; L241-F264 HydrophobicContact CG-CD2 3.77Å; L241-F264 HydrophobicContact CG-CE1 4.4Å; L241-F264 HydrophobicContact CG-CE2 4.21Å; L241-F264 HydrophobicContact CG-CG 3.6Å; L241-Q266 PolarHBondContact N-O 3.02Å; L241-A267 CarbonylContact O-C 3.46Å; L241-A267 VanDerWaalsContact O-CA 3.26Å; L241-A267 WeakPolarHBondContact O-CA 3Å; L241-I268 PolarHBondContact O-N 3.21Å
242	F	98.3	Very high	95.8	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	146.7	172.4	69.6	-59.7	0	0	0	111.1	M158 V159 W160 I161 I268 I546 F547	M158-F242 HydrophobicContact CB-CD1 4.1Å; M158-F242 HydrophobicContact CB-CE1 3.59Å; M158-F242 HydrophobicContact CB-CZ 4.27Å; M158-F242 HydrophobicContact CE-CD1 4.23Å; M158-F242 HydrophobicContact CE-CD2 4.33Å; M158-F242 HydrophobicContact CE-CE1 4.19Å; M158-F242 HydrophobicContact CE-CE2 4.26Å; M158-F242 HydrophobicContact CE-CG 4.35Å; M158-F242 HydrophobicContact CE-CZ 4.21Å; V159-F242 VanDerWaalsContact C-CE1 3.46Å; V159-F242 WeakPolarHBondContact O-CD1 3.46Å; V159-F242 PolarHBondContact O-N 2.91Å; W160-F242 WeakPolarHBondContact CA-O 3.19Å; W160-F242 HydrophobicContact CB-CE1 3.82Å; W160-F242 HydrophobicContact CB-CZ 3.82Å; W160-F242 HydrophobicContact CD2-CD2 4.48Å; W160-F242 HydrophobicContact CD2-CE2 4.19Å; W160-F242 HydrophobicContact CD2-CZ 4.37Å; W160-F242 HydrophobicContact CE3-CD1 4.26Å; W160-F242 AromaticContact CE3-CD2 3.27Å; W160-F242 HydrophobicContact CE3-CD2 3.27Å; W160-F242 HydrophobicContact CE3-CE1 4.25Å; W160-F242 AromaticContact CE3-CE2 3.29Å; W160-F242 HydrophobicContact CE3-CE2 3.29Å; W160-F242 AromaticContact CE3-CG 3.76Å; W160-F242 HydrophobicContact CE3-CG 3.76Å; W160-F242 AromaticContact CE3-CZ 3.8Å; W160-F242 HydrophobicContact CE3-CZ 3.8Å; W160-F242 VanDerWaalsContact CE3-O 3.25Å; W160-F242 HydrophobicContact CG-CZ 4.44Å; W160-F242 AromaticContact CZ3-CD2 3.49Å; W160-F242 HydrophobicContact CZ3-CD2 3.49Å; W160-F242 VanDerWaalsContact CZ3-CD2 3.49Å; W160-F242 AromaticContact CZ3-CE2 3.76Å; W160-F242 HydrophobicContact CZ3-CE2 3.76Å; W160-F242 HydrophobicContact CZ3-CG 4.22Å; I161-F242 PolarHBondContact N-O 2.98Å; F242-I268 WeakPolarHBondContact CA-O 3.29Å; F242-I268 HydrophobicContact CB-CB 3.67Å; F242-I268 HydrophobicContact CB-CD1 4.11Å; F242-I268 HydrophobicContact CB-CG1 4.22Å; F242-I268 HydrophobicContact CB-CG2 4.47Å; F242-I546 HydrophobicContact CE2-CG2 4.33Å; F242-F547 HydrophobicContact CE2-CE1 4.47Å; F242-F547 AromaticContact CE2-CE2 3.9Å; F242-F547 HydrophobicContact CE2-CE2 3.9Å; F242-F547 AromaticContact CE2-CZ 3.65Å; F242-F547 HydrophobicContact CE2-CZ 3.65Å; F242-F547 HydrophobicContact CZ-CE1 4.24Å; F242-F547 HydrophobicContact CZ-CE2 4.41Å; F242-F547 AromaticContact CZ-CZ 3.71Å; F242-F547 HydrophobicContact CZ-CZ 3.71Å
243	G	97.5	Very high	95.9	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.7	161.6	-174.2	0	0	0	0	0	112	I161 V248 I268 Q270	I161-G243 VanDerWaalsContact O-CA 3.23Å; I161-G243 WeakPolarHBondContact O-CA 3.39Å; G243-V248 WeakPolarHBondContact O-CG2 3.33Å; G243-I268 PolarHBondContact N-O 3.48Å; G243-Q270 WeakPolarHBondContact O-CB 3.11Å; G243-Q270 PolarHBondContact O-N 3.12Å; G243-Q270 VanDerWaalsContact O-N 3.14Å
244	H	94	Very high	96.2	Very high	16 Å²	16	11.6 Å²	11.6	7%	0.074	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	150.8	-178.1	132.2	-92.5	0	0	0	110.8	W160 G163 G246 G247 V248 Q270 G540	W160-H244 HydrophobicContact CH2-CB 3.97Å; G163-H244 WeakPolarHBondContact CA-O 3.43Å; H244-G246 PolarHBondContact O-N 3.17Å; H244-G247 WeakPolarHBondContact O-CA 3.44Å; H244-G247 PolarHBondContact O-N 3.41Å; H244-V248 PolarHBondContact O-N 2.57Å; H244-Q270 WeakPolarHBondContact CA-O 3.41Å; H244-Q270 HydrophobicContact CB-CB 4.07Å; H244-G540 VanDerWaalsContact CD2-CA 3.46Å; H244-G540 WeakPolarHBondContact CD2-CA 3.46Å; H244-G540 WeakPolarHBondContact NE2-CA 3.5Å
245	S	88.5	Confident	96.2	Very high	9 Å²	9	11.6 Å²	11.6	6%	0.063	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	-125.6	175.2	179.9	0	0	0	0	111.6	G247 V248 I249 Q539	S245-G247 PolarHBondContact O-N 2.84Å; S245-G247 VanDerWaalsContact O-N 3.08Å; S245-V248 WeakPolarHBondContact O-CG1 3.24Å; S245-V248 PolarHBondContact O-N 3.29Å; S245-I249 PolarHBondContact O-N 2.81Å; S245-Q539 VanDerWaalsContact CA-NE2 3.31Å
246	G	90.9	Very high	96.2	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-50.5	-35.7	175.1	0	0	0	0	0	114.1	L166 H244 V248 I249 C250	L166-G246 WeakPolarHBondContact CD2-O 2.99Å; H244-G246 PolarHBondContact O-N 3.17Å; G246-V248 PolarHBondContact O-N 3.04Å; G246-I249 PolarHBondContact O-N 2.74Å; G246-C250 PolarHBondContact O-N 3.49Å; G246-C250 PolarHBondContact O-SG 2.82Å; G246-C250 VanDerWaalsContact O-SG 3.32Å
247	G	95.9	Very high	96.2	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-70.1	-31.5	177.5	0	0	0	0	0	113	H162 H244 S245 C250 V251	H162-G247 VanDerWaalsContact O-CA 3.29Å; H162-G247 WeakPolarHBondContact O-CA 3.26Å; H162-G247 PolarHBondContact O-N 3.23Å; H244-G247 WeakPolarHBondContact O-CA 3.44Å; H244-G247 PolarHBondContact O-N 3.41Å; S245-G247 PolarHBondContact O-N 2.84Å; S245-G247 VanDerWaalsContact O-N 3.08Å; G247-C250 WeakPolarHBondContact O-CB 3.24Å; G247-C250 PolarHBondContact O-N 3.05Å; G247-V251 WeakPolarHBondContact O-CG2 3.44Å; G247-V251 PolarHBondContact O-N 3.01Å
248	V	96.7	Very high	96.2	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-69.7	-34.8	177.2	90.6	0	0	0	0	112.3	G243 H244 S245 G246 C250 V251 A252 L269 Q270	G243-V248 WeakPolarHBondContact O-CG2 3.33Å; H244-V248 PolarHBondContact O-N 2.57Å; S245-V248 WeakPolarHBondContact O-CG1 3.24Å; S245-V248 PolarHBondContact O-N 3.29Å; G246-V248 PolarHBondContact O-N 3.04Å; V248-C250 VanDerWaalsContact C-N 3.27Å; V248-C250 PolarHBondContact O-N 2.99Å; V248-V251 PolarHBondContact O-N 2.87Å; V248-A252 WeakPolarHBondContact O-CB 3.34Å; V248-A252 PolarHBondContact O-N 2.57Å; V248-L269 VanDerWaalsContact CG2-C 3.46Å; V248-L269 HydrophobicContact CG2-CB 3.56Å; V248-L269 HydrophobicContact CG2-CG 4.02Å; V248-Q270 WeakPolarHBondContact CB-O 3.34Å
249	I	95	Very high	96.2	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-56.4	-50.9	171.3	-63.9	165.9	0	0	0	108.3	L166 S245 G246 V251 A252 L253 W278 A279 L369 P373	L166-I249 HydrophobicContact CD1-CD1 4.3Å; S245-I249 PolarHBondContact O-N 2.81Å; G246-I249 PolarHBondContact O-N 2.74Å; I249-V251 PolarHBondContact O-N 3.43Å; I249-A252 WeakPolarHBondContact O-CB 3.37Å; I249-A252 PolarHBondContact O-N 3.37Å; I249-A252 VanDerWaalsContact O-N 3.17Å; I249-L253 HydrophobicContact CG2-CD1 3.67Å; I249-L253 HydrophobicContact CG2-CG 4.02Å; I249-L253 VanDerWaalsContact O-CG 3.28Å; I249-L253 WeakPolarHBondContact O-CG 3.5Å; I249-L253 PolarHBondContact O-N 2.8Å; I249-W278 HydrophobicContact CD1-CE3 3.39Å; I249-W278 HydrophobicContact CD1-CH2 4.13Å; I249-W278 HydrophobicContact CD1-CZ3 3.11Å; I249-W278 HydrophobicContact CG1-CE3 4.04Å; I249-W278 HydrophobicContact CG1-CH2 3.95Å; I249-W278 HydrophobicContact CG1-CZ3 3.42Å; I249-W278 VanDerWaalsContact CG1-CZ3 3.42Å; I249-A279 HydrophobicContact CD1-CB 4.49Å; I249-A279 HydrophobicContact CG1-CB 4.15Å; I249-A279 HydrophobicContact CG2-CB 3.99Å; I249-A279 WeakPolarHBondContact CG2-O 3.36Å; I249-L369 HydrophobicContact CD1-CD1 4.16Å; I249-P373 HydrophobicContact CG2-CG 4.18Å
250	C	98.1	Very high	96.2	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-61.4	-46.1	-177.2	-55.7	0	0	0	0	112.1	I161 L215 Q218 G246 G247 V248 A252 L253 H254	I161-C250 HydrophobicContact CG2-CB 4.04Å; L215-C250 HydrophobicContact CD2-CB 3.74Å; Q218-C250 PolarHBondContact NE2-SG 3.2Å; G246-C250 PolarHBondContact O-N 3.49Å; G246-C250 PolarHBondContact O-SG 2.82Å; G246-C250 VanDerWaalsContact O-SG 3.32Å; G247-C250 WeakPolarHBondContact O-CB 3.24Å; G247-C250 PolarHBondContact O-N 3.05Å; V248-C250 VanDerWaalsContact C-N 3.27Å; V248-C250 PolarHBondContact O-N 2.99Å; C250-A252 VanDerWaalsContact C-N 3.31Å; C250-A252 PolarHBondContact O-N 3.02Å; C250-L253 PolarHBondContact O-N 2.78Å; C250-H254 PolarHBondContact O-CD2 3.5Å; C250-H254 PolarHBondContact O-N 2.89Å
251	V	98.3	Very high	96.1	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-57.7	-44.4	174.7	171.2	0	0	0	0	111.3	I161 L241 G247 V248 I249 H254 L255 A267 L269	I161-V251 HydrophobicContact CB-CG2 4.06Å; I161-V251 HydrophobicContact CG1-CG2 3.9Å; L241-V251 HydrophobicContact CB-CG1 3.95Å; L241-V251 HydrophobicContact CB-CG2 4.17Å; G247-V251 WeakPolarHBondContact O-CG2 3.44Å; G247-V251 PolarHBondContact O-N 3.01Å; V248-V251 PolarHBondContact O-N 2.87Å; I249-V251 PolarHBondContact O-N 3.43Å; V251-H254 PolarHBondContact O-N 2.77Å; V251-L255 PolarHBondContact O-N 3.06Å; V251-A267 HydrophobicContact CG1-CB 3.84Å; V251-L269 HydrophobicContact CG1-CD1 4.19Å; V251-L269 HydrophobicContact CG1-CG 4.42Å
252	A	97.3	Very high	95.9	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-65.7	-40.1	178.7	0	0	0	0	0	112.7	V248 I249 C250 H254 L255 L269 P274	V248-A252 WeakPolarHBondContact O-CB 3.34Å; V248-A252 PolarHBondContact O-N 2.57Å; I249-A252 WeakPolarHBondContact O-CB 3.37Å; I249-A252 PolarHBondContact O-N 3.37Å; I249-A252 VanDerWaalsContact O-N 3.17Å; C250-A252 VanDerWaalsContact C-N 3.31Å; C250-A252 PolarHBondContact O-N 3.02Å; A252-H254 VanDerWaalsContact C-N 3.34Å; A252-L255 WeakPolarHBondContact O-CB 3.37Å; A252-L255 PolarHBondContact O-N 3.38Å; A252-L269 HydrophobicContact CB-CD2 3.71Å; A252-L269 HydrophobicContact CB-CG 4.41Å; A252-P274 HydrophobicContact CB-CB 3.93Å; A252-P274 HydrophobicContact CB-CG 3.91Å
253	L	97.6	Very high	95.9	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-69.8	-33.1	177	-64.5	176.9	0	0	0	111.8	L215 I249 C250 L255 I256 S257 P274 V280 P373 F379 L380 P384	L215-L253 HydrophobicContact CD1-CD1 4.16Å; I249-L253 HydrophobicContact CG2-CD1 3.67Å; I249-L253 HydrophobicContact CG2-CG 4.02Å; I249-L253 VanDerWaalsContact O-CG 3.28Å; I249-L253 WeakPolarHBondContact O-CG 3.5Å; I249-L253 PolarHBondContact O-N 2.8Å; C250-L253 PolarHBondContact O-N 2.78Å; L253-L255 PolarHBondContact O-N 2.73Å; L253-I256 HydrophobicContact CD2-CD1 4.04Å; L253-I256 WeakPolarHBondContact O-CG1 3.21Å; L253-I256 PolarHBondContact O-N 2.86Å; L253-I256 VanDerWaalsContact O-N 3.13Å; L253-S257 VanDerWaalsContact O-CB 3.32Å; L253-S257 WeakPolarHBondContact O-CB 3.23Å; L253-S257 PolarHBondContact O-N 2.64Å; L253-P274 HydrophobicContact CD2-CB 3.92Å; L253-V280 HydrophobicContact CD1-CG1 3.97Å; L253-V280 HydrophobicContact CD2-CG1 3.74Å; L253-V280 HydrophobicContact CG-CG1 4.46Å; L253-P373 HydrophobicContact CD1-CB 3.64Å; L253-P373 HydrophobicContact CD1-CG 3.69Å; L253-F379 HydrophobicContact CB-CE1 3.84Å; L253-F379 HydrophobicContact CB-CZ 4.46Å; L253-L380 HydrophobicContact CD2-CD1 4.35Å; L253-L380 HydrophobicContact CD2-CD2 4.16Å; L253-P384 HydrophobicContact CD2-CG 4.03Å
254	H	98	Very high	95.9	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-61.9	-27.4	173.4	-82	-55.5	0	0	0	113.6	Q218 L241 C250 V251 A252 I256 S260 N261 F264 F379	Q218-H254 WeakPolarHBondContact CB-NE2 3.26Å; Q218-H254 PolarHBondContact OE1-NE2 2.93Å; Q218-H254 VanDerWaalsContact OE1-NE2 3.15Å; L241-H254 HydrophobicContact CD1-CB 3.99Å; C250-H254 PolarHBondContact O-CD2 3.5Å; C250-H254 PolarHBondContact O-N 2.89Å; V251-H254 PolarHBondContact O-N 2.77Å; A252-H254 VanDerWaalsContact C-N 3.34Å; H254-I256 VanDerWaalsContact C-N 3.34Å; H254-S260 WeakPolarHBondContact CA-OG 3.48Å; H254-S260 WeakPolarHBondContact ND1-CB 3.35Å; H254-S260 PolarHBondContact ND1-OG 3.06Å; H254-S260 PolarHBondContact O-OG 3.32Å; H254-N261 WeakPolarHBondContact O-CA 3.43Å; H254-N261 PolarHBondContact O-N 3.5Å; H254-F264 HydrophobicContact CB-CE1 3.82Å; H254-F264 HydrophobicContact CB-CZ 4.01Å; H254-F379 AromaticContact CE1-CE2 3.48Å; H254-F379 VanDerWaalsContact CE1-CE2 3.48Å; H254-F379 WeakPolarHBondContact CE1-CE2 3.18Å; H254-F379 AromaticContact CE1-CZ 3.64Å; H254-F379 AromaticContact ND1-CE2 3.51Å; H254-F379 AromaticContact ND1-CZ 3.42Å; H254-F379 WeakPolarHBondContact ND1-CZ 3.41Å
255	L	95.9	Very high	96	Very high	3 Å²	3	16.3 Å²	16.3	2%	0.016	9%	0.085	C	C	.	.	H	α-helix	trans	-65.5	-37.3	174.1	-74	168.3	0	0	0	112.2	V251 A252 L253 N261 F264 A267 L269 H397 I399 F505	V251-L255 PolarHBondContact O-N 3.06Å; A252-L255 WeakPolarHBondContact O-CB 3.37Å; A252-L255 PolarHBondContact O-N 3.38Å; L253-L255 PolarHBondContact O-N 2.73Å; L255-N261 WeakPolarHBondContact O-CB 3.28Å; L255-F264 HydrophobicContact CD2-CE2 3.68Å; L255-F264 HydrophobicContact CD2-CZ 3.97Å; L255-F264 HydrophobicContact CG-CE2 4.34Å; L255-F264 HydrophobicContact CG-CZ 4.28Å; L255-A267 HydrophobicContact CD1-CB 4.06Å; L255-A267 HydrophobicContact CD2-CB 3.87Å; L255-A267 HydrophobicContact CG-CB 4.09Å; L255-L269 HydrophobicContact CD1-CD1 4Å; L255-H397 HydrophobicContact CD2-CB 3.61Å; L255-I399 HydrophobicContact CD1-CG2 3.91Å; L255-I399 HydrophobicContact CD2-CG2 4.18Å; L255-F505 HydrophobicContact CD1-CE1 4.24Å; L255-F505 HydrophobicContact CD1-CZ 4.11Å
256	I	94.9	Very high	96.4	Very high	7 Å²	7	15.9 Å²	15.9	4%	0.036	8%	0.082	C	C	.	.	H	α-helix	trans	-99.6	-16.1	-174.1	66.3	171.4	0	0	0	113.1	L253 H254 P274 L380 P384 V387 L388 L393	L253-I256 HydrophobicContact CD2-CD1 4.04Å; L253-I256 WeakPolarHBondContact O-CG1 3.21Å; L253-I256 PolarHBondContact O-N 2.86Å; L253-I256 VanDerWaalsContact O-N 3.13Å; H254-I256 VanDerWaalsContact C-N 3.34Å; I256-P274 HydrophobicContact CD1-CB 4.49Å; I256-L380 HydrophobicContact CD1-CD1 3.89Å; I256-L380 HydrophobicContact CG1-CD1 4.33Å; I256-P384 HydrophobicContact CD1-CB 3.76Å; I256-P384 HydrophobicContact CD1-CG 4Å; I256-V387 HydrophobicContact CB-CG1 4.09Å; I256-L388 HydrophobicContact CG2-CD2 4.07Å; I256-L393 HydrophobicContact CG2-CD2 3.81Å
257	S	96.6	Very high	96.7	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.082	C	C	.	.			trans	-69.4	129.7	-179.8	177.3	0	0	0	0	111.8	L253 I259 S260 N261 F379	L253-S257 VanDerWaalsContact O-CB 3.32Å; L253-S257 WeakPolarHBondContact O-CB 3.23Å; L253-S257 PolarHBondContact O-N 2.64Å; S257-I259 PolarHBondContact O-N 3.36Å; S257-I259 WeakPolarHBondContact OG-CG1 3.26Å; S257-S260 WeakPolarHBondContact CB-OG 3.44Å; S257-N261 VanDerWaalsContact O-CB 3.25Å; S257-N261 WeakPolarHBondContact O-CB 3.04Å; S257-N261 PolarHBondContact O-N 3.08Å; S257-N261 PolarHBondContact O-ND2 2.86Å; S257-N261 VanDerWaalsContact O-ND2 3.07Å; S257-F379 WeakPolarHBondContact CB-O 3.38Å; S257-F379 PolarHBondContact OG-O 3.3Å
258	P	95.4	Very high	96.8	Very high	69 Å²	69	15.9 Å²	15.9	45%	0.448	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-26.9	-179.7	26.1	-34.1	0	0	0	113.1	P381	P258-P381 HydrophobicContact CG-CG 4.25Å
259	I	96.8	Very high	96.9	Very high	47 Å²	47	15.9 Å²	15.9	24%	0.241	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-13.7	-174	62.2	167.9	0	0	0	114.2	M216 V219 S257 H262 P378 F379	M216-I259 HydrophobicContact CE-CD1 3.89Å; M216-I259 HydrophobicContact SD-CD1 3.5Å; M216-I259 WeakPolarHBondContact SD-CD1 3.5Å; V219-I259 HydrophobicContact CG2-CD1 4.39Å; S257-I259 PolarHBondContact O-N 3.36Å; S257-I259 WeakPolarHBondContact OG-CG1 3.26Å; I259-H262 PolarHBondContact O-CE1 3.27Å; I259-P378 HydrophobicContact CD1-CB 4.41Å; I259-P378 HydrophobicContact CD1-CG 4.19Å; I259-P378 HydrophobicContact CG2-CB 4.21Å; I259-F379 HydrophobicContact CD1-CB 4.13Å; I259-F379 HydrophobicContact CD1-CD2 3.87Å; I259-F379 HydrophobicContact CD1-CG 4.41Å; I259-F379 HydrophobicContact CG1-CD2 4.13Å
260	S	97.6	Very high	97	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.3	-19.7	-176.2	65.5	0	0	0	0	114.9	H254 S257 H262 L263 F264	H254-S260 WeakPolarHBondContact CA-OG 3.48Å; H254-S260 WeakPolarHBondContact ND1-CB 3.35Å; H254-S260 PolarHBondContact ND1-OG 3.06Å; H254-S260 PolarHBondContact O-OG 3.32Å; S257-S260 WeakPolarHBondContact CB-OG 3.44Å; S260-H262 PolarHBondContact O-N 3.1Å; S260-L263 WeakPolarHBondContact O-CB 3.23Å; S260-L263 PolarHBondContact O-N 3.46Å; S260-F264 WeakPolarHBondContact O-CE1 3.25Å
261	N	95.4	Very high	97	Very high	33 Å²	33	15.9 Å²	15.9	18%	0.176	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-11	-175.2	74.1	34	0	0	0	114	H254 L255 S257 R396 H397	H254-N261 WeakPolarHBondContact O-CA 3.43Å; H254-N261 PolarHBondContact O-N 3.5Å; L255-N261 WeakPolarHBondContact O-CB 3.28Å; S257-N261 VanDerWaalsContact O-CB 3.25Å; S257-N261 WeakPolarHBondContact O-CB 3.04Å; S257-N261 PolarHBondContact O-N 3.08Å; S257-N261 PolarHBondContact O-ND2 2.86Å; S257-N261 VanDerWaalsContact O-ND2 3.07Å; N261-R396 PolarHBondContact O-NH2 2.93Å; N261-R396 PolarHBondContact OD1-NH2 3.36Å; N261-H397 PolarHBondContact O-CE1 2.88Å; N261-H397 PolarHBondContact O-NE2 3.29Å
262	H	96	Very high	96.8	Very high	85 Å²	85	16 Å²	16	39%	0.394	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-7.2	178.4	64.3	-84.9	0	0	0	113.1	R226 I259 S260	R226-H262 PolarHBondContact NH1-O 2.84Å; I259-H262 PolarHBondContact O-CE1 3.27Å; S260-H262 PolarHBondContact O-N 3.1Å
263	L	97.7	Very high	96.7	Very high	7 Å²	7	16 Å²	16	4%	0.037	8%	0.083	C	C	.	.	S	Bend	trans	-81.9	-13.2	-176.3	-60.9	177.8	0	0	0	113.7	V219 L222 Q223 S260	V219-L263 HydrophobicContact CG1-CD1 4.23Å; L222-L263 HydrophobicContact CB-CB 4.27Å; L222-L263 HydrophobicContact CB-CD1 3.82Å; Q223-L263 HydrophobicContact CG-CD1 4Å; Q223-L263 HydrophobicContact CG-CD2 4.12Å; S260-L263 WeakPolarHBondContact O-CB 3.23Å; S260-L263 PolarHBondContact O-N 3.46Å
264	F	97.6	Very high	96.5	Very high	9 Å²	9	16 Å²	16	4%	0.039	8%	0.084	C	C	.	.			trans	-146	161.3	-176.6	64.4	-83.8	0	0	0	111.3	I239 L241 H254 L255 S260 Q266 A267 H397	I239-F264 HydrophobicContact CB-CB 4.09Å; I239-F264 HydrophobicContact CG2-CB 3.79Å; L241-F264 HydrophobicContact CD1-CB 4.45Å; L241-F264 HydrophobicContact CD1-CD1 3.51Å; L241-F264 HydrophobicContact CD1-CD2 3.98Å; L241-F264 HydrophobicContact CD1-CE1 3.59Å; L241-F264 HydrophobicContact CD1-CE2 4.03Å; L241-F264 HydrophobicContact CD1-CG 3.71Å; L241-F264 HydrophobicContact CD1-CZ 3.84Å; L241-F264 HydrophobicContact CD2-CB 4.12Å; L241-F264 HydrophobicContact CD2-CG 4.26Å; L241-F264 HydrophobicContact CG-CB 3.94Å; L241-F264 HydrophobicContact CG-CD1 3.94Å; L241-F264 HydrophobicContact CG-CD2 3.77Å; L241-F264 HydrophobicContact CG-CE1 4.4Å; L241-F264 HydrophobicContact CG-CE2 4.21Å; L241-F264 HydrophobicContact CG-CG 3.6Å; H254-F264 HydrophobicContact CB-CE1 3.82Å; H254-F264 HydrophobicContact CB-CZ 4.01Å; L255-F264 HydrophobicContact CD2-CE2 3.68Å; L255-F264 HydrophobicContact CD2-CZ 3.97Å; L255-F264 HydrophobicContact CG-CE2 4.34Å; L255-F264 HydrophobicContact CG-CZ 4.28Å; S260-F264 WeakPolarHBondContact O-CE1 3.25Å; F264-Q266 VanDerWaalsContact CD2-O 3.29Å; F264-Q266 WeakPolarHBondContact CD2-O 3.49Å; F264-A267 HydrophobicContact CE2-CB 4.21Å; F264-H397 AromaticContact CD2-CD2 3.67Å; F264-H397 AromaticContact CE2-CD2 3.37Å; F264-H397 WeakPolarHBondContact CE2-CD2 3.2Å; F264-H397 AromaticContact CE2-NE2 3.74Å; F264-H397 AromaticContact CZ-CD2 4Å; F264-H397 AromaticContact CZ-NE2 3.9Å; F264-H397 PolarHBondContact O-CD2 3.42Å; F264-H397 PolarHBondContact O-NE2 3.09Å
265	Q	95.7	Very high	96.4	Very high	73 Å²	73	17.5 Å²	17.5	34%	0.341	9%	0.092	S	C	.	.	S	Bend	trans	-100.7	-32.1	-172.9	-163.9	65.7	47	0	0	112.5	I239	I239-Q265 PolarHBondContact O-N 3.07Å
266	Q	96.5	Very high	96.2	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	159.2	-171.4	-45.7	-176.1	22.5	0	0	111.7	I239 T240 L241 F264 R398 F580 G584	I239-Q266 PolarHBondContact O-N 3.05Å; T240-Q266 CarbonylContact C-O 3.46Å; T240-Q266 VanDerWaalsContact CA-O 3.31Å; T240-Q266 WeakPolarHBondContact CA-O 3.32Å; T240-Q266 HydrophobicContact CG2-CB 3.99Å; L241-Q266 PolarHBondContact N-O 3.02Å; F264-Q266 VanDerWaalsContact CD2-O 3.29Å; F264-Q266 WeakPolarHBondContact CD2-O 3.49Å; Q266-R398 WeakPolarHBondContact CA-O 3.3Å; Q266-R398 HydrophobicContact CG-CB 4.35Å; Q266-F580 HydrophobicContact CB-CE1 3.87Å; Q266-F580 HydrophobicContact CB-CZ 4.18Å; Q266-F580 PolarHBondContact NE2-O 3.15Å; Q266-F580 VanDerWaalsContact OE1-CE1 3.31Å; Q266-F580 PolarHBondContact OE1-O 2.83Å; Q266-G584 VanDerWaalsContact NE2-N 3.19Å
267	A	98.2	Very high	95.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	146.9	176.7	0	0	0	0	0	112.4	L241 V251 L255 F264 L269 R398 I399 M400 F580	L241-A267 CarbonylContact O-C 3.46Å; L241-A267 VanDerWaalsContact O-CA 3.26Å; L241-A267 WeakPolarHBondContact O-CA 3Å; V251-A267 HydrophobicContact CG1-CB 3.84Å; L255-A267 HydrophobicContact CD1-CB 4.06Å; L255-A267 HydrophobicContact CD2-CB 3.87Å; L255-A267 HydrophobicContact CG-CB 4.09Å; F264-A267 HydrophobicContact CE2-CB 4.21Å; A267-L269 HydrophobicContact CB-CD1 3.83Å; A267-R398 PolarHBondContact N-O 3.24Å; A267-I399 HydrophobicContact CB-CG2 4.35Å; A267-I399 VanDerWaalsContact O-CA 3.27Å; A267-I399 WeakPolarHBondContact O-CA 3.32Å; A267-M400 PolarHBondContact O-N 2.64Å; A267-F580 WeakPolarHBondContact O-CE1 3.2Å
268	I	98.4	Very high	95.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	118.4	172.8	-51.6	171.3	0	0	0	108.2	M158 T240 L241 F242 G243 Q270 M400 W577 F580	M158-I268 HydrophobicContact CE-CD1 4.21Å; T240-I268 HydrophobicContact CG2-CD1 4Å; T240-I268 HydrophobicContact CG2-CG1 3.96Å; L241-I268 PolarHBondContact O-N 3.21Å; F242-I268 WeakPolarHBondContact CA-O 3.29Å; F242-I268 HydrophobicContact CB-CB 3.67Å; F242-I268 HydrophobicContact CB-CD1 4.11Å; F242-I268 HydrophobicContact CB-CG1 4.22Å; F242-I268 HydrophobicContact CB-CG2 4.47Å; G243-I268 PolarHBondContact N-O 3.48Å; I268-Q270 HydrophobicContact CG2-CG 4.14Å; I268-M400 CarbonylContact C-O 3.46Å; I268-M400 VanDerWaalsContact CA-O 3.22Å; I268-M400 WeakPolarHBondContact CA-O 3.44Å; I268-M400 HydrophobicContact CB-CE 4.3Å; I268-M400 HydrophobicContact CD1-CE 3.75Å; I268-M400 HydrophobicContact CG1-CB 4.27Å; I268-M400 HydrophobicContact CG1-CE 3.94Å; I268-M400 HydrophobicContact CG2-CB 4.23Å; I268-M400 HydrophobicContact CG2-CE 3.44Å; I268-M400 VanDerWaalsContact CG2-CE 3.44Å; I268-M400 HydrophobicContact CG2-CG 4.44Å; I268-W577 VanDerWaalsContact CD1-CD1 3.49Å; I268-W577 HydrophobicContact CD1-CG 4.14Å; I268-F580 HydrophobicContact CD1-CD1 3.89Å; I268-F580 HydrophobicContact CD1-CE1 4.38Å; I268-F580 HydrophobicContact CG1-CD1 3.66Å; I268-F580 HydrophobicContact CG1-CE1 3.66Å
269	L	98.2	Very high	95.4	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	103.6	-175.2	-71.1	70.3	0	0	0	110.4	V248 V251 A252 L255 A267 M400 L401 G402 F505	V248-L269 VanDerWaalsContact CG2-C 3.46Å; V248-L269 HydrophobicContact CG2-CB 3.56Å; V248-L269 HydrophobicContact CG2-CG 4.02Å; V251-L269 HydrophobicContact CG1-CD1 4.19Å; V251-L269 HydrophobicContact CG1-CG 4.42Å; A252-L269 HydrophobicContact CB-CD2 3.71Å; A252-L269 HydrophobicContact CB-CG 4.41Å; L255-L269 HydrophobicContact CD1-CD1 4Å; A267-L269 HydrophobicContact CB-CD1 3.83Å; L269-M400 PolarHBondContact N-O 2.93Å; L269-L401 HydrophobicContact CB-CB 4.02Å; L269-L401 CarbonylContact O-C 3.54Å; L269-L401 WeakPolarHBondContact O-CA 3.25Å; L269-G402 PolarHBondContact O-N 3.25Å; L269-F505 HydrophobicContact CD2-CD1 3.98Å; L269-F505 HydrophobicContact CD2-CE1 3.67Å
270	Q	97.6	Very high	95.4	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	110	-178.5	-49	179.6	-168.3	0	0	110.8	G243 H244 V248 I268 Y520 E542	G243-Q270 WeakPolarHBondContact O-CB 3.11Å; G243-Q270 PolarHBondContact O-N 3.12Å; G243-Q270 VanDerWaalsContact O-N 3.14Å; H244-Q270 WeakPolarHBondContact CA-O 3.41Å; H244-Q270 HydrophobicContact CB-CB 4.07Å; V248-Q270 WeakPolarHBondContact CB-O 3.34Å; I268-Q270 HydrophobicContact CG2-CG 4.14Å; Q270-Y520 WeakPolarHBondContact CG-OH 3.23Å; Q270-E542 WeakPolarHBondContact CB-OE1 3.33Å; Q270-E542 PolarHBondContact NE2-OE1 2.99Å
271	S	96.6	Very high	95.2	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.066	C	C	.	.	S	Bend	trans	60.2	48	174.7	-59.3	0	0	0	0	114.7	G402 E407 Q539	S271-G402 WeakPolarHBondContact CA-O 3.48Å; S271-G402 PolarHBondContact N-O 3.35Å; S271-E407 WeakPolarHBondContact CB-OE1 3.36Å; S271-E407 PolarHBondContact OG-OE1 3.32Å; S271-E407 PolarHBondContact OG-OE2 2.96Å; S271-Q539 PolarHBondContact O-NE2 3.13Å
272	G	94.7	Very high	95.2	Very high	2 Å²	2	12.6 Å²	12.6	2%	0.021	6%	0.061	C	C	.	.			trans	172.6	173.5	168.2	0	0	0	0	0	114.9
273	S	94.7	Very high	95.1	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.057	C	C	.	.			trans	-153.7	151.7	-165.6	160.8	0	0	0	0	109.8	L275 A276 P501 F505	S273-L275 PolarHBondContact O-N 2.88Å; S273-L275 PolarHBondContact OG-N 2.91Å; S273-L275 VanDerWaalsContact OG-N 3.16Å; S273-A276 PolarHBondContact O-N 2.86Å; S273-P501 VanDerWaalsContact CB-O 3.27Å; S273-P501 WeakPolarHBondContact CB-O 3.35Å; S273-P501 PolarHBondContact OG-O 3.2Å; S273-F505 WeakPolarHBondContact OG-CB 3.49Å
274	P	94.8	Very high	94.8	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.013	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-7.8	177.8	34.4	-30.3	0	0	0	111.9	A252 L253 I256 P384 F505	A252-P274 HydrophobicContact CB-CB 3.93Å; A252-P274 HydrophobicContact CB-CG 3.91Å; L253-P274 HydrophobicContact CD2-CB 3.92Å; I256-P274 HydrophobicContact CD1-CB 4.49Å; P274-P384 HydrophobicContact CB-CB 4.05Å; P274-P384 HydrophobicContact CB-CG 4.35Å; P274-P384 WeakPolarHBondContact O-CB 3.42Å; P274-P384 WeakPolarHBondContact O-CG 3.39Å; P274-F505 HydrophobicContact CG-CD2 3.81Å; P274-F505 HydrophobicContact CG-CE2 3.57Å; P274-F505 HydrophobicContact CG-CZ 4.13Å
275	L	94.3	Very high	94.4	Very high	31 Å²	31	16.3 Å²	16.3	16%	0.162	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-9.7	176.1	-63.6	176.7	0	0	0	113.2	S273 L388 E504 F505	S273-L275 PolarHBondContact O-N 2.88Å; S273-L275 PolarHBondContact OG-N 2.91Å; S273-L275 VanDerWaalsContact OG-N 3.16Å; L275-L388 HydrophobicContact CD1-CD1 4.32Å; L275-L388 HydrophobicContact CD2-CD1 3.66Å; L275-L388 HydrophobicContact CG-CD1 4.05Å; L275-E504 HydrophobicContact CD1-CB 4.24Å; L275-E504 HydrophobicContact CD1-CG 3.76Å; L275-F505 HydrophobicContact CD1-CB 4.18Å; L275-F505 HydrophobicContact CD1-CD2 4.32Å; L275-F505 HydrophobicContact CG-CD2 4.46Å
276	A	92.4	Very high	94.2	Very high	2 Å²	2	13 Å²	13	2%	0.017	7%	0.07	C	C	.	.	S	Bend	trans	-68.7	139.6	177.1	0	0	0	0	0	110.5	S273 W278 A279 P501	S273-A276 PolarHBondContact O-N 2.86Å; A276-W278 HydrophobicContact CB-CD2 4.31Å; A276-W278 HydrophobicContact CB-CG 4.38Å; A276-W278 HydrophobicContact CB-CZ2 4.1Å; A276-W278 PolarHBondContact O-N 3.3Å; A276-W278 VanDerWaalsContact O-N 3.14Å; A276-A279 HydrophobicContact CB-CB 4.41Å; A276-A279 WeakPolarHBondContact O-CB 3.2Å; A276-A279 PolarHBondContact O-N 2.98Å; A276-P501 HydrophobicContact CB-CB 4.02Å; A276-P501 HydrophobicContact CB-CG 4.23Å
277	W	88.4	Confident	94	Very high	24 Å²	24	15.2 Å²	15.2	9%	0.091	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-23.2	-175.6	73.9	-91.7	0	0	0	113.7	A279 Y365 Y366 F367 D368 Y496 N497 F722	W277-A279 VanDerWaalsContact C-N 3.31Å; W277-Y365 HydrophobicContact CH2-CD1 4.29Å; W277-Y365 HydrophobicContact CH2-CG 4.15Å; W277-Y365 HydrophobicContact CZ2-CD1 4.46Å; W277-Y366 WeakPolarHBondContact CZ2-O 3.34Å; W277-F367 HydrophobicContact CZ2-CB 3.81Å; W277-D368 HydrophobicContact CH2-CB 4.05Å; W277-Y496 AromaticContact CD1-CE1 3.96Å; W277-Y496 AromaticContact NE1-CE1 3.94Å; W277-N497 PolarHBondContact NE1-OD1 3.13Å; W277-F722 HydrophobicContact CB-CD1 4.36Å; W277-F722 HydrophobicContact CB-CD2 4.17Å; W277-F722 HydrophobicContact CB-CE1 3.85Å; W277-F722 HydrophobicContact CB-CE2 3.63Å; W277-F722 HydrophobicContact CB-CZ 3.47Å; W277-F722 VanDerWaalsContact CB-CZ 3.47Å
278	W	88.8	Confident	93.5	Very high	5 Å²	5	20.7 Å²	20.7	2%	0.019	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-4.7	176	56	-91.7	0	0	0	113.2	I249 A276 F367 L369 K372 N497 I498	I249-W278 HydrophobicContact CD1-CE3 3.39Å; I249-W278 HydrophobicContact CD1-CH2 4.13Å; I249-W278 HydrophobicContact CD1-CZ3 3.11Å; I249-W278 HydrophobicContact CG1-CE3 4.04Å; I249-W278 HydrophobicContact CG1-CH2 3.95Å; I249-W278 HydrophobicContact CG1-CZ3 3.42Å; I249-W278 VanDerWaalsContact CG1-CZ3 3.42Å; A276-W278 HydrophobicContact CB-CD2 4.31Å; A276-W278 HydrophobicContact CB-CG 4.38Å; A276-W278 HydrophobicContact CB-CZ2 4.1Å; A276-W278 PolarHBondContact O-N 3.3Å; A276-W278 VanDerWaalsContact O-N 3.14Å; W278-F367 HydrophobicContact CB-CB 4.37Å; W278-F367 WeakPolarHBondContact CB-O 3.34Å; W278-F367 AromaticContact CD1-CD1 3.85Å; W278-F367 AromaticContact CD2-CD1 4Å; W278-F367 HydrophobicContact CD2-CD1 4Å; W278-F367 AromaticContact CE2-CD1 3.9Å; W278-F367 HydrophobicContact CG-CB 4.24Å; W278-F367 HydrophobicContact CG-CD1 4.04Å; W278-F367 HydrophobicContact CZ2-CE1 4.39Å; W278-F367 AromaticContact NE1-CD1 3.75Å; W278-L369 HydrophobicContact CE3-CD1 4.07Å; W278-K372 WeakPolarHBondContact O-CD 3.45Å; W278-N497 PolarHBondContact NE1-O 3.32Å; W278-I498 HydrophobicContact CZ2-CG1 4.27Å
279	A	93.8	Very high	93	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	-77	-35.8	-175.4	0	0	0	0	0	114.3	I249 A276 W277 P373	I249-A279 HydrophobicContact CD1-CB 4.49Å; I249-A279 HydrophobicContact CG1-CB 4.15Å; I249-A279 HydrophobicContact CG2-CB 3.99Å; I249-A279 WeakPolarHBondContact CG2-O 3.36Å; A276-A279 HydrophobicContact CB-CB 4.41Å; A276-A279 WeakPolarHBondContact O-CB 3.2Å; A276-A279 PolarHBondContact O-N 2.98Å; W277-A279 VanDerWaalsContact C-N 3.31Å; A279-P373 VanDerWaalsContact O-CD 3.29Å; A279-P373 WeakPolarHBondContact O-CD 3.37Å
280	V	95.5	Very high	92.7	Very high	5 Å²	5	21.3 Å²	21.3	3%	0.03	11%	0.11	C	C	.	.			trans	-144	161.1	-176.9	-57.5	0	0	0	0	111	L253 P373 V375 L380 W383 P384	L253-V280 HydrophobicContact CD1-CG1 3.97Å; L253-V280 HydrophobicContact CD2-CG1 3.74Å; L253-V280 HydrophobicContact CG-CG1 4.46Å; V280-P373 CarbonylContact C-O 3.56Å; V280-P373 VanDerWaalsContact CA-O 3.25Å; V280-P373 WeakPolarHBondContact CA-O 3.42Å; V280-P373 HydrophobicContact CG1-CB 4.3Å; V280-V375 HydrophobicContact CB-CG2 4.33Å; V280-V375 HydrophobicContact CG2-CG2 4.2Å; V280-L380 HydrophobicContact CB-CD2 4.3Å; V280-L380 HydrophobicContact CG1-CD2 3.68Å; V280-W383 HydrophobicContact CG2-CE3 3.67Å; V280-W383 HydrophobicContact CG2-CZ3 3.65Å; V280-P384 HydrophobicContact CG1-CG 4Å; V280-P384 HydrophobicContact CG2-CG 3.99Å
281	E	94	Very high	92.3	Very high	10 Å²	10	27.6 Å²	27.6	5%	0.047	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-133.4	161	173.7	65.9	-175.6	101.1	0	0	112.9	T285 A286 K289 K372 P373 V374 V375	E281-T285 WeakPolarHBondContact OE2-CG2 3.12Å; E281-A286 HydrophobicContact CG-CB 4.25Å; E281-A286 PolarHBondContact OE2-N 2.77Å; E281-K289 IonicContact OE1-NZ 3.61Å; E281-K289 PolarHBondContact OE1-NZ 3.02Å; E281-K289 VanDerWaalsContact OE2-CD 3.3Å; E281-K289 WeakPolarHBondContact OE2-CD 3.26Å; E281-K289 VanDerWaalsContact OE2-CE 3.31Å; E281-K289 WeakPolarHBondContact OE2-CE 3.23Å; E281-K289 IonicContact OE2-NZ 3Å; E281-K289 PolarHBondContact OE2-NZ 2.8Å; E281-K372 HydrophobicContact CB-CB 4.29Å; E281-K372 HydrophobicContact CB-CD 4.21Å; E281-K372 HydrophobicContact CG-CB 3.97Å; E281-K372 VanDerWaalsContact OE1-CB 3.25Å; E281-K372 WeakPolarHBondContact OE1-CB 3.29Å; E281-K372 PolarHBondContact OE1-N 2.9Å; E281-P373 PolarHBondContact N-O 2.83Å; E281-V374 HydrophobicContact CG-CG2 4.23Å; E281-V374 WeakPolarHBondContact O-CA 3.11Å; E281-V375 PolarHBondContact O-N 3.01Å
282	S	95	Very high	92	Very high	10 Å²	10	29.6 Å²	29.6	7%	0.07	15%	0.145	C	C	.	.			trans	-70.7	152	175.1	74.9	0	0	0	0	111.1	H284 T285 A286 E720	S282-H284 PolarHBondContact O-N 3.02Å; S282-T285 PolarHBondContact O-N 3.06Å; S282-T285 WeakPolarHBondContact OG-CB 3.27Å; S282-T285 PolarHBondContact OG-N 3.18Å; S282-T285 PolarHBondContact OG-OG1 3.07Å; S282-A286 WeakPolarHBondContact O-CB 3.49Å; S282-A286 PolarHBondContact O-N 3.28Å; S282-E720 WeakPolarHBondContact CB-OE1 3.29Å; S282-E720 PolarHBondContact OG-OE1 3.39Å; S282-E720 PolarHBondContact OG-OE2 2.61Å
283	S	94.1	Very high	91.9	Very high	45 Å²	45	29.5 Å²	29.5	32%	0.315	14%	0.144	S	C	.	.	H	α-helix	trans	-59.5	-30.2	171.3	39.6	0	0	0	0	112.3	Y203 L287	Y203-S283 WeakPolarHBondContact CD1-O 3.35Å; Y203-S283 WeakPolarHBondContact CE1-O 3.28Å; Y203-S283 WeakPolarHBondContact OH-CB 3.39Å; S283-L287 VanDerWaalsContact O-CG 3.24Å; S283-L287 WeakPolarHBondContact O-CG 3.44Å; S283-L287 PolarHBondContact O-N 2.89Å; S283-L287 VanDerWaalsContact O-N 3.08Å
284	H	90.9	Very high	91.9	Very high	102 Å²	102	29.5 Å²	29.5	47%	0.472	14%	0.144	S	C	.	.	H	α-helix	trans	-64.6	-54.1	174.1	-177.2	61.6	0	0	0	112.2	S282 A286 L287 E288	S282-H284 PolarHBondContact O-N 3.02Å; H284-A286 VanDerWaalsContact C-N 3.26Å; H284-A286 PolarHBondContact O-N 3.32Å; H284-L287 WeakPolarHBondContact O-CB 3.29Å; H284-L287 PolarHBondContact O-N 3Å; H284-L287 VanDerWaalsContact O-N 3.1Å; H284-E288 IonicContact NE2-OE1 2.78Å; H284-E288 PolarHBondContact O-N 2.94Å; H284-E288 VanDerWaalsContact O-N 3.11Å
285	T	89.7	Confident	91.7	Very high	32 Å²	32	36.1 Å²	36.1	20%	0.196	17%	0.174	C	C	.	.	H	α-helix	trans	-60.2	-38.8	178.7	-64.7	0	0	0	0	111.3	E281 S282 L287 E288 K289 E720	E281-T285 WeakPolarHBondContact OE2-CG2 3.12Å; S282-T285 PolarHBondContact O-N 3.06Å; S282-T285 WeakPolarHBondContact OG-CB 3.27Å; S282-T285 PolarHBondContact OG-N 3.18Å; S282-T285 PolarHBondContact OG-OG1 3.07Å; T285-L287 PolarHBondContact O-N 2.86Å; T285-E288 PolarHBondContact O-N 2.85Å; T285-K289 HydrophobicContact CG2-CD 4.42Å; T285-K289 WeakPolarHBondContact O-CG 3.35Å; T285-K289 PolarHBondContact O-N 3.42Å; T285-E720 PolarHBondContact OG1-OE2 2.98Å
286	A	93	Very high	91.7	Very high	3 Å²	3	37.3 Å²	37.3	3%	0.025	18%	0.18	C	C	.	.	H	α-helix	trans	-65.1	-35.4	176.9	0	0	0	0	0	113	Y203 E281 S282 H284 T290 V374	Y203-A286 HydrophobicContact CD1-CB 3.87Å; Y203-A286 HydrophobicContact CG-CB 4.03Å; E281-A286 HydrophobicContact CG-CB 4.25Å; E281-A286 PolarHBondContact OE2-N 2.77Å; S282-A286 WeakPolarHBondContact O-CB 3.49Å; S282-A286 PolarHBondContact O-N 3.28Å; H284-A286 VanDerWaalsContact C-N 3.26Å; H284-A286 PolarHBondContact O-N 3.32Å; A286-T290 WeakPolarHBondContact O-CB 3.48Å; A286-T290 PolarHBondContact O-N 3.29Å; A286-T290 PolarHBondContact O-OG1 2.82Å; A286-V374 HydrophobicContact CB-CB 4.43Å; A286-V374 HydrophobicContact CB-CG1 3.98Å; A286-V374 HydrophobicContact CB-CG2 3.53Å
287	L	90.5	Very high	91.8	Very high	46 Å²	46	38 Å²	38	24%	0.241	19%	0.186	C	C	.	.	H	α-helix	trans	-67.3	-42.5	173.7	-73.1	164.7	0	0	0	111.9	Y203 S283 H284 T285 K289 T290 R291 Y309	Y203-L287 HydrophobicContact CD1-CD2 3.78Å; Y203-L287 HydrophobicContact CD1-CG 3.66Å; Y203-L287 HydrophobicContact CE1-CD1 4Å; Y203-L287 HydrophobicContact CE1-CD2 3.82Å; Y203-L287 HydrophobicContact CE1-CG 3.59Å; S283-L287 VanDerWaalsContact O-CG 3.24Å; S283-L287 WeakPolarHBondContact O-CG 3.44Å; S283-L287 PolarHBondContact O-N 2.89Å; S283-L287 VanDerWaalsContact O-N 3.08Å; H284-L287 WeakPolarHBondContact O-CB 3.29Å; H284-L287 PolarHBondContact O-N 3Å; H284-L287 VanDerWaalsContact O-N 3.1Å; T285-L287 PolarHBondContact O-N 2.86Å; L287-K289 VanDerWaalsContact C-N 3.33Å; L287-K289 PolarHBondContact O-N 2.81Å; L287-T290 PolarHBondContact O-N 2.99Å; L287-R291 PolarHBondContact O-N 2.75Å; L287-Y309 HydrophobicContact CD2-CD2 4.2Å; L287-Y309 HydrophobicContact CD2-CE2 3.82Å
288	E	87.7	Confident	92.1	Very high	115 Å²	115	40.1 Å²	40.1	54%	0.537	21%	0.214	S	C	.	.	H	α-helix	trans	-62.4	-43	178.1	-67.8	-164.6	135.3	0	0	111.5	H284 T285 R291 L292	H284-E288 IonicContact NE2-OE1 2.78Å; H284-E288 PolarHBondContact O-N 2.94Å; H284-E288 VanDerWaalsContact O-N 3.11Å; T285-E288 PolarHBondContact O-N 2.85Å; E288-R291 WeakPolarHBondContact O-CB 3.43Å; E288-R291 PolarHBondContact O-N 2.6Å; E288-L292 PolarHBondContact O-N 3.45Å
289	K	89.6	Confident	92.4	Very high	11 Å²	11	40 Å²	40	5%	0.048	21%	0.214	C	C	.	.	H	α-helix	trans	-60.7	-45.2	173.2	-77.1	176	178.8	-176.5	0	112.1	E281 T285 L287 R291 L292 L293 M332 P370	E281-K289 IonicContact OE1-NZ 3.61Å; E281-K289 PolarHBondContact OE1-NZ 3.02Å; E281-K289 VanDerWaalsContact OE2-CD 3.3Å; E281-K289 WeakPolarHBondContact OE2-CD 3.26Å; E281-K289 VanDerWaalsContact OE2-CE 3.31Å; E281-K289 WeakPolarHBondContact OE2-CE 3.23Å; E281-K289 IonicContact OE2-NZ 3Å; E281-K289 PolarHBondContact OE2-NZ 2.8Å; T285-K289 HydrophobicContact CG2-CD 4.42Å; T285-K289 WeakPolarHBondContact O-CG 3.35Å; T285-K289 PolarHBondContact O-N 3.42Å; L287-K289 VanDerWaalsContact C-N 3.33Å; L287-K289 PolarHBondContact O-N 2.81Å; K289-R291 VanDerWaalsContact C-N 3.29Å; K289-R291 PolarHBondContact O-N 2.88Å; K289-L292 PolarHBondContact O-N 3.22Å; K289-L293 PolarHBondContact O-N 3.31Å; K289-M332 HydrophobicContact CB-CE 3.59Å; K289-M332 HydrophobicContact CG-CE 3.97Å; K289-M332 WeakPolarHBondContact O-CE 3.49Å; K289-P370 VanDerWaalsContact CD-O 3.27Å; K289-P370 WeakPolarHBondContact CD-O 3.45Å; K289-P370 VanDerWaalsContact CE-O 3.27Å; K289-P370 WeakPolarHBondContact CE-O 3.43Å; K289-P370 PolarHBondContact NZ-O 3.02Å
290	T	91.7	Very high	92	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.012	25%	0.249	C	C	.	.	H	α-helix	trans	-61.5	-39.9	177.7	-62.1	0	0	0	0	111.5	L202 Y203 L204 A286 L287 L293 A294	L202-T290 HydrophobicContact CD1-CG2 3.69Å; L202-T290 VanDerWaalsContact CD1-OG1 3.29Å; L202-T290 WeakPolarHBondContact CD1-OG1 3.26Å; L202-T290 HydrophobicContact CD2-CG2 4.22Å; L202-T290 HydrophobicContact CG-CG2 3.79Å; Y203-T290 PolarHBondContact N-OG1 3.35Å; Y203-T290 WeakPolarHBondContact O-CB 3.4Å; Y203-T290 PolarHBondContact O-OG1 2.95Å; L204-T290 HydrophobicContact CD2-CG2 3.34Å; L204-T290 HydrophobicContact CG-CG2 4.01Å; A286-T290 WeakPolarHBondContact O-CB 3.48Å; A286-T290 PolarHBondContact O-N 3.29Å; A286-T290 PolarHBondContact O-OG1 2.82Å; L287-T290 PolarHBondContact O-N 2.99Å; T290-L293 PolarHBondContact O-N 3.09Å; T290-A294 WeakPolarHBondContact O-CB 3.48Å; T290-A294 PolarHBondContact O-N 3.21Å
291	R	89.2	Confident	91.3	Very high	132 Å²	132	47.3 Å²	47.3	50%	0.498	26%	0.256	S	S	.	.	H	α-helix	trans	-61.1	-45	174	-176.2	-180	170.5	140.5	-0.1	112.2	L287 E288 K289 A294 Q295 A301	L287-R291 PolarHBondContact O-N 2.75Å; E288-R291 WeakPolarHBondContact O-CB 3.43Å; E288-R291 PolarHBondContact O-N 2.6Å; K289-R291 VanDerWaalsContact C-N 3.29Å; K289-R291 PolarHBondContact O-N 2.88Å; R291-A294 PolarHBondContact O-N 3.32Å; R291-Q295 PolarHBondContact O-N 3.42Å; R291-A301 HydrophobicContact CG-CB 3.88Å
292	L	89.6	Confident	90.3	Very high	43 Å²	43	51.2 Å²	51.2	23%	0.225	28%	0.281	C	S	.	.	H	α-helix	trans	-64.4	-44.7	178.4	-178.2	61.7	0	0	0	111.3	E288 K289 A294 Q295 L296 M332 L335	E288-L292 PolarHBondContact O-N 3.45Å; K289-L292 PolarHBondContact O-N 3.22Å; L292-A294 VanDerWaalsContact C-N 3.33Å; L292-A294 PolarHBondContact O-N 3.1Å; L292-Q295 PolarHBondContact O-N 2.9Å; L292-L296 HydrophobicContact CD1-CD1 4.48Å; L292-L296 HydrophobicContact CG-CD1 4.19Å; L292-L296 WeakPolarHBondContact O-CG 3.49Å; L292-L296 PolarHBondContact O-N 2.83Å; L292-M332 HydrophobicContact CB-CE 4.48Å; L292-M332 HydrophobicContact CD2-CB 3.98Å; L292-M332 HydrophobicContact CD2-CG 3.98Å; L292-M332 HydrophobicContact CG-CG 4.06Å; L292-L335 HydrophobicContact CD1-CD1 4.13Å; L292-L335 HydrophobicContact CD2-CB 4.32Å
293	L	93.3	Very high	89.3	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-60.9	-43.8	176	-172.4	72.9	0	0	0	111.5	P198 L202 K289 T290 Q295 L296 S297 L325 N328 M332 F371	P198-L293 HydrophobicContact CB-CD2 3.53Å; P198-L293 HydrophobicContact CG-CD2 4.33Å; L202-L293 HydrophobicContact CD1-CD2 3.64Å; K289-L293 PolarHBondContact O-N 3.31Å; T290-L293 PolarHBondContact O-N 3.09Å; L293-Q295 VanDerWaalsContact C-N 3.34Å; L293-Q295 PolarHBondContact O-N 2.82Å; L293-L296 PolarHBondContact O-N 3.17Å; L293-S297 VanDerWaalsContact O-CB 3.3Å; L293-S297 WeakPolarHBondContact O-CB 3.33Å; L293-S297 PolarHBondContact O-N 3.44Å; L293-S297 PolarHBondContact O-OG 3.28Å; L293-L325 HydrophobicContact CD2-CD2 4.12Å; L293-L325 HydrophobicContact CG-CD2 4.43Å; L293-N328 HydrophobicContact CD1-CB 3.73Å; L293-M332 HydrophobicContact CB-CE 4.36Å; L293-M332 HydrophobicContact CB-SD 3.62Å; L293-M332 HydrophobicContact CD1-CG 4.45Å; L293-M332 HydrophobicContact CD1-SD 3.58Å; L293-M332 VanDerWaalsContact CD1-SD 3.58Å; L293-M332 HydrophobicContact CG-SD 4.15Å; L293-F371 HydrophobicContact CD2-CZ 3.99Å
294	A	93.7	Very high	88.3	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-58.2	-47.6	177.5	0	0	0	0	0	111.1	T290 R291 L292 L296 S297 G298 C299 A301 L313 L317	T290-A294 WeakPolarHBondContact O-CB 3.48Å; T290-A294 PolarHBondContact O-N 3.21Å; R291-A294 PolarHBondContact O-N 3.32Å; L292-A294 VanDerWaalsContact C-N 3.33Å; L292-A294 PolarHBondContact O-N 3.1Å; A294-L296 PolarHBondContact O-N 2.91Å; A294-S297 CarbonylContact O-C 3.49Å; A294-S297 PolarHBondContact O-N 3.24Å; A294-S297 VanDerWaalsContact O-N 3.15Å; A294-G298 PolarHBondContact O-N 3.31Å; A294-C299 CarbonylContact C-O 3.55Å; A294-C299 VanDerWaalsContact C-O 3.3Å; A294-C299 HydrophobicContact CB-CB 4.11Å; A294-C299 WeakPolarHBondContact O-CA 3.23Å; A294-C299 WeakPolarHBondContact O-CB 3.38Å; A294-C299 PolarHBondContact O-N 3.26Å; A294-A301 HydrophobicContact CB-CB 4.18Å; A294-L313 HydrophobicContact CB-CD1 3.73Å; A294-L317 HydrophobicContact CB-CD2 4.25Å
295	Q	91.5	Very high	87.4	Confident	140 Å²	140	55.7 Å²	55.7	65%	0.654	32%	0.315	S	S	*	.	H	α-helix	trans	-60.5	-44.9	177.7	-175	178.5	-3.1	0	0	112.3	R291 L292 L293 S297 G298	R291-Q295 PolarHBondContact O-N 3.42Å; L292-Q295 PolarHBondContact O-N 2.9Å; L293-Q295 VanDerWaalsContact C-N 3.34Å; L293-Q295 PolarHBondContact O-N 2.82Å; Q295-S297 PolarHBondContact O-N 3.19Å; Q295-G298 PolarHBondContact O-N 3.16Å
296	L	92.6	Very high	86.6	Confident	56 Å²	56	60.4 Å²	60.4	29%	0.293	34%	0.339	S	S	.	.	H	α-helix	trans	-64.4	-29	177.2	-71.1	169.3	0	0	0	112.9	L292 L293 A294 G298 N328 H331 M332 L335	L292-L296 HydrophobicContact CD1-CD1 4.48Å; L292-L296 HydrophobicContact CG-CD1 4.19Å; L292-L296 WeakPolarHBondContact O-CG 3.49Å; L292-L296 PolarHBondContact O-N 2.83Å; L293-L296 PolarHBondContact O-N 3.17Å; A294-L296 PolarHBondContact O-N 2.91Å; L296-G298 VanDerWaalsContact C-N 3.32Å; L296-N328 VanDerWaalsContact C-ND2 3.34Å; L296-N328 HydrophobicContact CB-CB 4.23Å; L296-N328 PolarHBondContact O-ND2 3.13Å; L296-N328 VanDerWaalsContact O-ND2 3.13Å; L296-H331 HydrophobicContact CD1-CB 3.96Å; L296-H331 HydrophobicContact CD2-CB 4.43Å; L296-M332 HydrophobicContact CD1-CG 3.64Å; L296-L335 HydrophobicContact CD1-CD1 4.18Å; L296-L335 HydrophobicContact CD2-CD1 3.82Å; L296-L335 HydrophobicContact CG-CD1 4.4Å
297	S	95.5	Very high	85.6	Confident	18 Å²	18	62.4 Å²	62.4	13%	0.126	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	9.9	178.8	-58.4	0	0	0	0	113.4	L293 A294 Q295 C299 N328	L293-S297 VanDerWaalsContact O-CB 3.3Å; L293-S297 WeakPolarHBondContact O-CB 3.33Å; L293-S297 PolarHBondContact O-N 3.44Å; L293-S297 PolarHBondContact O-OG 3.28Å; A294-S297 CarbonylContact O-C 3.49Å; A294-S297 PolarHBondContact O-N 3.24Å; A294-S297 VanDerWaalsContact O-N 3.15Å; Q295-S297 PolarHBondContact O-N 3.19Å; S297-C299 VanDerWaalsContact C-N 3.29Å; S297-C299 PolarHBondContact O-N 3.33Å; S297-N328 PolarHBondContact OG-ND2 3.22Å; S297-N328 VanDerWaalsContact OG-ND2 3.09Å
298	G	94.7	Very high	84.8	Confident	67 Å²	67	66 Å²	66	69%	0.691	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.2	13.7	178.5	0	0	0	0	0	114.8	A294 Q295 L296	A294-G298 PolarHBondContact O-N 3.31Å; Q295-G298 PolarHBondContact O-N 3.16Å; L296-G298 VanDerWaalsContact C-N 3.32Å
299	C	94.7	Very high	84.4	Confident	2 Å²	2	61.9 Å²	61.9	1%	0.014	36%	0.355	C	S	.	.			trans	-96.2	124.2	177.4	-65.3	0	0	0	0	111.6	A294 S297 A301 L313 C316 L317	A294-C299 CarbonylContact C-O 3.55Å; A294-C299 VanDerWaalsContact C-O 3.3Å; A294-C299 HydrophobicContact CB-CB 4.11Å; A294-C299 WeakPolarHBondContact O-CA 3.23Å; A294-C299 WeakPolarHBondContact O-CB 3.38Å; A294-C299 PolarHBondContact O-N 3.26Å; S297-C299 VanDerWaalsContact C-N 3.29Å; S297-C299 PolarHBondContact O-N 3.33Å; C299-A301 PolarHBondContact O-N 2.91Å; C299-L313 HydrophobicContact CB-CD1 3.73Å; C299-C316 WeakPolarHBondContact CA-SG 3.36Å; C299-C316 HydrophobicContact CB-CB 3.82Å; C299-C316 WeakPolarHBondContact CB-SG 3.27Å; C299-C316 WeakPolarHBondContact SG-CB 3.28Å; C299-C316 CovalentContact SG-SG 2.04Å; C299-C316 PolarHBondContact SG-SG 3.25Å; C299-L317 HydrophobicContact CB-CD2 4.44Å
300	N	86.5	Confident	83.8	Confident	139 Å²	139	62.9 Å²	62.9	74%	0.743	36%	0.364	S	S	*	.			trans	-72.5	110.6	175.9	-78	-26.1	0	0	0	110.5	V302	N300-V302 VanDerWaalsContact C-N 3.28Å; N300-V302 HydrophobicContact CB-CG2 4.21Å; N300-V302 PolarHBondContact O-N 3.38Å
301	A	78.8	Confident	83.5	Confident	21 Å²	21	71.1 Å²	71.1	17%	0.174	40%	0.399	C	S	.	.			trans	-83.1	69.4	178.2	0	0	0	0	0	111.2	R291 A294 C299 Y309 L313	R291-A301 HydrophobicContact CG-CB 3.88Å; A294-A301 HydrophobicContact CB-CB 4.18Å; C299-A301 PolarHBondContact O-N 2.91Å; A301-Y309 HydrophobicContact CB-CD1 4.39Å; A301-Y309 HydrophobicContact CB-CE1 3.86Å; A301-L313 HydrophobicContact CB-CD2 4.28Å
302	V	75	Confident	83.4	Confident	92 Å²	92	71.2 Å²	71.2	56%	0.558	41%	0.405	S	S	*	.			trans	-86	129.6	176.2	-170.8	0	0	0	0	109.4	N300 S310	N300-V302 VanDerWaalsContact C-N 3.28Å; N300-V302 HydrophobicContact CB-CG2 4.21Å; N300-V302 PolarHBondContact O-N 3.38Å; V302-S310 PolarHBondContact O-N 3.02Å
303	T	73.2	Confident	83.5	Confident	59 Å²	59	69.2 Å²	69.2	36%	0.362	40%	0.395	S	S	.	.	B	Isolated β-bridge	trans	-99.9	148.9	171.6	56.1	0	0	0	0	110.5	Q308 Y309	T303-Q308 CarbonylContact C-O 3.52Å; T303-Q308 VanDerWaalsContact CA-O 3.26Å; T303-Q308 WeakPolarHBondContact CA-O 3.21Å; T303-Y309 HydrophobicContact CG2-CD1 3.61Å; T303-Y309 HydrophobicContact CG2-CD2 4.42Å; T303-Y309 HydrophobicContact CG2-CE1 3.47Å; T303-Y309 VanDerWaalsContact CG2-CE1 3.47Å; T303-Y309 HydrophobicContact CG2-CE2 4.34Å; T303-Y309 HydrophobicContact CG2-CG 4.11Å
304	D	73.6	Confident	83.5	Confident	71 Å²	71	69.4 Å²	69.4	38%	0.38	40%	0.396	S	S	.	.			trans	-70.3	-176.5	166.5	73.5	6.4	0	0	0	111.8	N306 G307 Q308	D304-N306 PolarHBondContact O-N 3.32Å; D304-N306 VanDerWaalsContact OD1-CA 3.32Å; D304-N306 WeakPolarHBondContact OD1-CA 3.41Å; D304-N306 WeakPolarHBondContact OD1-CB 3.37Å; D304-N306 PolarHBondContact OD1-N 2.9Å; D304-G307 PolarHBondContact O-N 2.74Å; D304-G307 VanDerWaalsContact O-N 3.08Å; D304-G307 PolarHBondContact OD1-N 2.91Å; D304-G307 VanDerWaalsContact OD1-N 3.07Å; D304-Q308 PolarHBondContact N-O 3.49Å; D304-Q308 PolarHBondContact OD1-N 2.93Å
305	S	71.9	Confident	83.5	Confident	121 Å²	121	74 Å²	74	85%	0.846	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-19	178.4	53.5	0	0	0	0	114.3
306	N	71.6	Confident	83.7	Confident	130 Å²	130	69.1 Å²	69.1	70%	0.695	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	2.4	179.1	-59.5	-29.4	0	0	0	112	D304 Q308	D304-N306 PolarHBondContact O-N 3.32Å; D304-N306 VanDerWaalsContact OD1-CA 3.32Å; D304-N306 WeakPolarHBondContact OD1-CA 3.41Å; D304-N306 WeakPolarHBondContact OD1-CB 3.37Å; D304-N306 PolarHBondContact OD1-N 2.9Å; N306-Q308 VanDerWaalsContact C-N 3.27Å; N306-Q308 PolarHBondContact O-N 2.87Å
307	G	72.1	Confident	83.9	Confident	45 Å²	45	66.4 Å²	66.4	46%	0.464	38%	0.383	S	S	.	.	S	Bend	trans	78	9.1	-176	0	0	0	0	0	113.7	D304	D304-G307 PolarHBondContact O-N 2.74Å; D304-G307 VanDerWaalsContact O-N 3.08Å; D304-G307 PolarHBondContact OD1-N 2.91Å; D304-G307 VanDerWaalsContact OD1-N 3.07Å
308	Q	74.9	Confident	83.9	Confident	122 Å²	122	66.3 Å²	66.3	57%	0.57	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-81.9	135	175.5	-73	-167.3	-8.4	0	0	110.7	T303 D304 N306	T303-Q308 CarbonylContact C-O 3.52Å; T303-Q308 VanDerWaalsContact CA-O 3.26Å; T303-Q308 WeakPolarHBondContact CA-O 3.21Å; D304-Q308 PolarHBondContact N-O 3.49Å; D304-Q308 PolarHBondContact OD1-N 2.93Å; N306-Q308 VanDerWaalsContact C-N 3.27Å; N306-Q308 PolarHBondContact O-N 2.87Å
309	Y	77.8	Confident	84	Confident	28 Å²	28	67.7 Å²	67.7	11%	0.11	38%	0.38	C	S	.	.	B	Isolated β-bridge	trans	-71.5	142.5	176.1	-72.8	-73.2	0	0	0	111.9	L204 L287 A301 T303 L313	L204-Y309 HydrophobicContact CD2-CD2 3.44Å; L204-Y309 VanDerWaalsContact CD2-CD2 3.44Å; L204-Y309 HydrophobicContact CD2-CE2 3.99Å; L204-Y309 HydrophobicContact CD2-CG 3.77Å; L287-Y309 HydrophobicContact CD2-CD2 4.2Å; L287-Y309 HydrophobicContact CD2-CE2 3.82Å; A301-Y309 HydrophobicContact CB-CD1 4.39Å; A301-Y309 HydrophobicContact CB-CE1 3.86Å; T303-Y309 HydrophobicContact CG2-CD1 3.61Å; T303-Y309 HydrophobicContact CG2-CD2 4.42Å; T303-Y309 HydrophobicContact CG2-CE1 3.47Å; T303-Y309 VanDerWaalsContact CG2-CE1 3.47Å; T303-Y309 HydrophobicContact CG2-CE2 4.34Å; T303-Y309 HydrophobicContact CG2-CG 4.11Å; Y309-L313 HydrophobicContact CD1-CD2 3.42Å; Y309-L313 VanDerWaalsContact CD1-CD2 3.42Å; Y309-L313 HydrophobicContact CE1-CD2 4.15Å; Y309-L313 HydrophobicContact CG-CD2 3.71Å
310	S	77.5	Confident	84.2	Confident	32 Å²	32	68.5 Å²	68.5	22%	0.224	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-71.8	156.7	-173.6	92.5	0	0	0	0	112.9	V302 E312 L313	V302-S310 PolarHBondContact O-N 3.02Å; S310-E312 WeakPolarHBondContact CB-OE2 3.4Å; S310-E312 PolarHBondContact O-N 3.49Å; S310-E312 WeakPolarHBondContact OG-CB 3.46Å; S310-E312 PolarHBondContact OG-N 3.33Å; S310-E312 PolarHBondContact OG-OE2 3.04Å; S310-L313 WeakPolarHBondContact O-CB 3.32Å; S310-L313 PolarHBondContact O-N 3.38Å; S310-L313 VanDerWaalsContact O-N 3.1Å; S310-L313 PolarHBondContact OG-N 3.14Å
311	K	84.8	Confident	84.7	Confident	175 Å²	175	65.9 Å²	65.9	76%	0.761	37%	0.37	S	S	*	.	H	α-helix	trans	-62.9	-27.2	175.3	-71.1	-173.8	176.9	-176.6	0	111.9	L313 V314 K315	K311-L313 VanDerWaalsContact C-N 3.32Å; K311-V314 PolarHBondContact O-N 2.78Å; K311-K315 PolarHBondContact O-N 2.92Å
312	E	87.9	Confident	85.5	Confident	134 Å²	134	65.3 Å²	65.3	63%	0.626	37%	0.365	S	S	*	.	H	α-helix	trans	-64.9	-35.2	175.1	-59	72.5	-160.3	0	0	111.6	S310 K315 C316	S310-E312 WeakPolarHBondContact CB-OE2 3.4Å; S310-E312 PolarHBondContact O-N 3.49Å; S310-E312 WeakPolarHBondContact OG-CB 3.46Å; S310-E312 PolarHBondContact OG-N 3.33Å; S310-E312 PolarHBondContact OG-OE2 3.04Å; E312-K315 PolarHBondContact O-N 3.39Å; E312-C316 WeakPolarHBondContact O-CB 3.13Å; E312-C316 PolarHBondContact O-N 3.07Å
313	L	91.9	Very high	86.5	Confident	2 Å²	2	66 Å²	66	1%	0.01	36%	0.362	C	S	.	.	H	α-helix	trans	-63.1	-46.3	173.8	176.2	60.1	0	0	0	111	L204 A294 C299 A301 Y309 S310 K311 K315 C316 L317	L204-L313 HydrophobicContact CD1-CD2 4.34Å; L204-L313 HydrophobicContact CD2-CD2 3.95Å; A294-L313 HydrophobicContact CB-CD1 3.73Å; C299-L313 HydrophobicContact CB-CD1 3.73Å; A301-L313 HydrophobicContact CB-CD2 4.28Å; Y309-L313 HydrophobicContact CD1-CD2 3.42Å; Y309-L313 VanDerWaalsContact CD1-CD2 3.42Å; Y309-L313 HydrophobicContact CE1-CD2 4.15Å; Y309-L313 HydrophobicContact CG-CD2 3.71Å; S310-L313 WeakPolarHBondContact O-CB 3.32Å; S310-L313 PolarHBondContact O-N 3.38Å; S310-L313 VanDerWaalsContact O-N 3.1Å; S310-L313 PolarHBondContact OG-N 3.14Å; K311-L313 VanDerWaalsContact C-N 3.32Å; L313-K315 VanDerWaalsContact C-N 3.34Å; L313-K315 PolarHBondContact O-N 3.39Å; L313-C316 PolarHBondContact O-N 2.91Å; L313-L317 HydrophobicContact CD1-CD1 3.93Å; L313-L317 HydrophobicContact CD1-CG 4.05Å; L313-L317 HydrophobicContact CG-CD1 3.94Å; L313-L317 HydrophobicContact CG-CG 4.48Å; L313-L317 WeakPolarHBondContact O-CG 3.44Å; L313-L317 PolarHBondContact O-N 3.46Å
314	V	93.1	Very high	87.6	Confident	4 Å²	4	66.2 Å²	66.2	2%	0.024	36%	0.364	C	S	.	.	H	α-helix	trans	-57.4	-49.5	177.3	176.5	0	0	0	0	110	L204 E208 I209 K311 C316 L317 Q318	L204-V314 HydrophobicContact CD1-CG2 3.76Å; E208-V314 HydrophobicContact CB-CG1 3.98Å; E208-V314 HydrophobicContact CB-CG2 4.2Å; E208-V314 HydrophobicContact CG-CG1 4.42Å; I209-V314 HydrophobicContact CD1-CG1 4.31Å; I209-V314 HydrophobicContact CD1-CG2 4.3Å; I209-V314 HydrophobicContact CG1-CG1 4.36Å; I209-V314 HydrophobicContact CG1-CG2 4.35Å; K311-V314 PolarHBondContact O-N 2.78Å; V314-C316 PolarHBondContact O-N 2.86Å; V314-L317 PolarHBondContact O-N 2.92Å; V314-Q318 HydrophobicContact CG1-CG 4.41Å; V314-Q318 WeakPolarHBondContact O-CB 3.14Å; V314-Q318 WeakPolarHBondContact O-CG 3.21Å; V314-Q318 PolarHBondContact O-N 2.9Å
315	K	94.2	Very high	88.6	Confident	96 Å²	96	62.8 Å²	62.8	42%	0.417	35%	0.346	S	S	.	.	H	α-helix	trans	-63.8	-38.7	178.9	-70.8	-61	178.8	-158.8	0	113	D64 K311 E312 L313 Q318 S319	D64-K315 IonicContact OD1-NZ 3.7Å; D64-K315 PolarHBondContact OD1-NZ 2.87Å; K311-K315 PolarHBondContact O-N 2.92Å; E312-K315 PolarHBondContact O-N 3.39Å; L313-K315 VanDerWaalsContact C-N 3.34Å; L313-K315 PolarHBondContact O-N 3.39Å; K315-Q318 PolarHBondContact O-N 2.89Å; K315-S319 PolarHBondContact O-N 3.48Å; K315-S319 VanDerWaalsContact O-N 3.07Å
316	C	95.9	Very high	89.7	Confident	37 Å²	37	57.2 Å²	57.2	25%	0.25	31%	0.306	C	S	.	.	H	α-helix	trans	-59.5	-53.5	173.5	-176.4	0	0	0	0	110.8	C299 E312 L313 V314 Q318 S319 V320	C299-C316 WeakPolarHBondContact CA-SG 3.36Å; C299-C316 HydrophobicContact CB-CB 3.82Å; C299-C316 WeakPolarHBondContact CB-SG 3.27Å; C299-C316 WeakPolarHBondContact SG-CB 3.28Å; C299-C316 CovalentContact SG-SG 2.04Å; C299-C316 PolarHBondContact SG-SG 3.25Å; E312-C316 WeakPolarHBondContact O-CB 3.13Å; E312-C316 PolarHBondContact O-N 3.07Å; L313-C316 PolarHBondContact O-N 2.91Å; V314-C316 PolarHBondContact O-N 2.86Å; C316-Q318 VanDerWaalsContact C-N 3.29Å; C316-Q318 PolarHBondContact O-N 2.95Å; C316-S319 WeakPolarHBondContact O-CA 3.31Å; C316-S319 WeakPolarHBondContact O-CB 3.38Å; C316-S319 PolarHBondContact O-N 2.82Å; C316-S319 PolarHBondContact O-OG 2.79Å; C316-V320 WeakPolarHBondContact O-CG2 3.06Å; C316-V320 PolarHBondContact O-N 3.46Å; C316-V320 VanDerWaalsContact O-N 3.16Å
317	L	96.2	Very high	90.7	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-60.4	-37.3	179.5	-70.8	168.1	0	0	0	112.7	F67 L202 I209 A294 C299 L313 V314 S319 V320 L325	F67-L317 HydrophobicContact CE2-CB 3.85Å; F67-L317 HydrophobicContact CZ-CB 4.32Å; L202-L317 HydrophobicContact CD2-CD1 4.03Å; I209-L317 HydrophobicContact CD1-CD1 4.29Å; A294-L317 HydrophobicContact CB-CD2 4.25Å; C299-L317 HydrophobicContact CB-CD2 4.44Å; L313-L317 HydrophobicContact CD1-CD1 3.93Å; L313-L317 HydrophobicContact CD1-CG 4.05Å; L313-L317 HydrophobicContact CG-CD1 3.94Å; L313-L317 HydrophobicContact CG-CG 4.48Å; L313-L317 WeakPolarHBondContact O-CG 3.44Å; L313-L317 PolarHBondContact O-N 3.46Å; V314-L317 PolarHBondContact O-N 2.92Å; L317-S319 PolarHBondContact O-N 3.23Å; L317-V320 PolarHBondContact O-N 3.23Å; L317-L325 HydrophobicContact CD2-CD2 4.32Å
318	Q	96.2	Very high	91.7	Very high	15 Å²	15	52.8 Å²	52.8	7%	0.07	27%	0.274	C	S	.	.	H	α-helix	trans	-66	-26	174.6	-74	-179.3	-31.5	0	0	112.9	D64 R66 F67 V314 K315 C316	D64-Q318 PolarHBondContact O-NE2 3.22Å; R66-Q318 HydrophobicContact CB-CG 4.38Å; R66-Q318 PolarHBondContact NH1-O 3.46Å; R66-Q318 PolarHBondContact O-NE2 2.96Å; F67-Q318 HydrophobicContact CD2-CG 3.95Å; F67-Q318 HydrophobicContact CE2-CG 4.13Å; V314-Q318 HydrophobicContact CG1-CG 4.41Å; V314-Q318 WeakPolarHBondContact O-CB 3.14Å; V314-Q318 WeakPolarHBondContact O-CG 3.21Å; V314-Q318 PolarHBondContact O-N 2.9Å; K315-Q318 PolarHBondContact O-N 2.89Å; C316-Q318 VanDerWaalsContact C-N 3.29Å; C316-Q318 PolarHBondContact O-N 2.95Å
319	S	96.7	Very high	92.4	Very high	97 Å²	97	47 Å²	47	68%	0.678	25%	0.247	S	C	*	.	H	α-helix	trans	-85.8	-21.1	178.1	76.2	0	0	0	0	114.5	K315 C316 L317	K315-S319 PolarHBondContact O-N 3.48Å; K315-S319 VanDerWaalsContact O-N 3.07Å; C316-S319 WeakPolarHBondContact O-CA 3.31Å; C316-S319 WeakPolarHBondContact O-CB 3.38Å; C316-S319 PolarHBondContact O-N 2.82Å; C316-S319 PolarHBondContact O-OG 2.79Å; L317-S319 PolarHBondContact O-N 3.23Å
320	V	97.4	Very high	92.4	Very high	18 Å²	18	51.6 Å²	51.6	11%	0.109	26%	0.264	C	S	.	.	S	Bend	trans	-64.8	140.9	178.5	179.4	0	0	0	0	109.3	R66 C316 L317 T324 L325	R66-V320 PolarHBondContact NH1-O 3.38Å; C316-V320 WeakPolarHBondContact O-CG2 3.06Å; C316-V320 PolarHBondContact O-N 3.46Å; C316-V320 VanDerWaalsContact O-N 3.16Å; L317-V320 PolarHBondContact O-N 3.23Å; V320-T324 HydrophobicContact CG1-CG2 3.91Å; V320-L325 HydrophobicContact CB-CD1 4.46Å; V320-L325 HydrophobicContact CB-CD2 4.21Å; V320-L325 HydrophobicContact CB-CG 4.17Å; V320-L325 HydrophobicContact CG1-CD2 3.94Å; V320-L325 HydrophobicContact CG1-CG 3.79Å
321	D	97.3	Very high	92.6	Very high	84 Å²	84	54 Å²	54	45%	0.449	27%	0.272	S	S	.	.			trans	-61.4	142.3	174.7	175.4	-93.4	0	0	0	112	E323 T324 L325	D321-E323 VanDerWaalsContact C-N 3.34Å; D321-E323 PolarHBondContact O-N 3.07Å; D321-E323 WeakPolarHBondContact OD1-CA 3.24Å; D321-E323 WeakPolarHBondContact OD1-CB 3.5Å; D321-E323 PolarHBondContact OD1-N 3.42Å; D321-T324 WeakPolarHBondContact O-CB 3.22Å; D321-T324 PolarHBondContact O-N 2.87Å; D321-T324 PolarHBondContact OD1-N 2.9Å; D321-L325 PolarHBondContact O-N 3.47Å; D321-L325 VanDerWaalsContact O-N 3.15Å
322	S	96.8	Very high	92.4	Very high	10 Å²	10	46 Å²	46	7%	0.07	24%	0.237	C	C	.	.	H	α-helix	trans	-69.4	-30.1	-174.6	54.8	0	0	0	0	113	M90 L325 V326	M90-S322 WeakPolarHBondContact CE-OG 3.28Å; S322-L325 PolarHBondContact O-N 2.98Å; S322-V326 WeakPolarHBondContact O-CB 3.29Å; S322-V326 VanDerWaalsContact O-CG2 3.26Å; S322-V326 WeakPolarHBondContact O-CG2 3.4Å; S322-V326 PolarHBondContact O-N 3.22Å; S322-V326 VanDerWaalsContact O-N 3.13Å
323	E	95.2	Very high	91.5	Very high	106 Å²	106	42 Å²	42	50%	0.495	22%	0.218	S	C	.	.	H	α-helix	trans	-64.5	-43	171.6	-168	179.4	173.1	0	0	110.3	M90 D321 L325 V326 V327	M90-E323 HydrophobicContact CE-CB 4.28Å; D321-E323 VanDerWaalsContact C-N 3.34Å; D321-E323 PolarHBondContact O-N 3.07Å; D321-E323 WeakPolarHBondContact OD1-CA 3.24Å; D321-E323 WeakPolarHBondContact OD1-CB 3.5Å; D321-E323 PolarHBondContact OD1-N 3.42Å; E323-L325 PolarHBondContact O-N 3.42Å; E323-V326 PolarHBondContact O-N 2.97Å; E323-V327 HydrophobicContact CG-CG2 4.5Å; E323-V327 WeakPolarHBondContact O-CG2 3.36Å; E323-V327 PolarHBondContact O-N 2.79Å
324	T	96.2	Very high	90.3	Very high	63 Å²	63	47.9 Å²	47.9	39%	0.387	25%	0.249	S	C	.	.	H	α-helix	trans	-59.8	-44.9	177.4	-60.6	0	0	0	0	111.9	V320 D321 V326 V327 N328	V320-T324 HydrophobicContact CG1-CG2 3.91Å; D321-T324 WeakPolarHBondContact O-CB 3.22Å; D321-T324 PolarHBondContact O-N 2.87Å; D321-T324 PolarHBondContact OD1-N 2.9Å; T324-V326 VanDerWaalsContact C-N 3.34Å; T324-V326 PolarHBondContact O-N 2.68Å; T324-V327 PolarHBondContact O-N 2.75Å; T324-N328 VanDerWaalsContact O-CB 3.32Å; T324-N328 WeakPolarHBondContact O-CB 3.12Å; T324-N328 PolarHBondContact O-N 2.85Å
325	L	95.9	Very high	89	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-61.1	-44.4	177	-69.9	169	0	0	0	111.8	F67 P198 L199 L293 L317 V320 D321 S322 E323 N328 Q329	F67-L325 HydrophobicContact CE1-CD1 4.39Å; F67-L325 HydrophobicContact CZ-CD1 3.74Å; P198-L325 HydrophobicContact CG-CB 4.16Å; L199-L325 HydrophobicContact CD2-CD1 4.12Å; L293-L325 HydrophobicContact CD2-CD2 4.12Å; L293-L325 HydrophobicContact CG-CD2 4.43Å; L317-L325 HydrophobicContact CD2-CD2 4.32Å; V320-L325 HydrophobicContact CB-CD1 4.46Å; V320-L325 HydrophobicContact CB-CD2 4.21Å; V320-L325 HydrophobicContact CB-CG 4.17Å; V320-L325 HydrophobicContact CG1-CD2 3.94Å; V320-L325 HydrophobicContact CG1-CG 3.79Å; D321-L325 PolarHBondContact O-N 3.47Å; D321-L325 VanDerWaalsContact O-N 3.15Å; S322-L325 PolarHBondContact O-N 2.98Å; E323-L325 PolarHBondContact O-N 3.42Å; L325-N328 PolarHBondContact O-N 2.93Å; L325-Q329 PolarHBondContact O-N 2.9Å
326	V	94.5	Very high	87.5	Confident	4 Å²	4	51.8 Å²	51.8	2%	0.024	27%	0.268	C	S	.	.	H	α-helix	trans	-66.1	-39.1	179.8	165.8	0	0	0	0	111.9	M90 P92 S322 E323 T324 Q329	M90-V326 HydrophobicContact CB-CG2 4.24Å; P92-V326 HydrophobicContact CB-CG1 4.33Å; P92-V326 VanDerWaalsContact CD-CG1 3.49Å; P92-V326 HydrophobicContact CG-CG1 3.72Å; S322-V326 WeakPolarHBondContact O-CB 3.29Å; S322-V326 VanDerWaalsContact O-CG2 3.26Å; S322-V326 WeakPolarHBondContact O-CG2 3.4Å; S322-V326 PolarHBondContact O-N 3.22Å; S322-V326 VanDerWaalsContact O-N 3.13Å; E323-V326 PolarHBondContact O-N 2.97Å; T324-V326 VanDerWaalsContact C-N 3.34Å; T324-V326 PolarHBondContact O-N 2.68Å; V326-Q329 WeakPolarHBondContact O-CG 3.24Å; V326-Q329 PolarHBondContact O-NE2 3.3Å; V326-Q329 VanDerWaalsContact O-NE2 3.14Å
327	V	92	Very high	85.9	Confident	65 Å²	65	50.7 Å²	50.7	39%	0.394	26%	0.259	S	S	.	.	H	α-helix	trans	-68.4	-43.2	175.2	170.9	0	0	0	0	110.6	E323 T324 Q329 W330	E323-V327 HydrophobicContact CG-CG2 4.5Å; E323-V327 WeakPolarHBondContact O-CG2 3.36Å; E323-V327 PolarHBondContact O-N 2.79Å; T324-V327 PolarHBondContact O-N 2.75Å; V327-Q329 PolarHBondContact O-N 3.27Å; V327-Q329 VanDerWaalsContact O-N 3.15Å; V327-W330 WeakPolarHBondContact O-CB 3.33Å; V327-W330 PolarHBondContact O-N 2.9Å
328	N	92.9	Very high	84.3	Confident	16 Å²	16	51.9 Å²	51.9	9%	0.086	27%	0.272	C	S	.	.	H	α-helix	trans	-62.8	-22.7	-179.6	-80.5	-16.5	0	0	0	113.7	L293 L296 S297 T324 L325 W330 H331 M332	L293-N328 HydrophobicContact CD1-CB 3.73Å; L296-N328 VanDerWaalsContact C-ND2 3.34Å; L296-N328 HydrophobicContact CB-CB 4.23Å; L296-N328 PolarHBondContact O-ND2 3.13Å; L296-N328 VanDerWaalsContact O-ND2 3.13Å; S297-N328 PolarHBondContact OG-ND2 3.22Å; S297-N328 VanDerWaalsContact OG-ND2 3.09Å; T324-N328 VanDerWaalsContact O-CB 3.32Å; T324-N328 WeakPolarHBondContact O-CB 3.12Å; T324-N328 PolarHBondContact O-N 2.85Å; L325-N328 PolarHBondContact O-N 2.93Å; N328-W330 PolarHBondContact O-N 3.43Å; N328-H331 PolarHBondContact O-N 3.02Å; N328-H331 PolarHBondContact OD1-ND1 2.93Å; N328-H331 VanDerWaalsContact OD1-ND1 3.09Å; N328-M332 WeakPolarHBondContact O-CG 3.41Å; N328-M332 PolarHBondContact O-N 3.16Å; N328-M332 VanDerWaalsContact O-N 3.1Å
329	Q	89.3	Confident	82.7	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-58.2	-32.7	172.3	93.4	-171.8	-41.1	0	0	112.8	L325 V326 V327 M332 F371	L325-Q329 PolarHBondContact O-N 2.9Å; V326-Q329 WeakPolarHBondContact O-CG 3.24Å; V326-Q329 PolarHBondContact O-NE2 3.3Å; V326-Q329 VanDerWaalsContact O-NE2 3.14Å; V327-Q329 PolarHBondContact O-N 3.27Å; V327-Q329 VanDerWaalsContact O-N 3.15Å; Q329-M332 WeakPolarHBondContact O-CB 3.16Å; Q329-F371 HydrophobicContact CB-CD2 4.26Å; Q329-F371 HydrophobicContact CB-CE2 3.82Å
330	W	78.6	Confident	81.4	Confident	124 Å²	124	56.9 Å²	56.9	47%	0.47	29%	0.289	S	S	.	.	H	α-helix	trans	-74.7	-40	177.9	-73.9	118.5	0	0	0	111.7	P92 I167 V327 N328 M332 H333 L334	P92-W330 VanDerWaalsContact CG-NE1 3.31Å; I167-W330 HydrophobicContact CD1-CH2 3.85Å; I167-W330 HydrophobicContact CD1-CZ2 3.82Å; V327-W330 WeakPolarHBondContact O-CB 3.33Å; V327-W330 PolarHBondContact O-N 2.9Å; N328-W330 PolarHBondContact O-N 3.43Å; W330-M332 PolarHBondContact O-N 2.67Å; W330-H333 WeakPolarHBondContact O-CB 3.39Å; W330-H333 PolarHBondContact O-N 3.07Å; W330-H333 VanDerWaalsContact O-N 3.07Å; W330-L334 PolarHBondContact O-N 2.97Å
331	H	80.9	Confident	80.4	Confident	82 Å²	82	57 Å²	57	38%	0.38	29%	0.291	S	S	.	.	H	α-helix	trans	-58.4	-35.5	173.8	-63.3	135.7	0	0	0	111.7	L296 N328 H333 L334 L335	L296-H331 HydrophobicContact CD1-CB 3.96Å; L296-H331 HydrophobicContact CD2-CB 4.43Å; N328-H331 PolarHBondContact O-N 3.02Å; N328-H331 PolarHBondContact OD1-ND1 2.93Å; N328-H331 VanDerWaalsContact OD1-ND1 3.09Å; H331-H333 VanDerWaalsContact C-N 3.34Å; H331-H333 PolarHBondContact O-N 3.42Å; H331-L334 PolarHBondContact O-N 2.9Å; H331-L335 WeakPolarHBondContact O-CG 3.45Å; H331-L335 PolarHBondContact O-N 3.3Å; H331-L335 VanDerWaalsContact O-N 3.1Å
332	M	81.9	Confident	79.7	Confident	7 Å²	7	56 Å²	56	3%	0.034	29%	0.291	C	S	.	.	H	α-helix	trans	-60.1	-42.4	174.6	-65.7	172.4	62.5	0	0	112.7	K289 L292 L293 L296 N328 Q329 W330 L334 L335 R336 F371	K289-M332 HydrophobicContact CB-CE 3.59Å; K289-M332 HydrophobicContact CG-CE 3.97Å; K289-M332 WeakPolarHBondContact O-CE 3.49Å; L292-M332 HydrophobicContact CB-CE 4.48Å; L292-M332 HydrophobicContact CD2-CB 3.98Å; L292-M332 HydrophobicContact CD2-CG 3.98Å; L292-M332 HydrophobicContact CG-CG 4.06Å; L293-M332 HydrophobicContact CB-CE 4.36Å; L293-M332 HydrophobicContact CB-SD 3.62Å; L293-M332 HydrophobicContact CD1-CG 4.45Å; L293-M332 HydrophobicContact CD1-SD 3.58Å; L293-M332 VanDerWaalsContact CD1-SD 3.58Å; L293-M332 HydrophobicContact CG-SD 4.15Å; L296-M332 HydrophobicContact CD1-CG 3.64Å; N328-M332 WeakPolarHBondContact O-CG 3.41Å; N328-M332 PolarHBondContact O-N 3.16Å; N328-M332 VanDerWaalsContact O-N 3.1Å; Q329-M332 WeakPolarHBondContact O-CB 3.16Å; W330-M332 PolarHBondContact O-N 2.67Å; M332-L334 VanDerWaalsContact C-N 3.32Å; M332-L334 PolarHBondContact O-N 2.94Å; M332-L335 PolarHBondContact O-N 3.45Å; M332-R336 WeakPolarHBondContact O-CB 3.4Å; M332-R336 PolarHBondContact O-N 3.4Å; M332-F371 HydrophobicContact CE-CE2 4.4Å; M332-F371 HydrophobicContact CE-CZ 3.91Å; M332-F371 HydrophobicContact SD-CE2 3.96Å; M332-F371 HydrophobicContact SD-CZ 3.76Å
333	H	68.4	Low	79.2	Confident	50 Å²	50	55.9 Å²	55.9	23%	0.231	29%	0.288	C	S	.	.	H	α-helix	trans	-63.4	-40.6	-179	-172.5	79.2	0	0	0	111.5	W330 H331 L335 D368	W330-H333 WeakPolarHBondContact O-CB 3.39Å; W330-H333 PolarHBondContact O-N 3.07Å; W330-H333 VanDerWaalsContact O-N 3.07Å; H331-H333 VanDerWaalsContact C-N 3.34Å; H331-H333 PolarHBondContact O-N 3.42Å; H333-L335 VanDerWaalsContact C-N 3.34Å; H333-L335 PolarHBondContact O-N 3.4Å; H333-D368 IonicContact CE1-OD2 2.8Å; H333-D368 IonicContact ND1-OD2 3.44Å; H333-D368 PolarHBondContact ND1-OD2 3.46Å
334	L	67.4	Low	78.7	Confident	127 Å²	127	50.8 Å²	50.8	67%	0.665	27%	0.265	S	S	*	.	H	α-helix	trans	-64.2	-38.3	175.4	-64.1	173.9	0	0	0	112.3	W330 H331 M332	W330-L334 PolarHBondContact O-N 2.97Å; H331-L334 PolarHBondContact O-N 2.9Å; M332-L334 VanDerWaalsContact C-N 3.32Å; M332-L334 PolarHBondContact O-N 2.94Å
335	L	65.5	Low	78.4	Confident	97 Å²	97	51.6 Å²	51.6	51%	0.508	27%	0.267	S	S	.	.	H	α-helix	trans	-78.8	-34	-178.4	-68.2	172.3	0	0	0	113.2	L292 L296 H331 M332 H333 N337 G338	L292-L335 HydrophobicContact CD1-CD1 4.13Å; L292-L335 HydrophobicContact CD2-CB 4.32Å; L296-L335 HydrophobicContact CD1-CD1 4.18Å; L296-L335 HydrophobicContact CD2-CD1 3.82Å; L296-L335 HydrophobicContact CG-CD1 4.4Å; H331-L335 WeakPolarHBondContact O-CG 3.45Å; H331-L335 PolarHBondContact O-N 3.3Å; H331-L335 VanDerWaalsContact O-N 3.1Å; M332-L335 PolarHBondContact O-N 3.45Å; H333-L335 VanDerWaalsContact C-N 3.34Å; H333-L335 PolarHBondContact O-N 3.4Å; L335-N337 VanDerWaalsContact C-N 3.3Å; L335-N337 PolarHBondContact O-N 2.67Å; L335-G338 PolarHBondContact O-N 3.37Å
336	R	63.3	Low	78	Confident	85 Å²	85	54.3 Å²	54.3	32%	0.321	28%	0.279	S	S	.	.	H	α-helix	trans	-66.3	-33.5	-177.5	-158.2	179.6	101.7	-161.5	8.9	112.3	M332 G338 S341 D368	M332-R336 WeakPolarHBondContact O-CB 3.4Å; M332-R336 PolarHBondContact O-N 3.4Å; R336-G338 PolarHBondContact O-N 3.3Å; R336-S341 WeakPolarHBondContact O-CB 3.38Å; R336-D368 IonicContact CZ-OD1 3.61Å; R336-D368 VanDerWaalsContact CZ-OD1 3.31Å; R336-D368 IonicContact CZ-OD2 2.57Å; R336-D368 IonicContact NE-OD2 3.32Å; R336-D368 VanDerWaalsContact NH1-CG 3.35Å; R336-D368 IonicContact NH1-OD1 3.96Å; R336-D368 PolarHBondContact NH1-OD1 3.17Å; R336-D368 IonicContact NH1-OD2 3.7Å; R336-D368 PolarHBondContact NH1-OD2 2.91Å; R336-D368 IonicContact NH2-OD1 3.62Å; R336-D368 PolarHBondContact NH2-OD1 3.15Å; R336-D368 IonicContact NH2-OD2 2.64Å; R336-D368 PolarHBondContact NH2-OD2 2.64Å
337	N	60.9	Low	77.9	Confident	13 Å²	13	54.1 Å²	54.1	7%	0.07	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	16.1	174.6	-64	-30.4	0	0	0	112.8	L335 A363 G364	L335-N337 VanDerWaalsContact C-N 3.3Å; L335-N337 PolarHBondContact O-N 2.67Å; N337-A363 WeakPolarHBondContact CB-O 3.34Å; N337-G364 VanDerWaalsContact ND2-CA 3.33Å; N337-G364 WeakPolarHBondContact ND2-CA 3.31Å
338	G	62.2	Low	77.9	Confident	26 Å²	26	53 Å²	53	27%	0.268	27%	0.268	S	S	.	.	S	Bend	trans	-62.6	167.7	177.3	0	0	0	0	0	113.5	L335 R336 N340 S341 T344	L335-G338 PolarHBondContact O-N 3.37Å; R336-G338 PolarHBondContact O-N 3.3Å; G338-N340 PolarHBondContact O-N 2.98Å; G338-S341 WeakPolarHBondContact O-CB 3.34Å; G338-S341 PolarHBondContact O-N 3.49Å; G338-S341 PolarHBondContact O-OG 2.66Å; G338-T344 PolarHBondContact O-OG1 3.41Å
339	E	63	Low	77.8	Confident	78 Å²	78	60.6 Å²	60.6	36%	0.364	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-23.4	-170.8	-79.1	-155.2	90	0	0	118.1	T344 K348 H357	E339-T344 VanDerWaalsContact O-CG2 3.26Å; E339-T344 WeakPolarHBondContact O-CG2 3.38Å; E339-K348 PolarHBondContact O-NZ 3.33Å; E339-K348 IonicContact OE1-NZ 3.37Å; E339-H357 WeakPolarHBondContact CG-NE2 3.29Å; E339-H357 IonicContact OE1-CD2 2.63Å; E339-H357 PolarHBondContact OE1-CD2 3.11Å; E339-H357 IonicContact OE1-CG 3.06Å; E339-H357 IonicContact OE1-NE2 3.4Å; E339-H357 PolarHBondContact OE1-NE2 3.4Å; E339-H357 IonicContact OE2-CD2 3.05Å; E339-H357 PolarHBondContact OE2-CD2 3.1Å; E339-H357 IonicContact OE2-CE1 3.99Å; E339-H357 IonicContact OE2-NE2 2.84Å; E339-H357 PolarHBondContact OE2-NE2 3.26Å
340	N	69.4	Low	77.9	Confident	139 Å²	139	62.8 Å²	62.8	74%	0.743	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	6.7	-173.9	-65.9	-25	0	0	0	112.8	G338 N345	G338-N340 PolarHBondContact O-N 2.98Å; N340-N345 PolarHBondContact O-ND2 2.88Å
341	S	76.9	Confident	78.5	Confident	21 Å²	21	59 Å²	59	15%	0.147	30%	0.298	C	S	.	.	S	Bend	trans	-64.4	154.6	177.3	80.8	0	0	0	0	111.9	R336 G338 R343 T344 N345	R336-S341 WeakPolarHBondContact O-CB 3.38Å; G338-S341 WeakPolarHBondContact O-CB 3.34Å; G338-S341 PolarHBondContact O-N 3.49Å; G338-S341 PolarHBondContact O-OG 2.66Å; S341-R343 VanDerWaalsContact C-N 3.27Å; S341-R343 PolarHBondContact O-N 3.28Å; S341-T344 PolarHBondContact O-N 3.04Å; S341-T344 WeakPolarHBondContact OG-CB 3.49Å; S341-T344 PolarHBondContact OG-N 3.45Å; S341-T344 PolarHBondContact OG-OG1 3.08Å; S341-N345 PolarHBondContact O-N 3.3Å; S341-N345 PolarHBondContact O-ND2 3.18Å; S341-N345 VanDerWaalsContact O-ND2 3.16Å
342	S	82.4	Confident	78.9	Confident	63 Å²	63	64.3 Å²	64.3	44%	0.441	31%	0.314	S	S	.	.	H	α-helix	trans	-49.8	-50.5	172.8	168.4	0	0	0	0	110.9	T344 N345 Q346 E453	S342-T344 PolarHBondContact O-N 2.84Å; S342-N345 PolarHBondContact O-N 3.25Å; S342-Q346 WeakPolarHBondContact O-CG 3.39Å; S342-Q346 PolarHBondContact O-N 2.73Å; S342-E453 WeakPolarHBondContact CB-OE2 3.26Å; S342-E453 PolarHBondContact OG-OE2 3.1Å
343	R	86.1	Confident	79.1	Confident	6 Å²	6	70 Å²	70	2%	0.023	35%	0.345	C	S	.	.	H	α-helix	trans	-57.6	-50.7	178.2	-176.4	178.1	-170.7	74.5	-2	112.3	S341 N345 Q346 L347 Y365 A447 F448 M451 L456	S341-R343 VanDerWaalsContact C-N 3.27Å; S341-R343 PolarHBondContact O-N 3.28Å; R343-N345 VanDerWaalsContact C-N 3.27Å; R343-N345 PolarHBondContact O-N 3.29Å; R343-Q346 PolarHBondContact O-N 3.08Å; R343-Q346 VanDerWaalsContact O-N 3.13Å; R343-L347 HydrophobicContact CG-CD1 4.06Å; R343-L347 WeakPolarHBondContact O-CG 3.17Å; R343-L347 PolarHBondContact O-N 3.15Å; R343-Y365 PolarHBondContact NH1-OH 3.45Å; R343-A447 PolarHBondContact NH2-O 3.41Å; R343-F448 PolarHBondContact NE-O 3.38Å; R343-F448 PolarHBondContact NH2-O 3.15Å; R343-M451 PolarHBondContact NH1-O 2.9Å; R343-M451 PolarHBondContact NH2-O 3.26Å; R343-M451 VanDerWaalsContact NH2-O 3.14Å; R343-L456 HydrophobicContact CG-CD1 4.16Å
344	T	85.8	Confident	79.9	Confident	0 Å²	0	76.8 Å²	76.8	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-60.8	-39.6	-179.6	-54.8	0	0	0	0	111.2	G338 E339 S341 S342 L347 K348 L360	G338-T344 PolarHBondContact O-OG1 3.41Å; E339-T344 VanDerWaalsContact O-CG2 3.26Å; E339-T344 WeakPolarHBondContact O-CG2 3.38Å; S341-T344 PolarHBondContact O-N 3.04Å; S341-T344 WeakPolarHBondContact OG-CB 3.49Å; S341-T344 PolarHBondContact OG-N 3.45Å; S341-T344 PolarHBondContact OG-OG1 3.08Å; S342-T344 PolarHBondContact O-N 2.84Å; T344-L347 PolarHBondContact O-N 3.3Å; T344-K348 HydrophobicContact CG2-CD 4.23Å; T344-K348 HydrophobicContact CG2-CG 4.49Å; T344-K348 WeakPolarHBondContact O-CB 3.46Å; T344-K348 VanDerWaalsContact O-CG 3.3Å; T344-K348 WeakPolarHBondContact O-CG 3.32Å; T344-K348 PolarHBondContact O-N 3.27Å; T344-L360 HydrophobicContact CG2-CB 3.96Å; T344-L360 HydrophobicContact CG2-CD2 4.18Å; T344-L360 HydrophobicContact CG2-CG 4.47Å
345	N	88.3	Confident	80.6	Confident	80 Å²	80	71.7 Å²	71.7	43%	0.428	35%	0.345	S	S	.	.	H	α-helix	trans	-65.4	-40.1	175.8	-70.2	-34	0	0	0	112.4	N340 S341 S342 R343 K348 K349	N340-N345 PolarHBondContact O-ND2 2.88Å; S341-N345 PolarHBondContact O-N 3.3Å; S341-N345 PolarHBondContact O-ND2 3.18Å; S341-N345 VanDerWaalsContact O-ND2 3.16Å; S342-N345 PolarHBondContact O-N 3.25Å; R343-N345 VanDerWaalsContact C-N 3.27Å; R343-N345 PolarHBondContact O-N 3.29Å; N345-K348 PolarHBondContact O-N 2.86Å; N345-K349 WeakPolarHBondContact O-CB 3.41Å; N345-K349 PolarHBondContact O-N 3.43Å
346	Q	89.2	Confident	81.5	Confident	57 Å²	57	70.2 Å²	70.2	27%	0.266	34%	0.343	S	S	.	.	H	α-helix	trans	-65.4	-42.5	174.7	-70.2	-178	12.2	0	0	112.1	S342 R343 K349 L350 E453 L456	S342-Q346 WeakPolarHBondContact O-CG 3.39Å; S342-Q346 PolarHBondContact O-N 2.73Å; R343-Q346 PolarHBondContact O-N 3.08Å; R343-Q346 VanDerWaalsContact O-N 3.13Å; Q346-K349 WeakPolarHBondContact O-CB 3.47Å; Q346-K349 PolarHBondContact O-N 3.16Å; Q346-L350 WeakPolarHBondContact O-CB 3.06Å; Q346-L350 PolarHBondContact O-N 3.03Å; Q346-E453 PolarHBondContact OE1-O 3.28Å; Q346-L456 HydrophobicContact CB-CD1 4.32Å
347	L	91.4	Very high	82.4	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-63.9	-44.8	175.1	-70.5	170.2	0	0	0	111.6	R343 T344 K349 L350 Y351 L360 A363 F448 L456	R343-L347 HydrophobicContact CG-CD1 4.06Å; R343-L347 WeakPolarHBondContact O-CG 3.17Å; R343-L347 PolarHBondContact O-N 3.15Å; T344-L347 PolarHBondContact O-N 3.3Å; L347-K349 VanDerWaalsContact C-N 3.27Å; L347-K349 PolarHBondContact O-N 3.05Å; L347-L350 PolarHBondContact O-N 2.8Å; L347-Y351 HydrophobicContact CD2-CE2 4.13Å; L347-Y351 WeakPolarHBondContact O-CD2 3.44Å; L347-Y351 PolarHBondContact O-N 2.04Å; L347-L360 HydrophobicContact CB-CD2 3.73Å; L347-L360 HydrophobicContact CD1-CD2 4.49Å; L347-A363 HydrophobicContact CD1-CB 3.49Å; L347-A363 VanDerWaalsContact CD1-CB 3.49Å; L347-F448 HydrophobicContact CD1-CD1 3.96Å; L347-F448 HydrophobicContact CD1-CE1 4.08Å; L347-F448 HydrophobicContact CD1-CG 4.41Å; L347-F448 HydrophobicContact CD2-CD2 4.31Å; L347-F448 HydrophobicContact CD2-CE2 4.38Å; L347-F448 HydrophobicContact CD2-CG 4.49Å; L347-L456 HydrophobicContact CD2-CD1 4.1Å; L347-L456 HydrophobicContact CD2-CD2 4.43Å; L347-L456 HydrophobicContact CG-CD1 4.16Å
348	K	91.5	Very high	83.3	Confident	40 Å²	40	76.1 Å²	76.1	17%	0.174	37%	0.373	C	S	.	.	H	α-helix	trans	-52.8	-46.1	172.6	-81.1	172.3	176.7	170.5	0	111	E339 T344 N345 R352 N353 L360	E339-K348 PolarHBondContact O-NZ 3.33Å; E339-K348 IonicContact OE1-NZ 3.37Å; T344-K348 HydrophobicContact CG2-CD 4.23Å; T344-K348 HydrophobicContact CG2-CG 4.49Å; T344-K348 WeakPolarHBondContact O-CB 3.46Å; T344-K348 VanDerWaalsContact O-CG 3.3Å; T344-K348 WeakPolarHBondContact O-CG 3.32Å; T344-K348 PolarHBondContact O-N 3.27Å; N345-K348 PolarHBondContact O-N 2.86Å; K348-R352 PolarHBondContact O-N 3.08Å; K348-N353 PolarHBondContact O-N 3.35Å; K348-L360 HydrophobicContact CD-CD1 4.37Å; K348-L360 HydrophobicContact CG-CD1 3.64Å; K348-L360 HydrophobicContact CG-CD2 4.29Å
349	K	91.1	Very high	84.2	Confident	177 Å²	177	76.4 Å²	76.4	77%	0.77	37%	0.368	S	S	*	.	H	α-helix	trans	-65	-48.2	176.7	-174.4	179.2	179.4	-179.5	0	112.3	N345 Q346 L347 Y351 R352	N345-K349 WeakPolarHBondContact O-CB 3.41Å; N345-K349 PolarHBondContact O-N 3.43Å; Q346-K349 WeakPolarHBondContact O-CB 3.47Å; Q346-K349 PolarHBondContact O-N 3.16Å; L347-K349 VanDerWaalsContact C-N 3.27Å; L347-K349 PolarHBondContact O-N 3.05Å; K349-Y351 VanDerWaalsContact C-N 3.31Å; K349-Y351 PolarHBondContact O-N 2.73Å; K349-R352 PolarHBondContact O-N 3.05Å
350	L	91.1	Very high	85.1	Confident	47 Å²	47	73 Å²	73	25%	0.246	35%	0.352	C	S	.	.	H	α-helix	trans	-58.4	-43.4	-178.7	-177.9	63.3	0	0	0	111.6	Q346 L347 L461	Q346-L350 WeakPolarHBondContact O-CB 3.06Å; Q346-L350 PolarHBondContact O-N 3.03Å; L347-L350 PolarHBondContact O-N 2.8Å; L350-L461 HydrophobicContact CD2-CD1 3.55Å
351	Y	90.9	Very high	85.5	Confident	44 Å²	44	68.7 Å²	68.7	17%	0.173	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	9.2	-179	-69	-83.1	0	0	0	114.2	L347 K349 N353 R354 D444 F448	L347-Y351 HydrophobicContact CD2-CE2 4.13Å; L347-Y351 WeakPolarHBondContact O-CD2 3.44Å; L347-Y351 PolarHBondContact O-N 2.04Å; K349-Y351 VanDerWaalsContact C-N 3.31Å; K349-Y351 PolarHBondContact O-N 2.73Å; Y351-N353 VanDerWaalsContact C-N 3.3Å; Y351-N353 PolarHBondContact O-N 2.81Å; Y351-R354 WeakPolarHBondContact O-CB 3.47Å; Y351-R354 PolarHBondContact O-N 2.89Å; Y351-R354 VanDerWaalsContact O-N 3.12Å; Y351-R354 PolarHBondContact O-NE 2.76Å; Y351-D444 WeakPolarHBondContact CE1-OD1 3.5Å; Y351-D444 VanDerWaalsContact CZ-OD1 3.26Å; Y351-D444 WeakPolarHBondContact OH-CA 3.33Å; Y351-D444 PolarHBondContact OH-OD1 3.09Å; Y351-F448 AromaticContact CD2-CE2 3.92Å; Y351-F448 HydrophobicContact CD2-CE2 3.92Å; Y351-F448 HydrophobicContact CD2-CZ 4.16Å; Y351-F448 HydrophobicContact CE1-CE2 4.46Å; Y351-F448 HydrophobicContact CE2-CD2 4.16Å; Y351-F448 AromaticContact CE2-CE2 3.39Å; Y351-F448 HydrophobicContact CE2-CE2 3.39Å; Y351-F448 HydrophobicContact CE2-CZ 4.08Å; Y351-F448 AromaticContact CZ-CE2 3.7Å
352	R	91.2	Very high	85.5	Confident	194 Å²	194	69.6 Å²	69.6	73%	0.732	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	44.7	-179.8	-53.4	-177.7	-174.3	170.1	0.1	113	K348 K349 R354	K348-R352 PolarHBondContact O-N 3.08Å; K349-R352 PolarHBondContact O-N 3.05Å; R352-R354 PolarHBondContact O-N 2.82Å; R352-R354 VanDerWaalsContact O-N 3.16Å
353	N	85.2	Confident	85.2	Confident	126 Å²	126	66.6 Å²	66.6	67%	0.674	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	20.2	-178.5	-58.1	-44.5	0	0	0	115.2	K348 Y351	K348-N353 PolarHBondContact O-N 3.35Å; Y351-N353 VanDerWaalsContact C-N 3.3Å; Y351-N353 PolarHBondContact O-N 2.81Å
354	R	84.9	Confident	84.3	Confident	192 Å²	192	66.8 Å²	66.8	73%	0.725	32%	0.321	S	S	*	.			trans	-89.4	-16.2	177.7	-67.9	-178.4	-79.5	177.2	-3.4	114	Y351 R352	Y351-R354 WeakPolarHBondContact O-CB 3.47Å; Y351-R354 PolarHBondContact O-N 2.89Å; Y351-R354 VanDerWaalsContact O-N 3.12Å; Y351-R354 PolarHBondContact O-NE 2.76Å; R352-R354 PolarHBondContact O-N 2.82Å; R352-R354 VanDerWaalsContact O-N 3.16Å
355	A	82.3	Confident	83.3	Confident	20 Å²	20	67.9 Å²	67.9	17%	0.165	33%	0.325	C	S	.	.	S	Bend	trans	-68.1	138.5	174.9	0	0	0	0	0	110.3	L360 F448	A355-L360 HydrophobicContact CB-CD1 4.13Å; A355-L360 HydrophobicContact CB-CD2 4.04Å; A355-L360 HydrophobicContact CB-CG 3.92Å; A355-F448 HydrophobicContact CB-CZ 3.97Å
356	S	84.6	Confident	82.6	Confident	67 Å²	67	64.2 Å²	64.2	47%	0.469	31%	0.305	S	S	.	.			trans	-67.6	150.8	179.2	73.4	0	0	0	0	111	H358 L359 L360	S356-H358 VanDerWaalsContact C-N 3.29Å; S356-H358 PolarHBondContact O-N 2.92Å; S356-L359 PolarHBondContact O-N 2.84Å; S356-L359 WeakPolarHBondContact OG-CB 3.41Å; S356-L359 PolarHBondContact OG-N 2.96Å; S356-L360 WeakPolarHBondContact O-CG 3.49Å; S356-L360 PolarHBondContact O-N 3.21Å
357	H	81.3	Confident	82	Confident	106 Å²	106	61.8 Å²	61.8	49%	0.491	29%	0.294	S	S	.	.	H	α-helix	trans	-55.1	-45.4	175.7	178.7	-76.1	0	0	0	112.2	E339 L359 L360 S361	E339-H357 WeakPolarHBondContact CG-NE2 3.29Å; E339-H357 IonicContact OE1-CD2 2.63Å; E339-H357 PolarHBondContact OE1-CD2 3.11Å; E339-H357 IonicContact OE1-CG 3.06Å; E339-H357 IonicContact OE1-NE2 3.4Å; E339-H357 PolarHBondContact OE1-NE2 3.4Å; E339-H357 IonicContact OE2-CD2 3.05Å; E339-H357 PolarHBondContact OE2-CD2 3.1Å; E339-H357 IonicContact OE2-CE1 3.99Å; E339-H357 IonicContact OE2-NE2 2.84Å; E339-H357 PolarHBondContact OE2-NE2 3.26Å; H357-L359 PolarHBondContact O-N 3.34Å; H357-L360 PolarHBondContact O-N 3.36Å; H357-S361 PolarHBondContact O-N 2.91Å
358	H	79.7	Confident	81.4	Confident	115 Å²	115	62.5 Å²	62.5	53%	0.532	30%	0.298	S	S	.	.	H	α-helix	trans	-58.7	-47.8	178.1	-178	60.3	0	0	0	112	S356 L360 S361 T362	S356-H358 VanDerWaalsContact C-N 3.29Å; S356-H358 PolarHBondContact O-N 2.92Å; H358-L360 VanDerWaalsContact C-N 3.32Å; H358-L360 PolarHBondContact O-N 2.95Å; H358-S361 PolarHBondContact O-N 2.83Å; H358-S361 VanDerWaalsContact O-N 3.13Å; H358-S361 PolarHBondContact O-OG 2.93Å; H358-T362 PolarHBondContact O-N 3.43Å
359	L	81.6	Confident	81	Confident	33 Å²	33	61 Å²	61	17%	0.173	29%	0.292	C	S	.	.	H	α-helix	trans	-65.4	-36.4	178.3	179.1	62.7	0	0	0	112.4	S356 H357 S361 T362 A363 M440 F448	S356-L359 PolarHBondContact O-N 2.84Å; S356-L359 WeakPolarHBondContact OG-CB 3.41Å; S356-L359 PolarHBondContact OG-N 2.96Å; H357-L359 PolarHBondContact O-N 3.34Å; L359-S361 VanDerWaalsContact C-N 3.28Å; L359-S361 PolarHBondContact O-N 3.14Å; L359-T362 PolarHBondContact O-N 3.5Å; L359-T362 PolarHBondContact O-OG1 2.95Å; L359-A363 PolarHBondContact O-N 3.39Å; L359-M440 HydrophobicContact CD1-CE 4.06Å; L359-M440 HydrophobicContact CD1-SD 3.51Å; L359-M440 VanDerWaalsContact CD1-SD 3.51Å; L359-M440 HydrophobicContact CD2-CE 4.05Å; L359-M440 HydrophobicContact CD2-SD 3.97Å; L359-M440 HydrophobicContact CG-SD 4.38Å; L359-F448 HydrophobicContact CD1-CD1 4.15Å; L359-F448 HydrophobicContact CD1-CE1 4.29Å; L359-F448 HydrophobicContact CD2-CD1 4.39Å; L359-F448 HydrophobicContact CD2-CE1 3.83Å; L359-F448 HydrophobicContact CD2-CE2 4.27Å; L359-F448 HydrophobicContact CD2-CZ 3.74Å; L359-F448 HydrophobicContact CG-CD1 3.9Å; L359-F448 HydrophobicContact CG-CE1 3.53Å; L359-F448 HydrophobicContact CG-CZ 4.01Å
360	L	83.1	Confident	80.7	Confident	5 Å²	5	53 Å²	53	3%	0.026	26%	0.258	C	S	.	.	H	α-helix	trans	-67.7	-30.1	175.1	-73.5	168.4	0	0	0	112.4	T344 L347 K348 A355 S356 H357 H358 A363 F448	T344-L360 HydrophobicContact CG2-CB 3.96Å; T344-L360 HydrophobicContact CG2-CD2 4.18Å; T344-L360 HydrophobicContact CG2-CG 4.47Å; L347-L360 HydrophobicContact CB-CD2 3.73Å; L347-L360 HydrophobicContact CD1-CD2 4.49Å; K348-L360 HydrophobicContact CD-CD1 4.37Å; K348-L360 HydrophobicContact CG-CD1 3.64Å; K348-L360 HydrophobicContact CG-CD2 4.29Å; A355-L360 HydrophobicContact CB-CD1 4.13Å; A355-L360 HydrophobicContact CB-CD2 4.04Å; A355-L360 HydrophobicContact CB-CG 3.92Å; S356-L360 WeakPolarHBondContact O-CG 3.49Å; S356-L360 PolarHBondContact O-N 3.21Å; H357-L360 PolarHBondContact O-N 3.36Å; H358-L360 VanDerWaalsContact C-N 3.32Å; H358-L360 PolarHBondContact O-N 2.95Å; L360-A363 VanDerWaalsContact O-CB 3.31Å; L360-A363 WeakPolarHBondContact O-CB 3.11Å; L360-A363 PolarHBondContact O-N 2.9Å; L360-F448 HydrophobicContact CD2-CE1 4.02Å; L360-F448 HydrophobicContact CD2-CZ 4.41Å
361	S	76.6	Confident	80.7	Confident	50 Å²	50	50.9 Å²	50.9	35%	0.35	25%	0.247	S	C	.	.	H	α-helix	trans	-75.8	-22.9	176.9	74.3	0	0	0	0	113.5	H357 H358 L359	H357-S361 PolarHBondContact O-N 2.91Å; H358-S361 PolarHBondContact O-N 2.83Å; H358-S361 VanDerWaalsContact O-N 3.13Å; H358-S361 PolarHBondContact O-OG 2.93Å; L359-S361 VanDerWaalsContact C-N 3.28Å; L359-S361 PolarHBondContact O-N 3.14Å
362	T	76.6	Confident	80.8	Confident	40 Å²	40	49.3 Å²	49.3	25%	0.245	24%	0.241	C	C	.	.	H	α-helix	trans	-86.8	-10.7	172.8	62.9	0	0	0	0	112.3	H358 L359 G364 M418 Y449	H358-T362 PolarHBondContact O-N 3.43Å; L359-T362 PolarHBondContact O-N 3.5Å; L359-T362 PolarHBondContact O-OG1 2.95Å; T362-G364 PolarHBondContact O-N 3.08Å; T362-M418 HydrophobicContact CG2-CE 4.42Å; T362-M418 HydrophobicContact CG2-SD 4.32Å; T362-Y449 WeakPolarHBondContact O-CE1 3.46Å; T362-Y449 PolarHBondContact OG1-OH 3.13Å; T362-Y449 VanDerWaalsContact OG1-OH 3.11Å
363	A	76	Confident	81.1	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.206	C	C	.	.			trans	-65.8	99.5	-179	0	0	0	0	0	110.5	N337 L347 L359 L360 F448	N337-A363 WeakPolarHBondContact CB-O 3.34Å; L347-A363 HydrophobicContact CD1-CB 3.49Å; L347-A363 VanDerWaalsContact CD1-CB 3.49Å; L359-A363 PolarHBondContact O-N 3.39Å; L360-A363 VanDerWaalsContact O-CB 3.31Å; L360-A363 WeakPolarHBondContact O-CB 3.11Å; L360-A363 PolarHBondContact O-N 2.9Å; A363-F448 HydrophobicContact CB-CD1 3.81Å; A363-F448 HydrophobicContact CB-CE1 4.41Å
364	G	68.8	Low	81.6	Confident	10 Å²	10	34.1 Å²	34.1	10%	0.103	17%	0.174	C	C	.	.			trans	-137.3	159.7	-179	0	0	0	0	0	111	N337 T362 Y366	N337-G364 VanDerWaalsContact ND2-CA 3.33Å; N337-G364 WeakPolarHBondContact ND2-CA 3.31Å; T362-G364 PolarHBondContact O-N 3.08Å; G364-Y366 PolarHBondContact O-N 3.34Å
365	Y	63.5	Low	82.3	Confident	23 Å²	23	25.8 Å²	25.8	9%	0.09	14%	0.144	C	C	.	.			trans	-77.4	118.4	-178.9	-86.9	-68.1	0	0	0	112.4	W277 R343 F367 D368 M451 E453	W277-Y365 HydrophobicContact CH2-CD1 4.29Å; W277-Y365 HydrophobicContact CH2-CG 4.15Å; W277-Y365 HydrophobicContact CZ2-CD1 4.46Å; R343-Y365 PolarHBondContact NH1-OH 3.45Å; Y365-F367 PolarHBondContact O-N 2.69Å; Y365-D368 WeakPolarHBondContact O-CB 3.47Å; Y365-D368 PolarHBondContact O-N 3.02Å; Y365-D368 VanDerWaalsContact O-N 3.14Å; Y365-M451 WeakPolarHBondContact CE1-O 3.49Å; Y365-E453 WeakPolarHBondContact OH-CA 3.24Å; Y365-E453 WeakPolarHBondContact OH-CB 3.44Å; Y365-E453 VanDerWaalsContact OH-CG 3.3Å; Y365-E453 WeakPolarHBondContact OH-CG 3.37Å; Y365-E453 PolarHBondContact OH-N 2.86Å
366	Y	73	Confident	82.9	Confident	2 Å²	2	25.4 Å²	25.4	1%	0.008	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.3	125.6	148.7	-176.3	-103.3	0	0	0	109.9	W277 G364 G408 H411 L412 Y449 I450 G493 N497	W277-Y366 WeakPolarHBondContact CZ2-O 3.34Å; G364-Y366 PolarHBondContact O-N 3.34Å; Y366-G408 WeakPolarHBondContact OH-CA 3.49Å; Y366-G408 PolarHBondContact OH-O 2.88Å; Y366-H411 HydrophobicContact CD2-CB 4.22Å; Y366-H411 VanDerWaalsContact CE2-C 3.5Å; Y366-H411 HydrophobicContact CE2-CB 3.67Å; Y366-L412 HydrophobicContact CE2-CB 3.99Å; Y366-L412 HydrophobicContact CE2-CD1 4.21Å; Y366-Y449 WeakPolarHBondContact CB-O 3.27Å; Y366-Y449 PolarHBondContact N-O 3.38Å; Y366-I450 HydrophobicContact CD1-CG2 4.28Å; Y366-I450 HydrophobicContact CG-CG1 4.32Å; Y366-G493 VanDerWaalsContact CE1-CA 3.42Å; Y366-N497 WeakPolarHBondContact CD1-ND2 3.41Å; Y366-N497 VanDerWaalsContact CE1-ND2 3.31Å; Y366-N497 WeakPolarHBondContact CE1-ND2 3.31Å
367	F	78.3	Confident	83.4	Confident	7 Å²	7	25.4 Å²	25.4	3%	0.031	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	73	8.7	-173.8	-80.8	-100.7	0	0	0	118.7	W277 W278 Y365 L369 H411 N497 I498	W277-F367 HydrophobicContact CZ2-CB 3.81Å; W278-F367 HydrophobicContact CB-CB 4.37Å; W278-F367 WeakPolarHBondContact CB-O 3.34Å; W278-F367 AromaticContact CD1-CD1 3.85Å; W278-F367 AromaticContact CD2-CD1 4Å; W278-F367 HydrophobicContact CD2-CD1 4Å; W278-F367 AromaticContact CE2-CD1 3.9Å; W278-F367 HydrophobicContact CG-CB 4.24Å; W278-F367 HydrophobicContact CG-CD1 4.04Å; W278-F367 HydrophobicContact CZ2-CE1 4.39Å; W278-F367 AromaticContact NE1-CD1 3.75Å; Y365-F367 PolarHBondContact O-N 2.69Å; F367-L369 PolarHBondContact O-N 3.42Å; F367-L369 VanDerWaalsContact O-N 3.1Å; F367-H411 AromaticContact CD1-CE1 3.78Å; F367-H411 AromaticContact CD1-ND1 3.97Å; F367-H411 AromaticContact CD1-NE2 3.92Å; F367-H411 HydrophobicContact CD2-CB 3.81Å; F367-H411 AromaticContact CD2-CG 3.73Å; F367-H411 AromaticContact CE1-CD2 3.39Å; F367-H411 WeakPolarHBondContact CE1-CD2 3.3Å; F367-H411 AromaticContact CE1-CE1 3.62Å; F367-H411 AromaticContact CE1-CG 3.82Å; F367-H411 AromaticContact CE1-ND1 3.96Å; F367-H411 AromaticContact CE1-NE2 3.27Å; F367-H411 VanDerWaalsContact CE1-NE2 3.27Å; F367-H411 WeakPolarHBondContact CE1-NE2 3.36Å; F367-H411 HydrophobicContact CE2-CB 3.45Å; F367-H411 VanDerWaalsContact CE2-CB 3.45Å; F367-H411 AromaticContact CE2-CD2 3.46Å; F367-H411 VanDerWaalsContact CE2-CD2 3.46Å; F367-H411 WeakPolarHBondContact CE2-CD2 3.06Å; F367-H411 AromaticContact CE2-CG 3.35Å; F367-H411 HydrophobicContact CZ-CB 4.01Å; F367-H411 AromaticContact CZ-CD2 3Å; F367-H411 WeakPolarHBondContact CZ-CD2 3.4Å; F367-H411 AromaticContact CZ-CG 3.41Å; F367-H411 VanDerWaalsContact CZ-CG 3.41Å; F367-H411 AromaticContact CZ-NE2 3.46Å; F367-H411 WeakPolarHBondContact CZ-NE2 3.03Å; F367-N497 HydrophobicContact CD1-CB 4.31Å; F367-N497 HydrophobicContact CD2-CB 3.82Å; F367-N497 HydrophobicContact CE1-CB 4.32Å; F367-N497 HydrophobicContact CE2-CB 3.82Å; F367-N497 HydrophobicContact CG-CB 4.05Å; F367-N497 HydrophobicContact CZ-CB 4.06Å; F367-I498 HydrophobicContact CE1-CD1 3.77Å; F367-I498 HydrophobicContact CE1-CG1 3.97Å; F367-I498 HydrophobicContact CZ-CD1 3.61Å; F367-I498 HydrophobicContact CZ-CG1 3.88Å
368	D	77.6	Confident	84.1	Confident	14 Å²	14	23 Å²	23	8%	0.075	14%	0.139	C	C	.	.			trans	-76.3	105.5	178.9	-179.1	48.7	0	0	0	114	W277 H333 R336 Y365 K372	W277-D368 HydrophobicContact CH2-CB 4.05Å; H333-D368 IonicContact CE1-OD2 2.8Å; H333-D368 IonicContact ND1-OD2 3.44Å; H333-D368 PolarHBondContact ND1-OD2 3.46Å; R336-D368 IonicContact CZ-OD1 3.61Å; R336-D368 VanDerWaalsContact CZ-OD1 3.31Å; R336-D368 IonicContact CZ-OD2 2.57Å; R336-D368 IonicContact NE-OD2 3.32Å; R336-D368 VanDerWaalsContact NH1-CG 3.35Å; R336-D368 IonicContact NH1-OD1 3.96Å; R336-D368 PolarHBondContact NH1-OD1 3.17Å; R336-D368 IonicContact NH1-OD2 3.7Å; R336-D368 PolarHBondContact NH1-OD2 2.91Å; R336-D368 IonicContact NH2-OD1 3.62Å; R336-D368 PolarHBondContact NH2-OD1 3.15Å; R336-D368 IonicContact NH2-OD2 2.64Å; R336-D368 PolarHBondContact NH2-OD2 2.64Å; Y365-D368 WeakPolarHBondContact O-CB 3.47Å; Y365-D368 PolarHBondContact O-N 3.02Å; Y365-D368 VanDerWaalsContact O-N 3.14Å; D368-K372 IonicContact OD1-NZ 3.48Å
369	L	83.6	Confident	85	Confident	9 Å²	9	17.6 Å²	17.6	5%	0.047	11%	0.113	C	C	.	.			trans	-75.7	129.9	172.3	-56.7	-174.3	0	0	0	110.8	S165 L166 I249 W278 F367 F371 K372	S165-L369 VanDerWaalsContact CB-CD2 3.49Å; L166-L369 HydrophobicContact CD1-CD1 4.34Å; I249-L369 HydrophobicContact CD1-CD1 4.16Å; W278-L369 HydrophobicContact CE3-CD1 4.07Å; F367-L369 PolarHBondContact O-N 3.42Å; F367-L369 VanDerWaalsContact O-N 3.1Å; L369-F371 VanDerWaalsContact C-N 3.32Å; L369-F371 PolarHBondContact O-N 3.34Å; L369-K372 HydrophobicContact CB-CD 4.41Å; L369-K372 HydrophobicContact CB-CG 3.7Å; L369-K372 HydrophobicContact CD1-CG 4.34Å
370	P	84.5	Confident	85.7	Confident	9 Å²	9	16.1 Å²	16.1	6%	0.058	11%	0.105	C	C	.	.	S	Bend	trans	-65	-38.1	-179.6	26.6	-34.1	0	0	0	111.4	I167 K289	I167-P370 HydrophobicContact CG2-CG 3.63Å; K289-P370 VanDerWaalsContact CD-O 3.27Å; K289-P370 WeakPolarHBondContact CD-O 3.45Å; K289-P370 VanDerWaalsContact CE-O 3.27Å; K289-P370 WeakPolarHBondContact CE-O 3.43Å; K289-P370 PolarHBondContact NZ-O 3.02Å
371	F	91.1	Very high	86.3	Confident	3 Å²	3	19 Å²	19	1%	0.013	13%	0.125	C	C	.	.	S	Bend	trans	-125.8	127.3	174.6	-72.5	-80	0	0	0	110.1	P198 F201 L202 L293 Q329 M332 L369	P198-F371 HydrophobicContact CB-CD2 4.41Å; P198-F371 HydrophobicContact CB-CE1 4.39Å; P198-F371 HydrophobicContact CB-CE2 3.86Å; P198-F371 HydrophobicContact CB-CZ 3.87Å; P198-F371 HydrophobicContact CG-CE2 4.24Å; F201-F371 HydrophobicContact CB-CB 3.96Å; L202-F371 HydrophobicContact CD1-CE1 3.79Å; L202-F371 HydrophobicContact CD1-CZ 4.2Å; L293-F371 HydrophobicContact CD2-CZ 3.99Å; Q329-F371 HydrophobicContact CB-CD2 4.26Å; Q329-F371 HydrophobicContact CB-CE2 3.82Å; M332-F371 HydrophobicContact CE-CE2 4.4Å; M332-F371 HydrophobicContact CE-CZ 3.91Å; M332-F371 HydrophobicContact SD-CE2 3.96Å; M332-F371 HydrophobicContact SD-CZ 3.76Å; L369-F371 VanDerWaalsContact C-N 3.32Å; L369-F371 PolarHBondContact O-N 3.34Å
372	K	92.2	Very high	87.2	Confident	11 Å²	11	20.1 Å²	20.1	5%	0.048	12%	0.124	C	C	.	.			trans	-123.8	163.3	178.2	-57.7	169.1	179.4	177.6	0	110	W278 E281 D368 L369 V374	W278-K372 WeakPolarHBondContact O-CD 3.45Å; E281-K372 HydrophobicContact CB-CB 4.29Å; E281-K372 HydrophobicContact CB-CD 4.21Å; E281-K372 HydrophobicContact CG-CB 3.97Å; E281-K372 VanDerWaalsContact OE1-CB 3.25Å; E281-K372 WeakPolarHBondContact OE1-CB 3.29Å; E281-K372 PolarHBondContact OE1-N 2.9Å; D368-K372 IonicContact OD1-NZ 3.48Å; L369-K372 HydrophobicContact CB-CD 4.41Å; L369-K372 HydrophobicContact CB-CG 3.7Å; L369-K372 HydrophobicContact CD1-CG 4.34Å; K372-V374 PolarHBondContact O-N 3.24Å
373	P	97.6	Very high	88.1	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.121	C	C	.	.			trans	-52.7	134.8	163.2	-27.4	36.9	0	0	0	111	L166 F201 N212 L215 I249 L253 A279 V280 E281	L166-P373 VanDerWaalsContact CD1-CD 3.43Å; L166-P373 HydrophobicContact CD1-CG 4.03Å; F201-P373 HydrophobicContact CD1-CG 4.44Å; F201-P373 HydrophobicContact CE1-CG 4Å; N212-P373 VanDerWaalsContact OD1-CA 3.23Å; N212-P373 WeakPolarHBondContact OD1-CA 3.25Å; L215-P373 HydrophobicContact CD1-CB 3.71Å; L215-P373 HydrophobicContact CD1-CG 3.97Å; I249-P373 HydrophobicContact CG2-CG 4.18Å; L253-P373 HydrophobicContact CD1-CB 3.64Å; L253-P373 HydrophobicContact CD1-CG 3.69Å; A279-P373 VanDerWaalsContact O-CD 3.29Å; A279-P373 WeakPolarHBondContact O-CD 3.37Å; V280-P373 CarbonylContact C-O 3.56Å; V280-P373 VanDerWaalsContact CA-O 3.25Å; V280-P373 WeakPolarHBondContact CA-O 3.42Å; V280-P373 HydrophobicContact CG1-CB 4.3Å; E281-P373 PolarHBondContact N-O 2.83Å
374	V	97.6	Very high	89	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.122	C	C	.	.	B	Isolated β-bridge	trans	-96	139.7	-178.7	-174.3	0	0	0	0	108.9	Y203 N212 E281 A286 K372 S376	Y203-V374 HydrophobicContact CD1-CG1 4.46Å; Y203-V374 HydrophobicContact CD2-CB 4.38Å; Y203-V374 HydrophobicContact CD2-CG1 3.99Å; Y203-V374 HydrophobicContact CD2-CG2 4.44Å; Y203-V374 HydrophobicContact CE2-CG1 4.2Å; Y203-V374 HydrophobicContact CG-CG1 4.14Å; Y203-V374 HydrophobicContact CG-CG2 4.3Å; N212-V374 PolarHBondContact ND2-O 2.86Å; N212-V374 PolarHBondContact OD1-N 2.68Å; E281-V374 HydrophobicContact CG-CG2 4.23Å; E281-V374 WeakPolarHBondContact O-CA 3.11Å; A286-V374 HydrophobicContact CB-CB 4.43Å; A286-V374 HydrophobicContact CB-CG1 3.98Å; A286-V374 HydrophobicContact CB-CG2 3.53Å; K372-V374 PolarHBondContact O-N 3.24Å; V374-S376 PolarHBondContact O-N 3.15Å
375	V	97.6	Very high	90	Very high	18 Å²	18	24 Å²	24	11%	0.109	13%	0.132	C	C	.	.	S	Bend	trans	-70.3	86	167.2	-176.9	0	0	0	0	108.4	V280 E281 L380 W383	V280-V375 HydrophobicContact CB-CG2 4.33Å; V280-V375 HydrophobicContact CG2-CG2 4.2Å; E281-V375 PolarHBondContact O-N 3.01Å; V375-L380 CarbonylContact C-O 3.57Å; V375-L380 HydrophobicContact CG2-CD2 3.97Å; V375-W383 HydrophobicContact CG1-CG 4.37Å; V375-W383 HydrophobicContact CG2-CD2 3.69Å; V375-W383 HydrophobicContact CG2-CE3 3.82Å; V375-W383 HydrophobicContact CG2-CG 4.12Å; V375-W383 HydrophobicContact CG2-CH2 4.44Å; V375-W383 HydrophobicContact CG2-CZ2 4.33Å; V375-W383 HydrophobicContact CG2-CZ3 4.21Å
376	S	95.9	Very high	91.5	Very high	12 Å²	12	26.7 Å²	26.7	8%	0.084	15%	0.146	C	C	.	.			trans	-145.5	143.6	176.6	66.2	0	0	0	0	111.7	N212 V374 L380	N212-S376 PolarHBondContact ND2-OG 2.82Å; V374-S376 PolarHBondContact O-N 3.15Å; S376-L380 CarbonylContact C-O 3.55Å; S376-L380 VanDerWaalsContact C-O 3.25Å; S376-L380 PolarHBondContact N-O 3.39Å; S376-L380 CarbonylContact O-C 3.41Å; S376-L380 VanDerWaalsContact O-C 3.29Å; S376-L380 PolarHBondContact O-N 2.86Å; S376-L380 VanDerWaalsContact O-O 3.12Å
377	A	95.5	Very high	92.4	Very high	67 Å²	67	27.5 Å²	27.5	55%	0.554	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	153.4	169.9	0	0	0	0	0	110.8	P381	A377-P381 HydrophobicContact CB-CB 4.39Å
378	P	96.3	Very high	92.9	Very high	56 Å²	56	27.4 Å²	27.4	36%	0.364	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	cis	-86.3	-14.3	2.5	34.4	-35.3	0	0	0	114	Y69 I259	Y69-P378 HydrophobicContact CE2-CG 4.39Å; I259-P378 HydrophobicContact CD1-CB 4.41Å; I259-P378 HydrophobicContact CD1-CG 4.19Å; I259-P378 HydrophobicContact CG2-CB 4.21Å
379	F	97.6	Very high	93.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-47.2	-171	-169.2	-82.7	0	0	0	112.8	L215 M216 V219 L253 H254 S257 I259	L215-F379 HydrophobicContact CB-CD1 4.26Å; L215-F379 HydrophobicContact CB-CD2 3.96Å; L215-F379 HydrophobicContact CB-CE1 4.12Å; L215-F379 HydrophobicContact CB-CE2 3.83Å; L215-F379 HydrophobicContact CB-CG 4.2Å; L215-F379 HydrophobicContact CB-CZ 3.91Å; L215-F379 HydrophobicContact CD1-CD1 3.73Å; L215-F379 HydrophobicContact CD1-CE1 3.61Å; L215-F379 HydrophobicContact CD1-CG 4.38Å; L215-F379 HydrophobicContact CD1-CZ 4.18Å; L215-F379 HydrophobicContact CD2-CE1 4.01Å; L215-F379 HydrophobicContact CD2-CZ 3.84Å; L215-F379 HydrophobicContact CG-CD1 4.48Å; L215-F379 HydrophobicContact CG-CE1 4.12Å; L215-F379 HydrophobicContact CG-CZ 4.19Å; M216-F379 HydrophobicContact SD-CB 4.31Å; M216-F379 HydrophobicContact SD-CD2 3.98Å; V219-F379 HydrophobicContact CG2-CD2 3.91Å; V219-F379 HydrophobicContact CG2-CE2 3.65Å; L253-F379 HydrophobicContact CB-CE1 3.84Å; L253-F379 HydrophobicContact CB-CZ 4.46Å; H254-F379 AromaticContact CE1-CE2 3.48Å; H254-F379 VanDerWaalsContact CE1-CE2 3.48Å; H254-F379 WeakPolarHBondContact CE1-CE2 3.18Å; H254-F379 AromaticContact CE1-CZ 3.64Å; H254-F379 AromaticContact ND1-CE2 3.51Å; H254-F379 AromaticContact ND1-CZ 3.42Å; H254-F379 WeakPolarHBondContact ND1-CZ 3.41Å; S257-F379 WeakPolarHBondContact CB-O 3.38Å; S257-F379 PolarHBondContact OG-O 3.3Å; I259-F379 HydrophobicContact CD1-CB 4.13Å; I259-F379 HydrophobicContact CD1-CD2 3.87Å; I259-F379 HydrophobicContact CD1-CG 4.41Å; I259-F379 HydrophobicContact CG1-CD2 4.13Å
380	L	96.5	Very high	93.4	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.01	19%	0.189	C	C	.	.			trans	-135	78.8	-176.4	-173.9	65.2	0	0	0	110.1	L253 I256 V280 V375 S376 E382 P384	L253-L380 HydrophobicContact CD2-CD1 4.35Å; L253-L380 HydrophobicContact CD2-CD2 4.16Å; I256-L380 HydrophobicContact CD1-CD1 3.89Å; I256-L380 HydrophobicContact CG1-CD1 4.33Å; V280-L380 HydrophobicContact CB-CD2 4.3Å; V280-L380 HydrophobicContact CG1-CD2 3.68Å; V375-L380 CarbonylContact C-O 3.57Å; V375-L380 HydrophobicContact CG2-CD2 3.97Å; S376-L380 CarbonylContact C-O 3.55Å; S376-L380 VanDerWaalsContact C-O 3.25Å; S376-L380 PolarHBondContact N-O 3.39Å; S376-L380 CarbonylContact O-C 3.41Å; S376-L380 VanDerWaalsContact O-C 3.29Å; S376-L380 PolarHBondContact O-N 2.86Å; S376-L380 VanDerWaalsContact O-O 3.12Å; L380-E382 VanDerWaalsContact C-N 3.3Å; L380-E382 WeakPolarHBondContact CD1-O 3.31Å; L380-E382 WeakPolarHBondContact CG-O 3.28Å; L380-E382 PolarHBondContact O-N 2.94Å; L380-P384 HydrophobicContact CD2-CG 4.49Å
381	P	95.3	Very high	93.1	Very high	67 Å²	67	34 Å²	34	44%	0.435	22%	0.218	S	C	.	.	S	Bend	trans	-69.8	-22.7	-173.2	27.6	-35.3	0	0	0	114.7	P258 A377	P258-P381 HydrophobicContact CG-CG 4.25Å; A377-P381 HydrophobicContact CB-CB 4.39Å
382	E	95.1	Very high	92.6	Very high	72 Å²	72	41.5 Å²	41.5	34%	0.336	25%	0.251	S	S	.	.	S	Bend	trans	-136	161.2	-177.5	-67.8	176.9	-147.2	0	0	109	L380 E386 V387	L380-E382 VanDerWaalsContact C-N 3.3Å; L380-E382 WeakPolarHBondContact CD1-O 3.31Å; L380-E382 WeakPolarHBondContact CG-O 3.28Å; L380-E382 PolarHBondContact O-N 2.94Å; E382-E386 HydrophobicContact CB-CB 4.36Å; E382-V387 HydrophobicContact CB-CG2 3.79Å
383	W	96	Very high	92.1	Very high	47 Å²	47	42.4 Å²	42.4	18%	0.178	26%	0.256	C	S	.	.			trans	-63.9	148.5	177.4	-72.2	87	0	0	0	111.1	V280 V375 Y385 E386 V387	V280-W383 HydrophobicContact CG2-CE3 3.67Å; V280-W383 HydrophobicContact CG2-CZ3 3.65Å; V375-W383 HydrophobicContact CG1-CG 4.37Å; V375-W383 HydrophobicContact CG2-CD2 3.69Å; V375-W383 HydrophobicContact CG2-CE3 3.82Å; V375-W383 HydrophobicContact CG2-CG 4.12Å; V375-W383 HydrophobicContact CG2-CH2 4.44Å; V375-W383 HydrophobicContact CG2-CZ2 4.33Å; V375-W383 HydrophobicContact CG2-CZ3 4.21Å; W383-Y385 VanDerWaalsContact C-N 3.27Å; W383-Y385 HydrophobicContact CB-CD1 3.7Å; W383-Y385 HydrophobicContact CB-CE1 3.3Å; W383-Y385 HydrophobicContact CB-CE2 4.35Å; W383-Y385 HydrophobicContact CB-CG 4.36Å; W383-Y385 AromaticContact CD2-CE1 3.74Å; W383-Y385 HydrophobicContact CD2-CE1 3.74Å; W383-Y385 AromaticContact CE3-CE1 3.85Å; W383-Y385 HydrophobicContact CE3-CE1 3.85Å; W383-Y385 HydrophobicContact CG-CD1 4.37Å; W383-Y385 AromaticContact CG-CE1 3.52Å; W383-Y385 HydrophobicContact CG-CE1 3.52Å; W383-Y385 AromaticContact CG-CZ 3.77Å; W383-Y385 PolarHBondContact O-N 3.19Å; W383-E386 HydrophobicContact CB-CB 4.39Å; W383-E386 HydrophobicContact CB-CG 3.98Å; W383-E386 WeakPolarHBondContact CB-OE2 3.4Å; W383-E386 PolarHBondContact N-OE2 3.33Å; W383-E386 WeakPolarHBondContact O-CA 3.15Å; W383-E386 WeakPolarHBondContact O-CB 3.4Å; W383-E386 PolarHBondContact O-N 3.18Å; W383-V387 WeakPolarHBondContact O-CG2 3.46Å; W383-V387 PolarHBondContact O-N 3.16Å
384	P	95.1	Very high	91.5	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.019	29%	0.286	C	S	.	.	H	α-helix	trans	-52.7	-42	178.5	-30	36.6	0	0	0	114.1	L253 I256 P274 V280 L380 E386 V387 L388	L253-P384 HydrophobicContact CD2-CG 4.03Å; I256-P384 HydrophobicContact CD1-CB 3.76Å; I256-P384 HydrophobicContact CD1-CG 4Å; P274-P384 HydrophobicContact CB-CB 4.05Å; P274-P384 HydrophobicContact CB-CG 4.35Å; P274-P384 WeakPolarHBondContact O-CB 3.42Å; P274-P384 WeakPolarHBondContact O-CG 3.39Å; V280-P384 HydrophobicContact CG1-CG 4Å; V280-P384 HydrophobicContact CG2-CG 3.99Å; L380-P384 HydrophobicContact CD2-CG 4.49Å; P384-E386 VanDerWaalsContact C-N 3.32Å; P384-E386 PolarHBondContact O-N 3.12Å; P384-V387 PolarHBondContact O-N 3.35Å; P384-L388 WeakPolarHBondContact O-CB 3.12Å; P384-L388 WeakPolarHBondContact O-CD1 3.21Å; P384-L388 WeakPolarHBondContact O-CG 3.4Å; P384-L388 PolarHBondContact O-N 3.45Å
385	Y	91.2	Very high	90.9	Very high	82 Å²	82	49 Å²	49	32%	0.322	29%	0.291	S	S	.	.	H	α-helix	trans	-68.3	-29.4	178.2	65.6	-95.7	0	0	0	113	W383 G389	W383-Y385 VanDerWaalsContact C-N 3.27Å; W383-Y385 HydrophobicContact CB-CD1 3.7Å; W383-Y385 HydrophobicContact CB-CE1 3.3Å; W383-Y385 HydrophobicContact CB-CE2 4.35Å; W383-Y385 HydrophobicContact CB-CG 4.36Å; W383-Y385 AromaticContact CD2-CE1 3.74Å; W383-Y385 HydrophobicContact CD2-CE1 3.74Å; W383-Y385 AromaticContact CE3-CE1 3.85Å; W383-Y385 HydrophobicContact CE3-CE1 3.85Å; W383-Y385 HydrophobicContact CG-CD1 4.37Å; W383-Y385 AromaticContact CG-CE1 3.52Å; W383-Y385 HydrophobicContact CG-CE1 3.52Å; W383-Y385 AromaticContact CG-CZ 3.77Å; W383-Y385 PolarHBondContact O-N 3.19Å; Y385-G389 WeakPolarHBondContact O-CA 3.25Å; Y385-G389 PolarHBondContact O-N 3.47Å
386	E	93.9	Very high	90.5	Very high	79 Å²	79	53.4 Å²	53.4	37%	0.369	31%	0.306	S	S	.	.	H	α-helix	trans	-72.5	-46.3	175	-64	174.9	144.9	0	0	110.4	E382 W383 P384 L388 G389 S390	E382-E386 HydrophobicContact CB-CB 4.36Å; W383-E386 HydrophobicContact CB-CB 4.39Å; W383-E386 HydrophobicContact CB-CG 3.98Å; W383-E386 WeakPolarHBondContact CB-OE2 3.4Å; W383-E386 PolarHBondContact N-OE2 3.33Å; W383-E386 WeakPolarHBondContact O-CA 3.15Å; W383-E386 WeakPolarHBondContact O-CB 3.4Å; W383-E386 PolarHBondContact O-N 3.18Å; P384-E386 VanDerWaalsContact C-N 3.32Å; P384-E386 PolarHBondContact O-N 3.12Å; E386-L388 VanDerWaalsContact C-N 3.3Å; E386-L388 PolarHBondContact O-N 2.85Å; E386-G389 PolarHBondContact O-N 2.95Å; E386-S390 WeakPolarHBondContact O-CB 3.4Å; E386-S390 PolarHBondContact O-N 3.17Å; E386-S390 PolarHBondContact O-OG 3.05Å
387	V	91.9	Very high	90.4	Very high	20 Å²	20	53.1 Å²	53.1	12%	0.121	30%	0.303	C	S	.	.	H	α-helix	trans	-57.7	-47.1	177.7	177.7	0	0	0	0	110.5	I256 E382 W383 P384 S390 L393	I256-V387 HydrophobicContact CB-CG1 4.09Å; E382-V387 HydrophobicContact CB-CG2 3.79Å; W383-V387 WeakPolarHBondContact O-CG2 3.46Å; W383-V387 PolarHBondContact O-N 3.16Å; P384-V387 PolarHBondContact O-N 3.35Å; V387-S390 PolarHBondContact O-OG 3.36Å; V387-L393 HydrophobicContact CG1-CB 4.25Å; V387-L393 HydrophobicContact CG1-CD1 4.36Å
388	L	88.5	Confident	90.3	Very high	4 Å²	4	52.8 Å²	52.8	2%	0.021	29%	0.287	C	S	.	.	H	α-helix	trans	-67.6	-51.5	177.8	-63	167.9	0	0	0	110.5	I256 L275 P384 E386 S390 G391 L393 F505 F508	I256-L388 HydrophobicContact CG2-CD2 4.07Å; L275-L388 HydrophobicContact CD1-CD1 4.32Å; L275-L388 HydrophobicContact CD2-CD1 3.66Å; L275-L388 HydrophobicContact CG-CD1 4.05Å; P384-L388 WeakPolarHBondContact O-CB 3.12Å; P384-L388 WeakPolarHBondContact O-CD1 3.21Å; P384-L388 WeakPolarHBondContact O-CG 3.4Å; P384-L388 PolarHBondContact O-N 3.45Å; E386-L388 VanDerWaalsContact C-N 3.3Å; E386-L388 PolarHBondContact O-N 2.85Å; L388-S390 VanDerWaalsContact C-N 3.28Å; L388-S390 PolarHBondContact O-N 2.98Å; L388-G391 PolarHBondContact O-N 3.37Å; L388-L393 HydrophobicContact CD2-CD2 3.68Å; L388-F505 HydrophobicContact CD1-CD2 3.99Å; L388-F505 HydrophobicContact CD1-CE2 3.93Å; L388-F505 HydrophobicContact CD2-CE2 4.06Å; L388-F508 VanDerWaalsContact C-CE2 3.48Å; L388-F508 HydrophobicContact CB-CD1 3.99Å; L388-F508 HydrophobicContact CB-CD2 4.18Å; L388-F508 HydrophobicContact CB-CE1 3.62Å; L388-F508 HydrophobicContact CB-CE2 3.81Å; L388-F508 HydrophobicContact CB-CG 4.29Å; L388-F508 HydrophobicContact CB-CZ 3.56Å; L388-F508 HydrophobicContact CD1-CD1 4.43Å; L388-F508 HydrophobicContact CD2-CD1 3.56Å; L388-F508 HydrophobicContact CD2-CE1 3.26Å; L388-F508 HydrophobicContact CD2-CZ 4.07Å; L388-F508 HydrophobicContact CG-CD1 4.17Å; L388-F508 HydrophobicContact CG-CE1 3.96Å; L388-F508 HydrophobicContact CG-CZ 4.39Å; L388-F508 WeakPolarHBondContact O-CE2 3.14Å; L388-F508 WeakPolarHBondContact O-CZ 3.42Å
389	G	85.8	Confident	90.4	Very high	55 Å²	55	50.1 Å²	50.1	57%	0.567	27%	0.27	S	S	*	.	H	α-helix	trans	-64.5	-25.4	-177.4	0	0	0	0	0	115.1	Y385 E386 G391	Y385-G389 WeakPolarHBondContact O-CA 3.25Å; Y385-G389 PolarHBondContact O-N 3.47Å; E386-G389 PolarHBondContact O-N 2.95Å; G389-G391 PolarHBondContact O-N 3.45Å
390	S	86	Confident	90.4	Very high	51 Å²	51	50.1 Å²	50.1	36%	0.357	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-18.6	-179.1	72.2	0	0	0	0	114.2	E386 V387 L388 K392	E386-S390 WeakPolarHBondContact O-CB 3.4Å; E386-S390 PolarHBondContact O-N 3.17Å; E386-S390 PolarHBondContact O-OG 3.05Å; V387-S390 PolarHBondContact O-OG 3.36Å; L388-S390 VanDerWaalsContact C-N 3.28Å; L388-S390 PolarHBondContact O-N 2.98Å; S390-K392 PolarHBondContact O-N 3.46Å; S390-K392 VanDerWaalsContact O-N 3.14Å; S390-K392 WeakPolarHBondContact OG-CB 3.5Å; S390-K392 WeakPolarHBondContact OG-CG 3.39Å; S390-K392 PolarHBondContact OG-N 3.3Å; S390-K392 VanDerWaalsContact OG-N 3.14Å
391	G	79.3	Confident	90.4	Very high	66 Å²	66	50 Å²	50	68%	0.68	27%	0.27	S	S	*	.	S	Bend	trans	66.6	3.9	-171.2	0	0	0	0	0	114.4	L388 G389 L393	L388-G391 PolarHBondContact O-N 3.37Å; G389-G391 PolarHBondContact O-N 3.45Å; G391-L393 VanDerWaalsContact C-N 3.35Å
392	K	79.4	Confident	90.5	Very high	160 Å²	160	46.9 Å²	46.9	70%	0.696	25%	0.249	S	C	*	.			trans	-76.4	-22.7	179.2	-62.9	174.6	-174.6	168.5	0	112.7	S390 N394	S390-K392 PolarHBondContact O-N 3.46Å; S390-K392 VanDerWaalsContact O-N 3.14Å; S390-K392 WeakPolarHBondContact OG-CB 3.5Å; S390-K392 WeakPolarHBondContact OG-CG 3.39Å; S390-K392 PolarHBondContact OG-N 3.3Å; S390-K392 VanDerWaalsContact OG-N 3.14Å; K392-N394 PolarHBondContact O-N 2.6Å
393	L	83	Confident	90.6	Very high	30 Å²	30	43.4 Å²	43.4	16%	0.157	23%	0.233	C	C	.	.	S	Bend	trans	-68	117.2	-179.8	-177.1	67.9	0	0	0	110.3	I256 V387 L388 G391 I395	I256-L393 HydrophobicContact CG2-CD2 3.81Å; V387-L393 HydrophobicContact CG1-CB 4.25Å; V387-L393 HydrophobicContact CG1-CD1 4.36Å; L388-L393 HydrophobicContact CD2-CD2 3.68Å; G391-L393 VanDerWaalsContact C-N 3.35Å; L393-I395 HydrophobicContact CD2-CG1 4.28Å; L393-I395 HydrophobicContact CG-CG1 4.39Å; L393-I395 PolarHBondContact O-N 3.03Å
394	N	85	Confident	90.7	Very high	119 Å²	119	41.2 Å²	41.2	64%	0.636	23%	0.225	S	C	*	.			trans	-74.4	89.6	171.5	-175.6	8.8	0	0	0	110.2	K392 R396	K392-N394 PolarHBondContact O-N 2.6Å; N394-R396 PolarHBondContact O-N 2.84Å
395	I	84.5	Confident	90.8	Very high	20 Å²	20	45.7 Å²	45.7	10%	0.103	24%	0.244	C	C	.	.			trans	-65.2	97.4	176.8	-60	177.7	0	0	0	109.4	L393 F508 Y509 A515	L393-I395 HydrophobicContact CD2-CG1 4.28Å; L393-I395 HydrophobicContact CG-CG1 4.39Å; L393-I395 PolarHBondContact O-N 3.03Å; I395-F508 HydrophobicContact CD1-CE1 3.85Å; I395-F508 HydrophobicContact CD1-CZ 4.47Å; I395-Y509 HydrophobicContact CG2-CD1 3.81Å; I395-Y509 HydrophobicContact CG2-CD2 4.39Å; I395-Y509 HydrophobicContact CG2-CE1 3.42Å; I395-Y509 VanDerWaalsContact CG2-CE1 3.42Å; I395-Y509 HydrophobicContact CG2-CE2 4.03Å; I395-Y509 HydrophobicContact CG2-CG 4.28Å; I395-A515 HydrophobicContact CG2-CB 4.16Å
396	R	87.9	Confident	91.1	Very high	109 Å²	109	43 Å²	43	41%	0.411	24%	0.235	S	C	.	.			trans	-122	-22.7	180	68.7	176.7	-179.8	-160.1	-12.2	114.2	N261 N394	N261-R396 PolarHBondContact O-NH2 2.93Å; N261-R396 PolarHBondContact OD1-NH2 3.36Å; N394-R396 PolarHBondContact O-N 2.84Å
397	H	94.1	Very high	91.2	Very high	6 Å²	6	39.3 Å²	39.3	3%	0.028	22%	0.218	C	C	.	.	S	Bend	trans	-75.7	147.7	-179	-49.9	70.2	0	0	0	109.5	L255 N261 F264 Y509	L255-H397 HydrophobicContact CD2-CB 3.61Å; N261-H397 PolarHBondContact O-CE1 2.88Å; N261-H397 PolarHBondContact O-NE2 3.29Å; F264-H397 AromaticContact CD2-CD2 3.67Å; F264-H397 AromaticContact CE2-CD2 3.37Å; F264-H397 WeakPolarHBondContact CE2-CD2 3.2Å; F264-H397 AromaticContact CE2-NE2 3.74Å; F264-H397 AromaticContact CZ-CD2 4Å; F264-H397 AromaticContact CZ-NE2 3.9Å; F264-H397 PolarHBondContact O-CD2 3.42Å; F264-H397 PolarHBondContact O-NE2 3.09Å; H397-Y509 VanDerWaalsContact CB-OH 3.32Å; H397-Y509 WeakPolarHBondContact CB-OH 3.18Å; H397-Y509 PolarHBondContact N-OH 3.06Å; H397-Y509 WeakPolarHBondContact O-CE1 3.41Å; H397-Y509 PolarHBondContact O-OH 3.22Å
398	R	95	Very high	91.2	Very high	60 Å²	60	38.3 Å²	38.3	23%	0.226	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	139.5	168.4	-57.9	176.5	-75.5	-106.5	6.9	107.5	Q266 A267 Q516 F580	Q266-R398 WeakPolarHBondContact CA-O 3.3Å; Q266-R398 HydrophobicContact CG-CB 4.35Å; A267-R398 PolarHBondContact N-O 3.24Å; R398-Q516 HydrophobicContact CB-CB 4.14Å; R398-Q516 HydrophobicContact CG-CB 3.91Å; R398-Q516 HydrophobicContact CG-CG 4.23Å; R398-F580 HydrophobicContact CB-CE2 4.21Å; R398-F580 HydrophobicContact CB-CZ 4.17Å; R398-F580 WeakPolarHBondContact O-CZ 3.36Å
399	I	97.1	Very high	91.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	140.3	-177.8	67.3	172.2	0	0	0	112.2	L255 A267 L401 F505 Y509 Q516 V517 F518 F580	L255-I399 HydrophobicContact CD1-CG2 3.91Å; L255-I399 HydrophobicContact CD2-CG2 4.18Å; A267-I399 HydrophobicContact CB-CG2 4.35Å; A267-I399 VanDerWaalsContact O-CA 3.27Å; A267-I399 WeakPolarHBondContact O-CA 3.32Å; I399-L401 HydrophobicContact CB-CD2 4.25Å; I399-L401 HydrophobicContact CD1-CD2 3.49Å; I399-L401 VanDerWaalsContact CD1-CD2 3.49Å; I399-L401 HydrophobicContact CG1-CD2 3.63Å; I399-F505 HydrophobicContact CD1-CD1 4.29Å; I399-F505 HydrophobicContact CD1-CE1 3.87Å; I399-Y509 HydrophobicContact CB-CE1 4.46Å; I399-Y509 HydrophobicContact CD1-CD1 3.39Å; I399-Y509 HydrophobicContact CD1-CD2 3.82Å; I399-Y509 HydrophobicContact CD1-CE1 3.84Å; I399-Y509 HydrophobicContact CD1-CE2 4.25Å; I399-Y509 HydrophobicContact CD1-CG 3.36Å; I399-Y509 HydrophobicContact CG1-CD1 3.71Å; I399-Y509 HydrophobicContact CG1-CE1 3.83Å; I399-Y509 HydrophobicContact CG1-CG 4.21Å; I399-Y509 HydrophobicContact CG2-CE1 3.87Å; I399-Y509 HydrophobicContact CG2-CE2 4.29Å; I399-Q516 PolarHBondContact N-O 3.25Å; I399-V517 HydrophobicContact CD1-CG1 4.37Å; I399-V517 HydrophobicContact CD1-CG2 4.28Å; I399-V517 HydrophobicContact CG1-CB 4.39Å; I399-V517 HydrophobicContact CG1-CG1 4.19Å; I399-V517 HydrophobicContact CG1-CG2 3.98Å; I399-V517 WeakPolarHBondContact O-CA 3.38Å; I399-F518 PolarHBondContact O-N 2.98Å; I399-F580 VanDerWaalsContact C-CZ 3.47Å
400	M	97.3	Very high	91.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	138.4	162	-174.9	169.1	73.4	0	0	107.2	A267 I268 L269 F518 Y520 W577 F580 W602	A267-M400 PolarHBondContact O-N 2.64Å; I268-M400 CarbonylContact C-O 3.46Å; I268-M400 VanDerWaalsContact CA-O 3.22Å; I268-M400 WeakPolarHBondContact CA-O 3.44Å; I268-M400 HydrophobicContact CB-CE 4.3Å; I268-M400 HydrophobicContact CD1-CE 3.75Å; I268-M400 HydrophobicContact CG1-CB 4.27Å; I268-M400 HydrophobicContact CG1-CE 3.94Å; I268-M400 HydrophobicContact CG2-CB 4.23Å; I268-M400 HydrophobicContact CG2-CE 3.44Å; I268-M400 VanDerWaalsContact CG2-CE 3.44Å; I268-M400 HydrophobicContact CG2-CG 4.44Å; L269-M400 PolarHBondContact N-O 2.93Å; M400-F518 CarbonylContact C-O 3.54Å; M400-F518 WeakPolarHBondContact CA-O 3.42Å; M400-F518 HydrophobicContact CB-CB 4.42Å; M400-F518 HydrophobicContact CG-CB 4.14Å; M400-Y520 HydrophobicContact CG-CD1 4.28Å; M400-W577 HydrophobicContact CE-CD2 3.41Å; M400-W577 VanDerWaalsContact CE-CD2 3.41Å; M400-W577 HydrophobicContact CE-CE3 3.82Å; M400-W577 HydrophobicContact CE-CG 3.77Å; M400-W577 HydrophobicContact CE-CH2 4.24Å; M400-W577 HydrophobicContact CE-CZ2 3.83Å; M400-W577 HydrophobicContact CE-CZ3 4.24Å; M400-F580 HydrophobicContact CB-CD1 4.3Å; M400-F580 HydrophobicContact CB-CD2 4.25Å; M400-F580 HydrophobicContact CB-CE1 4.1Å; M400-F580 HydrophobicContact CB-CE2 4.06Å; M400-F580 HydrophobicContact CB-CG 4.35Å; M400-F580 HydrophobicContact CB-CZ 3.99Å; M400-W602 HydrophobicContact CG-CH2 4Å; M400-W602 HydrophobicContact CG-CZ2 4.17Å; M400-W602 HydrophobicContact SD-CH2 3.33Å; M400-W602 WeakPolarHBondContact SD-CH2 3.21Å; M400-W602 HydrophobicContact SD-CZ2 4.03Å; M400-W602 HydrophobicContact SD-CZ3 3.78Å
401	L	97.5	Very high	91.9	Very high	1 Å²	1	37 Å²	37	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	156.6	177.5	44.1	161.4	0	0	0	110.3	L269 I399 V502 F505 A506 V517 F518 L519 Y520	L269-L401 HydrophobicContact CB-CB 4.02Å; L269-L401 CarbonylContact O-C 3.54Å; L269-L401 WeakPolarHBondContact O-CA 3.25Å; I399-L401 HydrophobicContact CB-CD2 4.25Å; I399-L401 HydrophobicContact CD1-CD2 3.49Å; I399-L401 VanDerWaalsContact CD1-CD2 3.49Å; I399-L401 HydrophobicContact CG1-CD2 3.63Å; L401-V502 HydrophobicContact CB-CG1 4.28Å; L401-V502 HydrophobicContact CD1-CG1 3.69Å; L401-V502 WeakPolarHBondContact CD1-O 3.35Å; L401-V502 HydrophobicContact CG-CG1 4.44Å; L401-F505 HydrophobicContact CD1-CD1 4.49Å; L401-A506 HydrophobicContact CD1-CB 3.63Å; L401-V517 HydrophobicContact CD2-CG1 3.71Å; L401-F518 PolarHBondContact N-O 2.91Å; L401-L519 HydrophobicContact CD1-CD1 4.22Å; L401-L519 HydrophobicContact CG-CD1 4.01Å; L401-L519 CarbonylContact O-C 3.46Å; L401-L519 WeakPolarHBondContact O-CA 3.43Å; L401-Y520 WeakPolarHBondContact O-CD1 3.13Å; L401-Y520 PolarHBondContact O-N 3.36Å
402	G	97.1	Very high	92.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169	179.5	175.1	0	0	0	0	0	113.6	L269 S271 Y520	L269-G402 PolarHBondContact O-N 3.25Å; S271-G402 WeakPolarHBondContact CA-O 3.48Å; S271-G402 PolarHBondContact N-O 3.35Å; G402-Y520 VanDerWaalsContact CA-CE1 3.5Å; G402-Y520 WeakPolarHBondContact CA-O 3.41Å
403	V	97.6	Very high	93	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	163.6	-176	-57.2	0	0	0	0	109.7	E407 I498 K499 V502 Y520 S521 F522 L674	V403-E407 WeakPolarHBondContact CA-OE1 3.45Å; V403-E407 HydrophobicContact CB-CG 4.26Å; V403-E407 WeakPolarHBondContact CB-OE1 3.19Å; V403-I498 HydrophobicContact CG1-CG2 4.31Å; V403-K499 HydrophobicContact CB-CG 4.09Å; V403-K499 HydrophobicContact CG1-CB 4.26Å; V403-K499 HydrophobicContact CG1-CG 4.02Å; V403-K499 HydrophobicContact CG2-CD 4.31Å; V403-K499 HydrophobicContact CG2-CG 4.18Å; V403-V502 HydrophobicContact CG1-CB 4.08Å; V403-V502 HydrophobicContact CG1-CG1 3.95Å; V403-V502 HydrophobicContact CG1-CG2 4.2Å; V403-Y520 PolarHBondContact N-O 3.19Å; V403-Y520 VanDerWaalsContact N-O 3.14Å; V403-S521 CarbonylContact O-C 3.58Å; V403-S521 VanDerWaalsContact O-CA 3.31Å; V403-S521 WeakPolarHBondContact O-CA 3.37Å; V403-F522 PolarHBondContact O-N 2.95Å; V403-L674 HydrophobicContact CG2-CD1 4.47Å; V403-L674 HydrophobicContact CG2-CD2 3.75Å
404	N	97.5	Very high	93.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	163.8	168.4	-65.9	12.5	0	0	0	109.8	D406 E407 K499 F522 I537 M538 E542	N404-D406 PolarHBondContact O-N 2.99Å; N404-E407 PolarHBondContact N-OE1 2.06Å; N404-E407 WeakPolarHBondContact O-CG 3.22Å; N404-K499 WeakPolarHBondContact O-CE 3.49Å; N404-F522 CarbonylContact C-O 3.56Å; N404-F522 WeakPolarHBondContact CA-O 3.42Å; N404-I537 HydrophobicContact CB-CG2 4.41Å; N404-M538 PolarHBondContact ND2-O 3.02Å; N404-E542 PolarHBondContact ND2-OE2 2.82Å; N404-E542 PolarHBondContact OD1-OE2 2.87Å
405	K	97.2	Very high	92.9	Very high	97 Å²	97	24.7 Å²	24.7	42%	0.422	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-44.6	-179.1	-169.4	168.8	179.6	167	0	112.9	K499 F522 E523 I537	K405-K499 WeakPolarHBondContact O-CE 3.36Å; K405-K499 PolarHBondContact O-NZ 3.32Å; K405-F522 PolarHBondContact N-O 3.19Å; K405-E523 HydrophobicContact CB-CB 4.49Å; K405-E523 HydrophobicContact CB-CG 4.17Å; K405-E523 HydrophobicContact CD-CB 4.26Å; K405-E523 HydrophobicContact CD-CG 4.32Å; K405-I537 HydrophobicContact CB-CB 4.13Å; K405-I537 HydrophobicContact CB-CD1 4.17Å; K405-I537 HydrophobicContact CB-CG1 4.48Å; K405-I537 HydrophobicContact CD-CD1 3.98Å
406	D	97.4	Very high	93	Very high	27 Å²	27	23.9 Å²	23.9	14%	0.144	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117	53.6	-171.1	-58.5	-74.4	0	0	0	111.6	N404 G408 M409 N490 G536 I537	N404-D406 PolarHBondContact O-N 2.99Å; D406-G408 PolarHBondContact O-N 3.32Å; D406-G408 VanDerWaalsContact O-N 3.16Å; D406-M409 HydrophobicContact CB-CB 4.23Å; D406-M409 WeakPolarHBondContact O-CB 3.41Å; D406-M409 PolarHBondContact O-N 2.79Å; D406-M409 VanDerWaalsContact O-N 3.13Å; D406-N490 PolarHBondContact OD1-ND2 3.49Å; D406-G536 VanDerWaalsContact OD2-CA 3.29Å; D406-G536 WeakPolarHBondContact OD2-CA 3.48Å; D406-I537 WeakPolarHBondContact CA-O 3.27Å; D406-I537 WeakPolarHBondContact CB-O 3.42Å; D406-I537 PolarHBondContact N-O 3.12Å; D406-I537 PolarHBondContact OD2-N 2.77Å
407	E	95.6	Very high	92.9	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-34.6	179.8	-73.3	-65.7	-171.1	0	0	114.2	S271 V403 N404 M409 I498 K499 Q539	S271-E407 WeakPolarHBondContact CB-OE1 3.36Å; S271-E407 PolarHBondContact OG-OE1 3.32Å; S271-E407 PolarHBondContact OG-OE2 2.96Å; V403-E407 WeakPolarHBondContact CA-OE1 3.45Å; V403-E407 HydrophobicContact CB-CG 4.26Å; V403-E407 WeakPolarHBondContact CB-OE1 3.19Å; N404-E407 PolarHBondContact N-OE1 2.06Å; N404-E407 WeakPolarHBondContact O-CG 3.22Å; E407-M409 VanDerWaalsContact C-N 3.32Å; E407-M409 PolarHBondContact O-N 3.14Å; E407-I498 HydrophobicContact CB-CB 4.12Å; E407-I498 HydrophobicContact CB-CD1 4.02Å; E407-I498 HydrophobicContact CB-CG1 4.47Å; E407-I498 HydrophobicContact CB-CG2 4.44Å; E407-I498 HydrophobicContact CG-CB 4.07Å; E407-I498 HydrophobicContact CG-CD1 4.33Å; E407-I498 HydrophobicContact CG-CG2 3.87Å; E407-I498 WeakPolarHBondContact OE2-CD1 3.48Å; E407-K499 HydrophobicContact CG-CG 3.97Å; E407-Q539 WeakPolarHBondContact OE2-CB 3.46Å; E407-Q539 WeakPolarHBondContact OE2-CG 3.22Å
408	G	93.2	Very high	92.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-18.3	-175.6	0	0	0	0	0	114	Y366 D406 H411 L412 N490	Y366-G408 WeakPolarHBondContact OH-CA 3.49Å; Y366-G408 PolarHBondContact OH-O 2.88Å; D406-G408 PolarHBondContact O-N 3.32Å; D406-G408 VanDerWaalsContact O-N 3.16Å; G408-H411 PolarHBondContact O-N 3.33Å; G408-L412 WeakPolarHBondContact O-CB 3.28Å; G408-L412 PolarHBondContact O-N 3.16Å; G408-N490 WeakPolarHBondContact CA-OD1 3.02Å; G408-N490 PolarHBondContact N-OD1 3.42Å
409	M	94.6	Very high	92.1	Very high	2 Å²	2	25 Å²	25	1%	0.01	12%	0.118	C	C	.	.	H	α-helix	trans	-72.3	-43.9	-161.2	-174.1	61.5	69.6	0	0	113	D406 E407 H411 L412 V413 V486 N490 W534 T535 M538	D406-M409 HydrophobicContact CB-CB 4.23Å; D406-M409 WeakPolarHBondContact O-CB 3.41Å; D406-M409 PolarHBondContact O-N 2.79Å; D406-M409 VanDerWaalsContact O-N 3.13Å; E407-M409 VanDerWaalsContact C-N 3.32Å; E407-M409 PolarHBondContact O-N 3.14Å; M409-H411 VanDerWaalsContact C-N 3.32Å; M409-H411 PolarHBondContact O-N 2.7Å; M409-L412 WeakPolarHBondContact O-CB 3.07Å; M409-L412 PolarHBondContact O-N 2.93Å; M409-L412 HydrophobicContact SD-CD2 4.3Å; M409-V413 WeakPolarHBondContact O-CG2 3.33Å; M409-V413 PolarHBondContact O-N 3.12Å; M409-V413 HydrophobicContact SD-CG2 4.4Å; M409-V486 HydrophobicContact CE-CG1 3.79Å; M409-V486 HydrophobicContact SD-CG1 4.08Å; M409-N490 HydrophobicContact CE-CB 3.67Å; M409-N490 PolarHBondContact N-OD1 3.26Å; M409-W534 HydrophobicContact CE-CE3 4.19Å; M409-W534 HydrophobicContact CE-CZ3 4.43Å; M409-W534 HydrophobicContact CG-CZ3 4.45Å; M409-W534 HydrophobicContact SD-CE3 3.87Å; M409-W534 HydrophobicContact SD-CZ3 3.52Å; M409-W534 VanDerWaalsContact SD-CZ3 3.52Å; M409-T535 HydrophobicContact CG-CG2 4.37Å; M409-T535 WeakPolarHBondContact CG-O 3.39Å; M409-M538 HydrophobicContact CB-CG 4.03Å; M409-M538 HydrophobicContact CB-SD 4.26Å; M409-M538 HydrophobicContact CG-CG 4.28Å; M409-M538 HydrophobicContact CG-SD 4.07Å
410	Y	90.5	Very high	91.8	Very high	65 Å²	65	25.2 Å²	25.2	26%	0.255	12%	0.119	S	C	.	.	H	α-helix	trans	-58.4	-48	180	178.4	-98.7	0	0	0	110.8	L412 V413 Q414 M538	Y410-L412 VanDerWaalsContact C-N 3.26Å; Y410-L412 PolarHBondContact O-N 3.41Å; Y410-V413 PolarHBondContact O-N 3.02Å; Y410-Q414 HydrophobicContact CD1-CG 4.3Å; Y410-Q414 HydrophobicContact CD2-CG 4.47Å; Y410-Q414 HydrophobicContact CE1-CG 3.89Å; Y410-Q414 HydrophobicContact CE2-CG 4.08Å; Y410-Q414 VanDerWaalsContact O-CG 3.32Å; Y410-Q414 WeakPolarHBondContact O-CG 3.29Å; Y410-Q414 PolarHBondContact O-N 3.35Å; Y410-M538 HydrophobicContact CD2-SD 4.34Å
411	H	89.3	Confident	91.2	Very high	16 Å²	16	26.3 Å²	26.3	7%	0.074	12%	0.124	C	C	.	.	H	α-helix	trans	-66.5	-28.4	177.5	-71.8	-84.7	0	0	0	112.6	Y366 F367 G408 M409 S415	Y366-H411 HydrophobicContact CD2-CB 4.22Å; Y366-H411 VanDerWaalsContact CE2-C 3.5Å; Y366-H411 HydrophobicContact CE2-CB 3.67Å; F367-H411 AromaticContact CD1-CE1 3.78Å; F367-H411 AromaticContact CD1-ND1 3.97Å; F367-H411 AromaticContact CD1-NE2 3.92Å; F367-H411 HydrophobicContact CD2-CB 3.81Å; F367-H411 AromaticContact CD2-CG 3.73Å; F367-H411 AromaticContact CE1-CD2 3.39Å; F367-H411 WeakPolarHBondContact CE1-CD2 3.3Å; F367-H411 AromaticContact CE1-CE1 3.62Å; F367-H411 AromaticContact CE1-CG 3.82Å; F367-H411 AromaticContact CE1-ND1 3.96Å; F367-H411 AromaticContact CE1-NE2 3.27Å; F367-H411 VanDerWaalsContact CE1-NE2 3.27Å; F367-H411 WeakPolarHBondContact CE1-NE2 3.36Å; F367-H411 HydrophobicContact CE2-CB 3.45Å; F367-H411 VanDerWaalsContact CE2-CB 3.45Å; F367-H411 AromaticContact CE2-CD2 3.46Å; F367-H411 VanDerWaalsContact CE2-CD2 3.46Å; F367-H411 WeakPolarHBondContact CE2-CD2 3.06Å; F367-H411 AromaticContact CE2-CG 3.35Å; F367-H411 HydrophobicContact CZ-CB 4.01Å; F367-H411 AromaticContact CZ-CD2 3Å; F367-H411 WeakPolarHBondContact CZ-CD2 3.4Å; F367-H411 AromaticContact CZ-CG 3.41Å; F367-H411 VanDerWaalsContact CZ-CG 3.41Å; F367-H411 AromaticContact CZ-NE2 3.46Å; F367-H411 WeakPolarHBondContact CZ-NE2 3.03Å; G408-H411 PolarHBondContact O-N 3.33Å; M409-H411 VanDerWaalsContact C-N 3.32Å; M409-H411 PolarHBondContact O-N 2.7Å; H411-S415 WeakPolarHBondContact O-CB 3.21Å; H411-S415 PolarHBondContact O-N 3.47Å; H411-S415 PolarHBondContact O-OG 2.92Å
412	L	91	Very high	90.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-68.8	-49.1	177.2	-170.7	67.4	0	0	0	109.9	Y366 G408 M409 Y410 Q414 L416 F420 I450 V486 L489	Y366-L412 HydrophobicContact CE2-CB 3.99Å; Y366-L412 HydrophobicContact CE2-CD1 4.21Å; G408-L412 WeakPolarHBondContact O-CB 3.28Å; G408-L412 PolarHBondContact O-N 3.16Å; M409-L412 WeakPolarHBondContact O-CB 3.07Å; M409-L412 PolarHBondContact O-N 2.93Å; M409-L412 HydrophobicContact SD-CD2 4.3Å; Y410-L412 VanDerWaalsContact C-N 3.26Å; Y410-L412 PolarHBondContact O-N 3.41Å; L412-Q414 VanDerWaalsContact C-N 3.33Å; L412-Q414 PolarHBondContact O-N 3Å; L412-L416 HydrophobicContact CD1-CD1 3.6Å; L412-L416 HydrophobicContact CD1-CG 4.29Å; L412-L416 VanDerWaalsContact O-CB 3.27Å; L412-L416 WeakPolarHBondContact O-CB 3.2Å; L412-L416 PolarHBondContact O-N 3.18Å; L412-F420 HydrophobicContact CD2-CE2 4.39Å; L412-F420 HydrophobicContact CD2-CZ 3.8Å; L412-F420 HydrophobicContact CG-CE2 3.83Å; L412-F420 HydrophobicContact CG-CZ 3.75Å; L412-I450 HydrophobicContact CD1-CD1 4.46Å; L412-V486 HydrophobicContact CD2-CG1 4.17Å; L412-L489 HydrophobicContact CD1-CB 4.25Å; L412-L489 HydrophobicContact CD2-CB 4.15Å
413	V	89.9	Confident	89.5	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.006	18%	0.183	C	C	.	.	H	α-helix	trans	-60.1	-43.5	177	175.4	0	0	0	0	111.4	M409 Y410 R417 F420 M421 P427 W531 W534	M409-V413 WeakPolarHBondContact O-CG2 3.33Å; M409-V413 PolarHBondContact O-N 3.12Å; M409-V413 HydrophobicContact SD-CG2 4.4Å; Y410-V413 PolarHBondContact O-N 3.02Å; V413-R417 VanDerWaalsContact O-CA 3.24Å; V413-R417 WeakPolarHBondContact O-CA 3.33Å; V413-R417 PolarHBondContact O-N 3.2Å; V413-F420 HydrophobicContact CG1-CB 4.17Å; V413-F420 HydrophobicContact CG2-CD1 4.17Å; V413-F420 HydrophobicContact CG2-CG 4.32Å; V413-M421 HydrophobicContact CG1-CG 4.17Å; V413-M421 HydrophobicContact CG1-SD 3.8Å; V413-P427 HydrophobicContact CG1-CB 4.12Å; V413-P427 HydrophobicContact CG1-CG 4.12Å; V413-W531 HydrophobicContact CG1-CZ3 4.47Å; V413-W534 HydrophobicContact CG2-CH2 3.72Å; V413-W534 HydrophobicContact CG2-CZ3 3.91Å
414	Q	85	Confident	88.4	Confident	58 Å²	58	37.6 Å²	37.6	27%	0.271	21%	0.209	S	C	.	.	H	α-helix	trans	-76.1	-43.9	-177.2	-65.9	-61.7	-18.1	0	0	113.4	Y410 L412 R417	Y410-Q414 HydrophobicContact CD1-CG 4.3Å; Y410-Q414 HydrophobicContact CD2-CG 4.47Å; Y410-Q414 HydrophobicContact CE1-CG 3.89Å; Y410-Q414 HydrophobicContact CE2-CG 4.08Å; Y410-Q414 VanDerWaalsContact O-CG 3.32Å; Y410-Q414 WeakPolarHBondContact O-CG 3.29Å; Y410-Q414 PolarHBondContact O-N 3.35Å; L412-Q414 VanDerWaalsContact C-N 3.33Å; L412-Q414 PolarHBondContact O-N 3Å; Q414-R417 WeakPolarHBondContact O-CB 3.06Å
415	S	82.2	Confident	87.6	Confident	56 Å²	56	39.2 Å²	39.2	39%	0.392	22%	0.22	S	C	.	.	H	α-helix	trans	-74.9	-31.7	-176.8	-47.6	0	0	0	0	111.7	H411	H411-S415 WeakPolarHBondContact O-CB 3.21Å; H411-S415 PolarHBondContact O-N 3.47Å; H411-S415 PolarHBondContact O-OG 2.92Å
416	L	86	Confident	86.9	Confident	3 Å²	3	37.5 Å²	37.5	2%	0.016	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	31.9	178.2	-62.1	-171.8	0	0	0	111.8	L412 M418 Y419 F420 F433 Y449	L412-L416 HydrophobicContact CD1-CD1 3.6Å; L412-L416 HydrophobicContact CD1-CG 4.29Å; L412-L416 VanDerWaalsContact O-CB 3.27Å; L412-L416 WeakPolarHBondContact O-CB 3.2Å; L412-L416 PolarHBondContact O-N 3.18Å; L416-M418 PolarHBondContact O-N 2.9Å; L416-Y419 HydrophobicContact CB-CD2 4.11Å; L416-Y419 WeakPolarHBondContact O-CB 3.31Å; L416-Y419 PolarHBondContact O-N 2.97Å; L416-F420 HydrophobicContact CB-CD2 3.84Å; L416-F420 HydrophobicContact CB-CE2 3.77Å; L416-F420 HydrophobicContact CD1-CE2 4.34Å; L416-F420 WeakPolarHBondContact O-CD2 3.49Å; L416-F420 PolarHBondContact O-N 3.03Å; L416-F433 HydrophobicContact CD1-CZ 4.45Å; L416-Y449 HydrophobicContact CD1-CD2 4.45Å; L416-Y449 HydrophobicContact CD2-CD1 3.51Å; L416-Y449 HydrophobicContact CD2-CD2 3.75Å; L416-Y449 HydrophobicContact CD2-CE1 3.9Å; L416-Y449 HydrophobicContact CD2-CE2 4.14Å; L416-Y449 HydrophobicContact CD2-CG 3.43Å; L416-Y449 VanDerWaalsContact CD2-CG 3.43Å
417	R	85	Confident	86.5	Confident	50 Å²	50	36.2 Å²	36.2	19%	0.189	20%	0.204	C	C	.	.	H	α-helix	trans	-49.3	-38.2	-172.9	-170.9	173.7	-178.5	168	-5.2	113.8	E95 V413 Q414 Y419 F420 M421	E95-R417 IonicContact OE1-CZ 3.85Å; E95-R417 IonicContact OE1-NH1 3.68Å; E95-R417 PolarHBondContact OE1-NH1 3.41Å; E95-R417 IonicContact OE2-CZ 3.85Å; E95-R417 IonicContact OE2-NH1 2.66Å; E95-R417 PolarHBondContact OE2-NH1 3.22Å; E95-R417 IonicContact OE2-NH2 2.75Å; E95-R417 PolarHBondContact OE2-NH2 3.21Å; V413-R417 VanDerWaalsContact O-CA 3.24Å; V413-R417 WeakPolarHBondContact O-CA 3.33Å; V413-R417 PolarHBondContact O-N 3.2Å; Q414-R417 WeakPolarHBondContact O-CB 3.06Å; R417-Y419 PolarHBondContact O-N 2.95Å; R417-Y419 VanDerWaalsContact O-N 3.08Å; R417-F420 PolarHBondContact O-N 2.83Å; R417-F420 VanDerWaalsContact O-N 3.09Å; R417-M421 HydrophobicContact CG-CB 3.77Å; R417-M421 HydrophobicContact CG-CG 4.18Å; R417-M421 HydrophobicContact CG-SD 3.94Å; R417-M421 PolarHBondContact O-N 2.78Å
418	M	84.1	Confident	86.3	Confident	104 Å²	104	41.9 Å²	41.9	51%	0.512	23%	0.231	S	C	.	.	H	α-helix	trans	-56.1	-24.7	177	66.6	-165.8	170.6	0	0	114.8	T362 L416 Y449	T362-M418 HydrophobicContact CG2-CE 4.42Å; T362-M418 HydrophobicContact CG2-SD 4.32Å; L416-M418 PolarHBondContact O-N 2.9Å; M418-Y449 HydrophobicContact CE-CE1 4.13Å; M418-Y449 VanDerWaalsContact CE-OH 3.3Å; M418-Y449 WeakPolarHBondContact CE-OH 3.28Å
419	Y	88.9	Confident	86.4	Confident	46 Å²	46	44.3 Å²	44.3	18%	0.18	24%	0.243	C	C	.	.	H	α-helix	trans	-95.1	-32.2	176.7	-65	-63.6	0	0	0	112.7	L416 R417 P430 E432 F433 Y449	L416-Y419 HydrophobicContact CB-CD2 4.11Å; L416-Y419 WeakPolarHBondContact O-CB 3.31Å; L416-Y419 PolarHBondContact O-N 2.97Å; R417-Y419 PolarHBondContact O-N 2.95Å; R417-Y419 VanDerWaalsContact O-N 3.08Å; Y419-P430 WeakPolarHBondContact O-CB 3.16Å; Y419-P430 WeakPolarHBondContact O-CG 3.43Å; Y419-E432 HydrophobicContact CD1-CB 4.44Å; Y419-F433 AromaticContact CD1-CE1 3.95Å; Y419-F433 HydrophobicContact CD1-CE1 3.95Å; Y419-F433 HydrophobicContact CD2-CE1 4.05Å; Y419-F433 HydrophobicContact CD2-CZ 4.03Å; Y419-F433 HydrophobicContact CE1-CE1 4.32Å; Y419-F433 HydrophobicContact CE2-CE1 4.37Å; Y419-F433 AromaticContact CG-CE1 3.82Å; Y419-F433 HydrophobicContact CG-CE1 3.82Å; Y419-F433 HydrophobicContact CG-CZ 4Å; Y419-Y449 HydrophobicContact CE2-CE2 4.33Å
420	F	90.5	Very high	86.3	Confident	3 Å²	3	44.3 Å²	44.3	1%	0.013	24%	0.243	C	C	.	.	H	α-helix	trans	-95.5	-28.3	-172.9	-72.5	-84.5	0	0	0	113.8	L412 V413 L416 R417 P427 Q428 P430 F433 V486 W534	L412-F420 HydrophobicContact CD2-CE2 4.39Å; L412-F420 HydrophobicContact CD2-CZ 3.8Å; L412-F420 HydrophobicContact CG-CE2 3.83Å; L412-F420 HydrophobicContact CG-CZ 3.75Å; V413-F420 HydrophobicContact CG1-CB 4.17Å; V413-F420 HydrophobicContact CG2-CD1 4.17Å; V413-F420 HydrophobicContact CG2-CG 4.32Å; L416-F420 HydrophobicContact CB-CD2 3.84Å; L416-F420 HydrophobicContact CB-CE2 3.77Å; L416-F420 HydrophobicContact CD1-CE2 4.34Å; L416-F420 WeakPolarHBondContact O-CD2 3.49Å; L416-F420 PolarHBondContact O-N 3.03Å; R417-F420 PolarHBondContact O-N 2.83Å; R417-F420 VanDerWaalsContact O-N 3.09Å; F420-P427 CarbonylContact O-C 3.58Å; F420-P427 VanDerWaalsContact O-CA 3.25Å; F420-P427 WeakPolarHBondContact O-CA 3.39Å; F420-Q428 WeakPolarHBondContact CD1-O 3.49Å; F420-Q428 PolarHBondContact O-N 3.48Å; F420-P430 HydrophobicContact CD1-CG 3.73Å; F420-P430 HydrophobicContact CD2-CG 4.17Å; F420-P430 VanDerWaalsContact CE1-CD 3.47Å; F420-P430 HydrophobicContact CE1-CG 3.65Å; F420-P430 HydrophobicContact CE2-CG 4.06Å; F420-P430 HydrophobicContact CG-CG 4.01Å; F420-P430 HydrophobicContact CZ-CG 3.82Å; F420-F433 HydrophobicContact CE2-CE2 4.34Å; F420-F433 HydrophobicContact CZ-CE2 4.15Å; F420-V486 HydrophobicContact CE1-CG1 4.27Å; F420-V486 HydrophobicContact CE1-CG2 3.87Å; F420-V486 HydrophobicContact CZ-CG1 4.5Å; F420-V486 HydrophobicContact CZ-CG2 3.91Å; F420-W534 AromaticContact CD1-CH2 3.52Å; F420-W534 HydrophobicContact CD1-CH2 3.52Å; F420-W534 HydrophobicContact CD1-CZ2 4.29Å; F420-W534 HydrophobicContact CD1-CZ3 4.06Å; F420-W534 AromaticContact CE1-CH2 3.81Å; F420-W534 HydrophobicContact CE1-CH2 3.81Å; F420-W534 AromaticContact CE1-CZ3 3.86Å; F420-W534 HydrophobicContact CE1-CZ3 3.86Å
421	M	85.6	Confident	86.3	Confident	24 Å²	24	50.2 Å²	50.2	12%	0.118	27%	0.265	C	S	.	.			trans	-136.2	117.7	-169	-57.7	177	66.2	0	0	110.4	V413 R417 P427	V413-M421 HydrophobicContact CG1-CG 4.17Å; V413-M421 HydrophobicContact CG1-SD 3.8Å; R417-M421 HydrophobicContact CG-CB 3.77Å; R417-M421 HydrophobicContact CG-CG 4.18Å; R417-M421 HydrophobicContact CG-SD 3.94Å; R417-M421 PolarHBondContact O-N 2.78Å; M421-P427 HydrophobicContact CG-CB 4.1Å; M421-P427 HydrophobicContact CG-CG 4.09Å; M421-P427 HydrophobicContact SD-CG 4.3Å
422	S	82.7	Confident	86.4	Confident	80 Å²	80	53.4 Å²	53.4	56%	0.559	28%	0.28	S	S	*	.			trans	-81.7	152.3	161.9	-56.9	0	0	0	0	109.8	G424 S425	S422-G424 PolarHBondContact O-N 3.47Å; S422-S425 WeakPolarHBondContact CA-OG 3.49Å; S422-S425 WeakPolarHBondContact CB-OG 3.47Å; S422-S425 PolarHBondContact N-OG 3.25Å; S422-S425 WeakPolarHBondContact O-CB 3.32Å; S422-S425 PolarHBondContact O-N 3.27Å; S422-S425 PolarHBondContact O-OG 2.99Å
423	P	76.6	Confident	86.5	Confident	105 Å²	105	53.7 Å²	53.7	68%	0.682	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	132.8	171.5	-25.8	34.6	0	0	0	111.4	S425	P423-S425 PolarHBondContact O-N 3.02Å
424	G	74.2	Confident	86.7	Confident	52 Å²	52	59 Å²	59	54%	0.536	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	1.5	-179.2	0	0	0	0	0	115.5	S422	S422-G424 PolarHBondContact O-N 3.47Å
425	S	79.2	Confident	87	Confident	35 Å²	35	58.7 Å²	58.7	25%	0.245	30%	0.299	C	S	.	.			trans	-111.7	152.6	-172.6	74.8	0	0	0	0	113.7	S422 P423	S422-S425 WeakPolarHBondContact CA-OG 3.49Å; S422-S425 WeakPolarHBondContact CB-OG 3.47Å; S422-S425 PolarHBondContact N-OG 3.25Å; S422-S425 WeakPolarHBondContact O-CB 3.32Å; S422-S425 PolarHBondContact O-N 3.27Å; S422-S425 PolarHBondContact O-OG 2.99Å; P423-S425 PolarHBondContact O-N 3.02Å
426	W	83.6	Confident	87.2	Confident	60 Å²	60	60.7 Å²	60.7	23%	0.227	31%	0.306	C	S	.	.			trans	-74.5	145.3	169.1	-146.4	-126.3	0	0	0	110.4	D101 T104 Q428 T530	D101-W426 HydrophobicContact CB-CE3 4.06Å; D101-W426 HydrophobicContact CB-CH2 3.04Å; D101-W426 HydrophobicContact CB-CZ2 3.65Å; D101-W426 HydrophobicContact CB-CZ3 3.25Å; D101-W426 WeakPolarHBondContact OD1-CH2 3.47Å; D101-W426 WeakPolarHBondContact OD1-CZ2 3.32Å; T104-W426 HydrophobicContact CG2-CH2 3.57Å; T104-W426 HydrophobicContact CG2-CZ3 4.2Å; W426-Q428 PolarHBondContact O-N 2.9Å; W426-Q428 PolarHBondContact O-NE2 3.49Å; W426-Q428 VanDerWaalsContact O-NE2 3.1Å; W426-T530 PolarHBondContact NE1-O 2.76Å
427	P	88.7	Confident	87.3	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	32%	0.324	C	S	.	.			trans	-52	136.5	-176.3	-18.3	20.1	0	0	0	113.2	V413 F420 M421 W531 P532 W534	V413-P427 HydrophobicContact CG1-CB 4.12Å; V413-P427 HydrophobicContact CG1-CG 4.12Å; F420-P427 CarbonylContact O-C 3.58Å; F420-P427 VanDerWaalsContact O-CA 3.25Å; F420-P427 WeakPolarHBondContact O-CA 3.39Å; M421-P427 HydrophobicContact CG-CB 4.1Å; M421-P427 HydrophobicContact CG-CG 4.09Å; M421-P427 HydrophobicContact SD-CG 4.3Å; P427-W531 HydrophobicContact CG-CE3 3.91Å; P427-W531 HydrophobicContact CG-CZ3 3.47Å; P427-W531 VanDerWaalsContact CG-CZ3 3.47Å; P427-P532 HydrophobicContact CB-CG 4.39Å; P427-P532 WeakPolarHBondContact O-CG 3.46Å; P427-W534 HydrophobicContact CB-CH2 4.27Å; P427-W534 HydrophobicContact CB-CZ2 4.09Å
428	Q	92	Very high	87.1	Confident	120 Å²	120	62.6 Å²	62.6	56%	0.561	32%	0.321	S	S	*	.			trans	-119.6	156.2	178	-61.1	-58.6	-47.4	0	0	110.3	F420 W426 P430	F420-Q428 WeakPolarHBondContact CD1-O 3.49Å; F420-Q428 PolarHBondContact O-N 3.48Å; W426-Q428 PolarHBondContact O-N 2.9Å; W426-Q428 PolarHBondContact O-NE2 3.49Å; W426-Q428 VanDerWaalsContact O-NE2 3.1Å; Q428-P430 WeakPolarHBondContact O-CD 3.42Å
429	I	93.6	Very high	86.9	Confident	51 Å²	51	64.7 Å²	64.7	26%	0.262	33%	0.334	S	S	.	.			trans	-67.2	125.6	168.1	-63.5	-174.7	0	0	0	107.8	R431 L483 W534	I429-R431 PolarHBondContact O-N 3.42Å; I429-L483 HydrophobicContact CD1-CB 4.35Å; I429-L483 HydrophobicContact CD1-CD1 3.96Å; I429-W534 HydrophobicContact CD1-CB 4.03Å; I429-W534 HydrophobicContact CD1-CD2 4.38Å; I429-W534 HydrophobicContact CD1-CG 3.72Å; I429-W534 HydrophobicContact CG1-CB 4.43Å; I429-W534 HydrophobicContact CG1-CD2 3.81Å; I429-W534 HydrophobicContact CG1-CG 3.63Å; I429-W534 HydrophobicContact CG1-CZ2 4.44Å; I429-W534 VanDerWaalsContact CG1-NE1 3.29Å
430	P	92.7	Very high	86.7	Confident	1 Å²	1	63.2 Å²	63.2	1%	0.006	33%	0.329	C	S	.	.			trans	-63.3	118.8	-178.8	-21.1	31.9	0	0	0	110.9	Y419 F420 Q428 E432 F433 S482	Y419-P430 WeakPolarHBondContact O-CB 3.16Å; Y419-P430 WeakPolarHBondContact O-CG 3.43Å; F420-P430 HydrophobicContact CD1-CG 3.73Å; F420-P430 HydrophobicContact CD2-CG 4.17Å; F420-P430 VanDerWaalsContact CE1-CD 3.47Å; F420-P430 HydrophobicContact CE1-CG 3.65Å; F420-P430 HydrophobicContact CE2-CG 4.06Å; F420-P430 HydrophobicContact CG-CG 4.01Å; F420-P430 HydrophobicContact CZ-CG 3.82Å; Q428-P430 WeakPolarHBondContact O-CD 3.42Å; P430-E432 PolarHBondContact O-N 3.35Å; P430-F433 HydrophobicContact CB-CD1 4.01Å; P430-F433 HydrophobicContact CB-CD2 4.01Å; P430-F433 HydrophobicContact CB-CE1 4.17Å; P430-F433 HydrophobicContact CB-CE2 4.18Å; P430-F433 HydrophobicContact CB-CG 3.91Å; P430-F433 HydrophobicContact CB-CZ 4.25Å; P430-F433 HydrophobicContact CG-CD2 3.96Å; P430-F433 HydrophobicContact CG-CE2 3.82Å; P430-F433 HydrophobicContact CG-CG 4.39Å; P430-F433 HydrophobicContact CG-CZ 4.12Å; P430-F433 PolarHBondContact O-N 2.58Å; P430-S482 WeakPolarHBondContact O-CB 3.35Å; P430-S482 PolarHBondContact O-OG 2.78Å
431	R	92.2	Very high	86.8	Confident	190 Å²	190	63.7 Å²	63.7	72%	0.717	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-66.9	-32.6	178	-66.4	-176.2	-178.3	-175.6	1.9	110.2	I429 F433 R434 I437	I429-R431 PolarHBondContact O-N 3.42Å; R431-F433 PolarHBondContact O-N 2.93Å; R431-R434 WeakPolarHBondContact O-CB 3.49Å; R431-R434 PolarHBondContact O-N 3.1Å; R431-I437 VanDerWaalsContact C-CD1 3.43Å; R431-I437 HydrophobicContact CB-CD1 3.77Å; R431-I437 WeakPolarHBondContact O-CD1 3.42Å; R431-I437 VanDerWaalsContact O-CG1 3.29Å; R431-I437 WeakPolarHBondContact O-CG1 3.17Å
432	E	90.4	Very high	87.2	Confident	83 Å²	83	62.6 Å²	62.6	39%	0.388	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-60.1	-9	177.4	-57	74.8	-164.2	0	0	113.4	Y419 P430 A438	Y419-E432 HydrophobicContact CD1-CB 4.44Å; P430-E432 PolarHBondContact O-N 3.35Å; E432-A438 VanDerWaalsContact O-CA 3.22Å; E432-A438 WeakPolarHBondContact O-CA 3.21Å
433	F	93.3	Very high	87.7	Confident	5 Å²	5	59.8 Å²	59.8	2%	0.022	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-92.5	-8.9	173.4	-67.9	2.7	0	0	0	112.8	L416 Y419 F420 P430 R431 L445 W480 V485 V486 L489	L416-F433 HydrophobicContact CD1-CZ 4.45Å; Y419-F433 AromaticContact CD1-CE1 3.95Å; Y419-F433 HydrophobicContact CD1-CE1 3.95Å; Y419-F433 HydrophobicContact CD2-CE1 4.05Å; Y419-F433 HydrophobicContact CD2-CZ 4.03Å; Y419-F433 HydrophobicContact CE1-CE1 4.32Å; Y419-F433 HydrophobicContact CE2-CE1 4.37Å; Y419-F433 AromaticContact CG-CE1 3.82Å; Y419-F433 HydrophobicContact CG-CE1 3.82Å; Y419-F433 HydrophobicContact CG-CZ 4Å; F420-F433 HydrophobicContact CE2-CE2 4.34Å; F420-F433 HydrophobicContact CZ-CE2 4.15Å; P430-F433 HydrophobicContact CB-CD1 4.01Å; P430-F433 HydrophobicContact CB-CD2 4.01Å; P430-F433 HydrophobicContact CB-CE1 4.17Å; P430-F433 HydrophobicContact CB-CE2 4.18Å; P430-F433 HydrophobicContact CB-CG 3.91Å; P430-F433 HydrophobicContact CB-CZ 4.25Å; P430-F433 HydrophobicContact CG-CD2 3.96Å; P430-F433 HydrophobicContact CG-CE2 3.82Å; P430-F433 HydrophobicContact CG-CG 4.39Å; P430-F433 HydrophobicContact CG-CZ 4.12Å; P430-F433 PolarHBondContact O-N 2.58Å; R431-F433 PolarHBondContact O-N 2.93Å; F433-L445 HydrophobicContact CD1-CD1 3.72Å; F433-L445 HydrophobicContact CD2-CD1 4.13Å; F433-L445 HydrophobicContact CE1-CD1 3.63Å; F433-L445 HydrophobicContact CE1-CD2 3.86Å; F433-L445 HydrophobicContact CE1-CG 4.43Å; F433-L445 HydrophobicContact CE2-CD1 4.04Å; F433-L445 HydrophobicContact CG-CD1 3.99Å; F433-L445 HydrophobicContact CZ-CD1 3.8Å; F433-L445 HydrophobicContact CZ-CD2 4.15Å; F433-W480 VanDerWaalsContact O-CD1 3.22Å; F433-W480 PolarHBondContact O-NE1 3.35Å; F433-V485 HydrophobicContact CB-CB 4.26Å; F433-V485 HydrophobicContact CB-CG1 4.19Å; F433-V485 HydrophobicContact CD2-CB 4.4Å; F433-V485 HydrophobicContact CD2-CG1 3.8Å; F433-V485 HydrophobicContact CE2-CG1 4.5Å; F433-V485 HydrophobicContact CG-CG1 4.19Å; F433-V486 HydrophobicContact CD2-CG2 3.95Å; F433-V486 HydrophobicContact CE2-CG2 4.28Å; F433-L489 HydrophobicContact CE2-CD1 4.4Å
434	R	93.4	Very high	88.4	Confident	112 Å²	112	56.5 Å²	56.5	42%	0.423	28%	0.281	S	S	.	.	S	Bend	trans	-76	136	178.4	-165.2	178.2	65.8	-177.5	4.4	110.4	R431 D436 I437 A438 S482	R431-R434 WeakPolarHBondContact O-CB 3.49Å; R431-R434 PolarHBondContact O-N 3.1Å; R434-D436 VanDerWaalsContact C-N 3.29Å; R434-D436 WeakPolarHBondContact CD-OD1 3.3Å; R434-D436 VanDerWaalsContact CG-OD1 3.23Å; R434-D436 WeakPolarHBondContact CG-OD1 3.2Å; R434-D436 IonicContact CZ-OD1 3.47Å; R434-D436 IonicContact CZ-OD2 3.28Å; R434-D436 VanDerWaalsContact CZ-OD2 3.28Å; R434-D436 IonicContact NE-OD1 3.46Å; R434-D436 PolarHBondContact NE-OD1 3.19Å; R434-D436 IonicContact NE-OD2 3.37Å; R434-D436 PolarHBondContact NE-OD2 3.19Å; R434-D436 IonicContact NH2-OD1 3.31Å; R434-D436 PolarHBondContact NH2-OD1 3.02Å; R434-D436 IonicContact NH2-OD2 2.68Å; R434-D436 PolarHBondContact NH2-OD2 3.03Å; R434-D436 PolarHBondContact O-N 3.43Å; R434-D436 VanDerWaalsContact O-N 3.07Å; R434-I437 HydrophobicContact CB-CG1 4.16Å; R434-I437 PolarHBondContact O-N 3.4Å; R434-I437 VanDerWaalsContact O-N 3.08Å; R434-A438 WeakPolarHBondContact O-CA 3.41Å; R434-A438 VanDerWaalsContact O-CB 3.24Å; R434-A438 WeakPolarHBondContact O-CB 3.47Å; R434-A438 PolarHBondContact O-N 3.31Å; R434-S482 PolarHBondContact N-OG 3.25Å
435	H	91.8	Very high	89.3	Confident	52 Å²	52	54.2 Å²	54.2	24%	0.241	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47	-42.9	-170.3	169.2	79.9	0	0	0	116.3	I437 R473 G478 W480	H435-I437 VanDerWaalsContact C-N 3.35Å; H435-I437 PolarHBondContact O-N 3.47Å; H435-R473 PolarHBondContact O-NH2 3.1Å; H435-G478 PolarHBondContact CE1-O 3.41Å; H435-G478 PolarHBondContact NE2-O 2.04Å; H435-W480 HydrophobicContact CB-CD2 3.83Å; H435-W480 HydrophobicContact CB-CE3 4.28Å; H435-W480 HydrophobicContact CB-CG 4.1Å; H435-W480 HydrophobicContact CB-CZ2 4.26Å; H435-W480 WeakPolarHBondContact CB-O 3.49Å; H435-W480 PolarHBondContact N-O 2.82Å; H435-W480 VanDerWaalsContact N-O 3.16Å; H435-W480 AromaticContact ND1-CE3 3.75Å; H435-W480 AromaticContact ND1-CH2 3.51Å; H435-W480 AromaticContact ND1-CZ2 3.84Å; H435-W480 AromaticContact ND1-CZ3 3.45Å; H435-W480 WeakPolarHBondContact ND1-CZ3 3.46Å
436	D	87.5	Confident	89.9	Confident	99 Å²	99	52.5 Å²	52.5	53%	0.529	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-22.5	-174.4	63.4	-36.4	0	0	0	114.2	R434	R434-D436 VanDerWaalsContact C-N 3.29Å; R434-D436 WeakPolarHBondContact CD-OD1 3.3Å; R434-D436 VanDerWaalsContact CG-OD1 3.23Å; R434-D436 WeakPolarHBondContact CG-OD1 3.2Å; R434-D436 IonicContact CZ-OD1 3.47Å; R434-D436 IonicContact CZ-OD2 3.28Å; R434-D436 VanDerWaalsContact CZ-OD2 3.28Å; R434-D436 IonicContact NE-OD1 3.46Å; R434-D436 PolarHBondContact NE-OD1 3.19Å; R434-D436 IonicContact NE-OD2 3.37Å; R434-D436 PolarHBondContact NE-OD2 3.19Å; R434-D436 IonicContact NH2-OD1 3.31Å; R434-D436 PolarHBondContact NH2-OD1 3.02Å; R434-D436 IonicContact NH2-OD2 2.68Å; R434-D436 PolarHBondContact NH2-OD2 3.03Å; R434-D436 PolarHBondContact O-N 3.43Å; R434-D436 VanDerWaalsContact O-N 3.07Å
437	I	87.8	Confident	90.3	Very high	77 Å²	77	49.7 Å²	49.7	40%	0.395	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.3	3.7	179.7	57.7	172.9	0	0	0	112.8	R431 R434 H435 L439	R431-I437 VanDerWaalsContact C-CD1 3.43Å; R431-I437 HydrophobicContact CB-CD1 3.77Å; R431-I437 WeakPolarHBondContact O-CD1 3.42Å; R431-I437 VanDerWaalsContact O-CG1 3.29Å; R431-I437 WeakPolarHBondContact O-CG1 3.17Å; R434-I437 HydrophobicContact CB-CG1 4.16Å; R434-I437 PolarHBondContact O-N 3.4Å; R434-I437 VanDerWaalsContact O-N 3.08Å; H435-I437 VanDerWaalsContact C-N 3.35Å; H435-I437 PolarHBondContact O-N 3.47Å; I437-L439 PolarHBondContact O-N 3.15Å
438	A	81	Confident	90.3	Very high	16 Å²	16	49.8 Å²	49.8	13%	0.132	24%	0.235	C	C	.	.			trans	-66.8	117.7	-174	0	0	0	0	0	112.3	E432 R434 M440	E432-A438 VanDerWaalsContact O-CA 3.22Å; E432-A438 WeakPolarHBondContact O-CA 3.21Å; R434-A438 WeakPolarHBondContact O-CA 3.41Å; R434-A438 VanDerWaalsContact O-CB 3.24Å; R434-A438 WeakPolarHBondContact O-CB 3.47Å; R434-A438 PolarHBondContact O-N 3.31Å; A438-M440 VanDerWaalsContact C-N 3.26Å; A438-M440 PolarHBondContact O-N 3.46Å
439	L	79.1	Confident	90.2	Very high	147 Å²	147	44.4 Å²	44.4	77%	0.77	21%	0.209	S	C	*	.	S	Bend	trans	-70.6	-25	173.2	-65.5	175.5	0	0	0	112.2	I437	I437-L439 PolarHBondContact O-N 3.15Å
440	M	85.6	Confident	89.9	Confident	16 Å²	16	42.1 Å²	42.1	8%	0.079	20%	0.198	C	C	.	.	S	Bend	trans	-132.1	142.6	-178.4	-71.5	-179.7	73	0	0	110.2	L359 A438 D444 L445 F448 Y449	L359-M440 HydrophobicContact CD1-CE 4.06Å; L359-M440 HydrophobicContact CD1-SD 3.51Å; L359-M440 VanDerWaalsContact CD1-SD 3.51Å; L359-M440 HydrophobicContact CD2-CE 4.05Å; L359-M440 HydrophobicContact CD2-SD 3.97Å; L359-M440 HydrophobicContact CG-SD 4.38Å; A438-M440 VanDerWaalsContact C-N 3.26Å; A438-M440 PolarHBondContact O-N 3.46Å; M440-D444 HydrophobicContact CB-CB 4.19Å; M440-D444 HydrophobicContact CE-CB 3.47Å; M440-D444 VanDerWaalsContact CE-CB 3.47Å; M440-L445 HydrophobicContact CB-CD2 4.27Å; M440-L445 HydrophobicContact CB-CG 4.32Å; M440-L445 HydrophobicContact CE-CD2 4.4Å; M440-L445 HydrophobicContact SD-CD2 4.07Å; M440-F448 HydrophobicContact CE-CB 4.1Å; M440-F448 HydrophobicContact CE-CD2 3.5Å; M440-F448 VanDerWaalsContact CE-CD2 3.5Å; M440-F448 HydrophobicContact CE-CE2 4Å; M440-F448 HydrophobicContact CE-CG 3.78Å; M440-Y449 HydrophobicContact CE-CE2 4.46Å; M440-Y449 HydrophobicContact SD-CE2 4.48Å
441	D	91.6	Very high	89.8	Confident	12 Å²	12	42.1 Å²	42.1	6%	0.064	20%	0.197	C	C	.	.			trans	-67.2	147.1	165.9	-166.8	-87.9	0	0	0	108.9	L443 D444 L445 S472 R473	D441-L443 PolarHBondContact O-N 3.47Å; D441-L443 VanDerWaalsContact O-N 3.16Å; D441-L443 VanDerWaalsContact OD1-CB 3.31Å; D441-L443 WeakPolarHBondContact OD1-CB 3.36Å; D441-L443 PolarHBondContact OD1-N 2.94Å; D441-D444 WeakPolarHBondContact CB-OD2 3.1Å; D441-D444 PolarHBondContact N-OD2 3.15Å; D441-D444 VanDerWaalsContact N-OD2 3.1Å; D441-D444 WeakPolarHBondContact O-CA 3.3Å; D441-D444 VanDerWaalsContact O-CB 3.28Å; D441-D444 WeakPolarHBondContact O-CB 3.42Å; D441-D444 PolarHBondContact O-N 3.32Å; D441-L445 PolarHBondContact O-N 3.42Å; D441-L445 VanDerWaalsContact O-N 3.13Å; D441-S472 WeakPolarHBondContact OD1-CA 3.01Å; D441-S472 VanDerWaalsContact OD1-CB 3.26Å; D441-S472 WeakPolarHBondContact OD1-CB 3.45Å; D441-S472 PolarHBondContact OD1-OG 2.89Å; D441-R473 WeakPolarHBondContact OD2-CB 3.36Å; D441-R473 WeakPolarHBondContact OD2-CG 3.49Å; D441-R473 PolarHBondContact OD2-N 3.14Å; D441-R473 IonicContact OD2-NH1 2.67Å
442	P	93.8	Very high	89.4	Confident	2 Å²	2	33.6 Å²	33.6	1%	0.013	17%	0.166	C	C	.	.	H	α-helix	trans	-58.3	-26.9	176.5	-28.5	37.9	0	0	0	114	D444 L445 L446 I470 P471 W480 V485	P442-D444 PolarHBondContact O-N 2.96Å; P442-L445 PolarHBondContact O-N 3.49Å; P442-L446 PolarHBondContact O-N 3.19Å; P442-I470 HydrophobicContact CB-CG2 3.67Å; P442-P471 WeakPolarHBondContact CB-O 3.49Å; P442-P471 WeakPolarHBondContact CD-O 3.26Å; P442-P471 WeakPolarHBondContact CG-O 3.32Å; P442-W480 VanDerWaalsContact CD-CZ2 3.49Å; P442-W480 HydrophobicContact CG-CD2 4.47Å; P442-W480 HydrophobicContact CG-CZ2 4.11Å; P442-V485 HydrophobicContact CB-CG1 4.1Å; P442-V485 HydrophobicContact CB-CG2 4.16Å; P442-V485 HydrophobicContact CG-CG1 4.2Å; P442-V485 HydrophobicContact CG-CG2 3.55Å
443	L	93.8	Very high	89.1	Confident	21 Å²	21	31.9 Å²	31.9	11%	0.11	16%	0.158	C	C	.	.	H	α-helix	trans	-60.7	-35.9	169.2	-179.5	149.1	0	0	0	111.8	D441 L446 A447 L461 Q462 V465 A474	D441-L443 PolarHBondContact O-N 3.47Å; D441-L443 VanDerWaalsContact O-N 3.16Å; D441-L443 VanDerWaalsContact OD1-CB 3.31Å; D441-L443 WeakPolarHBondContact OD1-CB 3.36Å; D441-L443 PolarHBondContact OD1-N 2.94Å; L443-L446 WeakPolarHBondContact O-CB 3.42Å; L443-A447 WeakPolarHBondContact O-CB 3.46Å; L443-A447 PolarHBondContact O-N 3.43Å; L443-L461 HydrophobicContact CG-CB 4.49Å; L443-Q462 HydrophobicContact CD1-CG 4.05Å; L443-V465 HydrophobicContact CB-CG2 3.98Å; L443-V465 HydrophobicContact CD1-CG2 3.93Å; L443-V465 HydrophobicContact CG-CG2 3.97Å; L443-A474 HydrophobicContact CD1-CB 4.19Å
444	D	91.9	Very high	88.6	Confident	35 Å²	35	32.4 Å²	32.4	19%	0.187	16%	0.161	C	C	.	.	H	α-helix	trans	-72.9	-39.6	176.8	-53.3	-42.4	0	0	0	110.7	Y351 M440 D441 P442 L446 A447 F448	Y351-D444 WeakPolarHBondContact CE1-OD1 3.5Å; Y351-D444 VanDerWaalsContact CZ-OD1 3.26Å; Y351-D444 WeakPolarHBondContact OH-CA 3.33Å; Y351-D444 PolarHBondContact OH-OD1 3.09Å; M440-D444 HydrophobicContact CB-CB 4.19Å; M440-D444 HydrophobicContact CE-CB 3.47Å; M440-D444 VanDerWaalsContact CE-CB 3.47Å; D441-D444 WeakPolarHBondContact CB-OD2 3.1Å; D441-D444 PolarHBondContact N-OD2 3.15Å; D441-D444 VanDerWaalsContact N-OD2 3.1Å; D441-D444 WeakPolarHBondContact O-CA 3.3Å; D441-D444 VanDerWaalsContact O-CB 3.28Å; D441-D444 WeakPolarHBondContact O-CB 3.42Å; D441-D444 PolarHBondContact O-N 3.32Å; P442-D444 PolarHBondContact O-N 2.96Å; D444-L446 VanDerWaalsContact C-N 3.27Å; D444-L446 PolarHBondContact O-N 3.41Å; D444-A447 PolarHBondContact O-N 2.9Å; D444-A447 VanDerWaalsContact O-N 3.15Å; D444-F448 HydrophobicContact CB-CD2 4.38Å; D444-F448 WeakPolarHBondContact O-CB 3.37Å; D444-F448 VanDerWaalsContact O-CD2 3.25Å; D444-F448 WeakPolarHBondContact O-CD2 3.27Å; D444-F448 PolarHBondContact O-N 3.22Å
445	L	91.6	Very high	88.5	Confident	4 Å²	4	28.1 Å²	28.1	2%	0.021	15%	0.146	C	C	.	.	H	α-helix	trans	-58	-43.7	173.9	-67.6	173.9	0	0	0	111.2	F433 M440 D441 P442 Y449 V485 L489	F433-L445 HydrophobicContact CD1-CD1 3.72Å; F433-L445 HydrophobicContact CD2-CD1 4.13Å; F433-L445 HydrophobicContact CE1-CD1 3.63Å; F433-L445 HydrophobicContact CE1-CD2 3.86Å; F433-L445 HydrophobicContact CE1-CG 4.43Å; F433-L445 HydrophobicContact CE2-CD1 4.04Å; F433-L445 HydrophobicContact CG-CD1 3.99Å; F433-L445 HydrophobicContact CZ-CD1 3.8Å; F433-L445 HydrophobicContact CZ-CD2 4.15Å; M440-L445 HydrophobicContact CB-CD2 4.27Å; M440-L445 HydrophobicContact CB-CG 4.32Å; M440-L445 HydrophobicContact CE-CD2 4.4Å; M440-L445 HydrophobicContact SD-CD2 4.07Å; D441-L445 PolarHBondContact O-N 3.42Å; D441-L445 VanDerWaalsContact O-N 3.13Å; P442-L445 PolarHBondContact O-N 3.49Å; L445-Y449 HydrophobicContact CD2-CD2 4.2Å; L445-Y449 HydrophobicContact CD2-CE2 3.98Å; L445-Y449 WeakPolarHBondContact O-CD2 3.26Å; L445-Y449 PolarHBondContact O-N 3.4Å; L445-Y449 VanDerWaalsContact O-N 3.15Å; L445-V485 HydrophobicContact CD1-CG1 3.9Å; L445-L489 HydrophobicContact CB-CD1 4.14Å; L445-L489 HydrophobicContact CD1-CD1 4.14Å
446	L	92.1	Very high	88.4	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.137	C	C	.	.	I	π-helix	trans	-57.6	-49.7	173.8	176.1	71.8	0	0	0	111.4	P442 L443 D444 I450 M451 L461 T464 V465 I470 L489 V492	P442-L446 PolarHBondContact O-N 3.19Å; L443-L446 WeakPolarHBondContact O-CB 3.42Å; D444-L446 VanDerWaalsContact C-N 3.27Å; D444-L446 PolarHBondContact O-N 3.41Å; L446-I450 HydrophobicContact CD1-CB 4.12Å; L446-I450 HydrophobicContact CD1-CG2 4.2Å; L446-I450 PolarHBondContact O-N 3.22Å; L446-I450 VanDerWaalsContact O-N 3.1Å; L446-M451 HydrophobicContact CD1-CG 3.55Å; L446-M451 HydrophobicContact CD1-SD 3.95Å; L446-M451 HydrophobicContact CD2-CG 4.14Å; L446-M451 HydrophobicContact CG-CG 3.48Å; L446-M451 VanDerWaalsContact CG-CG 3.48Å; L446-M451 HydrophobicContact CG-SD 4.31Å; L446-M451 PolarHBondContact O-N 3.47Å; L446-L461 HydrophobicContact CD2-CD2 4.16Å; L446-L461 HydrophobicContact CG-CD2 4.28Å; L446-T464 HydrophobicContact CD1-CG2 4.23Å; L446-T464 HydrophobicContact CD2-CG2 3.8Å; L446-V465 HydrophobicContact CD2-CG2 3.72Å; L446-I470 HydrophobicContact CD1-CD1 4.4Å; L446-I470 HydrophobicContact CD2-CD1 4.02Å; L446-L489 HydrophobicContact CB-CD2 4.42Å; L446-V492 HydrophobicContact CD1-CG1 3.67Å
447	A	92.4	Very high	88.6	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.122	C	C	.	.	I	π-helix	trans	-65.5	-44	-178.3	0	0	0	0	0	113.1	R343 L443 D444 L456 L461	R343-A447 PolarHBondContact NH2-O 3.41Å; L443-A447 WeakPolarHBondContact O-CB 3.46Å; L443-A447 PolarHBondContact O-N 3.43Å; D444-A447 PolarHBondContact O-N 2.9Å; D444-A447 VanDerWaalsContact O-N 3.15Å; A447-L456 HydrophobicContact CB-CD2 4.36Å; A447-L456 WeakPolarHBondContact O-CD2 3.39Å; A447-L461 HydrophobicContact CB-CD1 3.7Å; A447-L461 HydrophobicContact CB-CD2 3.86Å; A447-L461 HydrophobicContact CB-CG 4.45Å
448	F	89.4	Confident	88.7	Confident	2 Å²	2	23 Å²	23	1%	0.009	12%	0.124	C	C	.	.	I	π-helix	trans	-74.1	-34.3	-174.3	-86.6	-101.4	0	0	0	112.6	R343 L347 Y351 A355 L359 L360 A363 M440 D444	R343-F448 PolarHBondContact NE-O 3.38Å; R343-F448 PolarHBondContact NH2-O 3.15Å; L347-F448 HydrophobicContact CD1-CD1 3.96Å; L347-F448 HydrophobicContact CD1-CE1 4.08Å; L347-F448 HydrophobicContact CD1-CG 4.41Å; L347-F448 HydrophobicContact CD2-CD2 4.31Å; L347-F448 HydrophobicContact CD2-CE2 4.38Å; L347-F448 HydrophobicContact CD2-CG 4.49Å; Y351-F448 AromaticContact CD2-CE2 3.92Å; Y351-F448 HydrophobicContact CD2-CE2 3.92Å; Y351-F448 HydrophobicContact CD2-CZ 4.16Å; Y351-F448 HydrophobicContact CE1-CE2 4.46Å; Y351-F448 HydrophobicContact CE2-CD2 4.16Å; Y351-F448 AromaticContact CE2-CE2 3.39Å; Y351-F448 HydrophobicContact CE2-CE2 3.39Å; Y351-F448 HydrophobicContact CE2-CZ 4.08Å; Y351-F448 AromaticContact CZ-CE2 3.7Å; A355-F448 HydrophobicContact CB-CZ 3.97Å; L359-F448 HydrophobicContact CD1-CD1 4.15Å; L359-F448 HydrophobicContact CD1-CE1 4.29Å; L359-F448 HydrophobicContact CD2-CD1 4.39Å; L359-F448 HydrophobicContact CD2-CE1 3.83Å; L359-F448 HydrophobicContact CD2-CE2 4.27Å; L359-F448 HydrophobicContact CD2-CZ 3.74Å; L359-F448 HydrophobicContact CG-CD1 3.9Å; L359-F448 HydrophobicContact CG-CE1 3.53Å; L359-F448 HydrophobicContact CG-CZ 4.01Å; L360-F448 HydrophobicContact CD2-CE1 4.02Å; L360-F448 HydrophobicContact CD2-CZ 4.41Å; A363-F448 HydrophobicContact CB-CD1 3.81Å; A363-F448 HydrophobicContact CB-CE1 4.41Å; M440-F448 HydrophobicContact CE-CB 4.1Å; M440-F448 HydrophobicContact CE-CD2 3.5Å; M440-F448 VanDerWaalsContact CE-CD2 3.5Å; M440-F448 HydrophobicContact CE-CE2 4Å; M440-F448 HydrophobicContact CE-CG 3.78Å; D444-F448 HydrophobicContact CB-CD2 4.38Å; D444-F448 WeakPolarHBondContact O-CB 3.37Å; D444-F448 VanDerWaalsContact O-CD2 3.25Å; D444-F448 WeakPolarHBondContact O-CD2 3.27Å; D444-F448 PolarHBondContact O-N 3.22Å
449	Y	88.2	Confident	89.2	Confident	7 Å²	7	25.9 Å²	25.9	3%	0.027	14%	0.14	C	C	.	.	I	π-helix	trans	-120.4	-35.5	-165.6	-57	-67.4	0	0	0	115	T362 Y366 L416 M418 Y419 M440 L445	T362-Y449 WeakPolarHBondContact O-CE1 3.46Å; T362-Y449 PolarHBondContact OG1-OH 3.13Å; T362-Y449 VanDerWaalsContact OG1-OH 3.11Å; Y366-Y449 WeakPolarHBondContact CB-O 3.27Å; Y366-Y449 PolarHBondContact N-O 3.38Å; L416-Y449 HydrophobicContact CD1-CD2 4.45Å; L416-Y449 HydrophobicContact CD2-CD1 3.51Å; L416-Y449 HydrophobicContact CD2-CD2 3.75Å; L416-Y449 HydrophobicContact CD2-CE1 3.9Å; L416-Y449 HydrophobicContact CD2-CE2 4.14Å; L416-Y449 HydrophobicContact CD2-CG 3.43Å; L416-Y449 VanDerWaalsContact CD2-CG 3.43Å; M418-Y449 HydrophobicContact CE-CE1 4.13Å; M418-Y449 VanDerWaalsContact CE-OH 3.3Å; M418-Y449 WeakPolarHBondContact CE-OH 3.28Å; Y419-Y449 HydrophobicContact CE2-CE2 4.33Å; M440-Y449 HydrophobicContact CE-CE2 4.46Å; M440-Y449 HydrophobicContact SD-CE2 4.48Å; L445-Y449 HydrophobicContact CD2-CD2 4.2Å; L445-Y449 HydrophobicContact CD2-CE2 3.98Å; L445-Y449 WeakPolarHBondContact O-CD2 3.26Å; L445-Y449 PolarHBondContact O-N 3.4Å; L445-Y449 VanDerWaalsContact O-N 3.15Å
450	I	89.1	Confident	90	Very high	4 Å²	4	18.9 Å²	18.9	2%	0.021	10%	0.103	C	C	.	.	I	π-helix	trans	-102.6	-42.2	-168.4	-59.1	-177	0	0	0	112.4	Y366 L412 L446 L489 V492	Y366-I450 HydrophobicContact CD1-CG2 4.28Å; Y366-I450 HydrophobicContact CG-CG1 4.32Å; L412-I450 HydrophobicContact CD1-CD1 4.46Å; L446-I450 HydrophobicContact CD1-CB 4.12Å; L446-I450 HydrophobicContact CD1-CG2 4.2Å; L446-I450 PolarHBondContact O-N 3.22Å; L446-I450 VanDerWaalsContact O-N 3.1Å; I450-L489 HydrophobicContact CD1-CB 3.74Å; I450-L489 HydrophobicContact CD1-CD1 4.49Å; I450-L489 HydrophobicContact CD1-CD2 3.63Å; I450-L489 HydrophobicContact CD1-CG 4.11Å; I450-V492 HydrophobicContact CG2-CG1 3.89Å
451	M	88.9	Confident	90.4	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	-76.9	138.8	-170.8	-71.2	-69	-75.7	0	0	113.3	R343 Y365 L446 F455 L456 L461 T464 W682 L686	R343-M451 PolarHBondContact NH1-O 2.9Å; R343-M451 PolarHBondContact NH2-O 3.26Å; R343-M451 VanDerWaalsContact NH2-O 3.14Å; Y365-M451 WeakPolarHBondContact CE1-O 3.49Å; L446-M451 HydrophobicContact CD1-CG 3.55Å; L446-M451 HydrophobicContact CD1-SD 3.95Å; L446-M451 HydrophobicContact CD2-CG 4.14Å; L446-M451 HydrophobicContact CG-CG 3.48Å; L446-M451 VanDerWaalsContact CG-CG 3.48Å; L446-M451 HydrophobicContact CG-SD 4.31Å; L446-M451 PolarHBondContact O-N 3.47Å; M451-F455 HydrophobicContact CE-CB 3.55Å; M451-F455 HydrophobicContact CE-CG 4.4Å; M451-L456 HydrophobicContact CB-CD2 3.98Å; M451-L461 HydrophobicContact CB-CD2 4.1Å; M451-L461 HydrophobicContact CE-CD2 4.38Å; M451-L461 HydrophobicContact CG-CD2 3.72Å; M451-T464 WeakPolarHBondContact CE-OG1 3.46Å; M451-T464 HydrophobicContact SD-CG2 4.19Å; M451-W682 HydrophobicContact CE-CH2 4.25Å; M451-W682 HydrophobicContact CE-CZ3 4.12Å; M451-W682 HydrophobicContact SD-CH2 3.7Å; M451-W682 HydrophobicContact SD-CZ3 4.02Å; M451-L686 HydrophobicContact CE-CD2 4.22Å
452	D	84.4	Confident	90.5	Very high	11 Å²	11	21.4 Å²	21.4	6%	0.059	11%	0.114	C	C	.	.			trans	-59.6	145.4	169	-165.1	-93.3	0	0	0	112.6	N454 F455 L456 Y496	D452-N454 PolarHBondContact O-N 3.01Å; D452-N454 WeakPolarHBondContact OD1-CB 3.46Å; D452-N454 PolarHBondContact OD1-N 2.81Å; D452-N454 PolarHBondContact OD1-ND2 2.77Å; D452-F455 HydrophobicContact CB-CD2 3.71Å; D452-F455 HydrophobicContact CB-CE2 4.21Å; D452-F455 CarbonylContact O-C 3.57Å; D452-F455 WeakPolarHBondContact O-CA 3.3Å; D452-F455 PolarHBondContact O-N 2.99Å; D452-L456 PolarHBondContact O-N 2.92Å; D452-L456 VanDerWaalsContact O-N 3.15Å; D452-Y496 HydrophobicContact CB-CE1 4.39Å; D452-Y496 WeakPolarHBondContact CB-OH 3.41Å
453	E	84.2	Confident	90.5	Very high	48 Å²	48	22.4 Å²	22.4	22%	0.224	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-58.4	-34.9	179.6	60.2	174.3	-168.8	0	0	110.4	S342 Q346 Y365 F455 L456	S342-E453 WeakPolarHBondContact CB-OE2 3.26Å; S342-E453 PolarHBondContact OG-OE2 3.1Å; Q346-E453 PolarHBondContact OE1-O 3.28Å; Y365-E453 WeakPolarHBondContact OH-CA 3.24Å; Y365-E453 WeakPolarHBondContact OH-CB 3.44Å; Y365-E453 VanDerWaalsContact OH-CG 3.3Å; Y365-E453 WeakPolarHBondContact OH-CG 3.37Å; Y365-E453 PolarHBondContact OH-N 2.86Å; E453-F455 PolarHBondContact O-N 2.99Å; E453-F455 VanDerWaalsContact O-N 3.15Å; E453-L456 HydrophobicContact CB-CD1 4.49Å; E453-L456 PolarHBondContact O-N 3.49Å; E453-L456 VanDerWaalsContact O-N 3.17Å
454	N	83.5	Confident	90.6	Very high	15 Å²	15	21.4 Å²	21.4	8%	0.08	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-63	-23.4	174.8	-68.4	-62.6	0	0	0	112.6	D452 R690	D452-N454 PolarHBondContact O-N 3.01Å; D452-N454 WeakPolarHBondContact OD1-CB 3.46Å; D452-N454 PolarHBondContact OD1-N 2.81Å; D452-N454 PolarHBondContact OD1-ND2 2.77Å; N454-R690 WeakPolarHBondContact O-CD 3.45Å; N454-R690 PolarHBondContact O-NE 3.29Å; N454-R690 PolarHBondContact OD1-NH2 3.04Å
455	F	90.1	Very high	90.8	Very high	23 Å²	23	19.8 Å²	19.8	10%	0.101	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-107.9	7.6	179.4	-52.4	-58.5	0	0	0	113.6	M451 D452 E453 Q457 L460 Y496 L686 P687	M451-F455 HydrophobicContact CE-CB 3.55Å; M451-F455 HydrophobicContact CE-CG 4.4Å; D452-F455 HydrophobicContact CB-CD2 3.71Å; D452-F455 HydrophobicContact CB-CE2 4.21Å; D452-F455 CarbonylContact O-C 3.57Å; D452-F455 WeakPolarHBondContact O-CA 3.3Å; D452-F455 PolarHBondContact O-N 2.99Å; E453-F455 PolarHBondContact O-N 2.99Å; E453-F455 VanDerWaalsContact O-N 3.15Å; F455-Q457 PolarHBondContact O-N 2.91Å; F455-L460 HydrophobicContact CB-CD1 4.38Å; F455-L460 HydrophobicContact CD1-CD1 4.24Å; F455-L460 WeakPolarHBondContact O-CB 3.12Å; F455-Y496 HydrophobicContact CE2-CE2 4.03Å; F455-L686 HydrophobicContact CB-CD2 4.46Å; F455-L686 HydrophobicContact CD1-CD2 3.97Å; F455-L686 HydrophobicContact CD1-CG 4.09Å; F455-L686 HydrophobicContact CD2-CD2 4.42Å; F455-L686 HydrophobicContact CE1-CD2 4.34Å; F455-L686 HydrophobicContact CE1-CG 4.35Å; F455-L686 HydrophobicContact CG-CD2 4.04Å; F455-P687 HydrophobicContact CE1-CG 4.44Å; F455-P687 HydrophobicContact CZ-CG 4.44Å
456	L	90.7	Very high	91	Very high	11 Å²	11	26.6 Å²	26.6	6%	0.058	14%	0.139	C	C	.	.			trans	-75.9	65.1	175.6	-69.5	-175.5	0	0	0	112.7	R343 Q346 L347 A447 M451 D452 E453	R343-L456 HydrophobicContact CG-CD1 4.16Å; Q346-L456 HydrophobicContact CB-CD1 4.32Å; L347-L456 HydrophobicContact CD2-CD1 4.1Å; L347-L456 HydrophobicContact CD2-CD2 4.43Å; L347-L456 HydrophobicContact CG-CD1 4.16Å; A447-L456 HydrophobicContact CB-CD2 4.36Å; A447-L456 WeakPolarHBondContact O-CD2 3.39Å; M451-L456 HydrophobicContact CB-CD2 3.98Å; D452-L456 PolarHBondContact O-N 2.92Å; D452-L456 VanDerWaalsContact O-N 3.15Å; E453-L456 HydrophobicContact CB-CD1 4.49Å; E453-L456 PolarHBondContact O-N 3.49Å; E453-L456 VanDerWaalsContact O-N 3.17Å
457	Q	91.1	Very high	91.1	Very high	47 Å²	47	27.9 Å²	27.9	22%	0.22	15%	0.145	C	C	.	.	S	Bend	trans	-132.6	142.4	172.9	-57.8	-178.5	9.3	0	0	109.8	F455 V459 L460 L461	F455-Q457 PolarHBondContact O-N 2.91Å; Q457-V459 VanDerWaalsContact C-N 3.26Å; Q457-V459 PolarHBondContact O-N 3.43Å; Q457-V459 VanDerWaalsContact O-N 3.12Å; Q457-L460 HydrophobicContact CB-CB 4.4Å; Q457-L460 HydrophobicContact CB-CD1 3.92Å; Q457-L460 HydrophobicContact CB-CG 4.05Å; Q457-L460 HydrophobicContact CG-CD1 4.07Å; Q457-L460 PolarHBondContact O-N 3.07Å; Q457-L461 WeakPolarHBondContact O-CG 3.48Å; Q457-L461 PolarHBondContact O-N 3.45Å
458	S	90.4	Very high	91.3	Very high	62 Å²	62	28.6 Å²	28.6	43%	0.434	15%	0.148	S	C	.	.	H	α-helix	trans	-50.8	-43	-175.5	-176.8	0	0	0	0	113.5	Q462	S458-Q462 WeakPolarHBondContact O-CB 3.33Å; S458-Q462 WeakPolarHBondContact O-CG 3.39Å; S458-Q462 PolarHBondContact O-N 2.9Å; S458-Q462 PolarHBondContact OG-NE2 2.8Å
459	V	92	Very high	91.5	Very high	77 Å²	77	36.5 Å²	36.5	47%	0.467	19%	0.185	S	C	.	.	H	α-helix	trans	-70.3	-37.7	-178.3	177.3	0	0	0	0	111.4	Q457 Q462 A463 L689 I693	Q457-V459 VanDerWaalsContact C-N 3.26Å; Q457-V459 PolarHBondContact O-N 3.43Å; Q457-V459 VanDerWaalsContact O-N 3.12Å; V459-Q462 PolarHBondContact O-N 3.05Å; V459-A463 WeakPolarHBondContact O-CB 3.32Å; V459-A463 PolarHBondContact O-N 3.41Å; V459-L689 HydrophobicContact CG1-CD2 4.16Å; V459-I693 HydrophobicContact CB-CD1 4.02Å; V459-I693 HydrophobicContact CG1-CD1 4.19Å
460	L	94.7	Very high	91.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-70.5	-42.6	179.3	-58.4	177.5	0	0	0	110.8	F455 Q457 A463 T464 L686 L689 R690 I693	F455-L460 HydrophobicContact CB-CD1 4.38Å; F455-L460 HydrophobicContact CD1-CD1 4.24Å; F455-L460 WeakPolarHBondContact O-CB 3.12Å; Q457-L460 HydrophobicContact CB-CB 4.4Å; Q457-L460 HydrophobicContact CB-CD1 3.92Å; Q457-L460 HydrophobicContact CB-CG 4.05Å; Q457-L460 HydrophobicContact CG-CD1 4.07Å; Q457-L460 PolarHBondContact O-N 3.07Å; L460-A463 WeakPolarHBondContact O-CB 3.36Å; L460-A463 PolarHBondContact O-N 2.97Å; L460-T464 PolarHBondContact O-N 2.82Å; L460-T464 PolarHBondContact O-OG1 2.74Å; L460-L686 HydrophobicContact CB-CD1 4.03Å; L460-L686 HydrophobicContact CD2-CD1 3.78Å; L460-L686 HydrophobicContact CD2-CG 4.39Å; L460-L686 HydrophobicContact CG-CD1 4.49Å; L460-L689 HydrophobicContact CD2-CB 3.95Å; L460-L689 HydrophobicContact CD2-CD2 3.83Å; L460-L689 HydrophobicContact CD2-CG 3.7Å; L460-R690 HydrophobicContact CD1-CB 3.84Å; L460-R690 HydrophobicContact CD1-CG 4.06Å; L460-R690 HydrophobicContact CD2-CB 4.24Å; L460-I693 HydrophobicContact CD2-CD1 3.88Å; L460-I693 HydrophobicContact CG-CD1 4.02Å
461	L	94	Very high	92.1	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-59.9	-46.3	173.2	-68.7	168.5	0	0	0	111.7	L350 L443 L446 A447 M451 Q457 A463 T464 V465	L350-L461 HydrophobicContact CD2-CD1 3.55Å; L443-L461 HydrophobicContact CG-CB 4.49Å; L446-L461 HydrophobicContact CD2-CD2 4.16Å; L446-L461 HydrophobicContact CG-CD2 4.28Å; A447-L461 HydrophobicContact CB-CD1 3.7Å; A447-L461 HydrophobicContact CB-CD2 3.86Å; A447-L461 HydrophobicContact CB-CG 4.45Å; M451-L461 HydrophobicContact CB-CD2 4.1Å; M451-L461 HydrophobicContact CE-CD2 4.38Å; M451-L461 HydrophobicContact CG-CD2 3.72Å; Q457-L461 WeakPolarHBondContact O-CG 3.48Å; Q457-L461 PolarHBondContact O-N 3.45Å; L461-A463 VanDerWaalsContact C-N 3.32Å; L461-A463 PolarHBondContact O-N 3.25Å; L461-T464 PolarHBondContact O-N 2.98Å; L461-V465 WeakPolarHBondContact O-CB 3.46Å; L461-V465 VanDerWaalsContact O-CG2 3.27Å; L461-V465 WeakPolarHBondContact O-CG2 3.35Å; L461-V465 PolarHBondContact O-N 3.26Å
462	Q	93.7	Very high	92.3	Very high	78 Å²	78	36.8 Å²	36.8	36%	0.364	19%	0.188	S	C	.	.	H	α-helix	trans	-63.4	-37.9	176.9	-74.5	171.3	18	0	0	112.3	L443 S458 V459 V465 F466	L443-Q462 HydrophobicContact CD1-CG 4.05Å; S458-Q462 WeakPolarHBondContact O-CB 3.33Å; S458-Q462 WeakPolarHBondContact O-CG 3.39Å; S458-Q462 PolarHBondContact O-N 2.9Å; S458-Q462 PolarHBondContact OG-NE2 2.8Å; V459-Q462 PolarHBondContact O-N 3.05Å; Q462-V465 PolarHBondContact O-N 3.17Å; Q462-F466 VanDerWaalsContact O-CB 3.3Å; Q462-F466 WeakPolarHBondContact O-CB 3.12Å; Q462-F466 PolarHBondContact O-N 3.41Å
463	A	94.9	Very high	92.6	Very high	24 Å²	24	41.8 Å²	41.8	20%	0.198	21%	0.206	C	C	.	.	H	α-helix	trans	-62.1	-44.6	174.4	0	0	0	0	0	111.4	V459 L460 L461 F466 E467 F681 L686 L689	V459-A463 WeakPolarHBondContact O-CB 3.32Å; V459-A463 PolarHBondContact O-N 3.41Å; L460-A463 WeakPolarHBondContact O-CB 3.36Å; L460-A463 PolarHBondContact O-N 2.97Å; L461-A463 VanDerWaalsContact C-N 3.32Å; L461-A463 PolarHBondContact O-N 3.25Å; A463-F466 PolarHBondContact O-N 3.09Å; A463-E467 WeakPolarHBondContact O-CB 3Å; A463-E467 PolarHBondContact O-N 3.24Å; A463-F681 HydrophobicContact CB-CE2 4.34Å; A463-L686 HydrophobicContact CB-CD1 4.23Å; A463-L689 HydrophobicContact CB-CD2 4.15Å
464	T	95.7	Very high	92.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.7	-44.1	175.5	-55.8	0	0	0	0	112.2	L446 M451 L460 L461 F466 E467 Y468 V492 F681 W682	L446-T464 HydrophobicContact CD1-CG2 4.23Å; L446-T464 HydrophobicContact CD2-CG2 3.8Å; M451-T464 WeakPolarHBondContact CE-OG1 3.46Å; M451-T464 HydrophobicContact SD-CG2 4.19Å; L460-T464 PolarHBondContact O-N 2.82Å; L460-T464 PolarHBondContact O-OG1 2.74Å; L461-T464 PolarHBondContact O-N 2.98Å; T464-F466 VanDerWaalsContact C-N 3.3Å; T464-F466 PolarHBondContact O-N 3.18Å; T464-E467 PolarHBondContact O-N 3.43Å; T464-Y468 HydrophobicContact CG2-CD2 4.2Å; T464-Y468 PolarHBondContact O-N 2.85Å; T464-V492 HydrophobicContact CG2-CG1 4.22Å; T464-V492 HydrophobicContact CG2-CG2 4.41Å; T464-F681 HydrophobicContact CG2-CE1 4.47Å; T464-W682 HydrophobicContact CG2-CH2 3.65Å; T464-W682 HydrophobicContact CG2-CZ2 4Å
465	V	95.4	Very high	92.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-61.3	-40.9	177	169.2	0	0	0	0	110.8	L443 L446 L461 Q462 Q469 I470 L475	L443-V465 HydrophobicContact CB-CG2 3.98Å; L443-V465 HydrophobicContact CD1-CG2 3.93Å; L443-V465 HydrophobicContact CG-CG2 3.97Å; L446-V465 HydrophobicContact CD2-CG2 3.72Å; L461-V465 WeakPolarHBondContact O-CB 3.46Å; L461-V465 VanDerWaalsContact O-CG2 3.27Å; L461-V465 WeakPolarHBondContact O-CG2 3.35Å; L461-V465 PolarHBondContact O-N 3.26Å; Q462-V465 PolarHBondContact O-N 3.17Å; V465-Q469 CarbonylContact O-C 3.43Å; V465-Q469 WeakPolarHBondContact O-CA 3.39Å; V465-Q469 PolarHBondContact O-N 3.15Å; V465-I470 HydrophobicContact CB-CB 4.29Å; V465-I470 HydrophobicContact CG1-CB 3.98Å; V465-I470 WeakPolarHBondContact CG1-O 3.27Å; V465-I470 HydrophobicContact CG2-CB 4.24Å; V465-I470 HydrophobicContact CG2-CD1 4.09Å; V465-I470 PolarHBondContact O-N 2.85Å; V465-L475 HydrophobicContact CB-CD1 4.38Å; V465-L475 HydrophobicContact CG1-CD1 3.51Å; V465-L475 HydrophobicContact CG1-CG 4.08Å
466	F	95.3	Very high	92.8	Very high	147 Å²	147	47.7 Å²	47.7	65%	0.645	27%	0.265	S	S	*	.	H	α-helix	trans	-64.5	-49.6	175.5	176.9	-95.2	0	0	0	111.8	Q462 A463 T464 Y468 Q469 L475	Q462-F466 VanDerWaalsContact O-CB 3.3Å; Q462-F466 WeakPolarHBondContact O-CB 3.12Å; Q462-F466 PolarHBondContact O-N 3.41Å; A463-F466 PolarHBondContact O-N 3.09Å; T464-F466 VanDerWaalsContact C-N 3.3Å; T464-F466 PolarHBondContact O-N 3.18Å; F466-Y468 VanDerWaalsContact C-N 3.34Å; F466-Y468 PolarHBondContact O-N 2.66Å; F466-Q469 PolarHBondContact O-N 3.28Å; F466-L475 HydrophobicContact CB-CD1 4.27Å
467	E	95.8	Very high	92.6	Very high	27 Å²	27	49.5 Å²	49.5	13%	0.126	28%	0.276	C	S	.	.	H	α-helix	trans	-59.7	-43.5	-177.2	-172.5	71.9	178.9	0	0	112.1	A463 T464 H677 Y678 F681	A463-E467 WeakPolarHBondContact O-CB 3Å; A463-E467 PolarHBondContact O-N 3.24Å; T464-E467 PolarHBondContact O-N 3.43Å; E467-H677 IonicContact OE1-CD2 3.75Å; E467-H677 IonicContact OE1-CE1 2.85Å; E467-H677 PolarHBondContact OE1-CE1 3.14Å; E467-H677 IonicContact OE1-CG 3.84Å; E467-H677 IonicContact OE1-ND1 3.88Å; E467-H677 IonicContact OE1-NE2 2.81Å; E467-H677 PolarHBondContact OE1-NE2 3.1Å; E467-H677 VanDerWaalsContact OE1-NE2 3.07Å; E467-Y678 HydrophobicContact CG-CD1 4.17Å; E467-Y678 HydrophobicContact CG-CE1 4.31Å; E467-F681 HydrophobicContact CB-CD2 4.18Å; E467-F681 HydrophobicContact CB-CE1 4.45Å; E467-F681 HydrophobicContact CB-CE2 4.04Å; E467-F681 HydrophobicContact CB-CG 4.46Å; E467-F681 HydrophobicContact CB-CZ 4.18Å; E467-F681 HydrophobicContact CG-CB 4.22Å; E467-F681 HydrophobicContact CG-CD1 4.06Å; E467-F681 HydrophobicContact CG-CD2 3.84Å; E467-F681 HydrophobicContact CG-CE1 4.41Å; E467-F681 HydrophobicContact CG-CE2 4.21Å; E467-F681 HydrophobicContact CG-CG 3.77Å; E467-F681 HydrophobicContact CG-CZ 4.48Å
468	Y	95.7	Very high	92.3	Very high	15 Å²	15	50.1 Å²	50.1	6%	0.059	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	5.4	-179.3	-78.3	-94	0	0	0	113.8	T464 F466 I470 E491 V492 D495 Y678 F681 W682	T464-Y468 HydrophobicContact CG2-CD2 4.2Å; T464-Y468 PolarHBondContact O-N 2.85Å; F466-Y468 VanDerWaalsContact C-N 3.34Å; F466-Y468 PolarHBondContact O-N 2.66Å; Y468-I470 PolarHBondContact O-N 3.03Å; Y468-I470 VanDerWaalsContact O-N 3.13Å; Y468-E491 HydrophobicContact CD1-CB 3.96Å; Y468-E491 HydrophobicContact CE1-CB 3.97Å; Y468-V492 HydrophobicContact CD1-CB 4.41Å; Y468-V492 HydrophobicContact CD1-CG2 3.49Å; Y468-V492 VanDerWaalsContact CD1-CG2 3.49Å; Y468-V492 HydrophobicContact CD2-CG2 3.66Å; Y468-V492 HydrophobicContact CE1-CB 4.48Å; Y468-V492 HydrophobicContact CE1-CG2 3.98Å; Y468-V492 HydrophobicContact CE2-CG2 4.13Å; Y468-V492 HydrophobicContact CG-CG2 3.31Å; Y468-D495 WeakPolarHBondContact CE1-OD2 3.14Å; Y468-D495 WeakPolarHBondContact OH-CB 3.38Å; Y468-D495 PolarHBondContact OH-OD2 3.01Å; Y468-Y678 HydrophobicContact CD1-CD1 4.41Å; Y468-Y678 HydrophobicContact CD1-CE1 4.22Å; Y468-Y678 HydrophobicContact CD2-CD1 4.47Å; Y468-Y678 AromaticContact CE1-CD1 3.84Å; Y468-Y678 HydrophobicContact CE1-CD1 3.84Å; Y468-Y678 HydrophobicContact CE1-CE1 4.05Å; Y468-Y678 HydrophobicContact CE1-CG 4.45Å; Y468-Y678 AromaticContact CE2-CD1 3.91Å; Y468-Y678 HydrophobicContact CE2-CD1 3.91Å; Y468-Y678 HydrophobicContact CE2-CE1 4.46Å; Y468-Y678 HydrophobicContact CG-CE1 4.5Å; Y468-Y678 AromaticContact CZ-CD1 3.54Å; Y468-F681 HydrophobicContact CE2-CD1 4.38Å; Y468-F681 HydrophobicContact CE2-CE1 4.42Å; Y468-W682 AromaticContact CE2-CE2 3.94Å; Y468-W682 AromaticContact CE2-CZ2 3.7Å; Y468-W682 HydrophobicContact CE2-CZ2 3.7Å; Y468-W682 AromaticContact CE2-NE1 3.72Å; Y468-W682 AromaticContact CZ-NE1 3.66Å; Y468-W682 PolarHBondContact OH-NE1 3.05Å
469	Q	94.3	Very high	92.4	Very high	168 Å²	168	51.2 Å²	51.2	79%	0.785	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	38.7	-177.1	-56.3	178.7	9.2	0	0	112.5	V465 F466 P471	V465-Q469 CarbonylContact O-C 3.43Å; V465-Q469 WeakPolarHBondContact O-CA 3.39Å; V465-Q469 PolarHBondContact O-N 3.15Å; F466-Q469 PolarHBondContact O-N 3.28Å; Q469-P471 WeakPolarHBondContact O-CD 3.45Å
470	I	95.4	Very high	92.6	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.01	28%	0.281	C	S	.	.			trans	-67	124.1	179.4	-54.3	174.9	0	0	0	107.2	P442 L446 V465 Y468 S472 A488 V492	P442-I470 HydrophobicContact CB-CG2 3.67Å; L446-I470 HydrophobicContact CD1-CD1 4.4Å; L446-I470 HydrophobicContact CD2-CD1 4.02Å; V465-I470 HydrophobicContact CB-CB 4.29Å; V465-I470 HydrophobicContact CG1-CB 3.98Å; V465-I470 WeakPolarHBondContact CG1-O 3.27Å; V465-I470 HydrophobicContact CG2-CB 4.24Å; V465-I470 HydrophobicContact CG2-CD1 4.09Å; V465-I470 PolarHBondContact O-N 2.85Å; Y468-I470 PolarHBondContact O-N 3.03Å; Y468-I470 VanDerWaalsContact O-N 3.13Å; I470-S472 PolarHBondContact O-N 3.35Å; I470-A488 HydrophobicContact CB-CB 4.48Å; I470-A488 HydrophobicContact CG1-CB 3.97Å; I470-V492 HydrophobicContact CD1-CG2 3.77Å; I470-V492 HydrophobicContact CG1-CG2 4.45Å
471	P	94.7	Very high	92.6	Very high	16 Å²	16	51 Å²	51	10%	0.104	30%	0.301	C	S	.	.			trans	-56.5	126.7	177.8	-25.3	34	0	0	0	110.9	P442 Q469 T477 W480 E484	P442-P471 WeakPolarHBondContact CB-O 3.49Å; P442-P471 WeakPolarHBondContact CD-O 3.26Å; P442-P471 WeakPolarHBondContact CG-O 3.32Å; Q469-P471 WeakPolarHBondContact O-CD 3.45Å; P471-T477 HydrophobicContact CB-CG2 4.14Å; P471-W480 HydrophobicContact CB-CB 3.48Å; P471-W480 VanDerWaalsContact CB-CB 3.48Å; P471-W480 HydrophobicContact CB-CD2 3.9Å; P471-W480 HydrophobicContact CB-CE3 3.97Å; P471-W480 HydrophobicContact CB-CG 3.71Å; P471-W480 HydrophobicContact CG-CB 3.85Å; P471-W480 HydrophobicContact CG-CG 4.4Å; P471-E484 HydrophobicContact CG-CB 4.23Å
472	S	93.4	Very high	92.7	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.304	C	S	.	.			trans	-153.6	139.7	179.5	-179.4	0	0	0	0	111.4	D441 I470 A474 L475 T477	D441-S472 WeakPolarHBondContact OD1-CA 3.01Å; D441-S472 VanDerWaalsContact OD1-CB 3.26Å; D441-S472 WeakPolarHBondContact OD1-CB 3.45Å; D441-S472 PolarHBondContact OD1-OG 2.89Å; I470-S472 PolarHBondContact O-N 3.35Å; S472-A474 PolarHBondContact O-N 2.77Å; S472-A474 WeakPolarHBondContact OG-CB 3.41Å; S472-A474 PolarHBondContact OG-N 3.09Å; S472-L475 PolarHBondContact O-N 2.99Å; S472-L475 VanDerWaalsContact O-N 3.07Å; S472-T477 PolarHBondContact N-OG1 2.83Å; S472-T477 WeakPolarHBondContact O-CB 3.31Å; S472-T477 PolarHBondContact O-N 3.15Å; S472-T477 VanDerWaalsContact O-N 3.15Å; S472-T477 PolarHBondContact O-OG1 2.74Å
473	R	90.3	Very high	92.8	Very high	115 Å²	115	50.6 Å²	50.6	43%	0.434	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-59.5	-28.7	171.9	-69.4	164.4	-168.3	128.2	-5.4	111.5	H435 D441 L475 G476 W480	H435-R473 PolarHBondContact O-NH2 3.1Å; D441-R473 WeakPolarHBondContact OD2-CB 3.36Å; D441-R473 WeakPolarHBondContact OD2-CG 3.49Å; D441-R473 PolarHBondContact OD2-N 3.14Å; D441-R473 IonicContact OD2-NH1 2.67Å; R473-L475 PolarHBondContact O-N 3.03Å; R473-G476 PolarHBondContact O-N 2.76Å; R473-G476 VanDerWaalsContact O-N 3.11Å; R473-W480 HydrophobicContact CG-CH2 3.75Å; R473-W480 HydrophobicContact CG-CZ3 3.94Å
474	A	84.7	Confident	92.8	Very high	65 Å²	65	54 Å²	54	54%	0.537	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-64.7	-24.5	178.2	0	0	0	0	0	113.2	L443 S472	L443-A474 HydrophobicContact CD1-CB 4.19Å; S472-A474 PolarHBondContact O-N 2.77Å; S472-A474 WeakPolarHBondContact OG-CB 3.41Å; S472-A474 PolarHBondContact OG-N 3.09Å
475	L	87.5	Confident	92.8	Very high	79 Å²	79	54 Å²	54	41%	0.414	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-103.3	14.3	176	-61.1	-172.8	0	0	0	112.8	V465 F466 S472 R473 T477	V465-L475 HydrophobicContact CB-CD1 4.38Å; V465-L475 HydrophobicContact CG1-CD1 3.51Å; V465-L475 HydrophobicContact CG1-CG 4.08Å; F466-L475 HydrophobicContact CB-CD1 4.27Å; S472-L475 PolarHBondContact O-N 2.99Å; S472-L475 VanDerWaalsContact O-N 3.07Å; R473-L475 PolarHBondContact O-N 3.03Å; L475-T477 VanDerWaalsContact C-N 3.32Å; L475-T477 PolarHBondContact O-N 2.91Å
476	G	88.4	Confident	92.8	Very high	67 Å²	67	54 Å²	54	69%	0.691	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	12.5	178.7	0	0	0	0	0	114.6	R473 G478	R473-G476 PolarHBondContact O-N 2.76Å; R473-G476 VanDerWaalsContact O-N 3.11Å; G476-G478 PolarHBondContact O-N 2.96Å
477	T	88.4	Confident	92.8	Very high	49 Å²	49	52.5 Å²	52.5	30%	0.301	31%	0.307	S	S	.	.			trans	-70.7	118.9	174.9	-44.7	0	0	0	0	110.3	P471 S472 L475 S479 W480	P471-T477 HydrophobicContact CB-CG2 4.14Å; S472-T477 PolarHBondContact N-OG1 2.83Å; S472-T477 WeakPolarHBondContact O-CB 3.31Å; S472-T477 PolarHBondContact O-N 3.15Å; S472-T477 VanDerWaalsContact O-N 3.15Å; S472-T477 PolarHBondContact O-OG1 2.74Å; L475-T477 VanDerWaalsContact C-N 3.32Å; L475-T477 PolarHBondContact O-N 2.91Å; T477-S479 WeakPolarHBondContact CG2-O 3.2Å; T477-W480 HydrophobicContact CG2-CE3 4.19Å
478	G	84.1	Confident	92.8	Very high	60 Å²	60	51.8 Å²	51.8	62%	0.619	31%	0.306	S	S	*	.			trans	-87.2	-16.5	-174.5	0	0	0	0	0	115.9	H435 G476	H435-G478 PolarHBondContact CE1-O 3.41Å; H435-G478 PolarHBondContact NE2-O 2.04Å; G476-G478 PolarHBondContact O-N 2.96Å
479	S	92.5	Very high	92.8	Very high	85 Å²	85	51 Å²	51	59%	0.594	30%	0.303	S	S	*	.			trans	-162.5	155	177.2	-175.8	0	0	0	0	110.7	T477	T477-S479 WeakPolarHBondContact CG2-O 3.2Å
480	W	95.1	Very high	92.8	Very high	5 Å²	5	43.2 Å²	43.2	2%	0.019	27%	0.266	C	S	.	.			trans	-161	160.8	176.3	58.7	82.5	0	0	0	111.7	F433 H435 P442 P471 R473 T477 V485	F433-W480 VanDerWaalsContact O-CD1 3.22Å; F433-W480 PolarHBondContact O-NE1 3.35Å; H435-W480 HydrophobicContact CB-CD2 3.83Å; H435-W480 HydrophobicContact CB-CE3 4.28Å; H435-W480 HydrophobicContact CB-CG 4.1Å; H435-W480 HydrophobicContact CB-CZ2 4.26Å; H435-W480 WeakPolarHBondContact CB-O 3.49Å; H435-W480 PolarHBondContact N-O 2.82Å; H435-W480 VanDerWaalsContact N-O 3.16Å; H435-W480 AromaticContact ND1-CE3 3.75Å; H435-W480 AromaticContact ND1-CH2 3.51Å; H435-W480 AromaticContact ND1-CZ2 3.84Å; H435-W480 AromaticContact ND1-CZ3 3.45Å; H435-W480 WeakPolarHBondContact ND1-CZ3 3.46Å; P442-W480 VanDerWaalsContact CD-CZ2 3.49Å; P442-W480 HydrophobicContact CG-CD2 4.47Å; P442-W480 HydrophobicContact CG-CZ2 4.11Å; P471-W480 HydrophobicContact CB-CB 3.48Å; P471-W480 VanDerWaalsContact CB-CB 3.48Å; P471-W480 HydrophobicContact CB-CD2 3.9Å; P471-W480 HydrophobicContact CB-CE3 3.97Å; P471-W480 HydrophobicContact CB-CG 3.71Å; P471-W480 HydrophobicContact CG-CB 3.85Å; P471-W480 HydrophobicContact CG-CG 4.4Å; R473-W480 HydrophobicContact CG-CH2 3.75Å; R473-W480 HydrophobicContact CG-CZ3 3.94Å; T477-W480 HydrophobicContact CG2-CE3 4.19Å; W480-V485 VanDerWaalsContact CD1-CG2 3.47Å; W480-V485 HydrophobicContact CG-CG2 4.29Å
481	T	95.7	Very high	92.9	Very high	66 Å²	66	46.6 Å²	46.6	41%	0.405	28%	0.282	S	S	.	.			trans	-98.4	155.9	175.7	68.1	0	0	0	0	111.6	L483 E484 V485	T481-L483 PolarHBondContact O-N 2.78Å; T481-E484 WeakPolarHBondContact CB-OE2 3.11Å; T481-E484 PolarHBondContact N-OE2 3.3Å; T481-E484 PolarHBondContact O-N 3.32Å; T481-E484 VanDerWaalsContact OG1-CD 3.3Å; T481-E484 VanDerWaalsContact OG1-CG 3.29Å; T481-E484 WeakPolarHBondContact OG1-CG 3.35Å; T481-E484 PolarHBondContact OG1-N 3.12Å; T481-E484 PolarHBondContact OG1-OE2 3.32Å; T481-V485 PolarHBondContact O-N 3.04Å
482	S	95.3	Very high	92.9	Very high	11 Å²	11	45.9 Å²	45.9	8%	0.077	28%	0.277	C	S	.	.	H	α-helix	trans	-59.2	-33.5	172.4	-54.4	0	0	0	0	113.1	P430 R434 V485 V486	P430-S482 WeakPolarHBondContact O-CB 3.35Å; P430-S482 PolarHBondContact O-OG 2.78Å; R434-S482 PolarHBondContact N-OG 3.25Å; S482-V485 PolarHBondContact O-N 3.47Å; S482-V486 WeakPolarHBondContact O-CB 3.35Å; S482-V486 VanDerWaalsContact O-CG2 3.26Å; S482-V486 WeakPolarHBondContact O-CG2 3.48Å; S482-V486 PolarHBondContact O-N 3.02Å
483	L	95.7	Very high	92.9	Very high	62 Å²	62	45.9 Å²	45.9	33%	0.325	28%	0.277	S	S	.	.	H	α-helix	trans	-67.8	-39.6	-179.8	-178.7	61.9	0	0	0	111.8	I429 T481 V485 V486 K487 W534	I429-L483 HydrophobicContact CD1-CB 4.35Å; I429-L483 HydrophobicContact CD1-CD1 3.96Å; T481-L483 PolarHBondContact O-N 2.78Å; L483-V485 VanDerWaalsContact C-N 3.34Å; L483-V486 PolarHBondContact O-N 2.83Å; L483-K487 HydrophobicContact CD1-CD 4.33Å; L483-K487 HydrophobicContact CD1-CG 4.21Å; L483-K487 HydrophobicContact CG-CD 4.22Å; L483-K487 HydrophobicContact CG-CG 4.5Å; L483-K487 WeakPolarHBondContact O-CB 3.27Å; L483-K487 VanDerWaalsContact O-CG 3.32Å; L483-K487 WeakPolarHBondContact O-CG 3.35Å; L483-K487 PolarHBondContact O-N 2.66Å; L483-W534 HydrophobicContact CD1-CB 3.78Å
484	E	95.8	Very high	93.1	Very high	96 Å²	96	40.4 Å²	40.4	45%	0.449	26%	0.256	S	S	.	.	H	α-helix	trans	-61.6	-44.8	174.8	-72.8	160.4	145.3	0	0	110.8	P471 T481 K487 A488	P471-E484 HydrophobicContact CG-CB 4.23Å; T481-E484 WeakPolarHBondContact CB-OE2 3.11Å; T481-E484 PolarHBondContact N-OE2 3.3Å; T481-E484 PolarHBondContact O-N 3.32Å; T481-E484 VanDerWaalsContact OG1-CD 3.3Å; T481-E484 VanDerWaalsContact OG1-CG 3.29Å; T481-E484 WeakPolarHBondContact OG1-CG 3.35Å; T481-E484 PolarHBondContact OG1-N 3.12Å; T481-E484 PolarHBondContact OG1-OE2 3.32Å; E484-K487 PolarHBondContact O-N 2.67Å; E484-A488 WeakPolarHBondContact O-CB 3.5Å; E484-A488 PolarHBondContact O-N 3.12Å
485	V	95.5	Very high	93.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-60.9	-52.5	176.3	177.4	0	0	0	0	110.8	F433 P442 L445 W480 T481 S482 L483 K487 A488 L489	F433-V485 HydrophobicContact CB-CB 4.26Å; F433-V485 HydrophobicContact CB-CG1 4.19Å; F433-V485 HydrophobicContact CD2-CB 4.4Å; F433-V485 HydrophobicContact CD2-CG1 3.8Å; F433-V485 HydrophobicContact CE2-CG1 4.5Å; F433-V485 HydrophobicContact CG-CG1 4.19Å; P442-V485 HydrophobicContact CB-CG1 4.1Å; P442-V485 HydrophobicContact CB-CG2 4.16Å; P442-V485 HydrophobicContact CG-CG1 4.2Å; P442-V485 HydrophobicContact CG-CG2 3.55Å; L445-V485 HydrophobicContact CD1-CG1 3.9Å; W480-V485 VanDerWaalsContact CD1-CG2 3.47Å; W480-V485 HydrophobicContact CG-CG2 4.29Å; T481-V485 PolarHBondContact O-N 3.04Å; S482-V485 PolarHBondContact O-N 3.47Å; L483-V485 VanDerWaalsContact C-N 3.34Å; V485-K487 VanDerWaalsContact C-N 3.33Å; V485-K487 PolarHBondContact O-N 2.94Å; V485-A488 PolarHBondContact O-N 2.92Å; V485-L489 HydrophobicContact CG1-CD1 3.8Å; V485-L489 HydrophobicContact CG1-CG 4.19Å; V485-L489 WeakPolarHBondContact O-CB 3.4Å; V485-L489 VanDerWaalsContact O-CG 3.27Å; V485-L489 WeakPolarHBondContact O-CG 3.22Å; V485-L489 PolarHBondContact O-N 2.75Å
486	V	95.4	Very high	93.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-59	-43.1	-178.9	167.9	0	0	0	0	111.8	M409 L412 F420 F433 S482 L483 N490 W534	M409-V486 HydrophobicContact CE-CG1 3.79Å; M409-V486 HydrophobicContact SD-CG1 4.08Å; L412-V486 HydrophobicContact CD2-CG1 4.17Å; F420-V486 HydrophobicContact CE1-CG1 4.27Å; F420-V486 HydrophobicContact CE1-CG2 3.87Å; F420-V486 HydrophobicContact CZ-CG1 4.5Å; F420-V486 HydrophobicContact CZ-CG2 3.91Å; F433-V486 HydrophobicContact CD2-CG2 3.95Å; F433-V486 HydrophobicContact CE2-CG2 4.28Å; S482-V486 WeakPolarHBondContact O-CB 3.35Å; S482-V486 VanDerWaalsContact O-CG2 3.26Å; S482-V486 WeakPolarHBondContact O-CG2 3.48Å; S482-V486 PolarHBondContact O-N 3.02Å; L483-V486 PolarHBondContact O-N 2.83Å; V486-N490 WeakPolarHBondContact O-CB 3.4Å; V486-N490 PolarHBondContact O-N 2.73Å; V486-W534 HydrophobicContact CG1-CE3 4Å; V486-W534 HydrophobicContact CG1-CZ3 4.21Å
487	K	96.1	Very high	94.1	Very high	114 Å²	114	32 Å²	32	50%	0.496	19%	0.185	S	C	.	.	H	α-helix	trans	-63.1	-46.6	177.2	-77.5	179.5	174.6	-177.3	0	112	L483 E484 V485 N490 E491	L483-K487 HydrophobicContact CD1-CD 4.33Å; L483-K487 HydrophobicContact CD1-CG 4.21Å; L483-K487 HydrophobicContact CG-CD 4.22Å; L483-K487 HydrophobicContact CG-CG 4.5Å; L483-K487 WeakPolarHBondContact O-CB 3.27Å; L483-K487 VanDerWaalsContact O-CG 3.32Å; L483-K487 WeakPolarHBondContact O-CG 3.35Å; L483-K487 PolarHBondContact O-N 2.66Å; E484-K487 PolarHBondContact O-N 2.67Å; V485-K487 VanDerWaalsContact C-N 3.33Å; V485-K487 PolarHBondContact O-N 2.94Å; K487-N490 WeakPolarHBondContact O-CB 3.4Å; K487-N490 PolarHBondContact O-N 2.99Å; K487-E491 PolarHBondContact O-N 2.86Å
488	A	95.9	Very high	94.4	Very high	12 Å²	12	29.6 Å²	29.6	10%	0.099	17%	0.17	C	C	.	.	H	α-helix	trans	-65.4	-41.8	-178.8	0	0	0	0	0	111.5	I470 E484 V485 E491 V492	I470-A488 HydrophobicContact CB-CB 4.48Å; I470-A488 HydrophobicContact CG1-CB 3.97Å; E484-A488 WeakPolarHBondContact O-CB 3.5Å; E484-A488 PolarHBondContact O-N 3.12Å; V485-A488 PolarHBondContact O-N 2.92Å; A488-E491 PolarHBondContact O-N 2.83Å; A488-V492 VanDerWaalsContact O-CG2 3.29Å; A488-V492 WeakPolarHBondContact O-CG2 3.35Å; A488-V492 PolarHBondContact O-N 3Å
489	L	94.3	Very high	94.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-64.7	-38.4	175.2	-65	-178.6	0	0	0	112.4	L412 F433 L445 L446 I450 V485 G493	L412-L489 HydrophobicContact CD1-CB 4.25Å; L412-L489 HydrophobicContact CD2-CB 4.15Å; F433-L489 HydrophobicContact CE2-CD1 4.4Å; L445-L489 HydrophobicContact CB-CD1 4.14Å; L445-L489 HydrophobicContact CD1-CD1 4.14Å; L446-L489 HydrophobicContact CB-CD2 4.42Å; I450-L489 HydrophobicContact CD1-CB 3.74Å; I450-L489 HydrophobicContact CD1-CD1 4.49Å; I450-L489 HydrophobicContact CD1-CD2 3.63Å; I450-L489 HydrophobicContact CD1-CG 4.11Å; V485-L489 HydrophobicContact CG1-CD1 3.8Å; V485-L489 HydrophobicContact CG1-CG 4.19Å; V485-L489 WeakPolarHBondContact O-CB 3.4Å; V485-L489 VanDerWaalsContact O-CG 3.27Å; V485-L489 WeakPolarHBondContact O-CG 3.22Å; V485-L489 PolarHBondContact O-N 2.75Å; L489-G493 PolarHBondContact O-N 3.07Å
490	N	95.4	Very high	95.1	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.021	12%	0.119	C	C	.	.	H	α-helix	trans	-62	-43.7	172.3	165.7	60.4	0	0	0	112.1	D406 G408 M409 V486 K487 G494	D406-N490 PolarHBondContact OD1-ND2 3.49Å; G408-N490 WeakPolarHBondContact CA-OD1 3.02Å; G408-N490 PolarHBondContact N-OD1 3.42Å; M409-N490 HydrophobicContact CE-CB 3.67Å; M409-N490 PolarHBondContact N-OD1 3.26Å; V486-N490 WeakPolarHBondContact O-CB 3.4Å; V486-N490 PolarHBondContact O-N 2.73Å; K487-N490 WeakPolarHBondContact O-CB 3.4Å; K487-N490 PolarHBondContact O-N 2.99Å; N490-G494 PolarHBondContact O-N 3Å
491	E	96.3	Very high	95.2	Very high	73 Å²	73	24.3 Å²	24.3	34%	0.341	12%	0.122	S	C	.	.	H	α-helix	trans	-64.6	-48.2	178.1	-73.4	-157.4	-168.1	0	0	112	Y468 K487 A488 D495 R675	Y468-E491 HydrophobicContact CD1-CB 3.96Å; Y468-E491 HydrophobicContact CE1-CB 3.97Å; K487-E491 PolarHBondContact O-N 2.86Å; A488-E491 PolarHBondContact O-N 2.83Å; E491-D495 WeakPolarHBondContact O-CB 3.38Å; E491-D495 PolarHBondContact O-N 3.22Å; E491-R675 IonicContact OE2-CZ 2.82Å; E491-R675 IonicContact OE2-NH1 2.82Å; E491-R675 PolarHBondContact OE2-NH1 3.23Å; E491-R675 IonicContact OE2-NH2 3.85Å; E491-R675 PolarHBondContact OE2-NH2 3.34Å
492	V	95.4	Very high	95.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-58.5	-51.4	176.3	172.6	0	0	0	0	110.6	L446 I450 T464 Y468 I470 A488 D495 Y496 W682	L446-V492 HydrophobicContact CD1-CG1 3.67Å; I450-V492 HydrophobicContact CG2-CG1 3.89Å; T464-V492 HydrophobicContact CG2-CG1 4.22Å; T464-V492 HydrophobicContact CG2-CG2 4.41Å; Y468-V492 HydrophobicContact CD1-CB 4.41Å; Y468-V492 HydrophobicContact CD1-CG2 3.49Å; Y468-V492 VanDerWaalsContact CD1-CG2 3.49Å; Y468-V492 HydrophobicContact CD2-CG2 3.66Å; Y468-V492 HydrophobicContact CE1-CB 4.48Å; Y468-V492 HydrophobicContact CE1-CG2 3.98Å; Y468-V492 HydrophobicContact CE2-CG2 4.13Å; Y468-V492 HydrophobicContact CG-CG2 3.31Å; I470-V492 HydrophobicContact CD1-CG2 3.77Å; I470-V492 HydrophobicContact CG1-CG2 4.45Å; A488-V492 VanDerWaalsContact O-CG2 3.29Å; A488-V492 WeakPolarHBondContact O-CG2 3.35Å; A488-V492 PolarHBondContact O-N 3Å; V492-D495 PolarHBondContact O-N 2.9Å; V492-Y496 VanDerWaalsContact O-CB 3.31Å; V492-Y496 WeakPolarHBondContact O-CB 3.28Å; V492-Y496 PolarHBondContact O-N 3.45Å; V492-W682 HydrophobicContact CG1-CH2 4.2Å; V492-W682 HydrophobicContact CG1-CZ2 3.93Å
493	G	93	Very high	95.2	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-62.5	-46.5	-177.4	0	0	0	0	0	112.2	Y366 L489 N497	Y366-G493 VanDerWaalsContact CE1-CA 3.42Å; L489-G493 PolarHBondContact O-N 3.07Å; G493-N497 VanDerWaalsContact O-CB 3.26Å; G493-N497 WeakPolarHBondContact O-CB 3.13Å; G493-N497 PolarHBondContact O-N 3.46Å; G493-N497 VanDerWaalsContact O-N 3.09Å; G493-N497 PolarHBondContact O-ND2 3.11Å
494	G	95	Very high	95.1	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-67.5	-41	179.4	0	0	0	0	0	113.1	N490 I498 K499	N490-G494 PolarHBondContact O-N 3Å; G494-I498 PolarHBondContact O-N 3.36Å; G494-K499 PolarHBondContact O-N 2.81Å
495	D	96.2	Very high	95.1	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.076	C	C	.	.	I	π-helix	trans	-67.6	-51	179.3	-75.3	-3	0	0	0	111.8	Y468 E491 V492 K499 C500 R675 Y678	Y468-D495 WeakPolarHBondContact CE1-OD2 3.14Å; Y468-D495 WeakPolarHBondContact OH-CB 3.38Å; Y468-D495 PolarHBondContact OH-OD2 3.01Å; E491-D495 WeakPolarHBondContact O-CB 3.38Å; E491-D495 PolarHBondContact O-N 3.22Å; V492-D495 PolarHBondContact O-N 2.9Å; D495-K499 WeakPolarHBondContact OD1-CD 3.38Å; D495-K499 IonicContact OD1-NZ 2.76Å; D495-C500 WeakPolarHBondContact O-CB 3.06Å; D495-C500 PolarHBondContact O-N 3.11Å; D495-C500 PolarHBondContact O-SG 3.16Å; D495-C500 VanDerWaalsContact O-SG 3.42Å; D495-R675 IonicContact OD1-CZ 3.49Å; D495-R675 IonicContact OD1-NE 3.77Å; D495-R675 PolarHBondContact OD1-NE 3.41Å; D495-R675 VanDerWaalsContact OD1-NE 3.12Å; D495-R675 IonicContact OD1-NH2 3.26Å; D495-R675 IonicContact OD2-CZ 2.81Å; D495-R675 IonicContact OD2-NE 3.61Å; D495-R675 PolarHBondContact OD2-NE 2.91Å; D495-R675 IonicContact OD2-NH2 3.22Å; D495-R675 PolarHBondContact OD2-NH2 3.33Å; D495-Y678 WeakPolarHBondContact OD2-CB 3.41Å
496	Y	92.9	Very high	95	Very high	33 Å²	33	16 Å²	16	13%	0.129	8%	0.076	C	C	.	.	I	π-helix	trans	-64.3	-43.8	-177.7	178.4	-113.7	0	0	0	112	W277 D452 F455 V492 P501 W682	W277-Y496 AromaticContact CD1-CE1 3.96Å; W277-Y496 AromaticContact NE1-CE1 3.94Å; D452-Y496 HydrophobicContact CB-CE1 4.39Å; D452-Y496 WeakPolarHBondContact CB-OH 3.41Å; F455-Y496 HydrophobicContact CE2-CE2 4.03Å; V492-Y496 VanDerWaalsContact O-CB 3.31Å; V492-Y496 WeakPolarHBondContact O-CB 3.28Å; V492-Y496 PolarHBondContact O-N 3.45Å; Y496-P501 WeakPolarHBondContact O-CD 3.32Å; Y496-P501 WeakPolarHBondContact O-CG 3.42Å; Y496-W682 AromaticContact CD2-CD2 3.69Å; Y496-W682 HydrophobicContact CD2-CD2 3.69Å; Y496-W682 AromaticContact CD2-CE3 3.4Å; Y496-W682 HydrophobicContact CD2-CE3 3.4Å; Y496-W682 VanDerWaalsContact CD2-CE3 3.4Å; Y496-W682 HydrophobicContact CD2-CG 4.24Å; Y496-W682 HydrophobicContact CD2-CH2 4.39Å; Y496-W682 AromaticContact CD2-CZ3 3.77Å; Y496-W682 HydrophobicContact CD2-CZ3 3.77Å; Y496-W682 AromaticContact CE2-CE3 3.97Å; Y496-W682 HydrophobicContact CE2-CE3 3.97Å; Y496-W682 HydrophobicContact CE2-CZ3 4.28Å; Y496-W682 HydrophobicContact CG-CD2 4.36Å; Y496-W682 HydrophobicContact CG-CE3 4.24Å; Y496-W682 HydrophobicContact CG-CH2 4.49Å; Y496-W682 HydrophobicContact CG-CZ3 4.29Å
497	N	91.3	Very high	94.8	Very high	1 Å²	1	16 Å²	16	1%	0.005	8%	0.076	C	C	.	.	I	π-helix	trans	-90.3	-27.2	-170.4	-63.3	-79	0	0	0	113.8	W277 W278 Y366 F367 G493	W277-N497 PolarHBondContact NE1-OD1 3.13Å; W278-N497 PolarHBondContact NE1-O 3.32Å; Y366-N497 WeakPolarHBondContact CD1-ND2 3.41Å; Y366-N497 VanDerWaalsContact CE1-ND2 3.31Å; Y366-N497 WeakPolarHBondContact CE1-ND2 3.31Å; F367-N497 HydrophobicContact CD1-CB 4.31Å; F367-N497 HydrophobicContact CD2-CB 3.82Å; F367-N497 HydrophobicContact CE1-CB 4.32Å; F367-N497 HydrophobicContact CE2-CB 3.82Å; F367-N497 HydrophobicContact CG-CB 4.05Å; F367-N497 HydrophobicContact CZ-CB 4.06Å; G493-N497 VanDerWaalsContact O-CB 3.26Å; G493-N497 WeakPolarHBondContact O-CB 3.13Å; G493-N497 PolarHBondContact O-N 3.46Å; G493-N497 VanDerWaalsContact O-N 3.09Å; G493-N497 PolarHBondContact O-ND2 3.11Å
498	I	94.5	Very high	94.5	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.063	C	C	.	.	I	π-helix	trans	-126.5	-62.9	-174.8	-60.4	-172.6	0	0	0	111.8	W278 F367 V403 E407 G494 C500 P501 V502	W278-I498 HydrophobicContact CZ2-CG1 4.27Å; F367-I498 HydrophobicContact CE1-CD1 3.77Å; F367-I498 HydrophobicContact CE1-CG1 3.97Å; F367-I498 HydrophobicContact CZ-CD1 3.61Å; F367-I498 HydrophobicContact CZ-CG1 3.88Å; V403-I498 HydrophobicContact CG1-CG2 4.31Å; E407-I498 HydrophobicContact CB-CB 4.12Å; E407-I498 HydrophobicContact CB-CD1 4.02Å; E407-I498 HydrophobicContact CB-CG1 4.47Å; E407-I498 HydrophobicContact CB-CG2 4.44Å; E407-I498 HydrophobicContact CG-CB 4.07Å; E407-I498 HydrophobicContact CG-CD1 4.33Å; E407-I498 HydrophobicContact CG-CG2 3.87Å; E407-I498 WeakPolarHBondContact OE2-CD1 3.48Å; G494-I498 PolarHBondContact O-N 3.36Å; I498-C500 PolarHBondContact O-N 3.38Å; I498-P501 WeakPolarHBondContact O-CD 3.5Å; I498-V502 HydrophobicContact CG2-CG2 4.27Å; I498-V502 WeakPolarHBondContact O-CB 3.36Å; I498-V502 WeakPolarHBondContact O-CG2 3.41Å; I498-V502 PolarHBondContact O-N 3.21Å
499	K	96.6	Very high	94.3	Very high	16 Å²	16	12.5 Å²	12.5	7%	0.07	6%	0.058	C	C	.	.	I	π-helix	trans	-65.4	-43	-165	-53.6	-175.8	-168.9	158.8	0	112.6	V403 N404 K405 E407 G494 D495 V502 V503 R675	V403-K499 HydrophobicContact CB-CG 4.09Å; V403-K499 HydrophobicContact CG1-CB 4.26Å; V403-K499 HydrophobicContact CG1-CG 4.02Å; V403-K499 HydrophobicContact CG2-CD 4.31Å; V403-K499 HydrophobicContact CG2-CG 4.18Å; N404-K499 WeakPolarHBondContact O-CE 3.49Å; K405-K499 WeakPolarHBondContact O-CE 3.36Å; K405-K499 PolarHBondContact O-NZ 3.32Å; E407-K499 HydrophobicContact CG-CG 3.97Å; G494-K499 PolarHBondContact O-N 2.81Å; D495-K499 WeakPolarHBondContact OD1-CD 3.38Å; D495-K499 IonicContact OD1-NZ 2.76Å; K499-V502 PolarHBondContact O-N 3.35Å; K499-V503 VanDerWaalsContact O-CG2 3.31Å; K499-V503 WeakPolarHBondContact O-CG2 3.35Å; K499-V503 PolarHBondContact O-N 3.13Å; K499-R675 HydrophobicContact CD-CG 4.11Å
500	C	96.6	Very high	94.1	Very high	9 Å²	9	13.6 Å²	13.6	6%	0.061	7%	0.066	C	C	.	.	H	α-helix	trans	-72.8	-42.1	-178.9	-63.5	0	0	0	0	113.7	D495 I498 V502 V503 E504 C679	D495-C500 WeakPolarHBondContact O-CB 3.06Å; D495-C500 PolarHBondContact O-N 3.11Å; D495-C500 PolarHBondContact O-SG 3.16Å; D495-C500 VanDerWaalsContact O-SG 3.42Å; I498-C500 PolarHBondContact O-N 3.38Å; C500-V502 VanDerWaalsContact C-N 3.26Å; C500-V502 PolarHBondContact O-N 3Å; C500-V503 PolarHBondContact O-N 3.14Å; C500-E504 VanDerWaalsContact O-CB 3.28Å; C500-E504 WeakPolarHBondContact O-CB 3.38Å; C500-E504 PolarHBondContact O-N 3.09Å; C500-C679 WeakPolarHBondContact CA-SG 3.33Å; C500-C679 HydrophobicContact CB-CB 3.69Å; C500-C679 WeakPolarHBondContact CB-SG 3.39Å; C500-C679 WeakPolarHBondContact SG-CA 3.38Å; C500-C679 WeakPolarHBondContact SG-CB 3.29Å; C500-C679 CovalentContact SG-SG 2.06Å; C500-C679 PolarHBondContact SG-SG 3.37Å
501	P	95.3	Very high	93.7	Very high	13 Å²	13	21.3 Å²	21.3	8%	0.084	10%	0.095	C	C	.	.	H	α-helix	trans	-58.2	-34.6	168.8	-28.7	35.8	0	0	0	114.1	S273 A276 Y496 I498 F505	S273-P501 VanDerWaalsContact CB-O 3.27Å; S273-P501 WeakPolarHBondContact CB-O 3.35Å; S273-P501 PolarHBondContact OG-O 3.2Å; A276-P501 HydrophobicContact CB-CB 4.02Å; A276-P501 HydrophobicContact CB-CG 4.23Å; Y496-P501 WeakPolarHBondContact O-CD 3.32Å; Y496-P501 WeakPolarHBondContact O-CG 3.42Å; I498-P501 WeakPolarHBondContact O-CD 3.5Å; P501-F505 WeakPolarHBondContact O-CB 3.45Å; P501-F505 PolarHBondContact O-N 3.1Å
502	V	96.7	Very high	93.1	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-68	-47.8	174.5	170	0	0	0	0	111	L401 V403 I498 K499 C500 E504 F505 A506 L519	L401-V502 HydrophobicContact CB-CG1 4.28Å; L401-V502 HydrophobicContact CD1-CG1 3.69Å; L401-V502 WeakPolarHBondContact CD1-O 3.35Å; L401-V502 HydrophobicContact CG-CG1 4.44Å; V403-V502 HydrophobicContact CG1-CB 4.08Å; V403-V502 HydrophobicContact CG1-CG1 3.95Å; V403-V502 HydrophobicContact CG1-CG2 4.2Å; I498-V502 HydrophobicContact CG2-CG2 4.27Å; I498-V502 WeakPolarHBondContact O-CB 3.36Å; I498-V502 WeakPolarHBondContact O-CG2 3.41Å; I498-V502 PolarHBondContact O-N 3.21Å; K499-V502 PolarHBondContact O-N 3.35Å; C500-V502 VanDerWaalsContact C-N 3.26Å; C500-V502 PolarHBondContact O-N 3Å; V502-E504 VanDerWaalsContact C-N 3.32Å; V502-E504 PolarHBondContact O-N 3.23Å; V502-F505 PolarHBondContact O-N 3.28Å; V502-A506 PolarHBondContact O-N 3.21Å; V502-L519 HydrophobicContact CG1-CD1 4.15Å
503	V	95.6	Very high	92.2	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.012	12%	0.123	C	C	.	.	H	α-helix	trans	-63.6	-38	176.8	170.4	0	0	0	0	111.4	K499 C500 A506 D507 L674	K499-V503 VanDerWaalsContact O-CG2 3.31Å; K499-V503 WeakPolarHBondContact O-CG2 3.35Å; K499-V503 PolarHBondContact O-N 3.13Å; C500-V503 PolarHBondContact O-N 3.14Å; V503-A506 WeakPolarHBondContact O-CB 3.1Å; V503-A506 PolarHBondContact O-N 3.25Å; V503-D507 WeakPolarHBondContact O-CB 3.4Å; V503-D507 PolarHBondContact O-N 2.92Å; V503-L674 HydrophobicContact CG2-CB 4.48Å; V503-L674 HydrophobicContact CG2-CD2 4.13Å; V503-L674 HydrophobicContact CG2-CG 4.4Å
504	E	93.8	Very high	91.5	Very high	59 Å²	59	30.5 Å²	30.5	28%	0.276	16%	0.156	S	C	.	.	H	α-helix	trans	-64.7	-43.4	175.8	-175.3	179.6	-170.9	0	0	111.7	L275 C500 V502 A506 D507 F508	L275-E504 HydrophobicContact CD1-CB 4.24Å; L275-E504 HydrophobicContact CD1-CG 3.76Å; C500-E504 VanDerWaalsContact O-CB 3.28Å; C500-E504 WeakPolarHBondContact O-CB 3.38Å; C500-E504 PolarHBondContact O-N 3.09Å; V502-E504 VanDerWaalsContact C-N 3.32Å; V502-E504 PolarHBondContact O-N 3.23Å; E504-A506 VanDerWaalsContact C-N 3.34Å; E504-A506 PolarHBondContact O-N 2.83Å; E504-D507 WeakPolarHBondContact O-CB 3.37Å; E504-D507 PolarHBondContact O-N 3.02Å; E504-F508 WeakPolarHBondContact O-CB 3.33Å; E504-F508 PolarHBondContact O-N 3.27Å
505	F	94.4	Very high	90.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64.6	-39.7	174.9	-171.2	-109.4	0	0	0	111.5	L255 L269 S273 P274 L275 L388 I399 L401 P501 V502 F508 Y509	L255-F505 HydrophobicContact CD1-CE1 4.24Å; L255-F505 HydrophobicContact CD1-CZ 4.11Å; L269-F505 HydrophobicContact CD2-CD1 3.98Å; L269-F505 HydrophobicContact CD2-CE1 3.67Å; S273-F505 WeakPolarHBondContact OG-CB 3.49Å; P274-F505 HydrophobicContact CG-CD2 3.81Å; P274-F505 HydrophobicContact CG-CE2 3.57Å; P274-F505 HydrophobicContact CG-CZ 4.13Å; L275-F505 HydrophobicContact CD1-CB 4.18Å; L275-F505 HydrophobicContact CD1-CD2 4.32Å; L275-F505 HydrophobicContact CG-CD2 4.46Å; L388-F505 HydrophobicContact CD1-CD2 3.99Å; L388-F505 HydrophobicContact CD1-CE2 3.93Å; L388-F505 HydrophobicContact CD2-CE2 4.06Å; I399-F505 HydrophobicContact CD1-CD1 4.29Å; I399-F505 HydrophobicContact CD1-CE1 3.87Å; L401-F505 HydrophobicContact CD1-CD1 4.49Å; P501-F505 WeakPolarHBondContact O-CB 3.45Å; P501-F505 PolarHBondContact O-N 3.1Å; V502-F505 PolarHBondContact O-N 3.28Å; F505-F508 PolarHBondContact O-N 2.97Å; F505-Y509 HydrophobicContact CE1-CD2 4.15Å; F505-Y509 HydrophobicContact CE2-CD2 4.37Å; F505-Y509 AromaticContact CZ-CD2 3.8Å; F505-Y509 HydrophobicContact CZ-CD2 3.8Å; F505-Y509 HydrophobicContact CZ-CE2 4.3Å; F505-Y509 WeakPolarHBondContact O-CB 3.44Å; F505-Y509 PolarHBondContact O-N 2.88Å
506	A	94.5	Very high	90.6	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-59.1	-47.2	172	0	0	0	0	0	111.8	L401 V502 V503 E504 F508 Y509 S510 V517 Y605	L401-A506 HydrophobicContact CD1-CB 3.63Å; V502-A506 PolarHBondContact O-N 3.21Å; V503-A506 WeakPolarHBondContact O-CB 3.1Å; V503-A506 PolarHBondContact O-N 3.25Å; E504-A506 VanDerWaalsContact C-N 3.34Å; E504-A506 PolarHBondContact O-N 2.83Å; A506-F508 VanDerWaalsContact C-N 3.34Å; A506-F508 PolarHBondContact O-N 3.41Å; A506-Y509 PolarHBondContact O-N 3.48Å; A506-S510 VanDerWaalsContact O-CB 3.22Å; A506-S510 WeakPolarHBondContact O-CB 3.27Å; A506-S510 PolarHBondContact O-N 3.45Å; A506-S510 PolarHBondContact O-OG 3.15Å; A506-S510 VanDerWaalsContact O-OG 3.05Å; A506-V517 HydrophobicContact CB-CG1 4.31Å; A506-Y605 HydrophobicContact CB-CD1 4.06Å; A506-Y605 HydrophobicContact CB-CE1 3.64Å; A506-Y605 HydrophobicContact CB-CE2 4.4Å
507	D	91.9	Very high	90.7	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-58	-46.8	178.4	-83.6	-15.1	0	0	0	111	V503 E504 S510 R511 Y605 T607 R658 R683	V503-D507 WeakPolarHBondContact O-CB 3.4Å; V503-D507 PolarHBondContact O-N 2.92Å; E504-D507 WeakPolarHBondContact O-CB 3.37Å; E504-D507 PolarHBondContact O-N 3.02Å; D507-S510 PolarHBondContact O-OG 3.39Å; D507-R511 WeakPolarHBondContact O-CG 3.31Å; D507-R511 PolarHBondContact O-NE 3.15Å; D507-Y605 PolarHBondContact OD1-OH 2.92Å; D507-T607 HydrophobicContact CB-CG2 4.22Å; D507-T607 WeakPolarHBondContact OD1-CG2 3.46Å; D507-R658 IonicContact OD1-CZ 3.88Å; D507-R658 IonicContact OD1-NE 2.67Å; D507-R658 IonicContact OD1-NH1 3.2Å; D507-R658 PolarHBondContact OD1-NH1 2.86Å; D507-R658 IonicContact OD1-NH2 2.9Å; D507-R658 PolarHBondContact OD1-NH2 3.44Å; D507-R658 IonicContact OD2-CZ 2.91Å; D507-R658 IonicContact OD2-NH1 2.9Å; D507-R658 PolarHBondContact OD2-NH1 3.16Å; D507-R658 IonicContact OD2-NH2 2.89Å; D507-R658 PolarHBondContact OD2-NH2 2.63Å; D507-R683 IonicContact OD2-CZ 3.75Å; D507-R683 IonicContact OD2-NH1 2.68Å; D507-R683 PolarHBondContact OD2-NH1 2.6Å
508	F	89.5	Confident	90.9	Very high	48 Å²	48	32.8 Å²	32.8	21%	0.211	17%	0.169	C	C	.	.	H	α-helix	trans	-65.2	-53.5	178.6	177.7	-87.9	0	0	0	111.1	L388 I395 E504 F505 A506 S510 R511	L388-F508 VanDerWaalsContact C-CE2 3.48Å; L388-F508 HydrophobicContact CB-CD1 3.99Å; L388-F508 HydrophobicContact CB-CD2 4.18Å; L388-F508 HydrophobicContact CB-CE1 3.62Å; L388-F508 HydrophobicContact CB-CE2 3.81Å; L388-F508 HydrophobicContact CB-CG 4.29Å; L388-F508 HydrophobicContact CB-CZ 3.56Å; L388-F508 HydrophobicContact CD1-CD1 4.43Å; L388-F508 HydrophobicContact CD2-CD1 3.56Å; L388-F508 HydrophobicContact CD2-CE1 3.26Å; L388-F508 HydrophobicContact CD2-CZ 4.07Å; L388-F508 HydrophobicContact CG-CD1 4.17Å; L388-F508 HydrophobicContact CG-CE1 3.96Å; L388-F508 HydrophobicContact CG-CZ 4.39Å; L388-F508 WeakPolarHBondContact O-CE2 3.14Å; L388-F508 WeakPolarHBondContact O-CZ 3.42Å; I395-F508 HydrophobicContact CD1-CE1 3.85Å; I395-F508 HydrophobicContact CD1-CZ 4.47Å; E504-F508 WeakPolarHBondContact O-CB 3.33Å; E504-F508 PolarHBondContact O-N 3.27Å; F505-F508 PolarHBondContact O-N 2.97Å; A506-F508 VanDerWaalsContact C-N 3.34Å; A506-F508 PolarHBondContact O-N 3.41Å; F508-S510 VanDerWaalsContact C-N 3.3Å; F508-S510 PolarHBondContact O-N 3.35Å; F508-R511 WeakPolarHBondContact O-CB 2.99Å; F508-R511 PolarHBondContact O-N 3.07Å; F508-R511 VanDerWaalsContact O-N 3.15Å
509	Y	90.9	Very high	91.1	Very high	3 Å²	3	32.9 Å²	32.9	1%	0.012	17%	0.169	C	C	.	.	H	α-helix	trans	-65.8	-34.8	-171.7	-154.4	-82.4	0	0	0	111.9	I395 H397 I399 F505 A506 R511 G512 A515 V517	I395-Y509 HydrophobicContact CG2-CD1 3.81Å; I395-Y509 HydrophobicContact CG2-CD2 4.39Å; I395-Y509 HydrophobicContact CG2-CE1 3.42Å; I395-Y509 VanDerWaalsContact CG2-CE1 3.42Å; I395-Y509 HydrophobicContact CG2-CE2 4.03Å; I395-Y509 HydrophobicContact CG2-CG 4.28Å; H397-Y509 VanDerWaalsContact CB-OH 3.32Å; H397-Y509 WeakPolarHBondContact CB-OH 3.18Å; H397-Y509 PolarHBondContact N-OH 3.06Å; H397-Y509 WeakPolarHBondContact O-CE1 3.41Å; H397-Y509 PolarHBondContact O-OH 3.22Å; I399-Y509 HydrophobicContact CB-CE1 4.46Å; I399-Y509 HydrophobicContact CD1-CD1 3.39Å; I399-Y509 HydrophobicContact CD1-CD2 3.82Å; I399-Y509 HydrophobicContact CD1-CE1 3.84Å; I399-Y509 HydrophobicContact CD1-CE2 4.25Å; I399-Y509 HydrophobicContact CD1-CG 3.36Å; I399-Y509 HydrophobicContact CG1-CD1 3.71Å; I399-Y509 HydrophobicContact CG1-CE1 3.83Å; I399-Y509 HydrophobicContact CG1-CG 4.21Å; I399-Y509 HydrophobicContact CG2-CE1 3.87Å; I399-Y509 HydrophobicContact CG2-CE2 4.29Å; F505-Y509 HydrophobicContact CE1-CD2 4.15Å; F505-Y509 HydrophobicContact CE2-CD2 4.37Å; F505-Y509 AromaticContact CZ-CD2 3.8Å; F505-Y509 HydrophobicContact CZ-CD2 3.8Å; F505-Y509 HydrophobicContact CZ-CE2 4.3Å; F505-Y509 WeakPolarHBondContact O-CB 3.44Å; F505-Y509 PolarHBondContact O-N 2.88Å; A506-Y509 PolarHBondContact O-N 3.48Å; Y509-R511 PolarHBondContact O-N 3.14Å; Y509-R511 VanDerWaalsContact O-N 3.15Å; Y509-G512 PolarHBondContact O-N 3.13Å; Y509-G512 VanDerWaalsContact O-N 3.14Å; Y509-A515 HydrophobicContact CD1-CB 4.21Å; Y509-A515 WeakPolarHBondContact O-CB 3.43Å; Y509-V517 HydrophobicContact CD1-CG2 3.75Å; Y509-V517 HydrophobicContact CG-CG2 4.5Å
510	S	90.7	Very high	91.1	Very high	24 Å²	24	32.1 Å²	32.1	17%	0.168	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-15.2	177.8	67.3	0	0	0	0	114.7	A506 D507 F508 G512 T607	A506-S510 VanDerWaalsContact O-CB 3.22Å; A506-S510 WeakPolarHBondContact O-CB 3.27Å; A506-S510 PolarHBondContact O-N 3.45Å; A506-S510 PolarHBondContact O-OG 3.15Å; A506-S510 VanDerWaalsContact O-OG 3.05Å; D507-S510 PolarHBondContact O-OG 3.39Å; F508-S510 VanDerWaalsContact C-N 3.3Å; F508-S510 PolarHBondContact O-N 3.35Å; S510-G512 VanDerWaalsContact C-N 3.3Å; S510-T607 WeakPolarHBondContact OG-CG2 3.49Å; S510-T607 PolarHBondContact OG-OG1 2.61Å
511	R	85.9	Confident	91.2	Very high	166 Å²	166	31.8 Å²	31.8	63%	0.626	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-10.7	176.8	-61.8	168.7	-169.5	-177.8	1.7	113	D507 F508 Y509	D507-R511 WeakPolarHBondContact O-CG 3.31Å; D507-R511 PolarHBondContact O-NE 3.15Å; F508-R511 WeakPolarHBondContact O-CB 2.99Å; F508-R511 PolarHBondContact O-N 3.07Å; F508-R511 VanDerWaalsContact O-N 3.15Å; Y509-R511 PolarHBondContact O-N 3.14Å; Y509-R511 VanDerWaalsContact O-N 3.15Å
512	G	83.4	Confident	91.3	Very high	10 Å²	10	31.2 Å²	31.2	10%	0.103	16%	0.16	C	C	.	.	S	Bend	trans	-65	140.2	176.7	0	0	0	0	0	111.5	Y509 S510 N514 A515	Y509-G512 PolarHBondContact O-N 3.13Å; Y509-G512 VanDerWaalsContact O-N 3.14Å; S510-G512 VanDerWaalsContact C-N 3.3Å; G512-N514 PolarHBondContact O-N 2.95Å; G512-A515 WeakPolarHBondContact O-CB 3.4Å; G512-A515 PolarHBondContact O-N 3.35Å
513	P	77.9	Confident	91.4	Very high	125 Å²	125	33.4 Å²	33.4	81%	0.812	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-26.1	-170.7	22.7	-33.9	0	0	0	114.4
514	N	77.9	Confident	91.5	Very high	130 Å²	130	34.5 Å²	34.5	70%	0.695	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121.8	19.2	177.8	-64.6	-48.3	0	0	0	112.3	G512 Q516	G512-N514 PolarHBondContact O-N 2.95Å; N514-Q516 PolarHBondContact O-N 3.48Å
515	A	81.5	Confident	91.6	Very high	8 Å²	8	33.6 Å²	33.6	7%	0.066	17%	0.169	C	C	.	.			trans	-66.9	131.2	-176.1	0	0	0	0	0	111	I395 Y509 G512 V517	I395-A515 HydrophobicContact CG2-CB 4.16Å; Y509-A515 HydrophobicContact CD1-CB 4.21Å; Y509-A515 WeakPolarHBondContact O-CB 3.43Å; G512-A515 WeakPolarHBondContact O-CB 3.4Å; G512-A515 PolarHBondContact O-N 3.35Å; A515-V517 HydrophobicContact CB-CG2 4.3Å
516	Q	90.4	Very high	91.7	Very high	65 Å²	65	33.7 Å²	33.7	30%	0.304	17%	0.17	S	C	.	.			trans	-115.4	113.8	165.4	-60.8	-175.7	-2.3	0	0	107.2	R398 I399 N514 F518 G584	R398-Q516 HydrophobicContact CB-CB 4.14Å; R398-Q516 HydrophobicContact CG-CB 3.91Å; R398-Q516 HydrophobicContact CG-CG 4.23Å; I399-Q516 PolarHBondContact N-O 3.25Å; N514-Q516 PolarHBondContact O-N 3.48Å; Q516-F518 HydrophobicContact CB-CE2 4.22Å; Q516-G584 PolarHBondContact OE1-O 2.79Å
517	V	95.3	Very high	91.8	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	130.4	-175.7	-175.5	0	0	0	0	107.6	I399 L401 A506 Y509 A515 Y605	I399-V517 HydrophobicContact CD1-CG1 4.37Å; I399-V517 HydrophobicContact CD1-CG2 4.28Å; I399-V517 HydrophobicContact CG1-CB 4.39Å; I399-V517 HydrophobicContact CG1-CG1 4.19Å; I399-V517 HydrophobicContact CG1-CG2 3.98Å; I399-V517 WeakPolarHBondContact O-CA 3.38Å; L401-V517 HydrophobicContact CD2-CG1 3.71Å; A506-V517 HydrophobicContact CB-CG1 4.31Å; Y509-V517 HydrophobicContact CD1-CG2 3.75Å; Y509-V517 HydrophobicContact CG-CG2 4.5Å; A515-V517 HydrophobicContact CB-CG2 4.3Å; V517-Y605 HydrophobicContact CG1-CD1 4.02Å; V517-Y605 HydrophobicContact CG1-CG 4.18Å; V517-Y605 VanDerWaalsContact O-CB 3.32Å; V517-Y605 WeakPolarHBondContact O-CB 3.31Å; V517-Y605 PolarHBondContact O-N 3.32Å
518	F	96.5	Very high	92	Very high	9 Å²	9	38.1 Å²	38.1	4%	0.039	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	132	173	-63.8	-87.1	0	0	0	108.8	I399 M400 L401 Q516 F580 G584 P586 W602 R604	I399-F518 PolarHBondContact O-N 2.98Å; M400-F518 CarbonylContact C-O 3.54Å; M400-F518 WeakPolarHBondContact CA-O 3.42Å; M400-F518 HydrophobicContact CB-CB 4.42Å; M400-F518 HydrophobicContact CG-CB 4.14Å; L401-F518 PolarHBondContact N-O 2.91Å; Q516-F518 HydrophobicContact CB-CE2 4.22Å; F518-F580 HydrophobicContact CD2-CD2 4.26Å; F518-F580 HydrophobicContact CD2-CE2 4.08Å; F518-F580 HydrophobicContact CE2-CE2 4.49Å; F518-G584 WeakPolarHBondContact CE2-O 3.34Å; F518-P586 HydrophobicContact CB-CG 4.35Å; F518-P586 HydrophobicContact CD1-CG 3.54Å; F518-P586 HydrophobicContact CD2-CG 4.28Å; F518-P586 VanDerWaalsContact CE1-CD 3.45Å; F518-P586 HydrophobicContact CE1-CG 3.82Å; F518-P586 VanDerWaalsContact CE2-CD 3.49Å; F518-P586 HydrophobicContact CG-CG 3.79Å; F518-P586 VanDerWaalsContact CZ-CD 3.43Å; F518-P586 HydrophobicContact CZ-CG 4.31Å; F518-W602 HydrophobicContact CB-CZ2 4.15Å; F518-W602 AromaticContact CD1-CD1 3.99Å; F518-W602 HydrophobicContact CD1-CG 4.33Å; F518-R604 HydrophobicContact CE1-CB 4.29Å
519	L	97.4	Very high	92.2	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	140.2	-179.8	-173.4	65	0	0	0	110.3	L401 V502 W602 Y605 H660 M661 L674	L401-L519 HydrophobicContact CD1-CD1 4.22Å; L401-L519 HydrophobicContact CG-CD1 4.01Å; L401-L519 CarbonylContact O-C 3.46Å; L401-L519 WeakPolarHBondContact O-CA 3.43Å; V502-L519 HydrophobicContact CG1-CD1 4.15Å; L519-W602 WeakPolarHBondContact O-CZ2 3.28Å; L519-W602 PolarHBondContact O-NE1 3.36Å; L519-Y605 HydrophobicContact CB-CD2 3.62Å; L519-Y605 HydrophobicContact CB-CE2 4.23Å; L519-Y605 HydrophobicContact CB-CG 4.3Å; L519-Y605 HydrophobicContact CD2-CD2 3.71Å; L519-Y605 HydrophobicContact CD2-CE2 3.42Å; L519-Y605 VanDerWaalsContact CD2-CE2 3.42Å; L519-Y605 HydrophobicContact CG-CD2 4.33Å; L519-Y605 HydrophobicContact CG-CE2 4.46Å; L519-H660 HydrophobicContact CB-CB 3.82Å; L519-H660 HydrophobicContact CD2-CB 4.02Å; L519-H660 HydrophobicContact CG-CB 3.82Å; L519-H660 CarbonylContact O-C 3.57Å; L519-H660 WeakPolarHBondContact O-CA 3.49Å; L519-H660 VanDerWaalsContact O-CB 3.24Å; L519-H660 WeakPolarHBondContact O-CB 3.46Å; L519-M661 PolarHBondContact O-N 3Å; L519-L674 HydrophobicContact CD1-CD2 4.45Å; L519-L674 HydrophobicContact CD2-CB 4.23Å; L519-L674 HydrophobicContact CD2-CD2 3.96Å; L519-L674 HydrophobicContact CG-CD2 4.32Å
520	Y	97.7	Very high	92.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	161.8	169.7	72.2	-89.9	0	0	0	114.2	Q270 M400 L401 G402 V403 F522 W577 W602 M661 F663	Q270-Y520 WeakPolarHBondContact CG-OH 3.23Å; M400-Y520 HydrophobicContact CG-CD1 4.28Å; L401-Y520 WeakPolarHBondContact O-CD1 3.13Å; L401-Y520 PolarHBondContact O-N 3.36Å; G402-Y520 VanDerWaalsContact CA-CE1 3.5Å; G402-Y520 WeakPolarHBondContact CA-O 3.41Å; V403-Y520 PolarHBondContact N-O 3.19Å; V403-Y520 VanDerWaalsContact N-O 3.14Å; Y520-F522 HydrophobicContact CD2-CB 4.41Å; Y520-F522 HydrophobicContact CE2-CB 4.24Å; Y520-W577 HydrophobicContact CD1-CH2 4.09Å; Y520-W577 HydrophobicContact CD1-CZ2 4.4Å; Y520-W577 HydrophobicContact CD2-CH2 4.41Å; Y520-W577 AromaticContact CE1-CH2 3.83Å; Y520-W577 HydrophobicContact CE1-CH2 3.83Å; Y520-W577 AromaticContact CE1-CZ2 3.72Å; Y520-W577 HydrophobicContact CE1-CZ2 3.72Å; Y520-W577 HydrophobicContact CE2-CH2 4.19Å; Y520-W577 HydrophobicContact CE2-CZ2 4.44Å; Y520-W577 HydrophobicContact CG-CH2 4.39Å; Y520-W577 AromaticContact CZ-CH2 3.89Å; Y520-W577 AromaticContact CZ-CZ2 3.75Å; Y520-W602 AromaticContact CD1-CH2 3.92Å; Y520-W602 HydrophobicContact CD1-CH2 3.92Å; Y520-W602 HydrophobicContact CD1-CZ2 4.15Å; Y520-W602 HydrophobicContact CG-CH2 4.16Å; Y520-W602 HydrophobicContact CG-CZ2 4.31Å; Y520-M661 CarbonylContact C-O 3.14Å; Y520-M661 WeakPolarHBondContact CA-O 3.45Å; Y520-M661 WeakPolarHBondContact CB-O 3.39Å; Y520-F663 HydrophobicContact CD2-CD2 4.05Å; Y520-F663 HydrophobicContact CD2-CE2 4.28Å; Y520-F663 HydrophobicContact CG-CD2 4.27Å; Y520-F663 HydrophobicContact CG-CE2 4.08Å
521	S	97.6	Very high	92.3	Very high	3 Å²	3	39.1 Å²	39.1	2%	0.021	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	125	165.8	-176.3	0	0	0	0	108.4	V403 E523 M661 V662 F663	V403-S521 CarbonylContact O-C 3.58Å; V403-S521 VanDerWaalsContact O-CA 3.31Å; V403-S521 WeakPolarHBondContact O-CA 3.37Å; S521-E523 VanDerWaalsContact OG-CG 3.32Å; S521-E523 WeakPolarHBondContact OG-CG 3.33Å; S521-E523 PolarHBondContact OG-OE1 3.49Å; S521-M661 PolarHBondContact N-O 3.23Å; S521-V662 WeakPolarHBondContact O-CA 2.85Å; S521-F663 PolarHBondContact O-N 2.97Å
522	F	98.2	Very high	92.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	116.6	173.1	-179.8	-100.4	0	0	0	109.7	V403 N404 K405 Y520 H524 I537 E542 Y545 L569 M573 F663	V403-F522 PolarHBondContact O-N 2.95Å; N404-F522 CarbonylContact C-O 3.56Å; N404-F522 WeakPolarHBondContact CA-O 3.42Å; K405-F522 PolarHBondContact N-O 3.19Å; Y520-F522 HydrophobicContact CD2-CB 4.41Å; Y520-F522 HydrophobicContact CE2-CB 4.24Å; F522-H524 WeakPolarHBondContact CE1-O 3.23Å; F522-H524 HydrophobicContact CE2-CB 4.09Å; F522-H524 HydrophobicContact CZ-CB 3.95Å; F522-H524 WeakPolarHBondContact CZ-O 3.49Å; F522-I537 HydrophobicContact CD1-CG2 3.54Å; F522-I537 HydrophobicContact CE1-CG2 3.59Å; F522-E542 HydrophobicContact CB-CB 4.12Å; F522-E542 HydrophobicContact CD1-CB 3.76Å; F522-E542 HydrophobicContact CD2-CB 3.98Å; F522-E542 HydrophobicContact CE1-CB 4.16Å; F522-E542 HydrophobicContact CE2-CB 4.35Å; F522-E542 HydrophobicContact CG-CB 3.67Å; F522-E542 HydrophobicContact CZ-CB 4.45Å; F522-Y545 AromaticContact CE2-CD2 3.9Å; F522-Y545 HydrophobicContact CE2-CD2 3.9Å; F522-Y545 HydrophobicContact CE2-CE2 4.17Å; F522-Y545 HydrophobicContact CE2-CG 4.45Å; F522-Y545 AromaticContact CZ-CD2 3.64Å; F522-Y545 HydrophobicContact CZ-CD2 3.64Å; F522-Y545 AromaticContact CZ-CE2 3.58Å; F522-Y545 HydrophobicContact CZ-CE2 3.58Å; F522-L569 HydrophobicContact CE2-CD2 4.41Å; F522-M573 HydrophobicContact CD2-CE 3.89Å; F522-M573 HydrophobicContact CD2-SD 4.05Å; F522-M573 HydrophobicContact CE2-CE 4.1Å; F522-M573 HydrophobicContact CE2-SD 3.85Å; F522-F663 HydrophobicContact CD2-CB 3.88Å
523	E	97.5	Very high	93.1	Very high	47 Å²	47	39 Å²	39	22%	0.22	22%	0.218	C	C	.	.			trans	-126.8	9.2	-169.5	-58.4	-165.7	-167.5	0	0	113.5	K405 S521 V662 F663	K405-E523 HydrophobicContact CB-CB 4.49Å; K405-E523 HydrophobicContact CB-CG 4.17Å; K405-E523 HydrophobicContact CD-CB 4.26Å; K405-E523 HydrophobicContact CD-CG 4.32Å; S521-E523 VanDerWaalsContact OG-CG 3.32Å; S521-E523 WeakPolarHBondContact OG-CG 3.33Å; S521-E523 PolarHBondContact OG-OE1 3.49Å; E523-V662 HydrophobicContact CB-CG1 4.2Å; E523-V662 HydrophobicContact CG-CG1 3.86Å; E523-F663 PolarHBondContact N-O 3.33Å
524	H	97.9	Very high	93.9	Very high	24 Å²	24	34.8 Å²	34.8	11%	0.111	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-89.1	130.3	176.6	-172.8	60.6	0	0	0	111.6	F522 I537 Y545 E566 L569 F663 L665	F522-H524 WeakPolarHBondContact CE1-O 3.23Å; F522-H524 HydrophobicContact CE2-CB 4.09Å; F522-H524 HydrophobicContact CZ-CB 3.95Å; F522-H524 WeakPolarHBondContact CZ-O 3.49Å; H524-I537 WeakPolarHBondContact O-CG1 3.45Å; H524-I537 WeakPolarHBondContact O-CG2 3.35Å; H524-Y545 AromaticContact CD2-CZ 3.77Å; H524-Y545 PolarHBondContact CD2-OH 2.94Å; H524-Y545 PolarHBondContact NE2-OH 3.22Å; H524-E566 IonicContact CD2-OE1 2.79Å; H524-E566 IonicContact CE1-OE1 2.76Å; H524-E566 WeakPolarHBondContact NE2-CG 3.43Å; H524-E566 IonicContact NE2-OE1 3.19Å; H524-E566 PolarHBondContact NE2-OE1 2.81Å; H524-L569 HydrophobicContact CB-CD2 3.81Å; H524-F663 PolarHBondContact N-O 2.82Å; H524-L665 VanDerWaalsContact CE1-CD1 3.49Å; H524-L665 WeakPolarHBondContact CE1-CD1 3.4Å
525	R	96.8	Very high	94.7	Very high	41 Å²	41	28.6 Å²	28.6	16%	0.155	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-96.7	120	170.4	-178.1	178.1	168.6	88.3	6.9	109.5	S527 L529 W531 T535 G536 I537	R525-S527 PolarHBondContact O-N 3.14Å; R525-L529 HydrophobicContact CG-CD1 4.49Å; R525-L529 PolarHBondContact NH2-O 3.37Å; R525-W531 PolarHBondContact NH2-O 2.91Å; R525-T535 PolarHBondContact NH1-OG1 3.5Å; R525-T535 VanDerWaalsContact NH1-OG1 3.08Å; R525-G536 PolarHBondContact NH1-O 3.14Å; R525-I537 HydrophobicContact CB-CD1 4.14Å; R525-I537 HydrophobicContact CB-CG1 3.92Å
526	T	97.2	Very high	95.4	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.012	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-61.4	128.9	178.6	-50.4	0	0	0	0	111.7	G528 L529 E544 Y545 Y560 F562 E566	T526-G528 VanDerWaalsContact C-N 3.29Å; T526-G528 PolarHBondContact O-N 3.28Å; T526-L529 HydrophobicContact CG2-CG 4.25Å; T526-L529 PolarHBondContact O-N 3.39Å; T526-E544 VanDerWaalsContact CB-OE1 3.27Å; T526-E544 WeakPolarHBondContact CB-OE1 3.46Å; T526-E544 VanDerWaalsContact CG2-OE1 3.27Å; T526-E544 WeakPolarHBondContact CG2-OE1 3.48Å; T526-E544 PolarHBondContact OG1-OE1 2.88Å; T526-Y545 WeakPolarHBondContact OG1-CE2 3.36Å; T526-Y545 PolarHBondContact OG1-OH 2.79Å; T526-Y560 HydrophobicContact CG2-CD2 4.34Å; T526-Y560 HydrophobicContact CG2-CE2 4.18Å; T526-F562 HydrophobicContact CG2-CD1 3.63Å; T526-F562 HydrophobicContact CG2-CE1 3.38Å; T526-F562 HydrophobicContact CG2-CZ 4.34Å; T526-E566 WeakPolarHBondContact CA-OE1 3.36Å
527	S	95.9	Very high	95.6	Very high	72 Å²	72	26.6 Å²	26.6	50%	0.503	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-33.7	-172.9	62.7	0	0	0	0	113.6	R525 L529 E566	R525-S527 PolarHBondContact O-N 3.14Å; S527-L529 VanDerWaalsContact C-N 3.33Å; S527-L529 PolarHBondContact O-N 2.95Å; S527-E566 WeakPolarHBondContact CB-OE1 3.42Å; S527-E566 PolarHBondContact N-OE1 2.85Å; S527-E566 PolarHBondContact OG-OE1 2.78Å; S527-E566 PolarHBondContact OG-OE2 3.44Å
528	G	95.2	Very high	95.4	Very high	21 Å²	21	26.8 Å²	26.8	22%	0.216	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-6.5	-179.9	0	0	0	0	0	115.5	T526 T530 Y560	T526-G528 VanDerWaalsContact C-N 3.29Å; T526-G528 PolarHBondContact O-N 3.28Å; G528-T530 PolarHBondContact O-N 2.68Å; G528-Y560 WeakPolarHBondContact O-CB 3.27Å
529	L	93.9	Very high	95	Very high	19 Å²	19	26.9 Å²	26.9	10%	0.099	15%	0.147	C	C	.	.			trans	-72.2	128	-176.6	-63.7	171.9	0	0	0	111.8	T103 R525 T526 S527 Y541 Y560	T103-L529 HydrophobicContact CG2-CB 4.42Å; T103-L529 HydrophobicContact CG2-CD2 3.33Å; T103-L529 HydrophobicContact CG2-CG 4.42Å; R525-L529 HydrophobicContact CG-CD1 4.49Å; R525-L529 PolarHBondContact NH2-O 3.37Å; T526-L529 HydrophobicContact CG2-CG 4.25Å; T526-L529 PolarHBondContact O-N 3.39Å; S527-L529 VanDerWaalsContact C-N 3.33Å; S527-L529 PolarHBondContact O-N 2.95Å; L529-Y541 HydrophobicContact CD1-CD1 3.99Å; L529-Y541 HydrophobicContact CD1-CE1 4.25Å; L529-Y541 HydrophobicContact CD1-CG 4.34Å; L529-Y541 HydrophobicContact CD2-CD1 3.66Å; L529-Y541 HydrophobicContact CD2-CE1 3.3Å; L529-Y541 HydrophobicContact CG-CD1 4.49Å; L529-Y541 HydrophobicContact CG-CE1 4.44Å; L529-Y560 HydrophobicContact CD2-CD2 4.42Å; L529-Y560 HydrophobicContact CD2-CE1 4.09Å; L529-Y560 HydrophobicContact CD2-CE2 3.87Å
530	T	92.7	Very high	94.5	Very high	67 Å²	67	26.8 Å²	26.8	41%	0.411	15%	0.147	S	C	.	.			trans	-90.5	-3.2	177.8	55.6	0	0	0	0	113.4	D101 T103 W426 G528	D101-T530 PolarHBondContact OD1-OG1 2.81Å; D101-T530 WeakPolarHBondContact OD2-CB 3.29Å; D101-T530 PolarHBondContact OD2-OG1 3.08Å; T103-T530 PolarHBondContact OG1-N 2.79Å; T103-T530 PolarHBondContact OG1-OG1 3.27Å; W426-T530 PolarHBondContact NE1-O 2.76Å; G528-T530 PolarHBondContact O-N 2.68Å
531	W	91.4	Very high	94.3	Very high	10 Å²	10	27.1 Å²	27.1	4%	0.038	15%	0.148	C	C	.	.	S	Bend	trans	-51	144.3	168.2	-76.3	112.5	0	0	0	110	T103 T104 V413 P427 R525 Q533 T535 M538 Y541	T103-W531 HydrophobicContact CG2-CG 4.14Å; T104-W531 HydrophobicContact CG2-CH2 4Å; T104-W531 HydrophobicContact CG2-CZ2 3.66Å; V413-W531 HydrophobicContact CG1-CZ3 4.47Å; P427-W531 HydrophobicContact CG-CE3 3.91Å; P427-W531 HydrophobicContact CG-CZ3 3.47Å; P427-W531 VanDerWaalsContact CG-CZ3 3.47Å; R525-W531 PolarHBondContact NH2-O 2.91Å; W531-Q533 PolarHBondContact O-N 3.14Å; W531-T535 HydrophobicContact CB-CG2 4.36Å; W531-T535 WeakPolarHBondContact CB-OG1 3.45Å; W531-T535 HydrophobicContact CE3-CG2 4.27Å; W531-M538 HydrophobicContact CB-CE 4.43Å; W531-M538 VanDerWaalsContact CD1-CE 3.44Å; W531-M538 HydrophobicContact CD2-CE 3.38Å; W531-M538 HydrophobicContact CE3-CE 3.92Å; W531-M538 HydrophobicContact CG-CE 3.57Å; W531-M538 HydrophobicContact CH2-CE 4.4Å; W531-M538 HydrophobicContact CZ2-CE 3.92Å; W531-M538 HydrophobicContact CZ3-CE 4.35Å; W531-M538 VanDerWaalsContact NE1-CE 3.29Å; W531-Y541 AromaticContact NE1-CE2 4Å; W531-Y541 AromaticContact NE1-CZ 3.65Å; W531-Y541 PolarHBondContact NE1-OH 3.27Å
532	P	92.7	Very high	94.2	Very high	22 Å²	22	27 Å²	27	14%	0.143	15%	0.147	C	C	.	.			trans	-55.9	144	176.3	-24.3	32.7	0	0	0	112.4	P427 W534 T535	P427-P532 HydrophobicContact CB-CG 4.39Å; P427-P532 WeakPolarHBondContact O-CG 3.46Å; P532-W534 VanDerWaalsContact CB-CD1 3.49Å; P532-W534 HydrophobicContact CB-CD2 4.27Å; P532-W534 HydrophobicContact CB-CG 4.22Å; P532-W534 HydrophobicContact CB-CZ2 4.11Å; P532-W534 HydrophobicContact CG-CZ2 4.02Å; P532-W534 PolarHBondContact O-N 2.83Å; P532-T535 HydrophobicContact CB-CG2 4.36Å; P532-T535 HydrophobicContact CG-CG2 4.47Å; P532-T535 WeakPolarHBondContact O-CB 3.41Å; P532-T535 WeakPolarHBondContact O-CG2 3.27Å; P532-T535 PolarHBondContact O-N 2.96Å; P532-T535 PolarHBondContact O-OG1 3.18Å
533	Q	93.9	Very high	94.1	Very high	152 Å²	152	27 Å²	27	71%	0.71	15%	0.147	S	C	*	.	G	3₁₀ helix	trans	-55.3	-32.4	-173.9	-167.3	71.1	-3.7	0	0	113.9	W531 T535 G536	W531-Q533 PolarHBondContact O-N 3.14Å; Q533-T535 PolarHBondContact O-N 3.39Å; Q533-G536 PolarHBondContact O-N 3.15Å
534	W	94.3	Very high	94	Very high	37 Å²	37	24.7 Å²	24.7	14%	0.14	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-66.9	-14.1	179.2	58.6	-98.9	0	0	0	113.9	M409 V413 F420 P427 I429 L483 V486 P532 G536	M409-W534 HydrophobicContact CE-CE3 4.19Å; M409-W534 HydrophobicContact CE-CZ3 4.43Å; M409-W534 HydrophobicContact CG-CZ3 4.45Å; M409-W534 HydrophobicContact SD-CE3 3.87Å; M409-W534 HydrophobicContact SD-CZ3 3.52Å; M409-W534 VanDerWaalsContact SD-CZ3 3.52Å; V413-W534 HydrophobicContact CG2-CH2 3.72Å; V413-W534 HydrophobicContact CG2-CZ3 3.91Å; F420-W534 AromaticContact CD1-CH2 3.52Å; F420-W534 HydrophobicContact CD1-CH2 3.52Å; F420-W534 HydrophobicContact CD1-CZ2 4.29Å; F420-W534 HydrophobicContact CD1-CZ3 4.06Å; F420-W534 AromaticContact CE1-CH2 3.81Å; F420-W534 HydrophobicContact CE1-CH2 3.81Å; F420-W534 AromaticContact CE1-CZ3 3.86Å; F420-W534 HydrophobicContact CE1-CZ3 3.86Å; P427-W534 HydrophobicContact CB-CH2 4.27Å; P427-W534 HydrophobicContact CB-CZ2 4.09Å; I429-W534 HydrophobicContact CD1-CB 4.03Å; I429-W534 HydrophobicContact CD1-CD2 4.38Å; I429-W534 HydrophobicContact CD1-CG 3.72Å; I429-W534 HydrophobicContact CG1-CB 4.43Å; I429-W534 HydrophobicContact CG1-CD2 3.81Å; I429-W534 HydrophobicContact CG1-CG 3.63Å; I429-W534 HydrophobicContact CG1-CZ2 4.44Å; I429-W534 VanDerWaalsContact CG1-NE1 3.29Å; L483-W534 HydrophobicContact CD1-CB 3.78Å; V486-W534 HydrophobicContact CG1-CE3 4Å; V486-W534 HydrophobicContact CG1-CZ3 4.21Å; P532-W534 VanDerWaalsContact CB-CD1 3.49Å; P532-W534 HydrophobicContact CB-CD2 4.27Å; P532-W534 HydrophobicContact CB-CG 4.22Å; P532-W534 HydrophobicContact CB-CZ2 4.11Å; P532-W534 HydrophobicContact CG-CZ2 4.02Å; P532-W534 PolarHBondContact O-N 2.83Å; W534-G536 VanDerWaalsContact C-N 3.25Å; W534-G536 PolarHBondContact O-N 3.13Å
535	T	94.7	Very high	94	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-72.7	-17.6	177.7	59.6	0	0	0	0	113.4	M409 R525 W531 P532 Q533	M409-T535 HydrophobicContact CG-CG2 4.37Å; M409-T535 WeakPolarHBondContact CG-O 3.39Å; R525-T535 PolarHBondContact NH1-OG1 3.5Å; R525-T535 VanDerWaalsContact NH1-OG1 3.08Å; W531-T535 HydrophobicContact CB-CG2 4.36Å; W531-T535 WeakPolarHBondContact CB-OG1 3.45Å; W531-T535 HydrophobicContact CE3-CG2 4.27Å; P532-T535 HydrophobicContact CB-CG2 4.36Å; P532-T535 HydrophobicContact CG-CG2 4.47Å; P532-T535 WeakPolarHBondContact O-CB 3.41Å; P532-T535 WeakPolarHBondContact O-CG2 3.27Å; P532-T535 PolarHBondContact O-N 2.96Å; P532-T535 PolarHBondContact O-OG1 3.18Å; Q533-T535 PolarHBondContact O-N 3.39Å
536	G	95.2	Very high	94.1	Very high	14 Å²	14	21.6 Å²	21.6	14%	0.144	12%	0.124	C	C	.	.			trans	64.5	-135.9	176.8	0	0	0	0	0	113.4	D406 R525 Q533 W534	D406-G536 VanDerWaalsContact OD2-CA 3.29Å; D406-G536 WeakPolarHBondContact OD2-CA 3.48Å; R525-G536 PolarHBondContact NH1-O 3.14Å; Q533-G536 PolarHBondContact O-N 3.15Å; W534-G536 VanDerWaalsContact C-N 3.25Å; W534-G536 PolarHBondContact O-N 3.13Å
537	I	95.4	Very high	94.1	Very high	17 Å²	17	21.7 Å²	21.7	9%	0.087	12%	0.124	C	C	.	.	S	Bend	trans	-114.1	92.6	-177	-55.1	74.2	0	0	0	109.1	N404 K405 D406 F522 H524 R525	N404-I537 HydrophobicContact CB-CG2 4.41Å; K405-I537 HydrophobicContact CB-CB 4.13Å; K405-I537 HydrophobicContact CB-CD1 4.17Å; K405-I537 HydrophobicContact CB-CG1 4.48Å; K405-I537 HydrophobicContact CD-CD1 3.98Å; D406-I537 WeakPolarHBondContact CA-O 3.27Å; D406-I537 WeakPolarHBondContact CB-O 3.42Å; D406-I537 PolarHBondContact N-O 3.12Å; D406-I537 PolarHBondContact OD2-N 2.77Å; F522-I537 HydrophobicContact CD1-CG2 3.54Å; F522-I537 HydrophobicContact CE1-CG2 3.59Å; H524-I537 WeakPolarHBondContact O-CG1 3.45Å; H524-I537 WeakPolarHBondContact O-CG2 3.35Å; R525-I537 HydrophobicContact CB-CD1 4.14Å; R525-I537 HydrophobicContact CB-CG1 3.92Å
538	M	91.6	Very high	94.2	Very high	4 Å²	4	18.2 Å²	18.2	2%	0.02	10%	0.1	C	C	.	.			trans	-76.5	159.8	-176.9	-62.1	-166.1	-70.5	0	0	112.5	N404 M409 Y410 W531 Y541	N404-M538 PolarHBondContact ND2-O 3.02Å; M409-M538 HydrophobicContact CB-CG 4.03Å; M409-M538 HydrophobicContact CB-SD 4.26Å; M409-M538 HydrophobicContact CG-CG 4.28Å; M409-M538 HydrophobicContact CG-SD 4.07Å; Y410-M538 HydrophobicContact CD2-SD 4.34Å; W531-M538 HydrophobicContact CB-CE 4.43Å; W531-M538 VanDerWaalsContact CD1-CE 3.44Å; W531-M538 HydrophobicContact CD2-CE 3.38Å; W531-M538 HydrophobicContact CE3-CE 3.92Å; W531-M538 HydrophobicContact CG-CE 3.57Å; W531-M538 HydrophobicContact CH2-CE 4.4Å; W531-M538 HydrophobicContact CZ2-CE 3.92Å; W531-M538 HydrophobicContact CZ3-CE 4.35Å; W531-M538 VanDerWaalsContact NE1-CE 3.29Å; M538-Y541 HydrophobicContact CB-CD2 4.14Å; M538-Y541 HydrophobicContact CB-CE2 4.29Å; M538-Y541 HydrophobicContact CE-CE2 4.17Å
539	Q	87.5	Confident	94.2	Very high	11 Å²	11	17.4 Å²	17.4	5%	0.051	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	138.4	173.6	-168	-177.8	16.9	0	0	112.1	S245 S271 E407	S245-Q539 VanDerWaalsContact CA-NE2 3.31Å; S271-Q539 PolarHBondContact O-NE2 3.13Å; E407-Q539 WeakPolarHBondContact OE2-CB 3.46Å; E407-Q539 WeakPolarHBondContact OE2-CG 3.22Å
540	G	88.2	Confident	94.4	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.9	-23.3	172.3	0	0	0	0	0	115.1	W107 H244 E542 A543	W107-G540 WeakPolarHBondContact CH2-O 3.14Å; H244-G540 VanDerWaalsContact CD2-CA 3.46Å; H244-G540 WeakPolarHBondContact CD2-CA 3.46Å; H244-G540 WeakPolarHBondContact NE2-CA 3.5Å; G540-E542 WeakPolarHBondContact CA-OE2 3.26Å; G540-E542 PolarHBondContact N-OE2 3.49Å; G540-E542 PolarHBondContact O-N 2.92Å; G540-A543 WeakPolarHBondContact O-CB 3.36Å; G540-A543 PolarHBondContact O-N 3.49Å
541	Y	92.8	Very high	94.5	Very high	6 Å²	6	14.9 Å²	14.9	2%	0.024	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-12.2	-179.6	-74.9	-81.3	0	0	0	113.9	T103 W107 L529 W531 M538 A543 E544	T103-Y541 HydrophobicContact CG2-CE1 4Å; T103-Y541 VanDerWaalsContact CG2-OH 3.23Å; T103-Y541 WeakPolarHBondContact CG2-OH 3.49Å; T103-Y541 PolarHBondContact O-OH 3.22Å; W107-Y541 HydrophobicContact CZ2-CE1 4.26Å; W107-Y541 HydrophobicContact CZ2-CE2 4.34Å; W107-Y541 AromaticContact NE1-CZ 3.72Å; W107-Y541 PolarHBondContact NE1-OH 2.85Å; L529-Y541 HydrophobicContact CD1-CD1 3.99Å; L529-Y541 HydrophobicContact CD1-CE1 4.25Å; L529-Y541 HydrophobicContact CD1-CG 4.34Å; L529-Y541 HydrophobicContact CD2-CD1 3.66Å; L529-Y541 HydrophobicContact CD2-CE1 3.3Å; L529-Y541 HydrophobicContact CG-CD1 4.49Å; L529-Y541 HydrophobicContact CG-CE1 4.44Å; W531-Y541 AromaticContact NE1-CE2 4Å; W531-Y541 AromaticContact NE1-CZ 3.65Å; W531-Y541 PolarHBondContact NE1-OH 3.27Å; M538-Y541 HydrophobicContact CB-CD2 4.14Å; M538-Y541 HydrophobicContact CB-CE2 4.29Å; M538-Y541 HydrophobicContact CE-CE2 4.17Å; Y541-A543 PolarHBondContact O-N 2.91Å; Y541-E544 VanDerWaalsContact O-CG 3.28Å; Y541-E544 WeakPolarHBondContact O-CG 3.3Å
542	E	95.8	Very high	94.7	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-68.4	-24.9	169.3	79.8	-69.6	171.2	0	0	112.1	Q270 N404 F522 G540 E544 Y545 I546 M573	Q270-E542 WeakPolarHBondContact CB-OE1 3.33Å; Q270-E542 PolarHBondContact NE2-OE1 2.99Å; N404-E542 PolarHBondContact ND2-OE2 2.82Å; N404-E542 PolarHBondContact OD1-OE2 2.87Å; F522-E542 HydrophobicContact CB-CB 4.12Å; F522-E542 HydrophobicContact CD1-CB 3.76Å; F522-E542 HydrophobicContact CD2-CB 3.98Å; F522-E542 HydrophobicContact CE1-CB 4.16Å; F522-E542 HydrophobicContact CE2-CB 4.35Å; F522-E542 HydrophobicContact CG-CB 3.67Å; F522-E542 HydrophobicContact CZ-CB 4.45Å; G540-E542 WeakPolarHBondContact CA-OE2 3.26Å; G540-E542 PolarHBondContact N-OE2 3.49Å; G540-E542 PolarHBondContact O-N 2.92Å; E542-E544 VanDerWaalsContact C-N 3.28Å; E542-E544 PolarHBondContact O-N 3.18Å; E542-Y545 PolarHBondContact O-N 3Å; E542-I546 HydrophobicContact CG-CD1 4.07Å; E542-I546 WeakPolarHBondContact O-CD1 3.44Å; E542-I546 WeakPolarHBondContact O-CG1 3.13Å; E542-I546 PolarHBondContact O-N 3.16Å; E542-M573 HydrophobicContact CB-CE 4.23Å
543	A	95.5	Very high	94.7	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-61.3	-35.3	-179.4	0	0	0	0	0	112.5	Y176 G540 Y541 Y545 I546 F547	Y176-A543 HydrophobicContact CE1-CB 4.36Å; G540-A543 WeakPolarHBondContact O-CB 3.36Å; G540-A543 PolarHBondContact O-N 3.49Å; Y541-A543 PolarHBondContact O-N 2.91Å; A543-Y545 PolarHBondContact O-N 3.13Å; A543-I546 PolarHBondContact O-N 2.59Å; A543-I546 VanDerWaalsContact O-N 3.09Å; A543-F547 HydrophobicContact CB-CD2 4.4Å; A543-F547 WeakPolarHBondContact O-CD2 3.39Å; A543-F547 PolarHBondContact O-N 2.94Å
544	E	96.3	Very high	94.6	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-63.4	-34.2	-178.4	82.6	-164.1	178.4	0	0	112.2	M175 T526 Y541 E542 G548 A549 P550 Y560 F562	M175-E544 HydrophobicContact CE-CB 3.74Å; M175-E544 WeakPolarHBondContact SD-CA 3.5Å; M175-E544 HydrophobicContact SD-CB 3.27Å; M175-E544 WeakPolarHBondContact SD-CB 3.38Å; T526-E544 VanDerWaalsContact CB-OE1 3.27Å; T526-E544 WeakPolarHBondContact CB-OE1 3.46Å; T526-E544 VanDerWaalsContact CG2-OE1 3.27Å; T526-E544 WeakPolarHBondContact CG2-OE1 3.48Å; T526-E544 PolarHBondContact OG1-OE1 2.88Å; Y541-E544 VanDerWaalsContact O-CG 3.28Å; Y541-E544 WeakPolarHBondContact O-CG 3.3Å; E542-E544 VanDerWaalsContact C-N 3.28Å; E542-E544 PolarHBondContact O-N 3.18Å; E544-G548 PolarHBondContact O-N 3.19Å; E544-G548 VanDerWaalsContact O-N 3.16Å; E544-A549 HydrophobicContact CB-CB 3.84Å; E544-A549 WeakPolarHBondContact O-CB 3.44Å; E544-A549 PolarHBondContact O-N 3.16Å; E544-P550 WeakPolarHBondContact O-CD 3.3Å; E544-Y560 WeakPolarHBondContact OE2-CE2 3.48Å; E544-Y560 PolarHBondContact OE2-OH 2.83Å; E544-F562 HydrophobicContact CG-CE1 3.95Å; E544-F562 HydrophobicContact CG-CZ 4.12Å; E544-F562 WeakPolarHBondContact OE1-CE1 3.35Å
545	Y	97.9	Very high	94.7	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-73.3	-36.3	175.3	-67.5	-87.2	0	0	0	111.8	F522 H524 T526 E542 A543 P550 E566 L569 S570 M573 M574	F522-Y545 AromaticContact CE2-CD2 3.9Å; F522-Y545 HydrophobicContact CE2-CD2 3.9Å; F522-Y545 HydrophobicContact CE2-CE2 4.17Å; F522-Y545 HydrophobicContact CE2-CG 4.45Å; F522-Y545 AromaticContact CZ-CD2 3.64Å; F522-Y545 HydrophobicContact CZ-CD2 3.64Å; F522-Y545 AromaticContact CZ-CE2 3.58Å; F522-Y545 HydrophobicContact CZ-CE2 3.58Å; H524-Y545 AromaticContact CD2-CZ 3.77Å; H524-Y545 PolarHBondContact CD2-OH 2.94Å; H524-Y545 PolarHBondContact NE2-OH 3.22Å; T526-Y545 WeakPolarHBondContact OG1-CE2 3.36Å; T526-Y545 PolarHBondContact OG1-OH 2.79Å; E542-Y545 PolarHBondContact O-N 3Å; A543-Y545 PolarHBondContact O-N 3.13Å; Y545-P550 HydrophobicContact CD1-CG 4.42Å; Y545-P550 HydrophobicContact CE1-CG 4.47Å; Y545-E566 HydrophobicContact CE1-CB 3.95Å; Y545-E566 HydrophobicContact CE1-CG 4.19Å; Y545-E566 WeakPolarHBondContact OH-CG 3.35Å; Y545-L569 HydrophobicContact CD1-CB 4.3Å; Y545-L569 HydrophobicContact CD1-CD2 4.13Å; Y545-L569 HydrophobicContact CD1-CG 4.08Å; Y545-L569 HydrophobicContact CE1-CB 4.35Å; Y545-L569 HydrophobicContact CE1-CD2 3.93Å; Y545-L569 HydrophobicContact CE1-CG 4.29Å; Y545-S570 WeakPolarHBondContact O-CB 3.39Å; Y545-S570 PolarHBondContact O-OG 2.9Å; Y545-M573 WeakPolarHBondContact CB-SD 3.48Å; Y545-M573 HydrophobicContact CG-SD 4Å; Y545-M574 WeakPolarHBondContact O-CG 3.39Å
546	I	97.6	Very high	94.7	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-73.3	-38.8	-179.6	-61.4	158.8	0	0	0	111.5	F242 E542 A543 G548 M573 M574 W577	F242-I546 HydrophobicContact CE2-CG2 4.33Å; E542-I546 HydrophobicContact CG-CD1 4.07Å; E542-I546 WeakPolarHBondContact O-CD1 3.44Å; E542-I546 WeakPolarHBondContact O-CG1 3.13Å; E542-I546 PolarHBondContact O-N 3.16Å; A543-I546 PolarHBondContact O-N 2.59Å; A543-I546 VanDerWaalsContact O-N 3.09Å; I546-G548 VanDerWaalsContact C-N 3.33Å; I546-M573 HydrophobicContact CD1-CE 4.41Å; I546-M573 HydrophobicContact CG1-CE 4Å; I546-M574 VanDerWaalsContact O-CG 3.24Å; I546-M574 WeakPolarHBondContact O-CG 3.5Å; I546-W577 HydrophobicContact CD1-CD2 4.26Å; I546-W577 VanDerWaalsContact CD1-CE2 3.42Å; I546-W577 HydrophobicContact CD1-CH2 4.3Å; I546-W577 HydrophobicContact CD1-CZ2 3.46Å; I546-W577 VanDerWaalsContact CD1-CZ2 3.46Å; I546-W577 HydrophobicContact CG1-CD2 4.02Å; I546-W577 HydrophobicContact CG1-CG 4.38Å; I546-W577 HydrophobicContact CG1-CZ2 3.98Å; I546-W577 HydrophobicContact CG2-CB 4.49Å; I546-W577 HydrophobicContact CG2-CD2 4.47Å; I546-W577 HydrophobicContact CG2-CG 3.96Å
547	F	97.6	Very high	94.7	Very high	3 Å²	3	17.4 Å²	17.4	1%	0.013	9%	0.093	C	C	.	.	H	α-helix	trans	-83.4	-11.6	178.1	-79.8	-85	0	0	0	113.2	W160 M175 Y176 Y180 V189 F242 A543	W160-F547 HydrophobicContact CB-CZ 4.1Å; W160-F547 AromaticContact CD2-CE2 3.88Å; W160-F547 HydrophobicContact CD2-CE2 3.88Å; W160-F547 AromaticContact CD2-CZ 3.59Å; W160-F547 HydrophobicContact CD2-CZ 3.59Å; W160-F547 AromaticContact CE2-CE2 3.97Å; W160-F547 AromaticContact CE2-CZ 3.99Å; W160-F547 AromaticContact CE3-CE2 3.93Å; W160-F547 HydrophobicContact CE3-CE2 3.93Å; W160-F547 AromaticContact CE3-CZ 3.87Å; W160-F547 HydrophobicContact CE3-CZ 3.87Å; W160-F547 HydrophobicContact CG-CE2 4.45Å; W160-F547 AromaticContact CG-CZ 3.7Å; W160-F547 HydrophobicContact CG-CZ 3.7Å; W160-F547 HydrophobicContact CH2-CE2 4.1Å; W160-F547 HydrophobicContact CZ2-CE2 4.1Å; W160-F547 HydrophobicContact CZ3-CE2 4.02Å; W160-F547 HydrophobicContact CZ3-CZ 4.43Å; M175-F547 VanDerWaalsContact O-CB 3.22Å; M175-F547 WeakPolarHBondContact O-CB 3.44Å; M175-F547 WeakPolarHBondContact O-CG 3.2Å; Y176-F547 HydrophobicContact CD1-CD2 4.19Å; Y176-F547 AromaticContact CD1-CE2 3.92Å; Y176-F547 HydrophobicContact CD1-CE2 3.92Å; Y176-F547 HydrophobicContact CD1-CZ 4.37Å; Y176-F547 WeakPolarHBondContact O-CE1 3.47Å; Y180-F547 WeakPolarHBondContact CB-O 3.39Å; V189-F547 HydrophobicContact CG1-CE1 4.34Å; F242-F547 HydrophobicContact CE2-CE1 4.47Å; F242-F547 AromaticContact CE2-CE2 3.9Å; F242-F547 HydrophobicContact CE2-CE2 3.9Å; F242-F547 AromaticContact CE2-CZ 3.65Å; F242-F547 HydrophobicContact CE2-CZ 3.65Å; F242-F547 HydrophobicContact CZ-CE1 4.24Å; F242-F547 HydrophobicContact CZ-CE2 4.41Å; F242-F547 AromaticContact CZ-CZ 3.71Å; F242-F547 HydrophobicContact CZ-CZ 3.71Å; A543-F547 HydrophobicContact CB-CD2 4.4Å; A543-F547 WeakPolarHBondContact O-CD2 3.39Å; A543-F547 PolarHBondContact O-N 2.94Å
548	G	97	Very high	94.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.2	32.3	177.7	0	0	0	0	0	113.5	E544 I546 P550 F551 N552	E544-G548 PolarHBondContact O-N 3.19Å; E544-G548 VanDerWaalsContact O-N 3.16Å; I546-G548 VanDerWaalsContact C-N 3.33Å; G548-P550 VanDerWaalsContact C-N 3.28Å; G548-F551 WeakPolarHBondContact O-CA 3.29Å; G548-F551 VanDerWaalsContact O-CB 3.32Å; G548-F551 WeakPolarHBondContact O-CB 3.49Å; G548-F551 PolarHBondContact O-N 3.31Å; G548-N552 PolarHBondContact O-N 2.75Å
549	A	97	Very high	94.8	Very high	3 Å²	3	23.4 Å²	23.4	3%	0.025	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-53	-36.7	173.3	0	0	0	0	0	113.5	E544 F551 N552 F555 F562	E544-A549 HydrophobicContact CB-CB 3.84Å; E544-A549 WeakPolarHBondContact O-CB 3.44Å; E544-A549 PolarHBondContact O-N 3.16Å; A549-F551 PolarHBondContact O-N 3.35Å; A549-N552 PolarHBondContact O-N 2.91Å; A549-F555 HydrophobicContact CB-CD1 4.01Å; A549-F555 HydrophobicContact CB-CD2 4.05Å; A549-F555 HydrophobicContact CB-CE1 4.06Å; A549-F555 HydrophobicContact CB-CE2 4.07Å; A549-F555 HydrophobicContact CB-CG 4.01Å; A549-F555 HydrophobicContact CB-CZ 4.07Å; A549-F562 HydrophobicContact CB-CE2 4.24Å; A549-F562 HydrophobicContact CB-CZ 4.1Å
550	P	97	Very high	95.2	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.013	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-60	-15.6	173.5	-27.4	37.6	0	0	0	115	E544 Y545 G548 F562 K567	E544-P550 WeakPolarHBondContact O-CD 3.3Å; Y545-P550 HydrophobicContact CD1-CG 4.42Å; Y545-P550 HydrophobicContact CE1-CG 4.47Å; G548-P550 VanDerWaalsContact C-N 3.28Å; P550-F562 HydrophobicContact CB-CB 3.98Å; P550-F562 HydrophobicContact CB-CD1 4.28Å; P550-F562 HydrophobicContact CB-CD2 4.12Å; P550-F562 HydrophobicContact CB-CG 3.87Å; P550-F562 HydrophobicContact CG-CB 4.33Å; P550-F562 HydrophobicContact CG-CD1 3.71Å; P550-F562 HydrophobicContact CG-CD2 4.15Å; P550-F562 HydrophobicContact CG-CE1 3.93Å; P550-F562 HydrophobicContact CG-CE2 4.37Å; P550-F562 HydrophobicContact CG-CG 3.81Å; P550-F562 HydrophobicContact CG-CZ 4.26Å; P550-K567 HydrophobicContact CB-CB 4.41Å; P550-K567 HydrophobicContact CB-CG 3.68Å; P550-K567 WeakPolarHBondContact O-CE 3.42Å
551	F	95.8	Very high	95.5	Very high	32 Å²	32	28.7 Å²	28.7	14%	0.14	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-100.8	-8.5	176.4	-61.5	-65.3	0	0	0	113.2	H45 Y180 K184 G548 A549 K567 S570 E571 M574	H45-F551 AromaticContact CE1-CD1 3.61Å; H45-F551 AromaticContact CE1-CG 3.9Å; Y180-F551 HydrophobicContact CD1-CB 3.75Å; Y180-F551 HydrophobicContact CE1-CB 4.25Å; Y180-F551 WeakPolarHBondContact CE1-O 3.47Å; Y180-F551 HydrophobicContact CG-CB 4.49Å; K184-F551 HydrophobicContact CD-CD2 4.15Å; K184-F551 HydrophobicContact CD-CE2 4.19Å; K184-F551 HydrophobicContact CD-CG 4.39Å; K184-F551 HydrophobicContact CD-CZ 4.43Å; G548-F551 WeakPolarHBondContact O-CA 3.29Å; G548-F551 VanDerWaalsContact O-CB 3.32Å; G548-F551 WeakPolarHBondContact O-CB 3.49Å; G548-F551 PolarHBondContact O-N 3.31Å; A549-F551 PolarHBondContact O-N 3.35Å; F551-K567 HydrophobicContact CE1-CB 4Å; F551-K567 HydrophobicContact CE1-CG 4.34Å; F551-K567 HydrophobicContact CZ-CB 4.09Å; F551-K567 WeakPolarHBondContact CZ-O 3.49Å; F551-S570 WeakPolarHBondContact CE2-OG 3.39Å; F551-E571 HydrophobicContact CZ-CB 4.17Å; F551-M574 HydrophobicContact CD2-CE 3.68Å; F551-M574 HydrophobicContact CE2-CE 3.34Å; F551-M574 HydrophobicContact CZ-CE 4.39Å
552	N	95.2	Very high	95.8	Very high	3 Å²	3	29.5 Å²	29.5	2%	0.016	15%	0.154	C	C	.	.			trans	-94.2	100.3	-176.1	-174.9	-2.3	0	0	0	111.4	E174 Y180 G548 A549 A554 F555 T556	E174-N552 PolarHBondContact OE1-ND2 2.69Å; Y180-N552 HydrophobicContact CD2-CB 3.85Å; Y180-N552 HydrophobicContact CE1-CB 4.27Å; Y180-N552 HydrophobicContact CE2-CB 3.39Å; Y180-N552 HydrophobicContact CG-CB 4.48Å; Y180-N552 VanDerWaalsContact CZ-CA 3.42Å; Y180-N552 PolarHBondContact OH-OD1 3.07Å; G548-N552 PolarHBondContact O-N 2.75Å; A549-N552 PolarHBondContact O-N 2.91Å; N552-A554 VanDerWaalsContact C-N 3.27Å; N552-A554 PolarHBondContact O-N 2.89Å; N552-A554 WeakPolarHBondContact OD1-CB 3.32Å; N552-A554 PolarHBondContact OD1-N 3.41Å; N552-A554 VanDerWaalsContact OD1-N 3.12Å; N552-F555 HydrophobicContact CB-CB 3.76Å; N552-F555 WeakPolarHBondContact O-CB 3.34Å; N552-F555 PolarHBondContact O-N 3.42Å; N552-F555 PolarHBondContact OD1-N 3.45Å; N552-T556 PolarHBondContact O-N 2.89Å; N552-T556 PolarHBondContact O-OG1 2.96Å
553	Q	92.4	Very high	95.9	Very high	115 Å²	115	32 Å²	32	54%	0.537	17%	0.169	S	C	.	.	H	α-helix	trans	-58.1	-39.6	179.1	-167.1	62.7	46.8	0	0	112.4	F555 T556 D557	Q553-F555 VanDerWaalsContact C-N 3.26Å; Q553-F555 PolarHBondContact O-N 3.34Å; Q553-T556 WeakPolarHBondContact CA-OG1 3.27Å; Q553-T556 PolarHBondContact NE2-OG1 3.28Å; Q553-T556 PolarHBondContact O-N 2.9Å; Q553-T556 PolarHBondContact O-OG1 3.5Å; Q553-D557 PolarHBondContact NE2-OD1 2.97Å; Q553-D557 WeakPolarHBondContact O-CB 3.41Å; Q553-D557 PolarHBondContact O-N 2.96Å
554	A	92.3	Very high	95.9	Very high	40 Å²	40	36.8 Å²	36.8	33%	0.331	19%	0.194	S	C	.	.	H	α-helix	trans	-65.1	-33.3	178.3	0	0	0	0	0	111.8	N552 N558	N552-A554 VanDerWaalsContact C-N 3.27Å; N552-A554 PolarHBondContact O-N 2.89Å; N552-A554 WeakPolarHBondContact OD1-CB 3.32Å; N552-A554 PolarHBondContact OD1-N 3.41Å; N552-A554 VanDerWaalsContact OD1-N 3.12Å; A554-N558 PolarHBondContact O-N 3.44Å; A554-N558 PolarHBondContact O-ND2 3.01Å
555	F	95.6	Very high	96	Very high	1 Å²	1	40.8 Å²	40.8	0%	0.004	21%	0.213	C	C	.	.	H	α-helix	trans	-66.8	-50.4	172.6	-176.1	-77.1	0	0	0	110.7	V106 E174 M175 A549 N552 Q553 D557 N558 Y559 Y560 F562	V106-F555 HydrophobicContact CG2-CD2 4.46Å; V106-F555 HydrophobicContact CG2-CE2 3.41Å; V106-F555 VanDerWaalsContact CG2-CE2 3.41Å; V106-F555 HydrophobicContact CG2-CZ 3.67Å; E174-F555 HydrophobicContact CG-CB 4.48Å; E174-F555 HydrophobicContact CG-CD2 4.29Å; M175-F555 HydrophobicContact CB-CE2 4.45Å; M175-F555 HydrophobicContact CE-CE2 4.02Å; M175-F555 HydrophobicContact CE-CZ 3.9Å; M175-F555 HydrophobicContact SD-CE2 3.76Å; M175-F555 HydrophobicContact SD-CZ 4.06Å; A549-F555 HydrophobicContact CB-CD1 4.01Å; A549-F555 HydrophobicContact CB-CD2 4.05Å; A549-F555 HydrophobicContact CB-CE1 4.06Å; A549-F555 HydrophobicContact CB-CE2 4.07Å; A549-F555 HydrophobicContact CB-CG 4.01Å; A549-F555 HydrophobicContact CB-CZ 4.07Å; N552-F555 HydrophobicContact CB-CB 3.76Å; N552-F555 WeakPolarHBondContact O-CB 3.34Å; N552-F555 PolarHBondContact O-N 3.42Å; N552-F555 PolarHBondContact OD1-N 3.45Å; Q553-F555 VanDerWaalsContact C-N 3.26Å; Q553-F555 PolarHBondContact O-N 3.34Å; F555-D557 VanDerWaalsContact C-N 3.27Å; F555-D557 PolarHBondContact O-N 3.03Å; F555-N558 PolarHBondContact O-N 3.26Å; F555-Y559 HydrophobicContact CB-CD2 4.41Å; F555-Y559 HydrophobicContact CD1-CD2 4.15Å; F555-Y559 AromaticContact CD2-CD2 3.69Å; F555-Y559 HydrophobicContact CD2-CD2 3.69Å; F555-Y559 HydrophobicContact CD2-CE2 4.06Å; F555-Y559 HydrophobicContact CE1-CD2 4.34Å; F555-Y559 AromaticContact CE2-CD2 3.93Å; F555-Y559 HydrophobicContact CE2-CD2 3.93Å; F555-Y559 HydrophobicContact CE2-CE2 4.41Å; F555-Y559 AromaticContact CG-CD2 3.82Å; F555-Y559 HydrophobicContact CG-CD2 3.82Å; F555-Y559 HydrophobicContact CG-CE2 4.48Å; F555-Y559 HydrophobicContact CZ-CD2 4.25Å; F555-Y559 VanDerWaalsContact O-CD2 3.28Å; F555-Y559 WeakPolarHBondContact O-CD2 3.45Å; F555-Y559 PolarHBondContact O-N 3.36Å; F555-Y560 HydrophobicContact CE1-CD2 4.26Å; F555-Y560 HydrophobicContact CE1-CE1 4.49Å; F555-Y560 AromaticContact CE1-CE2 3.88Å; F555-Y560 HydrophobicContact CE1-CE2 3.88Å; F555-Y560 HydrophobicContact CZ-CE1 4.4Å; F555-Y560 HydrophobicContact CZ-CE2 4.15Å; F555-Y560 AromaticContact CZ-CZ 3.86Å; F555-F562 AromaticContact CD1-CE2 3.82Å; F555-F562 HydrophobicContact CD1-CE2 3.82Å; F555-F562 HydrophobicContact CD1-CZ 4.37Å; F555-F562 AromaticContact CE1-CE2 3.63Å; F555-F562 HydrophobicContact CE1-CE2 3.63Å; F555-F562 AromaticContact CE1-CZ 3.76Å; F555-F562 HydrophobicContact CE1-CZ 3.76Å; F555-F562 HydrophobicContact CZ-CZ 4.48Å
556	T	95.2	Very high	96	Very high	18 Å²	18	40.8 Å²	40.8	11%	0.11	21%	0.213	C	C	.	.	H	α-helix	trans	-63	-34.5	-177.4	52.5	0	0	0	0	112.8	N552 Q553 N558 Y560 F562	N552-T556 PolarHBondContact O-N 2.89Å; N552-T556 PolarHBondContact O-OG1 2.96Å; Q553-T556 WeakPolarHBondContact CA-OG1 3.27Å; Q553-T556 PolarHBondContact NE2-OG1 3.28Å; Q553-T556 PolarHBondContact O-N 2.9Å; Q553-T556 PolarHBondContact O-OG1 3.5Å; T556-N558 VanDerWaalsContact C-N 3.34Å; T556-N558 PolarHBondContact O-N 2.98Å; T556-Y560 WeakPolarHBondContact CA-O 3.22Å; T556-F562 HydrophobicContact CG2-CD2 3.86Å; T556-F562 HydrophobicContact CG2-CE2 4.24Å
557	D	94.4	Very high	95.9	Very high	110 Å²	110	44.5 Å²	44.5	59%	0.588	23%	0.229	S	C	*	.	H	α-helix	trans	-69.5	-30.9	179.2	-65.7	-14.2	0	0	0	112.6	Q553 F555	Q553-D557 PolarHBondContact NE2-OD1 2.97Å; Q553-D557 WeakPolarHBondContact O-CB 3.41Å; Q553-D557 PolarHBondContact O-N 2.96Å; F555-D557 VanDerWaalsContact C-N 3.27Å; F555-D557 PolarHBondContact O-N 3.03Å
558	N	93.8	Very high	95.8	Very high	104 Å²	104	51.2 Å²	51.2	56%	0.556	26%	0.255	S	S	*	.	H	α-helix	trans	-101.1	-23.6	-173.8	-72.8	-68.5	0	0	0	114.3	A554 F555 T556	A554-N558 PolarHBondContact O-N 3.44Å; A554-N558 PolarHBondContact O-ND2 3.01Å; F555-N558 PolarHBondContact O-N 3.26Å; T556-N558 VanDerWaalsContact C-N 3.34Å; T556-N558 PolarHBondContact O-N 2.98Å
559	Y	95.4	Very high	95.8	Very high	44 Å²	44	51.5 Å²	51.5	17%	0.173	26%	0.256	C	S	.	.	S	Bend	trans	-119.3	-89.3	-173.8	-52.8	-72.2	0	0	0	111.7	A102 R105 V106 E174 F555	A102-Y559 WeakPolarHBondContact CB-O 3.49Å; R105-Y559 HydrophobicContact CB-CD1 4.44Å; R105-Y559 HydrophobicContact CB-CE1 4.27Å; V106-Y559 HydrophobicContact CB-CD1 3.81Å; V106-Y559 HydrophobicContact CB-CE1 4.02Å; V106-Y559 HydrophobicContact CB-CG 4.22Å; V106-Y559 HydrophobicContact CG2-CD1 4.11Å; V106-Y559 HydrophobicContact CG2-CD2 4.22Å; V106-Y559 HydrophobicContact CG2-CE1 4.26Å; V106-Y559 HydrophobicContact CG2-CE2 4.37Å; V106-Y559 HydrophobicContact CG2-CG 4.09Å; E174-Y559 HydrophobicContact CB-CE2 3.99Å; E174-Y559 HydrophobicContact CG-CE2 4.22Å; F555-Y559 HydrophobicContact CB-CD2 4.41Å; F555-Y559 HydrophobicContact CD1-CD2 4.15Å; F555-Y559 AromaticContact CD2-CD2 3.69Å; F555-Y559 HydrophobicContact CD2-CD2 3.69Å; F555-Y559 HydrophobicContact CD2-CE2 4.06Å; F555-Y559 HydrophobicContact CE1-CD2 4.34Å; F555-Y559 AromaticContact CE2-CD2 3.93Å; F555-Y559 HydrophobicContact CE2-CD2 3.93Å; F555-Y559 HydrophobicContact CE2-CE2 4.41Å; F555-Y559 AromaticContact CG-CD2 3.82Å; F555-Y559 HydrophobicContact CG-CD2 3.82Å; F555-Y559 HydrophobicContact CG-CE2 4.48Å; F555-Y559 HydrophobicContact CZ-CD2 4.25Å; F555-Y559 VanDerWaalsContact O-CD2 3.28Å; F555-Y559 WeakPolarHBondContact O-CD2 3.45Å; F555-Y559 PolarHBondContact O-N 3.36Å
560	Y	95.8	Very high	95.8	Very high	13 Å²	13	51.3 Å²	51.3	5%	0.051	26%	0.255	C	S	.	.			trans	-152.7	160.5	-177	44.1	-93.5	0	0	0	111.8	A102 T103 T526 G528 L529 E544 F555 T556 F562	A102-Y560 HydrophobicContact CB-CD1 4.22Å; T103-Y560 HydrophobicContact CG2-CE1 4.42Å; T526-Y560 HydrophobicContact CG2-CD2 4.34Å; T526-Y560 HydrophobicContact CG2-CE2 4.18Å; G528-Y560 WeakPolarHBondContact O-CB 3.27Å; L529-Y560 HydrophobicContact CD2-CD2 4.42Å; L529-Y560 HydrophobicContact CD2-CE1 4.09Å; L529-Y560 HydrophobicContact CD2-CE2 3.87Å; E544-Y560 WeakPolarHBondContact OE2-CE2 3.48Å; E544-Y560 PolarHBondContact OE2-OH 2.83Å; F555-Y560 HydrophobicContact CE1-CD2 4.26Å; F555-Y560 HydrophobicContact CE1-CE1 4.49Å; F555-Y560 AromaticContact CE1-CE2 3.88Å; F555-Y560 HydrophobicContact CE1-CE2 3.88Å; F555-Y560 HydrophobicContact CZ-CE1 4.4Å; F555-Y560 HydrophobicContact CZ-CE2 4.15Å; F555-Y560 AromaticContact CZ-CZ 3.86Å; T556-Y560 WeakPolarHBondContact CA-O 3.22Å; Y560-F562 HydrophobicContact CD2-CE2 4.38Å; Y560-F562 HydrophobicContact CD2-CZ 4.07Å; Y560-F562 HydrophobicContact CE2-CE1 4.26Å; Y560-F562 HydrophobicContact CE2-CE2 4.44Å; Y560-F562 AromaticContact CE2-CZ 3.76Å; Y560-F562 HydrophobicContact CE2-CZ 3.76Å
561	N	96	Very high	95.6	Very high	108 Å²	108	54.6 Å²	54.6	58%	0.578	27%	0.27	S	S	*	.			trans	-91.4	161.5	-174.4	-73.8	-37.5	0	0	0	113
562	F	97.6	Very high	95.5	Very high	24 Å²	24	55.4 Å²	55.4	11%	0.105	27%	0.274	C	S	.	.			trans	-127.7	147.5	178.1	-60.7	-90.6	0	0	0	111.7	T526 E544 A549 P550 F555 T556 Y560 E566	T526-F562 HydrophobicContact CG2-CD1 3.63Å; T526-F562 HydrophobicContact CG2-CE1 3.38Å; T526-F562 HydrophobicContact CG2-CZ 4.34Å; E544-F562 HydrophobicContact CG-CE1 3.95Å; E544-F562 HydrophobicContact CG-CZ 4.12Å; E544-F562 WeakPolarHBondContact OE1-CE1 3.35Å; A549-F562 HydrophobicContact CB-CE2 4.24Å; A549-F562 HydrophobicContact CB-CZ 4.1Å; P550-F562 HydrophobicContact CB-CB 3.98Å; P550-F562 HydrophobicContact CB-CD1 4.28Å; P550-F562 HydrophobicContact CB-CD2 4.12Å; P550-F562 HydrophobicContact CB-CG 3.87Å; P550-F562 HydrophobicContact CG-CB 4.33Å; P550-F562 HydrophobicContact CG-CD1 3.71Å; P550-F562 HydrophobicContact CG-CD2 4.15Å; P550-F562 HydrophobicContact CG-CE1 3.93Å; P550-F562 HydrophobicContact CG-CE2 4.37Å; P550-F562 HydrophobicContact CG-CG 3.81Å; P550-F562 HydrophobicContact CG-CZ 4.26Å; F555-F562 AromaticContact CD1-CE2 3.82Å; F555-F562 HydrophobicContact CD1-CE2 3.82Å; F555-F562 HydrophobicContact CD1-CZ 4.37Å; F555-F562 AromaticContact CE1-CE2 3.63Å; F555-F562 HydrophobicContact CE1-CE2 3.63Å; F555-F562 AromaticContact CE1-CZ 3.76Å; F555-F562 HydrophobicContact CE1-CZ 3.76Å; F555-F562 HydrophobicContact CZ-CZ 4.48Å; T556-F562 HydrophobicContact CG2-CD2 3.86Å; T556-F562 HydrophobicContact CG2-CE2 4.24Å; Y560-F562 HydrophobicContact CD2-CE2 4.38Å; Y560-F562 HydrophobicContact CD2-CZ 4.07Å; Y560-F562 HydrophobicContact CE2-CE1 4.26Å; Y560-F562 HydrophobicContact CE2-CE2 4.44Å; Y560-F562 AromaticContact CE2-CZ 3.76Å; Y560-F562 HydrophobicContact CE2-CZ 3.76Å; F562-E566 VanDerWaalsContact CA-OE2 3.22Å; F562-E566 WeakPolarHBondContact CA-OE2 3.48Å; F562-E566 HydrophobicContact CB-CB 4.13Å; F562-E566 HydrophobicContact CD1-CB 4.32Å
563	T	97.7	Very high	95.6	Very high	51 Å²	51	55.3 Å²	55.3	31%	0.313	27%	0.273	S	S	.	.			trans	-74.4	169.3	173.6	69	0	0	0	0	112.4	E565 E566 K567	T563-E565 VanDerWaalsContact C-N 3.29Å; T563-E565 PolarHBondContact O-N 2.48Å; T563-E566 PolarHBondContact N-OE2 2.79Å; T563-E566 PolarHBondContact O-N 2.98Å; T563-E566 VanDerWaalsContact OG1-CG 3.3Å; T563-E566 WeakPolarHBondContact OG1-CG 3.41Å; T563-E566 PolarHBondContact OG1-N 3.18Å; T563-E566 VanDerWaalsContact OG1-N 3.11Å; T563-E566 PolarHBondContact OG1-OE2 3.33Å; T563-K567 PolarHBondContact O-N 2.79Å; T563-K567 VanDerWaalsContact O-N 3.13Å
564	L	96.8	Very high	95.7	Very high	101 Å²	101	49.8 Å²	49.8	53%	0.529	25%	0.248	S	C	.	.	H	α-helix	trans	-66.4	-35.6	174.7	-176.9	62.1	0	0	0	111.6	E566 K567 R568	L564-E566 VanDerWaalsContact C-N 3.34Å; L564-K567 WeakPolarHBondContact O-CB 3.37Å; L564-K567 PolarHBondContact O-N 3.5Å; L564-R568 PolarHBondContact O-N 3.35Å; L564-R568 VanDerWaalsContact O-N 3.16Å
565	E	97.4	Very high	95.8	Very high	84 Å²	84	50.7 Å²	50.7	39%	0.393	25%	0.245	S	C	.	.	H	α-helix	trans	-65.5	-38.8	175.9	-65.5	66.3	-148.3	0	0	110.8	T563 R568 L569 L665	T563-E565 VanDerWaalsContact C-N 3.29Å; T563-E565 PolarHBondContact O-N 2.48Å; E565-R568 WeakPolarHBondContact O-CB 3.39Å; E565-R568 PolarHBondContact O-N 3.34Å; E565-R568 VanDerWaalsContact O-N 3.14Å; E565-L569 PolarHBondContact O-N 3.44Å; E565-L665 HydrophobicContact CB-CD1 3.54Å; E565-L665 HydrophobicContact CB-CD2 4.02Å; E565-L665 HydrophobicContact CB-CG 4.43Å
566	E	98	Very high	95.8	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-66.9	-35.8	175.2	-75.5	169.6	159.8	0	0	112.4	H524 T526 S527 Y545 F562 T563 L564 R568 L569 S570 L665	H524-E566 IonicContact CD2-OE1 2.79Å; H524-E566 IonicContact CE1-OE1 2.76Å; H524-E566 WeakPolarHBondContact NE2-CG 3.43Å; H524-E566 IonicContact NE2-OE1 3.19Å; H524-E566 PolarHBondContact NE2-OE1 2.81Å; T526-E566 WeakPolarHBondContact CA-OE1 3.36Å; S527-E566 WeakPolarHBondContact CB-OE1 3.42Å; S527-E566 PolarHBondContact N-OE1 2.85Å; S527-E566 PolarHBondContact OG-OE1 2.78Å; S527-E566 PolarHBondContact OG-OE2 3.44Å; Y545-E566 HydrophobicContact CE1-CB 3.95Å; Y545-E566 HydrophobicContact CE1-CG 4.19Å; Y545-E566 WeakPolarHBondContact OH-CG 3.35Å; F562-E566 VanDerWaalsContact CA-OE2 3.22Å; F562-E566 WeakPolarHBondContact CA-OE2 3.48Å; F562-E566 HydrophobicContact CB-CB 4.13Å; F562-E566 HydrophobicContact CD1-CB 4.32Å; T563-E566 PolarHBondContact N-OE2 2.79Å; T563-E566 PolarHBondContact O-N 2.98Å; T563-E566 VanDerWaalsContact OG1-CG 3.3Å; T563-E566 WeakPolarHBondContact OG1-CG 3.41Å; T563-E566 PolarHBondContact OG1-N 3.18Å; T563-E566 VanDerWaalsContact OG1-N 3.11Å; T563-E566 PolarHBondContact OG1-OE2 3.33Å; L564-E566 VanDerWaalsContact C-N 3.34Å; E566-R568 VanDerWaalsContact C-N 3.3Å; E566-R568 PolarHBondContact O-N 3.4Å; E566-L569 PolarHBondContact O-N 3.39Å; E566-S570 PolarHBondContact O-N 3.1Å; E566-L665 HydrophobicContact CG-CD1 3.89Å
567	K	96.8	Very high	95.8	Very high	78 Å²	78	50 Å²	50	34%	0.339	24%	0.24	S	C	.	.	H	α-helix	trans	-60.6	-40.6	169.9	-68.8	-179	-171.4	-160.9	0	111.5	P550 F551 T563 L564 S570 E571	P550-K567 HydrophobicContact CB-CB 4.41Å; P550-K567 HydrophobicContact CB-CG 3.68Å; P550-K567 WeakPolarHBondContact O-CE 3.42Å; F551-K567 HydrophobicContact CE1-CB 4Å; F551-K567 HydrophobicContact CE1-CG 4.34Å; F551-K567 HydrophobicContact CZ-CB 4.09Å; F551-K567 WeakPolarHBondContact CZ-O 3.49Å; T563-K567 PolarHBondContact O-N 2.79Å; T563-K567 VanDerWaalsContact O-N 3.13Å; L564-K567 WeakPolarHBondContact O-CB 3.37Å; L564-K567 PolarHBondContact O-N 3.5Å; K567-S570 PolarHBondContact O-N 3.36Å; K567-E571 PolarHBondContact O-N 3.25Å
568	R	95.4	Very high	95.9	Very high	144 Å²	144	44.9 Å²	44.9	54%	0.543	21%	0.213	S	C	.	.	H	α-helix	trans	-66.4	-42.3	176.4	-66.8	174.5	-175.7	152	2.2	111.8	L564 E565 E566 S570 E571 E572	L564-R568 PolarHBondContact O-N 3.35Å; L564-R568 VanDerWaalsContact O-N 3.16Å; E565-R568 WeakPolarHBondContact O-CB 3.39Å; E565-R568 PolarHBondContact O-N 3.34Å; E565-R568 VanDerWaalsContact O-N 3.14Å; E566-R568 VanDerWaalsContact C-N 3.3Å; E566-R568 PolarHBondContact O-N 3.4Å; R568-S570 VanDerWaalsContact C-N 3.33Å; R568-S570 PolarHBondContact O-N 2.86Å; R568-E571 PolarHBondContact O-N 3.47Å; R568-E572 PolarHBondContact O-N 3.49Å
569	L	96.2	Very high	95.9	Very high	5 Å²	5	40.1 Å²	40.1	3%	0.026	19%	0.188	C	C	.	.	H	α-helix	trans	-60.5	-43.1	174.9	-179.8	61.5	0	0	0	111.4	F522 H524 Y545 E565 E566 E571 E572 M573 F663 L665	F522-L569 HydrophobicContact CE2-CD2 4.41Å; H524-L569 HydrophobicContact CB-CD2 3.81Å; Y545-L569 HydrophobicContact CD1-CB 4.3Å; Y545-L569 HydrophobicContact CD1-CD2 4.13Å; Y545-L569 HydrophobicContact CD1-CG 4.08Å; Y545-L569 HydrophobicContact CE1-CB 4.35Å; Y545-L569 HydrophobicContact CE1-CD2 3.93Å; Y545-L569 HydrophobicContact CE1-CG 4.29Å; E565-L569 PolarHBondContact O-N 3.44Å; E566-L569 PolarHBondContact O-N 3.39Å; L569-E571 PolarHBondContact O-N 3.03Å; L569-E572 WeakPolarHBondContact O-CB 3.08Å; L569-E572 PolarHBondContact O-N 2.85Å; L569-M573 HydrophobicContact CD1-CG 4.3Å; L569-M573 HydrophobicContact CD1-SD 4.27Å; L569-M573 HydrophobicContact CG-SD 4.11Å; L569-M573 WeakPolarHBondContact O-CG 3.21Å; L569-M573 PolarHBondContact O-N 3.34Å; L569-F663 HydrophobicContact CD1-CB 4.4Å; L569-F663 HydrophobicContact CD1-CD1 4.22Å; L569-L665 HydrophobicContact CB-CD2 4.16Å; L569-L665 HydrophobicContact CD2-CG 4.32Å
570	S	96.8	Very high	95.9	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-62.1	-42	175.7	173.4	0	0	0	0	112.1	Y545 F551 E566 K567 R568 E572 M573 M574	Y545-S570 WeakPolarHBondContact O-CB 3.39Å; Y545-S570 PolarHBondContact O-OG 2.9Å; F551-S570 WeakPolarHBondContact CE2-OG 3.39Å; E566-S570 PolarHBondContact O-N 3.1Å; K567-S570 PolarHBondContact O-N 3.36Å; R568-S570 VanDerWaalsContact C-N 3.33Å; R568-S570 PolarHBondContact O-N 2.86Å; S570-E572 VanDerWaalsContact C-N 3.34Å; S570-E572 PolarHBondContact O-N 3.01Å; S570-M573 PolarHBondContact O-N 3.4Å; S570-M574 VanDerWaalsContact O-CB 3.29Å; S570-M574 WeakPolarHBondContact O-CB 3.49Å; S570-M574 VanDerWaalsContact O-CG 3.28Å; S570-M574 WeakPolarHBondContact O-CG 3.35Å; S570-M574 PolarHBondContact O-N 3.4Å
571	E	94	Very high	95.8	Very high	71 Å²	71	37.4 Å²	37.4	33%	0.332	18%	0.177	S	C	.	.	H	α-helix	trans	-62.1	-41.5	175.3	-170.1	158.1	-120.7	0	0	112.2	K184 M185 F551 K567 R568 L569 Q575	K184-E571 IonicContact NZ-OE1 3.73Å; K184-E571 PolarHBondContact NZ-OE1 3.34Å; M185-E571 HydrophobicContact CE-CG 4.25Å; M185-E571 WeakPolarHBondContact CE-O 3Å; F551-E571 HydrophobicContact CZ-CB 4.17Å; K567-E571 PolarHBondContact O-N 3.25Å; R568-E571 PolarHBondContact O-N 3.47Å; L569-E571 PolarHBondContact O-N 3.03Å; E571-Q575 WeakPolarHBondContact O-CB 3.29Å; E571-Q575 PolarHBondContact O-N 3.3Å
572	E	93.3	Very high	95.7	Very high	49 Å²	49	34.3 Å²	34.3	23%	0.229	16%	0.164	C	C	.	.	H	α-helix	trans	-62.1	-49.4	174.8	-176.8	-179.4	97.7	0	0	112	R568 L569 S570 Q575 F576 L600 S668	R568-E572 PolarHBondContact O-N 3.49Å; L569-E572 WeakPolarHBondContact O-CB 3.08Å; L569-E572 PolarHBondContact O-N 2.85Å; S570-E572 VanDerWaalsContact C-N 3.34Å; S570-E572 PolarHBondContact O-N 3.01Å; E572-Q575 WeakPolarHBondContact O-CB 3.35Å; E572-Q575 PolarHBondContact O-N 2.8Å; E572-F576 HydrophobicContact CG-CD2 3.89Å; E572-F576 HydrophobicContact CG-CE2 3.52Å; E572-F576 VanDerWaalsContact O-CD2 3.31Å; E572-F576 WeakPolarHBondContact O-CD2 3.3Å; E572-F576 PolarHBondContact O-N 2.86Å; E572-L600 HydrophobicContact CG-CD2 4.47Å; E572-L600 WeakPolarHBondContact OE2-CD2 3.27Å; E572-S668 WeakPolarHBondContact OE1-CB 3.12Å; E572-S668 PolarHBondContact OE1-OG 3.12Å
573	M	96.1	Very high	95.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64.4	-46.6	179.4	-71.1	178.9	69.1	0	0	111.8	F522 E542 Y545 I546 L569 S570 Q575 F576 W577 F663	F522-M573 HydrophobicContact CD2-CE 3.89Å; F522-M573 HydrophobicContact CD2-SD 4.05Å; F522-M573 HydrophobicContact CE2-CE 4.1Å; F522-M573 HydrophobicContact CE2-SD 3.85Å; E542-M573 HydrophobicContact CB-CE 4.23Å; Y545-M573 WeakPolarHBondContact CB-SD 3.48Å; Y545-M573 HydrophobicContact CG-SD 4Å; I546-M573 HydrophobicContact CD1-CE 4.41Å; I546-M573 HydrophobicContact CG1-CE 4Å; L569-M573 HydrophobicContact CD1-CG 4.3Å; L569-M573 HydrophobicContact CD1-SD 4.27Å; L569-M573 HydrophobicContact CG-SD 4.11Å; L569-M573 WeakPolarHBondContact O-CG 3.21Å; L569-M573 PolarHBondContact O-N 3.34Å; S570-M573 PolarHBondContact O-N 3.4Å; M573-Q575 PolarHBondContact O-N 2.89Å; M573-F576 PolarHBondContact O-N 3.2Å; M573-F576 VanDerWaalsContact O-N 3.17Å; M573-W577 HydrophobicContact CB-CE3 4.34Å; M573-W577 HydrophobicContact CB-CZ3 4.23Å; M573-W577 HydrophobicContact CE-CH2 3.91Å; M573-W577 HydrophobicContact CE-CZ3 4.11Å; M573-W577 HydrophobicContact CG-CZ3 4.38Å; M573-W577 PolarHBondContact O-N 3.39Å; M573-F663 HydrophobicContact CG-CD1 3.73Å; M573-F663 HydrophobicContact CG-CE1 3.87Å; M573-F663 HydrophobicContact CG-CG 4.15Å; M573-F663 HydrophobicContact CG-CZ 4.38Å; M573-F663 HydrophobicContact SD-CB 4.44Å; M573-F663 HydrophobicContact SD-CD1 4.41Å; M573-F663 HydrophobicContact SD-CG 4.32Å
574	M	96	Very high	95	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-55.8	-39.1	174.9	-78.4	-165.8	-68.6	0	0	111.7	L181 K184 M185 Y545 I546 F551 S570 T578	L181-M574 HydrophobicContact CD1-CB 4.1Å; L181-M574 HydrophobicContact CD1-CG 3.87Å; L181-M574 HydrophobicContact CD1-SD 4.05Å; K184-M574 HydrophobicContact CD-CE 3.74Å; M185-M574 HydrophobicContact CE-CB 3.31Å; M185-M574 HydrophobicContact CE-CE 4.08Å; M185-M574 HydrophobicContact CE-CG 4.46Å; M185-M574 HydrophobicContact CG-CB 3.87Å; M185-M574 HydrophobicContact SD-CB 4.35Å; Y545-M574 WeakPolarHBondContact O-CG 3.39Å; I546-M574 VanDerWaalsContact O-CG 3.24Å; I546-M574 WeakPolarHBondContact O-CG 3.5Å; F551-M574 HydrophobicContact CD2-CE 3.68Å; F551-M574 HydrophobicContact CE2-CE 3.34Å; F551-M574 HydrophobicContact CZ-CE 4.39Å; S570-M574 VanDerWaalsContact O-CB 3.29Å; S570-M574 WeakPolarHBondContact O-CB 3.49Å; S570-M574 VanDerWaalsContact O-CG 3.28Å; S570-M574 WeakPolarHBondContact O-CG 3.35Å; S570-M574 PolarHBondContact O-N 3.4Å; M574-T578 WeakPolarHBondContact O-CB 3.37Å; M574-T578 VanDerWaalsContact O-CG2 3.26Å; M574-T578 WeakPolarHBondContact O-CG2 3.37Å; M574-T578 PolarHBondContact O-N 3.31Å; M574-T578 PolarHBondContact O-OG1 2.92Å
575	Q	93.6	Very high	94.8	Very high	58 Å²	58	29.2 Å²	29.2	27%	0.271	14%	0.14	S	C	.	.	H	α-helix	trans	-66	-47.5	178.4	-171.2	68.9	61.5	0	0	110.9	M185 E571 E572 M573 W577 T578 N579 T595	M185-Q575 HydrophobicContact CE-CB 4.23Å; E571-Q575 WeakPolarHBondContact O-CB 3.29Å; E571-Q575 PolarHBondContact O-N 3.3Å; E572-Q575 WeakPolarHBondContact O-CB 3.35Å; E572-Q575 PolarHBondContact O-N 2.8Å; M573-Q575 PolarHBondContact O-N 2.89Å; Q575-W577 PolarHBondContact O-N 3.19Å; Q575-T578 PolarHBondContact O-N 3.26Å; Q575-T578 PolarHBondContact O-OG1 2.84Å; Q575-N579 PolarHBondContact NE2-OD1 3.15Å; Q575-N579 VanDerWaalsContact O-CB 3.23Å; Q575-N579 WeakPolarHBondContact O-CB 3.4Å; Q575-N579 PolarHBondContact O-N 2.75Å; Q575-N579 PolarHBondContact O-ND2 3.28Å; Q575-N579 PolarHBondContact O-OD1 3.03Å; Q575-T595 HydrophobicContact CG-CG2 4.5Å
576	F	94.9	Very high	94.6	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.018	12%	0.121	C	C	.	.	H	α-helix	trans	-61.2	-45.1	178.3	-76.2	-54.8	0	0	0	112.7	E572 M573 T578 F580 P586 L600 W602 M661 F663	E572-F576 HydrophobicContact CG-CD2 3.89Å; E572-F576 HydrophobicContact CG-CE2 3.52Å; E572-F576 VanDerWaalsContact O-CD2 3.31Å; E572-F576 WeakPolarHBondContact O-CD2 3.3Å; E572-F576 PolarHBondContact O-N 2.86Å; M573-F576 PolarHBondContact O-N 3.2Å; M573-F576 VanDerWaalsContact O-N 3.17Å; F576-T578 VanDerWaalsContact C-N 3.34Å; F576-T578 PolarHBondContact O-N 2.93Å; F576-F580 WeakPolarHBondContact O-CB 3.47Å; F576-F580 PolarHBondContact O-N 3.1Å; F576-P586 HydrophobicContact CB-CB 4.16Å; F576-P586 HydrophobicContact CD1-CB 3.82Å; F576-P586 VanDerWaalsContact CD1-O 3.32Å; F576-P586 WeakPolarHBondContact CD1-O 3.47Å; F576-P586 HydrophobicContact CG-CB 4.4Å; F576-L600 HydrophobicContact CE2-CD2 3.92Å; F576-L600 HydrophobicContact CZ-CD2 3.84Å; F576-L600 HydrophobicContact CZ-CG 4.28Å; F576-W602 HydrophobicContact CB-CE3 4.2Å; F576-W602 HydrophobicContact CB-CZ3 3.91Å; F576-W602 AromaticContact CD1-CE3 3.85Å; F576-W602 HydrophobicContact CD1-CE3 3.85Å; F576-W602 HydrophobicContact CD1-CZ3 4.41Å; F576-W602 HydrophobicContact CD2-CE3 4.28Å; F576-W602 HydrophobicContact CD2-CZ3 4.38Å; F576-W602 HydrophobicContact CE1-CB 4.44Å; F576-W602 HydrophobicContact CE1-CE3 4.22Å; F576-W602 AromaticContact CG-CE3 3.88Å; F576-W602 HydrophobicContact CG-CE3 3.88Å; F576-W602 HydrophobicContact CG-CZ3 4.02Å; F576-M661 HydrophobicContact CE2-CE 4.44Å; F576-M661 HydrophobicContact CZ-CE 4.07Å; F576-F663 AromaticContact CD2-CE1 3.57Å; F576-F663 HydrophobicContact CD2-CE1 3.57Å; F576-F663 AromaticContact CD2-CZ 3.65Å; F576-F663 HydrophobicContact CD2-CZ 3.65Å; F576-F663 AromaticContact CE2-CE1 3.78Å; F576-F663 HydrophobicContact CE2-CE1 3.78Å; F576-F663 HydrophobicContact CE2-CZ 4.13Å; F576-F663 HydrophobicContact CG-CZ 4.41Å
577	W	96.8	Very high	94.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62.4	-41.9	178.9	-95.3	-115.9	0	0	0	111.9	M158 I268 M400 Y520 I546 M573 Q575 F580 A581 W602 F663	M158-W577 HydrophobicContact CE-CB 4.19Å; I268-W577 VanDerWaalsContact CD1-CD1 3.49Å; I268-W577 HydrophobicContact CD1-CG 4.14Å; M400-W577 HydrophobicContact CE-CD2 3.41Å; M400-W577 VanDerWaalsContact CE-CD2 3.41Å; M400-W577 HydrophobicContact CE-CE3 3.82Å; M400-W577 HydrophobicContact CE-CG 3.77Å; M400-W577 HydrophobicContact CE-CH2 4.24Å; M400-W577 HydrophobicContact CE-CZ2 3.83Å; M400-W577 HydrophobicContact CE-CZ3 4.24Å; Y520-W577 HydrophobicContact CD1-CH2 4.09Å; Y520-W577 HydrophobicContact CD1-CZ2 4.4Å; Y520-W577 HydrophobicContact CD2-CH2 4.41Å; Y520-W577 AromaticContact CE1-CH2 3.83Å; Y520-W577 HydrophobicContact CE1-CH2 3.83Å; Y520-W577 AromaticContact CE1-CZ2 3.72Å; Y520-W577 HydrophobicContact CE1-CZ2 3.72Å; Y520-W577 HydrophobicContact CE2-CH2 4.19Å; Y520-W577 HydrophobicContact CE2-CZ2 4.44Å; Y520-W577 HydrophobicContact CG-CH2 4.39Å; Y520-W577 AromaticContact CZ-CH2 3.89Å; Y520-W577 AromaticContact CZ-CZ2 3.75Å; I546-W577 HydrophobicContact CD1-CD2 4.26Å; I546-W577 VanDerWaalsContact CD1-CE2 3.42Å; I546-W577 HydrophobicContact CD1-CH2 4.3Å; I546-W577 HydrophobicContact CD1-CZ2 3.46Å; I546-W577 VanDerWaalsContact CD1-CZ2 3.46Å; I546-W577 HydrophobicContact CG1-CD2 4.02Å; I546-W577 HydrophobicContact CG1-CG 4.38Å; I546-W577 HydrophobicContact CG1-CZ2 3.98Å; I546-W577 HydrophobicContact CG2-CB 4.49Å; I546-W577 HydrophobicContact CG2-CD2 4.47Å; I546-W577 HydrophobicContact CG2-CG 3.96Å; M573-W577 HydrophobicContact CB-CE3 4.34Å; M573-W577 HydrophobicContact CB-CZ3 4.23Å; M573-W577 HydrophobicContact CE-CH2 3.91Å; M573-W577 HydrophobicContact CE-CZ3 4.11Å; M573-W577 HydrophobicContact CG-CZ3 4.38Å; M573-W577 PolarHBondContact O-N 3.39Å; Q575-W577 PolarHBondContact O-N 3.19Å; W577-F580 PolarHBondContact O-N 2.85Å; W577-A581 PolarHBondContact O-N 2.98Å; W577-W602 HydrophobicContact CZ3-CZ3 4.44Å; W577-F663 AromaticContact CH2-CE2 3.94Å; W577-F663 HydrophobicContact CH2-CE2 3.94Å; W577-F663 AromaticContact CZ3-CE2 3.68Å; W577-F663 HydrophobicContact CZ3-CE2 3.68Å; W577-F663 AromaticContact CZ3-CZ 3.83Å; W577-F663 HydrophobicContact CZ3-CZ 3.83Å
578	T	95.2	Very high	92.8	Very high	3 Å²	3	24.8 Å²	24.8	2%	0.018	12%	0.123	C	C	.	.	H	α-helix	trans	-80.4	-30.5	-177.1	55.6	0	0	0	0	112.6	M158 L181 M185 V187 M574 Q575 F576 F580 A581 S582	M158-T578 HydrophobicContact SD-CG2 3.71Å; L181-T578 HydrophobicContact CD1-CG2 3.58Å; L181-T578 HydrophobicContact CG-CG2 4.4Å; M185-T578 HydrophobicContact CB-CG2 3.53Å; M185-T578 HydrophobicContact CG-CG2 3.89Å; V187-T578 HydrophobicContact CG1-CG2 3.81Å; V187-T578 HydrophobicContact CG2-CG2 3.96Å; M574-T578 WeakPolarHBondContact O-CB 3.37Å; M574-T578 VanDerWaalsContact O-CG2 3.26Å; M574-T578 WeakPolarHBondContact O-CG2 3.37Å; M574-T578 PolarHBondContact O-N 3.31Å; M574-T578 PolarHBondContact O-OG1 2.92Å; Q575-T578 PolarHBondContact O-N 3.26Å; Q575-T578 PolarHBondContact O-OG1 2.84Å; F576-T578 VanDerWaalsContact C-N 3.34Å; F576-T578 PolarHBondContact O-N 2.93Å; T578-F580 VanDerWaalsContact C-N 3.33Å; T578-A581 PolarHBondContact O-N 3.37Å; T578-S582 VanDerWaalsContact O-CB 3.22Å; T578-S582 WeakPolarHBondContact O-CB 3.24Å; T578-S582 PolarHBondContact O-N 3.43Å; T578-S582 PolarHBondContact O-OG 3.35Å
579	N	93.7	Very high	90.7	Very high	5 Å²	5	22.9 Å²	22.9	3%	0.027	12%	0.123	C	C	.	.	H	α-helix	trans	-61.1	-44.9	167.8	-73.4	-4.9	0	0	0	111.5	Q575 S582 T583 S585 P586 L588	Q575-N579 PolarHBondContact NE2-OD1 3.15Å; Q575-N579 VanDerWaalsContact O-CB 3.23Å; Q575-N579 WeakPolarHBondContact O-CB 3.4Å; Q575-N579 PolarHBondContact O-N 2.75Å; Q575-N579 PolarHBondContact O-ND2 3.28Å; Q575-N579 PolarHBondContact O-OD1 3.03Å; N579-S582 CarbonylContact O-C 3.55Å; N579-S582 WeakPolarHBondContact O-CA 3.3Å; N579-S582 WeakPolarHBondContact O-CB 3.4Å; N579-S582 PolarHBondContact O-N 2.98Å; N579-S582 VanDerWaalsContact O-N 3.11Å; N579-T583 PolarHBondContact O-N 3.01Å; N579-T583 PolarHBondContact O-OG1 3.48Å; N579-S585 CarbonylContact C-O 3.48Å; N579-S585 VanDerWaalsContact O-O 3.1Å; N579-P586 WeakPolarHBondContact CB-O 3.37Å; N579-P586 PolarHBondContact ND2-O 3.02Å; N579-L588 HydrophobicContact CB-CG 4.27Å; N579-L588 VanDerWaalsContact CG-CG 3.46Å; N579-L588 WeakPolarHBondContact OD1-CD1 3.39Å; N579-L588 VanDerWaalsContact OD1-CG 3.31Å; N579-L588 WeakPolarHBondContact OD1-CG 3.37Å
580	F	95.2	Very high	87.9	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-58.9	-55.2	175.2	179.9	-98.6	0	0	0	109.5	T240 Q266 A267 I268 R398 I399 M400 F518 F576 W577 T578 S582 T583 G584 S585	T240-F580 HydrophobicContact CG2-CD1 4.25Å; T240-F580 HydrophobicContact CG2-CE1 4.19Å; Q266-F580 HydrophobicContact CB-CE1 3.87Å; Q266-F580 HydrophobicContact CB-CZ 4.18Å; Q266-F580 PolarHBondContact NE2-O 3.15Å; Q266-F580 VanDerWaalsContact OE1-CE1 3.31Å; Q266-F580 PolarHBondContact OE1-O 2.83Å; A267-F580 WeakPolarHBondContact O-CE1 3.2Å; I268-F580 HydrophobicContact CD1-CD1 3.89Å; I268-F580 HydrophobicContact CD1-CE1 4.38Å; I268-F580 HydrophobicContact CG1-CD1 3.66Å; I268-F580 HydrophobicContact CG1-CE1 3.66Å; R398-F580 HydrophobicContact CB-CE2 4.21Å; R398-F580 HydrophobicContact CB-CZ 4.17Å; R398-F580 WeakPolarHBondContact O-CZ 3.36Å; I399-F580 VanDerWaalsContact C-CZ 3.47Å; M400-F580 HydrophobicContact CB-CD1 4.3Å; M400-F580 HydrophobicContact CB-CD2 4.25Å; M400-F580 HydrophobicContact CB-CE1 4.1Å; M400-F580 HydrophobicContact CB-CE2 4.06Å; M400-F580 HydrophobicContact CB-CG 4.35Å; M400-F580 HydrophobicContact CB-CZ 3.99Å; F518-F580 HydrophobicContact CD2-CD2 4.26Å; F518-F580 HydrophobicContact CD2-CE2 4.08Å; F518-F580 HydrophobicContact CE2-CE2 4.49Å; F576-F580 WeakPolarHBondContact O-CB 3.47Å; F576-F580 PolarHBondContact O-N 3.1Å; W577-F580 PolarHBondContact O-N 2.85Å; T578-F580 VanDerWaalsContact C-N 3.33Å; F580-S582 PolarHBondContact O-N 3.01Å; F580-T583 PolarHBondContact O-N 3.06Å; F580-T583 VanDerWaalsContact O-N 3.12Å; F580-G584 WeakPolarHBondContact CD2-O 3.29Å; F580-G584 VanDerWaalsContact CE2-O 3.29Å; F580-G584 WeakPolarHBondContact CE2-O 3.37Å; F580-G584 WeakPolarHBondContact O-CA 3.25Å; F580-G584 PolarHBondContact O-N 3.32Å; F580-S585 VanDerWaalsContact CA-O 3.32Å; F580-S585 WeakPolarHBondContact CA-O 3.31Å; F580-S585 PolarHBondContact N-O 3.41Å; F580-S585 VanDerWaalsContact N-O 3.14Å
581	A	95.3	Very high	85.2	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-54.1	-32.9	175.5	0	0	0	0	0	113.3	P156 M158 Q238 T240 W577 T578	P156-A581 HydrophobicContact CB-CB 4.27Å; M158-A581 HydrophobicContact CG-CB 3.67Å; M158-A581 HydrophobicContact SD-CB 3.96Å; Q238-A581 PolarHBondContact NE2-O 2.91Å; T240-A581 HydrophobicContact CG2-CB 4.25Å; T240-A581 VanDerWaalsContact OG1-CA 3.32Å; T240-A581 WeakPolarHBondContact OG1-CA 3.39Å; W577-A581 PolarHBondContact O-N 2.98Å; T578-A581 PolarHBondContact O-N 3.37Å
582	S	92	Very high	82.7	Confident	43 Å²	43	34.1 Å²	34.1	30%	0.301	20%	0.203	S	C	.	.	H	α-helix	trans	-74.2	-40.7	179.7	-62.3	0	0	0	0	114.4	P156 Q238 T578 N579 F580	P156-S582 VanDerWaalsContact CG-OG 3.22Å; P156-S582 WeakPolarHBondContact CG-OG 3.16Å; Q238-S582 VanDerWaalsContact NE2-C 3.25Å; Q238-S582 PolarHBondContact NE2-O 3.05Å; T578-S582 VanDerWaalsContact O-CB 3.22Å; T578-S582 WeakPolarHBondContact O-CB 3.24Å; T578-S582 PolarHBondContact O-N 3.43Å; T578-S582 PolarHBondContact O-OG 3.35Å; N579-S582 CarbonylContact O-C 3.55Å; N579-S582 WeakPolarHBondContact O-CA 3.3Å; N579-S582 WeakPolarHBondContact O-CB 3.4Å; N579-S582 PolarHBondContact O-N 2.98Å; N579-S582 VanDerWaalsContact O-N 3.11Å; F580-S582 PolarHBondContact O-N 3.01Å
583	T	90.7	Very high	80.1	Confident	43 Å²	43	38.1 Å²	38.1	26%	0.264	22%	0.22	S	C	.	.	H	α-helix	trans	-129.9	-20.7	-163.9	66	0	0	0	0	113.7	N579 F580 S585 L588	N579-T583 PolarHBondContact O-N 3.01Å; N579-T583 PolarHBondContact O-OG1 3.48Å; F580-T583 PolarHBondContact O-N 3.06Å; F580-T583 VanDerWaalsContact O-N 3.12Å; T583-S585 VanDerWaalsContact C-N 3.35Å; T583-S585 PolarHBondContact OG1-N 3.01Å; T583-S585 VanDerWaalsContact OG1-N 3.07Å; T583-S585 PolarHBondContact OG1-O 2.92Å; T583-L588 HydrophobicContact CG2-CD2 4.24Å
584	G	90.8	Very high	77.4	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.256	C	S	.	.	S	Bend	trans	92.3	-5.5	-166.9	0	0	0	0	0	114.9	Q266 Q516 F518 F580	Q266-G584 VanDerWaalsContact NE2-N 3.19Å; Q516-G584 PolarHBondContact OE1-O 2.79Å; F518-G584 WeakPolarHBondContact CE2-O 3.34Å; F580-G584 WeakPolarHBondContact CD2-O 3.29Å; F580-G584 VanDerWaalsContact CE2-O 3.29Å; F580-G584 WeakPolarHBondContact CE2-O 3.37Å; F580-G584 WeakPolarHBondContact O-CA 3.25Å; F580-G584 PolarHBondContact O-N 3.32Å
585	S	92.2	Very high	74.9	Confident	25 Å²	25	48.2 Å²	48.2	18%	0.175	27%	0.27	C	S	.	.	S	Bend	trans	-124.7	135.6	177.7	165.6	0	0	0	0	109.2	N579 F580 T583 N587	N579-S585 CarbonylContact C-O 3.48Å; N579-S585 VanDerWaalsContact O-O 3.1Å; F580-S585 VanDerWaalsContact CA-O 3.32Å; F580-S585 WeakPolarHBondContact CA-O 3.31Å; F580-S585 PolarHBondContact N-O 3.41Å; F580-S585 VanDerWaalsContact N-O 3.14Å; T583-S585 VanDerWaalsContact C-N 3.35Å; T583-S585 PolarHBondContact OG1-N 3.01Å; T583-S585 VanDerWaalsContact OG1-N 3.07Å; T583-S585 PolarHBondContact OG1-O 2.92Å; S585-N587 WeakPolarHBondContact CB-O 3.28Å; S585-N587 PolarHBondContact O-N 3.24Å; S585-N587 PolarHBondContact OG-N 3.22Å; S585-N587 VanDerWaalsContact OG-N 3.09Å; S585-N587 PolarHBondContact OG-O 3.02Å
586	P	93	Very high	72.7	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.301	C	S	.	.	S	Bend	trans	-65.8	-24.4	172.5	29.7	-33.9	0	0	0	111.3	F518 F576 N579 W602	F518-P586 HydrophobicContact CB-CG 4.35Å; F518-P586 HydrophobicContact CD1-CG 3.54Å; F518-P586 HydrophobicContact CD2-CG 4.28Å; F518-P586 VanDerWaalsContact CE1-CD 3.45Å; F518-P586 HydrophobicContact CE1-CG 3.82Å; F518-P586 VanDerWaalsContact CE2-CD 3.49Å; F518-P586 HydrophobicContact CG-CG 3.79Å; F518-P586 VanDerWaalsContact CZ-CD 3.43Å; F518-P586 HydrophobicContact CZ-CG 4.31Å; F576-P586 HydrophobicContact CB-CB 4.16Å; F576-P586 HydrophobicContact CD1-CB 3.82Å; F576-P586 VanDerWaalsContact CD1-O 3.32Å; F576-P586 WeakPolarHBondContact CD1-O 3.47Å; F576-P586 HydrophobicContact CG-CB 4.4Å; N579-P586 WeakPolarHBondContact CB-O 3.37Å; N579-P586 PolarHBondContact ND2-O 3.02Å; P586-W602 HydrophobicContact CB-CD2 4.08Å; P586-W602 HydrophobicContact CB-CE3 3.53Å; P586-W602 HydrophobicContact CB-CZ3 3.94Å; P586-W602 HydrophobicContact CG-CB 3.96Å; P586-W602 HydrophobicContact CG-CD2 3.68Å; P586-W602 HydrophobicContact CG-CE3 3.68Å; P586-W602 HydrophobicContact CG-CG 3.84Å; P586-W602 HydrophobicContact CG-CZ3 4.35Å
587	N	87.8	Confident	70.5	Confident	16 Å²	16	59.2 Å²	59.2	9%	0.086	31%	0.313	C	S	.	.	S	Bend	trans	-86.1	125.8	172.4	-44.7	-66.8	0	0	0	109.6	S585 Y601 W602	S585-N587 WeakPolarHBondContact CB-O 3.28Å; S585-N587 PolarHBondContact O-N 3.24Å; S585-N587 PolarHBondContact OG-N 3.22Å; S585-N587 VanDerWaalsContact OG-N 3.09Å; S585-N587 PolarHBondContact OG-O 3.02Å; N587-Y601 HydrophobicContact CB-CD2 4.13Å; N587-Y601 HydrophobicContact CB-CE2 3.91Å; N587-W602 PolarHBondContact ND2-O 2.8Å; N587-W602 WeakPolarHBondContact OD1-CB 3.44Å; N587-W602 PolarHBondContact OD1-N 2.95Å
588	L	69.1	Low	68.4	Low	55 Å²	55	66.9 Å²	66.9	29%	0.288	35%	0.346	S	S	.	.			trans	-66.3	148	168.2	-92.4	159	0	0	0	110.6	N579 T583	N579-L588 HydrophobicContact CB-CG 4.27Å; N579-L588 VanDerWaalsContact CG-CG 3.46Å; N579-L588 WeakPolarHBondContact OD1-CD1 3.39Å; N579-L588 VanDerWaalsContact OD1-CG 3.31Å; N579-L588 WeakPolarHBondContact OD1-CG 3.37Å; T583-L588 HydrophobicContact CG2-CD2 4.24Å
589	N	52.3	Low	66.6	Low	104 Å²	104	73.4 Å²	73.4	56%	0.556	38%	0.377	S	S	*	.			trans	-42.7	148.8	-175.3	-70.8	-46.5	0	0	0	114.9	G591 E592	N589-G591 PolarHBondContact O-N 3.27Å; N589-E592 PolarHBondContact O-N 3.12Å
590	P	38.1	Very low	65.7	Low	140 Å²	140	73.9 Å²	73.9	91%	0.909	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	93.7	-176.5	26.7	-34.7	0	0	0	110.6
591	G	39.8	Very low	65.1	Low	58 Å²	58	80.7 Å²	80.7	60%	0.598	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	157.3	-32.4	-176.5	0	0	0	0	0	113.5	N589 F593	N589-G591 PolarHBondContact O-N 3.27Å; G591-F593 PolarHBondContact O-N 2.72Å
592	E	41	Very low	64.9	Low	113 Å²	113	80.7 Å²	80.7	53%	0.528	41%	0.406	S	S	.	.			trans	-97.3	77.1	178	-71.5	-171.5	164.9	0	0	111.1	N589 H594	N589-E592 PolarHBondContact O-N 3.12Å; E592-H594 PolarHBondContact O-N 3.5Å
593	F	38.9	Very low	64.7	Low	134 Å²	134	80.7 Å²	80.7	59%	0.588	40%	0.402	S	S	*	.			trans	-70.1	46.6	170	-66.4	-83.2	0	0	0	112.6	G591 K598	G591-F593 PolarHBondContact O-N 2.72Å; F593-K598 HydrophobicContact CB-CG 4.41Å; F593-K598 HydrophobicContact CD1-CB 4.46Å; F593-K598 HydrophobicContact CD1-CD 4.18Å; F593-K598 HydrophobicContact CD1-CG 3.9Å
594	H	38.6	Very low	64.6	Low	164 Å²	164	84.3 Å²	84.3	76%	0.759	41%	0.411	S	S	*	.			trans	-99.8	7.5	178.1	-72.7	-52.7	0	0	0	114.1	E592 R596	E592-H594 PolarHBondContact O-N 3.5Å; H594-R596 PolarHBondContact O-N 2.88Å
595	T	44.5	Very low	64.7	Low	48 Å²	48	84.5 Å²	84.5	29%	0.294	41%	0.412	S	S	.	.	S	Bend	trans	-71.2	125.8	147.4	58.6	0	0	0	0	106.3	Q575 N597	Q575-T595 HydrophobicContact CG-CG2 4.5Å; T595-N597 PolarHBondContact O-N 3.3Å
596	R	46.4	Very low	64.5	Low	244 Å²	244	87.9 Å²	87.9	92%	0.921	43%	0.425	S	S	*	.	S	Bend	trans	-57.4	-6.3	178.4	-78.1	-178.3	178.3	174.3	0.6	113.5	H594	H594-R596 PolarHBondContact O-N 2.88Å
597	N	49.7	Very low	64	Low	49 Å²	49	89.3 Å²	89.3	26%	0.262	43%	0.434	S	S	.	.			trans	-123.9	91.9	-176.8	-152.5	-8.8	0	0	0	110.5	T595 E599 L600	T595-N597 PolarHBondContact O-N 3.3Å; N597-E599 PolarHBondContact O-N 2.95Å; N597-L600 PolarHBondContact O-N 3.23Å
598	K	51.2	Low	62.9	Low	161 Å²	161	94.7 Å²	94.7	70%	0.7	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-10.4	178.2	-68.3	-173	174.1	-179.8	0	114.1	F593	F593-K598 HydrophobicContact CB-CG 4.41Å; F593-K598 HydrophobicContact CD1-CB 4.46Å; F593-K598 HydrophobicContact CD1-CD 4.18Å; F593-K598 HydrophobicContact CD1-CG 3.9Å
599	E	59.1	Low	62	Low	140 Å²	140	94.4 Å²	94.4	65%	0.654	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-8.3	-176.9	-67	-178	174	0	0	114.2	N597 Y601 R667	N597-E599 PolarHBondContact O-N 2.95Å; E599-Y601 PolarHBondContact O-N 3.01Å; E599-R667 IonicContact OE2-CZ 3.12Å; E599-R667 IonicContact OE2-NH1 3.76Å; E599-R667 PolarHBondContact OE2-NH1 2.93Å; E599-R667 IonicContact OE2-NH2 2.97Å; E599-R667 PolarHBondContact OE2-NH2 3.45Å
600	L	74	Confident	61.6	Low	15 Å²	15	94.6 Å²	94.6	8%	0.079	46%	0.463	C	S	.	.			trans	-103.6	79	-174.5	-162.3	72.4	0	0	0	111.4	E572 F576 N597 M661 S668	E572-L600 HydrophobicContact CG-CD2 4.47Å; E572-L600 WeakPolarHBondContact OE2-CD2 3.27Å; F576-L600 HydrophobicContact CE2-CD2 3.92Å; F576-L600 HydrophobicContact CZ-CD2 3.84Å; F576-L600 HydrophobicContact CZ-CG 4.28Å; N597-L600 PolarHBondContact O-N 3.23Å; L600-M661 HydrophobicContact CD1-CE 3.95Å; L600-M661 HydrophobicContact CD1-SD 3.92Å; L600-M661 HydrophobicContact CD2-CE 4.19Å; L600-M661 HydrophobicContact CD2-SD 4.34Å; L600-M661 HydrophobicContact CG-CE 3.76Å; L600-M661 HydrophobicContact CG-SD 4.22Å; L600-S668 WeakPolarHBondContact CD1-O 3.39Å
601	Y	83.5	Confident	61.5	Low	143 Å²	143	95.6 Å²	95.6	56%	0.561	46%	0.456	S	S	*	.			trans	-95	125.7	172.6	-176.4	-96.2	0	0	0	110.6	N587 E599 D603 I670	N587-Y601 HydrophobicContact CB-CD2 4.13Å; N587-Y601 HydrophobicContact CB-CE2 3.91Å; E599-Y601 PolarHBondContact O-N 3.01Å; Y601-D603 PolarHBondContact O-N 3.49Å; Y601-I670 WeakPolarHBondContact O-CD1 3.19Å; Y601-I670 WeakPolarHBondContact O-CG1 3.48Å
602	W	90.1	Very high	61.2	Low	0 Å²	0	97.3 Å²	97.3	0%	0	46%	0.458	C	S	.	.			trans	-87.6	96.6	178.5	-167	-18.7	0	0	0	111.2	M400 F518 L519 Y520 F576 W577 P586 N587 M661 F663	M400-W602 HydrophobicContact CG-CH2 4Å; M400-W602 HydrophobicContact CG-CZ2 4.17Å; M400-W602 HydrophobicContact SD-CH2 3.33Å; M400-W602 WeakPolarHBondContact SD-CH2 3.21Å; M400-W602 HydrophobicContact SD-CZ2 4.03Å; M400-W602 HydrophobicContact SD-CZ3 3.78Å; F518-W602 HydrophobicContact CB-CZ2 4.15Å; F518-W602 AromaticContact CD1-CD1 3.99Å; F518-W602 HydrophobicContact CD1-CG 4.33Å; L519-W602 WeakPolarHBondContact O-CZ2 3.28Å; L519-W602 PolarHBondContact O-NE1 3.36Å; Y520-W602 AromaticContact CD1-CH2 3.92Å; Y520-W602 HydrophobicContact CD1-CH2 3.92Å; Y520-W602 HydrophobicContact CD1-CZ2 4.15Å; Y520-W602 HydrophobicContact CG-CH2 4.16Å; Y520-W602 HydrophobicContact CG-CZ2 4.31Å; F576-W602 HydrophobicContact CB-CE3 4.2Å; F576-W602 HydrophobicContact CB-CZ3 3.91Å; F576-W602 AromaticContact CD1-CE3 3.85Å; F576-W602 HydrophobicContact CD1-CE3 3.85Å; F576-W602 HydrophobicContact CD1-CZ3 4.41Å; F576-W602 HydrophobicContact CD2-CE3 4.28Å; F576-W602 HydrophobicContact CD2-CZ3 4.38Å; F576-W602 HydrophobicContact CE1-CB 4.44Å; F576-W602 HydrophobicContact CE1-CE3 4.22Å; F576-W602 AromaticContact CG-CE3 3.88Å; F576-W602 HydrophobicContact CG-CE3 3.88Å; F576-W602 HydrophobicContact CG-CZ3 4.02Å; W577-W602 HydrophobicContact CZ3-CZ3 4.44Å; P586-W602 HydrophobicContact CB-CD2 4.08Å; P586-W602 HydrophobicContact CB-CE3 3.53Å; P586-W602 HydrophobicContact CB-CZ3 3.94Å; P586-W602 HydrophobicContact CG-CB 3.96Å; P586-W602 HydrophobicContact CG-CD2 3.68Å; P586-W602 HydrophobicContact CG-CE3 3.68Å; P586-W602 HydrophobicContact CG-CG 3.84Å; P586-W602 HydrophobicContact CG-CZ3 4.35Å; N587-W602 PolarHBondContact ND2-O 2.8Å; N587-W602 WeakPolarHBondContact OD1-CB 3.44Å; N587-W602 PolarHBondContact OD1-N 2.95Å; W602-M661 HydrophobicContact CB-CE 3.68Å; W602-M661 HydrophobicContact CD2-CB 3.58Å; W602-M661 HydrophobicContact CD2-CE 4.22Å; W602-M661 HydrophobicContact CD2-CG 4.17Å; W602-M661 VanDerWaalsContact CE2-CB 3.44Å; W602-M661 HydrophobicContact CE3-CB 4.06Å; W602-M661 HydrophobicContact CE3-CE 4.41Å; W602-M661 HydrophobicContact CE3-CG 4.2Å; W602-M661 HydrophobicContact CG-CB 3.97Å; W602-M661 HydrophobicContact CG-CE 3.91Å; W602-M661 HydrophobicContact CH2-CB 4.32Å; W602-M661 HydrophobicContact CZ2-CB 3.88Å; W602-M661 HydrophobicContact CZ3-CB 4.4Å; W602-F663 HydrophobicContact CE3-CZ 4.16Å; W602-F663 AromaticContact CH2-CE2 3.83Å; W602-F663 HydrophobicContact CH2-CE2 3.83Å; W602-F663 HydrophobicContact CH2-CZ 4.05Å; W602-F663 AromaticContact CZ3-CE2 3.83Å; W602-F663 HydrophobicContact CZ3-CE2 3.83Å; W602-F663 AromaticContact CZ3-CZ 3.54Å; W602-F663 HydrophobicContact CZ3-CZ 3.54Å
603	D	87.3	Confident	60.7	Low	42 Å²	42	96.8 Å²	96.8	23%	0.225	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-57.4	144.5	178.6	-76.4	-57.2	0	0	0	113.3	Y601 K659	Y601-D603 PolarHBondContact O-N 3.49Å; D603-K659 HydrophobicContact CB-CB 4.01Å; D603-K659 HydrophobicContact CB-CD 3.51Å; D603-K659 HydrophobicContact CB-CG 4.45Å; D603-K659 VanDerWaalsContact CG-NZ 3.33Å; D603-K659 IonicContact OD1-NZ 2.69Å; D603-K659 WeakPolarHBondContact OD2-CD 3.33Å; D603-K659 IonicContact OD2-NZ 3.19Å; D603-K659 PolarHBondContact OD2-NZ 2.75Å
604	R	89.3	Confident	60.2	Low	119 Å²	119	94.3 Å²	94.3	45%	0.449	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-61.8	138.8	169.6	-176.2	173	66.3	172	-3.4	109.6	F518 E606	F518-R604 HydrophobicContact CE1-CB 4.29Å; R604-E606 HydrophobicContact CG-CG 4.37Å; R604-E606 IonicContact CZ-OE1 3.17Å; R604-E606 IonicContact NE-OE1 3.84Å; R604-E606 PolarHBondContact NE-OE1 3.08Å; R604-E606 IonicContact NH2-OE1 2.66Å; R604-E606 PolarHBondContact NH2-OE1 3.43Å; R604-E606 PolarHBondContact O-N 3.21Å
605	Y	92.3	Very high	59.6	Low	4 Å²	4	92.9 Å²	92.9	2%	0.016	47%	0.469	C	S	.	.	P	Polyproline II helix	trans	-73.7	120.1	171.8	-175.3	-87	0	0	0	110	A506 D507 V517 L519 T607 R658 K659	A506-Y605 HydrophobicContact CB-CD1 4.06Å; A506-Y605 HydrophobicContact CB-CE1 3.64Å; A506-Y605 HydrophobicContact CB-CE2 4.4Å; D507-Y605 PolarHBondContact OD1-OH 2.92Å; V517-Y605 HydrophobicContact CG1-CD1 4.02Å; V517-Y605 HydrophobicContact CG1-CG 4.18Å; V517-Y605 VanDerWaalsContact O-CB 3.32Å; V517-Y605 WeakPolarHBondContact O-CB 3.31Å; V517-Y605 PolarHBondContact O-N 3.32Å; L519-Y605 HydrophobicContact CB-CD2 3.62Å; L519-Y605 HydrophobicContact CB-CE2 4.23Å; L519-Y605 HydrophobicContact CB-CG 4.3Å; L519-Y605 HydrophobicContact CD2-CD2 3.71Å; L519-Y605 HydrophobicContact CD2-CE2 3.42Å; L519-Y605 VanDerWaalsContact CD2-CE2 3.42Å; L519-Y605 HydrophobicContact CG-CD2 4.33Å; L519-Y605 HydrophobicContact CG-CE2 4.46Å; Y605-T607 HydrophobicContact CE1-CG2 3.85Å; Y605-R658 HydrophobicContact CD2-CB 4.49Å; Y605-R658 HydrophobicContact CE2-CB 3.71Å; Y605-R658 HydrophobicContact CE2-CG 4.09Å; Y605-K659 WeakPolarHBondContact CD2-O 3.26Å
606	E	88.1	Confident	58.7	Low	96 Å²	96	98.8 Å²	98.8	45%	0.449	50%	0.498	S	S	.	.			trans	-129.9	144.7	178.3	-66.7	-179.6	-176	0	0	110.1	R604 S657 R658	R604-E606 HydrophobicContact CG-CG 4.37Å; R604-E606 IonicContact CZ-OE1 3.17Å; R604-E606 IonicContact NE-OE1 3.84Å; R604-E606 PolarHBondContact NE-OE1 3.08Å; R604-E606 IonicContact NH2-OE1 2.66Å; R604-E606 PolarHBondContact NH2-OE1 3.43Å; R604-E606 PolarHBondContact O-N 3.21Å; E606-S657 WeakPolarHBondContact O-CB 3.44Å; E606-R658 PolarHBondContact O-N 2.82Å
607	T	82.9	Confident	57.8	Low	31 Å²	31	92.3 Å²	92.3	19%	0.19	49%	0.49	C	S	.	.			trans	-102.3	135.9	170.9	54.2	0	0	0	0	109.7	D507 S510 Y605 S609	D507-T607 HydrophobicContact CB-CG2 4.22Å; D507-T607 WeakPolarHBondContact OD1-CG2 3.46Å; S510-T607 WeakPolarHBondContact OG-CG2 3.49Å; S510-T607 PolarHBondContact OG-OG1 2.61Å; Y605-T607 HydrophobicContact CE1-CG2 3.85Å; T607-S609 PolarHBondContact O-N 3.38Å; T607-S609 VanDerWaalsContact O-N 3.09Å
608	Y	65.5	Low	56.7	Low	129 Å²	129	99.7 Å²	99.7	51%	0.506	52%	0.523	S	S	.	.			trans	-69.2	108.4	172.5	-134.1	-89.3	0	0	0	108.5	R653	Y608-R653 PolarHBondContact OH-NH1 3.44Å; Y608-R653 VanDerWaalsContact OH-NH1 3.09Å
609	S	50.3	Low	55.7	Low	49 Å²	49	97.1 Å²	97.1	34%	0.343	53%	0.525	S	S	.	.			trans	-89.1	122.4	168.5	-176.1	0	0	0	0	108.9	T607 H611 S612	T607-S609 PolarHBondContact O-N 3.38Å; T607-S609 VanDerWaalsContact O-N 3.09Å; S609-H611 PolarHBondContact O-N 3.48Å; S609-H611 PolarHBondContact OG-N 2.66Å; S609-S612 PolarHBondContact O-N 3.32Å; S609-S612 PolarHBondContact O-OG 2.9Å
610	P	43.4	Very low	54.2	Low	108 Å²	108	96 Å²	96	70%	0.701	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-59	-16.8	171.9	-21.3	32	0	0	0	113.2
611	H	36.7	Very low	52.1	Low	161 Å²	161	101.1 Å²	101.1	75%	0.745	57%	0.57	S	S	*	*	G	3₁₀ helix	trans	-85.7	-11.1	-178.2	-63.4	-24.2	0	0	0	114.7	S609 V613	S609-H611 PolarHBondContact O-N 3.48Å; S609-H611 PolarHBondContact OG-N 2.66Å; H611-V613 VanDerWaalsContact C-N 3.27Å; H611-V613 PolarHBondContact O-N 3.23Å
612	S	32.7	Very low	49.5	Very low	93 Å²	93	99.7 Å²	99.7	65%	0.65	58%	0.581	S	S	*	*	G	3₁₀ helix	trans	-80.8	0.9	177.4	24.8	0	0	0	0	114.8	S609	S609-S612 PolarHBondContact O-N 3.32Å; S609-S612 PolarHBondContact O-OG 2.9Å
613	V	30.7	Very low	46.6	Very low	103 Å²	103	104.9 Å²	104.9	62%	0.624	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-106.1	-1.6	179	-177.1	0	0	0	0	112.6	H611	H611-V613 VanDerWaalsContact C-N 3.27Å; H611-V613 PolarHBondContact O-N 3.23Å
614	A	27.6	Very low	43.8	Very low	82 Å²	82	107.7 Å²	107.7	68%	0.678	64%	0.64	S	S	*	*	S	Bend	trans	-111.8	34.8	-174.3	0	0	0	0	0	114.7
615	V	27	Very low	40.9	Very low	133 Å²	133	107.2 Å²	107.2	81%	0.806	66%	0.655	S	S	*	*			trans	-144.8	60.4	168.5	-169	0	0	0	0	110.3
616	L	26	Very low	37.8	Very low	172 Å²	172	111.8 Å²	111.8	90%	0.901	69%	0.688	S	S	*	*	S	Bend	trans	-148.6	68.2	164.2	-77.1	179.7	0	0	0	109.8
617	S	26.8	Very low	34.8	Very low	108 Å²	108	112 Å²	112	76%	0.755	70%	0.7	S	S	*	*			trans	169.7	87.4	142.1	61.6	0	0	0	0	110.4
618	E	26.3	Very low	32.2	Very low	205 Å²	205	118.2 Å²	118.2	96%	0.958	73%	0.73	S	S	*	*			trans	-157.3	63.7	150.5	-114.2	176.2	-152.8	0	0	108
619	S	31.3	Very low	30.3	Very low	106 Å²	106	116 Å²	116	74%	0.741	74%	0.738	S	S	*	*			trans	-111	99	162.2	49.5	0	0	0	0	108.6
620	S	26.7	Very low	29.2	Very low	117 Å²	117	121.4 Å²	121.4	82%	0.818	76%	0.762	S	S	*	*			trans	28.5	102.8	137.5	59.8	0	0	0	0	117.2
621	S	30.3	Very low	28.3	Very low	122 Å²	122	121.5 Å²	121.5	85%	0.853	77%	0.765	S	S	*	*			trans	-131.8	109	139.9	57.6	0	0	0	0	109.3
622	S	27.4	Very low	27.7	Very low	113 Å²	113	117.3 Å²	117.3	79%	0.79	77%	0.765	S	S	*	*			trans	-81	125.3	163.8	52	0	0	0	0	108.7
623	S	29.5	Very low	27.5	Very low	110 Å²	110	119.7 Å²	119.7	77%	0.769	78%	0.775	S	S	*	*				164.7	136.5	116.5	59.8	0	0	0	0	113.1
624	S	28.9	Very low	27.2	Very low	101 Å²	101	119.5 Å²	119.5	71%	0.706	78%	0.778	S	S	*	*			trans	82.9	118.1	144.5	66.5	0	0	0	0	121.4
625	S	28.4	Very low	27.1	Very low	108 Å²	108	121.8 Å²	121.8	76%	0.755	78%	0.784	S	S	*	*			trans	65	138.5	136.5	58.3	0	0	0	0	118.6
626	S	28.3	Very low	27.1	Very low	101 Å²	101	120.9 Å²	120.9	71%	0.706	78%	0.783	S	S	*	*			cis	-178.3	139.1	-0.5	38.8	0	0	0	0	106.4
627	S	24.3	Very low	27.1	Very low	99 Å²	99	117.6 Å²	117.6	69%	0.692	78%	0.775	S	S	*	*			trans	45.2	124.4	146.3	60.5	0	0	0	0	121.3
628	I	28.9	Very low	27.2	Very low	163 Å²	163	119 Å²	119	84%	0.836	78%	0.778	S	S	*	*				172.4	139.4	110.1	-84.7	157.8	0	0	0	110.3
629	A	24.1	Very low	27.1	Very low	81 Å²	81	116.7 Å²	116.7	67%	0.669	77%	0.772	S	S	*	*			trans	-80.1	164.9	177	0	0	0	0	0	113.3
630	I	27.8	Very low	26.8	Very low	164 Å²	164	117 Å²	117	84%	0.841	77%	0.774	S	S	*	*				167	149	122.2	-81	159.5	0	0	0	111.1
631	S	25.2	Very low	26.8	Very low	110 Å²	110	116.7 Å²	116.7	77%	0.769	77%	0.772	S	S	*	*			trans	-64.7	166.7	-173.2	54	0	0	0	0	120.6
632	G	24.5	Very low	26.8	Very low	72 Å²	72	116 Å²	116	74%	0.742	77%	0.767	S	S	*	*			trans	92.7	144.2	152.1	0	0	0	0	0	114.2
633	V	27.9	Very low	26.8	Very low	144 Å²	144	117.7 Å²	117.7	87%	0.873	77%	0.772	S	S	*	*			cis	-162.6	167	29.2	166	0	0	0	0	109.5
634	S	24.2	Very low	26.8	Very low	98 Å²	98	117 Å²	117	69%	0.685	77%	0.767	S	S	*	*			trans	-69.2	155.8	-176	59.8	0	0	0	0	119.7
635	V	26.1	Very low	26.7	Very low	131 Å²	131	117.2 Å²	117.2	79%	0.794	77%	0.769	S	S	*	*			trans	2.7	141.6	144.4	-163.9	0	0	0	0	121.8
636	S	26.2	Very low	26.6	Very low	113 Å²	113	120.7 Å²	120.7	79%	0.79	77%	0.773	S	S	*	*			trans	79.5	138.1	160.7	71	0	0	0	0	116.4
637	S	26.5	Very low	26.6	Very low	103 Å²	103	121.9 Å²	121.9	72%	0.72	78%	0.776	S	S	*	*			cis	-168.3	155.5	2.3	49.7	0	0	0	0	106.9
638	V	29.3	Very low	26.8	Very low	137 Å²	137	121.9 Å²	121.9	83%	0.83	78%	0.777	S	S	*	*			trans	163.3	139.2	132.8	166.6	0	0	0	0	110.7
639	L	24.3	Very low	26.8	Very low	157 Å²	157	118.2 Å²	118.2	82%	0.822	77%	0.765	S	S	*	*			trans	-57.6	159.2	-177.3	-75.3	123.5	0	0	0	116.6
640	S	24.7	Very low	27.3	Very low	113 Å²	113	123.7 Å²	123.7	79%	0.79	77%	0.774	S	S	*	*			trans	72.9	99.1	149.7	71.4	0	0	0	0	119.1
641	S	26.9	Very low	27.5	Very low	110 Å²	110	124.4 Å²	124.4	77%	0.769	77%	0.771	S	S	*	*				-171	129.5	126.2	52.1	0	0	0	0	111.3
642	S	28.6	Very low	28.1	Very low	107 Å²	107	125 Å²	125	75%	0.748	77%	0.771	S	S	*	*			trans	51.7	91.3	156.7	59.2	0	0	0	0	118.1	S644	S642-S644 VanDerWaalsContact C-N 3.32Å; S642-S644 PolarHBondContact O-N 3.03Å
643	V	27.9	Very low	29.1	Very low	150 Å²	150	130.7 Å²	130.7	91%	0.909	77%	0.77	S	S	*	*			trans	-70.6	94.6	152.5	177.4	0	0	0	0	107.1
644	S	30.1	Very low	30.5	Very low	94 Å²	94	130.1 Å²	130.1	66%	0.657	76%	0.762	S	S	*	*			trans	-66.4	129.5	158.6	46.2	0	0	0	0	108.3	S642 E646	S642-S644 VanDerWaalsContact C-N 3.32Å; S642-S644 PolarHBondContact O-N 3.03Å; S644-E646 PolarHBondContact O-N 3.13Å
645	S	25.8	Very low	32.5	Very low	107 Å²	107	127.7 Å²	127.7	75%	0.748	74%	0.741	S	S	*	*			trans	-60.4	91.7	173.6	54.2	0	0	0	0	111.3
646	E	27.8	Very low	34.8	Very low	180 Å²	180	125.9 Å²	125.9	84%	0.841	73%	0.727	S	S	*	*			trans	-98.4	80	152.5	-77.9	-170.8	169.2	0	0	107.9	S644 S648	S644-E646 PolarHBondContact O-N 3.13Å; E646-S648 PolarHBondContact O-N 3.44Å
647	T	27.5	Very low	37.5	Very low	126 Å²	126	120.9 Å²	120.9	77%	0.773	69%	0.692	S	S	*	*			trans	-60.1	93.7	152.6	35	0	0	0	0	106.8	S649	T647-S649 PolarHBondContact O-N 2.76Å
648	S	29.3	Very low	40.5	Very low	100 Å²	100	117.4 Å²	117.4	70%	0.699	66%	0.663	S	S	*	*			trans	-58.7	92.3	159.7	58.1	0	0	0	0	106.8	E646 F650	E646-S648 PolarHBondContact O-N 3.44Å; S648-F650 VanDerWaalsContact C-N 3.28Å; S648-F650 PolarHBondContact O-N 3.05Å
649	S	29.2	Very low	43.5	Very low	86 Å²	86	113.2 Å²	113.2	60%	0.601	63%	0.634	S	S	*	*			trans	-62.1	100	168	64.8	0	0	0	0	105.7	T647 K651	T647-S649 PolarHBondContact O-N 2.76Å; S649-K651 PolarHBondContact O-N 2.84Å
650	F	33.3	Very low	46.9	Very low	196 Å²	196	105.9 Å²	105.9	86%	0.86	60%	0.596	S	S	*	*			trans	-57.9	78.4	145.5	-98.8	-93.2	0	0	0	105.8	S648 T652	S648-F650 VanDerWaalsContact C-N 3.28Å; S648-F650 PolarHBondContact O-N 3.05Å; F650-T652 PolarHBondContact O-N 3.19Å
651	K	32.3	Very low	50.3	Low	178 Å²	178	100.5 Å²	100.5	77%	0.774	56%	0.558	S	S	*	*			trans	-60.3	100.6	159.1	-85.7	-178.6	176.3	176.9	0	103.3	S649 R653	S649-K651 PolarHBondContact O-N 2.84Å; K651-R653 VanDerWaalsContact C-N 3.34Å; K651-R653 PolarHBondContact O-N 3.38Å
652	T	37.7	Very low	53.7	Low	124 Å²	124	95.3 Å²	95.3	76%	0.761	52%	0.521	S	S	*	.			trans	-45.3	107.7	161.3	38.4	0	0	0	0	105.8	F650 N654	F650-T652 PolarHBondContact O-N 3.19Å; T652-N654 PolarHBondContact O-N 2.65Å
653	R	45.1	Very low	56.9	Low	190 Å²	190	90.2 Å²	90.2	72%	0.717	49%	0.486	S	S	*	.			trans	-55	118.4	177.6	-136.2	-179.1	-173.1	-176.2	4.5	105	Y608 K651 D655	Y608-R653 PolarHBondContact OH-NH1 3.44Å; Y608-R653 VanDerWaalsContact OH-NH1 3.09Å; K651-R653 VanDerWaalsContact C-N 3.34Å; K651-R653 PolarHBondContact O-N 3.38Å; R653-D655 PolarHBondContact O-N 3.13Å
654	N	57.4	Low	60.2	Low	133 Å²	133	84.4 Å²	84.4	71%	0.711	45%	0.451	S	S	*	.			trans	-54.9	117.9	177	-95.3	-12.6	0	0	0	107.4	T652 D656	T652-N654 PolarHBondContact O-N 2.65Å; N654-D656 PolarHBondContact O-N 2.92Å
655	D	67.6	Low	63.3	Low	46 Å²	46	82.1 Å²	82.1	25%	0.246	43%	0.431	C	S	.	.			trans	-69.5	99.2	178.1	-175.3	-0.9	0	0	0	108.2	R653 S657 R676	R653-D655 PolarHBondContact O-N 3.13Å; D655-S657 WeakPolarHBondContact OD1-CB 3.11Å; D655-S657 PolarHBondContact OD1-N 3.42Å; D655-S657 PolarHBondContact OD1-OG 2.99Å; D655-R676 IonicContact OD2-CZ 3.17Å; D655-R676 IonicContact OD2-NH1 2.77Å; D655-R676 PolarHBondContact OD2-NH1 2.87Å
656	D	73.3	Confident	66.5	Low	93 Å²	93	83.2 Å²	83.2	50%	0.497	44%	0.435	S	S	.	.			trans	-84.6	6.6	177.2	-75.5	-30	0	0	0	112.8	N654 K672	N654-D656 PolarHBondContact O-N 2.92Å; D656-K672 IonicContact OD1-NZ 2.94Å; D656-K672 PolarHBondContact OD1-NZ 3.48Å
657	S	83.8	Confident	69.6	Low	9 Å²	9	80.1 Å²	80.1	6%	0.063	42%	0.416	C	S	.	.			trans	-80	168.1	179.1	78.5	0	0	0	0	113	E606 D655 K659	E606-S657 WeakPolarHBondContact O-CB 3.44Å; D655-S657 WeakPolarHBondContact OD1-CB 3.11Å; D655-S657 PolarHBondContact OD1-N 3.42Å; D655-S657 PolarHBondContact OD1-OG 2.99Å; S657-K659 VanDerWaalsContact C-N 3.33Å; S657-K659 PolarHBondContact O-N 3.21Å
658	R	89.7	Confident	72.7	Confident	29 Å²	29	74.2 Å²	74.2	11%	0.109	38%	0.38	C	S	.	.	S	Bend	trans	55.7	41.9	173.5	-53.4	178.6	-179.4	-123	-9.7	114.1	D507 Y605 E606 N673	D507-R658 IonicContact OD1-CZ 3.88Å; D507-R658 IonicContact OD1-NE 2.67Å; D507-R658 IonicContact OD1-NH1 3.2Å; D507-R658 PolarHBondContact OD1-NH1 2.86Å; D507-R658 IonicContact OD1-NH2 2.9Å; D507-R658 PolarHBondContact OD1-NH2 3.44Å; D507-R658 IonicContact OD2-CZ 2.91Å; D507-R658 IonicContact OD2-NH1 2.9Å; D507-R658 PolarHBondContact OD2-NH1 3.16Å; D507-R658 IonicContact OD2-NH2 2.89Å; D507-R658 PolarHBondContact OD2-NH2 2.63Å; Y605-R658 HydrophobicContact CD2-CB 4.49Å; Y605-R658 HydrophobicContact CE2-CB 3.71Å; Y605-R658 HydrophobicContact CE2-CG 4.09Å; E606-R658 PolarHBondContact O-N 2.82Å; R658-N673 PolarHBondContact O-N 3.26Å
659	K	92.3	Very high	75.8	Confident	49 Å²	49	74.5 Å²	74.5	21%	0.213	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	145.5	173.3	-66.3	-178.1	177.8	-177.2	0	111.1	D603 Y605 S657 I670 S671 K672	D603-K659 HydrophobicContact CB-CB 4.01Å; D603-K659 HydrophobicContact CB-CD 3.51Å; D603-K659 HydrophobicContact CB-CG 4.45Å; D603-K659 VanDerWaalsContact CG-NZ 3.33Å; D603-K659 IonicContact OD1-NZ 2.69Å; D603-K659 WeakPolarHBondContact OD2-CD 3.33Å; D603-K659 IonicContact OD2-NZ 3.19Å; D603-K659 PolarHBondContact OD2-NZ 2.75Å; Y605-K659 WeakPolarHBondContact CD2-O 3.26Å; S657-K659 VanDerWaalsContact C-N 3.33Å; S657-K659 PolarHBondContact O-N 3.21Å; K659-I670 HydrophobicContact CB-CG2 4.15Å; K659-I670 HydrophobicContact CD-CG2 4.33Å; K659-I670 HydrophobicContact CG-CG2 4.39Å; K659-S671 WeakPolarHBondContact CA-O 3.26Å; K659-K672 HydrophobicContact CG-CG 4.11Å
660	H	95.2	Very high	78.8	Confident	4 Å²	4	73 Å²	73	2%	0.019	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	151.4	176.3	63.5	-76	0	0	0	111.5	L519 I670 S671	L519-H660 HydrophobicContact CB-CB 3.82Å; L519-H660 HydrophobicContact CD2-CB 4.02Å; L519-H660 HydrophobicContact CG-CB 3.82Å; L519-H660 CarbonylContact O-C 3.57Å; L519-H660 WeakPolarHBondContact O-CA 3.49Å; L519-H660 VanDerWaalsContact O-CB 3.24Å; L519-H660 WeakPolarHBondContact O-CB 3.46Å; H660-I670 WeakPolarHBondContact O-CA 3.38Å; H660-S671 VanDerWaalsContact CE1-CB 3.49Å; H660-S671 WeakPolarHBondContact CE1-CB 3.47Å; H660-S671 PolarHBondContact N-O 2.95Å; H660-S671 PolarHBondContact ND1-O 3.01Å; H660-S671 PolarHBondContact O-N 2.94Å
661	M	96.1	Very high	81.7	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	134.1	173.6	-176.6	61.2	73.9	0	0	110.4	L519 Y520 S521 F576 L600 W602 F663 I670	L519-M661 PolarHBondContact O-N 3Å; Y520-M661 CarbonylContact C-O 3.14Å; Y520-M661 WeakPolarHBondContact CA-O 3.45Å; Y520-M661 WeakPolarHBondContact CB-O 3.39Å; S521-M661 PolarHBondContact N-O 3.23Å; F576-M661 HydrophobicContact CE2-CE 4.44Å; F576-M661 HydrophobicContact CZ-CE 4.07Å; L600-M661 HydrophobicContact CD1-CE 3.95Å; L600-M661 HydrophobicContact CD1-SD 3.92Å; L600-M661 HydrophobicContact CD2-CE 4.19Å; L600-M661 HydrophobicContact CD2-SD 4.34Å; L600-M661 HydrophobicContact CG-CE 3.76Å; L600-M661 HydrophobicContact CG-SD 4.22Å; W602-M661 HydrophobicContact CB-CE 3.68Å; W602-M661 HydrophobicContact CD2-CB 3.58Å; W602-M661 HydrophobicContact CD2-CE 4.22Å; W602-M661 HydrophobicContact CD2-CG 4.17Å; W602-M661 VanDerWaalsContact CE2-CB 3.44Å; W602-M661 HydrophobicContact CE3-CB 4.06Å; W602-M661 HydrophobicContact CE3-CE 4.41Å; W602-M661 HydrophobicContact CE3-CG 4.2Å; W602-M661 HydrophobicContact CG-CB 3.97Å; W602-M661 HydrophobicContact CG-CE 3.91Å; W602-M661 HydrophobicContact CH2-CB 4.32Å; W602-M661 HydrophobicContact CZ2-CB 3.88Å; W602-M661 HydrophobicContact CZ3-CB 4.4Å; M661-F663 HydrophobicContact CB-CE2 4.35Å; M661-F663 HydrophobicContact CB-CZ 4.49Å; M661-F663 HydrophobicContact CG-CD1 4.34Å; M661-F663 HydrophobicContact CG-CD2 4.25Å; M661-F663 HydrophobicContact CG-CE1 3.91Å; M661-F663 HydrophobicContact CG-CE2 3.81Å; M661-F663 HydrophobicContact CG-CG 4.5Å; M661-F663 HydrophobicContact CG-CZ 3.62Å; M661-I670 HydrophobicContact CB-CD1 4.39Å; M661-I670 HydrophobicContact CE-CD1 3.61Å; M661-I670 HydrophobicContact CE-CG1 4.49Å; M661-I670 HydrophobicContact SD-CD1 4.04Å
662	V	97.2	Very high	84.5	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	115.1	171	-176.7	0	0	0	0	108.5	S521 E523 T664 S668 Y669	S521-V662 WeakPolarHBondContact O-CA 2.85Å; E523-V662 HydrophobicContact CB-CG1 4.2Å; E523-V662 HydrophobicContact CG-CG1 3.86Å; V662-T664 HydrophobicContact CG1-CG2 4.34Å; V662-S668 WeakPolarHBondContact O-CA 3.4Å; V662-S668 VanDerWaalsContact O-CB 3.3Å; V662-S668 WeakPolarHBondContact O-CB 3.4Å; V662-Y669 HydrophobicContact CB-CD1 4.2Å; V662-Y669 HydrophobicContact CB-CD2 4.38Å; V662-Y669 HydrophobicContact CB-CE1 3.85Å; V662-Y669 HydrophobicContact CB-CE2 4.06Å; V662-Y669 HydrophobicContact CB-CG 4.45Å; V662-Y669 HydrophobicContact CG1-CD1 4.48Å; V662-Y669 HydrophobicContact CG1-CE1 3.74Å; V662-Y669 HydrophobicContact CG2-CD2 4.44Å; V662-Y669 HydrophobicContact CG2-CE2 3.92Å; V662-Y669 PolarHBondContact N-O 3.11Å; V662-Y669 PolarHBondContact O-N 3.12Å; V662-Y669 VanDerWaalsContact O-N 3.1Å
663	F	97.1	Very high	87.1	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	110.5	174.6	-69.8	-68.6	0	0	0	109.8	Y520 S521 F522 E523 H524 L569 M573 F576 W577 W602 M661	Y520-F663 HydrophobicContact CD2-CD2 4.05Å; Y520-F663 HydrophobicContact CD2-CE2 4.28Å; Y520-F663 HydrophobicContact CG-CD2 4.27Å; Y520-F663 HydrophobicContact CG-CE2 4.08Å; S521-F663 PolarHBondContact O-N 2.97Å; F522-F663 HydrophobicContact CD2-CB 3.88Å; E523-F663 PolarHBondContact N-O 3.33Å; H524-F663 PolarHBondContact N-O 2.82Å; L569-F663 HydrophobicContact CD1-CB 4.4Å; L569-F663 HydrophobicContact CD1-CD1 4.22Å; M573-F663 HydrophobicContact CG-CD1 3.73Å; M573-F663 HydrophobicContact CG-CE1 3.87Å; M573-F663 HydrophobicContact CG-CG 4.15Å; M573-F663 HydrophobicContact CG-CZ 4.38Å; M573-F663 HydrophobicContact SD-CB 4.44Å; M573-F663 HydrophobicContact SD-CD1 4.41Å; M573-F663 HydrophobicContact SD-CG 4.32Å; F576-F663 AromaticContact CD2-CE1 3.57Å; F576-F663 HydrophobicContact CD2-CE1 3.57Å; F576-F663 AromaticContact CD2-CZ 3.65Å; F576-F663 HydrophobicContact CD2-CZ 3.65Å; F576-F663 AromaticContact CE2-CE1 3.78Å; F576-F663 HydrophobicContact CE2-CE1 3.78Å; F576-F663 HydrophobicContact CE2-CZ 4.13Å; F576-F663 HydrophobicContact CG-CZ 4.41Å; W577-F663 AromaticContact CH2-CE2 3.94Å; W577-F663 HydrophobicContact CH2-CE2 3.94Å; W577-F663 AromaticContact CZ3-CE2 3.68Å; W577-F663 HydrophobicContact CZ3-CE2 3.68Å; W577-F663 AromaticContact CZ3-CZ 3.83Å; W577-F663 HydrophobicContact CZ3-CZ 3.83Å; W602-F663 HydrophobicContact CE3-CZ 4.16Å; W602-F663 AromaticContact CH2-CE2 3.83Å; W602-F663 HydrophobicContact CH2-CE2 3.83Å; W602-F663 HydrophobicContact CH2-CZ 4.05Å; W602-F663 AromaticContact CZ3-CE2 3.83Å; W602-F663 HydrophobicContact CZ3-CE2 3.83Å; W602-F663 AromaticContact CZ3-CZ 3.54Å; W602-F663 HydrophobicContact CZ3-CZ 3.54Å; M661-F663 HydrophobicContact CB-CE2 4.35Å; M661-F663 HydrophobicContact CB-CZ 4.49Å; M661-F663 HydrophobicContact CG-CD1 4.34Å; M661-F663 HydrophobicContact CG-CD2 4.25Å; M661-F663 HydrophobicContact CG-CE1 3.91Å; M661-F663 HydrophobicContact CG-CE2 3.81Å; M661-F663 HydrophobicContact CG-CG 4.5Å; M661-F663 HydrophobicContact CG-CZ 3.62Å
664	T	96.4	Very high	89.4	Confident	29 Å²	29	49 Å²	49	18%	0.178	25%	0.249	C	C	.	.			trans	-154.8	159.2	178.7	-171.4	0	0	0	0	111.1	V662 R667 S668 Y669	V662-T664 HydrophobicContact CG1-CG2 4.34Å; T664-R667 CarbonylContact O-C 3.59Å; T664-R667 PolarHBondContact O-N 3.16Å; T664-S668 PolarHBondContact O-N 3.06Å; T664-Y669 HydrophobicContact CG2-CD1 4.06Å; T664-Y669 HydrophobicContact CG2-CE1 3.67Å
665	L	95.3	Very high	91.2	Very high	45 Å²	45	45.3 Å²	45.3	24%	0.236	23%	0.225	C	C	.	.	S	Bend	trans	-91.9	151.6	166.4	-70.3	-177.1	0	0	0	111.9	H524 E565 E566 L569	H524-L665 VanDerWaalsContact CE1-CD1 3.49Å; H524-L665 WeakPolarHBondContact CE1-CD1 3.4Å; E565-L665 HydrophobicContact CB-CD1 3.54Å; E565-L665 HydrophobicContact CB-CD2 4.02Å; E565-L665 HydrophobicContact CB-CG 4.43Å; E566-L665 HydrophobicContact CG-CD1 3.89Å; L569-L665 HydrophobicContact CB-CD2 4.16Å; L569-L665 HydrophobicContact CD2-CG 4.32Å
666	P	93.8	Very high	92.3	Very high	130 Å²	130	47.7 Å²	47.7	84%	0.844	23%	0.23	S	C	*	.	S	Bend	cis	-78.2	-10.9	1	32.7	-36.4	0	0	0	114.7
667	R	91.3	Very high	93.2	Very high	115 Å²	115	47.9 Å²	47.9	43%	0.434	23%	0.228	S	C	.	.			trans	-149.6	132	-176.4	-171.4	-177.6	167.3	169	-1.6	111.9	E599 T664	E599-R667 IonicContact OE2-CZ 3.12Å; E599-R667 IonicContact OE2-NH1 3.76Å; E599-R667 PolarHBondContact OE2-NH1 2.93Å; E599-R667 IonicContact OE2-NH2 2.97Å; E599-R667 PolarHBondContact OE2-NH2 3.45Å; T664-R667 CarbonylContact O-C 3.59Å; T664-R667 PolarHBondContact O-N 3.16Å
668	S	94.1	Very high	93.8	Very high	2 Å²	2	50 Å²	50	1%	0.014	24%	0.235	C	C	.	.			trans	-69.3	151.7	170.1	-53.5	0	0	0	0	112	E572 L600 V662 T664	E572-S668 WeakPolarHBondContact OE1-CB 3.12Å; E572-S668 PolarHBondContact OE1-OG 3.12Å; L600-S668 WeakPolarHBondContact CD1-O 3.39Å; V662-S668 WeakPolarHBondContact O-CA 3.4Å; V662-S668 VanDerWaalsContact O-CB 3.3Å; V662-S668 WeakPolarHBondContact O-CB 3.4Å; T664-S668 PolarHBondContact O-N 3.06Å
669	Y	93.6	Very high	94.1	Very high	107 Å²	107	49 Å²	49	42%	0.42	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	164.9	-175.8	64.7	-85.8	0	0	0	113	V662 T664	V662-Y669 HydrophobicContact CB-CD1 4.2Å; V662-Y669 HydrophobicContact CB-CD2 4.38Å; V662-Y669 HydrophobicContact CB-CE1 3.85Å; V662-Y669 HydrophobicContact CB-CE2 4.06Å; V662-Y669 HydrophobicContact CB-CG 4.45Å; V662-Y669 HydrophobicContact CG1-CD1 4.48Å; V662-Y669 HydrophobicContact CG1-CE1 3.74Å; V662-Y669 HydrophobicContact CG2-CD2 4.44Å; V662-Y669 HydrophobicContact CG2-CE2 3.92Å; V662-Y669 PolarHBondContact N-O 3.11Å; V662-Y669 PolarHBondContact O-N 3.12Å; V662-Y669 VanDerWaalsContact O-N 3.1Å; T664-Y669 HydrophobicContact CG2-CD1 4.06Å; T664-Y669 HydrophobicContact CG2-CE1 3.67Å
670	I	92.3	Very high	94.2	Very high	55 Å²	55	48.9 Å²	48.9	28%	0.282	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	129.3	174.7	-60.6	-65.4	0	0	0	110.4	Y601 K659 H660 M661	Y601-I670 WeakPolarHBondContact O-CD1 3.19Å; Y601-I670 WeakPolarHBondContact O-CG1 3.48Å; K659-I670 HydrophobicContact CB-CG2 4.15Å; K659-I670 HydrophobicContact CD-CG2 4.33Å; K659-I670 HydrophobicContact CG-CG2 4.39Å; H660-I670 WeakPolarHBondContact O-CA 3.38Å; M661-I670 HydrophobicContact CB-CD1 4.39Å; M661-I670 HydrophobicContact CE-CD1 3.61Å; M661-I670 HydrophobicContact CE-CG1 4.49Å; M661-I670 HydrophobicContact SD-CD1 4.04Å
671	S	93.4	Very high	94.3	Very high	40 Å²	40	49 Å²	49	28%	0.28	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	177.4	171.4	-172.3	0	0	0	0	110.3	K659 H660	K659-S671 WeakPolarHBondContact CA-O 3.26Å; H660-S671 VanDerWaalsContact CE1-CB 3.49Å; H660-S671 WeakPolarHBondContact CE1-CB 3.47Å; H660-S671 PolarHBondContact N-O 2.95Å; H660-S671 PolarHBondContact ND1-O 3.01Å; H660-S671 PolarHBondContact O-N 2.94Å
672	K	92.4	Very high	94.2	Very high	82 Å²	82	49.7 Å²	49.7	36%	0.357	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	156	-175.9	-64.9	177.6	178.7	178.6	0	111.1	D656 K659 L674	D656-K672 IonicContact OD1-NZ 2.94Å; D656-K672 PolarHBondContact OD1-NZ 3.48Å; K659-K672 HydrophobicContact CG-CG 4.11Å; K672-L674 PolarHBondContact O-N 2.79Å
673	N	92.2	Very high	93.8	Very high	43 Å²	43	53.1 Å²	53.1	23%	0.23	25%	0.249	C	C	.	.			trans	56.3	46.4	165.6	-68.1	-50.1	0	0	0	114.2	R658 R675 R676	R658-N673 PolarHBondContact O-N 3.26Å; N673-R675 PolarHBondContact O-N 3.09Å; N673-R676 HydrophobicContact CB-CB 3.89Å; N673-R676 PolarHBondContact O-N 3.43Å; N673-R676 WeakPolarHBondContact OD1-CD 3.44Å
674	L	93.9	Very high	93.4	Very high	19 Å²	19	57.2 Å²	57.2	10%	0.099	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.1	110.7	177.4	-179.2	66.8	0	0	0	110.7	V403 V503 L519 K672 R676	V403-L674 HydrophobicContact CG2-CD1 4.47Å; V403-L674 HydrophobicContact CG2-CD2 3.75Å; V503-L674 HydrophobicContact CG2-CB 4.48Å; V503-L674 HydrophobicContact CG2-CD2 4.13Å; V503-L674 HydrophobicContact CG2-CG 4.4Å; L519-L674 HydrophobicContact CD1-CD2 4.45Å; L519-L674 HydrophobicContact CD2-CB 4.23Å; L519-L674 HydrophobicContact CD2-CD2 3.96Å; L519-L674 HydrophobicContact CG-CD2 4.32Å; K672-L674 PolarHBondContact O-N 2.79Å; L674-R676 PolarHBondContact O-N 3.07Å
675	R	93.4	Very high	93.3	Very high	54 Å²	54	60.2 Å²	60.2	20%	0.204	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	45.8	30.2	-179.1	-56.3	-63.7	-74.9	-172.9	-1.5	114.8	E491 D495 K499 N673 H677 Y678 C679	E491-R675 IonicContact OE2-CZ 2.82Å; E491-R675 IonicContact OE2-NH1 2.82Å; E491-R675 PolarHBondContact OE2-NH1 3.23Å; E491-R675 IonicContact OE2-NH2 3.85Å; E491-R675 PolarHBondContact OE2-NH2 3.34Å; D495-R675 IonicContact OD1-CZ 3.49Å; D495-R675 IonicContact OD1-NE 3.77Å; D495-R675 PolarHBondContact OD1-NE 3.41Å; D495-R675 VanDerWaalsContact OD1-NE 3.12Å; D495-R675 IonicContact OD1-NH2 3.26Å; D495-R675 IonicContact OD2-CZ 2.81Å; D495-R675 IonicContact OD2-NE 3.61Å; D495-R675 PolarHBondContact OD2-NE 2.91Å; D495-R675 IonicContact OD2-NH2 3.22Å; D495-R675 PolarHBondContact OD2-NH2 3.33Å; K499-R675 HydrophobicContact CD-CG 4.11Å; N673-R675 PolarHBondContact O-N 3.09Å; R675-H677 VanDerWaalsContact C-N 3.32Å; R675-H677 PolarHBondContact O-N 3.36Å; R675-Y678 HydrophobicContact CB-CD2 4.49Å; R675-Y678 VanDerWaalsContact NE-CD2 3.3Å; R675-Y678 VanDerWaalsContact NH2-CE2 3.32Å; R675-Y678 PolarHBondContact O-N 3.08Å; R675-C679 PolarHBondContact O-N 2.59Å; R675-C679 PolarHBondContact O-SG 3.39Å; R675-C679 VanDerWaalsContact O-SG 3.32Å
676	R	91.4	Very high	93.3	Very high	96 Å²	96	58.1 Å²	58.1	36%	0.362	27%	0.27	S	S	.	.	H	α-helix	trans	-52.7	-45.5	-173.2	179.7	178.5	174.2	-132.7	-4.9	113.2	D655 N673 L674 C679 M680	D655-R676 IonicContact OD2-CZ 3.17Å; D655-R676 IonicContact OD2-NH1 2.77Å; D655-R676 PolarHBondContact OD2-NH1 2.87Å; N673-R676 HydrophobicContact CB-CB 3.89Å; N673-R676 PolarHBondContact O-N 3.43Å; N673-R676 WeakPolarHBondContact OD1-CD 3.44Å; L674-R676 PolarHBondContact O-N 3.07Å; R676-C679 PolarHBondContact O-N 3.29Å; R676-M680 HydrophobicContact CG-CE 4.26Å; R676-M680 HydrophobicContact CG-SD 4.44Å; R676-M680 WeakPolarHBondContact O-CG 3.4Å; R676-M680 PolarHBondContact O-N 2.84Å
677	H	93.2	Very high	93.2	Very high	98 Å²	98	52.9 Å²	52.9	45%	0.454	24%	0.235	S	C	.	.	H	α-helix	trans	-60	-55	179.7	178.3	34.1	0	0	0	111.9	E467 R675 C679 M680 F681	E467-H677 IonicContact OE1-CD2 3.75Å; E467-H677 IonicContact OE1-CE1 2.85Å; E467-H677 PolarHBondContact OE1-CE1 3.14Å; E467-H677 IonicContact OE1-CG 3.84Å; E467-H677 IonicContact OE1-ND1 3.88Å; E467-H677 IonicContact OE1-NE2 2.81Å; E467-H677 PolarHBondContact OE1-NE2 3.1Å; E467-H677 VanDerWaalsContact OE1-NE2 3.07Å; R675-H677 VanDerWaalsContact C-N 3.32Å; R675-H677 PolarHBondContact O-N 3.36Å; H677-C679 VanDerWaalsContact C-N 3.3Å; H677-C679 PolarHBondContact O-N 3.13Å; H677-M680 WeakPolarHBondContact O-CB 3.46Å; H677-M680 PolarHBondContact O-N 3.12Å; H677-M680 VanDerWaalsContact O-N 3.12Å; H677-F681 PolarHBondContact O-N 3.42Å
678	Y	96.3	Very high	93.3	Very high	54 Å²	54	52 Å²	52	21%	0.212	24%	0.237	C	C	.	.	H	α-helix	trans	-61	-37.3	178.8	-62.3	-70.3	0	0	0	112.7	E467 Y468 D495 R675 F681 W682	E467-Y678 HydrophobicContact CG-CD1 4.17Å; E467-Y678 HydrophobicContact CG-CE1 4.31Å; Y468-Y678 HydrophobicContact CD1-CD1 4.41Å; Y468-Y678 HydrophobicContact CD1-CE1 4.22Å; Y468-Y678 HydrophobicContact CD2-CD1 4.47Å; Y468-Y678 AromaticContact CE1-CD1 3.84Å; Y468-Y678 HydrophobicContact CE1-CD1 3.84Å; Y468-Y678 HydrophobicContact CE1-CE1 4.05Å; Y468-Y678 HydrophobicContact CE1-CG 4.45Å; Y468-Y678 AromaticContact CE2-CD1 3.91Å; Y468-Y678 HydrophobicContact CE2-CD1 3.91Å; Y468-Y678 HydrophobicContact CE2-CE1 4.46Å; Y468-Y678 HydrophobicContact CG-CE1 4.5Å; Y468-Y678 AromaticContact CZ-CD1 3.54Å; D495-Y678 WeakPolarHBondContact OD2-CB 3.41Å; R675-Y678 HydrophobicContact CB-CD2 4.49Å; R675-Y678 VanDerWaalsContact NE-CD2 3.3Å; R675-Y678 VanDerWaalsContact NH2-CE2 3.32Å; R675-Y678 PolarHBondContact O-N 3.08Å; Y678-F681 WeakPolarHBondContact O-CB 3.32Å; Y678-F681 PolarHBondContact O-N 3.1Å; Y678-W682 PolarHBondContact O-N 2.8Å
679	C	95.7	Very high	93.2	Very high	7 Å²	7	54.7 Å²	54.7	5%	0.047	25%	0.251	C	S	.	.	H	α-helix	trans	-72.7	-29.1	177.3	-59.1	0	0	0	0	113.3	C500 R675 R676 H677 R683	C500-C679 WeakPolarHBondContact CA-SG 3.33Å; C500-C679 HydrophobicContact CB-CB 3.69Å; C500-C679 WeakPolarHBondContact CB-SG 3.39Å; C500-C679 WeakPolarHBondContact SG-CA 3.38Å; C500-C679 WeakPolarHBondContact SG-CB 3.29Å; C500-C679 CovalentContact SG-SG 2.06Å; C500-C679 PolarHBondContact SG-SG 3.37Å; R675-C679 PolarHBondContact O-N 2.59Å; R675-C679 PolarHBondContact O-SG 3.39Å; R675-C679 VanDerWaalsContact O-SG 3.32Å; R676-C679 PolarHBondContact O-N 3.29Å; H677-C679 VanDerWaalsContact C-N 3.3Å; H677-C679 PolarHBondContact O-N 3.13Å; C679-R683 WeakPolarHBondContact O-CB 3.25Å; C679-R683 PolarHBondContact O-N 3.16Å
680	M	94.1	Very high	93.1	Very high	46 Å²	46	51.5 Å²	51.5	23%	0.227	24%	0.238	C	C	.	.	H	α-helix	trans	-68.1	-36.8	167.3	-70.2	-175.7	-53.8	0	0	111.6	R676 H677 E684 Q685	R676-M680 HydrophobicContact CG-CE 4.26Å; R676-M680 HydrophobicContact CG-SD 4.44Å; R676-M680 WeakPolarHBondContact O-CG 3.4Å; R676-M680 PolarHBondContact O-N 2.84Å; H677-M680 WeakPolarHBondContact O-CB 3.46Å; H677-M680 PolarHBondContact O-N 3.12Å; H677-M680 VanDerWaalsContact O-N 3.12Å; M680-E684 WeakPolarHBondContact O-CB 3.22Å; M680-E684 PolarHBondContact O-N 2.7Å; M680-Q685 PolarHBondContact O-N 2.68Å
681	F	96.4	Very high	93	Very high	7 Å²	7	52.5 Å²	52.5	3%	0.031	24%	0.242	C	C	.	.	I	π-helix	trans	-57.8	-51.7	174	168.1	-97.8	0	0	0	111.3	A463 T464 E467 Y468 H677 Y678 Q685 L686	A463-F681 HydrophobicContact CB-CE2 4.34Å; T464-F681 HydrophobicContact CG2-CE1 4.47Å; E467-F681 HydrophobicContact CB-CD2 4.18Å; E467-F681 HydrophobicContact CB-CE1 4.45Å; E467-F681 HydrophobicContact CB-CE2 4.04Å; E467-F681 HydrophobicContact CB-CG 4.46Å; E467-F681 HydrophobicContact CB-CZ 4.18Å; E467-F681 HydrophobicContact CG-CB 4.22Å; E467-F681 HydrophobicContact CG-CD1 4.06Å; E467-F681 HydrophobicContact CG-CD2 3.84Å; E467-F681 HydrophobicContact CG-CE1 4.41Å; E467-F681 HydrophobicContact CG-CE2 4.21Å; E467-F681 HydrophobicContact CG-CG 3.77Å; E467-F681 HydrophobicContact CG-CZ 4.48Å; Y468-F681 HydrophobicContact CE2-CD1 4.38Å; Y468-F681 HydrophobicContact CE2-CE1 4.42Å; H677-F681 PolarHBondContact O-N 3.42Å; Y678-F681 WeakPolarHBondContact O-CB 3.32Å; Y678-F681 PolarHBondContact O-N 3.1Å; F681-Q685 HydrophobicContact CD2-CB 4.45Å; F681-Q685 PolarHBondContact O-N 2.89Å; F681-L686 HydrophobicContact CE1-CB 4.46Å; F681-L686 HydrophobicContact CE1-CD2 4.14Å; F681-L686 HydrophobicContact CE2-CB 4.33Å; F681-L686 HydrophobicContact CE2-CD1 4.14Å; F681-L686 HydrophobicContact CZ-CB 4.19Å; F681-L686 HydrophobicContact CZ-CD1 3.79Å; F681-L686 HydrophobicContact CZ-CD2 4.1Å; F681-L686 HydrophobicContact CZ-CG 4.26Å; F681-L686 WeakPolarHBondContact O-CB 3.46Å; F681-L686 PolarHBondContact O-N 3.29Å
682	W	94.2	Very high	92.8	Very high	14 Å²	14	58.9 Å²	58.9	5%	0.053	26%	0.26	C	S	.	.	I	π-helix	trans	-68	-40.4	-179.9	-69.9	116.6	0	0	0	114.1	M451 T464 Y468 V492 Y496 Y678 L686 P687	M451-W682 HydrophobicContact CE-CH2 4.25Å; M451-W682 HydrophobicContact CE-CZ3 4.12Å; M451-W682 HydrophobicContact SD-CH2 3.7Å; M451-W682 HydrophobicContact SD-CZ3 4.02Å; T464-W682 HydrophobicContact CG2-CH2 3.65Å; T464-W682 HydrophobicContact CG2-CZ2 4Å; Y468-W682 AromaticContact CE2-CE2 3.94Å; Y468-W682 AromaticContact CE2-CZ2 3.7Å; Y468-W682 HydrophobicContact CE2-CZ2 3.7Å; Y468-W682 AromaticContact CE2-NE1 3.72Å; Y468-W682 AromaticContact CZ-NE1 3.66Å; Y468-W682 PolarHBondContact OH-NE1 3.05Å; V492-W682 HydrophobicContact CG1-CH2 4.2Å; V492-W682 HydrophobicContact CG1-CZ2 3.93Å; Y496-W682 AromaticContact CD2-CD2 3.69Å; Y496-W682 HydrophobicContact CD2-CD2 3.69Å; Y496-W682 AromaticContact CD2-CE3 3.4Å; Y496-W682 HydrophobicContact CD2-CE3 3.4Å; Y496-W682 VanDerWaalsContact CD2-CE3 3.4Å; Y496-W682 HydrophobicContact CD2-CG 4.24Å; Y496-W682 HydrophobicContact CD2-CH2 4.39Å; Y496-W682 AromaticContact CD2-CZ3 3.77Å; Y496-W682 HydrophobicContact CD2-CZ3 3.77Å; Y496-W682 AromaticContact CE2-CE3 3.97Å; Y496-W682 HydrophobicContact CE2-CE3 3.97Å; Y496-W682 HydrophobicContact CE2-CZ3 4.28Å; Y496-W682 HydrophobicContact CG-CD2 4.36Å; Y496-W682 HydrophobicContact CG-CE3 4.24Å; Y496-W682 HydrophobicContact CG-CH2 4.49Å; Y496-W682 HydrophobicContact CG-CZ3 4.29Å; Y678-W682 PolarHBondContact O-N 2.8Å; W682-L686 HydrophobicContact CE3-CD2 3.67Å; W682-L686 HydrophobicContact CH2-CD2 4.4Å; W682-L686 HydrophobicContact CZ3-CD2 3.41Å; W682-L686 VanDerWaalsContact CZ3-CD2 3.41Å; W682-P687 WeakPolarHBondContact O-CD 3.41Å; W682-P687 VanDerWaalsContact O-CG 3.3Å; W682-P687 WeakPolarHBondContact O-CG 3.08Å
683	R	88.8	Confident	92.5	Very high	72 Å²	72	57.1 Å²	57.1	27%	0.272	25%	0.254	S	S	.	.	I	π-helix	trans	-83	-33.6	-172.5	-171.4	179.5	67.6	-163.3	-1.5	113.5	D507 C679	D507-R683 IonicContact OD2-CZ 3.75Å; D507-R683 IonicContact OD2-NH1 2.68Å; D507-R683 PolarHBondContact OD2-NH1 2.6Å; C679-R683 WeakPolarHBondContact O-CB 3.25Å; C679-R683 PolarHBondContact O-N 3.16Å
684	E	90.3	Very high	92.1	Very high	86 Å²	86	58.5 Å²	58.5	40%	0.402	26%	0.261	S	S	.	.	I	π-helix	trans	-121.4	-57.6	-168.6	-64.2	172.4	-151.3	0	0	111.2	M680 M688	M680-E684 WeakPolarHBondContact O-CB 3.22Å; M680-E684 PolarHBondContact O-N 2.7Å; E684-M688 VanDerWaalsContact O-CB 3.28Å; E684-M688 WeakPolarHBondContact O-CB 3.45Å; E684-M688 WeakPolarHBondContact O-CG 3.46Å; E684-M688 PolarHBondContact O-N 3.21Å
685	Q	94	Very high	91.4	Very high	93 Å²	93	65.2 Å²	65.2	44%	0.435	29%	0.286	S	S	.	.	I	π-helix	trans	-69.2	-48.9	-168.2	-58.2	177.2	-18.3	0	0	112.7	M680 F681 M688 L689	M680-Q685 PolarHBondContact O-N 2.68Å; F681-Q685 HydrophobicContact CD2-CB 4.45Å; F681-Q685 PolarHBondContact O-N 2.89Å; Q685-M688 PolarHBondContact O-N 3.15Å; Q685-L689 WeakPolarHBondContact O-CB 3.44Å; Q685-L689 PolarHBondContact O-N 3.27Å
686	L	94	Very high	90.5	Very high	1 Å²	1	67.1 Å²	67.1	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-68.3	-43.7	-177.4	-166.1	71.2	0	0	0	112.3	M451 F455 L460 A463 F681 W682 L689 R690	M451-L686 HydrophobicContact CE-CD2 4.22Å; F455-L686 HydrophobicContact CB-CD2 4.46Å; F455-L686 HydrophobicContact CD1-CD2 3.97Å; F455-L686 HydrophobicContact CD1-CG 4.09Å; F455-L686 HydrophobicContact CD2-CD2 4.42Å; F455-L686 HydrophobicContact CE1-CD2 4.34Å; F455-L686 HydrophobicContact CE1-CG 4.35Å; F455-L686 HydrophobicContact CG-CD2 4.04Å; L460-L686 HydrophobicContact CB-CD1 4.03Å; L460-L686 HydrophobicContact CD2-CD1 3.78Å; L460-L686 HydrophobicContact CD2-CG 4.39Å; L460-L686 HydrophobicContact CG-CD1 4.49Å; A463-L686 HydrophobicContact CB-CD1 4.23Å; F681-L686 HydrophobicContact CE1-CB 4.46Å; F681-L686 HydrophobicContact CE1-CD2 4.14Å; F681-L686 HydrophobicContact CE2-CB 4.33Å; F681-L686 HydrophobicContact CE2-CD1 4.14Å; F681-L686 HydrophobicContact CZ-CB 4.19Å; F681-L686 HydrophobicContact CZ-CD1 3.79Å; F681-L686 HydrophobicContact CZ-CD2 4.1Å; F681-L686 HydrophobicContact CZ-CG 4.26Å; F681-L686 WeakPolarHBondContact O-CB 3.46Å; F681-L686 PolarHBondContact O-N 3.29Å; W682-L686 HydrophobicContact CE3-CD2 3.67Å; W682-L686 HydrophobicContact CH2-CD2 4.4Å; W682-L686 HydrophobicContact CZ3-CD2 3.41Å; W682-L686 VanDerWaalsContact CZ3-CD2 3.41Å; L686-L689 PolarHBondContact O-N 3.07Å; L686-R690 PolarHBondContact O-N 3.22Å
687	P	92.4	Very high	89.6	Confident	19 Å²	19	65.8 Å²	65.8	12%	0.123	31%	0.306	C	S	.	.	H	α-helix	trans	-60.4	-44.3	171.9	-26.7	37.3	0	0	0	113.3	F455 W682 L689 R690 E691 T724	F455-P687 HydrophobicContact CE1-CG 4.44Å; F455-P687 HydrophobicContact CZ-CG 4.44Å; W682-P687 WeakPolarHBondContact O-CD 3.41Å; W682-P687 VanDerWaalsContact O-CG 3.3Å; W682-P687 WeakPolarHBondContact O-CG 3.08Å; P687-L689 VanDerWaalsContact C-N 3.29Å; P687-L689 PolarHBondContact O-N 3.19Å; P687-R690 WeakPolarHBondContact O-CB 3.46Å; P687-R690 PolarHBondContact O-N 3.41Å; P687-E691 PolarHBondContact O-N 3.5Å; P687-T724 HydrophobicContact CB-CG2 3.99Å
688	M	92.4	Very high	88.5	Confident	96 Å²	96	63.4 Å²	63.4	47%	0.473	30%	0.303	S	S	.	.	H	α-helix	trans	-60.5	-39.5	176.3	-75.9	178.8	71.1	0	0	112.2	E684 Q685 E691 R692	E684-M688 VanDerWaalsContact O-CB 3.28Å; E684-M688 WeakPolarHBondContact O-CB 3.45Å; E684-M688 WeakPolarHBondContact O-CG 3.46Å; E684-M688 PolarHBondContact O-N 3.21Å; Q685-M688 PolarHBondContact O-N 3.15Å; M688-E691 PolarHBondContact O-N 3.47Å; M688-R692 WeakPolarHBondContact O-CG 3.36Å; M688-R692 PolarHBondContact O-N 3.23Å; M688-R692 VanDerWaalsContact O-N 3.16Å
689	L	92.4	Very high	86.6	Confident	60 Å²	60	63 Å²	63	31%	0.314	31%	0.308	S	S	.	.	H	α-helix	trans	-64.8	-42.9	176.4	-175.2	58	0	0	0	111.2	V459 L460 A463 Q685 L686 P687 R692 I693	V459-L689 HydrophobicContact CG1-CD2 4.16Å; L460-L689 HydrophobicContact CD2-CB 3.95Å; L460-L689 HydrophobicContact CD2-CD2 3.83Å; L460-L689 HydrophobicContact CD2-CG 3.7Å; A463-L689 HydrophobicContact CB-CD2 4.15Å; Q685-L689 WeakPolarHBondContact O-CB 3.44Å; Q685-L689 PolarHBondContact O-N 3.27Å; L686-L689 PolarHBondContact O-N 3.07Å; P687-L689 VanDerWaalsContact C-N 3.29Å; P687-L689 PolarHBondContact O-N 3.19Å; L689-R692 PolarHBondContact O-N 3.26Å; L689-I693 HydrophobicContact CG-CD1 4.27Å; L689-I693 WeakPolarHBondContact O-CG1 3.24Å; L689-I693 PolarHBondContact O-N 3.02Å; L689-I693 VanDerWaalsContact O-N 3.1Å
690	R	92.6	Very high	84.7	Confident	39 Å²	39	70 Å²	70	15%	0.147	34%	0.338	C	S	.	.	H	α-helix	trans	-58.5	-48.3	174.9	178.4	-172.4	175.9	-96	8.3	111.7	N454 L460 L686 P687 R692 I693 L694	N454-R690 WeakPolarHBondContact O-CD 3.45Å; N454-R690 PolarHBondContact O-NE 3.29Å; N454-R690 PolarHBondContact OD1-NH2 3.04Å; L460-R690 HydrophobicContact CD1-CB 3.84Å; L460-R690 HydrophobicContact CD1-CG 4.06Å; L460-R690 HydrophobicContact CD2-CB 4.24Å; L686-R690 PolarHBondContact O-N 3.22Å; P687-R690 WeakPolarHBondContact O-CB 3.46Å; P687-R690 PolarHBondContact O-N 3.41Å; R690-R692 VanDerWaalsContact C-N 3.32Å; R690-R692 PolarHBondContact O-N 2.89Å; R690-I693 PolarHBondContact O-N 3.48Å; R690-I693 VanDerWaalsContact O-N 3.15Å; R690-L694 HydrophobicContact CG-CD1 4.19Å; R690-L694 WeakPolarHBondContact O-CG 3.49Å; R690-L694 PolarHBondContact O-N 3.39Å
691	E	90	Very high	83	Confident	77 Å²	77	71.1 Å²	71.1	36%	0.36	35%	0.349	S	S	.	.	H	α-helix	trans	-58.8	-43	179.5	-73.9	-175.7	168.5	0	0	111.9	P687 M688 I693 L694 Y695 T724	P687-E691 PolarHBondContact O-N 3.5Å; M688-E691 PolarHBondContact O-N 3.47Å; E691-I693 PolarHBondContact O-N 3.23Å; E691-L694 PolarHBondContact O-N 3.32Å; E691-Y695 WeakPolarHBondContact O-CB 3.07Å; E691-Y695 PolarHBondContact O-N 3.5Å; E691-T724 WeakPolarHBondContact OE1-CB 3.19Å; E691-T724 WeakPolarHBondContact OE1-CG2 3.48Å; E691-T724 PolarHBondContact OE1-OG1 3.31Å; E691-T724 VanDerWaalsContact OE1-OG1 3.13Å
692	R	88.8	Confident	80.6	Confident	173 Å²	173	80.4 Å²	80.4	65%	0.653	38%	0.384	S	S	*	.	H	α-helix	trans	-62.9	-39	175.7	-73.7	-175.5	177.8	-153.9	0.8	113	M688 L689 R690 N696	M688-R692 WeakPolarHBondContact O-CG 3.36Å; M688-R692 PolarHBondContact O-N 3.23Å; M688-R692 VanDerWaalsContact O-N 3.16Å; L689-R692 PolarHBondContact O-N 3.26Å; R690-R692 VanDerWaalsContact C-N 3.32Å; R690-R692 PolarHBondContact O-N 2.89Å; R692-N696 WeakPolarHBondContact O-CB 3.38Å; R692-N696 PolarHBondContact O-N 2.8Å; R692-N696 PolarHBondContact O-ND2 3.38Å
693	I	85.6	Confident	78.2	Confident	46 Å²	46	87 Å²	87	24%	0.236	42%	0.416	C	S	.	.	H	α-helix	trans	-65.2	-45.9	177.4	-64	162.3	0	0	0	110.4	V459 L460 L689 R690 E691 N696 S697	V459-I693 HydrophobicContact CB-CD1 4.02Å; V459-I693 HydrophobicContact CG1-CD1 4.19Å; L460-I693 HydrophobicContact CD2-CD1 3.88Å; L460-I693 HydrophobicContact CG-CD1 4.02Å; L689-I693 HydrophobicContact CG-CD1 4.27Å; L689-I693 WeakPolarHBondContact O-CG1 3.24Å; L689-I693 PolarHBondContact O-N 3.02Å; L689-I693 VanDerWaalsContact O-N 3.1Å; R690-I693 PolarHBondContact O-N 3.48Å; R690-I693 VanDerWaalsContact O-N 3.15Å; E691-I693 PolarHBondContact O-N 3.23Å; I693-N696 PolarHBondContact O-N 3.1Å; I693-S697 PolarHBondContact O-N 2.99Å
694	L	83.3	Confident	76	Confident	71 Å²	71	88.3 Å²	88.3	37%	0.372	44%	0.436	S	S	.	.	H	α-helix	trans	-62.3	-45.7	177.8	-67.4	175.6	0	0	0	111.4	R690 E691 N696 S697 A698	R690-L694 HydrophobicContact CG-CD1 4.19Å; R690-L694 WeakPolarHBondContact O-CG 3.49Å; R690-L694 PolarHBondContact O-N 3.39Å; E691-L694 PolarHBondContact O-N 3.32Å; L694-N696 PolarHBondContact O-N 3.4Å; L694-S697 PolarHBondContact O-N 3.31Å; L694-S697 PolarHBondContact O-OG 2.68Å; L694-A698 PolarHBondContact O-N 3.39Å; L694-A698 VanDerWaalsContact O-N 3.15Å
695	Y	80.6	Confident	73.3	Confident	160 Å²	160	88.5 Å²	88.5	63%	0.627	44%	0.443	S	S	*	.	H	α-helix	trans	-58.8	-47.9	176.9	-175.3	-94.5	0	0	0	112.3	E691 S697 A698 C699	E691-Y695 WeakPolarHBondContact O-CB 3.07Å; E691-Y695 PolarHBondContact O-N 3.5Å; Y695-S697 VanDerWaalsContact C-N 3.29Å; Y695-S697 PolarHBondContact O-N 3.02Å; Y695-A698 PolarHBondContact O-N 2.64Å; Y695-C699 PolarHBondContact O-N 3.11Å
696	N	73.8	Confident	70.3	Confident	94 Å²	94	90 Å²	90	50%	0.503	46%	0.459	S	S	.	.	H	α-helix	trans	-63.9	-34	178.9	-76.5	-23.5	0	0	0	112.9	R692 I693 L694 A698 C699 K700	R692-N696 WeakPolarHBondContact O-CB 3.38Å; R692-N696 PolarHBondContact O-N 2.8Å; R692-N696 PolarHBondContact O-ND2 3.38Å; I693-N696 PolarHBondContact O-N 3.1Å; L694-N696 PolarHBondContact O-N 3.4Å; N696-A698 VanDerWaalsContact C-N 3.35Å; N696-C699 PolarHBondContact O-N 2.9Å; N696-K700 PolarHBondContact O-N 2.94Å
697	S	72.8	Confident	67.2	Low	68 Å²	68	97.8 Å²	97.8	48%	0.476	50%	0.495	S	S	.	.	H	α-helix	trans	-65.6	-38.3	175.7	76.5	0	0	0	0	112.2	I693 L694 Y695 K700 S701	I693-S697 PolarHBondContact O-N 2.99Å; L694-S697 PolarHBondContact O-N 3.31Å; L694-S697 PolarHBondContact O-OG 2.68Å; Y695-S697 VanDerWaalsContact C-N 3.29Å; Y695-S697 PolarHBondContact O-N 3.02Å; S697-K700 PolarHBondContact O-N 3.29Å; S697-S701 PolarHBondContact O-N 3.18Å
698	A	70.6	Confident	64	Low	49 Å²	49	105.9 Å²	105.9	41%	0.405	53%	0.525	S	S	.	.	H	α-helix	trans	-70.4	-32.8	175	0	0	0	0	0	112.8	L694 Y695 N696 S701 R702	L694-A698 PolarHBondContact O-N 3.39Å; L694-A698 VanDerWaalsContact O-N 3.15Å; Y695-A698 PolarHBondContact O-N 2.64Å; N696-A698 VanDerWaalsContact C-N 3.35Å; A698-S701 PolarHBondContact O-OG 3.19Å; A698-R702 PolarHBondContact O-N 3.3Å
699	C	55.5	Low	60.8	Low	45 Å²	45	109.7 Å²	109.7	30%	0.304	54%	0.541	S	S	.	.	H	α-helix	trans	-69.8	-39.8	172.6	-76.6	0	0	0	0	112.5	Y695 N696 R702 Q703	Y695-C699 PolarHBondContact O-N 3.11Å; N696-C699 PolarHBondContact O-N 2.9Å; C699-R702 PolarHBondContact O-N 3.29Å; C699-Q703 PolarHBondContact O-N 2.73Å
700	K	56.4	Low	57.7	Low	155 Å²	155	113.6 Å²	113.6	67%	0.674	57%	0.567	S	S	*	*	H	α-helix	trans	-65	-38.9	177.7	-77.8	-175.3	178.9	-177.2	0	112.5	N696 S697 R702 Q703 S704	N696-K700 PolarHBondContact O-N 2.94Å; S697-K700 PolarHBondContact O-N 3.29Å; K700-R702 VanDerWaalsContact C-N 3.26Å; K700-R702 PolarHBondContact O-N 3.3Å; K700-Q703 PolarHBondContact O-N 3.2Å; K700-S704 PolarHBondContact O-N 2.88Å; K700-S704 VanDerWaalsContact O-N 3.09Å; K700-S704 PolarHBondContact O-OG 3.5Å
701	S	57.2	Low	54.6	Low	68 Å²	68	118.2 Å²	118.2	48%	0.476	60%	0.6	S	S	.	*	H	α-helix	trans	-65.7	-29.8	175	62.8	0	0	0	0	112.8	S697 A698 S704 T705	S697-S701 PolarHBondContact O-N 3.18Å; A698-S701 PolarHBondContact O-OG 3.19Å; S701-S704 PolarHBondContact O-OG 3.08Å; S701-T705 PolarHBondContact O-OG1 2.89Å
702	R	47.1	Very low	51.7	Low	203 Å²	203	121.5 Å²	121.5	77%	0.766	62%	0.62	S	S	*	*	H	α-helix	trans	-76.8	-28.3	172.6	-75.5	-178.3	176.4	-177.4	-0.6	114.1	A698 C699 K700 T705	A698-R702 PolarHBondContact O-N 3.3Å; C699-R702 PolarHBondContact O-N 3.29Å; K700-R702 VanDerWaalsContact C-N 3.26Å; K700-R702 PolarHBondContact O-N 3.3Å; R702-T705 PolarHBondContact O-OG1 2.82Å
703	Q	44.6	Very low	48.9	Very low	151 Å²	151	117.7 Å²	117.7	71%	0.706	61%	0.613	S	S	*	*	H	α-helix	trans	-83.2	-27.8	177.9	-78.2	-175.8	-21.6	0	0	113.4	C699 K700 T705	C699-Q703 PolarHBondContact O-N 2.73Å; K700-Q703 PolarHBondContact O-N 3.2Å; Q703-T705 PolarHBondContact O-N 3.42Å
704	S	40.8	Very low	46.1	Very low	100 Å²	100	120.3 Å²	120.3	70%	0.699	63%	0.626	S	S	*	*	S	Bend	trans	-79.6	-0.9	173.7	62	0	0	0	0	114.1	K700 S701	K700-S704 PolarHBondContact O-N 2.88Å; K700-S704 VanDerWaalsContact O-N 3.09Å; K700-S704 PolarHBondContact O-OG 3.5Å; S701-S704 PolarHBondContact O-OG 3.08Å
705	T	35.1	Very low	43.5	Very low	90 Å²	90	125.1 Å²	125.1	55%	0.552	65%	0.646	S	S	*	*			trans	-110.4	65.1	174.8	33.7	0	0	0	0	110	S701 R702 Q703	S701-T705 PolarHBondContact O-OG1 2.89Å; R702-T705 PolarHBondContact O-OG1 2.82Å; Q703-T705 PolarHBondContact O-N 3.42Å
706	T	31.3	Very low	40.8	Very low	125 Å²	125	127.7 Å²	127.7	77%	0.767	66%	0.661	S	S	*	*	S	Bend	trans	-110.3	50	160.9	36.9	0	0	0	0	109.9
707	Q	27.2	Very low	38.4	Very low	164 Å²	164	130.3 Å²	130.3	77%	0.766	67%	0.67	S	S	*	*	S	Bend	trans	-178.4	125.3	155.1	-107.7	170.7	8.7	0	0	108.3
708	Y	26.5	Very low	36	Very low	189 Å²	189	132.3 Å²	132.3	74%	0.741	68%	0.681	S	S	*	*	S	Bend	trans	77	112.2	171	-64.7	-83.2	0	0	0	119.6
709	E	25.1	Very low	34	Very low	177 Å²	177	134.2 Å²	134.2	83%	0.827	69%	0.688	S	S	*	*			trans	65.3	100.1	134	-71.7	177.4	163.3	0	0	119.6
710	V	26.8	Very low	32.7	Very low	141 Å²	141	135.7 Å²	135.7	86%	0.855	69%	0.69	S	S	*	*			trans	-51.6	116.7	154.5	176.8	0	0	0	0	111.4
711	T	27.8	Very low	31.4	Very low	137 Å²	137	131.2 Å²	131.2	84%	0.84	68%	0.678	S	S	*	*			trans	-156.9	126.8	140.7	44.8	0	0	0	0	111
712	N	29.1	Very low	30.2	Very low	145 Å²	145	131.7 Å²	131.7	78%	0.775	67%	0.672	S	S	*	*			trans	-82.7	151.1	171.3	-77.3	-29.8	0	0	0	110.8
713	D	30.5	Very low	29.3	Very low	93 Å²	93	124.5 Å²	124.5	50%	0.497	66%	0.661	S	S	.	*				176.6	150.9	95.8	-122.5	-11.4	0	0	0	117.2	N736 T737	D713-N736 VanDerWaalsContact OD2-C 3.25Å; D713-N736 WeakPolarHBondContact OD2-CA 3.43Å; D713-T737 PolarHBondContact OD2-N 2.68Å
714	I	26.3	Very low	28.5	Very low	102 Å²	102	120.4 Å²	120.4	52%	0.523	65%	0.646	S	S	.	*			trans	76	95.1	149.3	-54.6	151.6	0	0	0	121.2	T737	I714-T737 HydrophobicContact CD1-CG2 3.33Å
715	H	28.1	Very low	27.9	Very low	172 Å²	172	122.1 Å²	122.1	80%	0.796	65%	0.647	S	S	*	*				-163.7	87.8	115.5	-100.7	-64	0	0	0	108	Q717	H715-Q717 VanDerWaalsContact C-N 3.33Å; H715-Q717 PolarHBondContact O-N 3.17Å
716	K	24.2	Very low	27.5	Very low	213 Å²	213	127.4 Å²	127.4	93%	0.926	66%	0.658	S	S	*	*			trans	-84.5	85.9	160.1	-79.6	-176.5	177.8	177.8	0	107
717	Q	24.6	Very low	27.1	Very low	150 Å²	150	126.7 Å²	126.7	70%	0.701	66%	0.656	S	S	*	*			trans	-75.8	137.3	152.3	-77.1	-171.6	-34.5	0	0	107.1	H715 V719	H715-Q717 VanDerWaalsContact C-N 3.33Å; H715-Q717 PolarHBondContact O-N 3.17Å; Q717-V719 PolarHBondContact O-N 3.12Å
718	P	22.5	Very low	27	Very low	109 Å²	109	125.8 Å²	125.8	71%	0.708	66%	0.656	S	S	*	*			trans	-64.1	111.8	163.6	23.7	-19	0	0	0	105.8	E720	P718-E720 VanDerWaalsContact C-N 3.28Å; P718-E720 PolarHBondContact O-N 3.16Å
719	V	28.3	Very low	26.9	Very low	89 Å²	89	124 Å²	124	54%	0.539	66%	0.658	S	S	.	*			trans	-62.5	107.4	154.2	177.4	0	0	0	0	103.4	Q717 S721	Q717-V719 PolarHBondContact O-N 3.12Å; V719-S721 PolarHBondContact O-N 3.07Å
720	E	28.5	Very low	26.8	Very low	77 Å²	77	123.3 Å²	123.3	36%	0.36	66%	0.658	S	S	.	*			trans	-61.8	83.5	176.5	-67.1	-173.1	160.2	0	0	107.6	S282 T285 P718	S282-E720 WeakPolarHBondContact CB-OE1 3.29Å; S282-E720 PolarHBondContact OG-OE1 3.39Å; S282-E720 PolarHBondContact OG-OE2 2.61Å; T285-E720 PolarHBondContact OG1-OE2 2.98Å; P718-E720 VanDerWaalsContact C-N 3.28Å; P718-E720 PolarHBondContact O-N 3.16Å
721	S	29	Very low	26.6	Very low	61 Å²	61	125.7 Å²	125.7	43%	0.427	66%	0.657	S	S	.	*			trans	-94.4	117.4	-178.2	60.4	0	0	0	0	109.2	V719	V719-S721 PolarHBondContact O-N 3.07Å
722	F	32	Very low	26.4	Very low	78 Å²	78	124.7 Å²	124.7	34%	0.342	66%	0.656	S	S	.	*			trans	-52.2	145.7	166.4	-78.8	-89.5	0	0	0	111.6	W277 T724	W277-F722 HydrophobicContact CB-CD1 4.36Å; W277-F722 HydrophobicContact CB-CD2 4.17Å; W277-F722 HydrophobicContact CB-CE1 3.85Å; W277-F722 HydrophobicContact CB-CE2 3.63Å; W277-F722 HydrophobicContact CB-CZ 3.47Å; W277-F722 VanDerWaalsContact CB-CZ 3.47Å; F722-T724 PolarHBondContact O-N 2.66Å
723	G	27.2	Very low	26.1	Very low	51 Å²	51	122.9 Å²	122.9	53%	0.526	65%	0.654	S	S	.	*			trans	-47.7	112.6	-167.2	0	0	0	0	0	115.4
724	T	27.9	Very low	25.7	Very low	66 Å²	66	126.3 Å²	126.3	41%	0.405	67%	0.667	S	S	.	*			trans	-88.4	113.6	145.8	47.4	0	0	0	0	108	P687 E691 F722 Y726	P687-T724 HydrophobicContact CB-CG2 3.99Å; E691-T724 WeakPolarHBondContact OE1-CB 3.19Å; E691-T724 WeakPolarHBondContact OE1-CG2 3.48Å; E691-T724 PolarHBondContact OE1-OG1 3.31Å; E691-T724 VanDerWaalsContact OE1-OG1 3.13Å; F722-T724 PolarHBondContact O-N 2.66Å; T724-Y726 PolarHBondContact O-N 3.47Å
725	L	27.9	Very low	25.7	Very low	135 Å²	135	129.5 Å²	129.5	71%	0.707	68%	0.678	S	S	*	*			trans	-66.5	91.8	173	-88	157.3	0	0	0	110.1
726	Y	26.2	Very low	25.6	Very low	202 Å²	202	126.5 Å²	126.5	79%	0.792	67%	0.667	S	S	*	*			trans	-157.8	111	150.7	-79.8	-69.7	0	0	0	110.9	T724	T724-Y726 PolarHBondContact O-N 3.47Å
727	P	24	Very low	25.7	Very low	110 Å²	110	119.5 Å²	119.5	71%	0.714	64%	0.643	S	S	*	*			trans	-87	117.5	166	31.9	-24.3	0	0	0	109
728	N	24.3	Very low	25.7	Very low	144 Å²	144	118 Å²	118	77%	0.77	64%	0.644	S	S	*	*			trans	164	136.1	131.4	-89.2	-38.3	0	0	0	115.9
729	I	23.7	Very low	26	Very low	152 Å²	152	121.7 Å²	121.7	78%	0.779	65%	0.649	S	S	*	*			trans	77	110.7	152.8	-55.5	152.1	0	0	0	114.3
730	I	24.7	Very low	25.9	Very low	162 Å²	162	128.2 Å²	128.2	83%	0.831	66%	0.664	S	S	*	*				-157	143.9	75.1	-71.9	171.8	0	0	0	111.4
731	K	21.6	Very low	25.8	Very low	191 Å²	191	130.5 Å²	130.5	83%	0.83	68%	0.678	S	S	*	*			trans	-83.5	168.3	176.8	-79.1	179.1	171.4	178.5	0	114.5
732	S	23.4	Very low	25.5	Very low	117 Å²	117	135.8 Å²	135.8	82%	0.818	70%	0.696	S	S	*	*			trans	88.4	144.6	163.4	78.6	0	0	0	0	117.3
733	S	22.9	Very low	25.2	Very low	107 Å²	107	137.1 Å²	137.1	75%	0.748	72%	0.722	S	S	*	*			cis	-179.8	126.6	-18.2	47.6	0	0	0	0	107.8
734	E	23.2	Very low	25	Very low	165 Å²	165	140.3 Å²	140.3	77%	0.771	74%	0.736	S	S	*	*			trans	50.8	132	139.7	-85	178.8	-170.6	0	0	127.4
735	F	25.8	Very low	24.8	Very low	168 Å²	168	147.6 Å²	147.6	74%	0.737	76%	0.758	S	S	*	*			trans	69.8	147.6	145.3	-73.3	-62.4	0	0	0	121.9
736	N	25.1	Very low	24.7	Very low	109 Å²	109	148.5 Å²	148.5	58%	0.583	76%	0.763	S	S	*	*			cis	-171	140.5	-13.6	-153	-5.6	0	0	0	110.8	D713	D713-N736 VanDerWaalsContact OD2-C 3.25Å; D713-N736 WeakPolarHBondContact OD2-CA 3.43Å
737	T	27.6	Very low	24.8	Very low	67 Å²	67	146.8 Å²	146.8	41%	0.411	77%	0.767	S	S	.	*			trans	15.4	144.3	151.6	53	0	0	0	0	122.7	D713 I714	D713-T737 PolarHBondContact OD2-N 2.68Å; I714-T737 HydrophobicContact CD1-CG2 3.33Å
738	T	24.9	Very low	24.9	Very low	117 Å²	117	150.1 Å²	150.1	72%	0.718	77%	0.773	S	S	*	*				179.1	157.4	63	-25.6	0	0	0	0	115
739	K	28.2	Very low	25.1	Very low	188 Å²	188	151.7 Å²	151.7	82%	0.817	78%	0.78	S	S	*	*			trans	88.8	110.4	153.4	-69.9	-177.3	-177.6	174.6	0	119.6
740	R	26.4	Very low	25.4	Very low	225 Å²	225	154.1 Å²	154.1	85%	0.849	79%	0.785	S	S	*	*				92.1	111	70.4	-112.6	-169.5	-170.7	177.2	3.1	113.9
741	N	25.5	Very low	25.7	Very low	125 Å²	125	151.2 Å²	151.2	67%	0.668	78%	0.775	S	S	*	*				167.8	140.3	107	-93.8	-4.7	0	0	0	116.1
742	Q	23.5	Very low	26.1	Very low	172 Å²	172	149.3 Å²	149.3	80%	0.804	77%	0.774	S	S	*	*			trans	67.5	103.2	139.5	-76.6	163.3	-50.8	0	0	122.1
743	A	25.1	Very low	26.6	Very low	106 Å²	106	152.8 Å²	152.8	88%	0.876	77%	0.77	S	S	*	*				-161.4	94.1	119.1	0	0	0	0	0	110.5
744	S	22.5	Very low	27.2	Very low	118 Å²	118	154.5 Å²	154.5	83%	0.825	77%	0.769	S	S	*	*			trans	-127.2	95.8	168.5	-49.2	0	0	0	0	106.9
745	Y	24.3	Very low	27.7	Very low	220 Å²	220	152.4 Å²	152.4	86%	0.863	76%	0.763	S	S	*	*			trans	-165.2	122.5	161.5	-136.9	-100.2	0	0	0	109.3
746	N	26.8	Very low	28.1	Very low	153 Å²	153	147.6 Å²	147.6	82%	0.818	75%	0.75	S	S	*	*			trans	115.9	39	177.1	-61.5	-25.3	0	0	0	116.4
747	L	26.9	Very low	28.5	Very low	167 Å²	167	148.5 Å²	148.5	87%	0.874	75%	0.754	S	S	*	*			trans	-112	61.6	162.8	-163	87.5	0	0	0	110.2
748	Q	26.9	Very low	28.8	Very low	180 Å²	180	154 Å²	154	84%	0.841	77%	0.769	S	S	*	*	S	Bend	trans	-161	51.2	177.6	-154.1	127	18.3	0	0	114.9
749	L	27.5	Very low	29.5	Very low	176 Å²	176	154.5 Å²	154.5	92%	0.921	77%	0.766	S	S	*	*	S	Bend	trans	-169	20.2	164.9	-105.7	158.2	0	0	0	118
750	K	30.3	Very low	29.9	Very low	203 Å²	203	151 Å²	151	88%	0.883	76%	0.755	S	S	*	*	S	Bend	trans	-136.7	24.2	177.4	-85.8	-172.9	176.4	179.3	0	116
751	V	31.4	Very low	30.1	Very low	102 Å²	102	150.5 Å²	150.5	62%	0.618	76%	0.755	S	S	*	*	S	Bend	trans	-101.9	-5	-178.4	176.1	0	0	0	0	113.6
752	N	29.9	Very low	30.5	Very low	150 Å²	150	153.3 Å²	153.3	80%	0.802	76%	0.757	S	S	*	*	S	Bend	trans	-111.8	23.8	-172.1	-76	-12.6	0	0	0	116.7
753	Y	33	Very low	30.9	Very low	191 Å²	191	155 Å²	155	75%	0.749	76%	0.758	S	S	*	*	S	Bend	trans	-133.3	-3.8	178.5	-154.5	-101.7	0	0	0	115.7
754	I	36.6	Very low	31.1	Very low	142 Å²	142	157 Å²	157	73%	0.728	75%	0.748	S	S	*	*	S	Bend	trans	-113.3	-13.7	-179.1	-63.6	178.4	0	0	0	112
755	L	33.6	Very low	31.5	Very low	122 Å²	122	159.3 Å²	159.3	64%	0.639	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-9.4	175.3	-86.4	153.4	0	0	0	114.3
756	S	33.7	Very low	31.7	Very low	67 Å²	67	159.2 Å²	159.2	47%	0.469	75%	0.751	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.8	-4.7	-179.6	5.8	0	0	0	0	114.5	I760	S756-I760 WeakPolarHBondContact O-CD1 3.23Å
757	L	35	Very low	31.8	Very low	127 Å²	127	161.4 Å²	161.4	67%	0.665	75%	0.749	S	S	*	*	S	Bend	trans	-106.2	-9.3	-178.4	-80.1	163	0	0	0	114.4
758	Y	34	Very low	32	Very low	184 Å²	184	161.5 Å²	161.5	72%	0.722	74%	0.743	S	S	*	*	S	Bend	trans	-96.5	-17.6	178.3	-122.9	-97	0	0	0	113.8
759	I	38.5	Very low	32	Very low	127 Å²	127	160.7 Å²	160.7	65%	0.651	74%	0.744	S	S	*	*	S	Bend	trans	-87.7	-11.9	177.5	-68	172.9	0	0	0	112
760	I	35.6	Very low	31.8	Very low	115 Å²	115	166 Å²	166	59%	0.59	75%	0.754	S	S	*	*	S	Bend	trans	-90.9	-15.1	-179.3	-64.3	177.4	0	0	0	112.5	S756	S756-I760 WeakPolarHBondContact O-CD1 3.23Å
761	Y	32.5	Very low	31.9	Very low	214 Å²	214	164.1 Å²	164.1	84%	0.839	75%	0.748	S	S	*	*	S	Bend	trans	-89.1	-3.1	-177.5	-138.5	-90.8	0	0	0	114.8
762	Y	32.9	Very low	31.9	Very low	184 Å²	184	167.4 Å²	167.4	72%	0.722	75%	0.754	S	S	*	*	S	Bend	trans	-118	6.8	-177	-111.4	-88.1	0	0	0	114.9
763	Y	32.5	Very low	32	Very low	208 Å²	208	168.3 Å²	168.3	82%	0.816	75%	0.752	S	S	*	*	S	Bend	trans	-131.8	24.6	-176.1	-99.8	-77.3	0	0	0	115.1
764	H	29.2	Very low	32	Very low	147 Å²	147	167 Å²	167	68%	0.681	75%	0.752	S	S	*	*			trans	-136.4	37.1	-173.8	-124.8	-65	0	0	0	117.1
765	D	30.8	Very low	31.7	Very low	167 Å²	167	168.6 Å²	168.6	89%	0.893	75%	0.753	S	S	*	*	S	Bend	trans	-114.4	15	167.8	-93.9	-17.5	0	0	0	114.2
766	Y	28.5	Very low	31.5	Very low	217 Å²	217	171.7 Å²	171.7	85%	0.851	76%	0.761	S	S	*	*	S	Bend	trans	-123.6	88.9	164	-93.2	-92.8	0	0	0	107.4
767	Y	28	Very low	31.4	Very low	200 Å²	200	179.1 Å²	179.1	78%	0.784	78%	0.782	S	S	*	*			trans	163.1	131	142.1	-97.6	-76.5	0	0	0	111
768	F	30.8	Very low	31.1	Very low	169 Å²	169	183.2 Å²	183.2	74%	0.741	79%	0.791	S	S	*	*			trans	96.7	90.4	167.4	-70.3	-82.7	0	0	0	119.1	Y770	F768-Y770 PolarHBondContact O-N 3.49Å
769	D	27.5	Very low	30.9	Very low	162 Å²	162	183.1 Å²	183.1	87%	0.866	80%	0.797	S	S	*	*				-48.2	113.6	119.3	-88.7	-40.5	0	0	0	108.9
770	Y	23.8	Very low	30.2	Very low	287 Å²	287	188.2 Å²	188.2	100%	1.125	81%	0.81	S	S	*	*			trans	-177.7	0	141.8	-112.3	-74.7	0	0	0	111.4	F768	F768-Y770 PolarHBondContact O-N 3.49Å

Retrieved 770 of 770 residues in 677.3 ms (Link to these results)

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