GIMA5_HUMAN Loading...

GTPase IMAP family member 5

Plays a role in T lymphocyte development and the optimal generation of CD4/CD8 double-positive thymocytes (By similarity). Inhibitor of GSK3A, possibly by sequestering GSK3A in cytoplasmic vesicles and impairing its translocation to the nucleus. Consequently, impairs GSK3A-dependent transcriptional program and regulation of the DNA damage response occurring during T cells proliferation¹. Required for the survival of peripheral T cells, natural killer (NK) and NK T-cell development and the maintenance of normal liver function (By similarity). May promote the survival of mature T lymphocytes upon cytokine withdrawal (By similarity). May regulate Ca(2+) homeostasis by modulating lysosomal Ca(2+) stores, preventing its accumulation in the absence of T cell activation (By similarity). May play a role in mitochondrial DNA segregation in hematopoietic tissues (By similarity). Is a regulator of liver endothelial cell homeostasis (By similarity).

AlphaFold DB , UniProt , Accession Q96F15, Species HUMAN (Homo sapiens, Human), Gene GIMAP5, Length 307 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.1	Very low	36.5	Very low	251 Å²	251	159.4 Å²	159.4	100%	1.236	88%	0.884	S	S	*	*				0	134.8	0	-81.1	176.6	169	0	0	108.5
2	G	36.8	Very low	36	Very low	89 Å²	89	161.3 Å²	161.3	92%	0.918	89%	0.886	S	S	*	*			trans	-68.5	172.4	-164.3	0	0	0	0	0	116.2
3	G	36.7	Very low	36.1	Very low	76 Å²	76	156.4 Å²	156.4	78%	0.784	88%	0.879	S	S	*	*			trans	178.1	53.6	176.7	0	0	0	0	0	112.7	Q5	G3-Q5 PolarHBondContact O-N 3.4Å
4	F	30.3	Very low	35.8	Very low	186 Å²	186	158.7 Å²	158.7	82%	0.816	88%	0.88	S	S	*	*			trans	-63.7	120.5	160.2	-116.5	-103.8	0	0	0	108.2
5	Q	40.2	Very low	35.4	Very low	196 Å²	196	153 Å²	153	92%	0.916	87%	0.871	S	S	*	*			trans	-128.3	110.1	156.4	-80.3	-162.6	-13.3	0	0	109.9	G3	G3-Q5 PolarHBondContact O-N 3.4Å
6	R	34.1	Very low	35.3	Very low	230 Å²	230	156.2 Å²	156.2	87%	0.868	87%	0.865	S	S	*	*			trans	-78.8	119.8	163.2	-80.8	173.9	164.4	174.3	-4.7	108.5
7	G	40.3	Very low	35.4	Very low	74 Å²	74	153.5 Å²	153.5	76%	0.763	86%	0.859	S	S	*	*			trans	-117.6	101.4	152.5	0	0	0	0	0	107.3
8	K	41.5	Very low	35.4	Very low	195 Å²	195	152.3 Å²	152.3	85%	0.848	85%	0.846	S	S	*	*				54.2	98	92	-91.2	-170.8	178.1	-179.9	0	114.3
9	Y	31.8	Very low	35.6	Very low	242 Å²	242	152.6 Å²	152.6	95%	0.949	85%	0.846	S	S	*	*			trans	14.3	113.4	144.2	-64.2	-83.6	0	0	0	117.8
10	G	35.3	Very low	35.7	Very low	76 Å²	76	152.2 Å²	152.2	78%	0.784	84%	0.842	S	S	*	*			trans	-130.4	124.3	160	0	0	0	0	0	109.1
11	T	34.5	Very low	36	Very low	138 Å²	138	153.2 Å²	153.2	85%	0.847	85%	0.845	S	S	*	*			trans	-53.7	147.2	-171	-55.9	0	0	0	0	115.8	A13	T11-A13 PolarHBondContact O-N 3.26Å
12	M	30.6	Very low	36.2	Very low	183 Å²	183	146.5 Å²	146.5	90%	0.901	82%	0.823	S	S	*	*			trans	-44.2	111.8	165.3	-64.2	-107.6	-100.9	0	0	111.6
13	A	36.8	Very low	36.9	Very low	97 Å²	97	147 Å²	147	80%	0.802	82%	0.819	S	S	*	*			trans	-98.1	113.4	155.5	0	0	0	0	0	106.6	T11 G15	T11-A13 PolarHBondContact O-N 3.26Å; A13-G15 PolarHBondContact O-N 3.45Å
14	E	31.8	Very low	37.4	Very low	189 Å²	189	148.4 Å²	148.4	88%	0.883	81%	0.812	S	S	*	*			trans	-56.7	95.1	172.5	-73	170.1	137.2	0	0	109.7	R16	E14-R16 PolarHBondContact O-N 3.02Å
15	G	30.7	Very low	39	Very low	73 Å²	73	142.9 Å²	142.9	75%	0.753	80%	0.795	S	S	*	*			trans	-72	80.3	156.2	0	0	0	0	0	107.8	A13 S17	A13-G15 PolarHBondContact O-N 3.45Å; G15-S17 VanDerWaalsContact C-N 3.3Å; G15-S17 PolarHBondContact O-N 3.45Å
16	R	33	Very low	40.9	Very low	204 Å²	204	137.9 Å²	137.9	77%	0.77	78%	0.779	S	S	*	*			trans	-61.8	98.7	164.4	-163.1	-178	-163.6	-170.2	9.8	106.1	E14 E18	E14-R16 PolarHBondContact O-N 3.02Å; R16-E18 HydrophobicContact CG-CG 4.12Å; R16-E18 IonicContact CZ-OE1 2.84Å; R16-E18 IonicContact NE-OE1 3.94Å; R16-E18 IonicContact NH1-OE1 3.19Å; R16-E18 PolarHBondContact NH1-OE1 2.94Å; R16-E18 PolarHBondContact O-N 3.42Å
17	S	38	Very low	43.6	Very low	110 Å²	110	128 Å²	128	77%	0.769	75%	0.747	S	S	*	*			trans	-67.1	82.8	169.6	56	0	0	0	0	107.8	G15 D19	G15-S17 VanDerWaalsContact C-N 3.3Å; G15-S17 PolarHBondContact O-N 3.45Å; S17-D19 PolarHBondContact O-N 3.01Å
18	E	34.8	Very low	46.2	Very low	133 Å²	133	124.5 Å²	124.5	62%	0.621	71%	0.711	S	S	*	*			trans	-74.3	65.9	163.1	-72.1	-175.2	173	0	0	108.9	R16	R16-E18 HydrophobicContact CG-CG 4.12Å; R16-E18 IonicContact CZ-OE1 2.84Å; R16-E18 IonicContact NE-OE1 3.94Å; R16-E18 IonicContact NH1-OE1 3.19Å; R16-E18 PolarHBondContact NH1-OE1 2.94Å; R16-E18 PolarHBondContact O-N 3.42Å
19	D	38.5	Very low	48.9	Very low	158 Å²	158	116.2 Å²	116.2	85%	0.845	67%	0.674	S	S	*	*			trans	-97.3	53.5	159.3	-79	-11.5	0	0	0	108.8	S17	S17-D19 PolarHBondContact O-N 3.01Å
20	N	38.2	Very low	52.1	Low	143 Å²	143	104.8 Å²	104.8	77%	0.765	63%	0.629	S	S	*	*			trans	-100.6	114.3	151	-80.3	-28.4	0	0	0	105.4
21	L	42.6	Very low	55.1	Low	174 Å²	174	101.1 Å²	101.1	91%	0.911	59%	0.592	S	S	*	*			trans	141.9	75.8	151.6	-73.9	150.8	0	0	0	113.4
22	S	44.6	Very low	58.1	Low	110 Å²	110	94.6 Å²	94.6	77%	0.769	55%	0.552	S	S	*	*				-166.9	63.5	125.3	56.6	0	0	0	0	109.7	T24	S22-T24 PolarHBondContact O-N 3.25Å
23	A	50.8	Low	61.3	Low	100 Å²	100	85.9 Å²	85.9	83%	0.826	51%	0.509	S	S	*	.			trans	-62.3	92.3	162.2	0	0	0	0	0	106.8	P25	A23-P25 WeakPolarHBondContact O-CD 3.38Å; A23-P25 VanDerWaalsContact O-N 3.07Å
24	T	48	Very low	64.2	Low	105 Å²	105	81.3 Å²	81.3	64%	0.644	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-51.9	121.4	171	-63.9	0	0	0	0	105.7	S22	S22-T24 PolarHBondContact O-N 3.25Å
25	P	62.1	Low	67.1	Low	70 Å²	70	73.5 Å²	73.5	46%	0.455	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-54.3	136.3	-177.6	18.3	-29.5	0	0	0	108.6	A23 A27	A23-P25 WeakPolarHBondContact O-CD 3.38Å; A23-P25 VanDerWaalsContact O-N 3.07Å; P25-A27 PolarHBondContact O-N 2.96Å
26	P	80.5	Confident	70	Confident	91 Å²	91	71.9 Å²	71.9	59%	0.591	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-53.8	138.9	-177.4	19.2	-30.1	0	0	0	109.9	L28	P26-L28 PolarHBondContact O-N 3.43Å
27	A	91.2	Very high	72.8	Confident	22 Å²	22	65.2 Å²	65.2	18%	0.182	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-55	132.1	-174.8	0	0	0	0	0	110.6	P25 R29 K77 H112	P25-A27 PolarHBondContact O-N 2.96Å; A27-R29 PolarHBondContact O-N 3.29Å; A27-R29 PolarHBondContact O-NH1 3.44Å; A27-K77 CarbonylContact C-O 3.52Å; A27-K77 VanDerWaalsContact CA-O 3.27Å; A27-K77 WeakPolarHBondContact CA-O 3.42Å; A27-K77 HydrophobicContact CB-CB 3.96Å; A27-K77 HydrophobicContact CB-CD 3.97Å; A27-K77 HydrophobicContact CB-CG 3.87Å; A27-H112 PolarHBondContact O-CE1 3.48Å
28	L	95.3	Very high	75.5	Confident	2 Å²	2	60 Å²	60	1%	0.01	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	126.7	169.2	179.2	67.4	0	0	0	107.9	P26 I30 W73 K77 V78 L79 H112 V113 I207	P26-L28 PolarHBondContact O-N 3.43Å; L28-I30 HydrophobicContact CD2-CD1 4.03Å; L28-I30 HydrophobicContact CD2-CG1 4.31Å; L28-I30 HydrophobicContact CG-CD1 4.4Å; L28-I30 HydrophobicContact CG-CG1 4.14Å; L28-W73 HydrophobicContact CD2-CE3 4.02Å; L28-W73 HydrophobicContact CD2-CZ3 3.76Å; L28-K77 PolarHBondContact N-O 2.95Å; L28-V78 HydrophobicContact CB-CG2 4.34Å; L28-V78 HydrophobicContact CD2-CG1 4.32Å; L28-V78 HydrophobicContact CD2-CG2 4.31Å; L28-V78 CarbonylContact O-C 3.48Å; L28-V78 WeakPolarHBondContact O-CA 3.49Å; L28-L79 PolarHBondContact O-N 3.21Å; L28-H112 HydrophobicContact CD1-CB 3.67Å; L28-V113 HydrophobicContact CD1-CG2 4.44Å; L28-I207 HydrophobicContact CD1-CG2 3.73Å; L28-I207 HydrophobicContact CD2-CD1 4.22Å; L28-I207 HydrophobicContact CD2-CG2 3.99Å
29	R	97.5	Very high	78.3	Confident	21 Å²	21	54.6 Å²	54.6	8%	0.079	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	115.8	-176.7	-66.1	178.5	-59.9	-78.7	-4.9	109.1	A27 L79 S107 G110 H112 V113 F218	A27-R29 PolarHBondContact O-N 3.29Å; A27-R29 PolarHBondContact O-NH1 3.44Å; R29-L79 HydrophobicContact CB-CD2 4.48Å; R29-L79 HydrophobicContact CG-CB 4.31Å; R29-L79 HydrophobicContact CG-CD2 4.28Å; R29-S107 WeakPolarHBondContact CD-O 3.34Å; R29-S107 PolarHBondContact NE-O 3.37Å; R29-G110 PolarHBondContact NE-O 2.62Å; R29-G110 PolarHBondContact NH2-O 2.79Å; R29-H112 PolarHBondContact N-ND1 3.25Å; R29-H112 PolarHBondContact NH1-CE1 3.27Å; R29-H112 VanDerWaalsContact NH1-CE1 3.35Å; R29-H112 PolarHBondContact NH2-CE1 2.98Å; R29-H112 VanDerWaalsContact NH2-CE1 3.28Å; R29-H112 PolarHBondContact O-N 2.92Å; R29-V113 PolarHBondContact O-N 3.49Å; R29-F218 VanDerWaalsContact NH2-CD1 3.28Å; R29-F218 VanDerWaalsContact NH2-CG 3.34Å
30	I	98.3	Very high	81.1	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.005	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	128	-178.6	-53.4	178.4	0	0	0	107.9	L28 L32 W73 V78 L79 V80 V81 V113 L115 I207	L28-I30 HydrophobicContact CD2-CD1 4.03Å; L28-I30 HydrophobicContact CD2-CG1 4.31Å; L28-I30 HydrophobicContact CG-CD1 4.4Å; L28-I30 HydrophobicContact CG-CG1 4.14Å; I30-L32 HydrophobicContact CG2-CD2 4.16Å; I30-W73 HydrophobicContact CD1-CH2 4.19Å; I30-W73 HydrophobicContact CD1-CZ3 4.4Å; I30-V78 HydrophobicContact CD1-CG1 4.02Å; I30-L79 PolarHBondContact N-O 3.34Å; I30-V80 CarbonylContact O-C 3.57Å; I30-V80 WeakPolarHBondContact O-CA 3.3Å; I30-V81 PolarHBondContact O-N 3.17Å; I30-V113 WeakPolarHBondContact CA-O 3.48Å; I30-V113 HydrophobicContact CG1-CB 4.35Å; I30-V113 HydrophobicContact CG2-CB 4.46Å; I30-L115 HydrophobicContact CG2-CB 3.86Å; I30-L115 HydrophobicContact CG2-CD2 4.23Å; I30-I207 HydrophobicContact CD1-CD1 3.87Å
31	I	98.4	Very high	83.9	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	129.2	169	-59.2	170.9	0	0	0	108	V33 V81 T83 S107 P111 V113 L114 L115 F138	I31-V33 HydrophobicContact CG2-CG1 3.8Å; I31-V81 HydrophobicContact CG1-CB 4.13Å; I31-V81 HydrophobicContact CG1-CG2 4.34Å; I31-T83 HydrophobicContact CG2-CG2 3.74Å; I31-S107 VanDerWaalsContact CD1-OG 3.29Å; I31-S107 WeakPolarHBondContact CD1-OG 3.31Å; I31-P111 HydrophobicContact CD1-CB 3.68Å; I31-P111 HydrophobicContact CD1-CG 3.67Å; I31-P111 HydrophobicContact CG1-CB 3.9Å; I31-P111 HydrophobicContact CG1-CG 4.42Å; I31-V113 PolarHBondContact N-O 3.47Å; I31-L114 HydrophobicContact CB-CD2 4.02Å; I31-L114 HydrophobicContact CD1-CD2 4.28Å; I31-L114 HydrophobicContact CG2-CD2 4.3Å; I31-L115 PolarHBondContact O-N 3.47Å; I31-F138 HydrophobicContact CD1-CE1 4.14Å; I31-F138 HydrophobicContact CD1-CZ 3.93Å
32	L	98.6	Very high	86.5	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	122.6	175.4	-52.3	-178.9	0	0	0	108.9	I30 K40 I47 V80 V81 D82 T83 L115	I30-L32 HydrophobicContact CG2-CD2 4.16Å; L32-K40 HydrophobicContact CB-CB 4.2Å; L32-K40 HydrophobicContact CB-CD 4.41Å; L32-K40 HydrophobicContact CB-CG 4.44Å; L32-K40 VanDerWaalsContact CD1-O 3.22Å; L32-K40 WeakPolarHBondContact CD1-O 3.37Å; L32-I47 HydrophobicContact CD2-CD1 3.99Å; L32-V80 HydrophobicContact CD1-CG1 3.75Å; L32-V80 HydrophobicContact CD2-CG1 4.1Å; L32-V80 HydrophobicContact CG-CG1 3.82Å; L32-V81 PolarHBondContact N-O 3.1Å; L32-D82 HydrophobicContact CD1-CB 4.46Å; L32-T83 WeakPolarHBondContact O-CB 3.34Å; L32-T83 VanDerWaalsContact O-CG2 3.24Å; L32-T83 WeakPolarHBondContact O-CG2 3.5Å; L32-T83 PolarHBondContact O-OG1 3.4Å; L32-L115 HydrophobicContact CD2-CB 4Å; L32-L115 HydrophobicContact CD2-CD2 3.76Å; L32-L115 HydrophobicContact CD2-CG 4.43Å
33	V	98	Very high	89	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	154.9	-178.2	-54	0	0	0	0	110.7	I31 F87 L114 L115 L116 V117 V134 F138	I31-V33 HydrophobicContact CG2-CG1 3.8Å; V33-F87 HydrophobicContact CB-CD2 3.97Å; V33-F87 HydrophobicContact CB-CE1 4.23Å; V33-F87 HydrophobicContact CB-CE2 3.52Å; V33-F87 HydrophobicContact CB-CG 4.49Å; V33-F87 HydrophobicContact CB-CZ 3.68Å; V33-F87 HydrophobicContact CG1-CD2 4.42Å; V33-F87 HydrophobicContact CG1-CE1 4.07Å; V33-F87 HydrophobicContact CG1-CE2 3.49Å; V33-F87 VanDerWaalsContact CG1-CE2 3.49Å; V33-F87 HydrophobicContact CG1-CZ 3.29Å; V33-L114 HydrophobicContact CG1-CD2 3.78Å; V33-L115 PolarHBondContact N-O 3.46Å; V33-L116 HydrophobicContact CG2-CB 4.07Å; V33-L116 HydrophobicContact CG2-CD1 3.98Å; V33-L116 WeakPolarHBondContact O-CA 3.41Å; V33-V117 PolarHBondContact O-N 2.99Å; V33-V134 HydrophobicContact CB-CG2 3.86Å; V33-V134 HydrophobicContact CG1-CG2 4.37Å; V33-V134 HydrophobicContact CG2-CG2 3.68Å; V33-F138 HydrophobicContact CG1-CE2 4.41Å
34	G	96.4	Very high	91.3	Very high	2 Å²	2	24.3 Å²	24.3	2%	0.021	17%	0.168	C	C	.	.	S	Bend	trans	138.5	171.5	-176.5	0	0	0	0	0	112.9	K40	G34-K40 PolarHBondContact O-NZ 3.05Å
35	K	94.4	Very high	93.6	Very high	24 Å²	24	20.3 Å²	20.3	10%	0.104	14%	0.143	C	C	.	.	S	Bend	trans	-62	164.4	-178.4	68	179.6	-179.8	78	0	113.2	C38 K40 Q126 D127	K35-C38 HydrophobicContact CG-CB 3.95Å; K35-C38 PolarHBondContact O-SG 3.24Å; K35-K40 PolarHBondContact O-NZ 3.36Å; K35-Q126 HydrophobicContact CB-CB 4.45Å; K35-Q126 HydrophobicContact CD-CB 3.8Å; K35-D127 WeakPolarHBondContact CD-OD1 3.34Å; K35-D127 WeakPolarHBondContact CE-OD1 3.35Å
36	T	91.9	Very high	95.3	Very high	39 Å²	39	17.4 Å²	17.4	24%	0.239	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	144.9	172.8	-56.1	0	0	0	0	110.2	C38 S85 E88	T36-C38 PolarHBondContact O-N 3.35Å; T36-S85 WeakPolarHBondContact OG1-CB 3.4Å; T36-S85 PolarHBondContact OG1-OG 3.03Å; T36-E88 WeakPolarHBondContact CA-OE1 3.37Å; T36-E88 WeakPolarHBondContact CB-OE1 3.48Å; T36-E88 PolarHBondContact N-OE1 2.85Å; T36-E88 PolarHBondContact OG1-OE1 3.17Å
37	G	91.2	Very high	96.1	Very high	65 Å²	65	13 Å²	13	67%	0.67	10%	0.096	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.7	2.6	177.1	0	0	0	0	0	115.5	G39	G37-G39 PolarHBondContact O-N 3Å
38	C	93.2	Very high	96.3	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	-74.5	-5.2	175.3	68.1	0	0	0	0	114.4	K35 T36 V117 T151	K35-C38 HydrophobicContact CG-CB 3.95Å; K35-C38 PolarHBondContact O-SG 3.24Å; T36-C38 PolarHBondContact O-N 3.35Å; C38-V117 HydrophobicContact CB-CG1 4.39Å; C38-V117 WeakPolarHBondContact O-CG1 3.43Å; C38-V117 PolarHBondContact SG-O 2.89Å; C38-T151 WeakPolarHBondContact O-CG2 3.34Å; C38-T151 PolarHBondContact O-OG1 3.3Å; C38-T151 VanDerWaalsContact O-OG1 3.08Å
39	G	94.7	Very high	96.2	Very high	20 Å²	20	14.8 Å²	14.8	21%	0.206	11%	0.113	C	C	.	.	S	Bend	trans	100.2	17.5	176.9	0	0	0	0	0	115.9	G37 S41 A42 T43	G37-G39 PolarHBondContact O-N 3Å; G39-S41 PolarHBondContact O-N 3.41Å; G39-A42 WeakPolarHBondContact O-CB 3.39Å; G39-A42 PolarHBondContact O-N 3.33Å; G39-T43 WeakPolarHBondContact O-CB 3.44Å; G39-T43 PolarHBondContact O-N 3.02Å; G39-T43 PolarHBondContact O-OG1 3.24Å
40	K	96.9	Very high	96	Very high	14 Å²	14	18 Å²	18	6%	0.061	13%	0.128	C	C	.	.	H	α-helix	trans	-46.9	-59	179.2	-62.7	-170.4	-67.1	-78.4	0	113.5	L32 G34 K35 A42 T43 G44 D82 T83 V117	L32-K40 HydrophobicContact CB-CB 4.2Å; L32-K40 HydrophobicContact CB-CD 4.41Å; L32-K40 HydrophobicContact CB-CG 4.44Å; L32-K40 VanDerWaalsContact CD1-O 3.22Å; L32-K40 WeakPolarHBondContact CD1-O 3.37Å; G34-K40 PolarHBondContact O-NZ 3.05Å; K35-K40 PolarHBondContact O-NZ 3.36Å; K40-A42 VanDerWaalsContact C-N 3.33Å; K40-A42 PolarHBondContact O-N 3.29Å; K40-T43 CarbonylContact O-C 3.47Å; K40-T43 WeakPolarHBondContact O-CB 3.45Å; K40-T43 PolarHBondContact O-N 3.44Å; K40-T43 VanDerWaalsContact O-N 3.11Å; K40-G44 PolarHBondContact O-N 2.95Å; K40-D82 WeakPolarHBondContact CB-OD1 3.33Å; K40-T83 WeakPolarHBondContact CE-O 3.49Å; K40-V117 HydrophobicContact CG-CB 4.1Å; K40-V117 HydrophobicContact CG-CG2 4.14Å
41	S	97.7	Very high	95.9	Very high	16 Å²	16	23.7 Å²	23.7	11%	0.112	17%	0.166	C	C	.	.	H	α-helix	trans	-61.3	-39.5	-177.9	-43	0	0	0	0	112.7	G39 G44 N45 T63 D82	G39-S41 PolarHBondContact O-N 3.41Å; S41-G44 PolarHBondContact O-N 3.39Å; S41-N45 PolarHBondContact O-N 2.98Å; S41-N45 PolarHBondContact O-ND2 3.23Å; S41-T63 PolarHBondContact OG-OG1 2.98Å; S41-D82 WeakPolarHBondContact CB-OD2 3.36Å; S41-D82 PolarHBondContact OG-OD2 3.46Å
42	A	97	Very high	95.8	Very high	19 Å²	19	25.5 Å²	25.5	16%	0.157	18%	0.177	C	C	.	.	H	α-helix	trans	-61.6	-47.1	173.7	0	0	0	0	0	111.4	G39 K40 G44 N45 S46 S55 N189	G39-A42 WeakPolarHBondContact O-CB 3.39Å; G39-A42 PolarHBondContact O-N 3.33Å; K40-A42 VanDerWaalsContact C-N 3.33Å; K40-A42 PolarHBondContact O-N 3.29Å; A42-G44 VanDerWaalsContact C-N 3.32Å; A42-G44 PolarHBondContact O-N 2.94Å; A42-N45 WeakPolarHBondContact O-CB 3.38Å; A42-N45 PolarHBondContact O-N 3Å; A42-N45 VanDerWaalsContact O-N 3.14Å; A42-S46 PolarHBondContact O-N 3.24Å; A42-S46 PolarHBondContact O-OG 2.98Å; A42-S55 WeakPolarHBondContact CB-OG 3.46Å; A42-N189 HydrophobicContact CB-CB 4.11Å
43	T	97.7	Very high	95.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-61.1	-39.3	175.3	-67.2	0	0	0	0	111.9	G39 K40 N45 S46 I47 L115 V117 L149 T151 F187 N189	G39-T43 WeakPolarHBondContact O-CB 3.44Å; G39-T43 PolarHBondContact O-N 3.02Å; G39-T43 PolarHBondContact O-OG1 3.24Å; K40-T43 CarbonylContact O-C 3.47Å; K40-T43 WeakPolarHBondContact O-CB 3.45Å; K40-T43 PolarHBondContact O-N 3.44Å; K40-T43 VanDerWaalsContact O-N 3.11Å; T43-N45 VanDerWaalsContact C-N 3.32Å; T43-N45 PolarHBondContact O-N 3.33Å; T43-S46 WeakPolarHBondContact O-CB 3.38Å; T43-S46 PolarHBondContact O-N 3.4Å; T43-S46 VanDerWaalsContact O-N 3.16Å; T43-I47 HydrophobicContact CG2-CD1 3.86Å; T43-I47 HydrophobicContact CG2-CG1 4.35Å; T43-I47 WeakPolarHBondContact O-CB 3.45Å; T43-I47 VanDerWaalsContact O-CG1 3.23Å; T43-I47 WeakPolarHBondContact O-CG1 3.35Å; T43-I47 PolarHBondContact O-N 2.98Å; T43-L115 HydrophobicContact CG2-CD2 4.31Å; T43-V117 HydrophobicContact CG2-CG2 4.4Å; T43-L149 HydrophobicContact CG2-CD1 3.57Å; T43-L149 HydrophobicContact CG2-CD2 3.71Å; T43-L149 HydrophobicContact CG2-CG 4.29Å; T43-T151 WeakPolarHBondContact OG1-CG2 3.37Å; T43-F187 HydrophobicContact CG2-CD2 4.36Å; T43-N189 PolarHBondContact OG1-ND2 2.98Å; T43-N189 PolarHBondContact OG1-OD1 3.42Å
44	G	97.7	Very high	95.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-59.5	-41.4	173.5	0	0	0	0	0	112.7	K40 S41 A42 I47 L48	K40-G44 PolarHBondContact O-N 2.95Å; S41-G44 PolarHBondContact O-N 3.39Å; A42-G44 VanDerWaalsContact C-N 3.32Å; A42-G44 PolarHBondContact O-N 2.94Å; G44-I47 PolarHBondContact O-N 2.96Å; G44-L48 WeakPolarHBondContact O-CB 3.38Å; G44-L48 WeakPolarHBondContact O-CG 3.34Å; G44-L48 PolarHBondContact O-N 3.39Å; G44-L48 VanDerWaalsContact O-N 3.08Å
45	N	97.1	Very high	95.5	Very high	21 Å²	21	33.3 Å²	33.3	11%	0.112	22%	0.22	C	C	.	.	H	α-helix	trans	-65.4	-42.1	173.1	-66	-26.6	0	0	0	111.6	S41 A42 T43 I47 L48 G49 Q50 V52 F53	S41-N45 PolarHBondContact O-N 2.98Å; S41-N45 PolarHBondContact O-ND2 3.23Å; A42-N45 WeakPolarHBondContact O-CB 3.38Å; A42-N45 PolarHBondContact O-N 3Å; A42-N45 VanDerWaalsContact O-N 3.14Å; T43-N45 VanDerWaalsContact C-N 3.32Å; T43-N45 PolarHBondContact O-N 3.33Å; N45-I47 PolarHBondContact O-N 3.5Å; N45-L48 PolarHBondContact O-N 2.97Å; N45-G49 PolarHBondContact O-N 3.45Å; N45-Q50 VanDerWaalsContact CA-O 3.29Å; N45-Q50 WeakPolarHBondContact CA-O 3.49Å; N45-Q50 WeakPolarHBondContact CB-O 3.39Å; N45-Q50 PolarHBondContact O-N 3.46Å; N45-Q50 PolarHBondContact OD1-O 3.27Å; N45-V52 PolarHBondContact OD1-N 3.03Å; N45-F53 PolarHBondContact ND2-O 3.42Å; N45-F53 WeakPolarHBondContact OD1-CB 3.44Å; N45-F53 WeakPolarHBondContact OD1-CD2 3.46Å; N45-F53 PolarHBondContact OD1-N 2.93Å
46	S	96.9	Very high	95.4	Very high	8 Å²	8	37.7 Å²	37.7	6%	0.056	24%	0.238	C	C	.	.	H	α-helix	trans	-62.3	-41.7	177.3	-62.8	0	0	0	0	112.1	A42 T43 N189 Q196 Q200	A42-S46 PolarHBondContact O-N 3.24Å; A42-S46 PolarHBondContact O-OG 2.98Å; T43-S46 WeakPolarHBondContact O-CB 3.38Å; T43-S46 PolarHBondContact O-N 3.4Å; T43-S46 VanDerWaalsContact O-N 3.16Å; S46-N189 PolarHBondContact OG-OD1 2.86Å; S46-N189 VanDerWaalsContact OG-OD1 3.13Å; S46-Q196 VanDerWaalsContact CA-NE2 3.3Å; S46-Q196 PolarHBondContact O-NE2 3.06Å; S46-Q200 PolarHBondContact O-NE2 2.96Å
47	I	97.1	Very high	95.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-61.5	-42.7	174.8	-74	168.7	0	0	0	111.4	L32 T43 G44 N45 W73 V80 L115 F187 Q200 L203	L32-I47 HydrophobicContact CD2-CD1 3.99Å; T43-I47 HydrophobicContact CG2-CD1 3.86Å; T43-I47 HydrophobicContact CG2-CG1 4.35Å; T43-I47 WeakPolarHBondContact O-CB 3.45Å; T43-I47 VanDerWaalsContact O-CG1 3.23Å; T43-I47 WeakPolarHBondContact O-CG1 3.35Å; T43-I47 PolarHBondContact O-N 2.98Å; G44-I47 PolarHBondContact O-N 2.96Å; N45-I47 PolarHBondContact O-N 3.5Å; I47-W73 HydrophobicContact CB-CZ2 4.39Å; I47-W73 HydrophobicContact CG2-CH2 4.2Å; I47-W73 HydrophobicContact CG2-CZ2 3.6Å; I47-W73 PolarHBondContact O-NE1 3.36Å; I47-V80 HydrophobicContact CG2-CG2 3.59Å; I47-L115 HydrophobicContact CD1-CD2 3.46Å; I47-L115 VanDerWaalsContact CD1-CD2 3.46Å; I47-F187 HydrophobicContact CG1-CE2 3.87Å; I47-F187 HydrophobicContact CG1-CZ 4.29Å; I47-Q200 PolarHBondContact O-NE2 2.97Å; I47-Q200 VanDerWaalsContact O-NE2 3.14Å; I47-L203 HydrophobicContact CD1-CD2 4Å; I47-L203 HydrophobicContact CG1-CD2 3.82Å
48	L	96.2	Very high	95	Very high	17 Å²	17	49.9 Å²	49.9	9%	0.089	27%	0.272	C	S	.	.	H	α-helix	trans	-87.6	-12	-174.9	-67.7	-179.2	0	0	0	114.4	G44 N45 Q50 V52 F53 K69 V80	G44-L48 WeakPolarHBondContact O-CB 3.38Å; G44-L48 WeakPolarHBondContact O-CG 3.34Å; G44-L48 PolarHBondContact O-N 3.39Å; G44-L48 VanDerWaalsContact O-N 3.08Å; N45-L48 PolarHBondContact O-N 2.97Å; L48-Q50 VanDerWaalsContact C-N 3.29Å; L48-Q50 HydrophobicContact CB-CG 4.1Å; L48-Q50 PolarHBondContact O-N 3.35Å; L48-V52 HydrophobicContact CB-CG2 4.42Å; L48-V52 HydrophobicContact CD1-CG2 3.55Å; L48-F53 HydrophobicContact CD1-CE2 3.88Å; L48-F53 HydrophobicContact CD1-CZ 4.43Å; L48-K69 HydrophobicContact CD1-CB 3.56Å; L48-V80 HydrophobicContact CD1-CB 4.22Å; L48-V80 HydrophobicContact CD1-CG2 4.18Å; L48-V80 HydrophobicContact CD2-CG2 3.72Å; L48-V80 HydrophobicContact CG-CB 4.44Å; L48-V80 HydrophobicContact CG-CG2 3.88Å
49	G	93.8	Very high	94.6	Very high	44 Å²	44	55.5 Å²	55.5	45%	0.454	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	10.4	-178.5	0	0	0	0	0	114.4	N45 Q196	N45-G49 PolarHBondContact O-N 3.45Å; G49-Q196 VanDerWaalsContact CA-NE2 3.35Å
50	Q	93.9	Very high	94.3	Very high	87 Å²	87	61.3 Å²	61.3	41%	0.407	34%	0.341	S	S	.	.	S	Bend	trans	-156	149.3	-171.8	48.6	175.1	-21.6	0	0	112.1	N45 L48 V52	N45-Q50 VanDerWaalsContact CA-O 3.29Å; N45-Q50 WeakPolarHBondContact CA-O 3.49Å; N45-Q50 WeakPolarHBondContact CB-O 3.39Å; N45-Q50 PolarHBondContact O-N 3.46Å; N45-Q50 PolarHBondContact OD1-O 3.27Å; L48-Q50 VanDerWaalsContact C-N 3.29Å; L48-Q50 HydrophobicContact CB-CG 4.1Å; L48-Q50 PolarHBondContact O-N 3.35Å; Q50-V52 VanDerWaalsContact C-N 3.28Å; Q50-V52 HydrophobicContact CB-CG1 4.22Å; Q50-V52 HydrophobicContact CG-CG1 3.58Å; Q50-V52 HydrophobicContact CG-CG2 4.35Å; Q50-V52 PolarHBondContact O-N 3.48Å
51	P	94.9	Very high	93.8	Very high	122 Å²	122	62.1 Å²	62.1	79%	0.792	35%	0.348	S	S	*	.			trans	-81.1	66.7	-177.3	34.7	-36.9	0	0	0	112.2
52	V	96.9	Very high	93.3	Very high	38 Å²	38	63.3 Å²	63.3	23%	0.23	35%	0.354	C	S	.	.			trans	-92	-18.7	-175.2	-70.1	0	0	0	0	114.6	N45 L48 Q50 K69	N45-V52 PolarHBondContact OD1-N 3.03Å; L48-V52 HydrophobicContact CB-CG2 4.42Å; L48-V52 HydrophobicContact CD1-CG2 3.55Å; Q50-V52 VanDerWaalsContact C-N 3.28Å; Q50-V52 HydrophobicContact CB-CG1 4.22Å; Q50-V52 HydrophobicContact CG-CG1 3.58Å; Q50-V52 HydrophobicContact CG-CG2 4.35Å; Q50-V52 PolarHBondContact O-N 3.48Å; V52-K69 HydrophobicContact CB-CB 4.3Å; V52-K69 HydrophobicContact CB-CD 4.02Å; V52-K69 HydrophobicContact CB-CG 3.87Å; V52-K69 HydrophobicContact CG2-CB 3.76Å; V52-K69 HydrophobicContact CG2-CD 4.41Å; V52-K69 HydrophobicContact CG2-CG 3.73Å; V52-K69 WeakPolarHBondContact O-CE 3.47Å
53	F	97.1	Very high	93	Very high	5 Å²	5	62.9 Å²	62.9	2%	0.022	35%	0.35	C	S	.	.	S	Bend	trans	-104.1	137.8	171	-58.7	-71.7	0	0	0	109.8	N45 L48 S55 Q67 K69 V80 D82	N45-F53 PolarHBondContact ND2-O 3.42Å; N45-F53 WeakPolarHBondContact OD1-CB 3.44Å; N45-F53 WeakPolarHBondContact OD1-CD2 3.46Å; N45-F53 PolarHBondContact OD1-N 2.93Å; L48-F53 HydrophobicContact CD1-CE2 3.88Å; L48-F53 HydrophobicContact CD1-CZ 4.43Å; F53-S55 PolarHBondContact O-N 3.34Å; F53-S55 VanDerWaalsContact O-N 3.16Å; F53-Q67 HydrophobicContact CD1-CB 4.1Å; F53-Q67 HydrophobicContact CE1-CB 3.92Å; F53-K69 HydrophobicContact CD1-CG 4.01Å; F53-K69 HydrophobicContact CE1-CB 4.04Å; F53-K69 HydrophobicContact CE1-CG 3.45Å; F53-K69 VanDerWaalsContact CE1-CG 3.45Å; F53-K69 HydrophobicContact CE2-CB 4.08Å; F53-K69 HydrophobicContact CE2-CG 4.15Å; F53-K69 HydrophobicContact CZ-CB 3.58Å; F53-K69 HydrophobicContact CZ-CG 3.54Å; F53-V80 HydrophobicContact CE2-CB 4.27Å; F53-V80 HydrophobicContact CE2-CG1 4Å; F53-V80 HydrophobicContact CZ-CB 4.21Å; F53-V80 HydrophobicContact CZ-CG1 4.1Å; F53-D82 HydrophobicContact CD1-CB 3.57Å; F53-D82 HydrophobicContact CE1-CB 3.51Å; F53-D82 HydrophobicContact CG-CB 4.14Å; F53-D82 HydrophobicContact CZ-CB 4.02Å
54	E	95.5	Very high	92.7	Very high	98 Å²	98	69.1 Å²	69.1	46%	0.458	37%	0.374	S	S	.	.			trans	-70.4	112.2	175.7	-168.9	179.8	180	0	0	110.1	K56 V62	E54-K56 HydrophobicContact CG-CD 4.23Å; E54-K56 HydrophobicContact CG-CG 4.34Å; E54-K56 WeakPolarHBondContact OE1-CD 3.25Å; E54-K56 WeakPolarHBondContact OE1-CE 3.4Å; E54-K56 IonicContact OE1-NZ 3.74Å; E54-K56 PolarHBondContact OE1-NZ 2.92Å; E54-V62 HydrophobicContact CB-CG1 3.98Å; E54-V62 HydrophobicContact CG-CG1 3.69Å
55	S	94.2	Very high	92.5	Very high	63 Å²	63	72.4 Å²	72.4	44%	0.441	39%	0.394	S	S	.	.			trans	-122.8	107.4	177.9	-179.7	0	0	0	0	109.8	A42 F53	A42-S55 WeakPolarHBondContact CB-OG 3.46Å; F53-S55 PolarHBondContact O-N 3.34Å; F53-S55 VanDerWaalsContact O-N 3.16Å
56	K	91.4	Very high	92.4	Very high	115 Å²	115	72 Å²	72	50%	0.5	39%	0.393	S	S	.	.			trans	-134	140.5	-179.5	-65.8	177.3	-179.9	161.6	0	110	E54 R58 V62	E54-K56 HydrophobicContact CG-CD 4.23Å; E54-K56 HydrophobicContact CG-CG 4.34Å; E54-K56 WeakPolarHBondContact OE1-CD 3.25Å; E54-K56 WeakPolarHBondContact OE1-CE 3.4Å; E54-K56 IonicContact OE1-NZ 3.74Å; E54-K56 PolarHBondContact OE1-NZ 2.92Å; K56-R58 HydrophobicContact CB-CG 4.11Å; K56-R58 PolarHBondContact O-N 3.2Å; K56-R58 VanDerWaalsContact O-N 3.1Å; K56-V62 HydrophobicContact CB-CG2 4.26Å
57	L	87	Confident	92.4	Very high	180 Å²	180	74.6 Å²	74.6	94%	0.942	40%	0.404	S	S	*	.			trans	-70	105.9	170.5	-171.2	68.6	0	0	0	108.9
58	R	88.6	Confident	92.4	Very high	180 Å²	180	77 Å²	77	68%	0.679	42%	0.418	S	S	*	.			trans	-138.8	149	179.7	-67.3	-66.6	-169.2	171.8	0.8	109.2	K56 Q60 V62	K56-R58 HydrophobicContact CB-CG 4.11Å; K56-R58 PolarHBondContact O-N 3.2Å; K56-R58 VanDerWaalsContact O-N 3.1Å; R58-Q60 WeakPolarHBondContact CB-O 3.49Å; R58-Q60 PolarHBondContact O-N 3.48Å; R58-V62 HydrophobicContact CB-CG2 4.16Å; R58-V62 HydrophobicContact CG-CG2 4.02Å
59	A	85.1	Confident	92.5	Very high	118 Å²	118	80.2 Å²	80.2	98%	0.975	43%	0.432	S	S	*	.	S	Bend	trans	-67.8	-25.9	174.9	0	0	0	0	0	112.6
60	Q	86.7	Confident	92.6	Very high	143 Å²	143	81.1 Å²	81.1	67%	0.668	43%	0.428	S	S	*	.	S	Bend	trans	-104.6	154.8	174.6	-63.4	-174.4	3.6	0	0	110.9	R58 V62	R58-Q60 WeakPolarHBondContact CB-O 3.49Å; R58-Q60 PolarHBondContact O-N 3.48Å; Q60-V62 PolarHBondContact O-N 3.45Å
61	S	87	Confident	92.7	Very high	30 Å²	30	77.5 Å²	77.5	21%	0.21	41%	0.414	C	S	.	.			trans	-59	131.8	174.7	-168	0	0	0	0	111.5	T63 R64 S85	S61-T63 PolarHBondContact OG-O 2.91Å; S61-R64 PolarHBondContact O-NE 3.44Å; S61-R64 PolarHBondContact O-NH2 2.95Å; S61-R64 VanDerWaalsContact O-NH2 3.14Å; S61-S85 PolarHBondContact OG-OG 3.04Å
62	V	88.3	Confident	92.6	Very high	41 Å²	41	76.2 Å²	76.2	25%	0.248	40%	0.404	C	S	.	.	S	Bend	trans	-81.8	-47.7	176	177.9	0	0	0	0	109.7	E54 K56 R58 Q60 R64	E54-V62 HydrophobicContact CB-CG1 3.98Å; E54-V62 HydrophobicContact CG-CG1 3.69Å; K56-V62 HydrophobicContact CB-CG2 4.26Å; R58-V62 HydrophobicContact CB-CG2 4.16Å; R58-V62 HydrophobicContact CG-CG2 4.02Å; Q60-V62 PolarHBondContact O-N 3.45Å; V62-R64 PolarHBondContact O-N 2.93Å
63	T	90.2	Very high	92.3	Very high	11 Å²	11	75.3 Å²	75.3	7%	0.067	40%	0.397	C	S	.	.			trans	-78.1	112.9	179.4	-51.4	0	0	0	0	110.5	S41 S61 T65 D82 P84	S41-T63 PolarHBondContact OG-OG1 2.98Å; S61-T63 PolarHBondContact OG-O 2.91Å; T63-T65 VanDerWaalsContact CG2-O 3.26Å; T63-T65 WeakPolarHBondContact CG2-O 3.45Å; T63-D82 PolarHBondContact OG1-OD2 3.36Å; T63-P84 HydrophobicContact CG2-CB 4.34Å; T63-P84 VanDerWaalsContact O-CB 3.32Å; T63-P84 WeakPolarHBondContact O-CB 3.5Å
64	R	90.5	Very high	91.7	Very high	131 Å²	131	82.5 Å²	82.5	49%	0.494	44%	0.435	S	S	.	.			trans	-102.3	-24	-179.8	-60.6	-62.5	176.5	150	2.7	114.3	S61 V62 N99	S61-R64 PolarHBondContact O-NE 3.44Å; S61-R64 PolarHBondContact O-NH2 2.95Å; S61-R64 VanDerWaalsContact O-NH2 3.14Å; V62-R64 PolarHBondContact O-N 2.93Å; R64-N99 PolarHBondContact O-ND2 3.23Å
65	T	93.7	Very high	91.3	Very high	69 Å²	69	80.9 Å²	80.9	42%	0.423	45%	0.445	S	S	.	.	S	Bend	trans	-132.9	159.4	178	61.7	0	0	0	0	109.7	T63 Q67	T63-T65 VanDerWaalsContact CG2-O 3.26Å; T63-T65 WeakPolarHBondContact CG2-O 3.45Å; T65-Q67 PolarHBondContact O-N 3.32Å
66	C	95.6	Very high	91.2	Very high	13 Å²	13	81.3 Å²	81.3	9%	0.088	44%	0.437	C	S	.	.			trans	-62	138.6	170.9	-68.9	0	0	0	0	110.7	V81 D82 P84 N99 D102 L106	C66-V81 HydrophobicContact CB-CG1 4.4Å; C66-D82 WeakPolarHBondContact CA-O 3.08Å; C66-P84 WeakPolarHBondContact SG-CD 3.45Å; C66-N99 PolarHBondContact SG-O 3.49Å; C66-N99 VanDerWaalsContact SG-O 3.35Å; C66-D102 HydrophobicContact CB-CB 4.37Å; C66-L106 HydrophobicContact CB-CD1 3.62Å
67	Q	97	Very high	91.3	Very high	62 Å²	62	80.7 Å²	80.7	29%	0.29	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	135.6	177.5	-64.5	-175.4	1.7	0	0	109.4	F53 T65 V81 D82	F53-Q67 HydrophobicContact CD1-CB 4.1Å; F53-Q67 HydrophobicContact CE1-CB 3.92Å; T65-Q67 PolarHBondContact O-N 3.32Å; Q67-V81 CarbonylContact O-C 3.58Å; Q67-V81 WeakPolarHBondContact O-CA 3.29Å; Q67-D82 PolarHBondContact N-O 2.9Å; Q67-D82 PolarHBondContact O-N 3.42Å
68	V	97.5	Very high	91.8	Very high	51 Å²	51	72.2 Å²	72.2	31%	0.309	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	133.7	174.7	68.2	0	0	0	0	110.3	L79 V80 V81 L106	V68-L79 HydrophobicContact CG2-CD1 3.71Å; V68-L79 HydrophobicContact CG2-CD2 3.49Å; V68-L79 VanDerWaalsContact CG2-CD2 3.49Å; V68-L79 HydrophobicContact CG2-CG 3.38Å; V68-V80 WeakPolarHBondContact CA-O 3.5Å; V68-V81 HydrophobicContact CG2-CG2 4.22Å; V68-L106 HydrophobicContact CB-CB 4.4Å; V68-L106 HydrophobicContact CB-CD1 4.36Å; V68-L106 HydrophobicContact CB-CD2 4.16Å; V68-L106 HydrophobicContact CG1-CD2 3.73Å
69	K	97.8	Very high	92.2	Very high	84 Å²	84	65 Å²	65	37%	0.365	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	153.9	171.1	-60.7	-68	177.4	-177.9	0	109.5	L48 V52 F53 V80	L48-K69 HydrophobicContact CD1-CB 3.56Å; V52-K69 HydrophobicContact CB-CB 4.3Å; V52-K69 HydrophobicContact CB-CD 4.02Å; V52-K69 HydrophobicContact CB-CG 3.87Å; V52-K69 HydrophobicContact CG2-CB 3.76Å; V52-K69 HydrophobicContact CG2-CD 4.41Å; V52-K69 HydrophobicContact CG2-CG 3.73Å; V52-K69 WeakPolarHBondContact O-CE 3.47Å; F53-K69 HydrophobicContact CD1-CG 4.01Å; F53-K69 HydrophobicContact CE1-CB 4.04Å; F53-K69 HydrophobicContact CE1-CG 3.45Å; F53-K69 VanDerWaalsContact CE1-CG 3.45Å; F53-K69 HydrophobicContact CE2-CB 4.08Å; F53-K69 HydrophobicContact CE2-CG 4.15Å; F53-K69 HydrophobicContact CZ-CB 3.58Å; F53-K69 HydrophobicContact CZ-CG 3.54Å; K69-V80 PolarHBondContact N-O 3.24Å; K69-V80 PolarHBondContact O-N 3.39Å
70	T	96.7	Very high	92.8	Very high	63 Å²	63	59.4 Å²	59.4	39%	0.387	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	142.5	-176.9	-63.6	0	0	0	0	109.7	K77 V78	T70-K77 HydrophobicContact CG2-CD 4.11Å; T70-K77 HydrophobicContact CG2-CG 3.61Å; T70-V78 CarbonylContact C-O 3.58Å; T70-V78 VanDerWaalsContact CA-O 3.23Å; T70-V78 WeakPolarHBondContact CA-O 3.4Å
71	G	95.2	Very high	93.4	Very high	10 Å²	10	52.6 Å²	52.6	10%	0.103	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	-165.7	166	0	0	0	0	0	110.7	V78	G71-V78 PolarHBondContact N-O 2.92Å; G71-V78 PolarHBondContact O-N 3.4Å
72	T	93.4	Very high	93.9	Very high	96 Å²	96	51.1 Å²	51.1	59%	0.589	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.6	130	-176.7	-56	0	0	0	0	110	G75 R76	T72-G75 VanDerWaalsContact CG2-C 3.49Å; T72-G75 VanDerWaalsContact CG2-CA 3.47Å; T72-R76 CarbonylContact C-O 3.5Å; T72-R76 WeakPolarHBondContact CA-O 3.33Å
73	W	89.7	Confident	94.2	Very high	18 Å²	18	49.2 Å²	49.2	7%	0.068	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	118.3	170.2	-72.4	-12.4	0	0	0	109.1	L28 I30 I47 G75 R76 V78 Q200 L203 L204 I207	L28-W73 HydrophobicContact CD2-CE3 4.02Å; L28-W73 HydrophobicContact CD2-CZ3 3.76Å; I30-W73 HydrophobicContact CD1-CH2 4.19Å; I30-W73 HydrophobicContact CD1-CZ3 4.4Å; I47-W73 HydrophobicContact CB-CZ2 4.39Å; I47-W73 HydrophobicContact CG2-CH2 4.2Å; I47-W73 HydrophobicContact CG2-CZ2 3.6Å; I47-W73 PolarHBondContact O-NE1 3.36Å; W73-G75 PolarHBondContact O-N 3.33Å; W73-G75 VanDerWaalsContact O-N 3.09Å; W73-R76 PolarHBondContact N-O 3.12Å; W73-R76 WeakPolarHBondContact O-CA 3.37Å; W73-R76 WeakPolarHBondContact O-CB 3.48Å; W73-R76 PolarHBondContact O-N 3.48Å; W73-V78 HydrophobicContact CB-CG2 3.93Å; W73-V78 HydrophobicContact CD2-CG2 3.66Å; W73-V78 HydrophobicContact CE3-CG2 3.73Å; W73-V78 HydrophobicContact CG-CG2 3.71Å; W73-Q200 HydrophobicContact CZ2-CG 4.46Å; W73-L203 HydrophobicContact CH2-CD2 3.83Å; W73-L203 HydrophobicContact CH2-CG 4.06Å; W73-L203 HydrophobicContact CZ2-CD2 4.38Å; W73-L204 HydrophobicContact CE3-CB 4.21Å; W73-L204 HydrophobicContact CE3-CD1 3.84Å; W73-L204 HydrophobicContact CE3-CG 4.41Å; W73-L204 HydrophobicContact CZ3-CB 4.15Å; W73-L204 HydrophobicContact CZ3-CD1 4.11Å; W73-I207 HydrophobicContact CH2-CD1 4.29Å; W73-I207 HydrophobicContact CZ3-CD1 4.07Å
74	N	85.4	Confident	94.4	Very high	157 Å²	157	48.9 Å²	48.9	84%	0.84	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.4	42.2	178.8	-60.7	-17.8	0	0	0	113.3	R76	N74-R76 VanDerWaalsContact C-N 3.26Å; N74-R76 PolarHBondContact O-N 3.42Å
75	G	87.4	Confident	94.3	Very high	63 Å²	63	44.2 Å²	44.2	65%	0.649	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.8	-13.8	-176.6	0	0	0	0	0	115.7	T72 W73	T72-G75 VanDerWaalsContact CG2-C 3.49Å; T72-G75 VanDerWaalsContact CG2-CA 3.47Å; W73-G75 PolarHBondContact O-N 3.33Å; W73-G75 VanDerWaalsContact O-N 3.09Å
76	R	90.5	Very high	94	Very high	72 Å²	72	41.1 Å²	41.1	27%	0.272	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	127.4	175	-172.8	177.8	-176.1	-175.2	0.4	110.8	T72 W73 N74 V78	T72-R76 CarbonylContact C-O 3.5Å; T72-R76 WeakPolarHBondContact CA-O 3.33Å; W73-R76 PolarHBondContact N-O 3.12Å; W73-R76 WeakPolarHBondContact O-CA 3.37Å; W73-R76 WeakPolarHBondContact O-CB 3.48Å; W73-R76 PolarHBondContact O-N 3.48Å; N74-R76 VanDerWaalsContact C-N 3.26Å; N74-R76 PolarHBondContact O-N 3.42Å; R76-V78 PolarHBondContact O-N 2.95Å
77	K	94.8	Very high	93.7	Very high	103 Å²	103	40.5 Å²	40.5	45%	0.448	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	130.8	173.2	-170.9	175.4	-176.9	-174.9	0	110.3	A27 L28 T70	A27-K77 CarbonylContact C-O 3.52Å; A27-K77 VanDerWaalsContact CA-O 3.27Å; A27-K77 WeakPolarHBondContact CA-O 3.42Å; A27-K77 HydrophobicContact CB-CB 3.96Å; A27-K77 HydrophobicContact CB-CD 3.97Å; A27-K77 HydrophobicContact CB-CG 3.87Å; L28-K77 PolarHBondContact N-O 2.95Å; T70-K77 HydrophobicContact CG2-CD 4.11Å; T70-K77 HydrophobicContact CG2-CG 3.61Å
78	V	96.2	Very high	93.3	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	127.2	176.8	-176.2	0	0	0	0	108.8	L28 I30 T70 G71 W73 R76 V80	L28-V78 HydrophobicContact CB-CG2 4.34Å; L28-V78 HydrophobicContact CD2-CG1 4.32Å; L28-V78 HydrophobicContact CD2-CG2 4.31Å; L28-V78 CarbonylContact O-C 3.48Å; L28-V78 WeakPolarHBondContact O-CA 3.49Å; I30-V78 HydrophobicContact CD1-CG1 4.02Å; T70-V78 CarbonylContact C-O 3.58Å; T70-V78 VanDerWaalsContact CA-O 3.23Å; T70-V78 WeakPolarHBondContact CA-O 3.4Å; G71-V78 PolarHBondContact N-O 2.92Å; G71-V78 PolarHBondContact O-N 3.4Å; W73-V78 HydrophobicContact CB-CG2 3.93Å; W73-V78 HydrophobicContact CD2-CG2 3.66Å; W73-V78 HydrophobicContact CE3-CG2 3.73Å; W73-V78 HydrophobicContact CG-CG2 3.71Å; R76-V78 PolarHBondContact O-N 2.95Å; V78-V80 HydrophobicContact CG1-CG2 4.17Å
79	L	97.4	Very high	92.4	Very high	29 Å²	29	41.9 Å²	41.9	15%	0.152	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	125	177.1	-178.5	153.2	0	0	0	108.1	L28 R29 I30 V68 V81	L28-L79 PolarHBondContact O-N 3.21Å; R29-L79 HydrophobicContact CB-CD2 4.48Å; R29-L79 HydrophobicContact CG-CB 4.31Å; R29-L79 HydrophobicContact CG-CD2 4.28Å; I30-L79 PolarHBondContact N-O 3.34Å; V68-L79 HydrophobicContact CG2-CD1 3.71Å; V68-L79 HydrophobicContact CG2-CD2 3.49Å; V68-L79 VanDerWaalsContact CG2-CD2 3.49Å; V68-L79 HydrophobicContact CG2-CG 3.38Å; L79-V81 HydrophobicContact CD2-CG2 3.58Å
80	V	98.4	Very high	91.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	125.6	179.1	-176.2	0	0	0	0	108.4	I30 L32 I47 L48 F53 V68 K69 V78	I30-V80 CarbonylContact O-C 3.57Å; I30-V80 WeakPolarHBondContact O-CA 3.3Å; L32-V80 HydrophobicContact CD1-CG1 3.75Å; L32-V80 HydrophobicContact CD2-CG1 4.1Å; L32-V80 HydrophobicContact CG-CG1 3.82Å; I47-V80 HydrophobicContact CG2-CG2 3.59Å; L48-V80 HydrophobicContact CD1-CB 4.22Å; L48-V80 HydrophobicContact CD1-CG2 4.18Å; L48-V80 HydrophobicContact CD2-CG2 3.72Å; L48-V80 HydrophobicContact CG-CB 4.44Å; L48-V80 HydrophobicContact CG-CG2 3.88Å; F53-V80 HydrophobicContact CE2-CB 4.27Å; F53-V80 HydrophobicContact CE2-CG1 4Å; F53-V80 HydrophobicContact CZ-CB 4.21Å; F53-V80 HydrophobicContact CZ-CG1 4.1Å; V68-V80 WeakPolarHBondContact CA-O 3.5Å; K69-V80 PolarHBondContact N-O 3.24Å; K69-V80 PolarHBondContact O-N 3.39Å; V78-V80 HydrophobicContact CG1-CG2 4.17Å
81	V	98.3	Very high	90.5	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	110.6	173	-175.8	0	0	0	0	108.4	I30 I31 L32 C66 Q67 V68 L79 T83 L106	I30-V81 PolarHBondContact O-N 3.17Å; I31-V81 HydrophobicContact CG1-CB 4.13Å; I31-V81 HydrophobicContact CG1-CG2 4.34Å; L32-V81 PolarHBondContact N-O 3.1Å; C66-V81 HydrophobicContact CB-CG1 4.4Å; Q67-V81 CarbonylContact O-C 3.58Å; Q67-V81 WeakPolarHBondContact O-CA 3.29Å; V68-V81 HydrophobicContact CG2-CG2 4.22Å; L79-V81 HydrophobicContact CD2-CG2 3.58Å; V81-T83 HydrophobicContact CG1-CG2 4.44Å; V81-L106 HydrophobicContact CG1-CB 4.35Å; V81-L106 HydrophobicContact CG1-CD1 4.45Å; V81-L106 HydrophobicContact CG2-CB 4.15Å
82	D	97.8	Very high	89.9	Confident	0 Å²	0	47 Å²	47	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	140.4	166.8	-170.4	32.8	0	0	0	109.6	L32 K40 S41 F53 T63 C66 Q67	L32-D82 HydrophobicContact CD1-CB 4.46Å; K40-D82 WeakPolarHBondContact CB-OD1 3.33Å; S41-D82 WeakPolarHBondContact CB-OD2 3.36Å; S41-D82 PolarHBondContact OG-OD2 3.46Å; F53-D82 HydrophobicContact CD1-CB 3.57Å; F53-D82 HydrophobicContact CE1-CB 3.51Å; F53-D82 HydrophobicContact CG-CB 4.14Å; F53-D82 HydrophobicContact CZ-CB 4.02Å; T63-D82 PolarHBondContact OG1-OD2 3.36Å; C66-D82 WeakPolarHBondContact CA-O 3.08Å; Q67-D82 PolarHBondContact N-O 2.9Å; Q67-D82 PolarHBondContact O-N 3.42Å
83	T	95.7	Very high	89.7	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.006	27%	0.265	C	S	.	.			trans	-118.4	143.9	-172	60.1	0	0	0	0	111.5	I31 L32 K40 V81 I86 F87	I31-T83 HydrophobicContact CG2-CG2 3.74Å; L32-T83 WeakPolarHBondContact O-CB 3.34Å; L32-T83 VanDerWaalsContact O-CG2 3.24Å; L32-T83 WeakPolarHBondContact O-CG2 3.5Å; L32-T83 PolarHBondContact O-OG1 3.4Å; K40-T83 WeakPolarHBondContact CE-O 3.49Å; V81-T83 HydrophobicContact CG1-CG2 4.44Å; T83-I86 HydrophobicContact CG2-CD1 4.29Å; T83-F87 HydrophobicContact CG2-CE2 4.2Å; T83-F87 WeakPolarHBondContact OG1-CE2 3.4Å
84	P	93.2	Very high	89.8	Confident	4 Å²	4	50.3 Å²	50.3	3%	0.026	29%	0.288	C	S	.	.			trans	-73.8	-168.5	171.9	33.7	-33.9	0	0	0	110.3	T63 C66 I86 N99	T63-P84 HydrophobicContact CG2-CB 4.34Å; T63-P84 VanDerWaalsContact O-CB 3.32Å; T63-P84 WeakPolarHBondContact O-CB 3.5Å; C66-P84 WeakPolarHBondContact SG-CD 3.45Å; P84-I86 HydrophobicContact CG-CG2 3.85Å; P84-I86 PolarHBondContact O-N 3.37Å; P84-N99 HydrophobicContact CG-CB 3.91Å
85	S	87.9	Confident	90.1	Very high	33 Å²	33	48.7 Å²	48.7	23%	0.231	28%	0.275	C	S	.	.	S	Bend	trans	-72.4	54.2	-178.9	-51.5	0	0	0	0	113.5	T36 S61	T36-S85 WeakPolarHBondContact OG1-CB 3.4Å; T36-S85 PolarHBondContact OG1-OG 3.03Å; S61-S85 PolarHBondContact OG-OG 3.04Å
86	I	87.8	Confident	90.4	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.015	25%	0.248	C	C	.	.			trans	-86	-17.9	179.5	59.1	167.8	0	0	0	113.3	T83 P84 L96 N99	T83-I86 HydrophobicContact CG2-CD1 4.29Å; P84-I86 HydrophobicContact CG-CG2 3.85Å; P84-I86 PolarHBondContact O-N 3.37Å; I86-L96 HydrophobicContact CB-CD1 3.88Å; I86-L96 HydrophobicContact CG2-CD1 3.84Å; I86-N99 HydrophobicContact CG2-CB 3.62Å
87	F	89.2	Confident	90.6	Very high	1 Å²	1	44.3 Å²	44.3	0%	0.004	24%	0.24	C	C	.	.	S	Bend	trans	-101.6	33.3	-176	-53.9	-70.8	0	0	0	112.7	V33 T83 A130 K133 V134 V137 F138	V33-F87 HydrophobicContact CB-CD2 3.97Å; V33-F87 HydrophobicContact CB-CE1 4.23Å; V33-F87 HydrophobicContact CB-CE2 3.52Å; V33-F87 HydrophobicContact CB-CG 4.49Å; V33-F87 HydrophobicContact CB-CZ 3.68Å; V33-F87 HydrophobicContact CG1-CD2 4.42Å; V33-F87 HydrophobicContact CG1-CE1 4.07Å; V33-F87 HydrophobicContact CG1-CE2 3.49Å; V33-F87 VanDerWaalsContact CG1-CE2 3.49Å; V33-F87 HydrophobicContact CG1-CZ 3.29Å; T83-F87 HydrophobicContact CG2-CE2 4.2Å; T83-F87 WeakPolarHBondContact OG1-CE2 3.4Å; F87-A130 HydrophobicContact CB-CB 3.99Å; F87-A130 WeakPolarHBondContact O-CA 3.36Å; F87-A130 WeakPolarHBondContact O-CB 3.37Å; F87-K133 HydrophobicContact CB-CB 4.17Å; F87-K133 HydrophobicContact CD1-CB 4.03Å; F87-V134 HydrophobicContact CD1-CG2 3.79Å; F87-V134 HydrophobicContact CE1-CG2 3.83Å; F87-V137 HydrophobicContact CE1-CG2 4.43Å; F87-F138 HydrophobicContact CE1-CE2 4.11Å; F87-F138 HydrophobicContact CZ-CE2 4.02Å
88	E	88.4	Confident	90.6	Very high	43 Å²	43	44 Å²	44	20%	0.201	24%	0.239	C	C	.	.	S	Bend	trans	-118.1	166.8	-180	-65.2	-169.3	162.5	0	0	111.8	T36 Q90 K133	T36-E88 WeakPolarHBondContact CA-OE1 3.37Å; T36-E88 WeakPolarHBondContact CB-OE1 3.48Å; T36-E88 PolarHBondContact N-OE1 2.85Å; T36-E88 PolarHBondContact OG1-OE1 3.17Å; E88-Q90 VanDerWaalsContact C-N 3.28Å; E88-Q90 HydrophobicContact CB-CG 4.04Å; E88-Q90 PolarHBondContact O-N 3.15Å; E88-K133 WeakPolarHBondContact O-CE 3.38Å
89	S	78.8	Confident	90.6	Very high	99 Å²	99	44.5 Å²	44.5	69%	0.692	24%	0.242	S	C	*	.	S	Bend	trans	-74.8	85	170.9	-174.6	0	0	0	0	109.1
90	Q	74.3	Confident	90.6	Very high	112 Å²	112	43.3 Å²	43.3	52%	0.523	24%	0.235	S	C	.	.			trans	-123	158.6	176.3	-61.6	-67.4	-9.5	0	0	109.7	E88	E88-Q90 VanDerWaalsContact C-N 3.28Å; E88-Q90 HydrophobicContact CB-CG 4.04Å; E88-Q90 PolarHBondContact O-N 3.15Å
91	A	80	Confident	90.5	Very high	71 Å²	71	43.4 Å²	43.4	59%	0.587	24%	0.236	S	C	*	.			trans	-60.2	144.8	169.1	0	0	0	0	0	110	T93	A91-T93 HydrophobicContact CB-CG2 4.35Å; A91-T93 PolarHBondContact O-N 3.4Å
92	D	82.6	Confident	90.4	Very high	82 Å²	82	45 Å²	45	44%	0.439	25%	0.245	S	C	.	.			trans	-71.8	91.4	174.9	-66.8	-46.5	0	0	0	109.2	Y97 K257	D92-Y97 HydrophobicContact CB-CE2 3.84Å; D92-K257 IonicContact OD1-NZ 3.84Å; D92-K257 PolarHBondContact OD1-NZ 2.79Å; D92-K257 IonicContact OD2-NZ 3.98Å; D92-K257 PolarHBondContact OD2-NZ 2.97Å
93	T	90.5	Very high	90.4	Very high	66 Å²	66	45 Å²	45	41%	0.405	25%	0.245	S	C	.	.			trans	-98.2	158.7	179.6	65.8	0	0	0	0	111.6	A91 E95 L96 Y97	A91-T93 HydrophobicContact CB-CG2 4.35Å; A91-T93 PolarHBondContact O-N 3.4Å; T93-E95 PolarHBondContact O-N 2.92Å; T93-L96 WeakPolarHBondContact O-CB 3.42Å; T93-L96 PolarHBondContact O-N 3.29Å; T93-L96 PolarHBondContact OG1-N 3.46Å; T93-L96 VanDerWaalsContact OG1-N 3.16Å; T93-Y97 VanDerWaalsContact O-CD2 3.28Å; T93-Y97 WeakPolarHBondContact O-CD2 3.44Å; T93-Y97 PolarHBondContact O-N 3.5Å; T93-Y97 VanDerWaalsContact O-N 3.16Å
94	Q	91.1	Very high	90.5	Very high	116 Å²	116	44.9 Å²	44.9	54%	0.542	24%	0.244	S	C	.	.	H	α-helix	trans	-55.5	-34.8	172.2	-158.2	74.7	37.1	0	0	112	K98 E250	Q94-K98 WeakPolarHBondContact O-CB 3.38Å; Q94-K98 PolarHBondContact O-N 2.91Å; Q94-E250 PolarHBondContact NE2-OE1 3.02Å
95	E	91.9	Very high	90.6	Very high	124 Å²	124	45.9 Å²	45.9	58%	0.579	25%	0.249	S	C	*	.	H	α-helix	trans	-67	-38.9	177	-174	-179.7	-177.1	0	0	112	T93 K98 N99	T93-E95 PolarHBondContact O-N 2.92Å; E95-K98 PolarHBondContact O-N 2.89Å; E95-N99 WeakPolarHBondContact O-CB 3.47Å; E95-N99 PolarHBondContact O-N 3.44Å; E95-N99 PolarHBondContact O-ND2 3.33Å
96	L	93.3	Very high	91	Very high	16 Å²	16	47 Å²	47	8%	0.084	25%	0.252	C	S	.	.	H	α-helix	trans	-60.9	-51.3	174.7	178.4	67.6	0	0	0	110.7	I86 T93 K98 N99 I100	I86-L96 HydrophobicContact CB-CD1 3.88Å; I86-L96 HydrophobicContact CG2-CD1 3.84Å; T93-L96 WeakPolarHBondContact O-CB 3.42Å; T93-L96 PolarHBondContact O-N 3.29Å; T93-L96 PolarHBondContact OG1-N 3.46Å; T93-L96 VanDerWaalsContact OG1-N 3.16Å; L96-K98 VanDerWaalsContact C-N 3.32Å; L96-K98 PolarHBondContact O-N 2.84Å; L96-N99 PolarHBondContact O-N 3.23Å; L96-I100 HydrophobicContact CD1-CD1 4.36Å; L96-I100 HydrophobicContact CG-CD1 4.02Å; L96-I100 WeakPolarHBondContact O-CG1 3.47Å; L96-I100 PolarHBondContact O-N 2.88Å
97	Y	95.1	Very high	91.4	Very high	26 Å²	26	46.9 Å²	46.9	10%	0.102	25%	0.252	C	S	.	.	H	α-helix	trans	-64.2	-37.1	179.4	-71.1	-67.6	0	0	0	112.6	D92 T93 I100 G101 V249 E250 V253	D92-Y97 HydrophobicContact CB-CE2 3.84Å; T93-Y97 VanDerWaalsContact O-CD2 3.28Å; T93-Y97 WeakPolarHBondContact O-CD2 3.44Å; T93-Y97 PolarHBondContact O-N 3.5Å; T93-Y97 VanDerWaalsContact O-N 3.16Å; Y97-I100 HydrophobicContact CD1-CD1 4.36Å; Y97-I100 PolarHBondContact O-N 2.66Å; Y97-G101 PolarHBondContact O-N 2.94Å; Y97-V249 HydrophobicContact CD1-CG1 4.4Å; Y97-V249 WeakPolarHBondContact O-CG1 3.45Å; Y97-E250 HydrophobicContact CD1-CB 4.3Å; Y97-E250 HydrophobicContact CD1-CG 3.68Å; Y97-E250 HydrophobicContact CD2-CG 3.7Å; Y97-E250 HydrophobicContact CE1-CB 4.32Å; Y97-E250 HydrophobicContact CE1-CG 4.04Å; Y97-E250 HydrophobicContact CE2-CG 4.07Å; Y97-E250 HydrophobicContact CG-CG 3.48Å; Y97-E250 VanDerWaalsContact CG-CG 3.48Å; Y97-V253 HydrophobicContact CD1-CG2 4.47Å; Y97-V253 HydrophobicContact CE1-CB 3.9Å; Y97-V253 HydrophobicContact CE1-CG1 3.87Å; Y97-V253 HydrophobicContact CE1-CG2 4.31Å
98	K	95.2	Very high	91.7	Very high	96 Å²	96	47.6 Å²	47.6	42%	0.417	26%	0.258	S	S	.	.	H	α-helix	trans	-58.2	-50.3	171.5	-177.2	-176.2	174.6	-173.4	0	111.4	Q94 E95 L96 I100 G101 D102	Q94-K98 WeakPolarHBondContact O-CB 3.38Å; Q94-K98 PolarHBondContact O-N 2.91Å; E95-K98 PolarHBondContact O-N 2.89Å; L96-K98 VanDerWaalsContact C-N 3.32Å; L96-K98 PolarHBondContact O-N 2.84Å; K98-I100 VanDerWaalsContact C-N 3.3Å; K98-I100 PolarHBondContact O-N 3.23Å; K98-G101 PolarHBondContact O-N 3.42Å; K98-D102 VanDerWaalsContact O-CG 3.3Å; K98-D102 PolarHBondContact O-N 2.96Å
99	N	95.6	Very high	92.1	Very high	13 Å²	13	46.9 Å²	46.9	7%	0.07	26%	0.257	C	S	.	.	H	α-helix	trans	-63.4	-35.4	178.8	-78.8	-41.4	0	0	0	112.5	R64 C66 P84 I86 E95 L96 C103	R64-N99 PolarHBondContact O-ND2 3.23Å; C66-N99 PolarHBondContact SG-O 3.49Å; C66-N99 VanDerWaalsContact SG-O 3.35Å; P84-N99 HydrophobicContact CG-CB 3.91Å; I86-N99 HydrophobicContact CG2-CB 3.62Å; E95-N99 WeakPolarHBondContact O-CB 3.47Å; E95-N99 PolarHBondContact O-N 3.44Å; E95-N99 PolarHBondContact O-ND2 3.33Å; L96-N99 PolarHBondContact O-N 3.23Å; N99-C103 WeakPolarHBondContact O-CB 3.43Å; N99-C103 PolarHBondContact O-N 2.9Å
100	I	97.1	Very high	93	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.015	22%	0.224	C	C	.	.	H	α-helix	trans	-62.6	-50	172.1	-68.9	165.1	0	0	0	110.2	L96 Y97 K98 D102 C103 Y104 V137 V249 V253	L96-I100 HydrophobicContact CD1-CD1 4.36Å; L96-I100 HydrophobicContact CG-CD1 4.02Å; L96-I100 WeakPolarHBondContact O-CG1 3.47Å; L96-I100 PolarHBondContact O-N 2.88Å; Y97-I100 HydrophobicContact CD1-CD1 4.36Å; Y97-I100 PolarHBondContact O-N 2.66Å; K98-I100 VanDerWaalsContact C-N 3.3Å; K98-I100 PolarHBondContact O-N 3.23Å; I100-D102 VanDerWaalsContact C-N 3.32Å; I100-D102 PolarHBondContact O-N 2.83Å; I100-C103 WeakPolarHBondContact O-CA 3.44Å; I100-C103 VanDerWaalsContact O-CB 3.26Å; I100-C103 WeakPolarHBondContact O-CB 3.44Å; I100-C103 PolarHBondContact O-N 3Å; I100-C103 VanDerWaalsContact O-N 3.08Å; I100-Y104 HydrophobicContact CG2-CD2 3.98Å; I100-Y104 HydrophobicContact CG2-CE2 4Å; I100-Y104 WeakPolarHBondContact O-CD2 3.23Å; I100-Y104 PolarHBondContact O-N 3.42Å; I100-V137 HydrophobicContact CD1-CG2 3.9Å; I100-V137 HydrophobicContact CG1-CG1 4.42Å; I100-V137 HydrophobicContact CG1-CG2 4.13Å; I100-V137 HydrophobicContact CG2-CG1 3.8Å; I100-V249 HydrophobicContact CB-CG1 4.07Å; I100-V249 HydrophobicContact CG2-CG1 3.73Å; I100-V253 HydrophobicContact CD1-CG2 4.2Å; I100-V253 HydrophobicContact CG2-CG2 4.09Å
101	G	96.9	Very high	94.1	Very high	2 Å²	2	36.8 Å²	36.8	2%	0.021	20%	0.199	C	C	.	.	H	α-helix	trans	-58.2	-43.4	177.6	0	0	0	0	0	112.6	Y97 K98 C103 Y104 L105 Y245	Y97-G101 PolarHBondContact O-N 2.94Å; K98-G101 PolarHBondContact O-N 3.42Å; G101-C103 VanDerWaalsContact C-N 3.3Å; G101-C103 PolarHBondContact O-N 2.95Å; G101-Y104 WeakPolarHBondContact O-CB 2.77Å; G101-Y104 PolarHBondContact O-N 3.44Å; G101-L105 WeakPolarHBondContact O-CG 3.37Å; G101-L105 PolarHBondContact O-N 3.14Å; G101-Y245 PolarHBondContact O-OH 3.26Å; G101-Y245 VanDerWaalsContact O-OH 3.05Å
102	D	96.2	Very high	94.9	Very high	33 Å²	33	34.4 Å²	34.4	18%	0.176	18%	0.175	C	C	.	.	H	α-helix	trans	-62.2	-38.1	175.7	-67.2	-14	0	0	0	111.2	C66 K98 I100 Y104 L105 L106 Y242	C66-D102 HydrophobicContact CB-CB 4.37Å; K98-D102 VanDerWaalsContact O-CG 3.3Å; K98-D102 PolarHBondContact O-N 2.96Å; I100-D102 VanDerWaalsContact C-N 3.32Å; I100-D102 PolarHBondContact O-N 2.83Å; D102-Y104 PolarHBondContact O-N 2.91Å; D102-L105 PolarHBondContact O-N 2.91Å; D102-L106 WeakPolarHBondContact O-CB 3.49Å; D102-L106 WeakPolarHBondContact O-CG 3.28Å; D102-L106 PolarHBondContact O-N 3.23Å; D102-Y242 PolarHBondContact OD1-OH 2.9Å
103	C	96.7	Very high	95.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.9	-44.1	174	-166.4	0	0	0	0	112.1	N99 I100 G101 L106 S107	N99-C103 WeakPolarHBondContact O-CB 3.43Å; N99-C103 PolarHBondContact O-N 2.9Å; I100-C103 WeakPolarHBondContact O-CA 3.44Å; I100-C103 VanDerWaalsContact O-CB 3.26Å; I100-C103 WeakPolarHBondContact O-CB 3.44Å; I100-C103 PolarHBondContact O-N 3Å; I100-C103 VanDerWaalsContact O-N 3.08Å; G101-C103 VanDerWaalsContact C-N 3.3Å; G101-C103 PolarHBondContact O-N 2.95Å; C103-L106 PolarHBondContact O-N 3.28Å; C103-S107 WeakPolarHBondContact O-CB 3.36Å; C103-S107 PolarHBondContact O-N 2.91Å; C103-S107 PolarHBondContact O-OG 3.49Å
104	Y	97.8	Very high	96.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-62.9	-46.4	175.7	-91.8	-96.3	0	0	0	112.1	I100 G101 D102 L106 S107 A108 V137 F138 N221 L223 F224 Y245	I100-Y104 HydrophobicContact CG2-CD2 3.98Å; I100-Y104 HydrophobicContact CG2-CE2 4Å; I100-Y104 WeakPolarHBondContact O-CD2 3.23Å; I100-Y104 PolarHBondContact O-N 3.42Å; G101-Y104 WeakPolarHBondContact O-CB 2.77Å; G101-Y104 PolarHBondContact O-N 3.44Å; D102-Y104 PolarHBondContact O-N 2.91Å; Y104-L106 PolarHBondContact O-N 3.25Å; Y104-S107 PolarHBondContact O-N 3.38Å; Y104-A108 PolarHBondContact O-N 3Å; Y104-V137 HydrophobicContact CE2-CG1 3.96Å; Y104-V137 PolarHBondContact OH-O 2.75Å; Y104-F138 HydrophobicContact CD2-CE1 4.1Å; Y104-F138 HydrophobicContact CE1-CD1 4.44Å; Y104-F138 AromaticContact CE2-CD1 3.77Å; Y104-F138 HydrophobicContact CE2-CD1 3.77Å; Y104-F138 AromaticContact CE2-CE1 3.67Å; Y104-F138 HydrophobicContact CE2-CE1 3.67Å; Y104-F138 AromaticContact CZ-CD1 3.69Å; Y104-F138 AromaticContact CZ-CE1 4Å; Y104-N221 WeakPolarHBondContact CE1-OD1 3.47Å; Y104-N221 PolarHBondContact OH-ND2 2.72Å; Y104-N221 VanDerWaalsContact OH-ND2 3.11Å; Y104-L223 HydrophobicContact CD1-CB 4Å; Y104-L223 HydrophobicContact CD1-CD2 3.82Å; Y104-L223 HydrophobicContact CD1-CG 3.7Å; Y104-L223 HydrophobicContact CD2-CD2 3.83Å; Y104-L223 HydrophobicContact CE1-CB 3.75Å; Y104-L223 HydrophobicContact CE1-CD2 3.73Å; Y104-L223 HydrophobicContact CE1-CG 3.85Å; Y104-L223 HydrophobicContact CE2-CD2 3.76Å; Y104-L223 HydrophobicContact CG-CD2 3.85Å; Y104-L223 HydrophobicContact CG-CG 4.04Å; Y104-F224 AromaticContact CD1-CD1 3.58Å; Y104-F224 HydrophobicContact CD1-CD1 3.58Å; Y104-F224 AromaticContact CD1-CD2 3.84Å; Y104-F224 HydrophobicContact CD1-CD2 3.84Å; Y104-F224 AromaticContact CD1-CE1 3.49Å; Y104-F224 HydrophobicContact CD1-CE1 3.49Å; Y104-F224 VanDerWaalsContact CD1-CE1 3.49Å; Y104-F224 AromaticContact CD1-CE2 3.79Å; Y104-F224 HydrophobicContact CD1-CE2 3.79Å; Y104-F224 AromaticContact CD1-CG 3.75Å; Y104-F224 HydrophobicContact CD1-CG 3.75Å; Y104-F224 AromaticContact CD1-CZ 3.59Å; Y104-F224 HydrophobicContact CD1-CZ 3.59Å; Y104-F224 HydrophobicContact CE1-CD1 4.17Å; Y104-F224 AromaticContact CE1-CD2 3.55Å; Y104-F224 HydrophobicContact CE1-CD2 3.55Å; Y104-F224 HydrophobicContact CE1-CE1 4.02Å; Y104-F224 AromaticContact CE1-CE2 3.41Å; Y104-F224 HydrophobicContact CE1-CE2 3.41Å; Y104-F224 VanDerWaalsContact CE1-CE2 3.41Å; Y104-F224 AromaticContact CE1-CG 3.94Å; Y104-F224 HydrophobicContact CE1-CG 3.94Å; Y104-F224 AromaticContact CE1-CZ 3.64Å; Y104-F224 HydrophobicContact CE1-CZ 3.64Å; Y104-F224 HydrophobicContact CG-CD1 4.46Å; Y104-F224 HydrophobicContact CG-CE1 4.09Å; Y104-F224 HydrophobicContact CG-CZ 4.27Å; Y104-Y245 WeakPolarHBondContact CB-OH 3.37Å
105	L	96.1	Very high	96.4	Very high	24 Å²	24	21.9 Å²	21.9	13%	0.126	11%	0.11	C	C	.	.	H	α-helix	trans	-58.2	-49.8	175.7	-74	165.7	0	0	0	111.1	G101 D102 S107 A108 A227 L230 Q231 Y242 Y245	G101-L105 WeakPolarHBondContact O-CG 3.37Å; G101-L105 PolarHBondContact O-N 3.14Å; D102-L105 PolarHBondContact O-N 2.91Å; L105-S107 PolarHBondContact O-N 3.38Å; L105-S107 VanDerWaalsContact O-N 3.17Å; L105-A108 PolarHBondContact O-N 3.29Å; L105-A227 HydrophobicContact CD2-CB 3.89Å; L105-A227 HydrophobicContact CG-CB 4.38Å; L105-L230 HydrophobicContact CD1-CD2 4.41Å; L105-L230 HydrophobicContact CD2-CB 4.41Å; L105-L230 HydrophobicContact CD2-CD2 3.99Å; L105-Q231 HydrophobicContact CD2-CG 4.21Å; L105-Q231 PolarHBondContact O-NE2 2.66Å; L105-Y242 HydrophobicContact CD1-CE2 4.14Å; L105-Y245 HydrophobicContact CD1-CD1 4.29Å; L105-Y245 HydrophobicContact CD1-CE1 3.68Å; L105-Y245 HydrophobicContact CD2-CE1 4.32Å; L105-Y245 HydrophobicContact CG-CE1 3.81Å
106	L	96.5	Very high	96.7	Very high	57 Å²	57	16.2 Å²	16.2	30%	0.298	8%	0.083	S	C	.	.	H	α-helix	trans	-68.7	-15.7	-176.5	-67.1	176.1	0	0	0	114.1	C66 V68 V81 D102 C103 Y104	C66-L106 HydrophobicContact CB-CD1 3.62Å; V68-L106 HydrophobicContact CB-CB 4.4Å; V68-L106 HydrophobicContact CB-CD1 4.36Å; V68-L106 HydrophobicContact CB-CD2 4.16Å; V68-L106 HydrophobicContact CG1-CD2 3.73Å; V81-L106 HydrophobicContact CG1-CB 4.35Å; V81-L106 HydrophobicContact CG1-CD1 4.45Å; V81-L106 HydrophobicContact CG2-CB 4.15Å; D102-L106 WeakPolarHBondContact O-CB 3.49Å; D102-L106 WeakPolarHBondContact O-CG 3.28Å; D102-L106 PolarHBondContact O-N 3.23Å; C103-L106 PolarHBondContact O-N 3.28Å; Y104-L106 PolarHBondContact O-N 3.25Å
107	S	96.1	Very high	97	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-116.8	2	-176.7	60.2	0	0	0	0	114.8	R29 I31 C103 Y104 L105 G110 F224	R29-S107 WeakPolarHBondContact CD-O 3.34Å; R29-S107 PolarHBondContact NE-O 3.37Å; I31-S107 VanDerWaalsContact CD1-OG 3.29Å; I31-S107 WeakPolarHBondContact CD1-OG 3.31Å; C103-S107 WeakPolarHBondContact O-CB 3.36Å; C103-S107 PolarHBondContact O-N 2.91Å; C103-S107 PolarHBondContact O-OG 3.49Å; Y104-S107 PolarHBondContact O-N 3.38Å; L105-S107 PolarHBondContact O-N 3.38Å; L105-S107 VanDerWaalsContact O-N 3.17Å; S107-G110 CarbonylContact O-C 3.51Å; S107-G110 VanDerWaalsContact O-C 3.24Å; S107-G110 VanDerWaalsContact O-CA 3.25Å; S107-G110 WeakPolarHBondContact O-CA 3.33Å; S107-G110 PolarHBondContact O-N 3.14Å; S107-F224 WeakPolarHBondContact OG-CE1 3.17Å
108	A	96	Very high	97.1	Very high	17 Å²	17	14.3 Å²	14.3	14%	0.14	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	141.9	175.8	0	0	0	0	0	112.4	Y104 L105 G110 A227 Q228	Y104-A108 PolarHBondContact O-N 3Å; L105-A108 PolarHBondContact O-N 3.29Å; A108-G110 VanDerWaalsContact C-N 3.26Å; A108-A227 HydrophobicContact CB-CB 4.23Å; A108-Q228 HydrophobicContact CB-CG 3.8Å
109	P	96.2	Very high	97.1	Very high	27 Å²	27	11.5 Å²	11.5	18%	0.175	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	cis	-73.6	3.1	1.7	30	-37.5	0	0	0	116	F218 S220 F224 Q228	P109-F218 HydrophobicContact CB-CE2 3.59Å; P109-F218 HydrophobicContact CB-CZ 3.62Å; P109-F218 HydrophobicContact CG-CD2 4.41Å; P109-F218 HydrophobicContact CG-CE1 3.92Å; P109-F218 HydrophobicContact CG-CE2 3.7Å; P109-F218 HydrophobicContact CG-CZ 3.42Å; P109-F218 VanDerWaalsContact CG-CZ 3.42Å; P109-F218 VanDerWaalsContact O-CE2 3.28Å; P109-F218 WeakPolarHBondContact O-CE2 3.38Å; P109-S220 PolarHBondContact O-OG 3.12Å; P109-S220 VanDerWaalsContact O-OG 3.07Å; P109-F224 VanDerWaalsContact O-CB 3.29Å; P109-F224 WeakPolarHBondContact O-CB 3.5Å; P109-F224 WeakPolarHBondContact O-CG 3.3Å; P109-Q228 HydrophobicContact CB-CG 4.35Å
110	G	97.3	Very high	97.1	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.062	C	C	.	.			trans	144.4	151	-179.2	0	0	0	0	0	112.9	R29 S107 A108 H219	R29-G110 PolarHBondContact NE-O 2.62Å; R29-G110 PolarHBondContact NH2-O 2.79Å; S107-G110 CarbonylContact O-C 3.51Å; S107-G110 VanDerWaalsContact O-C 3.24Å; S107-G110 VanDerWaalsContact O-CA 3.25Å; S107-G110 WeakPolarHBondContact O-CA 3.33Å; S107-G110 PolarHBondContact O-N 3.14Å; A108-G110 VanDerWaalsContact C-N 3.26Å; G110-H219 CarbonylContact C-O 3.58Å; G110-H219 WeakPolarHBondContact CA-O 3.32Å
111	P	97.8	Very high	96.9	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	9%	0.088	C	C	.	.			trans	-70.3	139.1	-179.1	28.6	-34.7	0	0	0	111.6	I31 V113 L114 F218 H219 F224	I31-P111 HydrophobicContact CD1-CB 3.68Å; I31-P111 HydrophobicContact CD1-CG 3.67Å; I31-P111 HydrophobicContact CG1-CB 3.9Å; I31-P111 HydrophobicContact CG1-CG 4.42Å; P111-V113 VanDerWaalsContact C-N 3.29Å; P111-L114 HydrophobicContact CG-CD2 4.36Å; P111-L114 HydrophobicContact CG-CG 4.14Å; P111-F218 WeakPolarHBondContact O-CB 3.21Å; P111-H219 HydrophobicContact CG-CB 4.21Å; P111-H219 PolarHBondContact O-N 3.04Å; P111-F224 HydrophobicContact CG-CZ 4.34Å
112	H	97.6	Very high	96.6	Very high	20 Å²	20	21.2 Å²	21.2	9%	0.093	12%	0.116	C	C	.	.	S	Bend	trans	-72.4	-33.1	165.5	-62.5	87.3	0	0	0	110.4	A27 L28 R29 H145	A27-H112 PolarHBondContact O-CE1 3.48Å; L28-H112 HydrophobicContact CD1-CB 3.67Å; R29-H112 PolarHBondContact N-ND1 3.25Å; R29-H112 PolarHBondContact NH1-CE1 3.27Å; R29-H112 VanDerWaalsContact NH1-CE1 3.35Å; R29-H112 PolarHBondContact NH2-CE1 2.98Å; R29-H112 VanDerWaalsContact NH2-CE1 3.28Å; R29-H112 PolarHBondContact O-N 2.92Å; H112-H145 PolarHBondContact O-ND1 3.14Å
113	V	98.2	Very high	96.5	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.006	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	130.7	-175	-171.9	0	0	0	0	109.9	L28 R29 I30 I31 P111 L115 H145 V147 I207 L210	L28-V113 HydrophobicContact CD1-CG2 4.44Å; R29-V113 PolarHBondContact O-N 3.49Å; I30-V113 WeakPolarHBondContact CA-O 3.48Å; I30-V113 HydrophobicContact CG1-CB 4.35Å; I30-V113 HydrophobicContact CG2-CB 4.46Å; I31-V113 PolarHBondContact N-O 3.47Å; P111-V113 VanDerWaalsContact C-N 3.29Å; V113-L115 HydrophobicContact CG1-CD1 4.5Å; V113-H145 WeakPolarHBondContact CA-O 3.06Å; V113-V147 HydrophobicContact CG1-CB 4.07Å; V113-V147 HydrophobicContact CG1-CG2 3.79Å; V113-I207 HydrophobicContact CG1-CG1 4.43Å; V113-I207 HydrophobicContact CG2-CB 4.34Å; V113-I207 HydrophobicContact CG2-CD1 3.98Å; V113-I207 HydrophobicContact CG2-CG1 3.81Å; V113-I207 HydrophobicContact CG2-CG2 3.77Å; V113-L210 HydrophobicContact CG2-CD2 4.19Å
114	L	98.6	Very high	96.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	108.2	162	-75.3	155.2	0	0	0	107.2	I31 V33 P111 L116 V134 F138 A142 H145 V146 V147	I31-L114 HydrophobicContact CB-CD2 4.02Å; I31-L114 HydrophobicContact CD1-CD2 4.28Å; I31-L114 HydrophobicContact CG2-CD2 4.3Å; V33-L114 HydrophobicContact CG1-CD2 3.78Å; P111-L114 HydrophobicContact CG-CD2 4.36Å; P111-L114 HydrophobicContact CG-CG 4.14Å; L114-L116 PolarHBondContact O-N 3.35Å; L114-V134 HydrophobicContact CD1-CG1 4.49Å; L114-F138 HydrophobicContact CD1-CD2 4.35Å; L114-F138 HydrophobicContact CD2-CD2 3.8Å; L114-F138 HydrophobicContact CD2-CE2 3.64Å; L114-F138 HydrophobicContact CD2-CG 4.44Å; L114-F138 HydrophobicContact CD2-CZ 4.18Å; L114-A142 HydrophobicContact CD1-CB 3.64Å; L114-H145 PolarHBondContact N-O 2.99Å; L114-V146 HydrophobicContact CB-CG2 3.8Å; L114-V146 HydrophobicContact CD1-CG2 4.35Å; L114-V146 VanDerWaalsContact O-CA 3.26Å; L114-V146 WeakPolarHBondContact O-CA 3.39Å; L114-V147 PolarHBondContact O-N 2.85Å
115	L	98.6	Very high	96.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	102.3	-177.2	-161.5	63.8	0	0	0	108.9	I30 I31 L32 V33 T43 I47 V113 V117 V147 L149 L203	I30-L115 HydrophobicContact CG2-CB 3.86Å; I30-L115 HydrophobicContact CG2-CD2 4.23Å; I31-L115 PolarHBondContact O-N 3.47Å; L32-L115 HydrophobicContact CD2-CB 4Å; L32-L115 HydrophobicContact CD2-CD2 3.76Å; L32-L115 HydrophobicContact CD2-CG 4.43Å; V33-L115 PolarHBondContact N-O 3.46Å; T43-L115 HydrophobicContact CG2-CD2 4.31Å; I47-L115 HydrophobicContact CD1-CD2 3.46Å; I47-L115 VanDerWaalsContact CD1-CD2 3.46Å; V113-L115 HydrophobicContact CG1-CD1 4.5Å; L115-V117 PolarHBondContact O-N 3.09Å; L115-V147 WeakPolarHBondContact CA-O 3.29Å; L115-V147 HydrophobicContact CD1-CB 3.81Å; L115-V147 HydrophobicContact CD1-CG1 3.84Å; L115-L149 HydrophobicContact CD1-CB 3.88Å; L115-L149 HydrophobicContact CD1-CD1 4.22Å; L115-L149 HydrophobicContact CD2-CB 4.34Å; L115-L149 HydrophobicContact CD2-CD1 3.6Å; L115-L149 HydrophobicContact CG-CB 3.87Å; L115-L149 HydrophobicContact CG-CD1 4.06Å; L115-L203 HydrophobicContact CD1-CD1 3.83Å; L115-L203 HydrophobicContact CD2-CD2 4.19Å
116	L	98.6	Very high	96.2	Very high	5 Å²	5	31.5 Å²	31.5	3%	0.026	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	103.2	-179.4	177.4	64.3	0	0	0	109.6	V33 L114 I118 I131 V146 V147 L149 L176	V33-L116 HydrophobicContact CG2-CB 4.07Å; V33-L116 HydrophobicContact CG2-CD1 3.98Å; V33-L116 WeakPolarHBondContact O-CA 3.41Å; L114-L116 PolarHBondContact O-N 3.35Å; L116-I118 HydrophobicContact CD2-CD1 4Å; L116-I118 HydrophobicContact CG-CD1 4.07Å; L116-I118 HydrophobicContact CG-CG1 4.06Å; L116-I131 HydrophobicContact CD1-CG1 4.31Å; L116-I131 HydrophobicContact CD2-CD1 4.22Å; L116-I131 HydrophobicContact CD2-CG1 3.62Å; L116-V146 HydrophobicContact CB-CG1 3.81Å; L116-V146 HydrophobicContact CD2-CG1 4.41Å; L116-V147 PolarHBondContact N-O 2.67Å; L116-L149 PolarHBondContact O-N 2.9Å; L116-L176 HydrophobicContact CD2-CD1 3.95Å; L116-L176 HydrophobicContact CD2-CD2 3.84Å; L116-L176 HydrophobicContact CD2-CG 4.46Å
117	V	98.3	Very high	96.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	118.3	-176.2	-173.5	0	0	0	0	109.9	V33 C38 K40 T43 L115 L149 T151	V33-V117 PolarHBondContact O-N 2.99Å; C38-V117 HydrophobicContact CB-CG1 4.39Å; C38-V117 WeakPolarHBondContact O-CG1 3.43Å; C38-V117 PolarHBondContact SG-O 2.89Å; K40-V117 HydrophobicContact CG-CB 4.1Å; K40-V117 HydrophobicContact CG-CG2 4.14Å; T43-V117 HydrophobicContact CG2-CG2 4.4Å; L115-V117 PolarHBondContact O-N 3.09Å; V117-L149 WeakPolarHBondContact CA-O 3.37Å; V117-L149 HydrophobicContact CG1-CD2 4.32Å; V117-T151 HydrophobicContact CG1-CG2 3.51Å
118	I	97.7	Very high	96.3	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	144.8	-179.1	-57.6	-179.2	0	0	0	108.1	L116 F123 I148 L149 F150 T151 L176	L116-I118 HydrophobicContact CD2-CD1 4Å; L116-I118 HydrophobicContact CG-CD1 4.07Å; L116-I118 HydrophobicContact CG-CG1 4.06Å; I118-F123 HydrophobicContact CD1-CD2 4.13Å; I118-F123 HydrophobicContact CD1-CE2 3.94Å; I118-F123 HydrophobicContact CG2-CD2 4.29Å; I118-I148 HydrophobicContact CD1-CG2 3.87Å; I118-I148 HydrophobicContact CG1-CG2 4.4Å; I118-L149 PolarHBondContact N-O 3.43Å; I118-F150 HydrophobicContact CB-CD1 4.26Å; I118-F150 HydrophobicContact CB-CE1 4.41Å; I118-F150 HydrophobicContact CG2-CD1 4.31Å; I118-F150 HydrophobicContact CG2-CE1 4.27Å; I118-F150 CarbonylContact O-C 3.52Å; I118-F150 VanDerWaalsContact O-CA 3.24Å; I118-F150 WeakPolarHBondContact O-CA 3.31Å; I118-T151 PolarHBondContact O-N 3.07Å; I118-T151 PolarHBondContact O-OG1 2.99Å; I118-L176 HydrophobicContact CD1-CD2 3.73Å
119	Q	96.1	Very high	96.3	Very high	37 Å²	37	33.2 Å²	33.2	17%	0.173	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	129.7	172	178.8	170.5	1.5	0	0	110.2	R122 T151	Q119-R122 PolarHBondContact O-N 3.45Å; Q119-T151 WeakPolarHBondContact CA-OG1 3.46Å
120	L	95.9	Very high	96.3	Very high	7 Å²	7	31.9 Å²	31.9	4%	0.037	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	143.4	176.5	-168.4	76.2	0	0	0	111	R122 F150 T151 H152 D155 L156 L161 Y164	L120-R122 PolarHBondContact O-N 3.22Å; L120-F150 HydrophobicContact CB-CB 4.29Å; L120-F150 HydrophobicContact CD1-CB 3.84Å; L120-F150 HydrophobicContact CD1-CD1 4.05Å; L120-F150 HydrophobicContact CD1-CG 3.95Å; L120-T151 WeakPolarHBondContact CB-O 3.47Å; L120-T151 PolarHBondContact N-O 3.13Å; L120-H152 WeakPolarHBondContact CD2-O 3.48Å; L120-D155 HydrophobicContact CD2-CB 4.2Å; L120-L156 HydrophobicContact CD1-CD2 4.36Å; L120-L156 HydrophobicContact CD2-CB 4.48Å; L120-L156 HydrophobicContact CD2-CD1 4.49Å; L120-L156 HydrophobicContact CD2-CD2 3.72Å; L120-L156 HydrophobicContact CD2-CG 3.54Å; L120-L161 HydrophobicContact CD1-CD1 4.01Å; L120-Y164 HydrophobicContact CD1-CD1 3.64Å; L120-Y164 HydrophobicContact CD1-CE1 3.56Å; L120-Y164 HydrophobicContact CD1-CG 4.16Å
121	G	92.9	Very high	96.3	Very high	55 Å²	55	32.6 Å²	32.6	57%	0.567	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.2	-8.9	178.6	0	0	0	0	0	115.1	Y164	G121-Y164 WeakPolarHBondContact CA-OH 3.24Å; G121-Y164 PolarHBondContact N-OH 3.49Å; G121-Y164 VanDerWaalsContact N-OH 3.13Å
122	R	89	Confident	96.2	Very high	160 Å²	160	37.6 Å²	37.6	60%	0.604	20%	0.204	S	C	*	.			trans	-131.6	88.1	-176.7	-58.4	-175.6	82.9	152.9	4.9	111.3	Q119 L120	Q119-R122 PolarHBondContact O-N 3.45Å; L120-R122 PolarHBondContact O-N 3.22Å
123	F	95	Very high	96.2	Very high	25 Å²	25	37.9 Å²	37.9	11%	0.11	21%	0.205	C	C	.	.			trans	-99.7	109.9	168.9	-168.4	-90.8	0	0	0	110.4	I118 D127 T128 I131 N170 S172 L173 L176	I118-F123 HydrophobicContact CD1-CD2 4.13Å; I118-F123 HydrophobicContact CD1-CE2 3.94Å; I118-F123 HydrophobicContact CG2-CD2 4.29Å; F123-D127 HydrophobicContact CD2-CB 4.09Å; F123-D127 HydrophobicContact CE2-CB 3.93Å; F123-D127 HydrophobicContact CZ-CB 4.3Å; F123-T128 WeakPolarHBondContact CE1-OG1 3.37Å; F123-I131 HydrophobicContact CE2-CD1 3.92Å; F123-I131 HydrophobicContact CZ-CD1 3.71Å; F123-N170 PolarHBondContact O-ND2 3.41Å; F123-S172 VanDerWaalsContact CE1-CB 3.46Å; F123-L173 HydrophobicContact CB-CB 4.35Å; F123-L173 HydrophobicContact CB-CD2 4.44Å; F123-L173 HydrophobicContact CD1-CB 4.26Å; F123-L173 HydrophobicContact CD2-CB 4.22Å; F123-L173 HydrophobicContact CD2-CD1 3.79Å; F123-L173 HydrophobicContact CD2-CG 4.49Å; F123-L173 HydrophobicContact CE2-CD1 4.14Å; F123-L173 HydrophobicContact CG-CB 4Å; F123-L173 HydrophobicContact CG-CD1 4.36Å; F123-L176 HydrophobicContact CE2-CD2 3.81Å; F123-L176 HydrophobicContact CZ-CD2 4.37Å
124	T	94.7	Very high	96.2	Very high	50 Å²	50	38 Å²	38	31%	0.307	21%	0.205	S	C	.	.			trans	-113.2	170.4	-170	70.9	0	0	0	0	112.6	Q126 D127 T128	T124-Q126 PolarHBondContact O-N 3.49Å; T124-Q126 PolarHBondContact OG1-N 2.77Å; T124-D127 WeakPolarHBondContact CA-OD2 3.48Å; T124-D127 WeakPolarHBondContact CB-OD2 3.06Å; T124-D127 PolarHBondContact N-OD2 3.05Å; T124-D127 WeakPolarHBondContact O-CB 3.36Å; T124-D127 PolarHBondContact O-N 3.08Å; T124-D127 PolarHBondContact OG1-N 2.9Å; T124-D127 PolarHBondContact OG1-OD2 3.29Å; T124-T128 PolarHBondContact O-N 3.43Å; T124-T128 VanDerWaalsContact O-N 3.14Å; T124-T128 PolarHBondContact O-OG1 3.16Å
125	A	95	Very high	96.2	Very high	78 Å²	78	39.6 Å²	39.6	65%	0.645	21%	0.212	S	C	*	.	H	α-helix	trans	-57.5	-31.4	170.3	0	0	0	0	0	112.3	D127 T128 V129	A125-D127 VanDerWaalsContact C-N 3.34Å; A125-T128 WeakPolarHBondContact O-CB 3.39Å; A125-T128 PolarHBondContact O-N 3.16Å; A125-V129 WeakPolarHBondContact O-CG2 3.48Å; A125-V129 PolarHBondContact O-N 2.94Å
126	Q	95.1	Very high	96.1	Very high	121 Å²	121	40.2 Å²	40.2	57%	0.565	22%	0.215	S	C	*	.	H	α-helix	trans	-66.9	-35.6	175.4	-66.7	179.6	-14.7	0	0	112.1	K35 T124 T128 V129 A130	K35-Q126 HydrophobicContact CB-CB 4.45Å; K35-Q126 HydrophobicContact CD-CB 3.8Å; T124-Q126 PolarHBondContact O-N 3.49Å; T124-Q126 PolarHBondContact OG1-N 2.77Å; Q126-T128 VanDerWaalsContact C-N 3.34Å; Q126-V129 PolarHBondContact O-N 2.77Å; Q126-A130 PolarHBondContact O-N 3.44Å
127	D	96.4	Very high	96	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.011	22%	0.215	C	C	.	.	H	α-helix	trans	-67.6	-38.9	174.7	-56.4	-70	0	0	0	110.6	K35 F123 T124 A125 A130 I131	K35-D127 WeakPolarHBondContact CD-OD1 3.34Å; K35-D127 WeakPolarHBondContact CE-OD1 3.35Å; F123-D127 HydrophobicContact CD2-CB 4.09Å; F123-D127 HydrophobicContact CE2-CB 3.93Å; F123-D127 HydrophobicContact CZ-CB 4.3Å; T124-D127 WeakPolarHBondContact CA-OD2 3.48Å; T124-D127 WeakPolarHBondContact CB-OD2 3.06Å; T124-D127 PolarHBondContact N-OD2 3.05Å; T124-D127 WeakPolarHBondContact O-CB 3.36Å; T124-D127 PolarHBondContact O-N 3.08Å; T124-D127 PolarHBondContact OG1-N 2.9Å; T124-D127 PolarHBondContact OG1-OD2 3.29Å; A125-D127 VanDerWaalsContact C-N 3.34Å; D127-A130 WeakPolarHBondContact O-CB 3.45Å; D127-A130 PolarHBondContact O-N 2.91Å; D127-I131 VanDerWaalsContact O-CD1 3.29Å; D127-I131 WeakPolarHBondContact O-CD1 3.44Å; D127-I131 VanDerWaalsContact O-CG1 3.31Å; D127-I131 WeakPolarHBondContact O-CG1 3.19Å; D127-I131 PolarHBondContact O-N 3.37Å
128	T	96.5	Very high	96	Very high	60 Å²	60	40.1 Å²	40.1	37%	0.368	22%	0.215	S	C	.	.	H	α-helix	trans	-61.8	-43.5	173.4	-55	0	0	0	0	111.8	F123 T124 A125 Q126 A130 I131 R132	F123-T128 WeakPolarHBondContact CE1-OG1 3.37Å; T124-T128 PolarHBondContact O-N 3.43Å; T124-T128 VanDerWaalsContact O-N 3.14Å; T124-T128 PolarHBondContact O-OG1 3.16Å; A125-T128 WeakPolarHBondContact O-CB 3.39Å; A125-T128 PolarHBondContact O-N 3.16Å; Q126-T128 VanDerWaalsContact C-N 3.34Å; T128-A130 VanDerWaalsContact C-N 3.33Å; T128-A130 PolarHBondContact O-N 3.04Å; T128-I131 PolarHBondContact O-N 3.19Å; T128-R132 PolarHBondContact O-N 3Å
129	V	96.2	Very high	96	Very high	47 Å²	47	40.3 Å²	40.3	29%	0.285	22%	0.217	S	C	.	.	H	α-helix	trans	-61.1	-41.9	173.1	168.7	0	0	0	0	111.1	A125 Q126 I131 R132 K133	A125-V129 WeakPolarHBondContact O-CG2 3.48Å; A125-V129 PolarHBondContact O-N 2.94Å; Q126-V129 PolarHBondContact O-N 2.77Å; V129-I131 VanDerWaalsContact C-N 3.35Å; V129-I131 PolarHBondContact O-N 3.28Å; V129-R132 WeakPolarHBondContact O-CB 3.39Å; V129-R132 PolarHBondContact O-N 2.92Å; V129-K133 HydrophobicContact CG1-CG 4.37Å; V129-K133 WeakPolarHBondContact O-CG 3.31Å; V129-K133 PolarHBondContact O-N 2.78Å
130	A	96.9	Very high	96.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.5	-41.8	178.7	0	0	0	0	0	112.3	F87 Q126 D127 T128 K133 V134	F87-A130 HydrophobicContact CB-CB 3.99Å; F87-A130 WeakPolarHBondContact O-CA 3.36Å; F87-A130 WeakPolarHBondContact O-CB 3.37Å; Q126-A130 PolarHBondContact O-N 3.44Å; D127-A130 WeakPolarHBondContact O-CB 3.45Å; D127-A130 PolarHBondContact O-N 2.91Å; T128-A130 VanDerWaalsContact C-N 3.33Å; T128-A130 PolarHBondContact O-N 3.04Å; A130-K133 PolarHBondContact O-N 2.85Å; A130-V134 WeakPolarHBondContact O-CG2 3.08Å; A130-V134 PolarHBondContact O-N 2.9Å
131	I	97.3	Very high	96.1	Very high	15 Å²	15	42.1 Å²	42.1	8%	0.077	24%	0.236	C	C	.	.	H	α-helix	trans	-62.9	-44.4	175.6	-65.2	151.2	0	0	0	110.9	L116 F123 D127 T128 V129 K133 V134 K135 M143 L176	L116-I131 HydrophobicContact CD1-CG1 4.31Å; L116-I131 HydrophobicContact CD2-CD1 4.22Å; L116-I131 HydrophobicContact CD2-CG1 3.62Å; F123-I131 HydrophobicContact CE2-CD1 3.92Å; F123-I131 HydrophobicContact CZ-CD1 3.71Å; D127-I131 VanDerWaalsContact O-CD1 3.29Å; D127-I131 WeakPolarHBondContact O-CD1 3.44Å; D127-I131 VanDerWaalsContact O-CG1 3.31Å; D127-I131 WeakPolarHBondContact O-CG1 3.19Å; D127-I131 PolarHBondContact O-N 3.37Å; T128-I131 PolarHBondContact O-N 3.19Å; V129-I131 VanDerWaalsContact C-N 3.35Å; V129-I131 PolarHBondContact O-N 3.28Å; I131-K133 VanDerWaalsContact C-N 3.32Å; I131-K133 PolarHBondContact O-N 3.42Å; I131-V134 WeakPolarHBondContact O-CB 2.89Å; I131-V134 PolarHBondContact O-N 3.39Å; I131-K135 PolarHBondContact O-N 3.24Å; I131-M143 HydrophobicContact CG2-CE 4.13Å; I131-L176 HydrophobicContact CD1-CD1 3.84Å; I131-L176 HydrophobicContact CD1-CD2 3.64Å; I131-L176 HydrophobicContact CD1-CG 4.2Å; I131-L176 HydrophobicContact CG1-CD1 4.07Å; I131-L176 HydrophobicContact CG1-CD2 4.43Å; I131-L176 HydrophobicContact CG2-CD1 4.17Å
132	R	96.6	Very high	96.3	Very high	104 Å²	104	39.5 Å²	39.5	39%	0.392	21%	0.209	S	C	.	.	H	α-helix	trans	-58.5	-45.9	174	-178	-175.2	167.6	147.2	9.5	110.9	T128 V129 V134 K135 E136 L260	T128-R132 PolarHBondContact O-N 3Å; V129-R132 WeakPolarHBondContact O-CB 3.39Å; V129-R132 PolarHBondContact O-N 2.92Å; R132-V134 VanDerWaalsContact C-N 3.32Å; R132-V134 PolarHBondContact O-N 3.23Å; R132-K135 WeakPolarHBondContact O-CA 3.09Å; R132-K135 WeakPolarHBondContact O-CB 3.18Å; R132-K135 PolarHBondContact O-N 2.85Å; R132-E136 HydrophobicContact CG-CG 4.49Å; R132-E136 IonicContact CZ-OE1 3.78Å; R132-E136 IonicContact NE-OE1 3.87Å; R132-E136 PolarHBondContact NE-OE1 3.24Å; R132-E136 IonicContact NH2-OE1 3.97Å; R132-E136 WeakPolarHBondContact O-CG 3.3Å; R132-E136 PolarHBondContact O-N 3.05Å; R132-L260 HydrophobicContact CG-CD2 3.87Å
133	K	96.9	Very high	96.7	Very high	26 Å²	26	32.2 Å²	32.2	11%	0.113	18%	0.182	C	C	.	.	H	α-helix	trans	-62.8	-34.7	177.3	-76.1	-75.3	174.4	-161.6	0	112.9	F87 E88 V129 A130 I131 K135 E136 V137	F87-K133 HydrophobicContact CB-CB 4.17Å; F87-K133 HydrophobicContact CD1-CB 4.03Å; E88-K133 WeakPolarHBondContact O-CE 3.38Å; V129-K133 HydrophobicContact CG1-CG 4.37Å; V129-K133 WeakPolarHBondContact O-CG 3.31Å; V129-K133 PolarHBondContact O-N 2.78Å; A130-K133 PolarHBondContact O-N 2.85Å; I131-K133 VanDerWaalsContact C-N 3.32Å; I131-K133 PolarHBondContact O-N 3.42Å; K133-K135 VanDerWaalsContact C-N 3.29Å; K133-K135 PolarHBondContact O-N 3.26Å; K133-E136 VanDerWaalsContact CD-OE2 3.32Å; K133-E136 WeakPolarHBondContact CD-OE2 3.5Å; K133-E136 WeakPolarHBondContact CE-OE2 3.43Å; K133-E136 IonicContact NZ-OE2 3.06Å; K133-E136 PolarHBondContact NZ-OE2 3.05Å; K133-E136 PolarHBondContact O-N 2.94Å; K133-V137 WeakPolarHBondContact O-CB 3.47Å; K133-V137 VanDerWaalsContact O-CG2 3.29Å; K133-V137 WeakPolarHBondContact O-CG2 3.29Å; K133-V137 PolarHBondContact O-N 2.89Å
134	V	98	Very high	96.8	Very high	3 Å²	3	37.6 Å²	37.6	2%	0.018	20%	0.201	C	C	.	.	H	α-helix	trans	-58.5	-42.8	171.4	169.6	0	0	0	0	110.8	V33 F87 L114 A130 I131 R132 V137 F138 M143	V33-V134 HydrophobicContact CB-CG2 3.86Å; V33-V134 HydrophobicContact CG1-CG2 4.37Å; V33-V134 HydrophobicContact CG2-CG2 3.68Å; F87-V134 HydrophobicContact CD1-CG2 3.79Å; F87-V134 HydrophobicContact CE1-CG2 3.83Å; L114-V134 HydrophobicContact CD1-CG1 4.49Å; A130-V134 WeakPolarHBondContact O-CG2 3.08Å; A130-V134 PolarHBondContact O-N 2.9Å; I131-V134 WeakPolarHBondContact O-CB 2.89Å; I131-V134 PolarHBondContact O-N 3.39Å; R132-V134 VanDerWaalsContact C-N 3.32Å; R132-V134 PolarHBondContact O-N 3.23Å; V134-V137 PolarHBondContact O-N 2.9Å; V134-F138 HydrophobicContact CG1-CD2 4.36Å; V134-F138 PolarHBondContact O-N 2.52Å; V134-M143 HydrophobicContact CG1-SD 4.24Å
135	K	97.8	Very high	97	Very high	35 Å²	35	35.6 Å²	35.6	15%	0.152	19%	0.189	C	C	.	.	H	α-helix	trans	-67.5	-39.8	176	-62	172.1	179.5	-180	0	112.2	I131 R132 K133 G139 T140 M143 E179 L260	I131-K135 PolarHBondContact O-N 3.24Å; R132-K135 WeakPolarHBondContact O-CA 3.09Å; R132-K135 WeakPolarHBondContact O-CB 3.18Å; R132-K135 PolarHBondContact O-N 2.85Å; K133-K135 VanDerWaalsContact C-N 3.29Å; K133-K135 PolarHBondContact O-N 3.26Å; K135-G139 CarbonylContact O-C 3.33Å; K135-G139 WeakPolarHBondContact O-CA 3.47Å; K135-G139 PolarHBondContact O-N 3.46Å; K135-T140 HydrophobicContact CB-CG2 4.36Å; K135-M143 HydrophobicContact CD-CG 4.44Å; K135-M143 HydrophobicContact CG-CG 4.04Å; K135-M143 HydrophobicContact CG-SD 4.01Å; K135-E179 WeakPolarHBondContact CE-OE1 3.47Å; K135-E179 IonicContact NZ-OE1 3.66Å; K135-E179 PolarHBondContact NZ-OE1 3.45Å; K135-E179 IonicContact NZ-OE2 3.23Å; K135-E179 PolarHBondContact NZ-OE2 3.26Å; K135-L260 HydrophobicContact CB-CD1 4.39Å; K135-L260 HydrophobicContact CB-CD2 4.03Å; K135-L260 HydrophobicContact CD-CD1 4.16Å
136	E	96.9	Very high	97.2	Very high	12 Å²	12	32 Å²	32	6%	0.056	16%	0.159	C	C	.	.	H	α-helix	trans	-66.6	-37.2	176.3	-67.4	178.1	-175.8	0	0	112.3	R132 K133 H256 K257 L260	R132-E136 HydrophobicContact CG-CG 4.49Å; R132-E136 IonicContact CZ-OE1 3.78Å; R132-E136 IonicContact NE-OE1 3.87Å; R132-E136 PolarHBondContact NE-OE1 3.24Å; R132-E136 IonicContact NH2-OE1 3.97Å; R132-E136 WeakPolarHBondContact O-CG 3.3Å; R132-E136 PolarHBondContact O-N 3.05Å; K133-E136 VanDerWaalsContact CD-OE2 3.32Å; K133-E136 WeakPolarHBondContact CD-OE2 3.5Å; K133-E136 WeakPolarHBondContact CE-OE2 3.43Å; K133-E136 IonicContact NZ-OE2 3.06Å; K133-E136 PolarHBondContact NZ-OE2 3.05Å; K133-E136 PolarHBondContact O-N 2.94Å; E136-H256 WeakPolarHBondContact O-CB 3.37Å; E136-H256 PolarHBondContact O-ND1 3.38Å; E136-K257 HydrophobicContact CB-CG 3.9Å; E136-K257 HydrophobicContact CG-CG 3.71Å; E136-L260 HydrophobicContact CG-CD2 3.87Å
137	V	97.2	Very high	97.3	Very high	3 Å²	3	26.2 Å²	26.2	2%	0.018	13%	0.132	C	C	.	.	H	α-helix	trans	-78.1	-55.7	-179.3	172.3	0	0	0	0	110.7	F87 I100 Y104 K133 V134 H256	F87-V137 HydrophobicContact CE1-CG2 4.43Å; I100-V137 HydrophobicContact CD1-CG2 3.9Å; I100-V137 HydrophobicContact CG1-CG1 4.42Å; I100-V137 HydrophobicContact CG1-CG2 4.13Å; I100-V137 HydrophobicContact CG2-CG1 3.8Å; Y104-V137 HydrophobicContact CE2-CG1 3.96Å; Y104-V137 PolarHBondContact OH-O 2.75Å; K133-V137 WeakPolarHBondContact O-CB 3.47Å; K133-V137 VanDerWaalsContact O-CG2 3.29Å; K133-V137 WeakPolarHBondContact O-CG2 3.29Å; K133-V137 PolarHBondContact O-N 2.89Å; V134-V137 PolarHBondContact O-N 2.9Å; V137-H256 PolarHBondContact O-CE1 3.16Å; V137-H256 PolarHBondContact O-ND1 2.79Å; V137-H256 VanDerWaalsContact O-ND1 3.07Å
138	F	98.1	Very high	97.5	Very high	1 Å²	1	26.1 Å²	26.1	0%	0.004	13%	0.131	C	C	.	.	H	α-helix	trans	-99.4	-6.6	-169.1	-64	-68.2	0	0	0	114.4	I31 V33 F87 Y104 L114 V134 A142 H219 N221 F224 H256	I31-F138 HydrophobicContact CD1-CE1 4.14Å; I31-F138 HydrophobicContact CD1-CZ 3.93Å; V33-F138 HydrophobicContact CG1-CE2 4.41Å; F87-F138 HydrophobicContact CE1-CE2 4.11Å; F87-F138 HydrophobicContact CZ-CE2 4.02Å; Y104-F138 HydrophobicContact CD2-CE1 4.1Å; Y104-F138 HydrophobicContact CE1-CD1 4.44Å; Y104-F138 AromaticContact CE2-CD1 3.77Å; Y104-F138 HydrophobicContact CE2-CD1 3.77Å; Y104-F138 AromaticContact CE2-CE1 3.67Å; Y104-F138 HydrophobicContact CE2-CE1 3.67Å; Y104-F138 AromaticContact CZ-CD1 3.69Å; Y104-F138 AromaticContact CZ-CE1 4Å; L114-F138 HydrophobicContact CD1-CD2 4.35Å; L114-F138 HydrophobicContact CD2-CD2 3.8Å; L114-F138 HydrophobicContact CD2-CE2 3.64Å; L114-F138 HydrophobicContact CD2-CG 4.44Å; L114-F138 HydrophobicContact CD2-CZ 4.18Å; V134-F138 HydrophobicContact CG1-CD2 4.36Å; V134-F138 PolarHBondContact O-N 2.52Å; F138-A142 HydrophobicContact CB-CB 3.57Å; F138-H219 PolarHBondContact O-CE1 2.8Å; F138-H219 VanDerWaalsContact O-CE1 3.24Å; F138-H219 PolarHBondContact O-NE2 3Å; F138-N221 PolarHBondContact O-ND2 3.17Å; F138-F224 HydrophobicContact CD1-CE2 4.32Å; F138-F224 HydrophobicContact CD1-CZ 4.2Å; F138-F224 HydrophobicContact CE1-CZ 4.1Å; F138-H256 VanDerWaalsContact C-CE1 3.5Å
139	G	97.9	Very high	97.6	Very high	5 Å²	5	23.3 Å²	23.3	5%	0.052	11%	0.114	C	C	.	.			trans	87.7	156.5	-172.1	0	0	0	0	0	112.1	K135 G141 A142 H256	K135-G139 CarbonylContact O-C 3.33Å; K135-G139 WeakPolarHBondContact O-CA 3.47Å; K135-G139 PolarHBondContact O-N 3.46Å; G139-G141 PolarHBondContact O-N 2.92Å; G139-A142 WeakPolarHBondContact O-CB 3.44Å; G139-A142 PolarHBondContact O-N 3.18Å; G139-A142 VanDerWaalsContact O-N 3.09Å; G139-H256 PolarHBondContact N-CE1 2.86Å; G139-H256 PolarHBondContact N-ND1 3.37Å
140	T	96.8	Very high	97.7	Very high	57 Å²	57	21 Å²	21	35%	0.35	10%	0.1	S	C	.	.	G	3₁₀ helix	trans	-61.1	-31.6	-178.2	54.2	0	0	0	0	113.2	K135 A142 M143 L260	K135-T140 HydrophobicContact CB-CG2 4.36Å; T140-A142 PolarHBondContact O-N 3.43Å; T140-A142 VanDerWaalsContact O-N 3.13Å; T140-M143 WeakPolarHBondContact O-CG 3.38Å; T140-M143 PolarHBondContact O-N 3.32Å; T140-L260 HydrophobicContact CG2-CD1 3.91Å
141	G	96.2	Very high	97.7	Very high	25 Å²	25	21 Å²	21	26%	0.258	10%	0.1	S	C	.	.	G	3₁₀ helix	trans	-60.7	-20.1	176.5	0	0	0	0	0	114.4	G139 M143 R144	G139-G141 PolarHBondContact O-N 2.92Å; G141-M143 PolarHBondContact O-N 3.33Å; G141-R144 WeakPolarHBondContact O-CB 3.2Å; G141-R144 PolarHBondContact O-N 2.9Å; G141-R144 PolarHBondContact O-NE 3.06Å
142	A	97.7	Very high	97.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-63.1	-27.7	178.5	0	0	0	0	0	112.9	L114 F138 G139 T140 R144 H145	L114-A142 HydrophobicContact CD1-CB 3.64Å; F138-A142 HydrophobicContact CB-CB 3.57Å; G139-A142 WeakPolarHBondContact O-CB 3.44Å; G139-A142 PolarHBondContact O-N 3.18Å; G139-A142 VanDerWaalsContact O-N 3.09Å; T140-A142 PolarHBondContact O-N 3.43Å; T140-A142 VanDerWaalsContact O-N 3.13Å; A142-R144 PolarHBondContact O-N 2.84Å; A142-R144 VanDerWaalsContact O-N 3.1Å; A142-H145 PolarHBondContact O-N 3.22Å
143	M	97.9	Very high	97.6	Very high	8 Å²	8	20.7 Å²	20.7	4%	0.039	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-60.1	-24.5	180	-62.7	-55.2	-59.3	0	0	113.3	I131 V134 K135 T140 G141 H145 V146 L176 E179	I131-M143 HydrophobicContact CG2-CE 4.13Å; V134-M143 HydrophobicContact CG1-SD 4.24Å; K135-M143 HydrophobicContact CD-CG 4.44Å; K135-M143 HydrophobicContact CG-CG 4.04Å; K135-M143 HydrophobicContact CG-SD 4.01Å; T140-M143 WeakPolarHBondContact O-CG 3.38Å; T140-M143 PolarHBondContact O-N 3.32Å; G141-M143 PolarHBondContact O-N 3.33Å; M143-H145 PolarHBondContact O-N 2.99Å; M143-V146 HydrophobicContact CE-CB 4.43Å; M143-V146 HydrophobicContact CE-CG2 4.18Å; M143-V146 PolarHBondContact O-N 3.39Å; M143-V146 HydrophobicContact SD-CG2 4Å; M143-L176 HydrophobicContact CE-CD1 4.05Å; M143-E179 HydrophobicContact CB-CG 4.27Å; M143-E179 HydrophobicContact CE-CG 4.27Å; M143-E179 WeakPolarHBondContact CG-OE1 3.3Å
144	R	97.3	Very high	97.6	Very high	138 Å²	138	23 Å²	23	52%	0.521	11%	0.113	S	C	.	.	G	3₁₀ helix	trans	-66.6	-17.8	174.6	-66.8	-173.8	-62.4	-175.7	2.8	113.9	G141 A142 R183 L210 R214	G141-R144 WeakPolarHBondContact O-CB 3.2Å; G141-R144 PolarHBondContact O-N 2.9Å; G141-R144 PolarHBondContact O-NE 3.06Å; A142-R144 PolarHBondContact O-N 2.84Å; A142-R144 VanDerWaalsContact O-N 3.1Å; R144-R183 PolarHBondContact O-NH2 3.18Å; R144-L210 VanDerWaalsContact O-CD1 3.28Å; R144-L210 WeakPolarHBondContact O-CD1 3.4Å; R144-R214 PolarHBondContact O-NE 3.39Å; R144-R214 PolarHBondContact O-NH2 2.88Å; R144-R214 VanDerWaalsContact O-NH2 3.16Å
145	H	98.3	Very high	97.5	Very high	8 Å²	8	27.8 Å²	27.8	4%	0.037	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-110.2	8.3	177.8	-64.1	-92.6	0	0	0	112.4	H112 V113 L114 A142 M143 H219	H112-H145 PolarHBondContact O-ND1 3.14Å; V113-H145 WeakPolarHBondContact CA-O 3.06Å; L114-H145 PolarHBondContact N-O 2.99Å; A142-H145 PolarHBondContact O-N 3.22Å; M143-H145 PolarHBondContact O-N 2.99Å; H145-H219 HydrophobicContact CB-CB 4.25Å
146	V	98.6	Very high	97.4	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.012	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	135.6	178.2	174.5	0	0	0	0	110.7	L114 L116 M143 C180 R183	L114-V146 HydrophobicContact CB-CG2 3.8Å; L114-V146 HydrophobicContact CD1-CG2 4.35Å; L114-V146 VanDerWaalsContact O-CA 3.26Å; L114-V146 WeakPolarHBondContact O-CA 3.39Å; L116-V146 HydrophobicContact CB-CG1 3.81Å; L116-V146 HydrophobicContact CD2-CG1 4.41Å; M143-V146 HydrophobicContact CE-CB 4.43Å; M143-V146 HydrophobicContact CE-CG2 4.18Å; M143-V146 PolarHBondContact O-N 3.39Å; M143-V146 HydrophobicContact SD-CG2 4Å; V146-C180 VanDerWaalsContact CG1-SG 3.53Å; V146-R183 PolarHBondContact O-NE 3.32Å; V146-R183 VanDerWaalsContact O-NE 3.07Å
147	V	98.8	Very high	97.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	130.4	164.7	176.9	0	0	0	0	107.1	V113 L114 L115 L116 R183 L203 V206 L210	V113-V147 HydrophobicContact CG1-CB 4.07Å; V113-V147 HydrophobicContact CG1-CG2 3.79Å; L114-V147 PolarHBondContact O-N 2.85Å; L115-V147 WeakPolarHBondContact CA-O 3.29Å; L115-V147 HydrophobicContact CD1-CB 3.81Å; L115-V147 HydrophobicContact CD1-CG1 3.84Å; L116-V147 PolarHBondContact N-O 2.67Å; V147-R183 HydrophobicContact CG2-CB 4.2Å; V147-L203 HydrophobicContact CG1-CD1 4.33Å; V147-V206 HydrophobicContact CG1-CG1 3.73Å; V147-V206 HydrophobicContact CG2-CG1 4.01Å; V147-L210 HydrophobicContact CG2-CD2 4.06Å
148	I	98.6	Very high	96.8	Very high	0 Å²	0	34 Å²	34	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	127.2	177.2	-51.9	164.8	0	0	0	108.4	I118 F150 L176 V177 C180 R183 Y184 C185	I118-I148 HydrophobicContact CD1-CG2 3.87Å; I118-I148 HydrophobicContact CG1-CG2 4.4Å; I148-F150 HydrophobicContact CG2-CD2 4.25Å; I148-F150 HydrophobicContact CG2-CE1 4.23Å; I148-F150 HydrophobicContact CG2-CE2 3.79Å; I148-F150 HydrophobicContact CG2-CZ 3.78Å; I148-L176 HydrophobicContact CD1-CD2 3.9Å; I148-L176 HydrophobicContact CD1-CG 3.75Å; I148-L176 HydrophobicContact CG1-CD2 4.31Å; I148-L176 HydrophobicContact CG1-CG 4.38Å; I148-V177 HydrophobicContact CD1-CG2 3.9Å; I148-C180 HydrophobicContact CD1-CB 4.07Å; I148-C180 HydrophobicContact CG1-CB 4.21Å; I148-R183 PolarHBondContact N-O 3.02Å; I148-Y184 CarbonylContact O-C 3.55Å; I148-Y184 WeakPolarHBondContact O-CA 3.49Å; I148-Y184 WeakPolarHBondContact O-CB 3.42Å; I148-C185 PolarHBondContact O-N 3.3Å
149	L	98.7	Very high	96.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	115	173.9	-175.8	152.3	0	0	0	109.4	T43 L115 L116 V117 I118 T151 C185 F187 L203	T43-L149 HydrophobicContact CG2-CD1 3.57Å; T43-L149 HydrophobicContact CG2-CD2 3.71Å; T43-L149 HydrophobicContact CG2-CG 4.29Å; L115-L149 HydrophobicContact CD1-CB 3.88Å; L115-L149 HydrophobicContact CD1-CD1 4.22Å; L115-L149 HydrophobicContact CD2-CB 4.34Å; L115-L149 HydrophobicContact CD2-CD1 3.6Å; L115-L149 HydrophobicContact CG-CB 3.87Å; L115-L149 HydrophobicContact CG-CD1 4.06Å; L116-L149 PolarHBondContact O-N 2.9Å; V117-L149 WeakPolarHBondContact CA-O 3.37Å; V117-L149 HydrophobicContact CG1-CD2 4.32Å; I118-L149 PolarHBondContact N-O 3.43Å; L149-T151 HydrophobicContact CD2-CG2 3.82Å; L149-C185 WeakPolarHBondContact CA-O 3.32Å; L149-F187 HydrophobicContact CD1-CD1 3.73Å; L149-F187 HydrophobicContact CD1-CD2 4.1Å; L149-F187 HydrophobicContact CD1-CE1 3.92Å; L149-F187 HydrophobicContact CD1-CE2 4.26Å; L149-F187 HydrophobicContact CD1-CG 3.86Å; L149-F187 HydrophobicContact CD1-CZ 4.19Å; L149-F187 HydrophobicContact CD2-CB 4.04Å; L149-F187 HydrophobicContact CD2-CG 4.25Å; L149-F187 HydrophobicContact CG-CB 4.48Å; L149-F187 HydrophobicContact CG-CD1 4.17Å; L149-F187 HydrophobicContact CG-CG 4.28Å; L149-L203 HydrophobicContact CD1-CD2 4.47Å
150	F	98.4	Very high	96.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	122	173.4	-64.3	-79.6	0	0	0	110.2	I118 L120 I148 L161 Y164 V165 L173 Y184 C185 A186 F187	I118-F150 HydrophobicContact CB-CD1 4.26Å; I118-F150 HydrophobicContact CB-CE1 4.41Å; I118-F150 HydrophobicContact CG2-CD1 4.31Å; I118-F150 HydrophobicContact CG2-CE1 4.27Å; I118-F150 CarbonylContact O-C 3.52Å; I118-F150 VanDerWaalsContact O-CA 3.24Å; I118-F150 WeakPolarHBondContact O-CA 3.31Å; L120-F150 HydrophobicContact CB-CB 4.29Å; L120-F150 HydrophobicContact CD1-CB 3.84Å; L120-F150 HydrophobicContact CD1-CD1 4.05Å; L120-F150 HydrophobicContact CD1-CG 3.95Å; I148-F150 HydrophobicContact CG2-CD2 4.25Å; I148-F150 HydrophobicContact CG2-CE1 4.23Å; I148-F150 HydrophobicContact CG2-CE2 3.79Å; I148-F150 HydrophobicContact CG2-CZ 3.78Å; F150-L161 HydrophobicContact CD2-CD1 3.85Å; F150-L161 HydrophobicContact CD2-CD2 4.4Å; F150-L161 HydrophobicContact CE2-CD1 4.34Å; F150-L161 HydrophobicContact CG-CD1 4.41Å; F150-Y164 HydrophobicContact CD1-CE1 4.45Å; F150-Y164 HydrophobicContact CE1-CE1 4.08Å; F150-Y164 HydrophobicContact CZ-CE1 4.29Å; F150-V165 HydrophobicContact CE2-CG2 4.09Å; F150-V165 HydrophobicContact CZ-CG2 4.41Å; F150-L173 HydrophobicContact CE1-CD1 4.22Å; F150-L173 HydrophobicContact CZ-CD1 4.04Å; F150-Y184 HydrophobicContact CE2-CG 4.49Å; F150-C185 PolarHBondContact N-O 3.27Å; F150-A186 HydrophobicContact CB-CB 4.14Å; F150-A186 CarbonylContact O-C 3.6Å; F150-A186 WeakPolarHBondContact O-CA 3.11Å; F150-F187 PolarHBondContact O-N 3.18Å
151	T	97.4	Very high	96.5	Very high	0 Å²	0	39 Å²	39	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	164.9	169.1	63	0	0	0	0	110.4	C38 T43 V117 I118 Q119 L120 L149 F187	C38-T151 WeakPolarHBondContact O-CG2 3.34Å; C38-T151 PolarHBondContact O-OG1 3.3Å; C38-T151 VanDerWaalsContact O-OG1 3.08Å; T43-T151 WeakPolarHBondContact OG1-CG2 3.37Å; V117-T151 HydrophobicContact CG1-CG2 3.51Å; I118-T151 PolarHBondContact O-N 3.07Å; I118-T151 PolarHBondContact O-OG1 2.99Å; Q119-T151 WeakPolarHBondContact CA-OG1 3.46Å; L120-T151 WeakPolarHBondContact CB-O 3.47Å; L120-T151 PolarHBondContact N-O 3.13Å; L149-T151 HydrophobicContact CD2-CG2 3.82Å; T151-F187 CarbonylContact C-O 3.24Å; T151-F187 WeakPolarHBondContact CA-O 3.32Å
152	H	96.1	Very high	96.5	Very high	60 Å²	60	42 Å²	42	28%	0.278	25%	0.248	S	C	.	.			trans	67.1	44.6	-176.4	-52.3	70.8	0	0	0	112.2	L120 E154 D155 F187	L120-H152 WeakPolarHBondContact CD2-O 3.48Å; H152-E154 VanDerWaalsContact CA-CD 3.5Å; H152-E154 WeakPolarHBondContact CA-OE1 3.45Å; H152-E154 WeakPolarHBondContact CA-OE2 3.39Å; H152-E154 IonicContact CD2-OE1 3.65Å; H152-E154 IonicContact CG-OE1 2.83Å; H152-E154 PolarHBondContact O-N 3.38Å; H152-D155 WeakPolarHBondContact CB-OD2 3.38Å; H152-D155 WeakPolarHBondContact O-CB 3.45Å; H152-D155 PolarHBondContact O-N 2.97Å; H152-F187 PolarHBondContact N-O 3.08Å; H152-F187 VanDerWaalsContact N-O 3.11Å
153	K	96.8	Very high	96.5	Very high	51 Å²	51	45.6 Å²	45.6	22%	0.222	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-55.6	-31.2	177.8	-178.3	-173.8	-173.1	164	0	112.4	D155 L156 A186 F187 N188 E202	K153-D155 PolarHBondContact O-N 2.89Å; K153-L156 HydrophobicContact CG-CD1 4.06Å; K153-L156 VanDerWaalsContact O-CB 3.29Å; K153-L156 WeakPolarHBondContact O-CB 3.41Å; K153-L156 WeakPolarHBondContact O-CG 3.36Å; K153-L156 PolarHBondContact O-N 3.14Å; K153-A186 HydrophobicContact CB-CB 3.94Å; K153-A186 HydrophobicContact CD-CB 4.2Å; K153-A186 HydrophobicContact CG-CB 3.82Å; K153-F187 VanDerWaalsContact CB-C 3.45Å; K153-F187 PolarHBondContact N-O 2.92Å; K153-N188 HydrophobicContact CB-CB 4.06Å; K153-E202 IonicContact NZ-OE2 2.75Å; K153-E202 PolarHBondContact NZ-OE2 2.83Å
154	E	95.6	Very high	96.4	Very high	75 Å²	75	47.2 Å²	47.2	35%	0.35	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-55.2	-28.8	175.8	63.8	-81.8	-167.3	0	0	113.1	H152 L156 G157 N188	H152-E154 VanDerWaalsContact CA-CD 3.5Å; H152-E154 WeakPolarHBondContact CA-OE1 3.45Å; H152-E154 WeakPolarHBondContact CA-OE2 3.39Å; H152-E154 IonicContact CD2-OE1 3.65Å; H152-E154 IonicContact CG-OE1 2.83Å; H152-E154 PolarHBondContact O-N 3.38Å; E154-L156 PolarHBondContact O-N 3.3Å; E154-G157 PolarHBondContact O-N 2.88Å; E154-N188 WeakPolarHBondContact OE2-CA 3.48Å; E154-N188 WeakPolarHBondContact OE2-CB 3.39Å; E154-N188 VanDerWaalsContact OE2-CG 3.29Å; E154-N188 PolarHBondContact OE2-OD1 3.25Å
155	D	96.1	Very high	96.3	Very high	103 Å²	103	41 Å²	41	55%	0.551	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-71	-9.2	177.9	-66.8	-17.3	0	0	0	112.9	L120 H152 K153 G157	L120-D155 HydrophobicContact CD2-CB 4.2Å; H152-D155 WeakPolarHBondContact CB-OD2 3.38Å; H152-D155 WeakPolarHBondContact O-CB 3.45Å; H152-D155 PolarHBondContact O-N 2.97Å; K153-D155 PolarHBondContact O-N 2.89Å; D155-G157 PolarHBondContact O-N 3.47Å
156	L	95.2	Very high	96.2	Very high	23 Å²	23	43.4 Å²	43.4	12%	0.12	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-66.8	-20.7	170.3	-73.3	171	0	0	0	112.6	L120 K153 E154 G158 Q159 L161	L120-L156 HydrophobicContact CD1-CD2 4.36Å; L120-L156 HydrophobicContact CD2-CB 4.48Å; L120-L156 HydrophobicContact CD2-CD1 4.49Å; L120-L156 HydrophobicContact CD2-CD2 3.72Å; L120-L156 HydrophobicContact CD2-CG 3.54Å; K153-L156 HydrophobicContact CG-CD1 4.06Å; K153-L156 VanDerWaalsContact O-CB 3.29Å; K153-L156 WeakPolarHBondContact O-CB 3.41Å; K153-L156 WeakPolarHBondContact O-CG 3.36Å; K153-L156 PolarHBondContact O-N 3.14Å; E154-L156 PolarHBondContact O-N 3.3Å; L156-G158 PolarHBondContact O-N 3.4Å; L156-Q159 WeakPolarHBondContact O-CB 3.49Å; L156-Q159 PolarHBondContact O-N 3.04Å; L156-L161 HydrophobicContact CD1-CB 4.19Å
157	G	91.5	Very high	96	Very high	76 Å²	76	49.3 Å²	49.3	78%	0.784	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	26.3	179.5	0	0	0	0	0	114.4	E154 D155	E154-G157 PolarHBondContact O-N 2.88Å; D155-G157 PolarHBondContact O-N 3.47Å
158	G	90.1	Very high	95.8	Very high	83 Å²	83	49.9 Å²	49.9	86%	0.856	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.7	-6.2	-175.7	0	0	0	0	0	115.3	L156	L156-G158 PolarHBondContact O-N 3.4Å
159	Q	94.2	Very high	95.6	Very high	99 Å²	99	56.9 Å²	56.9	46%	0.463	35%	0.345	S	S	.	.			trans	-65.3	146.5	170.8	-171.3	-178.7	-51	0	0	111	L156 D163	L156-Q159 WeakPolarHBondContact O-CB 3.49Å; L156-Q159 PolarHBondContact O-N 3.04Å; Q159-D163 HydrophobicContact CG-CB 3.95Å
160	A	95.6	Very high	95.4	Very high	49 Å²	49	59.1 Å²	59.1	41%	0.405	36%	0.356	S	S	.	.			trans	-68.5	140.5	173	0	0	0	0	0	111	D162 D163 Y164	A160-D162 PolarHBondContact O-N 3.39Å; A160-D163 WeakPolarHBondContact O-CB 3.49Å; A160-D163 PolarHBondContact O-N 3Å; A160-D163 VanDerWaalsContact O-N 3.09Å; A160-Y164 PolarHBondContact O-N 3.49Å
161	L	97	Very high	95.3	Very high	18 Å²	18	63.2 Å²	63.2	9%	0.094	38%	0.384	C	S	.	.	H	α-helix	trans	-58.3	-36.1	175.2	178.8	62.1	0	0	0	111.8	L120 F150 L156 D163 Y164 V165 Y184 C185 A186	L120-L161 HydrophobicContact CD1-CD1 4.01Å; F150-L161 HydrophobicContact CD2-CD1 3.85Å; F150-L161 HydrophobicContact CD2-CD2 4.4Å; F150-L161 HydrophobicContact CE2-CD1 4.34Å; F150-L161 HydrophobicContact CG-CD1 4.41Å; L156-L161 HydrophobicContact CD1-CB 4.19Å; L161-D163 VanDerWaalsContact C-N 3.29Å; L161-D163 PolarHBondContact O-N 3.46Å; L161-Y164 HydrophobicContact CD1-CD1 4.16Å; L161-Y164 WeakPolarHBondContact O-CB 3.13Å; L161-Y164 PolarHBondContact O-N 3Å; L161-V165 HydrophobicContact CD1-CG2 4.36Å; L161-V165 HydrophobicContact CG-CG2 4.46Å; L161-V165 WeakPolarHBondContact O-CG2 3.5Å; L161-V165 PolarHBondContact O-N 2.89Å; L161-Y184 HydrophobicContact CD2-CD2 3.67Å; L161-Y184 HydrophobicContact CD2-CE2 4.2Å; L161-Y184 HydrophobicContact CG-CD2 4.04Å; L161-Y184 HydrophobicContact CG-CE2 4.19Å; L161-C185 VanDerWaalsContact CD2-C 3.48Å; L161-A186 HydrophobicContact CD1-CB 4.14Å; L161-A186 HydrophobicContact CD2-CB 3.72Å; L161-A186 HydrophobicContact CG-CB 4.44Å
162	D	97.1	Very high	95.2	Very high	88 Å²	88	66 Å²	66	47%	0.471	40%	0.404	S	S	.	.	H	α-helix	trans	-59.8	-38.7	176.6	-78.1	-24.7	0	0	0	112.4	A160 V165 A166 Y184	A160-D162 PolarHBondContact O-N 3.39Å; D162-V165 PolarHBondContact O-N 3.37Å; D162-A166 WeakPolarHBondContact O-CB 3.16Å; D162-A166 PolarHBondContact O-N 3.47Å; D162-Y184 WeakPolarHBondContact OD1-CE2 3.37Å; D162-Y184 VanDerWaalsContact OD1-CZ 3.24Å; D162-Y184 PolarHBondContact OD1-OH 3.36Å
163	D	96.6	Very high	95.2	Very high	77 Å²	77	63.2 Å²	63.2	41%	0.412	39%	0.391	S	S	.	.	H	α-helix	trans	-67.8	-38.8	177.2	-64.6	-30.6	0	0	0	111	Q159 A160 L161 N167	Q159-D163 HydrophobicContact CG-CB 3.95Å; A160-D163 WeakPolarHBondContact O-CB 3.49Å; A160-D163 PolarHBondContact O-N 3Å; A160-D163 VanDerWaalsContact O-N 3.09Å; L161-D163 VanDerWaalsContact C-N 3.29Å; L161-D163 PolarHBondContact O-N 3.46Å; D163-N167 VanDerWaalsContact O-CB 3.23Å; D163-N167 WeakPolarHBondContact O-CB 3.46Å; D163-N167 PolarHBondContact O-N 3.33Å; D163-N167 PolarHBondContact O-ND2 3.22Å
164	Y	95.8	Very high	95.2	Very high	41 Å²	41	65.3 Å²	65.3	16%	0.161	40%	0.4	C	S	.	.	H	α-helix	trans	-61.5	-47.8	174.7	167.7	-101	0	0	0	111	L120 G121 F150 A160 L161 T168 L173	L120-Y164 HydrophobicContact CD1-CD1 3.64Å; L120-Y164 HydrophobicContact CD1-CE1 3.56Å; L120-Y164 HydrophobicContact CD1-CG 4.16Å; G121-Y164 WeakPolarHBondContact CA-OH 3.24Å; G121-Y164 PolarHBondContact N-OH 3.49Å; G121-Y164 VanDerWaalsContact N-OH 3.13Å; F150-Y164 HydrophobicContact CD1-CE1 4.45Å; F150-Y164 HydrophobicContact CE1-CE1 4.08Å; F150-Y164 HydrophobicContact CZ-CE1 4.29Å; A160-Y164 PolarHBondContact O-N 3.49Å; L161-Y164 HydrophobicContact CD1-CD1 4.16Å; L161-Y164 WeakPolarHBondContact O-CB 3.13Å; L161-Y164 PolarHBondContact O-N 3Å; Y164-T168 PolarHBondContact O-N 2.97Å; Y164-T168 VanDerWaalsContact O-N 3.08Å; Y164-L173 HydrophobicContact CE1-CD2 4.2Å
165	V	96.6	Very high	95.3	Very high	8 Å²	8	65.2 Å²	65.2	5%	0.048	40%	0.402	C	S	.	.	H	α-helix	trans	-67.9	-38.6	-179.1	172.3	0	0	0	0	111.9	F150 L161 D162 T168 V177 Y184	F150-V165 HydrophobicContact CE2-CG2 4.09Å; F150-V165 HydrophobicContact CZ-CG2 4.41Å; L161-V165 HydrophobicContact CD1-CG2 4.36Å; L161-V165 HydrophobicContact CG-CG2 4.46Å; L161-V165 WeakPolarHBondContact O-CG2 3.5Å; L161-V165 PolarHBondContact O-N 2.89Å; D162-V165 PolarHBondContact O-N 3.37Å; V165-T168 WeakPolarHBondContact O-CG2 3.37Å; V165-V177 HydrophobicContact CG1-CB 4.28Å; V165-V177 HydrophobicContact CG1-CG1 3.65Å; V165-V177 HydrophobicContact CG1-CG2 3.82Å; V165-Y184 HydrophobicContact CB-CE1 4.4Å; V165-Y184 HydrophobicContact CB-CE2 4.49Å; V165-Y184 HydrophobicContact CG1-CD1 4.41Å; V165-Y184 HydrophobicContact CG1-CE1 3.79Å; V165-Y184 HydrophobicContact CG2-CD1 4.5Å; V165-Y184 HydrophobicContact CG2-CD2 4.23Å; V165-Y184 HydrophobicContact CG2-CE1 4.33Å; V165-Y184 HydrophobicContact CG2-CE2 4.05Å; V165-Y184 HydrophobicContact CG2-CG 4.46Å
166	A	95.3	Very high	95.3	Very high	59 Å²	59	60.6 Å²	60.6	49%	0.488	38%	0.377	S	S	.	.	H	α-helix	trans	-70.2	-39.9	179.4	0	0	0	0	0	112.5	D162	D162-A166 WeakPolarHBondContact O-CB 3.16Å; D162-A166 PolarHBondContact O-N 3.47Å
167	N	95.1	Very high	95.5	Very high	125 Å²	125	59.9 Å²	59.9	67%	0.668	37%	0.374	S	S	*	.	H	α-helix	trans	-96.9	1.8	-172.6	-61.4	-53.3	0	0	0	114.3	D163 D169	D163-N167 VanDerWaalsContact O-CB 3.23Å; D163-N167 WeakPolarHBondContact O-CB 3.46Å; D163-N167 PolarHBondContact O-N 3.33Å; D163-N167 PolarHBondContact O-ND2 3.22Å; N167-D169 PolarHBondContact O-N 3.46Å
168	T	94.2	Very high	95.7	Very high	13 Å²	13	64.8 Å²	64.8	8%	0.08	37%	0.368	C	S	.	.			trans	-55.5	141.9	175.9	-171	0	0	0	0	111.1	Y164 V165 N170 L173 K174	Y164-T168 PolarHBondContact O-N 2.97Å; Y164-T168 VanDerWaalsContact O-N 3.08Å; V165-T168 WeakPolarHBondContact O-CG2 3.37Å; T168-N170 PolarHBondContact OG1-N 2.93Å; T168-L173 HydrophobicContact CG2-CD2 4.26Å; T168-L173 HydrophobicContact CG2-CG 4.46Å; T168-K174 HydrophobicContact CG2-CD 4.45Å; T168-K174 HydrophobicContact CG2-CG 3.68Å; T168-K174 WeakPolarHBondContact O-CE 3.29Å; T168-K174 PolarHBondContact O-NZ 3.07Å
169	D	93.8	Very high	96	Very high	147 Å²	147	64.5 Å²	64.5	79%	0.786	35%	0.345	S	S	*	.			trans	-88.6	-10.1	171.7	61.7	-19.1	0	0	0	112.1	N167 C171	N167-D169 PolarHBondContact O-N 3.46Å; D169-C171 PolarHBondContact O-N 3.2Å
170	N	95.8	Very high	96.2	Very high	46 Å²	46	59.8 Å²	59.8	25%	0.246	32%	0.323	C	S	.	.			trans	-78.8	104.8	-176.7	-169.2	-55.3	0	0	0	111.8	F123 T168 S172 L173 K174	F123-N170 PolarHBondContact O-ND2 3.41Å; T168-N170 PolarHBondContact OG1-N 2.93Å; N170-S172 VanDerWaalsContact C-N 3.31Å; N170-S172 PolarHBondContact O-N 3.07Å; N170-S172 WeakPolarHBondContact OD1-CB 3.2Å; N170-S172 PolarHBondContact OD1-N 3.02Å; N170-S172 VanDerWaalsContact OD1-N 3.09Å; N170-L173 HydrophobicContact CB-CB 3.96Å; N170-L173 PolarHBondContact O-N 3.4Å; N170-L173 PolarHBondContact OD1-N 3.41Å; N170-K174 PolarHBondContact O-N 3.44Å
171	C	94.9	Very high	96.2	Very high	86 Å²	86	61.2 Å²	61.2	58%	0.581	32%	0.321	S	S	*	.	H	α-helix	trans	-58	-39.8	179	-65.6	0	0	0	0	113.2	D169 L173 K174 D175	D169-C171 PolarHBondContact O-N 3.2Å; C171-L173 PolarHBondContact O-N 3.33Å; C171-K174 WeakPolarHBondContact O-CB 3.44Å; C171-K174 PolarHBondContact O-N 2.92Å; C171-D175 PolarHBondContact O-N 3.34Å
172	S	95.6	Very high	96.2	Very high	59 Å²	59	66.7 Å²	66.7	41%	0.413	34%	0.341	S	S	.	.	H	α-helix	trans	-66.6	-37.3	-179.9	-56.5	0	0	0	0	112.2	F123 N170 D175 L176	F123-S172 VanDerWaalsContact CE1-CB 3.46Å; N170-S172 VanDerWaalsContact C-N 3.31Å; N170-S172 PolarHBondContact O-N 3.07Å; N170-S172 WeakPolarHBondContact OD1-CB 3.2Å; N170-S172 PolarHBondContact OD1-N 3.02Å; N170-S172 VanDerWaalsContact OD1-N 3.09Å; S172-D175 PolarHBondContact O-N 3.34Å; S172-L176 WeakPolarHBondContact O-CB 3.46Å; S172-L176 PolarHBondContact O-N 3.39Å
173	L	97.2	Very high	96.3	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.005	32%	0.318	C	S	.	.	H	α-helix	trans	-66.4	-41.9	172.6	-178.3	57.1	0	0	0	111.4	F123 F150 Y164 T168 N170 C171 D175 L176 V177	F123-L173 HydrophobicContact CB-CB 4.35Å; F123-L173 HydrophobicContact CB-CD2 4.44Å; F123-L173 HydrophobicContact CD1-CB 4.26Å; F123-L173 HydrophobicContact CD2-CB 4.22Å; F123-L173 HydrophobicContact CD2-CD1 3.79Å; F123-L173 HydrophobicContact CD2-CG 4.49Å; F123-L173 HydrophobicContact CE2-CD1 4.14Å; F123-L173 HydrophobicContact CG-CB 4Å; F123-L173 HydrophobicContact CG-CD1 4.36Å; F150-L173 HydrophobicContact CE1-CD1 4.22Å; F150-L173 HydrophobicContact CZ-CD1 4.04Å; Y164-L173 HydrophobicContact CE1-CD2 4.2Å; T168-L173 HydrophobicContact CG2-CD2 4.26Å; T168-L173 HydrophobicContact CG2-CG 4.46Å; N170-L173 HydrophobicContact CB-CB 3.96Å; N170-L173 PolarHBondContact O-N 3.4Å; N170-L173 PolarHBondContact OD1-N 3.41Å; C171-L173 PolarHBondContact O-N 3.33Å; L173-D175 VanDerWaalsContact C-N 3.33Å; L173-D175 PolarHBondContact O-N 2.79Å; L173-L176 HydrophobicContact CD1-CD2 4.33Å; L173-L176 PolarHBondContact O-N 2.88Å; L173-V177 HydrophobicContact CD1-CG2 4.23Å; L173-V177 HydrophobicContact CG-CG2 4.5Å; L173-V177 WeakPolarHBondContact O-CB 3.46Å; L173-V177 VanDerWaalsContact O-CG2 3.3Å; L173-V177 WeakPolarHBondContact O-CG2 3.48Å; L173-V177 PolarHBondContact O-N 3.09Å
174	K	96.8	Very high	96.4	Very high	95 Å²	95	59.8 Å²	59.8	41%	0.413	30%	0.302	S	S	.	.	H	α-helix	trans	-58.5	-45.4	174.3	-71.6	-179.1	177.8	165.1	0	111.8	T168 N170 C171 V177 R178	T168-K174 HydrophobicContact CG2-CD 4.45Å; T168-K174 HydrophobicContact CG2-CG 3.68Å; T168-K174 WeakPolarHBondContact O-CE 3.29Å; T168-K174 PolarHBondContact O-NZ 3.07Å; N170-K174 PolarHBondContact O-N 3.44Å; C171-K174 WeakPolarHBondContact O-CB 3.44Å; C171-K174 PolarHBondContact O-N 2.92Å; K174-V177 PolarHBondContact O-N 3.14Å; K174-R178 WeakPolarHBondContact O-CB 3.22Å; K174-R178 PolarHBondContact O-N 2.67Å
175	D	95.9	Very high	96.5	Very high	74 Å²	74	57.9 Å²	57.9	40%	0.396	30%	0.295	S	S	.	.	H	α-helix	trans	-63.8	-42.8	179.3	-74.2	-29	0	0	0	111.4	C171 S172 L173 R178 E179	C171-D175 PolarHBondContact O-N 3.34Å; S172-D175 PolarHBondContact O-N 3.34Å; L173-D175 VanDerWaalsContact C-N 3.33Å; L173-D175 PolarHBondContact O-N 2.79Å; D175-R178 PolarHBondContact O-N 2.78Å; D175-R178 IonicContact OD1-CZ 3Å; D175-R178 IonicContact OD1-NH1 3.71Å; D175-R178 IonicContact OD1-NH2 3.24Å; D175-R178 PolarHBondContact OD1-NH2 2.91Å; D175-E179 WeakPolarHBondContact O-CB 3.44Å; D175-E179 PolarHBondContact O-N 3.24Å
176	L	97.7	Very high	96.5	Very high	6 Å²	6	57.5 Å²	57.5	3%	0.031	29%	0.292	C	S	.	.	H	α-helix	trans	-60.8	-48.8	174.4	174.7	66.9	0	0	0	111.8	L116 I118 F123 I131 M143 I148 S172 L173 R178 E179 C180	L116-L176 HydrophobicContact CD2-CD1 3.95Å; L116-L176 HydrophobicContact CD2-CD2 3.84Å; L116-L176 HydrophobicContact CD2-CG 4.46Å; I118-L176 HydrophobicContact CD1-CD2 3.73Å; F123-L176 HydrophobicContact CE2-CD2 3.81Å; F123-L176 HydrophobicContact CZ-CD2 4.37Å; I131-L176 HydrophobicContact CD1-CD1 3.84Å; I131-L176 HydrophobicContact CD1-CD2 3.64Å; I131-L176 HydrophobicContact CD1-CG 4.2Å; I131-L176 HydrophobicContact CG1-CD1 4.07Å; I131-L176 HydrophobicContact CG1-CD2 4.43Å; I131-L176 HydrophobicContact CG2-CD1 4.17Å; M143-L176 HydrophobicContact CE-CD1 4.05Å; I148-L176 HydrophobicContact CD1-CD2 3.9Å; I148-L176 HydrophobicContact CD1-CG 3.75Å; I148-L176 HydrophobicContact CG1-CD2 4.31Å; I148-L176 HydrophobicContact CG1-CG 4.38Å; S172-L176 WeakPolarHBondContact O-CB 3.46Å; S172-L176 PolarHBondContact O-N 3.39Å; L173-L176 HydrophobicContact CD1-CD2 4.33Å; L173-L176 PolarHBondContact O-N 2.88Å; L176-R178 PolarHBondContact O-N 3.1Å; L176-E179 PolarHBondContact O-N 3.49Å; L176-E179 VanDerWaalsContact O-N 3.14Å; L176-C180 WeakPolarHBondContact O-CB 3.47Å; L176-C180 PolarHBondContact O-N 3.24Å
177	V	97.8	Very high	96.6	Very high	8 Å²	8	54.7 Å²	54.7	5%	0.048	27%	0.269	C	S	.	.	H	α-helix	trans	-59.3	-39	179.2	166.9	0	0	0	0	110.8	I148 V165 L173 K174 E181 R182 Y184	I148-V177 HydrophobicContact CD1-CG2 3.9Å; V165-V177 HydrophobicContact CG1-CB 4.28Å; V165-V177 HydrophobicContact CG1-CG1 3.65Å; V165-V177 HydrophobicContact CG1-CG2 3.82Å; L173-V177 HydrophobicContact CD1-CG2 4.23Å; L173-V177 HydrophobicContact CG-CG2 4.5Å; L173-V177 WeakPolarHBondContact O-CB 3.46Å; L173-V177 VanDerWaalsContact O-CG2 3.3Å; L173-V177 WeakPolarHBondContact O-CG2 3.48Å; L173-V177 PolarHBondContact O-N 3.09Å; K174-V177 PolarHBondContact O-N 3.14Å; V177-E181 PolarHBondContact O-N 2.99Å; V177-R182 HydrophobicContact CG1-CG 4.11Å; V177-R182 PolarHBondContact O-N 3.26Å; V177-Y184 HydrophobicContact CG1-CD1 4.15Å; V177-Y184 HydrophobicContact CG1-CE1 3.93Å
178	R	97.3	Very high	96.7	Very high	178 Å²	178	49.7 Å²	49.7	67%	0.672	24%	0.242	S	C	*	.	H	α-helix	trans	-67.8	-44.7	174.6	-174.9	-179.6	62.3	-155.7	-10.5	111.8	K174 D175 L176 C180 E181	K174-R178 WeakPolarHBondContact O-CB 3.22Å; K174-R178 PolarHBondContact O-N 2.67Å; D175-R178 PolarHBondContact O-N 2.78Å; D175-R178 IonicContact OD1-CZ 3Å; D175-R178 IonicContact OD1-NH1 3.71Å; D175-R178 IonicContact OD1-NH2 3.24Å; D175-R178 PolarHBondContact OD1-NH2 2.91Å; L176-R178 PolarHBondContact O-N 3.1Å; R178-C180 VanDerWaalsContact C-N 3.29Å; R178-C180 PolarHBondContact O-N 3.32Å; R178-E181 PolarHBondContact O-N 3.24Å
179	E	96.8	Very high	96.8	Very high	77 Å²	77	50.8 Å²	50.8	36%	0.36	25%	0.248	S	C	.	.	H	α-helix	trans	-61.5	-37.5	177.7	-175.8	172.6	-168.2	0	0	111.8	K135 M143 D175 L176 E181	K135-E179 WeakPolarHBondContact CE-OE1 3.47Å; K135-E179 IonicContact NZ-OE1 3.66Å; K135-E179 PolarHBondContact NZ-OE1 3.45Å; K135-E179 IonicContact NZ-OE2 3.23Å; K135-E179 PolarHBondContact NZ-OE2 3.26Å; M143-E179 HydrophobicContact CB-CG 4.27Å; M143-E179 HydrophobicContact CE-CG 4.27Å; M143-E179 WeakPolarHBondContact CG-OE1 3.3Å; D175-E179 WeakPolarHBondContact O-CB 3.44Å; D175-E179 PolarHBondContact O-N 3.24Å; L176-E179 PolarHBondContact O-N 3.49Å; L176-E179 VanDerWaalsContact O-N 3.14Å; E179-E181 PolarHBondContact O-N 3.31Å
180	C	97.1	Very high	96.7	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	13.8	174	-62.8	0	0	0	0	113.5	V146 I148 L176 R178 R182 R183	V146-C180 VanDerWaalsContact CG1-SG 3.53Å; I148-C180 HydrophobicContact CD1-CB 4.07Å; I148-C180 HydrophobicContact CG1-CB 4.21Å; L176-C180 WeakPolarHBondContact O-CB 3.47Å; L176-C180 PolarHBondContact O-N 3.24Å; R178-C180 VanDerWaalsContact C-N 3.29Å; R178-C180 PolarHBondContact O-N 3.32Å; C180-R182 PolarHBondContact O-N 3.13Å; C180-R182 VanDerWaalsContact O-N 3.13Å; C180-R183 VanDerWaalsContact C-NH2 3.34Å; C180-R183 WeakPolarHBondContact O-CB 3.43Å; C180-R183 WeakPolarHBondContact O-CG 3.34Å; C180-R183 PolarHBondContact O-N 3.4Å; C180-R183 PolarHBondContact O-NE 3.43Å; C180-R183 PolarHBondContact O-NH2 3.26Å; C180-R183 VanDerWaalsContact O-NH2 3.12Å
181	E	96.5	Very high	96.5	Very high	80 Å²	80	53.2 Å²	53.2	37%	0.374	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	40.7	176.3	-54.8	165.8	-156.7	0	0	113.1	V177 R178 E179 R183 R209 R214	V177-E181 PolarHBondContact O-N 2.99Å; R178-E181 PolarHBondContact O-N 3.24Å; E179-E181 PolarHBondContact O-N 3.31Å; E181-R183 PolarHBondContact O-N 2.91Å; E181-R183 IonicContact OE1-NH2 2.76Å; E181-R183 IonicContact OE2-CZ 2.77Å; E181-R183 IonicContact OE2-NH1 2.66Å; E181-R183 PolarHBondContact OE2-NH1 2.82Å; E181-R183 IonicContact OE2-NH2 3.84Å; E181-R209 PolarHBondContact O-NH2 2.9Å; E181-R214 IonicContact OE1-CZ 2.77Å; E181-R214 IonicContact OE1-NH2 3.13Å; E181-R214 PolarHBondContact OE1-NH2 3.07Å; E181-R214 IonicContact OE2-NH2 3.88Å; E181-R214 PolarHBondContact OE2-NH2 2.97Å
182	R	97.3	Very high	96.5	Very high	133 Å²	133	52 Å²	52	50%	0.502	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	31.7	-179.1	-55.5	175.5	59.2	80.2	4.3	114	V177 C180 Y184	V177-R182 HydrophobicContact CG1-CG 4.11Å; V177-R182 PolarHBondContact O-N 3.26Å; C180-R182 PolarHBondContact O-N 3.13Å; C180-R182 VanDerWaalsContact O-N 3.13Å; R182-Y184 HydrophobicContact CB-CE1 3.96Å; R182-Y184 PolarHBondContact NH2-OH 3.1Å; R182-Y184 PolarHBondContact O-N 2.84Å
183	R	98.1	Very high	96.4	Very high	1 Å²	1	54.2 Å²	54.2	0%	0.004	25%	0.252	C	S	.	.			trans	-86.5	101	170.2	-67.5	-179.6	-70.2	-86.6	-10.4	110	R144 V146 V147 I148 C180 E181 V206 E213	R144-R183 PolarHBondContact O-NH2 3.18Å; V146-R183 PolarHBondContact O-NE 3.32Å; V146-R183 VanDerWaalsContact O-NE 3.07Å; V147-R183 HydrophobicContact CG2-CB 4.2Å; I148-R183 PolarHBondContact N-O 3.02Å; C180-R183 VanDerWaalsContact C-NH2 3.34Å; C180-R183 WeakPolarHBondContact O-CB 3.43Å; C180-R183 WeakPolarHBondContact O-CG 3.34Å; C180-R183 PolarHBondContact O-N 3.4Å; C180-R183 PolarHBondContact O-NE 3.43Å; C180-R183 PolarHBondContact O-NH2 3.26Å; C180-R183 VanDerWaalsContact O-NH2 3.12Å; E181-R183 PolarHBondContact O-N 2.91Å; E181-R183 IonicContact OE1-NH2 2.76Å; E181-R183 IonicContact OE2-CZ 2.77Å; E181-R183 IonicContact OE2-NH1 2.66Å; E181-R183 PolarHBondContact OE2-NH1 2.82Å; E181-R183 IonicContact OE2-NH2 3.84Å; R183-V206 HydrophobicContact CB-CG1 4.17Å; R183-V206 HydrophobicContact CG-CG1 4.49Å; R183-E213 IonicContact NH1-OE2 3.9Å; R183-E213 PolarHBondContact NH1-OE2 3.16Å
184	Y	98.1	Very high	96.2	Very high	19 Å²	19	60.6 Å²	60.6	8%	0.075	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	157.7	175.4	52.8	-101	0	0	0	112.5	I148 F150 L161 D162 V165 V177 R182	I148-Y184 CarbonylContact O-C 3.55Å; I148-Y184 WeakPolarHBondContact O-CA 3.49Å; I148-Y184 WeakPolarHBondContact O-CB 3.42Å; F150-Y184 HydrophobicContact CE2-CG 4.49Å; L161-Y184 HydrophobicContact CD2-CD2 3.67Å; L161-Y184 HydrophobicContact CD2-CE2 4.2Å; L161-Y184 HydrophobicContact CG-CD2 4.04Å; L161-Y184 HydrophobicContact CG-CE2 4.19Å; D162-Y184 WeakPolarHBondContact OD1-CE2 3.37Å; D162-Y184 VanDerWaalsContact OD1-CZ 3.24Å; D162-Y184 PolarHBondContact OD1-OH 3.36Å; V165-Y184 HydrophobicContact CB-CE1 4.4Å; V165-Y184 HydrophobicContact CB-CE2 4.49Å; V165-Y184 HydrophobicContact CG1-CD1 4.41Å; V165-Y184 HydrophobicContact CG1-CE1 3.79Å; V165-Y184 HydrophobicContact CG2-CD1 4.5Å; V165-Y184 HydrophobicContact CG2-CD2 4.23Å; V165-Y184 HydrophobicContact CG2-CE1 4.33Å; V165-Y184 HydrophobicContact CG2-CE2 4.05Å; V165-Y184 HydrophobicContact CG2-CG 4.46Å; V177-Y184 HydrophobicContact CG1-CD1 4.15Å; V177-Y184 HydrophobicContact CG1-CE1 3.93Å; R182-Y184 HydrophobicContact CB-CE1 3.96Å; R182-Y184 PolarHBondContact NH2-OH 3.1Å; R182-Y184 PolarHBondContact O-N 2.84Å
185	C	97.8	Very high	96.2	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	173.5	168.3	65.7	0	0	0	0	110	I148 L149 F150 L161 E202	I148-C185 PolarHBondContact O-N 3.3Å; L149-C185 WeakPolarHBondContact CA-O 3.32Å; F150-C185 PolarHBondContact N-O 3.27Å; L161-C185 VanDerWaalsContact CD2-C 3.48Å; C185-E202 HydrophobicContact CB-CG 4.36Å
186	A	97.8	Very high	96.1	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	141.4	176.9	0	0	0	0	0	112.6	F150 K153 L161	F150-A186 HydrophobicContact CB-CB 4.14Å; F150-A186 CarbonylContact O-C 3.6Å; F150-A186 WeakPolarHBondContact O-CA 3.11Å; K153-A186 HydrophobicContact CB-CB 3.94Å; K153-A186 HydrophobicContact CD-CB 4.2Å; K153-A186 HydrophobicContact CG-CB 3.82Å; L161-A186 HydrophobicContact CD1-CB 4.14Å; L161-A186 HydrophobicContact CD2-CB 3.72Å; L161-A186 HydrophobicContact CG-CB 4.44Å
187	F	98	Very high	95.9	Very high	1 Å²	1	66.5 Å²	66.5	0%	0.004	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	126.6	180	-85.5	37.7	0	0	0	110.7	T43 I47 L149 F150 T151 H152 K153 Q199 L203	T43-F187 HydrophobicContact CG2-CD2 4.36Å; I47-F187 HydrophobicContact CG1-CE2 3.87Å; I47-F187 HydrophobicContact CG1-CZ 4.29Å; L149-F187 HydrophobicContact CD1-CD1 3.73Å; L149-F187 HydrophobicContact CD1-CD2 4.1Å; L149-F187 HydrophobicContact CD1-CE1 3.92Å; L149-F187 HydrophobicContact CD1-CE2 4.26Å; L149-F187 HydrophobicContact CD1-CG 3.86Å; L149-F187 HydrophobicContact CD1-CZ 4.19Å; L149-F187 HydrophobicContact CD2-CB 4.04Å; L149-F187 HydrophobicContact CD2-CG 4.25Å; L149-F187 HydrophobicContact CG-CB 4.48Å; L149-F187 HydrophobicContact CG-CD1 4.17Å; L149-F187 HydrophobicContact CG-CG 4.28Å; F150-F187 PolarHBondContact O-N 3.18Å; T151-F187 CarbonylContact C-O 3.24Å; T151-F187 WeakPolarHBondContact CA-O 3.32Å; H152-F187 PolarHBondContact N-O 3.08Å; H152-F187 VanDerWaalsContact N-O 3.11Å; K153-F187 VanDerWaalsContact CB-C 3.45Å; K153-F187 PolarHBondContact N-O 2.92Å; F187-Q199 HydrophobicContact CD1-CB 3.93Å; F187-Q199 HydrophobicContact CD1-CG 4.42Å; F187-Q199 HydrophobicContact CE1-CB 3.74Å; F187-Q199 WeakPolarHBondContact CE1-O 3.39Å; F187-Q199 HydrophobicContact CE2-CB 4.47Å; F187-Q199 HydrophobicContact CG-CB 4.36Å; F187-Q199 HydrophobicContact CZ-CB 4.03Å; F187-L203 HydrophobicContact CE1-CB 3.92Å; F187-L203 HydrophobicContact CE1-CD2 4.23Å; F187-L203 HydrophobicContact CZ-CB 3.98Å; F187-L203 HydrophobicContact CZ-CD2 3.72Å; F187-L203 HydrophobicContact CZ-CG 4.49Å
188	N	97	Very high	95.8	Very high	19 Å²	19	72 Å²	72	10%	0.102	33%	0.326	C	S	.	.			trans	-84.6	110.3	154.3	177.9	0.4	0	0	0	107.2	K153 E154 W190 G191 E195 Q199	K153-N188 HydrophobicContact CB-CB 4.06Å; E154-N188 WeakPolarHBondContact OE2-CA 3.48Å; E154-N188 WeakPolarHBondContact OE2-CB 3.39Å; E154-N188 VanDerWaalsContact OE2-CG 3.29Å; E154-N188 PolarHBondContact OE2-OD1 3.25Å; N188-W190 PolarHBondContact O-N 3.3Å; N188-W190 WeakPolarHBondContact OD1-CA 3.35Å; N188-W190 WeakPolarHBondContact OD1-CB 3.49Å; N188-W190 PolarHBondContact OD1-N 3Å; N188-G191 WeakPolarHBondContact ND2-CA 3.45Å; N188-G191 PolarHBondContact ND2-N 3.28Å; N188-G191 PolarHBondContact O-N 3.49Å; N188-G191 PolarHBondContact OD1-N 3.13Å; N188-G191 VanDerWaalsContact OD1-N 3.15Å; N188-E195 VanDerWaalsContact CB-OE1 3.3Å; N188-E195 WeakPolarHBondContact CB-OE1 3.46Å; N188-E195 PolarHBondContact ND2-OE1 3.19Å; N188-E195 PolarHBondContact ND2-OE2 3.4Å; N188-Q199 PolarHBondContact O-NE2 2.84Å
189	N	95.9	Very high	95.7	Very high	36 Å²	36	63.6 Å²	63.6	19%	0.193	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-5.8	-179.9	-69.4	-27.8	0	0	0	112.5	A42 T43 S46	A42-N189 HydrophobicContact CB-CB 4.11Å; T43-N189 PolarHBondContact OG1-ND2 2.98Å; T43-N189 PolarHBondContact OG1-OD1 3.42Å; S46-N189 PolarHBondContact OG-OD1 2.86Å; S46-N189 VanDerWaalsContact OG-OD1 3.13Å
190	W	92.1	Very high	95.7	Very high	224 Å²	224	61.7 Å²	61.7	85%	0.848	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.5	7.5	174.2	-59.5	103	0	0	0	112.9	N188	N188-W190 PolarHBondContact O-N 3.3Å; N188-W190 WeakPolarHBondContact OD1-CA 3.35Å; N188-W190 WeakPolarHBondContact OD1-CB 3.49Å; N188-W190 PolarHBondContact OD1-N 3Å
191	G	91.3	Very high	95.6	Very high	21 Å²	21	64.1 Å²	64.1	22%	0.216	31%	0.305	C	S	.	.			trans	-63.4	163.3	-177.7	0	0	0	0	0	113.3	N188 E195	N188-G191 WeakPolarHBondContact ND2-CA 3.45Å; N188-G191 PolarHBondContact ND2-N 3.28Å; N188-G191 PolarHBondContact O-N 3.49Å; N188-G191 PolarHBondContact OD1-N 3.13Å; N188-G191 VanDerWaalsContact OD1-N 3.15Å; G191-E195 WeakPolarHBondContact CA-OE2 3.4Å
192	S	94	Very high	95.6	Very high	59 Å²	59	63.2 Å²	63.2	41%	0.413	30%	0.301	S	S	.	.			trans	-64	168	173	86.7	0	0	0	0	111.3	E194 E195 Q196	S192-E194 WeakPolarHBondContact CB-OE2 3.26Å; S192-E194 PolarHBondContact O-N 3.45Å; S192-E194 PolarHBondContact OG-N 3.05Å; S192-E194 PolarHBondContact OG-OE2 2.8Å; S192-E195 PolarHBondContact O-N 2.89Å; S192-E195 PolarHBondContact OG-N 3.19Å; S192-Q196 WeakPolarHBondContact O-CB 3.26Å; S192-Q196 PolarHBondContact O-N 2.53Å
193	V	92.9	Very high	95.6	Very high	106 Å²	106	56.9 Å²	56.9	64%	0.642	28%	0.277	S	S	*	.	H	α-helix	trans	-59.1	-37.1	176	177.5	0	0	0	0	111.1	R197	V193-R197 WeakPolarHBondContact O-CB 3.5Å; V193-R197 PolarHBondContact O-N 3.27Å
194	E	94.8	Very high	95.5	Very high	136 Å²	136	57.7 Å²	57.7	64%	0.636	28%	0.282	S	S	*	.	H	α-helix	trans	-66.4	-46.2	176.5	-59.7	70.5	-151.5	0	0	111.4	S192 Q196 R197 Q198	S192-E194 WeakPolarHBondContact CB-OE2 3.26Å; S192-E194 PolarHBondContact O-N 3.45Å; S192-E194 PolarHBondContact OG-N 3.05Å; S192-E194 PolarHBondContact OG-OE2 2.8Å; E194-Q196 VanDerWaalsContact C-N 3.35Å; E194-R197 WeakPolarHBondContact O-CB 3.32Å; E194-R197 PolarHBondContact O-N 3.19Å; E194-Q198 PolarHBondContact O-N 3.21Å
195	E	95	Very high	95.4	Very high	64 Å²	64	59.3 Å²	59.3	30%	0.299	30%	0.299	S	S	.	.	H	α-helix	trans	-62.6	-43.5	176.3	-174	177.9	-176.8	0	0	111	N188 G191 S192 R197 Q198 Q199	N188-E195 VanDerWaalsContact CB-OE1 3.3Å; N188-E195 WeakPolarHBondContact CB-OE1 3.46Å; N188-E195 PolarHBondContact ND2-OE1 3.19Å; N188-E195 PolarHBondContact ND2-OE2 3.4Å; G191-E195 WeakPolarHBondContact CA-OE2 3.4Å; S192-E195 PolarHBondContact O-N 2.89Å; S192-E195 PolarHBondContact OG-N 3.19Å; E195-R197 VanDerWaalsContact C-N 3.31Å; E195-R197 PolarHBondContact O-N 3.19Å; E195-Q198 WeakPolarHBondContact O-CB 3.24Å; E195-Q198 PolarHBondContact O-N 3.38Å; E195-Q199 VanDerWaalsContact O-CG 3.25Å; E195-Q199 WeakPolarHBondContact O-CG 3.21Å; E195-Q199 PolarHBondContact O-N 2.91Å
196	Q	94.8	Very high	95.4	Very high	40 Å²	40	60.5 Å²	60.5	19%	0.187	31%	0.306	C	S	.	.	H	α-helix	trans	-57.9	-43.7	175.1	-176.8	179	19.3	0	0	111.6	S46 G49 S192 E194 Q198 Q199 Q200	S46-Q196 VanDerWaalsContact CA-NE2 3.3Å; S46-Q196 PolarHBondContact O-NE2 3.06Å; G49-Q196 VanDerWaalsContact CA-NE2 3.35Å; S192-Q196 WeakPolarHBondContact O-CB 3.26Å; S192-Q196 PolarHBondContact O-N 2.53Å; E194-Q196 VanDerWaalsContact C-N 3.35Å; Q196-Q198 VanDerWaalsContact C-N 3.35Å; Q196-Q198 PolarHBondContact O-N 3.07Å; Q196-Q199 PolarHBondContact O-N 3.02Å; Q196-Q200 WeakPolarHBondContact O-CG 3.5Å; Q196-Q200 PolarHBondContact O-N 3Å
197	R	93.8	Very high	95.4	Very high	194 Å²	194	60.8 Å²	60.8	73%	0.732	31%	0.307	S	S	*	.	H	α-helix	trans	-63.4	-40.5	177.3	-163.8	-180	-155.1	175	6.1	112	V193 E194 E195 Q200 A201	V193-R197 WeakPolarHBondContact O-CB 3.5Å; V193-R197 PolarHBondContact O-N 3.27Å; E194-R197 WeakPolarHBondContact O-CB 3.32Å; E194-R197 PolarHBondContact O-N 3.19Å; E195-R197 VanDerWaalsContact C-N 3.31Å; E195-R197 PolarHBondContact O-N 3.19Å; R197-Q200 PolarHBondContact O-N 3.44Å; R197-A201 PolarHBondContact O-N 2.88Å
198	Q	95.2	Very high	95.2	Very high	125 Å²	125	65 Å²	65	58%	0.584	33%	0.327	S	S	*	.	H	α-helix	trans	-64.5	-42.5	175.8	-177.1	59.5	28.8	0	0	111.6	E194 E195 Q196 A201 E202	E194-Q198 PolarHBondContact O-N 3.21Å; E195-Q198 WeakPolarHBondContact O-CB 3.24Å; E195-Q198 PolarHBondContact O-N 3.38Å; Q196-Q198 VanDerWaalsContact C-N 3.35Å; Q196-Q198 PolarHBondContact O-N 3.07Å; Q198-A201 PolarHBondContact O-N 3.03Å; Q198-E202 PolarHBondContact O-N 2.93Å
199	Q	96.4	Very high	95.2	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-65.6	-38.6	177.2	-69.5	175.2	160.4	0	0	112.4	F187 N188 E195 Q196 A201 E202 L203	F187-Q199 HydrophobicContact CD1-CB 3.93Å; F187-Q199 HydrophobicContact CD1-CG 4.42Å; F187-Q199 HydrophobicContact CE1-CB 3.74Å; F187-Q199 WeakPolarHBondContact CE1-O 3.39Å; F187-Q199 HydrophobicContact CE2-CB 4.47Å; F187-Q199 HydrophobicContact CG-CB 4.36Å; F187-Q199 HydrophobicContact CZ-CB 4.03Å; N188-Q199 PolarHBondContact O-NE2 2.84Å; E195-Q199 VanDerWaalsContact O-CG 3.25Å; E195-Q199 WeakPolarHBondContact O-CG 3.21Å; E195-Q199 PolarHBondContact O-N 2.91Å; Q196-Q199 PolarHBondContact O-N 3.02Å; Q199-A201 VanDerWaalsContact C-N 3.34Å; Q199-E202 PolarHBondContact O-N 3.09Å; Q199-L203 WeakPolarHBondContact O-CB 3.44Å; Q199-L203 PolarHBondContact O-N 3.3Å
200	Q	95.4	Very high	95.3	Very high	37 Å²	37	67.1 Å²	67.1	17%	0.173	33%	0.331	C	S	.	.	H	α-helix	trans	-61.4	-43.1	172.3	-74.7	176.7	2.6	0	0	111.4	S46 I47 W73 Q196 R197 L203 L204	S46-Q200 PolarHBondContact O-NE2 2.96Å; I47-Q200 PolarHBondContact O-NE2 2.97Å; I47-Q200 VanDerWaalsContact O-NE2 3.14Å; W73-Q200 HydrophobicContact CZ2-CG 4.46Å; Q196-Q200 WeakPolarHBondContact O-CG 3.5Å; Q196-Q200 PolarHBondContact O-N 3Å; R197-Q200 PolarHBondContact O-N 3.44Å; Q200-L203 PolarHBondContact O-N 3.5Å; Q200-L204 VanDerWaalsContact O-CB 3.31Å; Q200-L204 WeakPolarHBondContact O-CB 3.45Å; Q200-L204 PolarHBondContact O-N 3.07Å
201	A	95.2	Very high	95.4	Very high	52 Å²	52	57.7 Å²	57.7	43%	0.43	30%	0.303	S	S	.	.	H	α-helix	trans	-64.4	-41.3	177	0	0	0	0	0	112.2	R197 Q198 Q199 L204 A205	R197-A201 PolarHBondContact O-N 2.88Å; Q198-A201 PolarHBondContact O-N 3.03Å; Q199-A201 VanDerWaalsContact C-N 3.34Å; A201-L204 PolarHBondContact O-N 2.87Å; A201-A205 PolarHBondContact O-N 3.26Å
202	E	96.6	Very high	95.6	Very high	60 Å²	60	64.7 Å²	64.7	28%	0.28	32%	0.324	S	S	.	.	H	α-helix	trans	-61.9	-48.9	175.7	-170.9	-174.9	154.1	0	0	111.5	K153 C185 Q198 Q199 L204 A205 V206	K153-E202 IonicContact NZ-OE2 2.75Å; K153-E202 PolarHBondContact NZ-OE2 2.83Å; C185-E202 HydrophobicContact CB-CG 4.36Å; Q198-E202 PolarHBondContact O-N 2.93Å; Q199-E202 PolarHBondContact O-N 3.09Å; E202-L204 PolarHBondContact O-N 3.3Å; E202-A205 PolarHBondContact O-N 3.05Å; E202-V206 WeakPolarHBondContact O-CG2 3.46Å; E202-V206 PolarHBondContact O-N 3.18Å; E202-V206 VanDerWaalsContact O-N 3.13Å
203	L	97.7	Very high	95.7	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-61.6	-43.7	176.1	176.4	59.6	0	0	0	111.6	I47 W73 L115 V147 L149 F187 Q199 Q200 A205 V206 I207	I47-L203 HydrophobicContact CD1-CD2 4Å; I47-L203 HydrophobicContact CG1-CD2 3.82Å; W73-L203 HydrophobicContact CH2-CD2 3.83Å; W73-L203 HydrophobicContact CH2-CG 4.06Å; W73-L203 HydrophobicContact CZ2-CD2 4.38Å; L115-L203 HydrophobicContact CD1-CD1 3.83Å; L115-L203 HydrophobicContact CD2-CD2 4.19Å; V147-L203 HydrophobicContact CG1-CD1 4.33Å; L149-L203 HydrophobicContact CD1-CD2 4.47Å; F187-L203 HydrophobicContact CE1-CB 3.92Å; F187-L203 HydrophobicContact CE1-CD2 4.23Å; F187-L203 HydrophobicContact CZ-CB 3.98Å; F187-L203 HydrophobicContact CZ-CD2 3.72Å; F187-L203 HydrophobicContact CZ-CG 4.49Å; Q199-L203 WeakPolarHBondContact O-CB 3.44Å; Q199-L203 PolarHBondContact O-N 3.3Å; Q200-L203 PolarHBondContact O-N 3.5Å; L203-A205 VanDerWaalsContact C-N 3.32Å; L203-A205 PolarHBondContact O-N 3.4Å; L203-V206 PolarHBondContact O-N 2.87Å; L203-I207 HydrophobicContact CD1-CD1 3.83Å; L203-I207 HydrophobicContact CD1-CG1 4.06Å; L203-I207 HydrophobicContact CD2-CD1 4.45Å; L203-I207 HydrophobicContact CG-CD1 3.79Å; L203-I207 HydrophobicContact CG-CG1 4.38Å; L203-I207 VanDerWaalsContact O-CG1 3.28Å; L203-I207 WeakPolarHBondContact O-CG1 3.26Å; L203-I207 PolarHBondContact O-N 2.9Å
204	L	95.9	Very high	95.8	Very high	19 Å²	19	62.3 Å²	62.3	10%	0.099	30%	0.297	C	S	.	.	H	α-helix	trans	-59.4	-42.9	177.1	177.3	57.4	0	0	0	111.3	W73 Q200 A201 E202 V206 I207 E208	W73-L204 HydrophobicContact CE3-CB 4.21Å; W73-L204 HydrophobicContact CE3-CD1 3.84Å; W73-L204 HydrophobicContact CE3-CG 4.41Å; W73-L204 HydrophobicContact CZ3-CB 4.15Å; W73-L204 HydrophobicContact CZ3-CD1 4.11Å; Q200-L204 VanDerWaalsContact O-CB 3.31Å; Q200-L204 WeakPolarHBondContact O-CB 3.45Å; Q200-L204 PolarHBondContact O-N 3.07Å; A201-L204 PolarHBondContact O-N 2.87Å; E202-L204 PolarHBondContact O-N 3.3Å; L204-V206 VanDerWaalsContact C-N 3.35Å; L204-V206 PolarHBondContact O-N 3.4Å; L204-I207 PolarHBondContact O-N 3.31Å; L204-E208 HydrophobicContact CD1-CG 3.95Å; L204-E208 HydrophobicContact CG-CG 4.34Å; L204-E208 WeakPolarHBondContact O-CB 3.44Å; L204-E208 WeakPolarHBondContact O-CG 3.28Å; L204-E208 PolarHBondContact O-N 3.22Å
205	A	96.4	Very high	95.7	Very high	53 Å²	53	64.9 Å²	64.9	44%	0.438	31%	0.309	S	S	.	.	H	α-helix	trans	-61.2	-41.2	177	0	0	0	0	0	112.5	A201 E202 L203 E208 R209	A201-A205 PolarHBondContact O-N 3.26Å; E202-A205 PolarHBondContact O-N 3.05Å; L203-A205 VanDerWaalsContact C-N 3.32Å; L203-A205 PolarHBondContact O-N 3.4Å; A205-E208 PolarHBondContact O-N 3.18Å; A205-R209 WeakPolarHBondContact O-CB 3.47Å; A205-R209 PolarHBondContact O-N 3.31Å
206	V	98	Very high	95.4	Very high	24 Å²	24	64.1 Å²	64.1	15%	0.145	32%	0.318	C	S	.	.	H	α-helix	trans	-64.3	-42.4	174.6	176.8	0	0	0	0	111.1	V147 R183 E202 L203 L204 R209 L210	V147-V206 HydrophobicContact CG1-CG1 3.73Å; V147-V206 HydrophobicContact CG2-CG1 4.01Å; R183-V206 HydrophobicContact CB-CG1 4.17Å; R183-V206 HydrophobicContact CG-CG1 4.49Å; E202-V206 WeakPolarHBondContact O-CG2 3.46Å; E202-V206 PolarHBondContact O-N 3.18Å; E202-V206 VanDerWaalsContact O-N 3.13Å; L203-V206 PolarHBondContact O-N 2.87Å; L204-V206 VanDerWaalsContact C-N 3.35Å; L204-V206 PolarHBondContact O-N 3.4Å; V206-R209 PolarHBondContact O-N 2.89Å; V206-L210 PolarHBondContact O-N 3.39Å
207	I	96.4	Very high	95.4	Very high	6 Å²	6	65.1 Å²	65.1	3%	0.031	33%	0.33	C	S	.	.	H	α-helix	trans	-67	-39.3	178.5	-68.7	175.9	0	0	0	111.5	L28 I30 W73 V113 L203 L204 L210 G211	L28-I207 HydrophobicContact CD1-CG2 3.73Å; L28-I207 HydrophobicContact CD2-CD1 4.22Å; L28-I207 HydrophobicContact CD2-CG2 3.99Å; I30-I207 HydrophobicContact CD1-CD1 3.87Å; W73-I207 HydrophobicContact CH2-CD1 4.29Å; W73-I207 HydrophobicContact CZ3-CD1 4.07Å; V113-I207 HydrophobicContact CG1-CG1 4.43Å; V113-I207 HydrophobicContact CG2-CB 4.34Å; V113-I207 HydrophobicContact CG2-CD1 3.98Å; V113-I207 HydrophobicContact CG2-CG1 3.81Å; V113-I207 HydrophobicContact CG2-CG2 3.77Å; L203-I207 HydrophobicContact CD1-CD1 3.83Å; L203-I207 HydrophobicContact CD1-CG1 4.06Å; L203-I207 HydrophobicContact CD2-CD1 4.45Å; L203-I207 HydrophobicContact CG-CD1 3.79Å; L203-I207 HydrophobicContact CG-CG1 4.38Å; L203-I207 VanDerWaalsContact O-CG1 3.28Å; L203-I207 WeakPolarHBondContact O-CG1 3.26Å; L203-I207 PolarHBondContact O-N 2.9Å; L204-I207 PolarHBondContact O-N 3.31Å; I207-L210 PolarHBondContact O-N 3.11Å; I207-G211 PolarHBondContact O-N 3.44Å
208	E	94.9	Very high	95.5	Very high	90 Å²	90	59.2 Å²	59.2	42%	0.421	31%	0.31	S	S	.	.	H	α-helix	trans	-67.7	-38	176.1	-75	179.2	174.2	0	0	111.9	L204 A205 G211 R212	L204-E208 HydrophobicContact CD1-CG 3.95Å; L204-E208 HydrophobicContact CG-CG 4.34Å; L204-E208 WeakPolarHBondContact O-CB 3.44Å; L204-E208 WeakPolarHBondContact O-CG 3.28Å; L204-E208 PolarHBondContact O-N 3.22Å; A205-E208 PolarHBondContact O-N 3.18Å; E208-G211 PolarHBondContact O-N 3.35Å; E208-R212 WeakPolarHBondContact O-CG 3.48Å; E208-R212 PolarHBondContact O-N 3.08Å
209	R	97.3	Very high	95.6	Very high	96 Å²	96	53.9 Å²	53.9	36%	0.362	28%	0.284	S	S	.	.	H	α-helix	trans	-59.4	-50	170.6	176.6	-175.6	162.2	-140.6	-14.7	110.7	E181 A205 V206 G211 R212 E213	E181-R209 PolarHBondContact O-NH2 2.9Å; A205-R209 WeakPolarHBondContact O-CB 3.47Å; A205-R209 PolarHBondContact O-N 3.31Å; V206-R209 PolarHBondContact O-N 2.89Å; R209-G211 VanDerWaalsContact C-N 3.28Å; R209-G211 PolarHBondContact O-N 3.01Å; R209-R212 PolarHBondContact O-N 3.35Å; R209-R212 VanDerWaalsContact O-N 3.12Å; R209-E213 IonicContact CZ-OE1 3.5Å; R209-E213 IonicContact NE-OE1 3.84Å; R209-E213 PolarHBondContact NE-OE1 3.36Å; R209-E213 IonicContact NH2-OE1 2.67Å; R209-E213 PolarHBondContact NH2-OE1 3.22Å; R209-E213 WeakPolarHBondContact O-CG 3.46Å; R209-E213 PolarHBondContact O-N 2.63Å
210	L	97.4	Very high	95.6	Very high	3 Å²	3	56.8 Å²	56.8	2%	0.016	31%	0.305	C	S	.	.	H	α-helix	trans	-57.5	-43.2	175.1	171.9	62.4	0	0	0	111.2	V113 R144 V147 V206 I207 R212 E213 R214	V113-L210 HydrophobicContact CG2-CD2 4.19Å; R144-L210 VanDerWaalsContact O-CD1 3.28Å; R144-L210 WeakPolarHBondContact O-CD1 3.4Å; V147-L210 HydrophobicContact CG2-CD2 4.06Å; V206-L210 PolarHBondContact O-N 3.39Å; I207-L210 PolarHBondContact O-N 3.11Å; L210-R212 VanDerWaalsContact C-N 3.3Å; L210-R212 PolarHBondContact O-N 3.42Å; L210-E213 PolarHBondContact O-N 2.93Å; L210-R214 HydrophobicContact CD1-CG 3.63Å; L210-R214 HydrophobicContact CG-CG 4.38Å; L210-R214 WeakPolarHBondContact O-CB 3.41Å; L210-R214 VanDerWaalsContact O-CG 3.28Å; L210-R214 WeakPolarHBondContact O-CG 3.43Å; L210-R214 PolarHBondContact O-N 2.6Å
211	G	94.7	Very high	95.7	Very high	26 Å²	26	56.4 Å²	56.4	27%	0.268	30%	0.304	S	S	.	.	H	α-helix	trans	-57.1	-41.9	175.8	0	0	0	0	0	112.2	I207 E208 R209 R214 E215 G216	I207-G211 PolarHBondContact O-N 3.44Å; E208-G211 PolarHBondContact O-N 3.35Å; R209-G211 VanDerWaalsContact C-N 3.28Å; R209-G211 PolarHBondContact O-N 3.01Å; G211-R214 CarbonylContact O-C 3.52Å; G211-R214 PolarHBondContact O-N 2.92Å; G211-E215 PolarHBondContact O-N 3.05Å; G211-G216 PolarHBondContact O-N 3.07Å
212	R	95.8	Very high	95.8	Very high	169 Å²	169	58.2 Å²	58.2	64%	0.638	31%	0.307	S	S	*	.	H	α-helix	trans	-67.3	-44.9	174.8	-69.9	-175.5	-67.5	-94.1	2.4	112.5	E208 R209 L210 R214 E215	E208-R212 WeakPolarHBondContact O-CG 3.48Å; E208-R212 PolarHBondContact O-N 3.08Å; R209-R212 PolarHBondContact O-N 3.35Å; R209-R212 VanDerWaalsContact O-N 3.12Å; L210-R212 VanDerWaalsContact C-N 3.3Å; L210-R212 PolarHBondContact O-N 3.42Å; R212-R214 PolarHBondContact O-N 3.29Å; R212-E215 PolarHBondContact O-N 3.16Å
213	E	95.6	Very high	95.9	Very high	67 Å²	67	55.4 Å²	55.4	31%	0.313	29%	0.293	S	S	.	.	H	α-helix	trans	-60.7	-23.6	176.8	-70.6	171.4	177	0	0	113	R183 R209 L210	R183-E213 IonicContact NH1-OE2 3.9Å; R183-E213 PolarHBondContact NH1-OE2 3.16Å; R209-E213 IonicContact CZ-OE1 3.5Å; R209-E213 IonicContact NE-OE1 3.84Å; R209-E213 PolarHBondContact NE-OE1 3.36Å; R209-E213 IonicContact NH2-OE1 2.67Å; R209-E213 PolarHBondContact NH2-OE1 3.22Å; R209-E213 WeakPolarHBondContact O-CG 3.46Å; R209-E213 PolarHBondContact O-N 2.63Å; L210-E213 PolarHBondContact O-N 2.93Å
214	R	94.3	Very high	95.9	Very high	47 Å²	47	55.4 Å²	55.4	18%	0.177	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	10.9	-178.4	-56.5	-59.3	174.7	-145.2	-5	113.4	R144 E181 L210 G211 R212 G216 S217	R144-R214 PolarHBondContact O-NE 3.39Å; R144-R214 PolarHBondContact O-NH2 2.88Å; R144-R214 VanDerWaalsContact O-NH2 3.16Å; E181-R214 IonicContact OE1-CZ 2.77Å; E181-R214 IonicContact OE1-NH2 3.13Å; E181-R214 PolarHBondContact OE1-NH2 3.07Å; E181-R214 IonicContact OE2-NH2 3.88Å; E181-R214 PolarHBondContact OE2-NH2 2.97Å; L210-R214 HydrophobicContact CD1-CG 3.63Å; L210-R214 HydrophobicContact CG-CG 4.38Å; L210-R214 WeakPolarHBondContact O-CB 3.41Å; L210-R214 VanDerWaalsContact O-CG 3.28Å; L210-R214 WeakPolarHBondContact O-CG 3.43Å; L210-R214 PolarHBondContact O-N 2.6Å; G211-R214 CarbonylContact O-C 3.52Å; G211-R214 PolarHBondContact O-N 2.92Å; R212-R214 PolarHBondContact O-N 3.29Å; R214-G216 PolarHBondContact O-N 2.84Å; R214-G216 VanDerWaalsContact O-N 3.16Å; R214-S217 VanDerWaalsContact O-CB 3.23Å; R214-S217 WeakPolarHBondContact O-CB 3.37Å; R214-S217 PolarHBondContact O-N 3.03Å; R214-S217 PolarHBondContact O-OG 3.16Å
215	E	92.6	Very high	95.9	Very high	190 Å²	190	59.1 Å²	59.1	89%	0.888	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	34.2	-179.8	-58.6	173.9	-160.9	0	0	113.6	G211 R212 S217	G211-E215 PolarHBondContact O-N 3.05Å; R212-E215 PolarHBondContact O-N 3.16Å; E215-S217 PolarHBondContact O-N 3.24Å
216	G	89.2	Confident	95.9	Very high	49 Å²	49	58.1 Å²	58.1	51%	0.505	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	76	2.5	-177.5	0	0	0	0	0	114.7	G211 R214	G211-G216 PolarHBondContact O-N 3.07Å; R214-G216 PolarHBondContact O-N 2.84Å; R214-G216 VanDerWaalsContact O-N 3.16Å
217	S	93.9	Very high	95.8	Very high	60 Å²	60	57 Å²	57	42%	0.42	29%	0.293	S	S	.	.			trans	-68.9	156	179.2	68.6	0	0	0	0	113	R214 E215	R214-S217 VanDerWaalsContact O-CB 3.23Å; R214-S217 WeakPolarHBondContact O-CB 3.37Å; R214-S217 PolarHBondContact O-N 3.03Å; R214-S217 PolarHBondContact O-OG 3.16Å; E215-S217 PolarHBondContact O-N 3.24Å
218	F	96.2	Very high	95.7	Very high	71 Å²	71	59.2 Å²	59.2	31%	0.311	30%	0.304	S	S	.	.			trans	-114.4	158.1	173.3	52.7	-96.6	0	0	0	109.7	R29 P109 P111 S220	R29-F218 VanDerWaalsContact NH2-CD1 3.28Å; R29-F218 VanDerWaalsContact NH2-CG 3.34Å; P109-F218 HydrophobicContact CB-CE2 3.59Å; P109-F218 HydrophobicContact CB-CZ 3.62Å; P109-F218 HydrophobicContact CG-CD2 4.41Å; P109-F218 HydrophobicContact CG-CE1 3.92Å; P109-F218 HydrophobicContact CG-CE2 3.7Å; P109-F218 HydrophobicContact CG-CZ 3.42Å; P109-F218 VanDerWaalsContact CG-CZ 3.42Å; P109-F218 VanDerWaalsContact O-CE2 3.28Å; P109-F218 WeakPolarHBondContact O-CE2 3.38Å; P111-F218 WeakPolarHBondContact O-CB 3.21Å; F218-S220 PolarHBondContact O-N 3.5Å
219	H	97.6	Very high	95.7	Very high	12 Å²	12	59 Å²	59	6%	0.056	31%	0.305	C	S	.	.			trans	-67.3	130.3	174.4	178.2	61	0	0	0	110.1	G110 P111 F138 H145	G110-H219 CarbonylContact C-O 3.58Å; G110-H219 WeakPolarHBondContact CA-O 3.32Å; P111-H219 HydrophobicContact CG-CB 4.21Å; P111-H219 PolarHBondContact O-N 3.04Å; F138-H219 PolarHBondContact O-CE1 2.8Å; F138-H219 VanDerWaalsContact O-CE1 3.24Å; F138-H219 PolarHBondContact O-NE2 3Å; H145-H219 HydrophobicContact CB-CB 4.25Å
220	S	96.8	Very high	95.5	Very high	61 Å²	61	55.6 Å²	55.6	43%	0.427	29%	0.294	S	S	.	.			trans	-147.4	160.7	-179.5	-161.1	0	0	0	0	111.5	P109 F218	P109-S220 PolarHBondContact O-OG 3.12Å; P109-S220 VanDerWaalsContact O-OG 3.07Å; F218-S220 PolarHBondContact O-N 3.5Å
221	N	97.3	Very high	95.2	Very high	29 Å²	29	60.2 Å²	60.2	16%	0.155	32%	0.315	C	S	.	.			trans	-161.8	178	176.1	57.1	39.3	0	0	0	109.1	Y104 F138 L223 F224 L225	Y104-N221 WeakPolarHBondContact CE1-OD1 3.47Å; Y104-N221 PolarHBondContact OH-ND2 2.72Å; Y104-N221 VanDerWaalsContact OH-ND2 3.11Å; F138-N221 PolarHBondContact O-ND2 3.17Å; N221-L223 PolarHBondContact O-N 2.82Å; N221-L223 PolarHBondContact OD1-N 3.11Å; N221-F224 WeakPolarHBondContact O-CB 3.4Å; N221-F224 PolarHBondContact O-N 3.34Å; N221-F224 PolarHBondContact OD1-N 3.43Å; N221-L225 PolarHBondContact O-N 3.21Å
222	D	97.3	Very high	94.9	Very high	91 Å²	91	68.2 Å²	68.2	49%	0.487	34%	0.337	S	S	.	.	H	α-helix	trans	-54.2	-38.3	-176.6	-57.7	-31.1	0	0	0	112.8	F224 L225 D226	D222-F224 VanDerWaalsContact C-N 3.32Å; D222-F224 PolarHBondContact O-N 3.26Å; D222-L225 WeakPolarHBondContact O-CA 3.48Å; D222-L225 WeakPolarHBondContact O-CB 3.1Å; D222-L225 PolarHBondContact O-N 3.39Å; D222-D226 PolarHBondContact O-N 3.06Å
223	L	98.1	Very high	94.3	Very high	1 Å²	1	63.5 Å²	63.5	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-68.2	-28.8	-179.3	-173.7	62.7	0	0	0	113.2	Y104 N221 D226 A227 Y245 K248 V249 Q252	Y104-L223 HydrophobicContact CD1-CB 4Å; Y104-L223 HydrophobicContact CD1-CD2 3.82Å; Y104-L223 HydrophobicContact CD1-CG 3.7Å; Y104-L223 HydrophobicContact CD2-CD2 3.83Å; Y104-L223 HydrophobicContact CE1-CB 3.75Å; Y104-L223 HydrophobicContact CE1-CD2 3.73Å; Y104-L223 HydrophobicContact CE1-CG 3.85Å; Y104-L223 HydrophobicContact CE2-CD2 3.76Å; Y104-L223 HydrophobicContact CG-CD2 3.85Å; Y104-L223 HydrophobicContact CG-CG 4.04Å; N221-L223 PolarHBondContact O-N 2.82Å; N221-L223 PolarHBondContact OD1-N 3.11Å; L223-D226 HydrophobicContact CD1-CB 4.46Å; L223-A227 WeakPolarHBondContact O-CB 3.44Å; L223-A227 PolarHBondContact O-N 2.91Å; L223-Y245 HydrophobicContact CD1-CD2 4.26Å; L223-Y245 HydrophobicContact CD1-CE2 3.61Å; L223-Y245 HydrophobicContact CG-CE2 4.41Å; L223-K248 HydrophobicContact CD1-CB 4.2Å; L223-V249 HydrophobicContact CD1-CB 4.49Å; L223-V249 HydrophobicContact CD1-CG2 3.83Å; L223-V249 HydrophobicContact CD2-CB 4.3Å; L223-V249 HydrophobicContact CD2-CG1 4.37Å; L223-V249 HydrophobicContact CD2-CG2 4.04Å; L223-V249 HydrophobicContact CG-CG2 4.46Å; L223-Q252 HydrophobicContact CB-CB 4.29Å; L223-Q252 HydrophobicContact CB-CG 3.93Å; L223-Q252 HydrophobicContact CD2-CB 3.99Å; L223-Q252 HydrophobicContact CD2-CG 4.08Å
224	F	97.9	Very high	93.2	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-68.9	-35.6	170.4	-81.4	-63.6	0	0	0	112.3	Y104 S107 P109 P111 F138 N221 D222 A227 Q228	Y104-F224 AromaticContact CD1-CD1 3.58Å; Y104-F224 HydrophobicContact CD1-CD1 3.58Å; Y104-F224 AromaticContact CD1-CD2 3.84Å; Y104-F224 HydrophobicContact CD1-CD2 3.84Å; Y104-F224 AromaticContact CD1-CE1 3.49Å; Y104-F224 HydrophobicContact CD1-CE1 3.49Å; Y104-F224 VanDerWaalsContact CD1-CE1 3.49Å; Y104-F224 AromaticContact CD1-CE2 3.79Å; Y104-F224 HydrophobicContact CD1-CE2 3.79Å; Y104-F224 AromaticContact CD1-CG 3.75Å; Y104-F224 HydrophobicContact CD1-CG 3.75Å; Y104-F224 AromaticContact CD1-CZ 3.59Å; Y104-F224 HydrophobicContact CD1-CZ 3.59Å; Y104-F224 HydrophobicContact CE1-CD1 4.17Å; Y104-F224 AromaticContact CE1-CD2 3.55Å; Y104-F224 HydrophobicContact CE1-CD2 3.55Å; Y104-F224 HydrophobicContact CE1-CE1 4.02Å; Y104-F224 AromaticContact CE1-CE2 3.41Å; Y104-F224 HydrophobicContact CE1-CE2 3.41Å; Y104-F224 VanDerWaalsContact CE1-CE2 3.41Å; Y104-F224 AromaticContact CE1-CG 3.94Å; Y104-F224 HydrophobicContact CE1-CG 3.94Å; Y104-F224 AromaticContact CE1-CZ 3.64Å; Y104-F224 HydrophobicContact CE1-CZ 3.64Å; Y104-F224 HydrophobicContact CG-CD1 4.46Å; Y104-F224 HydrophobicContact CG-CE1 4.09Å; Y104-F224 HydrophobicContact CG-CZ 4.27Å; S107-F224 WeakPolarHBondContact OG-CE1 3.17Å; P109-F224 VanDerWaalsContact O-CB 3.29Å; P109-F224 WeakPolarHBondContact O-CB 3.5Å; P109-F224 WeakPolarHBondContact O-CG 3.3Å; P111-F224 HydrophobicContact CG-CZ 4.34Å; F138-F224 HydrophobicContact CD1-CE2 4.32Å; F138-F224 HydrophobicContact CD1-CZ 4.2Å; F138-F224 HydrophobicContact CE1-CZ 4.1Å; N221-F224 WeakPolarHBondContact O-CB 3.4Å; N221-F224 PolarHBondContact O-N 3.34Å; N221-F224 PolarHBondContact OD1-N 3.43Å; D222-F224 VanDerWaalsContact C-N 3.32Å; D222-F224 PolarHBondContact O-N 3.26Å; F224-A227 PolarHBondContact O-N 2.97Å; F224-Q228 WeakPolarHBondContact O-CG 3.43Å; F224-Q228 PolarHBondContact O-N 2.84Å
225	L	96.4	Very high	91.6	Very high	97 Å²	97	65.7 Å²	65.7	51%	0.508	37%	0.371	S	S	.	.	H	α-helix	trans	-65.7	-45.1	173.6	178.7	62.4	0	0	0	110.5	N221 D222 A227 Q228 L229	N221-L225 PolarHBondContact O-N 3.21Å; D222-L225 WeakPolarHBondContact O-CA 3.48Å; D222-L225 WeakPolarHBondContact O-CB 3.1Å; D222-L225 PolarHBondContact O-N 3.39Å; L225-A227 VanDerWaalsContact C-N 3.31Å; L225-A227 PolarHBondContact O-N 3.45Å; L225-Q228 PolarHBondContact O-N 2.94Å; L225-Q228 VanDerWaalsContact O-N 3.16Å; L225-L229 HydrophobicContact CG-CD1 4.46Å; L225-L229 WeakPolarHBondContact O-CG 3.49Å; L225-L229 PolarHBondContact O-N 3.15Å
226	D	96.7	Very high	90.4	Very high	32 Å²	32	59.6 Å²	59.6	17%	0.171	36%	0.359	C	S	.	.	H	α-helix	trans	-58.7	-42.2	174.1	-72	-53.3	0	0	0	112.3	D222 L223 Q228 L229 L230 Y245 K248	D222-D226 PolarHBondContact O-N 3.06Å; L223-D226 HydrophobicContact CD1-CB 4.46Å; D226-Q228 VanDerWaalsContact C-N 3.34Å; D226-Q228 PolarHBondContact O-N 2.77Å; D226-L229 PolarHBondContact O-N 2.76Å; D226-L230 PolarHBondContact O-N 2.79Å; D226-Y245 HydrophobicContact CB-CD2 4.15Å; D226-Y245 HydrophobicContact CB-CE2 4.23Å; D226-K248 HydrophobicContact CB-CD 4.29Å; D226-K248 IonicContact OD1-NZ 2.78Å; D226-K248 PolarHBondContact OD1-NZ 2.86Å; D226-K248 WeakPolarHBondContact OD2-CD 3.36Å; D226-K248 IonicContact OD2-NZ 2.9Å
227	A	96.2	Very high	89.6	Confident	0 Å²	0	59 Å²	59	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-60.7	-41.8	175.5	0	0	0	0	0	112	L105 A108 L223 F224 L225 L230 Q231 Y245	L105-A227 HydrophobicContact CD2-CB 3.89Å; L105-A227 HydrophobicContact CG-CB 4.38Å; A108-A227 HydrophobicContact CB-CB 4.23Å; L223-A227 WeakPolarHBondContact O-CB 3.44Å; L223-A227 PolarHBondContact O-N 2.91Å; F224-A227 PolarHBondContact O-N 2.97Å; L225-A227 VanDerWaalsContact C-N 3.31Å; L225-A227 PolarHBondContact O-N 3.45Å; A227-L230 PolarHBondContact O-N 3.11Å; A227-Q231 WeakPolarHBondContact O-CG 3.33Å; A227-Q231 PolarHBondContact O-N 3.32Å; A227-Y245 HydrophobicContact CB-CE2 4Å
228	Q	94.6	Very high	89	Confident	53 Å²	53	59.7 Å²	59.7	25%	0.248	35%	0.353	C	S	.	.	H	α-helix	trans	-66.5	-39.9	175.1	-72.8	-166.2	-67.9	0	0	112.9	A108 P109 F224 L225 D226 L230 Q231 R232	A108-Q228 HydrophobicContact CB-CG 3.8Å; P109-Q228 HydrophobicContact CB-CG 4.35Å; F224-Q228 WeakPolarHBondContact O-CG 3.43Å; F224-Q228 PolarHBondContact O-N 2.84Å; L225-Q228 PolarHBondContact O-N 2.94Å; L225-Q228 VanDerWaalsContact O-N 3.16Å; D226-Q228 VanDerWaalsContact C-N 3.34Å; D226-Q228 PolarHBondContact O-N 2.77Å; Q228-L230 VanDerWaalsContact C-N 3.34Å; Q228-Q231 PolarHBondContact O-N 2.94Å; Q228-R232 WeakPolarHBondContact O-CG 3.45Å; Q228-R232 PolarHBondContact O-N 3.23Å
229	L	93.7	Very high	88.6	Confident	86 Å²	86	63.6 Å²	63.6	45%	0.45	37%	0.373	S	S	.	.	H	α-helix	trans	-61.1	-46.2	176.7	-70.6	173.5	0	0	0	110.3	L225 D226 Q231 R232 T233	L225-L229 HydrophobicContact CG-CD1 4.46Å; L225-L229 WeakPolarHBondContact O-CG 3.49Å; L225-L229 PolarHBondContact O-N 3.15Å; D226-L229 PolarHBondContact O-N 2.76Å; L229-Q231 VanDerWaalsContact C-N 3.33Å; L229-Q231 PolarHBondContact O-N 3.05Å; L229-R232 PolarHBondContact O-N 2.89Å; L229-R232 VanDerWaalsContact O-N 3.15Å; L229-T233 PolarHBondContact O-N 3.27Å; L229-T233 VanDerWaalsContact O-N 3.1Å; L229-T233 PolarHBondContact O-OG1 2.97Å; L229-T233 VanDerWaalsContact O-OG1 3.07Å
230	L	93.7	Very high	88.3	Confident	24 Å²	24	66.9 Å²	66.9	13%	0.126	39%	0.388	C	S	.	.	H	α-helix	trans	-60.8	-41.3	176.6	-171.4	64.3	0	0	0	112.3	L105 D226 A227 Q228 R232 T233 G234 A237 D241 Y242 Y245	L105-L230 HydrophobicContact CD1-CD2 4.41Å; L105-L230 HydrophobicContact CD2-CB 4.41Å; L105-L230 HydrophobicContact CD2-CD2 3.99Å; D226-L230 PolarHBondContact O-N 2.79Å; A227-L230 PolarHBondContact O-N 3.11Å; Q228-L230 VanDerWaalsContact C-N 3.34Å; L230-R232 VanDerWaalsContact C-N 3.32Å; L230-R232 PolarHBondContact O-N 3.01Å; L230-T233 PolarHBondContact O-N 3.23Å; L230-G234 PolarHBondContact O-N 3.47Å; L230-A237 HydrophobicContact CD1-CB 3.9Å; L230-D241 HydrophobicContact CD1-CB 3.83Å; L230-Y242 HydrophobicContact CD2-CD2 4.02Å; L230-Y245 HydrophobicContact CD2-CD1 3.91Å; L230-Y245 HydrophobicContact CD2-CD2 4.38Å; L230-Y245 HydrophobicContact CD2-CG 3.79Å
231	Q	90.4	Very high	88.1	Confident	99 Å²	99	66.6 Å²	66.6	46%	0.463	38%	0.381	S	S	.	.	H	α-helix	trans	-63.1	-35.8	175.6	-76.6	178.4	-21.8	0	0	113.2	L105 A227 Q228 L229 G234	L105-Q231 HydrophobicContact CD2-CG 4.21Å; L105-Q231 PolarHBondContact O-NE2 2.66Å; A227-Q231 WeakPolarHBondContact O-CG 3.33Å; A227-Q231 PolarHBondContact O-N 3.32Å; Q228-Q231 PolarHBondContact O-N 2.94Å; L229-Q231 VanDerWaalsContact C-N 3.33Å; L229-Q231 PolarHBondContact O-N 3.05Å; Q231-G234 PolarHBondContact O-N 3.26Å
232	R	87.8	Confident	87.9	Confident	194 Å²	194	68.3 Å²	68.3	73%	0.732	39%	0.386	S	S	*	.	H	α-helix	trans	-71.5	-32.7	177.7	-73.5	175.6	-179.3	-175.3	2	112.6	Q228 L229 L230 G234	Q228-R232 WeakPolarHBondContact O-CG 3.45Å; Q228-R232 PolarHBondContact O-N 3.23Å; L229-R232 PolarHBondContact O-N 2.89Å; L229-R232 VanDerWaalsContact O-N 3.15Å; L230-R232 VanDerWaalsContact C-N 3.32Å; L230-R232 PolarHBondContact O-N 3.01Å; R232-G234 PolarHBondContact O-N 3.45Å
233	T	84.1	Confident	87.7	Confident	71 Å²	71	70.6 Å²	70.6	44%	0.436	39%	0.388	S	S	.	.	H	α-helix	trans	-63.6	-22.5	172.8	-47.3	0	0	0	0	111.6	L229 L230 G236 A237	L229-T233 PolarHBondContact O-N 3.27Å; L229-T233 VanDerWaalsContact O-N 3.1Å; L229-T233 PolarHBondContact O-OG1 2.97Å; L229-T233 VanDerWaalsContact O-OG1 3.07Å; L230-T233 PolarHBondContact O-N 3.23Å; T233-G236 PolarHBondContact O-N 3.41Å; T233-G236 VanDerWaalsContact O-N 3.14Å; T233-A237 HydrophobicContact CG2-CB 4.13Å
234	G	71.7	Confident	87.5	Confident	41 Å²	41	75.5 Å²	75.5	42%	0.423	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	59.5	-140.1	169.2	0	0	0	0	0	113	L230 Q231 R232 G236 A237	L230-G234 PolarHBondContact O-N 3.47Å; Q231-G234 PolarHBondContact O-N 3.26Å; R232-G234 PolarHBondContact O-N 3.45Å; G234-G236 PolarHBondContact O-N 3.43Å; G234-G236 VanDerWaalsContact O-N 3.13Å; G234-A237 WeakPolarHBondContact O-CB 3.46Å; G234-A237 PolarHBondContact O-N 2.93Å; G234-A237 VanDerWaalsContact O-N 3.15Å
235	A	61.9	Low	87.5	Confident	119 Å²	119	75.9 Å²	75.9	98%	0.983	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-65.8	-8.8	177	0	0	0	0	0	114.1
236	G	67.4	Low	87.5	Confident	62 Å²	62	73.1 Å²	73.1	64%	0.639	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-84.3	-7.7	174.2	0	0	0	0	0	114	T233 G234 C238	T233-G236 PolarHBondContact O-N 3.41Å; T233-G236 VanDerWaalsContact O-N 3.14Å; G234-G236 PolarHBondContact O-N 3.43Å; G234-G236 VanDerWaalsContact O-N 3.13Å; G236-C238 PolarHBondContact O-N 2.94Å; G236-C238 VanDerWaalsContact O-N 3.13Å
237	A	71.7	Confident	87.5	Confident	36 Å²	36	74.2 Å²	74.2	30%	0.298	41%	0.411	S	S	.	.			trans	-64	115.3	178.1	0	0	0	0	0	109.8	L230 T233 G234 D241	L230-A237 HydrophobicContact CD1-CB 3.9Å; T233-A237 HydrophobicContact CG2-CB 4.13Å; G234-A237 WeakPolarHBondContact O-CB 3.46Å; G234-A237 PolarHBondContact O-N 2.93Å; G234-A237 VanDerWaalsContact O-N 3.15Å; A237-D241 WeakPolarHBondContact CA-OD2 3.34Å; A237-D241 HydrophobicContact CB-CB 4.37Å
238	C	82.7	Confident	87.6	Confident	74 Å²	74	78.6 Å²	78.6	50%	0.5	43%	0.43	S	S	.	.			trans	-68.4	158.1	175.5	-171.1	0	0	0	0	109.5	G236 E240 D241 Y242	G236-C238 PolarHBondContact O-N 2.94Å; G236-C238 VanDerWaalsContact O-N 3.13Å; C238-E240 HydrophobicContact CB-CB 4.35Å; C238-E240 PolarHBondContact O-N 3.35Å; C238-D241 PolarHBondContact N-OD2 3.39Å; C238-D241 WeakPolarHBondContact O-CB 3.44Å; C238-D241 PolarHBondContact O-N 3.16Å; C238-Y242 PolarHBondContact O-N 3.17Å
239	Q	87	Confident	87.8	Confident	154 Å²	154	76 Å²	76	72%	0.72	42%	0.418	S	S	*	.	H	α-helix	trans	-51.5	-29.1	167	-175.8	174.1	0.5	0	0	111.8	R243	Q239-R243 WeakPolarHBondContact O-CB 3.29Å; Q239-R243 PolarHBondContact O-N 3.05Å
240	E	90.9	Very high	87.9	Confident	81 Å²	81	74.9 Å²	74.9	38%	0.379	41%	0.41	S	S	.	.	H	α-helix	trans	-69.4	-37.9	175.4	-166.5	56	-148.7	0	0	113	C238 Y242 R243 Q244	C238-E240 HydrophobicContact CB-CB 4.35Å; C238-E240 PolarHBondContact O-N 3.35Å; E240-Y242 VanDerWaalsContact C-N 3.34Å; E240-Y242 PolarHBondContact O-N 3.05Å; E240-R243 PolarHBondContact O-N 3.39Å; E240-R243 IonicContact OE2-CZ 3.46Å; E240-R243 IonicContact OE2-NH1 2.67Å; E240-R243 PolarHBondContact OE2-NH1 3.03Å; E240-Q244 WeakPolarHBondContact O-CG 3.48Å; E240-Q244 PolarHBondContact O-N 3.07Å
241	D	92.3	Very high	88.1	Confident	54 Å²	54	81.1 Å²	81.1	29%	0.289	43%	0.432	S	S	.	.	H	α-helix	trans	-64.7	-41.4	176.8	-61.6	-34.4	0	0	0	110.9	L230 A237 C238 Q244 Y245	L230-D241 HydrophobicContact CD1-CB 3.83Å; A237-D241 WeakPolarHBondContact CA-OD2 3.34Å; A237-D241 HydrophobicContact CB-CB 4.37Å; C238-D241 PolarHBondContact N-OD2 3.39Å; C238-D241 WeakPolarHBondContact O-CB 3.44Å; C238-D241 PolarHBondContact O-N 3.16Å; D241-Q244 PolarHBondContact O-N 2.91Å; D241-Y245 WeakPolarHBondContact O-CB 3.18Å; D241-Y245 PolarHBondContact O-N 3.21Å
242	Y	92.6	Very high	88.5	Confident	65 Å²	65	76.7 Å²	76.7	26%	0.255	41%	0.411	S	S	.	.	H	α-helix	trans	-67.7	-37.8	175.1	-173.9	-104.6	0	0	0	111.8	D102 L105 L230 C238 E240 Y245 Q246	D102-Y242 PolarHBondContact OD1-OH 2.9Å; L105-Y242 HydrophobicContact CD1-CE2 4.14Å; L230-Y242 HydrophobicContact CD2-CD2 4.02Å; C238-Y242 PolarHBondContact O-N 3.17Å; E240-Y242 VanDerWaalsContact C-N 3.34Å; E240-Y242 PolarHBondContact O-N 3.05Å; Y242-Y245 HydrophobicContact CD2-CD1 4.4Å; Y242-Y245 HydrophobicContact CE2-CD1 4.38Å; Y242-Y245 WeakPolarHBondContact O-CB 3.44Å; Y242-Y245 PolarHBondContact O-N 3.17Å; Y242-Q246 HydrophobicContact CD1-CG 4.18Å; Y242-Q246 VanDerWaalsContact CE1-CD 3.41Å; Y242-Q246 HydrophobicContact CE1-CG 3.9Å; Y242-Q246 WeakPolarHBondContact O-CG 3.34Å; Y242-Q246 PolarHBondContact O-N 3.49Å
243	R	93.5	Very high	89	Confident	139 Å²	139	67.6 Å²	67.6	53%	0.525	38%	0.378	S	S	.	.	H	α-helix	trans	-63	-43.8	174.4	-177.8	-175.7	-75.5	162.7	-10.2	111.6	Q239 E240 Y245 Q246 A247	Q239-R243 WeakPolarHBondContact O-CB 3.29Å; Q239-R243 PolarHBondContact O-N 3.05Å; E240-R243 PolarHBondContact O-N 3.39Å; E240-R243 IonicContact OE2-CZ 3.46Å; E240-R243 IonicContact OE2-NH1 2.67Å; E240-R243 PolarHBondContact OE2-NH1 3.03Å; R243-Y245 VanDerWaalsContact C-N 3.33Å; R243-Q246 PolarHBondContact O-N 3.4Å; R243-A247 PolarHBondContact O-N 3.03Å
244	Q	95.4	Very high	89.6	Confident	104 Å²	104	67.7 Å²	67.7	49%	0.486	37%	0.373	S	S	.	.	H	α-helix	trans	-62.3	-41.9	174.6	-71.9	178.1	14.9	0	0	111.5	E240 D241 Q246 A247 K248	E240-Q244 WeakPolarHBondContact O-CG 3.48Å; E240-Q244 PolarHBondContact O-N 3.07Å; D241-Q244 PolarHBondContact O-N 2.91Å; Q244-Q246 PolarHBondContact O-N 3.48Å; Q244-A247 PolarHBondContact O-N 2.65Å; Q244-K248 WeakPolarHBondContact O-CG 3.28Å; Q244-K248 PolarHBondContact O-N 3.3Å
245	Y	96.3	Very high	90.8	Very high	8 Å²	8	68.9 Å²	68.9	3%	0.031	37%	0.366	C	S	.	.	H	α-helix	trans	-59.5	-45.3	173.6	175.6	-106.5	0	0	0	111.9	G101 Y104 L105 L223 D226 A227 L230 D241 Y242 R243 A247 K248 V249	G101-Y245 PolarHBondContact O-OH 3.26Å; G101-Y245 VanDerWaalsContact O-OH 3.05Å; Y104-Y245 WeakPolarHBondContact CB-OH 3.37Å; L105-Y245 HydrophobicContact CD1-CD1 4.29Å; L105-Y245 HydrophobicContact CD1-CE1 3.68Å; L105-Y245 HydrophobicContact CD2-CE1 4.32Å; L105-Y245 HydrophobicContact CG-CE1 3.81Å; L223-Y245 HydrophobicContact CD1-CD2 4.26Å; L223-Y245 HydrophobicContact CD1-CE2 3.61Å; L223-Y245 HydrophobicContact CG-CE2 4.41Å; D226-Y245 HydrophobicContact CB-CD2 4.15Å; D226-Y245 HydrophobicContact CB-CE2 4.23Å; A227-Y245 HydrophobicContact CB-CE2 4Å; L230-Y245 HydrophobicContact CD2-CD1 3.91Å; L230-Y245 HydrophobicContact CD2-CD2 4.38Å; L230-Y245 HydrophobicContact CD2-CG 3.79Å; D241-Y245 WeakPolarHBondContact O-CB 3.18Å; D241-Y245 PolarHBondContact O-N 3.21Å; Y242-Y245 HydrophobicContact CD2-CD1 4.4Å; Y242-Y245 HydrophobicContact CE2-CD1 4.38Å; Y242-Y245 WeakPolarHBondContact O-CB 3.44Å; Y242-Y245 PolarHBondContact O-N 3.17Å; R243-Y245 VanDerWaalsContact C-N 3.33Å; Y245-A247 VanDerWaalsContact C-N 3.33Å; Y245-A247 PolarHBondContact O-N 3.47Å; Y245-K248 CarbonylContact O-C 3.54Å; Y245-K248 WeakPolarHBondContact O-CA 3.46Å; Y245-K248 WeakPolarHBondContact O-CB 3.25Å; Y245-K248 PolarHBondContact O-N 3.5Å; Y245-K248 VanDerWaalsContact O-N 3.07Å; Y245-V249 HydrophobicContact CD1-CG2 4.17Å; Y245-V249 HydrophobicContact CE1-CG2 3.73Å; Y245-V249 HydrophobicContact CE2-CG2 4.26Å; Y245-V249 WeakPolarHBondContact O-CG2 3.18Å; Y245-V249 PolarHBondContact O-N 2.92Å
246	Q	96.3	Very high	92.6	Very high	39 Å²	39	63.8 Å²	63.8	18%	0.182	32%	0.322	C	S	.	.	H	α-helix	trans	-59.9	-41.2	176.2	-73.7	-175.3	-35.3	0	0	112.6	Y242 R243 Q244 K248 V249 E250	Y242-Q246 HydrophobicContact CD1-CG 4.18Å; Y242-Q246 VanDerWaalsContact CE1-CD 3.41Å; Y242-Q246 HydrophobicContact CE1-CG 3.9Å; Y242-Q246 WeakPolarHBondContact O-CG 3.34Å; Y242-Q246 PolarHBondContact O-N 3.49Å; R243-Q246 PolarHBondContact O-N 3.4Å; Q244-Q246 PolarHBondContact O-N 3.48Å; Q246-K248 VanDerWaalsContact C-N 3.29Å; Q246-K248 PolarHBondContact O-N 3.48Å; Q246-V249 WeakPolarHBondContact O-CB 3.29Å; Q246-V249 PolarHBondContact O-N 3.02Å; Q246-V249 VanDerWaalsContact O-N 3.14Å; Q246-E250 PolarHBondContact O-N 2.84Å
247	A	97.4	Very high	93.9	Very high	56 Å²	56	61.2 Å²	61.2	46%	0.463	29%	0.294	S	S	.	.	H	α-helix	trans	-62.1	-37.1	174.2	0	0	0	0	0	112.2	R243 Q244 Y245 E250 W251	R243-A247 PolarHBondContact O-N 3.03Å; Q244-A247 PolarHBondContact O-N 2.65Å; Y245-A247 VanDerWaalsContact C-N 3.33Å; Y245-A247 PolarHBondContact O-N 3.47Å; A247-E250 PolarHBondContact O-N 2.88Å; A247-W251 WeakPolarHBondContact O-CB 3.43Å; A247-W251 PolarHBondContact O-N 2.64Å
248	K	98.2	Very high	95.2	Very high	91 Å²	91	64.1 Å²	64.1	40%	0.396	30%	0.301	S	S	.	.	H	α-helix	trans	-67.6	-35.6	173.3	-67.9	179.6	177.2	-177.4	0	112.6	L223 D226 Q244 Y245 Q246 W251 Q252	L223-K248 HydrophobicContact CD1-CB 4.2Å; D226-K248 HydrophobicContact CB-CD 4.29Å; D226-K248 IonicContact OD1-NZ 2.78Å; D226-K248 PolarHBondContact OD1-NZ 2.86Å; D226-K248 WeakPolarHBondContact OD2-CD 3.36Å; D226-K248 IonicContact OD2-NZ 2.9Å; Q244-K248 WeakPolarHBondContact O-CG 3.28Å; Q244-K248 PolarHBondContact O-N 3.3Å; Y245-K248 CarbonylContact O-C 3.54Å; Y245-K248 WeakPolarHBondContact O-CA 3.46Å; Y245-K248 WeakPolarHBondContact O-CB 3.25Å; Y245-K248 PolarHBondContact O-N 3.5Å; Y245-K248 VanDerWaalsContact O-N 3.07Å; Q246-K248 VanDerWaalsContact C-N 3.29Å; Q246-K248 PolarHBondContact O-N 3.48Å; K248-W251 PolarHBondContact O-N 2.92Å; K248-Q252 VanDerWaalsContact O-CB 3.3Å; K248-Q252 WeakPolarHBondContact O-CB 3.16Å; K248-Q252 PolarHBondContact O-N 3.01Å
249	V	98	Very high	95.8	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-60.4	-51.1	173.6	175.7	0	0	0	0	110.3	Y97 I100 L223 Y245 Q246 W251 Q252 V253	Y97-V249 HydrophobicContact CD1-CG1 4.4Å; Y97-V249 WeakPolarHBondContact O-CG1 3.45Å; I100-V249 HydrophobicContact CB-CG1 4.07Å; I100-V249 HydrophobicContact CG2-CG1 3.73Å; L223-V249 HydrophobicContact CD1-CB 4.49Å; L223-V249 HydrophobicContact CD1-CG2 3.83Å; L223-V249 HydrophobicContact CD2-CB 4.3Å; L223-V249 HydrophobicContact CD2-CG1 4.37Å; L223-V249 HydrophobicContact CD2-CG2 4.04Å; L223-V249 HydrophobicContact CG-CG2 4.46Å; Y245-V249 HydrophobicContact CD1-CG2 4.17Å; Y245-V249 HydrophobicContact CE1-CG2 3.73Å; Y245-V249 HydrophobicContact CE2-CG2 4.26Å; Y245-V249 WeakPolarHBondContact O-CG2 3.18Å; Y245-V249 PolarHBondContact O-N 2.92Å; Q246-V249 WeakPolarHBondContact O-CB 3.29Å; Q246-V249 PolarHBondContact O-N 3.02Å; Q246-V249 VanDerWaalsContact O-N 3.14Å; V249-W251 PolarHBondContact O-N 3.16Å; V249-Q252 PolarHBondContact O-N 2.97Å; V249-V253 VanDerWaalsContact O-CG2 3.31Å; V249-V253 WeakPolarHBondContact O-CG2 3.34Å; V249-V253 PolarHBondContact O-N 2.84Å
250	E	97.4	Very high	96.3	Very high	62 Å²	62	57 Å²	57	29%	0.29	26%	0.261	S	S	.	.	H	α-helix	trans	-57.2	-48.6	177.5	-73	175.3	-155.2	0	0	111.5	Q94 Y97 Q246 A247 Q252 V253 E254	Q94-E250 PolarHBondContact NE2-OE1 3.02Å; Y97-E250 HydrophobicContact CD1-CB 4.3Å; Y97-E250 HydrophobicContact CD1-CG 3.68Å; Y97-E250 HydrophobicContact CD2-CG 3.7Å; Y97-E250 HydrophobicContact CE1-CB 4.32Å; Y97-E250 HydrophobicContact CE1-CG 4.04Å; Y97-E250 HydrophobicContact CE2-CG 4.07Å; Y97-E250 HydrophobicContact CG-CG 3.48Å; Y97-E250 VanDerWaalsContact CG-CG 3.48Å; Q246-E250 PolarHBondContact O-N 2.84Å; A247-E250 PolarHBondContact O-N 2.88Å; E250-Q252 PolarHBondContact O-N 3.26Å; E250-V253 PolarHBondContact O-N 2.87Å; E250-E254 PolarHBondContact O-N 3.43Å
251	W	98.1	Very high	96.5	Very high	154 Å²	154	58 Å²	58	58%	0.583	26%	0.261	S	S	*	.	H	α-helix	trans	-60.5	-45.9	178.9	-178.9	85.9	0	0	0	112.8	A247 K248 V249 V253 E254 K255	A247-W251 WeakPolarHBondContact O-CB 3.43Å; A247-W251 PolarHBondContact O-N 2.64Å; K248-W251 PolarHBondContact O-N 2.92Å; V249-W251 PolarHBondContact O-N 3.16Å; W251-V253 PolarHBondContact O-N 2.67Å; W251-E254 PolarHBondContact O-N 3.03Å; W251-K255 HydrophobicContact CH2-CD 3.69Å; W251-K255 HydrophobicContact CZ2-CD 4.27Å; W251-K255 HydrophobicContact CZ3-CD 3.86Å; W251-K255 WeakPolarHBondContact O-CB 3.23Å; W251-K255 PolarHBondContact O-N 3.41Å
252	Q	98.4	Very high	96.5	Very high	6 Å²	6	60 Å²	60	3%	0.028	27%	0.269	C	S	.	.	H	α-helix	trans	-63.6	-42.4	-179.6	-175.4	73	4.6	0	0	111.5	L223 K248 V249 E250 K255 H256	L223-Q252 HydrophobicContact CB-CB 4.29Å; L223-Q252 HydrophobicContact CB-CG 3.93Å; L223-Q252 HydrophobicContact CD2-CB 3.99Å; L223-Q252 HydrophobicContact CD2-CG 4.08Å; K248-Q252 VanDerWaalsContact O-CB 3.3Å; K248-Q252 WeakPolarHBondContact O-CB 3.16Å; K248-Q252 PolarHBondContact O-N 3.01Å; V249-Q252 PolarHBondContact O-N 2.97Å; E250-Q252 PolarHBondContact O-N 3.26Å; Q252-K255 WeakPolarHBondContact O-CB 3.19Å; Q252-K255 PolarHBondContact O-N 3.18Å; Q252-H256 PolarHBondContact NE2-CE1 3.39Å; Q252-H256 VanDerWaalsContact NE2-CE1 3.34Å; Q252-H256 PolarHBondContact NE2-NE2 3.05Å; Q252-H256 VanDerWaalsContact O-CG 3.31Å; Q252-H256 PolarHBondContact O-N 3.23Å; Q252-H256 PolarHBondContact O-ND1 3.22Å
253	V	97.2	Very high	96.5	Very high	4 Å²	4	61 Å²	61	2%	0.024	28%	0.278	C	S	.	.	H	α-helix	trans	-66	-41.7	178.3	171.9	0	0	0	0	110.7	Y97 I100 V249 E250 W251 H256 K257	Y97-V253 HydrophobicContact CD1-CG2 4.47Å; Y97-V253 HydrophobicContact CE1-CB 3.9Å; Y97-V253 HydrophobicContact CE1-CG1 3.87Å; Y97-V253 HydrophobicContact CE1-CG2 4.31Å; I100-V253 HydrophobicContact CD1-CG2 4.2Å; I100-V253 HydrophobicContact CG2-CG2 4.09Å; V249-V253 VanDerWaalsContact O-CG2 3.31Å; V249-V253 WeakPolarHBondContact O-CG2 3.34Å; V249-V253 PolarHBondContact O-N 2.84Å; E250-V253 PolarHBondContact O-N 2.87Å; W251-V253 PolarHBondContact O-N 2.67Å; V253-H256 PolarHBondContact O-N 2.97Å; V253-K257 HydrophobicContact CG1-CD 4.27Å; V253-K257 WeakPolarHBondContact O-CB 3.48Å; V253-K257 WeakPolarHBondContact O-CG 3.4Å; V253-K257 PolarHBondContact O-N 3.31Å
254	E	97.1	Very high	96.4	Very high	73 Å²	73	58.2 Å²	58.2	34%	0.341	27%	0.271	S	S	.	.	H	α-helix	trans	-67.7	-37.8	177.1	-169.1	53.9	-140.5	0	0	112.1	E250 W251 K257 Q258 R261	E250-E254 PolarHBondContact O-N 3.43Å; W251-E254 PolarHBondContact O-N 3.03Å; E254-K257 WeakPolarHBondContact O-CB 3.22Å; E254-K257 PolarHBondContact O-N 3.44Å; E254-K257 WeakPolarHBondContact OE2-CD 3.37Å; E254-Q258 WeakPolarHBondContact O-CB 3.4Å; E254-Q258 PolarHBondContact O-N 3.16Å; E254-R261 IonicContact OE1-CZ 2.66Å; E254-R261 IonicContact OE1-NH1 2.84Å; E254-R261 PolarHBondContact OE1-NH1 3.36Å; E254-R261 IonicContact OE1-NH2 3.54Å; E254-R261 PolarHBondContact OE1-NH2 3.13Å
255	K	97.9	Very high	96.1	Very high	65 Å²	65	56.9 Å²	56.9	28%	0.283	27%	0.273	S	S	.	.	H	α-helix	trans	-56	-51.6	171.2	174.4	-176.7	170.3	-174.1	0	111.2	W251 Q252 K257 Q258 E259	W251-K255 HydrophobicContact CH2-CD 3.69Å; W251-K255 HydrophobicContact CZ2-CD 4.27Å; W251-K255 HydrophobicContact CZ3-CD 3.86Å; W251-K255 WeakPolarHBondContact O-CB 3.23Å; W251-K255 PolarHBondContact O-N 3.41Å; Q252-K255 WeakPolarHBondContact O-CB 3.19Å; Q252-K255 PolarHBondContact O-N 3.18Å; K255-K257 PolarHBondContact O-N 3.14Å; K255-Q258 PolarHBondContact O-N 2.89Å; K255-E259 WeakPolarHBondContact CE-OE1 3.36Å; K255-E259 WeakPolarHBondContact O-CG 3.4Å; K255-E259 PolarHBondContact O-N 2.93Å
256	H	98.2	Very high	95.8	Very high	12 Å²	12	60.7 Å²	60.7	6%	0.056	29%	0.294	C	S	.	.	H	α-helix	trans	-63.2	-39	177.8	-67.2	156.4	0	0	0	112.7	E136 V137 F138 G139 Q252 V253 Q258 E259 L260	E136-H256 WeakPolarHBondContact O-CB 3.37Å; E136-H256 PolarHBondContact O-ND1 3.38Å; V137-H256 PolarHBondContact O-CE1 3.16Å; V137-H256 PolarHBondContact O-ND1 2.79Å; V137-H256 VanDerWaalsContact O-ND1 3.07Å; F138-H256 VanDerWaalsContact C-CE1 3.5Å; G139-H256 PolarHBondContact N-CE1 2.86Å; G139-H256 PolarHBondContact N-ND1 3.37Å; Q252-H256 PolarHBondContact NE2-CE1 3.39Å; Q252-H256 VanDerWaalsContact NE2-CE1 3.34Å; Q252-H256 PolarHBondContact NE2-NE2 3.05Å; Q252-H256 VanDerWaalsContact O-CG 3.31Å; Q252-H256 PolarHBondContact O-N 3.23Å; Q252-H256 PolarHBondContact O-ND1 3.22Å; V253-H256 PolarHBondContact O-N 2.97Å; H256-Q258 VanDerWaalsContact C-N 3.32Å; H256-Q258 PolarHBondContact O-N 3.2Å; H256-E259 IonicContact CD2-OE2 2.72Å; H256-E259 PolarHBondContact O-N 3.19Å; H256-L260 VanDerWaalsContact O-CB 3.31Å; H256-L260 WeakPolarHBondContact O-CB 3.48Å; H256-L260 PolarHBondContact O-N 3.28Å
257	K	96.3	Very high	95.3	Very high	9 Å²	9	67.3 Å²	67.3	4%	0.039	32%	0.318	C	S	.	.	H	α-helix	trans	-59.7	-44.3	174.3	-78	173.1	176.7	174.9	0	111.1	D92 E136 V253 E254 K255 L260 R261	D92-K257 IonicContact OD1-NZ 3.84Å; D92-K257 PolarHBondContact OD1-NZ 2.79Å; D92-K257 IonicContact OD2-NZ 3.98Å; D92-K257 PolarHBondContact OD2-NZ 2.97Å; E136-K257 HydrophobicContact CB-CG 3.9Å; E136-K257 HydrophobicContact CG-CG 3.71Å; V253-K257 HydrophobicContact CG1-CD 4.27Å; V253-K257 WeakPolarHBondContact O-CB 3.48Å; V253-K257 WeakPolarHBondContact O-CG 3.4Å; V253-K257 PolarHBondContact O-N 3.31Å; E254-K257 WeakPolarHBondContact O-CB 3.22Å; E254-K257 PolarHBondContact O-N 3.44Å; E254-K257 WeakPolarHBondContact OE2-CD 3.37Å; K255-K257 PolarHBondContact O-N 3.14Å; K257-L260 PolarHBondContact O-N 3.42Å; K257-R261 WeakPolarHBondContact O-CG 3.43Å; K257-R261 PolarHBondContact O-N 2.82Å
258	Q	97.6	Very high	94.8	Very high	97 Å²	97	67.1 Å²	67.1	45%	0.453	32%	0.316	S	S	.	.	H	α-helix	trans	-63.2	-50.7	176.9	-178	176.5	-13.4	0	0	111.6	E254 K255 H256 L260 R261 E262	E254-Q258 WeakPolarHBondContact O-CB 3.4Å; E254-Q258 PolarHBondContact O-N 3.16Å; K255-Q258 PolarHBondContact O-N 2.89Å; H256-Q258 VanDerWaalsContact C-N 3.32Å; H256-Q258 PolarHBondContact O-N 3.2Å; Q258-L260 PolarHBondContact O-N 3.42Å; Q258-R261 PolarHBondContact O-N 3.24Å; Q258-R261 VanDerWaalsContact O-N 3.14Å; Q258-E262 HydrophobicContact CG-CG 4.47Å; Q258-E262 WeakPolarHBondContact CG-OE1 3.37Å; Q258-E262 PolarHBondContact NE2-OE1 3.4Å; Q258-E262 WeakPolarHBondContact O-CG 3.23Å; Q258-E262 PolarHBondContact O-N 2.95Å
259	E	96.8	Very high	94.4	Very high	68 Å²	68	70 Å²	70	32%	0.318	33%	0.325	S	S	.	.	H	α-helix	trans	-56.2	-39.2	176.8	-71.6	171.7	-177.8	0	0	111.8	K255 H256 N263	K255-E259 WeakPolarHBondContact CE-OE1 3.36Å; K255-E259 WeakPolarHBondContact O-CG 3.4Å; K255-E259 PolarHBondContact O-N 2.93Å; H256-E259 IonicContact CD2-OE2 2.72Å; H256-E259 PolarHBondContact O-N 3.19Å; E259-N263 WeakPolarHBondContact O-CB 3.28Å; E259-N263 PolarHBondContact O-N 3.13Å; E259-N263 PolarHBondContact O-ND2 3.39Å
260	L	95.6	Very high	93.9	Very high	11 Å²	11	76.2 Å²	76.2	6%	0.058	35%	0.353	C	S	.	.	H	α-helix	trans	-66.7	-46.4	177	-174.2	61.2	0	0	0	111.9	R132 K135 E136 T140 H256 K257 Q258 E262 N263 E264	R132-L260 HydrophobicContact CG-CD2 3.87Å; K135-L260 HydrophobicContact CB-CD1 4.39Å; K135-L260 HydrophobicContact CB-CD2 4.03Å; K135-L260 HydrophobicContact CD-CD1 4.16Å; E136-L260 HydrophobicContact CG-CD2 3.87Å; T140-L260 HydrophobicContact CG2-CD1 3.91Å; H256-L260 VanDerWaalsContact O-CB 3.31Å; H256-L260 WeakPolarHBondContact O-CB 3.48Å; H256-L260 PolarHBondContact O-N 3.28Å; K257-L260 PolarHBondContact O-N 3.42Å; Q258-L260 PolarHBondContact O-N 3.42Å; L260-E262 VanDerWaalsContact C-N 3.31Å; L260-E262 PolarHBondContact O-N 3.49Å; L260-N263 PolarHBondContact O-N 3.27Å; L260-E264 WeakPolarHBondContact O-CG 3.5Å; L260-E264 PolarHBondContact O-N 3.47Å
261	R	95	Very high	93.6	Very high	102 Å²	102	74.8 Å²	74.8	39%	0.385	35%	0.351	S	S	.	.	H	α-helix	trans	-59.6	-41.6	176.4	-72.7	-175.8	-60.4	-107.9	4.5	112	E254 K257 Q258 E264 S265	E254-R261 IonicContact OE1-CZ 2.66Å; E254-R261 IonicContact OE1-NH1 2.84Å; E254-R261 PolarHBondContact OE1-NH1 3.36Å; E254-R261 IonicContact OE1-NH2 3.54Å; E254-R261 PolarHBondContact OE1-NH2 3.13Å; K257-R261 WeakPolarHBondContact O-CG 3.43Å; K257-R261 PolarHBondContact O-N 2.82Å; Q258-R261 PolarHBondContact O-N 3.24Å; Q258-R261 VanDerWaalsContact O-N 3.14Å; R261-E264 PolarHBondContact O-N 2.96Å; R261-S265 WeakPolarHBondContact O-CB 3.5Å; R261-S265 PolarHBondContact O-N 3.48Å; R261-S265 PolarHBondContact O-OG 3.21Å
262	E	94.1	Very high	93.2	Very high	96 Å²	96	73.2 Å²	73.2	45%	0.449	35%	0.354	S	S	.	.	H	α-helix	trans	-64.8	-43.4	177	-72.1	174.6	-170.7	0	0	111.2	Q258 L260 S265 N266	Q258-E262 HydrophobicContact CG-CG 4.47Å; Q258-E262 WeakPolarHBondContact CG-OE1 3.37Å; Q258-E262 PolarHBondContact NE2-OE1 3.4Å; Q258-E262 WeakPolarHBondContact O-CG 3.23Å; Q258-E262 PolarHBondContact O-N 2.95Å; L260-E262 VanDerWaalsContact C-N 3.31Å; L260-E262 PolarHBondContact O-N 3.49Å; E262-S265 PolarHBondContact O-N 3.02Å; E262-N266 VanDerWaalsContact O-CB 3.29Å; E262-N266 WeakPolarHBondContact O-CB 3.33Å; E262-N266 PolarHBondContact O-N 3.23Å; E262-N266 PolarHBondContact O-ND2 3.07Å; E262-N266 VanDerWaalsContact O-ND2 3.15Å
263	N	91.8	Very high	92.8	Very high	84 Å²	84	76.9 Å²	76.9	45%	0.449	37%	0.373	S	S	.	.	H	α-helix	trans	-63.7	-43	176	-76.5	-39.8	0	0	0	112.9	E259 L260 N266 W267	E259-N263 WeakPolarHBondContact O-CB 3.28Å; E259-N263 PolarHBondContact O-N 3.13Å; E259-N263 PolarHBondContact O-ND2 3.39Å; L260-N263 PolarHBondContact O-N 3.27Å; N263-N266 PolarHBondContact O-N 2.88Å; N263-W267 WeakPolarHBondContact O-CB 3.28Å; N263-W267 PolarHBondContact O-N 3.4Å
264	E	90.6	Very high	92.5	Very high	82 Å²	82	85.5 Å²	85.5	38%	0.383	41%	0.405	S	S	.	.	H	α-helix	trans	-62.3	-44.8	175.7	-73.4	175.9	165.8	0	0	111.3	L260 R261 W267 A268	L260-E264 WeakPolarHBondContact O-CG 3.5Å; L260-E264 PolarHBondContact O-N 3.47Å; R261-E264 PolarHBondContact O-N 2.96Å; E264-W267 PolarHBondContact O-N 3.43Å; E264-A268 WeakPolarHBondContact O-CB 3.42Å; E264-A268 PolarHBondContact O-N 3.43Å
265	S	90.6	Very high	92.2	Very high	76 Å²	76	85.6 Å²	85.6	53%	0.531	41%	0.411	S	S	.	.	H	α-helix	trans	-63	-44.4	177.3	-58.6	0	0	0	0	111.7	R261 E262 W267 A268 Y269	R261-S265 WeakPolarHBondContact O-CB 3.5Å; R261-S265 PolarHBondContact O-N 3.48Å; R261-S265 PolarHBondContact O-OG 3.21Å; E262-S265 PolarHBondContact O-N 3.02Å; S265-W267 VanDerWaalsContact C-N 3.33Å; S265-W267 PolarHBondContact O-N 3.04Å; S265-A268 PolarHBondContact O-N 3.5Å; S265-Y269 WeakPolarHBondContact O-CB 3.47Å; S265-Y269 PolarHBondContact O-N 3.33Å
266	N	90.3	Very high	92	Very high	87 Å²	87	90 Å²	90	47%	0.465	43%	0.43	S	S	.	.	H	α-helix	trans	-63.4	-38.6	176.4	-76	-28.4	0	0	0	112.2	E262 N263 K270	E262-N266 VanDerWaalsContact O-CB 3.29Å; E262-N266 WeakPolarHBondContact O-CB 3.33Å; E262-N266 PolarHBondContact O-N 3.23Å; E262-N266 PolarHBondContact O-ND2 3.07Å; E262-N266 VanDerWaalsContact O-ND2 3.15Å; N263-N266 PolarHBondContact O-N 2.88Å; N266-K270 WeakPolarHBondContact O-CG 3.47Å; N266-K270 PolarHBondContact O-N 3.13Å
267	W	85.5	Confident	91.6	Very high	179 Å²	179	95.6 Å²	95.6	68%	0.678	46%	0.456	S	S	*	.	H	α-helix	trans	-65.6	-46.7	174.9	178.1	91.8	0	0	0	111.4	N263 E264 S265 Y269 K270 A271	N263-W267 WeakPolarHBondContact O-CB 3.28Å; N263-W267 PolarHBondContact O-N 3.4Å; E264-W267 PolarHBondContact O-N 3.43Å; S265-W267 VanDerWaalsContact C-N 3.33Å; S265-W267 PolarHBondContact O-N 3.04Å; W267-Y269 VanDerWaalsContact C-N 3.31Å; W267-Y269 PolarHBondContact O-N 3.44Å; W267-K270 PolarHBondContact O-N 3.47Å; W267-A271 WeakPolarHBondContact O-CB 3.43Å; W267-A271 PolarHBondContact O-N 3.48Å
268	A	86.3	Confident	91.4	Very high	52 Å²	52	99.6 Å²	99.6	43%	0.43	48%	0.477	S	S	.	.	H	α-helix	trans	-59.9	-42.7	178.3	0	0	0	0	0	111.4	E264 S265 A271 L272	E264-A268 WeakPolarHBondContact O-CB 3.42Å; E264-A268 PolarHBondContact O-N 3.43Å; S265-A268 PolarHBondContact O-N 3.5Å; A268-A271 PolarHBondContact O-N 3.33Å; A268-L272 PolarHBondContact O-N 2.93Å
269	Y	89.6	Confident	91.1	Very high	150 Å²	150	101.2 Å²	101.2	59%	0.588	49%	0.486	S	S	*	.	H	α-helix	trans	-59.6	-49.5	173.4	179.4	-104.8	0	0	0	112	S265 W267 A271 L272 L273	S265-Y269 WeakPolarHBondContact O-CB 3.47Å; S265-Y269 PolarHBondContact O-N 3.33Å; W267-Y269 VanDerWaalsContact C-N 3.31Å; W267-Y269 PolarHBondContact O-N 3.44Å; Y269-A271 VanDerWaalsContact C-N 3.31Å; Y269-A271 PolarHBondContact O-N 3.1Å; Y269-L272 WeakPolarHBondContact O-CB 3.49Å; Y269-L272 PolarHBondContact O-N 3.01Å; Y269-L273 HydrophobicContact CD1-CD1 3.72Å; Y269-L273 HydrophobicContact CD2-CD1 3.86Å; Y269-L273 HydrophobicContact CE1-CD1 3.42Å; Y269-L273 VanDerWaalsContact CE1-CD1 3.42Å; Y269-L273 HydrophobicContact CE2-CD1 3.56Å; Y269-L273 HydrophobicContact CG-CD1 3.93Å; Y269-L273 WeakPolarHBondContact O-CD1 3.39Å; Y269-L273 PolarHBondContact O-N 3.34Å
270	K	88.7	Confident	90.9	Very high	132 Å²	132	102.4 Å²	102.4	57%	0.574	49%	0.494	S	S	*	.	H	α-helix	trans	-61.1	-38.7	177	-74.2	173.8	-177.1	175.7	0	112.5	N266 W267 L273 R274	N266-K270 WeakPolarHBondContact O-CG 3.47Å; N266-K270 PolarHBondContact O-N 3.13Å; W267-K270 PolarHBondContact O-N 3.47Å; K270-L273 PolarHBondContact O-N 2.97Å; K270-R274 WeakPolarHBondContact O-CG 3.11Å; K270-R274 PolarHBondContact O-N 3.28Å; K270-R274 VanDerWaalsContact O-N 3.1Å
271	A	89.6	Confident	90.8	Very high	32 Å²	32	105.6 Å²	105.6	26%	0.264	51%	0.511	S	S	.	.	H	α-helix	trans	-63.2	-44.9	176	0	0	0	0	0	111.2	W267 A268 Y269 L273 R274 V275	W267-A271 WeakPolarHBondContact O-CB 3.43Å; W267-A271 PolarHBondContact O-N 3.48Å; A268-A271 PolarHBondContact O-N 3.33Å; Y269-A271 VanDerWaalsContact C-N 3.31Å; Y269-A271 PolarHBondContact O-N 3.1Å; A271-L273 VanDerWaalsContact C-N 3.34Å; A271-L273 PolarHBondContact O-N 3.04Å; A271-R274 WeakPolarHBondContact O-CB 3.25Å; A271-R274 PolarHBondContact O-N 3.38Å; A271-V275 WeakPolarHBondContact O-CG2 3.34Å; A271-V275 PolarHBondContact O-N 3.15Å
272	L	91	Very high	90.6	Very high	121 Å²	121	106.2 Å²	106.2	63%	0.634	52%	0.518	S	S	*	.	H	α-helix	trans	-57.7	-44.7	174.9	-170.7	84.6	0	0	0	111.8	A268 Y269 R274 V275 K276	A268-L272 PolarHBondContact O-N 2.93Å; Y269-L272 WeakPolarHBondContact O-CB 3.49Å; Y269-L272 PolarHBondContact O-N 3.01Å; L272-R274 VanDerWaalsContact C-N 3.34Å; L272-R274 PolarHBondContact O-N 3.16Å; L272-V275 PolarHBondContact O-N 2.7Å; L272-K276 PolarHBondContact O-N 3.49Å
273	L	90.1	Very high	90.5	Very high	83 Å²	83	109 Å²	109	44%	0.435	53%	0.526	S	S	.	.	H	α-helix	trans	-62.2	-39.6	176.8	-88.7	90.3	0	0	0	112.6	Y269 K270 A271 K276 H277	Y269-L273 HydrophobicContact CD1-CD1 3.72Å; Y269-L273 HydrophobicContact CD2-CD1 3.86Å; Y269-L273 HydrophobicContact CE1-CD1 3.42Å; Y269-L273 VanDerWaalsContact CE1-CD1 3.42Å; Y269-L273 HydrophobicContact CE2-CD1 3.56Å; Y269-L273 HydrophobicContact CG-CD1 3.93Å; Y269-L273 WeakPolarHBondContact O-CD1 3.39Å; Y269-L273 PolarHBondContact O-N 3.34Å; K270-L273 PolarHBondContact O-N 2.97Å; A271-L273 VanDerWaalsContact C-N 3.34Å; A271-L273 PolarHBondContact O-N 3.04Å; L273-K276 PolarHBondContact O-N 2.8Å; L273-H277 WeakPolarHBondContact O-CB 3.44Å; L273-H277 PolarHBondContact O-N 2.75Å
274	R	90.5	Very high	90.5	Very high	184 Å²	184	110.2 Å²	110.2	69%	0.694	53%	0.529	S	S	*	.	H	α-helix	trans	-63.7	-42.8	176.7	-71.6	175	-175.2	177.4	0.6	111.7	K270 A271 L272 H277 L278	K270-R274 WeakPolarHBondContact O-CG 3.11Å; K270-R274 PolarHBondContact O-N 3.28Å; K270-R274 VanDerWaalsContact O-N 3.1Å; A271-R274 WeakPolarHBondContact O-CB 3.25Å; A271-R274 PolarHBondContact O-N 3.38Å; L272-R274 VanDerWaalsContact C-N 3.34Å; L272-R274 PolarHBondContact O-N 3.16Å; R274-H277 PolarHBondContact O-N 3.35Å; R274-L278 WeakPolarHBondContact O-CB 3.35Å; R274-L278 PolarHBondContact O-N 3.37Å
275	V	91.4	Very high	90.6	Very high	76 Å²	76	110.4 Å²	110.4	46%	0.461	53%	0.531	S	S	.	.	H	α-helix	trans	-62.6	-45.4	176	174.1	0	0	0	0	110.5	A271 L272 H277 L278 M279	A271-V275 WeakPolarHBondContact O-CG2 3.34Å; A271-V275 PolarHBondContact O-N 3.15Å; L272-V275 PolarHBondContact O-N 2.7Å; V275-H277 VanDerWaalsContact C-N 3.31Å; V275-H277 PolarHBondContact O-N 3.12Å; V275-L278 PolarHBondContact O-N 3.32Å; V275-M279 HydrophobicContact CG1-CE 3.81Å; V275-M279 HydrophobicContact CG1-CG 4.48Å; V275-M279 HydrophobicContact CG1-SD 4.3Å; V275-M279 WeakPolarHBondContact O-CG 3.34Å; V275-M279 PolarHBondContact O-N 2.78Å
276	K	92	Very high	90.8	Very high	157 Å²	157	113.1 Å²	113.1	68%	0.683	53%	0.534	S	S	*	.	H	α-helix	trans	-59.2	-42.4	176.4	-174.8	177	179	179.3	0	112	L272 L273 M279 L280	L272-K276 PolarHBondContact O-N 3.49Å; L273-K276 PolarHBondContact O-N 2.8Å; K276-M279 PolarHBondContact O-N 2.88Å; K276-L280 PolarHBondContact O-N 2.95Å
277	H	91.4	Very high	91	Very high	129 Å²	129	111.2 Å²	111.2	60%	0.597	53%	0.525	S	S	*	.	H	α-helix	trans	-66	-42.1	177.3	-172.4	62.8	0	0	0	112.2	L273 R274 V275 M279 L280 L281	L273-H277 WeakPolarHBondContact O-CB 3.44Å; L273-H277 PolarHBondContact O-N 2.75Å; R274-H277 PolarHBondContact O-N 3.35Å; V275-H277 VanDerWaalsContact C-N 3.31Å; V275-H277 PolarHBondContact O-N 3.12Å; H277-M279 PolarHBondContact O-N 2.84Å; H277-L280 PolarHBondContact O-N 3.12Å; H277-L281 PolarHBondContact O-N 3.24Å
278	L	91.5	Very high	91.4	Very high	94 Å²	94	109.1 Å²	109.1	49%	0.492	52%	0.521	S	S	.	.	H	α-helix	trans	-62	-42.2	175	-175	66.7	0	0	0	111.6	R274 V275 L280 L281 H282	R274-L278 WeakPolarHBondContact O-CB 3.35Å; R274-L278 PolarHBondContact O-N 3.37Å; V275-L278 PolarHBondContact O-N 3.32Å; L278-L280 VanDerWaalsContact C-N 3.35Å; L278-L280 PolarHBondContact O-N 3.02Å; L278-L281 PolarHBondContact O-N 3.26Å; L278-H282 WeakPolarHBondContact O-CB 3.41Å; L278-H282 PolarHBondContact O-CD2 3.48Å; L278-H282 PolarHBondContact O-N 3.08Å
279	M	92	Very high	91.8	Very high	131 Å²	131	111.6 Å²	111.6	65%	0.645	53%	0.526	S	S	*	.	H	α-helix	trans	-61.9	-41.4	175.4	-73.1	-178.4	174.8	0	0	112.3	V275 K276 H277 H282 Y283	V275-M279 HydrophobicContact CG1-CE 3.81Å; V275-M279 HydrophobicContact CG1-CG 4.48Å; V275-M279 HydrophobicContact CG1-SD 4.3Å; V275-M279 WeakPolarHBondContact O-CG 3.34Å; V275-M279 PolarHBondContact O-N 2.78Å; K276-M279 PolarHBondContact O-N 2.88Å; H277-M279 PolarHBondContact O-N 2.84Å; M279-H282 PolarHBondContact O-N 2.75Å; M279-Y283 WeakPolarHBondContact O-CB 3.34Å; M279-Y283 PolarHBondContact O-N 2.74Å
280	L	91.6	Very high	92	Very high	92 Å²	92	108.7 Å²	108.7	48%	0.482	52%	0.521	S	S	.	.	H	α-helix	trans	-63	-45.6	176.4	-164.5	101.8	0	0	0	111.2	K276 H277 L278 H282 Y283 E284	K276-L280 PolarHBondContact O-N 2.95Å; H277-L280 PolarHBondContact O-N 3.12Å; L278-L280 VanDerWaalsContact C-N 3.35Å; L278-L280 PolarHBondContact O-N 3.02Å; L280-H282 PolarHBondContact O-N 2.94Å; L280-Y283 WeakPolarHBondContact O-CB 3.49Å; L280-Y283 PolarHBondContact O-N 2.92Å; L280-E284 WeakPolarHBondContact CD2-OE1 3.37Å; L280-E284 WeakPolarHBondContact O-CG 3.29Å; L280-E284 PolarHBondContact O-N 2.88Å
281	L	92.8	Very high	92.3	Very high	79 Å²	79	107.5 Å²	107.5	41%	0.414	52%	0.52	S	S	.	.	H	α-helix	trans	-61.3	-44.4	176.8	-175.4	70.9	0	0	0	111.7	H277 L278 Y283 E284 I285	H277-L281 PolarHBondContact O-N 3.24Å; L278-L281 PolarHBondContact O-N 3.26Å; L281-Y283 VanDerWaalsContact C-N 3.31Å; L281-Y283 PolarHBondContact O-N 3.49Å; L281-E284 PolarHBondContact O-N 2.94Å; L281-I285 HydrophobicContact CG-CD1 4.02Å; L281-I285 VanDerWaalsContact O-CG1 3.25Å; L281-I285 WeakPolarHBondContact O-CG1 3.38Å; L281-I285 PolarHBondContact O-N 2.81Å
282	H	91	Very high	92.6	Very high	115 Å²	115	108.7 Å²	108.7	53%	0.532	53%	0.526	S	S	.	.	H	α-helix	trans	-62.2	-39.4	175.8	-85.4	-119	0	0	0	112	L278 M279 L280 F286	L278-H282 WeakPolarHBondContact O-CB 3.41Å; L278-H282 PolarHBondContact O-CD2 3.48Å; L278-H282 PolarHBondContact O-N 3.08Å; M279-H282 PolarHBondContact O-N 2.75Å; L280-H282 PolarHBondContact O-N 2.94Å; H282-F286 WeakPolarHBondContact O-CB 3.46Å; H282-F286 PolarHBondContact O-N 3.43Å
283	Y	92.8	Very high	92.7	Very high	155 Å²	155	106.7 Å²	106.7	61%	0.608	52%	0.522	S	S	*	.	H	α-helix	trans	-64.7	-44.7	175.8	177.7	-98.6	0	0	0	111.9	M279 L280 L281 I285 F286 V287	M279-Y283 WeakPolarHBondContact O-CB 3.34Å; M279-Y283 PolarHBondContact O-N 2.74Å; L280-Y283 WeakPolarHBondContact O-CB 3.49Å; L280-Y283 PolarHBondContact O-N 2.92Å; L281-Y283 VanDerWaalsContact C-N 3.31Å; L281-Y283 PolarHBondContact O-N 3.49Å; Y283-I285 PolarHBondContact O-N 3.25Å; Y283-F286 PolarHBondContact O-N 2.99Å; Y283-V287 HydrophobicContact CD1-CG2 4.32Å; Y283-V287 HydrophobicContact CE1-CG2 3.88Å; Y283-V287 HydrophobicContact CE2-CG2 4.12Å; Y283-V287 WeakPolarHBondContact O-CG2 3.35Å; Y283-V287 PolarHBondContact O-N 3.4Å
284	E	92.2	Very high	92.9	Very high	109 Å²	109	106.9 Å²	106.9	51%	0.509	52%	0.523	S	S	.	.	H	α-helix	trans	-61.2	-44.2	176.2	-73	175.7	-176.4	0	0	112.1	L280 L281 F286 V287 F288	L280-E284 WeakPolarHBondContact CD2-OE1 3.37Å; L280-E284 WeakPolarHBondContact O-CG 3.29Å; L280-E284 PolarHBondContact O-N 2.88Å; L281-E284 PolarHBondContact O-N 2.94Å; E284-F286 VanDerWaalsContact C-N 3.33Å; E284-F286 PolarHBondContact O-N 2.91Å; E284-V287 PolarHBondContact O-N 2.9Å; E284-F288 WeakPolarHBondContact O-CB 3.33Å; E284-F288 PolarHBondContact O-N 3.14Å
285	I	92.8	Very high	93.1	Very high	85 Å²	85	103.1 Å²	103.1	44%	0.436	52%	0.516	S	S	.	.	H	α-helix	trans	-61.2	-43.2	175.1	-67.3	165.1	0	0	0	110.6	L281 Y283 F288 L289	L281-I285 HydrophobicContact CG-CD1 4.02Å; L281-I285 VanDerWaalsContact O-CG1 3.25Å; L281-I285 WeakPolarHBondContact O-CG1 3.38Å; L281-I285 PolarHBondContact O-N 2.81Å; Y283-I285 PolarHBondContact O-N 3.25Å; I285-F288 PolarHBondContact O-N 3.24Å; I285-L289 HydrophobicContact CG2-CD1 4.08Å; I285-L289 HydrophobicContact CG2-CG 4.43Å; I285-L289 WeakPolarHBondContact O-CG 3.46Å; I285-L289 PolarHBondContact O-N 3.47Å
286	F	93.8	Very high	93.2	Very high	133 Å²	133	106.5 Å²	106.5	58%	0.583	53%	0.525	S	S	*	.	H	α-helix	trans	-63.1	-46.5	179	-179.9	-97.2	0	0	0	112.2	H282 Y283 E284 F288 L289 L290	H282-F286 WeakPolarHBondContact O-CB 3.46Å; H282-F286 PolarHBondContact O-N 3.43Å; Y283-F286 PolarHBondContact O-N 2.99Å; E284-F286 VanDerWaalsContact C-N 3.33Å; E284-F286 PolarHBondContact O-N 2.91Å; F286-F288 VanDerWaalsContact C-N 3.31Å; F286-F288 PolarHBondContact O-N 2.84Å; F286-L289 PolarHBondContact O-N 3.44Å; F286-L290 PolarHBondContact O-N 2.92Å
287	V	94.4	Very high	93.3	Very high	48 Å²	48	104.8 Å²	104.8	29%	0.291	52%	0.517	S	S	.	.	H	α-helix	trans	-61.3	-41.8	176.5	172.5	0	0	0	0	110.8	Y283 E284 L290 L291	Y283-V287 HydrophobicContact CD1-CG2 4.32Å; Y283-V287 HydrophobicContact CE1-CG2 3.88Å; Y283-V287 HydrophobicContact CE2-CG2 4.12Å; Y283-V287 WeakPolarHBondContact O-CG2 3.35Å; Y283-V287 PolarHBondContact O-N 3.4Å; E284-V287 PolarHBondContact O-N 2.9Å; V287-L290 PolarHBondContact O-N 2.94Å; V287-L291 HydrophobicContact CG1-CD1 4.23Å; V287-L291 WeakPolarHBondContact O-CG 3.35Å; V287-L291 PolarHBondContact O-N 2.97Å
288	F	93.8	Very high	93.4	Very high	134 Å²	134	103.3 Å²	103.3	59%	0.588	51%	0.513	S	S	*	.	H	α-helix	trans	-60.5	-48.2	176.2	178.4	-99.6	0	0	0	112.3	E284 I285 F286 L290 L291 C292	E284-F288 WeakPolarHBondContact O-CB 3.33Å; E284-F288 PolarHBondContact O-N 3.14Å; I285-F288 PolarHBondContact O-N 3.24Å; F286-F288 VanDerWaalsContact C-N 3.31Å; F286-F288 PolarHBondContact O-N 2.84Å; F288-L290 VanDerWaalsContact C-N 3.32Å; F288-L290 PolarHBondContact O-N 3.06Å; F288-L291 PolarHBondContact O-N 2.83Å; F288-C292 PolarHBondContact O-N 3.29Å; F288-C292 PolarHBondContact O-SG 2.91Å; F288-C292 VanDerWaalsContact O-SG 3.39Å
289	L	94.5	Very high	93.5	Very high	104 Å²	104	103 Å²	103	55%	0.545	51%	0.51	S	S	.	.	H	α-helix	trans	-61.9	-38.8	177.7	-70.4	174.1	0	0	0	112.4	I285 F286 C292 S293	I285-L289 HydrophobicContact CG2-CD1 4.08Å; I285-L289 HydrophobicContact CG2-CG 4.43Å; I285-L289 WeakPolarHBondContact O-CG 3.46Å; I285-L289 PolarHBondContact O-N 3.47Å; F286-L289 PolarHBondContact O-N 3.44Å; L289-C292 PolarHBondContact O-N 3.2Å; L289-S293 PolarHBondContact O-N 3.49Å
290	L	95	Very high	93.5	Very high	90 Å²	90	102 Å²	102	47%	0.471	50%	0.503	S	S	.	.	H	α-helix	trans	-61	-46.6	175.5	-167.1	89.5	0	0	0	111.1	F286 V287 F288 S293 I294	F286-L290 PolarHBondContact O-N 2.92Å; V287-L290 PolarHBondContact O-N 2.94Å; F288-L290 VanDerWaalsContact C-N 3.32Å; F288-L290 PolarHBondContact O-N 3.06Å; L290-S293 PolarHBondContact O-N 3.18Å; L290-I294 HydrophobicContact CD2-CD1 4.3Å; L290-I294 HydrophobicContact CG-CD1 4.21Å; L290-I294 WeakPolarHBondContact O-CG1 3.35Å; L290-I294 PolarHBondContact O-N 2.99Å
291	L	94.9	Very high	93.5	Very high	106 Å²	106	101.9 Å²	101.9	56%	0.555	50%	0.502	S	S	*	.	H	α-helix	trans	-63.5	-41.4	177.7	-69.9	173.1	0	0	0	112.1	V287 F288 S293 I294 L295	V287-L291 HydrophobicContact CG1-CD1 4.23Å; V287-L291 WeakPolarHBondContact O-CG 3.35Å; V287-L291 PolarHBondContact O-N 2.97Å; F288-L291 PolarHBondContact O-N 2.83Å; L291-S293 VanDerWaalsContact C-N 3.33Å; L291-S293 PolarHBondContact O-N 3.03Å; L291-I294 PolarHBondContact O-N 3.29Å; L291-L295 WeakPolarHBondContact O-CB 3.48Å; L291-L295 PolarHBondContact O-N 3.14Å
292	C	94.9	Very high	93.4	Very high	57 Å²	57	104.1 Å²	104.1	39%	0.385	51%	0.509	S	S	.	.	H	α-helix	trans	-60.6	-41	173.9	-70.2	0	0	0	0	112.2	F288 L289 L295 F296	F288-C292 PolarHBondContact O-N 3.29Å; F288-C292 PolarHBondContact O-SG 2.91Å; F288-C292 VanDerWaalsContact O-SG 3.39Å; L289-C292 PolarHBondContact O-N 3.2Å; C292-L295 PolarHBondContact O-N 3.13Å; C292-F296 WeakPolarHBondContact O-CB 3.31Å; C292-F296 PolarHBondContact O-N 3.32Å
293	S	93.5	Very high	93.4	Very high	80 Å²	80	103 Å²	103	56%	0.559	51%	0.506	S	S	*	.	H	α-helix	trans	-66.1	-43.2	177.6	179.8	0	0	0	0	112.3	L289 L290 L291 F296 F297	L289-S293 PolarHBondContact O-N 3.49Å; L290-S293 PolarHBondContact O-N 3.18Å; L291-S293 VanDerWaalsContact C-N 3.33Å; L291-S293 PolarHBondContact O-N 3.03Å; S293-F296 PolarHBondContact O-N 3.38Å; S293-F297 PolarHBondContact O-N 3.26Å
294	I	94.9	Very high	93.2	Very high	87 Å²	87	103 Å²	103	45%	0.446	51%	0.509	S	S	.	.	H	α-helix	trans	-61.6	-45.6	175.8	-67.6	165.4	0	0	0	110.5	L290 L291 F296 F297 I298	L290-I294 HydrophobicContact CD2-CD1 4.3Å; L290-I294 HydrophobicContact CG-CD1 4.21Å; L290-I294 WeakPolarHBondContact O-CG1 3.35Å; L290-I294 PolarHBondContact O-N 2.99Å; L291-I294 PolarHBondContact O-N 3.29Å; I294-F296 PolarHBondContact O-N 2.73Å; I294-F297 PolarHBondContact O-N 3.23Å; I294-I298 HydrophobicContact CG2-CD1 3.94Å; I294-I298 WeakPolarHBondContact O-CG1 3.27Å; I294-I298 PolarHBondContact O-N 3.15Å
295	L	94.4	Very high	92.9	Very high	104 Å²	104	105.4 Å²	105.4	55%	0.545	52%	0.52	S	S	.	.	H	α-helix	trans	-61	-44.1	177.8	-178	65.6	0	0	0	111.7	L291 C292 F297 I298 I299	L291-L295 WeakPolarHBondContact O-CB 3.48Å; L291-L295 PolarHBondContact O-N 3.14Å; C292-L295 PolarHBondContact O-N 3.13Å; L295-F297 VanDerWaalsContact C-N 3.32Å; L295-F297 PolarHBondContact O-N 3.28Å; L295-I298 PolarHBondContact O-N 3.26Å; L295-I299 HydrophobicContact CD1-CD1 4.45Å; L295-I299 HydrophobicContact CG-CD1 4.11Å; L295-I299 WeakPolarHBondContact O-CG1 3.5Å; L295-I299 PolarHBondContact O-N 3.31Å
296	F	93.9	Very high	92.3	Very high	148 Å²	148	109.6 Å²	109.6	65%	0.649	53%	0.532	S	S	*	.	H	α-helix	trans	-59.8	-42.7	176	-179.7	-96.2	0	0	0	111.9	C292 S293 I294 I299 F300	C292-F296 WeakPolarHBondContact O-CB 3.31Å; C292-F296 PolarHBondContact O-N 3.32Å; S293-F296 PolarHBondContact O-N 3.38Å; I294-F296 PolarHBondContact O-N 2.73Å; F296-I299 PolarHBondContact O-N 2.85Å; F296-F300 WeakPolarHBondContact O-CB 3.5Å; F296-F300 PolarHBondContact O-N 3.46Å
297	F	94	Very high	91.2	Very high	120 Å²	120	112.3 Å²	112.3	53%	0.526	55%	0.55	S	S	.	*	H	α-helix	trans	-64.3	-40.7	177.3	-172.4	-104.1	0	0	0	112.5	S293 I294 L295 F300 L301	S293-F297 PolarHBondContact O-N 3.26Å; I294-F297 PolarHBondContact O-N 3.23Å; L295-F297 VanDerWaalsContact C-N 3.32Å; L295-F297 PolarHBondContact O-N 3.28Å; F297-F300 PolarHBondContact O-N 2.88Å; F297-L301 HydrophobicContact CD1-CD1 3.86Å; F297-L301 HydrophobicContact CD1-CG 4.27Å; F297-L301 HydrophobicContact CE1-CD1 3.43Å; F297-L301 VanDerWaalsContact CE1-CD1 3.43Å; F297-L301 HydrophobicContact CE1-CD2 4.44Å; F297-L301 HydrophobicContact CE1-CG 3.96Å; F297-L301 HydrophobicContact CZ-CD1 4.04Å; F297-L301 HydrophobicContact CZ-CD2 4.23Å; F297-L301 HydrophobicContact CZ-CG 4.17Å; F297-L301 WeakPolarHBondContact O-CG 3.33Å; F297-L301 PolarHBondContact O-N 2.8Å
298	I	93.5	Very high	91	Very high	98 Å²	98	115.5 Å²	115.5	50%	0.503	56%	0.563	S	S	.	*	H	α-helix	trans	-61.3	-45	174.9	-68.2	167.3	0	0	0	110.8	I294 L295 L301 F302	I294-I298 HydrophobicContact CG2-CD1 3.94Å; I294-I298 WeakPolarHBondContact O-CG1 3.27Å; I294-I298 PolarHBondContact O-N 3.15Å; L295-I298 PolarHBondContact O-N 3.26Å; I298-L301 PolarHBondContact O-N 3.09Å; I298-F302 WeakPolarHBondContact O-CB 3.34Å; I298-F302 PolarHBondContact O-N 3.36Å
299	I	92.5	Very high	90.9	Very high	87 Å²	87	114.5 Å²	114.5	45%	0.446	56%	0.562	S	S	.	*	H	α-helix	trans	-63	-42.9	176.9	-66.8	166.6	0	0	0	110.7	L295 F296 F302 I303	L295-I299 HydrophobicContact CD1-CD1 4.45Å; L295-I299 HydrophobicContact CG-CD1 4.11Å; L295-I299 WeakPolarHBondContact O-CG1 3.5Å; L295-I299 PolarHBondContact O-N 3.31Å; F296-I299 PolarHBondContact O-N 2.85Å; I299-F302 WeakPolarHBondContact O-CB 3.32Å; I299-F302 PolarHBondContact O-N 3.29Å; I299-I303 HydrophobicContact CG2-CD1 3.93Å; I299-I303 WeakPolarHBondContact O-CG1 3.23Å; I299-I303 PolarHBondContact O-N 2.83Å
300	F	91.8	Very high	90.7	Very high	110 Å²	110	115.1 Å²	115.1	48%	0.482	56%	0.563	S	S	.	*	H	α-helix	trans	-60.9	-46.3	177.6	179.5	-95.2	0	0	0	112.2	F296 F297 F302 I303 F304	F296-F300 WeakPolarHBondContact O-CB 3.5Å; F296-F300 PolarHBondContact O-N 3.46Å; F297-F300 PolarHBondContact O-N 2.88Å; F300-F302 VanDerWaalsContact C-N 3.3Å; F300-F302 PolarHBondContact O-N 2.75Å; F300-I303 PolarHBondContact O-N 2.88Å; F300-F304 PolarHBondContact O-N 3.5Å
301	L	92.2	Very high	90.4	Very high	90 Å²	90	116.6 Å²	116.6	47%	0.471	57%	0.568	S	S	.	*	H	α-helix	trans	-61.1	-39.6	175.2	-73.1	179.7	0	0	0	112.1	F297 I298 F304 H305	F297-L301 HydrophobicContact CD1-CD1 3.86Å; F297-L301 HydrophobicContact CD1-CG 4.27Å; F297-L301 HydrophobicContact CE1-CD1 3.43Å; F297-L301 VanDerWaalsContact CE1-CD1 3.43Å; F297-L301 HydrophobicContact CE1-CD2 4.44Å; F297-L301 HydrophobicContact CE1-CG 3.96Å; F297-L301 HydrophobicContact CZ-CD1 4.04Å; F297-L301 HydrophobicContact CZ-CD2 4.23Å; F297-L301 HydrophobicContact CZ-CG 4.17Å; F297-L301 WeakPolarHBondContact O-CG 3.33Å; F297-L301 PolarHBondContact O-N 2.8Å; I298-L301 PolarHBondContact O-N 3.09Å; L301-F304 PolarHBondContact O-N 2.83Å; L301-H305 WeakPolarHBondContact O-CB 3.46Å; L301-H305 PolarHBondContact O-N 2.93Å
302	F	91.4	Very high	90.1	Very high	127 Å²	127	117.3 Å²	117.3	56%	0.557	57%	0.569	S	S	*	*	H	α-helix	trans	-62.9	-45.8	176.2	-171.5	-95.6	0	0	0	111.5	I298 I299 F300 F304 H305 Y306	I298-F302 WeakPolarHBondContact O-CB 3.34Å; I298-F302 PolarHBondContact O-N 3.36Å; I299-F302 WeakPolarHBondContact O-CB 3.32Å; I299-F302 PolarHBondContact O-N 3.29Å; F300-F302 VanDerWaalsContact C-N 3.3Å; F300-F302 PolarHBondContact O-N 2.75Å; F302-F304 PolarHBondContact O-N 3.19Å; F302-H305 PolarHBondContact O-N 2.97Å; F302-Y306 HydrophobicContact CD1-CD2 4.35Å; F302-Y306 AromaticContact CD2-CD2 3.9Å; F302-Y306 HydrophobicContact CD2-CD2 3.9Å; F302-Y306 AromaticContact CD2-CE2 3.69Å; F302-Y306 HydrophobicContact CD2-CE2 3.69Å; F302-Y306 HydrophobicContact CE1-CD2 4.2Å; F302-Y306 HydrophobicContact CE1-CE2 4.5Å; F302-Y306 AromaticContact CE2-CD2 3.74Å; F302-Y306 HydrophobicContact CE2-CD2 3.74Å; F302-Y306 AromaticContact CE2-CE2 3.28Å; F302-Y306 HydrophobicContact CE2-CE2 3.28Å; F302-Y306 AromaticContact CE2-CZ 4Å; F302-Y306 HydrophobicContact CG-CD2 4.21Å; F302-Y306 HydrophobicContact CG-CE2 4.45Å; F302-Y306 AromaticContact CZ-CD2 3.89Å; F302-Y306 HydrophobicContact CZ-CD2 3.89Å; F302-Y306 AromaticContact CZ-CE2 3.75Å; F302-Y306 HydrophobicContact CZ-CE2 3.75Å; F302-Y306 VanDerWaalsContact O-CD2 3.3Å; F302-Y306 WeakPolarHBondContact O-CD2 3.44Å; F302-Y306 PolarHBondContact O-N 3.21Å
303	I	90.4	Very high	89.8	Confident	90 Å²	90	121.3 Å²	121.3	46%	0.462	58%	0.581	S	S	.	*	H	α-helix	trans	-62.5	-44.4	176.9	-67	169.3	0	0	0	111.2	I299 F300 H305 Y306 I307	I299-I303 HydrophobicContact CG2-CD1 3.93Å; I299-I303 WeakPolarHBondContact O-CG1 3.23Å; I299-I303 PolarHBondContact O-N 2.83Å; F300-I303 PolarHBondContact O-N 2.88Å; I303-H305 VanDerWaalsContact C-N 3.35Å; I303-H305 PolarHBondContact O-N 2.9Å; I303-Y306 PolarHBondContact O-N 3.42Å; I303-I307 HydrophobicContact CG2-CD1 3.57Å; I303-I307 HydrophobicContact CG2-CG1 4.45Å; I303-I307 WeakPolarHBondContact O-CG1 3.47Å; I303-I307 PolarHBondContact O-N 3.01Å
304	F	87.9	Confident	89.6	Confident	157 Å²	157	124.2 Å²	124.2	69%	0.689	58%	0.583	S	S	*	*	H	α-helix	trans	-69	-29.5	-177.8	-167.1	-92.5	0	0	0	113.6	F300 L301 F302	F300-F304 PolarHBondContact O-N 3.5Å; L301-F304 PolarHBondContact O-N 2.83Å; F302-F304 PolarHBondContact O-N 3.19Å
305	H	85.6	Confident	89.2	Confident	159 Å²	159	127.1 Å²	127.1	74%	0.736	59%	0.593	S	S	*	*	H	α-helix	trans	-83	-19.7	179	-161	-58.4	0	0	0	113	L301 F302 I303	L301-H305 WeakPolarHBondContact O-CB 3.46Å; L301-H305 PolarHBondContact O-N 2.93Å; F302-H305 PolarHBondContact O-N 2.97Å; I303-H305 VanDerWaalsContact C-N 3.35Å; I303-H305 PolarHBondContact O-N 2.9Å
306	Y	80.9	Confident	88.7	Confident	173 Å²	173	129 Å²	129	68%	0.678	60%	0.597	S	S	*	*	H	α-helix	trans	-106.6	3.9	-177.3	-80.3	-87.2	0	0	0	114.4	F302 I303	F302-Y306 HydrophobicContact CD1-CD2 4.35Å; F302-Y306 AromaticContact CD2-CD2 3.9Å; F302-Y306 HydrophobicContact CD2-CD2 3.9Å; F302-Y306 AromaticContact CD2-CE2 3.69Å; F302-Y306 HydrophobicContact CD2-CE2 3.69Å; F302-Y306 HydrophobicContact CE1-CD2 4.2Å; F302-Y306 HydrophobicContact CE1-CE2 4.5Å; F302-Y306 AromaticContact CE2-CD2 3.74Å; F302-Y306 HydrophobicContact CE2-CD2 3.74Å; F302-Y306 AromaticContact CE2-CE2 3.28Å; F302-Y306 HydrophobicContact CE2-CE2 3.28Å; F302-Y306 AromaticContact CE2-CZ 4Å; F302-Y306 HydrophobicContact CG-CD2 4.21Å; F302-Y306 HydrophobicContact CG-CE2 4.45Å; F302-Y306 AromaticContact CZ-CD2 3.89Å; F302-Y306 HydrophobicContact CZ-CD2 3.89Å; F302-Y306 AromaticContact CZ-CE2 3.75Å; F302-Y306 HydrophobicContact CZ-CE2 3.75Å; F302-Y306 VanDerWaalsContact O-CD2 3.3Å; F302-Y306 WeakPolarHBondContact O-CD2 3.44Å; F302-Y306 PolarHBondContact O-N 3.21Å; I303-Y306 PolarHBondContact O-N 3.42Å
307	I	70.6	Confident	88.3	Confident	189 Å²	189	127.3 Å²	127.3	97%	0.969	59%	0.593	S	S	*	*			trans	-110	0	169.7	-65.7	176.2	0	0	0	108.4	I303	I303-I307 HydrophobicContact CG2-CD1 3.57Å; I303-I307 HydrophobicContact CG2-CG1 4.45Å; I303-I307 WeakPolarHBondContact O-CG1 3.47Å; I303-I307 PolarHBondContact O-N 3.01Å

Retrieved 307 of 307 residues in 121.8 ms (Link to these results)

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