GIMA2_HUMAN Loading...

GTPase IMAP family member 2

The heterodimer formed by GIMAP2 and GIMAP7 has GTPase activity. In contrast, GIMAP2 has no GTPase activity by itself.

AlphaFold DB , UniProt , Accession Q9UG22, Species HUMAN (Homo sapiens, Human), Gene GIMAP2, Length 337 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	45	Very low	42.6	Very low	232 Å²	232	155.8 Å²	155.8	100%	1.143	79%	0.793	S	S	*	*				0	116.7	0	-65.9	171.2	171.9	0	0	107.4
2	D	44.9	Very low	42.4	Very low	120 Å²	120	157.8 Å²	157.8	64%	0.642	80%	0.796	S	S	*	*			cis	-161.6	131.7	-14	-100.4	-51.9	0	0	0	103.1
3	Q	42.4	Very low	41.8	Very low	167 Å²	167	153.2 Å²	153.2	78%	0.78	80%	0.798	S	S	*	*				62.1	115	121.7	-63.8	-180	42.4	0	0	114.6
4	N	42.4	Very low	41.5	Very low	121 Å²	121	155.9 Å²	155.9	65%	0.647	80%	0.8	S	S	*	*				122.7	120	51.1	-148.6	18.5	0	0	0	103.2
5	E	48.5	Very low	41.1	Very low	196 Å²	196	150.8 Å²	150.8	92%	0.916	80%	0.801	S	S	*	*			trans	-156.3	120.2	149.3	-117.8	174.2	-172.1	0	0	111.3
6	H	41.2	Very low	40.4	Very low	168 Å²	168	154 Å²	154	78%	0.778	81%	0.81	S	S	*	*			trans	-74.7	136.1	-175.3	-71	-74.5	0	0	0	111.3
7	S	47.2	Very low	39.6	Very low	115 Å²	115	152.6 Å²	152.6	80%	0.804	81%	0.814	S	S	*	*			trans	-124.8	135.5	154.6	57.8	0	0	0	0	110.8
8	H	39.6	Very low	39.3	Very low	181 Å²	181	149.6 Å²	149.6	84%	0.838	81%	0.814	S	S	*	*			trans	-83.8	112.8	-155.5	174.9	38.8	0	0	0	111.4
9	W	38.8	Very low	39.2	Very low	251 Å²	251	147.7 Å²	147.7	95%	0.951	81%	0.814	S	S	*	*			trans	-85.9	105.2	163.2	-91.6	75.4	0	0	0	108.8
10	G	41.6	Very low	40	Very low	43 Å²	43	152.8 Å²	152.8	44%	0.443	82%	0.82	S	S	.	*			trans	-79.3	144.7	171.1	0	0	0	0	0	111.6	H12	G10-H12 PolarHBondContact O-N 3.31Å
11	P	37.5	Very low	41.9	Very low	120 Å²	120	148.5 Å²	148.5	78%	0.779	80%	0.801	S	S	*	*			trans	-89.4	108.2	179	33.8	-27.6	0	0	0	109.8
12	H	40.3	Very low	44.2	Very low	179 Å²	179	139.7 Å²	139.7	83%	0.829	76%	0.757	S	S	*	*			trans	-100.4	72.2	160.3	-81.5	-48.7	0	0	0	110.2	G10 K14	G10-H12 PolarHBondContact O-N 3.31Å; H12-K14 PolarHBondContact O-N 3.32Å
13	A	34.1	Very low	46.7	Very low	99 Å²	99	134 Å²	134	82%	0.818	73%	0.727	S	S	*	*			trans	-71.2	97	154	0	0	0	0	0	108.2
14	K	37.3	Very low	49.4	Very low	190 Å²	190	126.8 Å²	126.8	83%	0.826	69%	0.693	S	S	*	*			trans	-120.1	107.7	162.6	-89.7	-175	175.1	-179.9	0	108.2	H12	H12-K14 PolarHBondContact O-N 3.32Å
15	G	35.6	Very low	52.1	Low	80 Å²	80	121 Å²	121	83%	0.825	66%	0.662	S	S	*	*			trans	88.4	34.7	150.9	0	0	0	0	0	119.2	C17	G15-C17 PolarHBondContact O-N 3.15Å
16	Q	29.3	Very low	54.5	Low	202 Å²	202	111.7 Å²	111.7	94%	0.944	62%	0.618	S	S	*	*			trans	-86.5	79.1	157	-82.8	176.2	-5.2	0	0	109.4
17	C	27.5	Very low	57.2	Low	130 Å²	130	103.7 Å²	103.7	88%	0.878	58%	0.581	S	S	*	*			trans	-158.6	76.3	165.8	-143.5	0	0	0	0	112.4	G15	G15-C17 PolarHBondContact O-N 3.15Å
18	A	33.4	Very low	59.6	Low	99 Å²	99	98.3 Å²	98.3	82%	0.818	54%	0.544	S	S	*	.			trans	-152.2	96.6	148.6	0	0	0	0	0	106.9	R20	A18-R20 PolarHBondContact O-N 3.03Å
19	S	38.2	Very low	62.3	Low	114 Å²	114	90.1 Å²	90.1	80%	0.797	51%	0.508	S	S	*	.			trans	-47.7	110.1	171.7	149.6	0	0	0	0	111	S21	S19-S21 PolarHBondContact O-N 2.77Å
20	R	56	Low	64.9	Low	249 Å²	249	79.5 Å²	79.5	94%	0.94	47%	0.469	S	S	*	.			trans	10.1	69.5	154.7	-71.6	177.6	163.7	165.3	-4.7	116.9	A18	A18-R20 PolarHBondContact O-N 3.03Å
21	S	78.1	Confident	67.3	Low	62 Å²	62	79.5 Å²	79.5	43%	0.434	46%	0.46	S	S	.	.			trans	-109.7	127	176.2	-172.7	0	0	0	0	112.2	S19 R71	S19-S21 PolarHBondContact O-N 2.77Å; S21-R71 PolarHBondContact O-NE 2.96Å; S21-R71 VanDerWaalsContact O-NE 3.14Å
22	E	94.4	Very high	69.8	Low	47 Å²	47	76.4 Å²	76.4	22%	0.22	45%	0.45	C	S	.	.			trans	-42.6	131.6	166.2	-174.5	-161.8	52.9	0	0	111	R24 K63 V74 H107	E22-R24 HydrophobicContact CG-CG 4.15Å; E22-R24 WeakPolarHBondContact OE1-CD 3.33Å; E22-R24 WeakPolarHBondContact OE1-CG 3.5Å; E22-R24 IonicContact OE1-CZ 2.65Å; E22-R24 IonicContact OE1-NE 3.64Å; E22-R24 IonicContact OE1-NH1 3.87Å; E22-R24 PolarHBondContact OE1-NH1 3.45Å; E22-K63 IonicContact OE2-NZ 2.69Å; E22-V74 HydrophobicContact CG-CB 4.1Å; E22-V74 HydrophobicContact CG-CG2 3.51Å; E22-V74 WeakPolarHBondContact OE2-CG2 3.37Å; E22-H107 PolarHBondContact O-CE1 3.5Å
23	L	97.9	Very high	72.3	Confident	2 Å²	2	67.9 Å²	67.9	1%	0.01	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	128.5	166.5	-177.8	73.1	0	0	0	108.9	I25 R71 E72 I73 V74 H107 M199 I202 L206	L23-I25 HydrophobicContact CD2-CD1 3.93Å; L23-I25 HydrophobicContact CD2-CG1 4.12Å; L23-I25 HydrophobicContact CG-CG1 4.2Å; L23-R71 HydrophobicContact CB-CG 4.49Å; L23-E72 PolarHBondContact N-O 3.35Å; L23-I73 HydrophobicContact CB-CD1 3.88Å; L23-I73 HydrophobicContact CD2-CD1 3.68Å; L23-I73 HydrophobicContact CD2-CG2 4.49Å; L23-I73 HydrophobicContact CG-CD1 4.4Å; L23-V74 PolarHBondContact O-N 3.17Å; L23-H107 HydrophobicContact CD1-CB 3.51Å; L23-M199 HydrophobicContact CD2-SD 4.38Å; L23-I202 HydrophobicContact CD1-CG2 3.87Å; L23-I202 HydrophobicContact CD2-CD1 4.22Å; L23-I202 HydrophobicContact CD2-CG2 4.03Å; L23-L206 HydrophobicContact CD1-CD1 3.76Å
24	R	98.6	Very high	75.2	Confident	14 Å²	14	64.3 Å²	64.3	5%	0.053	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	120.1	-178.8	-68.7	-179.8	-63.8	-73.9	-6	110.4	E22 V74 S102 G105 H107 V108 H213	E22-R24 HydrophobicContact CG-CG 4.15Å; E22-R24 WeakPolarHBondContact OE1-CD 3.33Å; E22-R24 WeakPolarHBondContact OE1-CG 3.5Å; E22-R24 IonicContact OE1-CZ 2.65Å; E22-R24 IonicContact OE1-NE 3.64Å; E22-R24 IonicContact OE1-NH1 3.87Å; E22-R24 PolarHBondContact OE1-NH1 3.45Å; R24-V74 CarbonylContact C-O 3.5Å; R24-V74 WeakPolarHBondContact CA-O 3.44Å; R24-V74 HydrophobicContact CG-CB 4.37Å; R24-S102 WeakPolarHBondContact CD-O 3.44Å; R24-S102 PolarHBondContact NE-O 3.46Å; R24-G105 VanDerWaalsContact CZ-O 3.25Å; R24-G105 PolarHBondContact NE-O 3.3Å; R24-G105 PolarHBondContact NH2-O 2.87Å; R24-H107 VanDerWaalsContact CZ-CE1 3.42Å; R24-H107 PolarHBondContact N-ND1 3.31Å; R24-H107 PolarHBondContact NH2-CE1 3.45Å; R24-H107 PolarHBondContact O-N 3.49Å; R24-V108 PolarHBondContact O-N 3.16Å; R24-H213 PolarHBondContact NH2-CD2 2.86Å
25	I	98.8	Very high	77.9	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	129.7	-179.4	-51.9	178.7	0	0	0	108.7	L23 L27 I73 V74 I75 I76 V108 L110 I202	L23-I25 HydrophobicContact CD2-CD1 3.93Å; L23-I25 HydrophobicContact CD2-CG1 4.12Å; L23-I25 HydrophobicContact CG-CG1 4.2Å; I25-L27 HydrophobicContact CG2-CD2 4.13Å; I25-I73 HydrophobicContact CD1-CG2 4.02Å; I25-V74 PolarHBondContact N-O 3.49Å; I25-I75 HydrophobicContact CB-CG1 4.32Å; I25-I75 CarbonylContact O-C 3.21Å; I25-I75 WeakPolarHBondContact O-CA 3.47Å; I25-I76 PolarHBondContact O-N 2.89Å; I25-V108 WeakPolarHBondContact CA-O 3.28Å; I25-V108 HydrophobicContact CG1-CB 4.37Å; I25-V108 HydrophobicContact CG2-CB 4.48Å; I25-L110 HydrophobicContact CG2-CB 3.93Å; I25-L110 HydrophobicContact CG2-CD2 4.49Å; I25-I202 HydrophobicContact CD1-CD1 4.03Å
26	I	98.7	Very high	80.8	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	124.6	169.4	-58.8	174.8	0	0	0	108.3	V28 I76 T78 P106 V108 L110 F133	I26-V28 HydrophobicContact CG2-CG1 3.92Å; I26-I76 HydrophobicContact CG1-CB 4.31Å; I26-I76 HydrophobicContact CG1-CD1 4.3Å; I26-T78 HydrophobicContact CG2-CG2 3.53Å; I26-P106 HydrophobicContact CD1-CB 3.74Å; I26-P106 HydrophobicContact CD1-CG 3.76Å; I26-P106 HydrophobicContact CG1-CB 3.87Å; I26-P106 HydrophobicContact CG1-CG 4.42Å; I26-V108 PolarHBondContact N-O 3.07Å; I26-L110 PolarHBondContact O-N 3.05Å; I26-F133 HydrophobicContact CD1-CE1 3.88Å; I26-F133 HydrophobicContact CD1-CZ 4.11Å; I26-F133 HydrophobicContact CG2-CZ 4.22Å
27	L	98.5	Very high	83.9	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	125.2	175.4	-52.8	179.6	0	0	0	109.5	I25 K35 F48 I75 I76 D77 T78 L110	I25-L27 HydrophobicContact CG2-CD2 4.13Å; L27-K35 HydrophobicContact CB-CB 4.45Å; L27-K35 WeakPolarHBondContact CD1-O 3.41Å; L27-F48 HydrophobicContact CD1-CE2 4.49Å; L27-I75 HydrophobicContact CD1-CG2 3.59Å; L27-I75 HydrophobicContact CD2-CG2 3.98Å; L27-I75 HydrophobicContact CG-CG2 3.56Å; L27-I76 PolarHBondContact N-O 3.1Å; L27-D77 HydrophobicContact CD1-CB 4.34Å; L27-T78 WeakPolarHBondContact O-CB 3.44Å; L27-T78 VanDerWaalsContact O-CG2 3.29Å; L27-T78 WeakPolarHBondContact O-CG2 3.42Å; L27-T78 PolarHBondContact O-OG1 3.38Å; L27-L110 HydrophobicContact CD2-CB 3.97Å; L27-L110 HydrophobicContact CD2-CD2 3.86Å; L27-L110 HydrophobicContact CD2-CG 4.45Å
28	V	97.8	Very high	87.3	Confident	3 Å²	3	37.6 Å²	37.6	2%	0.018	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	162.8	-179.8	-66.3	0	0	0	0	110.8	I26 K35 T78 L110 L111 V112 V129 F133	I26-V28 HydrophobicContact CG2-CG1 3.92Å; V28-K35 WeakPolarHBondContact O-CD 3.42Å; V28-T78 HydrophobicContact CG1-CG2 4.19Å; V28-L110 PolarHBondContact N-O 2.88Å; V28-L111 HydrophobicContact CG2-CB 4.11Å; V28-L111 HydrophobicContact CG2-CD1 3.92Å; V28-L111 WeakPolarHBondContact O-CA 3.43Å; V28-V112 PolarHBondContact O-N 2.88Å; V28-V129 HydrophobicContact CB-CG2 3.65Å; V28-V129 HydrophobicContact CG1-CG2 4.08Å; V28-V129 HydrophobicContact CG2-CG1 4.39Å; V28-V129 HydrophobicContact CG2-CG2 3.62Å; V28-F133 HydrophobicContact CG1-CE2 4.17Å
29	G	96.1	Very high	90.4	Very high	9 Å²	9	32.9 Å²	32.9	9%	0.093	19%	0.193	C	C	.	.	S	Bend	trans	135.9	178.7	179.3	0	0	0	0	0	113
30	K	94.1	Very high	93.2	Very high	28 Å²	28	28 Å²	28	12%	0.122	16%	0.158	C	C	.	.			trans	-62	152.5	-179	-175.6	-173.6	69.2	-169.3	0	111.3	T33 K35 T119 Q121 D122 A125	K30-T33 HydrophobicContact CB-CG2 3.83Å; K30-T33 PolarHBondContact O-OG1 3.44Å; K30-K35 PolarHBondContact O-NZ 3.49Å; K30-T119 PolarHBondContact NZ-OG1 3.02Å; K30-Q121 HydrophobicContact CD-CB 3.43Å; K30-Q121 VanDerWaalsContact CD-CB 3.43Å; K30-Q121 HydrophobicContact CG-CB 4.06Å; K30-D122 WeakPolarHBondContact CB-OD1 3.32Å; K30-D122 WeakPolarHBondContact CD-OD1 3.41Å; K30-D122 WeakPolarHBondContact CE-OD1 3.39Å; K30-D122 IonicContact NZ-OD1 2.81Å; K30-D122 PolarHBondContact NZ-OD1 2.93Å; K30-D122 IonicContact NZ-OD2 3.42Å; K30-D122 PolarHBondContact NZ-OD2 3.31Å; K30-A125 HydrophobicContact CB-CB 4.27Å
31	T	91.2	Very high	95.2	Very high	42 Å²	42	16.3 Å²	16.3	26%	0.258	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	141.1	168.1	-59.9	0	0	0	0	111.2	T33 L57 D80	T31-T33 VanDerWaalsContact C-N 3.3Å; T31-T33 PolarHBondContact O-N 3.29Å; T31-L57 HydrophobicContact CG2-CD2 3.57Å; T31-D80 WeakPolarHBondContact CA-OD1 3.36Å; T31-D80 WeakPolarHBondContact CB-OD1 3.34Å; T31-D80 HydrophobicContact CG2-CB 4.4Å; T31-D80 WeakPolarHBondContact CG2-OD1 3.25Å; T31-D80 WeakPolarHBondContact OG1-CB 3.25Å; T31-D80 PolarHBondContact OG1-OD1 3.37Å
32	G	89.7	Confident	96.2	Very high	55 Å²	55	13.6 Å²	13.6	57%	0.567	10%	0.095	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.6	-2.5	175.8	0	0	0	0	0	116.1	G34	G32-G34 PolarHBondContact O-N 2.96Å
33	T	93.4	Very high	96.3	Very high	1 Å²	1	12 Å²	12	1%	0.006	9%	0.087	C	C	.	.	S	Bend	trans	-76	-3.7	176.3	58.9	0	0	0	0	114	K30 T31 V112 T146	K30-T33 HydrophobicContact CB-CG2 3.83Å; K30-T33 PolarHBondContact O-OG1 3.44Å; T31-T33 VanDerWaalsContact C-N 3.3Å; T31-T33 PolarHBondContact O-N 3.29Å; T33-V112 WeakPolarHBondContact CB-O 3.3Å; T33-V112 PolarHBondContact OG1-O 3.28Å; T33-T146 WeakPolarHBondContact O-CB 3.23Å; T33-T146 WeakPolarHBondContact O-CG2 3.37Å; T33-T146 PolarHBondContact O-OG1 2.98Å
34	G	93.7	Very high	96.3	Very high	23 Å²	23	16.9 Å²	16.9	24%	0.237	11%	0.106	C	C	.	.			trans	90.2	23.3	178.1	0	0	0	0	0	115.4	G32 S36 A37 A38 N184	G32-G34 PolarHBondContact O-N 2.96Å; G34-S36 PolarHBondContact O-N 3.05Å; G34-A37 PolarHBondContact O-N 3.47Å; G34-A38 PolarHBondContact O-N 3.02Å; G34-N184 PolarHBondContact O-ND2 2.94Å
35	K	95.2	Very high	96.2	Very high	8 Å²	8	21 Å²	21	4%	0.035	12%	0.124	C	C	.	.	H	α-helix	trans	-46.6	-61.4	174.7	-63.8	-179.7	-49	-56	0	113.3	L27 V28 K30 A37 A38 G39 D80 V112	L27-K35 HydrophobicContact CB-CB 4.45Å; L27-K35 WeakPolarHBondContact CD1-O 3.41Å; V28-K35 WeakPolarHBondContact O-CD 3.42Å; K30-K35 PolarHBondContact O-NZ 3.49Å; K35-A37 VanDerWaalsContact C-N 3.27Å; K35-A37 PolarHBondContact O-N 3.29Å; K35-A38 WeakPolarHBondContact O-CB 3.43Å; K35-A38 PolarHBondContact O-N 2.87Å; K35-A38 VanDerWaalsContact O-N 3.09Å; K35-G39 PolarHBondContact O-N 3.24Å; K35-D80 IonicContact NZ-OD1 2.84Å; K35-D80 PolarHBondContact NZ-OD1 3.49Å; K35-V112 HydrophobicContact CB-CG2 4.37Å; K35-V112 HydrophobicContact CG-CB 3.7Å; K35-V112 HydrophobicContact CG-CG1 4.36Å; K35-V112 HydrophobicContact CG-CG2 3.87Å
36	S	95.4	Very high	96.1	Very high	12 Å²	12	27.7 Å²	27.7	8%	0.084	16%	0.156	C	C	.	.	H	α-helix	trans	-60.2	-37.1	-177.9	-44.9	0	0	0	0	112.3	G34 G39 N40 D77	G34-S36 PolarHBondContact O-N 3.05Å; S36-G39 PolarHBondContact O-N 3.39Å; S36-N40 VanDerWaalsContact O-CG 3.3Å; S36-N40 PolarHBondContact O-N 3.36Å; S36-N40 VanDerWaalsContact O-N 3.08Å; S36-N40 PolarHBondContact O-ND2 3.33Å; S36-D77 VanDerWaalsContact CB-OD2 3.32Å; S36-D77 WeakPolarHBondContact CB-OD2 3.49Å; S36-D77 PolarHBondContact OG-OD2 2.96Å
37	A	96.3	Very high	95.9	Very high	21 Å²	21	29.1 Å²	29.1	17%	0.174	17%	0.167	C	C	.	.	H	α-helix	trans	-66.9	-41.4	175.6	0	0	0	0	0	112	G34 K35 G39 N40 S41 N184	G34-A37 PolarHBondContact O-N 3.47Å; K35-A37 VanDerWaalsContact C-N 3.27Å; K35-A37 PolarHBondContact O-N 3.29Å; A37-G39 VanDerWaalsContact C-N 3.31Å; A37-G39 PolarHBondContact O-N 3.25Å; A37-N40 WeakPolarHBondContact O-CB 3.28Å; A37-N40 PolarHBondContact O-N 3.09Å; A37-N40 VanDerWaalsContact O-N 3.11Å; A37-S41 PolarHBondContact O-N 2.97Å; A37-S41 PolarHBondContact O-OG 3.37Å; A37-N184 HydrophobicContact CB-CB 3.93Å
38	A	97.8	Very high	95.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-61.3	-40.2	173.2	0	0	0	0	0	111.7	G34 K35 N40 S41 I42 L144 F182 N184	G34-A38 PolarHBondContact O-N 3.02Å; K35-A38 WeakPolarHBondContact O-CB 3.43Å; K35-A38 PolarHBondContact O-N 2.87Å; K35-A38 VanDerWaalsContact O-N 3.09Å; A38-N40 VanDerWaalsContact C-N 3.3Å; A38-N40 PolarHBondContact O-N 3.1Å; A38-S41 WeakPolarHBondContact O-CB 3.47Å; A38-S41 PolarHBondContact O-N 3.45Å; A38-S41 VanDerWaalsContact O-N 3.16Å; A38-I42 VanDerWaalsContact O-CG1 3.26Å; A38-I42 WeakPolarHBondContact O-CG1 3.35Å; A38-I42 PolarHBondContact O-N 3.28Å; A38-L144 HydrophobicContact CB-CD2 3.56Å; A38-F182 HydrophobicContact CB-CD2 4.41Å; A38-N184 VanDerWaalsContact CA-OD1 3.32Å; A38-N184 WeakPolarHBondContact CA-OD1 3.44Å
39	G	98	Very high	95.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-57.9	-40.8	172.2	0	0	0	0	0	113.1	K35 S36 A37 L43	K35-G39 PolarHBondContact O-N 3.24Å; S36-G39 PolarHBondContact O-N 3.39Å; A37-G39 VanDerWaalsContact C-N 3.31Å; A37-G39 PolarHBondContact O-N 3.25Å; G39-L43 WeakPolarHBondContact O-CB 3.3Å; G39-L43 WeakPolarHBondContact O-CG 3.32Å; G39-L43 PolarHBondContact O-N 2.63Å
40	N	97.7	Very high	94.5	Very high	12 Å²	12	38 Å²	38	6%	0.064	21%	0.213	C	C	.	.	H	α-helix	trans	-66.2	-41.1	174.4	-63.6	-23.3	0	0	0	112	S36 A37 A38 L43 R44 K45 Q46 A47 F48	S36-N40 VanDerWaalsContact O-CG 3.3Å; S36-N40 PolarHBondContact O-N 3.36Å; S36-N40 VanDerWaalsContact O-N 3.08Å; S36-N40 PolarHBondContact O-ND2 3.33Å; A37-N40 WeakPolarHBondContact O-CB 3.28Å; A37-N40 PolarHBondContact O-N 3.09Å; A37-N40 VanDerWaalsContact O-N 3.11Å; A38-N40 VanDerWaalsContact C-N 3.3Å; A38-N40 PolarHBondContact O-N 3.1Å; N40-L43 PolarHBondContact O-N 3.12Å; N40-R44 WeakPolarHBondContact O-CA 3.26Å; N40-R44 PolarHBondContact O-N 3.3Å; N40-K45 VanDerWaalsContact CA-O 3.26Å; N40-K45 WeakPolarHBondContact CA-O 3.46Å; N40-K45 VanDerWaalsContact CB-O 3.29Å; N40-K45 WeakPolarHBondContact CB-O 3.33Å; N40-K45 PolarHBondContact O-N 3.32Å; N40-K45 PolarHBondContact OD1-O 3.11Å; N40-Q46 PolarHBondContact ND2-NE2 3.45Å; N40-A47 WeakPolarHBondContact OD1-CA 3.35Å; N40-A47 PolarHBondContact OD1-N 3.36Å; N40-F48 PolarHBondContact ND2-O 3.2Å; N40-F48 PolarHBondContact OD1-N 3.38Å; N40-F48 PolarHBondContact OD1-O 3.1Å
41	S	98.1	Very high	93.5	Very high	4 Å²	4	40.2 Å²	40.2	3%	0.028	22%	0.222	C	C	.	.	H	α-helix	trans	-60.6	-46.1	176.4	-60.4	0	0	0	0	111.4	A37 A38 R44 Q191 V195	A37-S41 PolarHBondContact O-N 2.97Å; A37-S41 PolarHBondContact O-OG 3.37Å; A38-S41 WeakPolarHBondContact O-CB 3.47Å; A38-S41 PolarHBondContact O-N 3.45Å; A38-S41 VanDerWaalsContact O-N 3.16Å; S41-R44 PolarHBondContact O-N 3.04Å; S41-Q191 PolarHBondContact O-NE2 3.15Å; S41-V195 WeakPolarHBondContact O-CG2 3.26Å
42	I	98.4	Very high	92.2	Very high	4 Å²	4	44.8 Å²	44.8	2%	0.021	24%	0.244	C	C	.	.	H	α-helix	trans	-63.1	-46	178.4	-63	163.7	0	0	0	111.3	A38 R44 I73 I75 L110 F182 L198 M199	A38-I42 VanDerWaalsContact O-CG1 3.26Å; A38-I42 WeakPolarHBondContact O-CG1 3.35Å; A38-I42 PolarHBondContact O-N 3.28Å; I42-R44 VanDerWaalsContact C-N 3.26Å; I42-R44 PolarHBondContact O-N 3.31Å; I42-I73 HydrophobicContact CG2-CG2 4.43Å; I42-I75 HydrophobicContact CB-CD1 3.8Å; I42-I75 HydrophobicContact CD1-CD1 4.06Å; I42-I75 HydrophobicContact CG2-CD1 3.65Å; I42-L110 HydrophobicContact CD1-CD2 3.74Å; I42-F182 HydrophobicContact CG1-CE2 3.82Å; I42-F182 HydrophobicContact CG1-CZ 4.09Å; I42-L198 HydrophobicContact CD1-CD2 3.6Å; I42-L198 HydrophobicContact CG1-CD2 3.8Å; I42-M199 HydrophobicContact CG2-CE 3.78Å
43	L	98.1	Very high	90.8	Very high	13 Å²	13	46 Å²	46	7%	0.068	26%	0.256	C	S	.	.	H	α-helix	trans	-80.5	-6.3	-178.3	-65.3	177.7	0	0	0	113.5	G39 N40 K45 A47 F48 I73 I75	G39-L43 WeakPolarHBondContact O-CB 3.3Å; G39-L43 WeakPolarHBondContact O-CG 3.32Å; G39-L43 PolarHBondContact O-N 2.63Å; N40-L43 PolarHBondContact O-N 3.12Å; L43-K45 HydrophobicContact CB-CG 4Å; L43-K45 PolarHBondContact O-N 2.97Å; L43-A47 HydrophobicContact CD1-CB 3.61Å; L43-F48 HydrophobicContact CD1-CE2 4.06Å; L43-F48 HydrophobicContact CD1-CZ 4.37Å; L43-I73 HydrophobicContact CD2-CB 4.34Å; L43-I73 HydrophobicContact CD2-CG2 4.35Å; L43-I75 HydrophobicContact CD1-CB 4.33Å; L43-I75 HydrophobicContact CD1-CD1 4.11Å; L43-I75 HydrophobicContact CD1-CG1 4.27Å; L43-I75 HydrophobicContact CD2-CD1 3.94Å; L43-I75 HydrophobicContact CD2-CG1 4.11Å; L43-I75 HydrophobicContact CG-CD1 3.69Å; L43-I75 HydrophobicContact CG-CG1 4.2Å
44	R	96.8	Very high	88.9	Confident	106 Å²	106	51.4 Å²	51.4	40%	0.4	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	37.9	-177	-62.5	170.9	-69.4	177.6	1.4	112.9	N40 S41 I42 S67 D192	N40-R44 WeakPolarHBondContact O-CA 3.26Å; N40-R44 PolarHBondContact O-N 3.3Å; S41-R44 PolarHBondContact O-N 3.04Å; I42-R44 VanDerWaalsContact C-N 3.26Å; I42-R44 PolarHBondContact O-N 3.31Å; R44-S67 PolarHBondContact NH2-O 3.15Å; R44-D192 WeakPolarHBondContact CD-OD1 3.3Å; R44-D192 IonicContact NH1-OD1 3.45Å; R44-D192 PolarHBondContact NH1-OD1 3.24Å
45	K	96.9	Very high	87.4	Confident	101 Å²	101	55.5 Å²	55.5	44%	0.439	31%	0.308	S	S	.	.	S	Bend	trans	-159.7	162.1	177.8	67.4	-178.6	177.5	178	0	111.1	N40 L43 A47 Q65	N40-K45 VanDerWaalsContact CA-O 3.26Å; N40-K45 WeakPolarHBondContact CA-O 3.46Å; N40-K45 VanDerWaalsContact CB-O 3.29Å; N40-K45 WeakPolarHBondContact CB-O 3.33Å; N40-K45 PolarHBondContact O-N 3.32Å; N40-K45 PolarHBondContact OD1-O 3.11Å; L43-K45 HydrophobicContact CB-CG 4Å; L43-K45 PolarHBondContact O-N 2.97Å; K45-A47 VanDerWaalsContact C-N 3.27Å; K45-A47 HydrophobicContact CG-CB 4.22Å; K45-A47 PolarHBondContact O-N 2.97Å; K45-Q65 VanDerWaalsContact CE-O 3.24Å; K45-Q65 WeakPolarHBondContact CE-O 3.28Å; K45-Q65 PolarHBondContact NZ-O 2.89Å
46	Q	95.5	Very high	85.8	Confident	140 Å²	140	59.2 Å²	59.2	65%	0.654	33%	0.331	S	S	*	.			trans	-75.4	76.8	173.6	-163.3	66.6	32	0	0	111.1	N40 F48	N40-Q46 PolarHBondContact ND2-NE2 3.45Å; Q46-F48 PolarHBondContact NE2-O 3.24Å
47	A	95.3	Very high	84.7	Confident	29 Å²	29	62.1 Å²	62.1	24%	0.24	35%	0.345	C	S	.	.			trans	-84.1	-34.6	-177.6	0	0	0	0	0	113.7	N40 L43 K45 S64	N40-A47 WeakPolarHBondContact OD1-CA 3.35Å; N40-A47 PolarHBondContact OD1-N 3.36Å; L43-A47 HydrophobicContact CD1-CB 3.61Å; K45-A47 VanDerWaalsContact C-N 3.27Å; K45-A47 HydrophobicContact CG-CB 4.22Å; K45-A47 PolarHBondContact O-N 2.97Å; A47-S64 WeakPolarHBondContact CB-OG 3.45Å
48	F	94.3	Very high	83.6	Confident	8 Å²	8	62.6 Å²	62.6	4%	0.035	35%	0.346	C	S	.	.	S	Bend	trans	-127.9	145.1	-175.7	-50.1	-69.3	0	0	0	109.5	L27 N40 L43 Q46 S50 I75 D77	L27-F48 HydrophobicContact CD1-CE2 4.49Å; N40-F48 PolarHBondContact ND2-O 3.2Å; N40-F48 PolarHBondContact OD1-N 3.38Å; N40-F48 PolarHBondContact OD1-O 3.1Å; L43-F48 HydrophobicContact CD1-CE2 4.06Å; L43-F48 HydrophobicContact CD1-CZ 4.37Å; Q46-F48 PolarHBondContact NE2-O 3.24Å; F48-S50 PolarHBondContact O-N 3.37Å; F48-I75 HydrophobicContact CE2-CB 4.13Å; F48-I75 HydrophobicContact CE2-CG2 3.81Å; F48-I75 HydrophobicContact CZ-CB 3.92Å; F48-I75 HydrophobicContact CZ-CG2 3.79Å; F48-D77 HydrophobicContact CD1-CB 3.66Å; F48-D77 HydrophobicContact CE1-CB 3.74Å; F48-D77 HydrophobicContact CG-CB 4.06Å; F48-D77 HydrophobicContact CZ-CB 4.2Å
49	E	88.2	Confident	82.8	Confident	132 Å²	132	69.2 Å²	69.2	62%	0.617	38%	0.375	S	S	*	.			trans	-74.3	108.2	177.5	-161.3	-177.5	177.8	0	0	109.6	K51	E49-K51 HydrophobicContact CG-CG 4.24Å; E49-K51 WeakPolarHBondContact OE1-CE 3.42Å; E49-K51 IonicContact OE1-NZ 2.68Å; E49-K51 PolarHBondContact OE1-NZ 3.34Å; E49-K51 WeakPolarHBondContact OE2-CE 3.37Å; E49-K51 IonicContact OE2-NZ 3.36Å; E49-K51 PolarHBondContact OE2-NZ 2.91Å
50	S	81.1	Confident	82.5	Confident	60 Å²	60	72.4 Å²	72.4	42%	0.42	39%	0.394	S	S	.	.			trans	-91	113.4	177.3	54	0	0	0	0	110.1	F48	F48-S50 PolarHBondContact O-N 3.37Å
51	K	73.1	Confident	82.2	Confident	74 Å²	74	71.8 Å²	71.8	32%	0.322	39%	0.391	S	S	.	.			trans	-111.4	147.3	-175.2	-65.9	-179.4	-177.7	171.7	0	112.6	E49 Q55 T56	E49-K51 HydrophobicContact CG-CG 4.24Å; E49-K51 WeakPolarHBondContact OE1-CE 3.42Å; E49-K51 IonicContact OE1-NZ 2.68Å; E49-K51 PolarHBondContact OE1-NZ 3.34Å; E49-K51 WeakPolarHBondContact OE2-CE 3.37Å; E49-K51 IonicContact OE2-NZ 3.36Å; E49-K51 PolarHBondContact OE2-NZ 2.91Å; K51-Q55 HydrophobicContact CB-CB 4.09Å; K51-Q55 HydrophobicContact CD-CB 3.92Å; K51-Q55 HydrophobicContact CG-CB 4.34Å; K51-T56 VanDerWaalsContact CD-O 3.28Å; K51-T56 WeakPolarHBondContact CD-O 3.44Å
52	L	64	Low	82.1	Confident	137 Å²	137	74 Å²	74	72%	0.717	41%	0.407	S	S	*	.			trans	-75.1	150.8	166	-64.6	174.1	0	0	0	109.6	S54 Q55	L52-S54 PolarHBondContact O-N 3.29Å; L52-Q55 PolarHBondContact O-N 3.41Å
53	G	58.8	Low	82	Confident	80 Å²	80	77.9 Å²	77.9	83%	0.825	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-5.4	-167.5	0	0	0	0	0	117.5
54	S	53.8	Low	82	Confident	115 Å²	115	78.2 Å²	78.2	80%	0.804	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-5.8	173.5	55.7	0	0	0	0	114.2	L52	L52-S54 PolarHBondContact O-N 3.29Å
55	Q	63.6	Low	82.1	Confident	110 Å²	110	76.7 Å²	76.7	51%	0.514	42%	0.424	S	S	.	.	S	Bend	trans	-110.1	161.6	-172.3	-62.9	-177.8	-18.1	0	0	113.5	K51 L52 L57	K51-Q55 HydrophobicContact CB-CB 4.09Å; K51-Q55 HydrophobicContact CD-CB 3.92Å; K51-Q55 HydrophobicContact CG-CB 4.34Å; L52-Q55 PolarHBondContact O-N 3.41Å; Q55-L57 PolarHBondContact O-N 2.94Å; Q55-L57 VanDerWaalsContact O-N 3.15Å
56	T	60.4	Low	82.1	Confident	86 Å²	86	72.9 Å²	72.9	53%	0.528	41%	0.414	S	S	.	.			trans	-48.5	116.5	-176.9	-49.4	0	0	0	0	112.4	K51	K51-T56 VanDerWaalsContact CD-O 3.28Å; K51-T56 WeakPolarHBondContact CD-O 3.44Å
57	L	72.6	Confident	82.1	Confident	72 Å²	72	69.7 Å²	69.7	38%	0.377	41%	0.407	S	S	.	.			trans	-49.2	149.4	177.2	-58.9	177.4	0	0	0	112.6	T31 Q55 K59 D80 W84	T31-L57 HydrophobicContact CG2-CD2 3.57Å; Q55-L57 PolarHBondContact O-N 2.94Å; Q55-L57 VanDerWaalsContact O-N 3.15Å; L57-K59 WeakPolarHBondContact O-CG 3.34Å; L57-K59 PolarHBondContact O-N 3.45Å; L57-K59 VanDerWaalsContact O-N 3.08Å; L57-D80 WeakPolarHBondContact CA-OD2 3.33Å; L57-D80 HydrophobicContact CB-CB 4.09Å; L57-D80 WeakPolarHBondContact CB-OD2 3.49Å; L57-D80 HydrophobicContact CD2-CB 4.4Å; L57-W84 HydrophobicContact CD1-CH2 4.43Å; L57-W84 HydrophobicContact CD1-CZ2 3.6Å
58	T	72.5	Confident	82.1	Confident	32 Å²	32	71 Å²	71	20%	0.196	41%	0.405	C	S	.	.			trans	-64.2	111.9	174.3	-58.3	0	0	0	0	108.5	P79 D80	T58-P79 CarbonylContact O-C 3.59Å; T58-P79 WeakPolarHBondContact O-CA 3.44Å; T58-P79 WeakPolarHBondContact O-CB 3.27Å; T58-D80 PolarHBondContact N-OD2 2.98Å; T58-D80 PolarHBondContact O-N 3.21Å
59	K	82.1	Confident	82	Confident	138 Å²	138	73.6 Å²	73.6	60%	0.6	44%	0.435	S	S	*	.			trans	-91.9	-22.2	-172	-64.4	-170.1	178.6	177.6	0	114.4	L57 M81	L57-K59 WeakPolarHBondContact O-CG 3.34Å; L57-K59 PolarHBondContact O-N 3.45Å; L57-K59 VanDerWaalsContact O-N 3.08Å; K59-M81 WeakPolarHBondContact O-CE 3.35Å
60	T	90.6	Very high	82.1	Confident	67 Å²	67	76 Å²	76	41%	0.411	45%	0.452	S	S	.	.	S	Bend	trans	-138.6	150.5	-174.2	60.8	0	0	0	0	111.8	S62 E94	T60-S62 PolarHBondContact O-N 3.4Å; T60-E94 WeakPolarHBondContact CA-OE2 3.44Å
61	C	93.1	Very high	82.7	Confident	0 Å²	0	77.2 Å²	77.2	0%	0	45%	0.447	C	S	.	.			trans	-61.6	131.7	171.1	-71.9	0	0	0	0	111.6	I76 D77 P79 E94 R97 C98 L101	C61-I76 HydrophobicContact CB-CG2 4.46Å; C61-D77 WeakPolarHBondContact CA-O 3.34Å; C61-P79 WeakPolarHBondContact SG-CD 3.41Å; C61-E94 PolarHBondContact N-OE2 3.14Å; C61-R97 HydrophobicContact CB-CG 4.28Å; C61-R97 PolarHBondContact O-NE 3.3Å; C61-R97 VanDerWaalsContact O-NE 3.12Å; C61-R97 PolarHBondContact O-NH2 2.9Å; C61-C98 VanDerWaalsContact SG-CB 3.6Å; C61-L101 HydrophobicContact CB-CD1 3.94Å
62	S	94.9	Very high	83.8	Confident	51 Å²	51	78.1 Å²	78.1	36%	0.357	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	133.1	177.2	-65	0	0	0	0	109.8	T60 I76 D77	T60-S62 PolarHBondContact O-N 3.4Å; S62-I76 WeakPolarHBondContact O-CA 3.36Å; S62-D77 PolarHBondContact N-O 2.99Å; S62-D77 VanDerWaalsContact N-O 3.17Å; S62-D77 PolarHBondContact O-N 2.93Å
63	K	97.4	Very high	85.5	Confident	85 Å²	85	71.8 Å²	71.8	37%	0.37	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	132.6	175.3	170.4	172.5	163.5	159.6	0	109	E22 Q65 V74 I75 L101	E22-K63 IonicContact OE2-NZ 2.69Å; K63-Q65 VanDerWaalsContact CE-CD 3.47Å; K63-V74 HydrophobicContact CD-CG1 3.88Å; K63-V74 VanDerWaalsContact CE-CG1 3.43Å; K63-V74 HydrophobicContact CG-CG1 4Å; K63-I75 WeakPolarHBondContact CA-O 3.49Å; K63-L101 HydrophobicContact CB-CD1 4.4Å; K63-L101 HydrophobicContact CB-CD2 4.22Å; K63-L101 HydrophobicContact CD-CD2 4.32Å
64	S	97.9	Very high	87.4	Confident	20 Å²	20	68 Å²	68	14%	0.14	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	158.8	168.9	-164.3	0	0	0	0	110.3	A47 I75	A47-S64 WeakPolarHBondContact CB-OG 3.45Å; S64-I75 PolarHBondContact N-O 3.17Å; S64-I75 PolarHBondContact O-N 3.48Å
65	Q	97.5	Very high	89.5	Confident	74 Å²	74	62.5 Å²	62.5	35%	0.346	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	149.7	-171.7	-46.6	-173.3	116.3	0	0	110.3	K45 K63 I73 V74	K45-Q65 VanDerWaalsContact CE-O 3.24Å; K45-Q65 WeakPolarHBondContact CE-O 3.28Å; K45-Q65 PolarHBondContact NZ-O 2.89Å; K63-Q65 VanDerWaalsContact CE-CD 3.47Å; Q65-I73 CarbonylContact C-O 3.55Å; Q65-I73 VanDerWaalsContact CA-O 3.23Å; Q65-I73 WeakPolarHBondContact CA-O 3.04Å; Q65-V74 HydrophobicContact CB-CG2 4.19Å; Q65-V74 HydrophobicContact CG-CB 4.49Å; Q65-V74 HydrophobicContact CG-CG1 4.37Å; Q65-V74 HydrophobicContact CG-CG2 3.75Å; Q65-V74 VanDerWaalsContact OE1-CG2 3.28Å
66	G	96.8	Very high	91.1	Very high	21 Å²	21	57.2 Å²	57.2	22%	0.216	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	-161	175.4	0	0	0	0	0	110.1	I73	G66-I73 PolarHBondContact N-O 3.09Å; G66-I73 PolarHBondContact O-N 3.34Å
67	S	96.2	Very high	92.9	Very high	72 Å²	72	53.3 Å²	53.3	50%	0.503	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	148.3	178.7	56.1	0	0	0	0	112	R44 R71	R44-S67 PolarHBondContact NH2-O 3.15Å; S67-R71 WeakPolarHBondContact CA-O 3.34Å
68	W	95	Very high	94	Very high	56 Å²	56	50 Å²	50	21%	0.212	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	118.9	168.7	-177.8	-97.3	0	0	0	108.3	N70 R71 I73 D192 V195 K196 M199	W68-N70 PolarHBondContact O-N 2.89Å; W68-R71 PolarHBondContact N-O 3.4Å; W68-R71 PolarHBondContact O-N 3.42Å; W68-R71 VanDerWaalsContact O-N 3.08Å; W68-I73 HydrophobicContact CB-CD1 4.06Å; W68-I73 HydrophobicContact CB-CG1 3.91Å; W68-D192 WeakPolarHBondContact CH2-O 3.27Å; W68-V195 HydrophobicContact CD2-CG1 4.12Å; W68-V195 HydrophobicContact CE3-CG1 3.58Å; W68-V195 HydrophobicContact CH2-CB 4.08Å; W68-V195 HydrophobicContact CH2-CG1 3.92Å; W68-V195 HydrophobicContact CZ2-CG1 4.41Å; W68-V195 HydrophobicContact CZ3-CB 3.92Å; W68-V195 HydrophobicContact CZ3-CG1 3.47Å; W68-V195 VanDerWaalsContact CZ3-CG1 3.47Å; W68-K196 HydrophobicContact CH2-CB 4.21Å; W68-K196 HydrophobicContact CZ2-CB 3.79Å; W68-K196 HydrophobicContact CZ2-CG 4.47Å; W68-M199 HydrophobicContact CB-CE 3.87Å; W68-M199 HydrophobicContact CB-SD 4.33Å; W68-M199 HydrophobicContact CD2-CE 4.43Å; W68-M199 HydrophobicContact CD2-CG 4.06Å; W68-M199 HydrophobicContact CG-CE 3.96Å; W68-M199 HydrophobicContact CG-CG 3.88Å; W68-M199 HydrophobicContact CG-SD 4.1Å
69	G	91.7	Very high	95	Very high	64 Å²	64	48.5 Å²	48.5	66%	0.66	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	-127.3	-165.6	0	0	0	0	0	111.4
70	N	91.3	Very high	95.2	Very high	181 Å²	181	42.4 Å²	42.4	97%	0.968	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.6	11.1	179	-65.8	-33	0	0	0	113.8	W68	W68-N70 PolarHBondContact O-N 2.89Å
71	R	94	Very high	95.1	Very high	86 Å²	86	40 Å²	40	33%	0.325	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	133.7	-175.9	-164.5	172.7	-167.5	-179.9	-1.8	111.3	S21 L23 S67 W68 I73	S21-R71 PolarHBondContact O-NE 2.96Å; S21-R71 VanDerWaalsContact O-NE 3.14Å; L23-R71 HydrophobicContact CB-CG 4.49Å; S67-R71 WeakPolarHBondContact CA-O 3.34Å; W68-R71 PolarHBondContact N-O 3.4Å; W68-R71 PolarHBondContact O-N 3.42Å; W68-R71 VanDerWaalsContact O-N 3.08Å; R71-I73 HydrophobicContact CB-CD1 4.5Å; R71-I73 HydrophobicContact CG-CD1 4.43Å
72	E	96.8	Very high	95	Very high	94 Å²	94	40.6 Å²	40.6	44%	0.439	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	132.4	170.2	-176.3	174.4	-153.2	0	0	109.8	L23 V74	L23-E72 PolarHBondContact N-O 3.35Å; E72-V74 HydrophobicContact CG-CG2 4.33Å
73	I	98.1	Very high	94.7	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.015	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	125.7	179.7	-46.7	-62	0	0	0	108.3	L23 I25 I42 L43 Q65 G66 W68 R71 I75 M199	L23-I73 HydrophobicContact CB-CD1 3.88Å; L23-I73 HydrophobicContact CD2-CD1 3.68Å; L23-I73 HydrophobicContact CD2-CG2 4.49Å; L23-I73 HydrophobicContact CG-CD1 4.4Å; I25-I73 HydrophobicContact CD1-CG2 4.02Å; I42-I73 HydrophobicContact CG2-CG2 4.43Å; L43-I73 HydrophobicContact CD2-CB 4.34Å; L43-I73 HydrophobicContact CD2-CG2 4.35Å; Q65-I73 CarbonylContact C-O 3.55Å; Q65-I73 VanDerWaalsContact CA-O 3.23Å; Q65-I73 WeakPolarHBondContact CA-O 3.04Å; G66-I73 PolarHBondContact N-O 3.09Å; G66-I73 PolarHBondContact O-N 3.34Å; W68-I73 HydrophobicContact CB-CD1 4.06Å; W68-I73 HydrophobicContact CB-CG1 3.91Å; R71-I73 HydrophobicContact CB-CD1 4.5Å; R71-I73 HydrophobicContact CG-CD1 4.43Å; I73-I75 HydrophobicContact CG2-CD1 4.38Å; I73-I75 HydrophobicContact CG2-CG1 4.03Å; I73-M199 HydrophobicContact CD1-CE 4.06Å; I73-M199 HydrophobicContact CD1-SD 4.31Å; I73-M199 HydrophobicContact CG1-CE 4.21Å
74	V	98.4	Very high	94.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	121.6	177.7	174.9	0	0	0	0	109.2	E22 L23 R24 I25 K63 Q65 E72 I76	E22-V74 HydrophobicContact CG-CB 4.1Å; E22-V74 HydrophobicContact CG-CG2 3.51Å; E22-V74 WeakPolarHBondContact OE2-CG2 3.37Å; L23-V74 PolarHBondContact O-N 3.17Å; R24-V74 CarbonylContact C-O 3.5Å; R24-V74 WeakPolarHBondContact CA-O 3.44Å; R24-V74 HydrophobicContact CG-CB 4.37Å; I25-V74 PolarHBondContact N-O 3.49Å; K63-V74 HydrophobicContact CD-CG1 3.88Å; K63-V74 VanDerWaalsContact CE-CG1 3.43Å; K63-V74 HydrophobicContact CG-CG1 4Å; Q65-V74 HydrophobicContact CB-CG2 4.19Å; Q65-V74 HydrophobicContact CG-CB 4.49Å; Q65-V74 HydrophobicContact CG-CG1 4.37Å; Q65-V74 HydrophobicContact CG-CG2 3.75Å; Q65-V74 VanDerWaalsContact OE1-CG2 3.28Å; E72-V74 HydrophobicContact CG-CG2 4.33Å; V74-I76 HydrophobicContact CG1-CD1 4.15Å
75	I	98.6	Very high	93.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	130.7	-177.8	-54.6	-168.7	0	0	0	109.3	I25 L27 I42 L43 F48 K63 S64 I73	I25-I75 HydrophobicContact CB-CG1 4.32Å; I25-I75 CarbonylContact O-C 3.21Å; I25-I75 WeakPolarHBondContact O-CA 3.47Å; L27-I75 HydrophobicContact CD1-CG2 3.59Å; L27-I75 HydrophobicContact CD2-CG2 3.98Å; L27-I75 HydrophobicContact CG-CG2 3.56Å; I42-I75 HydrophobicContact CB-CD1 3.8Å; I42-I75 HydrophobicContact CD1-CD1 4.06Å; I42-I75 HydrophobicContact CG2-CD1 3.65Å; L43-I75 HydrophobicContact CD1-CB 4.33Å; L43-I75 HydrophobicContact CD1-CD1 4.11Å; L43-I75 HydrophobicContact CD1-CG1 4.27Å; L43-I75 HydrophobicContact CD2-CD1 3.94Å; L43-I75 HydrophobicContact CD2-CG1 4.11Å; L43-I75 HydrophobicContact CG-CD1 3.69Å; L43-I75 HydrophobicContact CG-CG1 4.2Å; F48-I75 HydrophobicContact CE2-CB 4.13Å; F48-I75 HydrophobicContact CE2-CG2 3.81Å; F48-I75 HydrophobicContact CZ-CB 3.92Å; F48-I75 HydrophobicContact CZ-CG2 3.79Å; K63-I75 WeakPolarHBondContact CA-O 3.49Å; S64-I75 PolarHBondContact N-O 3.17Å; S64-I75 PolarHBondContact O-N 3.48Å; I73-I75 HydrophobicContact CG2-CD1 4.38Å; I73-I75 HydrophobicContact CG2-CG1 4.03Å
76	I	98.4	Very high	92.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	111.7	172.4	-56.5	84.7	0	0	0	107.4	I25 I26 L27 C61 S62 V74 L101	I25-I76 PolarHBondContact O-N 2.89Å; I26-I76 HydrophobicContact CG1-CB 4.31Å; I26-I76 HydrophobicContact CG1-CD1 4.3Å; L27-I76 PolarHBondContact N-O 3.1Å; C61-I76 HydrophobicContact CB-CG2 4.46Å; S62-I76 WeakPolarHBondContact O-CA 3.36Å; V74-I76 HydrophobicContact CG1-CD1 4.15Å; I76-L101 HydrophobicContact CG1-CB 4.16Å
77	D	97.4	Very high	92.2	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.016	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	128.6	171.2	-167.5	23.3	0	0	0	109.4	L27 S36 F48 C61 S62	L27-D77 HydrophobicContact CD1-CB 4.34Å; S36-D77 VanDerWaalsContact CB-OD2 3.32Å; S36-D77 WeakPolarHBondContact CB-OD2 3.49Å; S36-D77 PolarHBondContact OG-OD2 2.96Å; F48-D77 HydrophobicContact CD1-CB 3.66Å; F48-D77 HydrophobicContact CE1-CB 3.74Å; F48-D77 HydrophobicContact CG-CB 4.06Å; F48-D77 HydrophobicContact CZ-CB 4.2Å; C61-D77 WeakPolarHBondContact CA-O 3.34Å; S62-D77 PolarHBondContact N-O 2.99Å; S62-D77 VanDerWaalsContact N-O 3.17Å; S62-D77 PolarHBondContact O-N 2.93Å
78	T	95.7	Very high	91.8	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.012	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-94	146.4	-176.9	60.2	0	0	0	0	111.5	I26 L27 V28 F82	I26-T78 HydrophobicContact CG2-CG2 3.53Å; L27-T78 WeakPolarHBondContact O-CB 3.44Å; L27-T78 VanDerWaalsContact O-CG2 3.29Å; L27-T78 WeakPolarHBondContact O-CG2 3.42Å; L27-T78 PolarHBondContact O-OG1 3.38Å; V28-T78 HydrophobicContact CG1-CG2 4.19Å; T78-F82 HydrophobicContact CG2-CD2 3.76Å; T78-F82 HydrophobicContact CG2-CE2 3.68Å
79	P	92.8	Very high	91.7	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.006	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-68.9	153.3	178.3	30.3	-36.1	0	0	0	111.1	T58 C61 M81 F82 E94	T58-P79 CarbonylContact O-C 3.59Å; T58-P79 WeakPolarHBondContact O-CA 3.44Å; T58-P79 WeakPolarHBondContact O-CB 3.27Å; C61-P79 WeakPolarHBondContact SG-CD 3.41Å; P79-M81 HydrophobicContact CB-CE 4.4Å; P79-M81 HydrophobicContact CB-CG 4.08Å; P79-M81 HydrophobicContact CG-CG 3.9Å; P79-M81 PolarHBondContact O-N 3.12Å; P79-M81 VanDerWaalsContact O-N 3.08Å; P79-F82 HydrophobicContact CG-CD1 3.57Å; P79-F82 HydrophobicContact CG-CE1 3.48Å; P79-F82 VanDerWaalsContact CG-CE1 3.48Å; P79-F82 HydrophobicContact CG-CG 4.33Å; P79-F82 HydrophobicContact CG-CZ 4.17Å; P79-F82 WeakPolarHBondContact O-CB 3.36Å; P79-F82 PolarHBondContact O-N 3.49Å; P79-E94 HydrophobicContact CG-CB 4.15Å; P79-E94 HydrophobicContact CG-CG 4.46Å
80	D	87.3	Confident	91.7	Very high	10 Å²	10	51.3 Å²	51.3	5%	0.053	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-59.3	-27.3	-178.8	-75.6	-46.5	0	0	0	112.7	T31 K35 L57 T58 F82 S83 W84	T31-D80 WeakPolarHBondContact CA-OD1 3.36Å; T31-D80 WeakPolarHBondContact CB-OD1 3.34Å; T31-D80 HydrophobicContact CG2-CB 4.4Å; T31-D80 WeakPolarHBondContact CG2-OD1 3.25Å; T31-D80 WeakPolarHBondContact OG1-CB 3.25Å; T31-D80 PolarHBondContact OG1-OD1 3.37Å; K35-D80 IonicContact NZ-OD1 2.84Å; K35-D80 PolarHBondContact NZ-OD1 3.49Å; L57-D80 WeakPolarHBondContact CA-OD2 3.33Å; L57-D80 HydrophobicContact CB-CB 4.09Å; L57-D80 WeakPolarHBondContact CB-OD2 3.49Å; L57-D80 HydrophobicContact CD2-CB 4.4Å; T58-D80 PolarHBondContact N-OD2 2.98Å; T58-D80 PolarHBondContact O-N 3.21Å; D80-F82 PolarHBondContact O-N 2.98Å; D80-F82 VanDerWaalsContact O-N 3.11Å; D80-S83 PolarHBondContact O-N 3.43Å; D80-S83 PolarHBondContact O-OG 3.33Å; D80-W84 PolarHBondContact O-NE1 3.46Å
81	M	88.5	Confident	91.7	Very high	17 Å²	17	42.8 Å²	42.8	8%	0.084	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-60.9	-18.7	177.1	75.3	-179.9	68	0	0	114.4	K59 P79 S83 W84 A90 L91 E94	K59-M81 WeakPolarHBondContact O-CE 3.35Å; P79-M81 HydrophobicContact CB-CE 4.4Å; P79-M81 HydrophobicContact CB-CG 4.08Å; P79-M81 HydrophobicContact CG-CG 3.9Å; P79-M81 PolarHBondContact O-N 3.12Å; P79-M81 VanDerWaalsContact O-N 3.08Å; M81-S83 PolarHBondContact O-N 3.37Å; M81-W84 VanDerWaalsContact CA-CD2 3.46Å; M81-W84 HydrophobicContact CB-CD2 3.84Å; M81-W84 HydrophobicContact CB-CE3 3.57Å; M81-W84 HydrophobicContact CB-CH2 3.85Å; M81-W84 HydrophobicContact CB-CZ2 4.08Å; M81-W84 HydrophobicContact CB-CZ3 3.59Å; M81-W84 PolarHBondContact O-N 3.39Å; M81-A90 HydrophobicContact SD-CB 4.36Å; M81-L91 HydrophobicContact CG-CD1 4.25Å; M81-L91 HydrophobicContact SD-CB 4.46Å; M81-E94 HydrophobicContact SD-CB 4.34Å; M81-E94 HydrophobicContact SD-CG 4.21Å
82	F	91.4	Very high	91.7	Very high	12 Å²	12	40.1 Å²	40.1	5%	0.053	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-65.3	-24.1	174.9	-79.5	24.1	0	0	0	111.6	T78 P79 D80 L91 E94 V95 C98 R128 I132	T78-F82 HydrophobicContact CG2-CD2 3.76Å; T78-F82 HydrophobicContact CG2-CE2 3.68Å; P79-F82 HydrophobicContact CG-CD1 3.57Å; P79-F82 HydrophobicContact CG-CE1 3.48Å; P79-F82 VanDerWaalsContact CG-CE1 3.48Å; P79-F82 HydrophobicContact CG-CG 4.33Å; P79-F82 HydrophobicContact CG-CZ 4.17Å; P79-F82 WeakPolarHBondContact O-CB 3.36Å; P79-F82 PolarHBondContact O-N 3.49Å; D80-F82 PolarHBondContact O-N 2.98Å; D80-F82 VanDerWaalsContact O-N 3.11Å; F82-L91 HydrophobicContact CD1-CD1 3.77Å; F82-L91 HydrophobicContact CE1-CD1 4.19Å; F82-E94 HydrophobicContact CE1-CB 3.85Å; F82-E94 HydrophobicContact CZ-CB 4.41Å; F82-V95 HydrophobicContact CD1-CG2 4.37Å; F82-V95 HydrophobicContact CE1-CG2 3.76Å; F82-V95 HydrophobicContact CE2-CG2 4.34Å; F82-V95 HydrophobicContact CZ-CB 4.34Å; F82-V95 HydrophobicContact CZ-CG2 3.76Å; F82-C98 HydrophobicContact CE2-CB 4Å; F82-C98 HydrophobicContact CZ-CB 3.91Å; F82-R128 WeakPolarHBondContact O-CB 3.42Å; F82-R128 WeakPolarHBondContact O-CG 3.27Å; F82-R128 PolarHBondContact O-NE 2.93Å; F82-I132 HydrophobicContact CB-CD1 4.1Å; F82-I132 HydrophobicContact CD2-CD1 3.94Å; F82-I132 HydrophobicContact CG-CD1 3.97Å
83	S	87.9	Confident	91.6	Very high	15 Å²	15	42.7 Å²	42.7	11%	0.105	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-88.4	-8.9	177.8	70.1	0	0	0	0	114.3	D80 M81 Q124	D80-S83 PolarHBondContact O-N 3.43Å; D80-S83 PolarHBondContact O-OG 3.33Å; M81-S83 PolarHBondContact O-N 3.37Å; S83-Q124 WeakPolarHBondContact O-CG 3.34Å
84	W	87.9	Confident	91.4	Very high	103 Å²	103	43.4 Å²	43.4	39%	0.39	21%	0.212	S	C	.	.			trans	-78.1	155.2	-176.2	-58.3	-9.2	0	0	0	112.4	L57 D80 M81 R128	L57-W84 HydrophobicContact CD1-CH2 4.43Å; L57-W84 HydrophobicContact CD1-CZ2 3.6Å; D80-W84 PolarHBondContact O-NE1 3.46Å; M81-W84 VanDerWaalsContact CA-CD2 3.46Å; M81-W84 HydrophobicContact CB-CD2 3.84Å; M81-W84 HydrophobicContact CB-CE3 3.57Å; M81-W84 HydrophobicContact CB-CH2 3.85Å; M81-W84 HydrophobicContact CB-CZ2 4.08Å; M81-W84 HydrophobicContact CB-CZ3 3.59Å; M81-W84 PolarHBondContact O-N 3.39Å; W84-R128 WeakPolarHBondContact O-CD 3.45Å; W84-R128 PolarHBondContact O-NE 3.3Å
85	K	82.8	Confident	91.3	Very high	143 Å²	143	43.4 Å²	43.4	62%	0.622	21%	0.212	S	C	*	.	S	Bend	trans	-68.9	-41.3	174.4	-75.7	178.8	-177	-178.6	0	112.4	H87	K85-H87 PolarHBondContact O-ND1 2.62Å
86	D	82.2	Confident	91.1	Very high	128 Å²	128	44.4 Å²	44.4	68%	0.684	22%	0.217	S	C	*	.			trans	-79.8	137.5	-167	-59.6	-27.4	0	0	0	111.1
87	H	84.5	Confident	91	Very high	57 Å²	57	50 Å²	50	26%	0.264	24%	0.238	S	C	.	.			trans	-93.9	123.9	175.5	-66	56.4	0	0	0	108.3	K85 L91 M247 R251	K85-H87 PolarHBondContact O-ND1 2.62Å; H87-L91 HydrophobicContact CB-CD2 4.5Å; H87-M247 WeakPolarHBondContact NE2-CE 3.44Å; H87-R251 PolarHBondContact CE1-NH1 3.42Å; H87-R251 PolarHBondContact NE2-NH1 3.21Å; H87-R251 VanDerWaalsContact NE2-NH1 3.16Å
88	C	88.1	Confident	91	Very high	51 Å²	51	49.8 Å²	49.8	35%	0.345	24%	0.237	S	C	.	.			trans	-131.1	162.5	177.4	69.3	0	0	0	0	111	A90 L91 Y92	C88-A90 PolarHBondContact O-N 3.28Å; C88-L91 VanDerWaalsContact O-CB 3.32Å; C88-L91 WeakPolarHBondContact O-CB 3.4Å; C88-L91 PolarHBondContact O-N 2.98Å; C88-L91 PolarHBondContact SG-N 3.01Å; C88-L91 VanDerWaalsContact SG-N 3.41Å; C88-Y92 WeakPolarHBondContact O-CD2 3.36Å; C88-Y92 PolarHBondContact O-N 2.88Å
89	E	91	Very high	91.1	Very high	125 Å²	125	49.7 Å²	49.7	58%	0.584	24%	0.237	S	C	*	.	H	α-helix	trans	-56.3	-36.7	177.8	-73.5	-61.4	137.7	0	0	112.9	L91 Y92 K93 K240	E89-L91 VanDerWaalsContact C-N 3.33Å; E89-L91 PolarHBondContact O-N 3.2Å; E89-Y92 PolarHBondContact O-N 2.99Å; E89-K93 PolarHBondContact O-N 3.31Å; E89-K240 WeakPolarHBondContact OE1-CE 3.35Å; E89-K240 IonicContact OE1-NZ 3.73Å; E89-K240 PolarHBondContact OE1-NZ 2.8Å; E89-K240 WeakPolarHBondContact OE2-CE 3.23Å; E89-K240 IonicContact OE2-NZ 2.62Å; E89-K240 PolarHBondContact OE2-NZ 3.39Å
90	A	91.8	Very high	91.2	Very high	47 Å²	47	54.2 Å²	54.2	39%	0.388	26%	0.26	S	S	.	.	H	α-helix	trans	-64.2	-36.8	176.7	0	0	0	0	0	112.3	M81 C88 K93 E94	M81-A90 HydrophobicContact SD-CB 4.36Å; C88-A90 PolarHBondContact O-N 3.28Å; A90-K93 PolarHBondContact O-N 3.35Å; A90-E94 WeakPolarHBondContact O-CB 3.37Å; A90-E94 WeakPolarHBondContact O-CG 3.43Å; A90-E94 PolarHBondContact O-N 2.91Å
91	L	93.2	Very high	91.6	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-60.8	-50.5	177	173.7	70.5	0	0	0	110.8	M81 F82 H87 C88 E89 K93 E94 V95 M247	M81-L91 HydrophobicContact CG-CD1 4.25Å; M81-L91 HydrophobicContact SD-CB 4.46Å; F82-L91 HydrophobicContact CD1-CD1 3.77Å; F82-L91 HydrophobicContact CE1-CD1 4.19Å; H87-L91 HydrophobicContact CB-CD2 4.5Å; C88-L91 VanDerWaalsContact O-CB 3.32Å; C88-L91 WeakPolarHBondContact O-CB 3.4Å; C88-L91 PolarHBondContact O-N 2.98Å; C88-L91 PolarHBondContact SG-N 3.01Å; C88-L91 VanDerWaalsContact SG-N 3.41Å; E89-L91 VanDerWaalsContact C-N 3.33Å; E89-L91 PolarHBondContact O-N 3.2Å; L91-K93 VanDerWaalsContact C-N 3.28Å; L91-K93 PolarHBondContact O-N 2.88Å; L91-E94 PolarHBondContact O-N 3.2Å; L91-V95 HydrophobicContact CD1-CG2 4.01Å; L91-V95 HydrophobicContact CG-CG2 4.3Å; L91-V95 WeakPolarHBondContact O-CB 3.39Å; L91-V95 VanDerWaalsContact O-CG2 3.3Å; L91-V95 WeakPolarHBondContact O-CG2 3.48Å; L91-V95 PolarHBondContact O-N 3.1Å; L91-M247 HydrophobicContact CD2-CE 4.47Å
92	Y	93.8	Very high	92	Very high	30 Å²	30	55.3 Å²	55.3	12%	0.118	27%	0.266	C	S	.	.	H	α-helix	trans	-61.4	-39.5	-178.4	-60.6	-55.1	0	0	0	112.1	C88 E89 Q96 K240 L243 I244 M247	C88-Y92 WeakPolarHBondContact O-CD2 3.36Å; C88-Y92 PolarHBondContact O-N 2.88Å; E89-Y92 PolarHBondContact O-N 2.99Å; Y92-Q96 WeakPolarHBondContact O-CB 3.47Å; Y92-Q96 PolarHBondContact O-N 2.92Å; Y92-K240 HydrophobicContact CG-CG 4.41Å; Y92-L243 HydrophobicContact CD1-CD2 3.75Å; Y92-L243 HydrophobicContact CD1-CG 4.26Å; Y92-L243 HydrophobicContact CG-CD2 4.5Å; Y92-I244 HydrophobicContact CD1-CG1 4.17Å; Y92-I244 HydrophobicContact CE1-CD1 4.48Å; Y92-I244 HydrophobicContact CE1-CG1 3.62Å; Y92-I244 HydrophobicContact CE2-CD1 4.25Å; Y92-I244 HydrophobicContact CE2-CG1 4.24Å; Y92-M247 HydrophobicContact CD1-SD 4.41Å; Y92-M247 HydrophobicContact CE1-SD 4.01Å
93	K	93.4	Very high	92.2	Very high	149 Å²	149	55.5 Å²	55.5	65%	0.648	27%	0.27	S	S	*	.	H	α-helix	trans	-63.8	-45.1	175.7	-174.9	179.1	178.8	-180	0	112	E89 A90 L91 Q96 R97	E89-K93 PolarHBondContact O-N 3.31Å; A90-K93 PolarHBondContact O-N 3.35Å; L91-K93 VanDerWaalsContact C-N 3.28Å; L91-K93 PolarHBondContact O-N 2.88Å; K93-Q96 PolarHBondContact O-N 3.15Å; K93-R97 WeakPolarHBondContact O-CB 3.5Å; K93-R97 PolarHBondContact O-N 3.48Å
94	E	94.7	Very high	92.6	Very high	17 Å²	17	56.3 Å²	56.3	8%	0.079	28%	0.275	C	S	.	.	H	α-helix	trans	-72.2	-33.7	179.6	-72.8	-56.3	126.8	0	0	112.6	T60 C61 P79 M81 F82 A90 L91 R97 C98	T60-E94 WeakPolarHBondContact CA-OE2 3.44Å; C61-E94 PolarHBondContact N-OE2 3.14Å; P79-E94 HydrophobicContact CG-CB 4.15Å; P79-E94 HydrophobicContact CG-CG 4.46Å; M81-E94 HydrophobicContact SD-CB 4.34Å; M81-E94 HydrophobicContact SD-CG 4.21Å; F82-E94 HydrophobicContact CE1-CB 3.85Å; F82-E94 HydrophobicContact CZ-CB 4.41Å; A90-E94 WeakPolarHBondContact O-CB 3.37Å; A90-E94 WeakPolarHBondContact O-CG 3.43Å; A90-E94 PolarHBondContact O-N 2.91Å; L91-E94 PolarHBondContact O-N 3.2Å; E94-R97 WeakPolarHBondContact O-CB 3.41Å; E94-R97 PolarHBondContact O-N 3.37Å; E94-R97 WeakPolarHBondContact OE2-CD 3.47Å; E94-C98 WeakPolarHBondContact O-CB 3.45Å; E94-C98 PolarHBondContact O-N 3.29Å
95	V	96	Very high	93	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.9	-48.4	170.1	172.7	0	0	0	0	110	F82 L91 R97 C98 Y99 I132 L243	F82-V95 HydrophobicContact CD1-CG2 4.37Å; F82-V95 HydrophobicContact CE1-CG2 3.76Å; F82-V95 HydrophobicContact CE2-CG2 4.34Å; F82-V95 HydrophobicContact CZ-CB 4.34Å; F82-V95 HydrophobicContact CZ-CG2 3.76Å; L91-V95 HydrophobicContact CD1-CG2 4.01Å; L91-V95 HydrophobicContact CG-CG2 4.3Å; L91-V95 WeakPolarHBondContact O-CB 3.39Å; L91-V95 VanDerWaalsContact O-CG2 3.3Å; L91-V95 WeakPolarHBondContact O-CG2 3.48Å; L91-V95 PolarHBondContact O-N 3.1Å; V95-R97 VanDerWaalsContact C-N 3.29Å; V95-R97 PolarHBondContact O-N 2.93Å; V95-C98 WeakPolarHBondContact O-CB 3.47Å; V95-C98 PolarHBondContact O-N 3.48Å; V95-C98 VanDerWaalsContact O-N 3.1Å; V95-Y99 HydrophobicContact CG1-CD2 3.7Å; V95-Y99 HydrophobicContact CG1-CE2 3.74Å; V95-Y99 WeakPolarHBondContact O-CD2 3.38Å; V95-Y99 PolarHBondContact O-N 2.96Å; V95-I132 HydrophobicContact CG1-CG2 3.74Å; V95-I132 HydrophobicContact CG2-CD1 4.18Å; V95-I132 HydrophobicContact CG2-CG1 4.31Å; V95-I132 HydrophobicContact CG2-CG2 4.13Å; V95-L243 HydrophobicContact CB-CD2 3.71Å; V95-L243 HydrophobicContact CG1-CD1 3.68Å; V95-L243 HydrophobicContact CG1-CD2 3.51Å; V95-L243 HydrophobicContact CG1-CG 4.26Å; V95-L243 HydrophobicContact CG2-CD2 4.49Å
96	Q	94.9	Very high	93.8	Very high	21 Å²	21	44.6 Å²	44.6	10%	0.098	23%	0.227	C	C	.	.	H	α-helix	trans	-56.6	-44.1	174.6	-175	178.6	5.8	0	0	112	Y92 K93 C98 Y99 L100 F239	Y92-Q96 WeakPolarHBondContact O-CB 3.47Å; Y92-Q96 PolarHBondContact O-N 2.92Å; K93-Q96 PolarHBondContact O-N 3.15Å; Q96-C98 VanDerWaalsContact C-N 3.35Å; Q96-C98 PolarHBondContact O-N 3.5Å; Q96-Y99 PolarHBondContact O-N 3.22Å; Q96-L100 HydrophobicContact CG-CD1 4.06Å; Q96-L100 HydrophobicContact CG-CG 4.49Å; Q96-L100 WeakPolarHBondContact O-CB 3.32Å; Q96-L100 WeakPolarHBondContact O-CG 3.42Å; Q96-L100 PolarHBondContact O-N 3Å; Q96-F239 HydrophobicContact CB-CD1 3.49Å; Q96-F239 VanDerWaalsContact CB-CD1 3.49Å; Q96-F239 HydrophobicContact CB-CE1 3.49Å; Q96-F239 VanDerWaalsContact CB-CE1 3.49Å; Q96-F239 HydrophobicContact CB-CG 4.36Å; Q96-F239 HydrophobicContact CB-CZ 4.35Å; Q96-F239 HydrophobicContact CG-CB 4.37Å; Q96-F239 HydrophobicContact CG-CD1 3.43Å; Q96-F239 VanDerWaalsContact CG-CD1 3.43Å; Q96-F239 HydrophobicContact CG-CD2 4.39Å; Q96-F239 HydrophobicContact CG-CE1 3.75Å; Q96-F239 HydrophobicContact CG-CG 3.79Å; Q96-F239 HydrophobicContact CG-CZ 4.35Å
97	R	95.2	Very high	94.6	Very high	117 Å²	117	38.8 Å²	38.8	44%	0.442	20%	0.195	S	C	.	.	H	α-helix	trans	-59.2	-45	175.3	-175	-175.9	173.2	98.4	-2	111.5	C61 K93 E94 V95 Y99 L100 L101	C61-R97 HydrophobicContact CB-CG 4.28Å; C61-R97 PolarHBondContact O-NE 3.3Å; C61-R97 VanDerWaalsContact O-NE 3.12Å; C61-R97 PolarHBondContact O-NH2 2.9Å; K93-R97 WeakPolarHBondContact O-CB 3.5Å; K93-R97 PolarHBondContact O-N 3.48Å; E94-R97 WeakPolarHBondContact O-CB 3.41Å; E94-R97 PolarHBondContact O-N 3.37Å; E94-R97 WeakPolarHBondContact OE2-CD 3.47Å; V95-R97 VanDerWaalsContact C-N 3.29Å; V95-R97 PolarHBondContact O-N 2.93Å; R97-Y99 PolarHBondContact O-N 3.43Å; R97-L100 PolarHBondContact O-N 3.27Å; R97-L101 HydrophobicContact CG-CD1 3.97Å; R97-L101 HydrophobicContact CG-CG 4.41Å; R97-L101 WeakPolarHBondContact O-CB 3.4Å; R97-L101 VanDerWaalsContact O-CG 3.27Å; R97-L101 WeakPolarHBondContact O-CG 3.24Å; R97-L101 PolarHBondContact O-N 3.46Å
98	C	97.3	Very high	95.2	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-58.2	-48.1	176.7	-172.7	0	0	0	0	111.6	C61 F82 E94 V95 Q96 L100 L101 S102	C61-C98 VanDerWaalsContact SG-CB 3.6Å; F82-C98 HydrophobicContact CE2-CB 4Å; F82-C98 HydrophobicContact CZ-CB 3.91Å; E94-C98 WeakPolarHBondContact O-CB 3.45Å; E94-C98 PolarHBondContact O-N 3.29Å; V95-C98 WeakPolarHBondContact O-CB 3.47Å; V95-C98 PolarHBondContact O-N 3.48Å; V95-C98 VanDerWaalsContact O-N 3.1Å; Q96-C98 VanDerWaalsContact C-N 3.35Å; Q96-C98 PolarHBondContact O-N 3.5Å; C98-L100 PolarHBondContact O-N 2.86Å; C98-L101 PolarHBondContact O-N 3.27Å; C98-S102 WeakPolarHBondContact O-CB 3.43Å; C98-S102 PolarHBondContact O-N 2.94Å; C98-S102 PolarHBondContact O-OG 2.97Å
99	Y	97.3	Very high	95.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-62	-40.8	176.9	-91.9	-94.3	0	0	0	112.5	V95 Q96 R97 S102 A103 I132 F133 N216 L218 Y219 I222 F239	V95-Y99 HydrophobicContact CG1-CD2 3.7Å; V95-Y99 HydrophobicContact CG1-CE2 3.74Å; V95-Y99 WeakPolarHBondContact O-CD2 3.38Å; V95-Y99 PolarHBondContact O-N 2.96Å; Q96-Y99 PolarHBondContact O-N 3.22Å; R97-Y99 PolarHBondContact O-N 3.43Å; Y99-S102 PolarHBondContact O-N 2.91Å; Y99-S102 PolarHBondContact O-OG 3.49Å; Y99-A103 WeakPolarHBondContact O-CB 3.32Å; Y99-A103 PolarHBondContact O-N 3.37Å; Y99-I132 HydrophobicContact CE2-CG2 4.08Å; Y99-I132 PolarHBondContact OH-O 2.78Å; Y99-F133 HydrophobicContact CD2-CE1 4.44Å; Y99-F133 AromaticContact CE2-CD1 3.99Å; Y99-F133 HydrophobicContact CE2-CD1 3.99Å; Y99-F133 AromaticContact CE2-CE1 3.97Å; Y99-F133 HydrophobicContact CE2-CE1 3.97Å; Y99-F133 AromaticContact CZ-CD1 3.9Å; Y99-F133 WeakPolarHBondContact OH-CA 3.42Å; Y99-N216 PolarHBondContact OH-ND2 3.36Å; Y99-L218 HydrophobicContact CD1-CB 4.02Å; Y99-L218 HydrophobicContact CE1-CB 3.62Å; Y99-L218 HydrophobicContact CE1-CD1 4.28Å; Y99-L218 HydrophobicContact CE2-CD1 4.32Å; Y99-Y219 AromaticContact CD1-CD1 3.65Å; Y99-Y219 HydrophobicContact CD1-CD1 3.65Å; Y99-Y219 AromaticContact CD1-CD2 3.87Å; Y99-Y219 HydrophobicContact CD1-CD2 3.87Å; Y99-Y219 AromaticContact CD1-CE1 3.44Å; Y99-Y219 HydrophobicContact CD1-CE1 3.44Å; Y99-Y219 VanDerWaalsContact CD1-CE1 3.44Å; Y99-Y219 AromaticContact CD1-CE2 3.67Å; Y99-Y219 HydrophobicContact CD1-CE2 3.67Å; Y99-Y219 AromaticContact CD1-CG 3.84Å; Y99-Y219 HydrophobicContact CD1-CG 3.84Å; Y99-Y219 AromaticContact CD1-CZ 3.43Å; Y99-Y219 VanDerWaalsContact CD1-CZ 3.43Å; Y99-Y219 HydrophobicContact CE1-CD1 4.2Å; Y99-Y219 AromaticContact CE1-CD2 3.53Å; Y99-Y219 HydrophobicContact CE1-CD2 3.53Å; Y99-Y219 HydrophobicContact CE1-CE1 4.03Å; Y99-Y219 AromaticContact CE1-CE2 3.33Å; Y99-Y219 HydrophobicContact CE1-CE2 3.33Å; Y99-Y219 AromaticContact CE1-CG 3.96Å; Y99-Y219 HydrophobicContact CE1-CG 3.96Å; Y99-Y219 AromaticContact CE1-CZ 3.58Å; Y99-Y219 HydrophobicContact CG-CE1 4.14Å; Y99-Y219 WeakPolarHBondContact O-CE1 3.18Å; Y99-I222 VanDerWaalsContact CB-CD1 3.44Å; Y99-I222 HydrophobicContact CD1-CD1 4.45Å; Y99-I222 HydrophobicContact CG-CD1 4.39Å; Y99-F239 HydrophobicContact CD1-CZ 4.28Å; Y99-F239 AromaticContact CD2-CZ 4Å; Y99-F239 HydrophobicContact CD2-CZ 4Å; Y99-F239 HydrophobicContact CG-CE2 4.38Å; Y99-F239 AromaticContact CG-CZ 3.78Å; Y99-F239 HydrophobicContact CG-CZ 3.78Å
100	L	94.9	Very high	96.1	Very high	95 Å²	95	27.7 Å²	27.7	50%	0.497	14%	0.138	S	C	.	.	H	α-helix	trans	-64.5	-42.6	175.5	-74.2	166.7	0	0	0	112.2	Q96 R97 C98 S102 I222	Q96-L100 HydrophobicContact CG-CD1 4.06Å; Q96-L100 HydrophobicContact CG-CG 4.49Å; Q96-L100 WeakPolarHBondContact O-CB 3.32Å; Q96-L100 WeakPolarHBondContact O-CG 3.42Å; Q96-L100 PolarHBondContact O-N 3Å; R97-L100 PolarHBondContact O-N 3.27Å; C98-L100 PolarHBondContact O-N 2.86Å; L100-S102 VanDerWaalsContact C-N 3.3Å; L100-S102 PolarHBondContact O-N 2.87Å; L100-I222 HydrophobicContact CD2-CD1 4.05Å; L100-I222 HydrophobicContact CD2-CG1 4.16Å; L100-I222 HydrophobicContact CD2-CG2 3.77Å; L100-I222 HydrophobicContact CG-CD1 4.09Å
101	L	96.1	Very high	96.4	Very high	50 Å²	50	25.8 Å²	25.8	26%	0.262	12%	0.122	S	C	.	.	H	α-helix	trans	-70.8	-24.8	-180	-70.6	173.4	0	0	0	113.4	C61 K63 I76 R97 C98	C61-L101 HydrophobicContact CB-CD1 3.94Å; K63-L101 HydrophobicContact CB-CD1 4.4Å; K63-L101 HydrophobicContact CB-CD2 4.22Å; K63-L101 HydrophobicContact CD-CD2 4.32Å; I76-L101 HydrophobicContact CG1-CB 4.16Å; R97-L101 HydrophobicContact CG-CD1 3.97Å; R97-L101 HydrophobicContact CG-CG 4.41Å; R97-L101 WeakPolarHBondContact O-CB 3.4Å; R97-L101 VanDerWaalsContact O-CG 3.27Å; R97-L101 WeakPolarHBondContact O-CG 3.24Å; R97-L101 PolarHBondContact O-N 3.46Å; C98-L101 PolarHBondContact O-N 3.27Å
102	S	96.8	Very high	96.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-104.9	-3	-178.4	57.7	0	0	0	0	114.1	R24 C98 Y99 L100 G105 Y219	R24-S102 WeakPolarHBondContact CD-O 3.44Å; R24-S102 PolarHBondContact NE-O 3.46Å; C98-S102 WeakPolarHBondContact O-CB 3.43Å; C98-S102 PolarHBondContact O-N 2.94Å; C98-S102 PolarHBondContact O-OG 2.97Å; Y99-S102 PolarHBondContact O-N 2.91Å; Y99-S102 PolarHBondContact O-OG 3.49Å; L100-S102 VanDerWaalsContact C-N 3.3Å; L100-S102 PolarHBondContact O-N 2.87Å; S102-G105 CarbonylContact O-C 3.58Å; S102-G105 VanDerWaalsContact O-C 3.23Å; S102-G105 VanDerWaalsContact O-CA 3.23Å; S102-G105 WeakPolarHBondContact O-CA 3.36Å; S102-G105 PolarHBondContact O-N 3.23Å; S102-Y219 WeakPolarHBondContact OG-CE1 3.34Å; S102-Y219 PolarHBondContact OG-OH 3.3Å
103	A	95.9	Very high	96.9	Very high	16 Å²	16	24.5 Å²	24.5	13%	0.132	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	138.6	178.8	0	0	0	0	0	111.4	Y99 G105 Y219 I222	Y99-A103 WeakPolarHBondContact O-CB 3.32Å; Y99-A103 PolarHBondContact O-N 3.37Å; A103-G105 VanDerWaalsContact C-N 3.32Å; A103-Y219 HydrophobicContact CB-CD1 4.43Å; A103-I222 HydrophobicContact CB-CG2 4Å
104	P	96	Very high	97.1	Very high	33 Å²	33	18.4 Å²	18.4	21%	0.214	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	cis	-80.3	-0.3	11.3	35	-40.4	0	0	0	115.7	H213 Y219 Q223	P104-H213 VanDerWaalsContact CG-NE2 3.34Å; P104-H213 WeakPolarHBondContact CG-NE2 3.38Å; P104-H213 PolarHBondContact O-CE1 3.07Å; P104-Y219 WeakPolarHBondContact O-CB 3.2Å; P104-Q223 HydrophobicContact CB-CG 4.49Å
105	G	97.7	Very high	97.2	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.089	C	C	.	.			trans	148.7	155.9	177.7	0	0	0	0	0	111.5	R24 S102 A103 Y214	R24-G105 VanDerWaalsContact CZ-O 3.25Å; R24-G105 PolarHBondContact NE-O 3.3Å; R24-G105 PolarHBondContact NH2-O 2.87Å; S102-G105 CarbonylContact O-C 3.58Å; S102-G105 VanDerWaalsContact O-C 3.23Å; S102-G105 VanDerWaalsContact O-CA 3.23Å; S102-G105 WeakPolarHBondContact O-CA 3.36Å; S102-G105 PolarHBondContact O-N 3.23Å; A103-G105 VanDerWaalsContact C-N 3.32Å; G105-Y214 VanDerWaalsContact CA-O 3.27Å; G105-Y214 WeakPolarHBondContact CA-O 3.48Å
106	P	98.3	Very high	97.3	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.116	C	C	.	.			trans	-75	146	-176.7	31.9	-35.7	0	0	0	111	I26 L109 Y214 Y219	I26-P106 HydrophobicContact CD1-CB 3.74Å; I26-P106 HydrophobicContact CD1-CG 3.76Å; I26-P106 HydrophobicContact CG1-CB 3.87Å; I26-P106 HydrophobicContact CG1-CG 4.42Å; P106-L109 HydrophobicContact CB-CD1 4.49Å; P106-L109 HydrophobicContact CG-CD1 3.8Å; P106-L109 HydrophobicContact CG-CG 4.32Å; P106-Y214 HydrophobicContact CG-CD1 4.25Å; P106-Y214 WeakPolarHBondContact O-CB 3.46Å; P106-Y214 PolarHBondContact O-N 3.37Å; P106-Y219 WeakPolarHBondContact CD-OH 3.5Å
107	H	98.6	Very high	97.4	Very high	5 Å²	5	26.7 Å²	26.7	2%	0.023	14%	0.138	C	C	.	.	S	Bend	trans	-74.6	-38.2	167	-65.6	89	0	0	0	110.1	E22 L23 R24 H140 L206	E22-H107 PolarHBondContact O-CE1 3.5Å; L23-H107 HydrophobicContact CD1-CB 3.51Å; R24-H107 VanDerWaalsContact CZ-CE1 3.42Å; R24-H107 PolarHBondContact N-ND1 3.31Å; R24-H107 PolarHBondContact NH2-CE1 3.45Å; R24-H107 PolarHBondContact O-N 3.49Å; H107-H140 PolarHBondContact O-ND1 2.84Å; H107-H140 VanDerWaalsContact O-ND1 3.14Å; H107-L206 HydrophobicContact CB-CD2 4.15Å
108	V	98.7	Very high	97.5	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	135.8	-174.6	-176.4	0	0	0	0	110	R24 I25 I26 H140 I142 I202 L205	R24-V108 PolarHBondContact O-N 3.16Å; I25-V108 WeakPolarHBondContact CA-O 3.28Å; I25-V108 HydrophobicContact CG1-CB 4.37Å; I25-V108 HydrophobicContact CG2-CB 4.48Å; I26-V108 PolarHBondContact N-O 3.07Å; V108-H140 WeakPolarHBondContact CA-O 3.31Å; V108-I142 HydrophobicContact CG1-CB 4.49Å; V108-I142 HydrophobicContact CG1-CD1 3.94Å; V108-I142 HydrophobicContact CG1-CG1 4.16Å; V108-I202 HydrophobicContact CG1-CG1 4.46Å; V108-I202 HydrophobicContact CG2-CB 4.38Å; V108-I202 HydrophobicContact CG2-CD1 4.11Å; V108-I202 HydrophobicContact CG2-CG1 3.87Å; V108-I202 HydrophobicContact CG2-CG2 3.76Å; V108-L205 HydrophobicContact CG2-CD2 4.26Å
109	L	98.8	Very high	97.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	124.1	159.1	-65.6	87	0	0	0	107.6	P106 V129 F133 A137 H140 T141 I142	P106-L109 HydrophobicContact CB-CD1 4.49Å; P106-L109 HydrophobicContact CG-CD1 3.8Å; P106-L109 HydrophobicContact CG-CG 4.32Å; L109-V129 HydrophobicContact CD2-CG1 3.78Å; L109-F133 HydrophobicContact CD2-CB 4.25Å; L109-F133 HydrophobicContact CD2-CD2 3.85Å; L109-F133 HydrophobicContact CD2-CE2 4.33Å; L109-F133 HydrophobicContact CD2-CG 3.97Å; L109-A137 HydrophobicContact CD1-CB 4.3Å; L109-A137 HydrophobicContact CD2-CB 4.12Å; L109-H140 HydrophobicContact CD1-CB 4.09Å; L109-H140 PolarHBondContact N-O 2.75Å; L109-T141 CarbonylContact O-C 3.55Å; L109-T141 VanDerWaalsContact O-CA 3.23Å; L109-T141 WeakPolarHBondContact O-CA 3.33Å; L109-I142 PolarHBondContact O-N 2.65Å
110	L	98.8	Very high	97.4	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	102.4	180	-162.3	62	0	0	0	108.7	I25 I26 L27 V28 I42 V112 I142 L144 L198	I25-L110 HydrophobicContact CG2-CB 3.93Å; I25-L110 HydrophobicContact CG2-CD2 4.49Å; I26-L110 PolarHBondContact O-N 3.05Å; L27-L110 HydrophobicContact CD2-CB 3.97Å; L27-L110 HydrophobicContact CD2-CD2 3.86Å; L27-L110 HydrophobicContact CD2-CG 4.45Å; V28-L110 PolarHBondContact N-O 2.88Å; I42-L110 HydrophobicContact CD1-CD2 3.74Å; L110-V112 PolarHBondContact O-N 3.28Å; L110-I142 HydrophobicContact CD1-CB 3.88Å; L110-I142 HydrophobicContact CD1-CG2 3.97Å; L110-L144 HydrophobicContact CD1-CB 3.95Å; L110-L144 HydrophobicContact CD2-CB 4.49Å; L110-L144 HydrophobicContact CD2-CD2 3.95Å; L110-L144 HydrophobicContact CG-CB 3.99Å; L110-L144 HydrophobicContact CG-CD2 4.31Å; L110-L198 HydrophobicContact CD1-CD1 3.77Å; L110-L198 HydrophobicContact CD2-CD2 4.03Å
111	L	98.7	Very high	97.4	Very high	7 Å²	7	30 Å²	30	4%	0.037	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	105.5	-178.4	179.8	63.3	0	0	0	110	V28 A126 V129 T141 I142 V143 L144 L171	V28-L111 HydrophobicContact CG2-CB 4.11Å; V28-L111 HydrophobicContact CG2-CD1 3.92Å; V28-L111 WeakPolarHBondContact O-CA 3.43Å; L111-A126 HydrophobicContact CD2-CB 3.97Å; L111-V129 HydrophobicContact CD1-CG2 4.41Å; L111-T141 HydrophobicContact CB-CG2 3.72Å; L111-I142 PolarHBondContact N-O 3.47Å; L111-V143 WeakPolarHBondContact O-CA 3.36Å; L111-L144 PolarHBondContact O-N 2.87Å; L111-L171 HydrophobicContact CD2-CD1 3.62Å; L111-L171 HydrophobicContact CD2-CD2 3.59Å; L111-L171 HydrophobicContact CD2-CG 4.13Å
112	V	98.4	Very high	97.4	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.006	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	123.2	-171.6	-168.7	0	0	0	0	111.3	V28 T33 K35 L110 L144 T146	V28-V112 PolarHBondContact O-N 2.88Å; T33-V112 WeakPolarHBondContact CB-O 3.3Å; T33-V112 PolarHBondContact OG1-O 3.28Å; K35-V112 HydrophobicContact CB-CG2 4.37Å; K35-V112 HydrophobicContact CG-CB 3.7Å; K35-V112 HydrophobicContact CG-CG1 4.36Å; K35-V112 HydrophobicContact CG-CG2 3.87Å; L110-V112 PolarHBondContact O-N 3.28Å; V112-L144 WeakPolarHBondContact CA-O 3.49Å; V112-L144 HydrophobicContact CG1-CD2 4.36Å; V112-L144 HydrophobicContact CG2-CB 4.37Å; V112-L144 HydrophobicContact CG2-CD2 4.2Å; V112-T146 HydrophobicContact CG1-CG2 3.47Å; V112-T146 VanDerWaalsContact CG1-CG2 3.47Å
113	T	97.9	Very high	97.4	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.018	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	154.5	174.9	-179.8	0	0	0	0	109.9	V143 L144 F145 T146	T113-V143 HydrophobicContact CG2-CG1 3.83Å; T113-L144 PolarHBondContact N-O 2.89Å; T113-L144 VanDerWaalsContact O-O 3.1Å; T113-F145 HydrophobicContact CG2-CD1 3.54Å; T113-F145 HydrophobicContact CG2-CE1 3.61Å; T113-F145 HydrophobicContact CG2-CG 4.16Å; T113-F145 HydrophobicContact CG2-CZ 4.28Å; T113-F145 CarbonylContact O-C 3.51Å; T113-F145 VanDerWaalsContact O-CA 3.28Å; T113-F145 WeakPolarHBondContact O-CA 3.41Å; T113-T146 PolarHBondContact O-N 3.26Å; T113-T146 PolarHBondContact O-OG1 3.49Å
114	Q	97.8	Very high	97.4	Very high	22 Å²	22	34 Å²	34	10%	0.103	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	135.4	171	179.1	174.4	1.2	0	0	109.7	R117 T146 H147	Q114-R117 HydrophobicContact CB-CB 4.25Å; Q114-R117 HydrophobicContact CG-CB 4.3Å; Q114-R117 HydrophobicContact CG-CG 4.43Å; Q114-R117 PolarHBondContact O-N 2.88Å; Q114-R117 VanDerWaalsContact O-N 3.16Å; Q114-T146 WeakPolarHBondContact CA-OG1 3.49Å; Q114-H147 HydrophobicContact CG-CB 4.31Å
115	L	97.7	Very high	97.4	Very high	7 Å²	7	32.7 Å²	32.7	4%	0.037	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	138.4	173.8	-166.2	76.5	0	0	0	110.9	R117 F145 T146 D150 L151 L156 Y159	L115-R117 PolarHBondContact O-N 2.69Å; L115-R117 VanDerWaalsContact O-N 3.09Å; L115-F145 HydrophobicContact CB-CB 4.42Å; L115-F145 HydrophobicContact CD1-CB 3.97Å; L115-F145 HydrophobicContact CD1-CD1 3.86Å; L115-F145 HydrophobicContact CD1-CG 4.05Å; L115-T146 VanDerWaalsContact CB-O 3.3Å; L115-T146 WeakPolarHBondContact CB-O 3.49Å; L115-T146 PolarHBondContact N-O 2.93Å; L115-D150 HydrophobicContact CD2-CB 4.12Å; L115-L151 HydrophobicContact CD1-CD2 4.43Å; L115-L151 HydrophobicContact CD2-CD1 4.36Å; L115-L151 HydrophobicContact CD2-CD2 3.65Å; L115-L151 HydrophobicContact CD2-CG 3.52Å; L115-L156 HydrophobicContact CD1-CD1 3.85Å; L115-Y159 HydrophobicContact CD1-CD1 3.63Å; L115-Y159 HydrophobicContact CD1-CE1 3.49Å; L115-Y159 VanDerWaalsContact CD1-CE1 3.49Å; L115-Y159 HydrophobicContact CD1-CG 4.23Å; L115-Y159 HydrophobicContact CG-CE1 4.26Å
116	G	96.4	Very high	97.4	Very high	55 Å²	55	32.9 Å²	32.9	57%	0.567	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.1	-7	-178.3	0	0	0	0	0	115.9	Y159	G116-Y159 WeakPolarHBondContact CA-OH 3.41Å; G116-Y159 PolarHBondContact N-OH 3.28Å; G116-Y159 VanDerWaalsContact N-OH 3.08Å
117	R	97.1	Very high	97.2	Very high	149 Å²	149	35 Å²	35	56%	0.562	19%	0.187	S	C	*	.			trans	-132.1	43.8	-168.8	-59	-169.3	-174.3	174.6	-3.3	114	Q114 L115 T119	Q114-R117 HydrophobicContact CB-CB 4.25Å; Q114-R117 HydrophobicContact CG-CB 4.3Å; Q114-R117 HydrophobicContact CG-CG 4.43Å; Q114-R117 PolarHBondContact O-N 2.88Å; Q114-R117 VanDerWaalsContact O-N 3.16Å; L115-R117 PolarHBondContact O-N 2.69Å; L115-R117 VanDerWaalsContact O-N 3.09Å; R117-T119 PolarHBondContact O-N 3.46Å
118	Y	97.7	Very high	97.1	Very high	20 Å²	20	35 Å²	35	8%	0.078	19%	0.187	C	C	.	.			trans	-82.2	105.3	171.9	-170	-98	0	0	0	111.1	D122 Q123 N165 A167 L168 L171	Y118-D122 HydrophobicContact CD2-CB 3.48Å; Y118-D122 VanDerWaalsContact CD2-CB 3.48Å; Y118-D122 HydrophobicContact CE2-CB 3.45Å; Y118-D122 VanDerWaalsContact CE2-CB 3.45Å; Y118-D122 HydrophobicContact CG-CB 4.15Å; Y118-Q123 HydrophobicContact CD1-CG 4.41Å; Y118-Q123 HydrophobicContact CE1-CG 3.46Å; Y118-Q123 VanDerWaalsContact CE1-CG 3.46Å; Y118-Q123 WeakPolarHBondContact OH-CA 3.33Å; Y118-N165 PolarHBondContact O-ND2 2.93Å; Y118-A167 HydrophobicContact CD1-CB 4.41Å; Y118-A167 HydrophobicContact CE1-CB 3.93Å; Y118-L168 HydrophobicContact CD1-CB 3.69Å; Y118-L168 HydrophobicContact CD1-CD1 4.23Å; Y118-L168 HydrophobicContact CD2-CD1 3.78Å; Y118-L168 HydrophobicContact CE1-CB 4.2Å; Y118-L168 HydrophobicContact CE2-CD1 4.21Å; Y118-L168 HydrophobicContact CG-CB 3.98Å; Y118-L168 HydrophobicContact CG-CD1 3.8Å; Y118-L168 HydrophobicContact CG-CG 4.36Å; Y118-L171 HydrophobicContact CE2-CD2 3.52Å; Y118-L171 WeakPolarHBondContact OH-CD2 3.46Å
119	T	97	Very high	97	Very high	55 Å²	55	35.3 Å²	35.3	34%	0.337	19%	0.189	S	C	.	.			trans	-110.5	179.6	-171	67.5	0	0	0	0	112.8	K30 R117 Q121 D122 Q123	K30-T119 PolarHBondContact NZ-OG1 3.02Å; R117-T119 PolarHBondContact O-N 3.46Å; T119-Q121 PolarHBondContact O-N 3.39Å; T119-Q121 PolarHBondContact OG1-N 2.85Å; T119-D122 WeakPolarHBondContact CA-OD2 3.4Å; T119-D122 WeakPolarHBondContact CB-OD2 3.14Å; T119-D122 PolarHBondContact N-OD2 3.25Å; T119-D122 WeakPolarHBondContact O-CB 3.07Å; T119-D122 PolarHBondContact O-N 3.43Å; T119-D122 VanDerWaalsContact O-N 3.07Å; T119-D122 PolarHBondContact OG1-OD2 3.48Å; T119-Q123 PolarHBondContact O-N 2.89Å; T119-Q123 VanDerWaalsContact O-N 3.09Å
120	S	96.3	Very high	96.9	Very high	90 Å²	90	37 Å²	37	63%	0.629	20%	0.196	S	C	*	.	H	α-helix	trans	-59.9	-29.2	171.7	56.1	0	0	0	0	113.2	D122 Q124	S120-D122 VanDerWaalsContact C-N 3.35Å; S120-Q124 WeakPolarHBondContact O-CB 3.5Å; S120-Q124 PolarHBondContact O-N 3.23Å
121	Q	94.8	Very high	96.8	Very high	118 Å²	118	38 Å²	38	55%	0.551	20%	0.201	S	C	*	.	H	α-helix	trans	-69.4	-33.4	174	-66.2	-178.4	6.1	0	0	111.9	K30 T119 Q124 A125	K30-Q121 HydrophobicContact CD-CB 3.43Å; K30-Q121 VanDerWaalsContact CD-CB 3.43Å; K30-Q121 HydrophobicContact CG-CB 4.06Å; T119-Q121 PolarHBondContact O-N 3.39Å; T119-Q121 PolarHBondContact OG1-N 2.85Å; Q121-Q124 WeakPolarHBondContact O-CB 3.33Å; Q121-Q124 PolarHBondContact O-N 3.41Å; Q121-A125 PolarHBondContact O-N 3.41Å
122	D	97	Very high	96.7	Very high	5 Å²	5	37.7 Å²	37.7	3%	0.027	20%	0.199	C	C	.	.	H	α-helix	trans	-72.8	-39	175.9	-56.2	-81.4	0	0	0	111.2	K30 Y118 T119 S120 Q124 A125 A126	K30-D122 WeakPolarHBondContact CB-OD1 3.32Å; K30-D122 WeakPolarHBondContact CD-OD1 3.41Å; K30-D122 WeakPolarHBondContact CE-OD1 3.39Å; K30-D122 IonicContact NZ-OD1 2.81Å; K30-D122 PolarHBondContact NZ-OD1 2.93Å; K30-D122 IonicContact NZ-OD2 3.42Å; K30-D122 PolarHBondContact NZ-OD2 3.31Å; Y118-D122 HydrophobicContact CD2-CB 3.48Å; Y118-D122 VanDerWaalsContact CD2-CB 3.48Å; Y118-D122 HydrophobicContact CE2-CB 3.45Å; Y118-D122 VanDerWaalsContact CE2-CB 3.45Å; Y118-D122 HydrophobicContact CG-CB 4.15Å; T119-D122 WeakPolarHBondContact CA-OD2 3.4Å; T119-D122 WeakPolarHBondContact CB-OD2 3.14Å; T119-D122 PolarHBondContact N-OD2 3.25Å; T119-D122 WeakPolarHBondContact O-CB 3.07Å; T119-D122 PolarHBondContact O-N 3.43Å; T119-D122 VanDerWaalsContact O-N 3.07Å; T119-D122 PolarHBondContact OG1-OD2 3.48Å; S120-D122 VanDerWaalsContact C-N 3.35Å; D122-Q124 VanDerWaalsContact C-N 3.32Å; D122-Q124 PolarHBondContact O-N 3.34Å; D122-A125 PolarHBondContact O-N 2.98Å; D122-A126 PolarHBondContact O-N 3.3Å
123	Q	96.7	Very high	96.7	Very high	88 Å²	88	37.7 Å²	37.7	41%	0.411	20%	0.199	S	C	.	.	H	α-helix	trans	-59.1	-45.2	170.9	-69.3	173.6	66.9	0	0	111.3	Y118 T119 A126 Q127 A167	Y118-Q123 HydrophobicContact CD1-CG 4.41Å; Y118-Q123 HydrophobicContact CE1-CG 3.46Å; Y118-Q123 VanDerWaalsContact CE1-CG 3.46Å; Y118-Q123 WeakPolarHBondContact OH-CA 3.33Å; T119-Q123 PolarHBondContact O-N 2.89Å; T119-Q123 VanDerWaalsContact O-N 3.09Å; Q123-A126 PolarHBondContact O-N 3.36Å; Q123-Q127 WeakPolarHBondContact O-CB 3.43Å; Q123-Q127 PolarHBondContact O-N 3.14Å; Q123-A167 HydrophobicContact CG-CB 3.91Å
124	Q	95	Very high	96.6	Very high	57 Å²	57	37.6 Å²	37.6	27%	0.266	20%	0.199	S	C	.	.	H	α-helix	trans	-58.5	-46.9	173	155.4	142.8	86.5	0	0	111.9	S83 S120 Q121 D122 A126 Q127 R128	S83-Q124 WeakPolarHBondContact O-CG 3.34Å; S120-Q124 WeakPolarHBondContact O-CB 3.5Å; S120-Q124 PolarHBondContact O-N 3.23Å; Q121-Q124 WeakPolarHBondContact O-CB 3.33Å; Q121-Q124 PolarHBondContact O-N 3.41Å; D122-Q124 VanDerWaalsContact C-N 3.32Å; D122-Q124 PolarHBondContact O-N 3.34Å; Q124-A126 VanDerWaalsContact C-N 3.33Å; Q124-A126 PolarHBondContact O-N 2.68Å; Q124-Q127 WeakPolarHBondContact O-CB 3.46Å; Q124-Q127 PolarHBondContact O-N 3.06Å; Q124-R128 WeakPolarHBondContact O-CG 3.45Å; Q124-R128 PolarHBondContact O-N 2.84Å
125	A	96.1	Very high	96.5	Very high	4 Å²	4	40 Å²	40	3%	0.033	21%	0.21	C	C	.	.	H	α-helix	trans	-60.5	-43.4	178.2	0	0	0	0	0	111.6	K30 Q121 D122 Q127 R128 V129	K30-A125 HydrophobicContact CB-CB 4.27Å; Q121-A125 PolarHBondContact O-N 3.41Å; D122-A125 PolarHBondContact O-N 2.98Å; A125-Q127 VanDerWaalsContact C-N 3.33Å; A125-Q127 PolarHBondContact O-N 2.83Å; A125-R128 PolarHBondContact O-N 2.9Å; A125-V129 WeakPolarHBondContact O-CG2 3.49Å; A125-V129 PolarHBondContact O-N 3.48Å
126	A	96.8	Very high	96.4	Very high	5 Å²	5	45.8 Å²	45.8	4%	0.041	24%	0.241	C	C	.	.	H	α-helix	trans	-61.8	-40.2	174.7	0	0	0	0	0	112.2	L111 D122 Q123 Q124 R128 V129 K130 L171	L111-A126 HydrophobicContact CD2-CB 3.97Å; D122-A126 PolarHBondContact O-N 3.3Å; Q123-A126 PolarHBondContact O-N 3.36Å; Q124-A126 VanDerWaalsContact C-N 3.33Å; Q124-A126 PolarHBondContact O-N 2.68Å; A126-R128 VanDerWaalsContact C-N 3.34Å; A126-R128 PolarHBondContact O-N 3.33Å; A126-V129 WeakPolarHBondContact O-CB 3.33Å; A126-V129 PolarHBondContact O-N 2.91Å; A126-K130 PolarHBondContact O-N 3.19Å; A126-L171 HydrophobicContact CB-CD1 4.03Å
127	Q	95.5	Very high	96.5	Very high	43 Å²	43	43.1 Å²	43.1	20%	0.201	21%	0.214	C	C	.	.	H	α-helix	trans	-63	-40.2	174.8	-175.7	54.9	34.6	0	0	111.9	Q123 Q124 A125 V129 K130 E131 T254	Q123-Q127 WeakPolarHBondContact O-CB 3.43Å; Q123-Q127 PolarHBondContact O-N 3.14Å; Q124-Q127 WeakPolarHBondContact O-CB 3.46Å; Q124-Q127 PolarHBondContact O-N 3.06Å; A125-Q127 VanDerWaalsContact C-N 3.33Å; A125-Q127 PolarHBondContact O-N 2.83Å; Q127-V129 VanDerWaalsContact C-N 3.31Å; Q127-V129 PolarHBondContact O-N 3.33Å; Q127-K130 WeakPolarHBondContact O-CB 3.45Å; Q127-K130 PolarHBondContact O-N 2.57Å; Q127-E131 WeakPolarHBondContact O-CG 3.23Å; Q127-E131 PolarHBondContact O-N 3.4Å; Q127-T254 PolarHBondContact NE2-OG1 2.79Å
128	R	95.9	Very high	96.6	Very high	7 Å²	7	36.3 Å²	36.3	3%	0.026	19%	0.188	C	C	.	.	H	α-helix	trans	-64.6	-34.4	175.1	-66.2	-65.5	-65.1	108.5	13.2	112.6	F82 W84 Q124 A125 A126 K130 E131 I132 M247	F82-R128 WeakPolarHBondContact O-CB 3.42Å; F82-R128 WeakPolarHBondContact O-CG 3.27Å; F82-R128 PolarHBondContact O-NE 2.93Å; W84-R128 WeakPolarHBondContact O-CD 3.45Å; W84-R128 PolarHBondContact O-NE 3.3Å; Q124-R128 WeakPolarHBondContact O-CG 3.45Å; Q124-R128 PolarHBondContact O-N 2.84Å; A125-R128 PolarHBondContact O-N 2.9Å; A126-R128 VanDerWaalsContact C-N 3.34Å; A126-R128 PolarHBondContact O-N 3.33Å; R128-K130 VanDerWaalsContact C-N 3.34Å; R128-E131 WeakPolarHBondContact CD-OE2 3.46Å; R128-E131 IonicContact CZ-OE2 3.84Å; R128-E131 IonicContact NE-OE2 2.82Å; R128-E131 IonicContact NH1-OE2 3.7Å; R128-E131 PolarHBondContact NH1-OE2 3.27Å; R128-E131 PolarHBondContact O-N 3.1Å; R128-I132 WeakPolarHBondContact O-CB 3.4Å; R128-I132 VanDerWaalsContact O-CG1 3.28Å; R128-I132 WeakPolarHBondContact O-CG1 3.34Å; R128-I132 PolarHBondContact O-N 2.96Å; R128-M247 VanDerWaalsContact NH1-CE 3.35Å
129	V	96.8	Very high	96.6	Very high	6 Å²	6	36.4 Å²	36.4	4%	0.036	20%	0.195	C	C	.	.	H	α-helix	trans	-60.2	-46.5	172.8	176.6	0	0	0	0	110.4	V28 L109 L111 A125 A126 Q127 E131 I132 F133 M138	V28-V129 HydrophobicContact CB-CG2 3.65Å; V28-V129 HydrophobicContact CG1-CG2 4.08Å; V28-V129 HydrophobicContact CG2-CG1 4.39Å; V28-V129 HydrophobicContact CG2-CG2 3.62Å; L109-V129 HydrophobicContact CD2-CG1 3.78Å; L111-V129 HydrophobicContact CD1-CG2 4.41Å; A125-V129 WeakPolarHBondContact O-CG2 3.49Å; A125-V129 PolarHBondContact O-N 3.48Å; A126-V129 WeakPolarHBondContact O-CB 3.33Å; A126-V129 PolarHBondContact O-N 2.91Å; Q127-V129 VanDerWaalsContact C-N 3.31Å; Q127-V129 PolarHBondContact O-N 3.33Å; V129-E131 PolarHBondContact O-N 2.94Å; V129-I132 PolarHBondContact O-N 3.17Å; V129-F133 HydrophobicContact CG1-CD2 3.96Å; V129-F133 WeakPolarHBondContact O-CB 3.15Å; V129-F133 PolarHBondContact O-N 3.24Å; V129-M138 HydrophobicContact CB-CE 4.1Å; V129-M138 HydrophobicContact CG1-CE 3.44Å; V129-M138 VanDerWaalsContact CG1-CE 3.44Å
130	K	96.6	Very high	96.7	Very high	34 Å²	34	34.6 Å²	34.6	15%	0.148	18%	0.183	C	C	.	.	H	α-helix	trans	-62.2	-41.5	175.9	-64.5	163.7	165.5	-140.4	0	112.2	A126 Q127 R128 G134 E135 M138	A126-K130 PolarHBondContact O-N 3.19Å; Q127-K130 WeakPolarHBondContact O-CB 3.45Å; Q127-K130 PolarHBondContact O-N 2.57Å; R128-K130 VanDerWaalsContact C-N 3.34Å; K130-G134 CarbonylContact O-C 3.3Å; K130-G134 WeakPolarHBondContact O-CA 3.45Å; K130-G134 PolarHBondContact O-N 2.78Å; K130-E135 WeakPolarHBondContact CD-OE2 3.39Å; K130-E135 WeakPolarHBondContact CE-OE1 3.4Å; K130-E135 IonicContact NZ-OE1 3.19Å; K130-E135 PolarHBondContact NZ-OE1 2.92Å; K130-E135 IonicContact NZ-OE2 2.75Å; K130-E135 PolarHBondContact NZ-OE2 3.47Å; K130-M138 HydrophobicContact CG-CE 4.17Å; K130-M138 HydrophobicContact CG-CG 4.07Å; K130-M138 HydrophobicContact CG-SD 4.2Å
131	E	96.1	Very high	96.8	Very high	21 Å²	21	30.3 Å²	30.3	10%	0.098	15%	0.153	C	C	.	.	H	α-helix	trans	-65.3	-42.4	178	-71.9	174.6	-167.8	0	0	113.1	Q127 R128 V129 M247 R251	Q127-E131 WeakPolarHBondContact O-CG 3.23Å; Q127-E131 PolarHBondContact O-N 3.4Å; R128-E131 WeakPolarHBondContact CD-OE2 3.46Å; R128-E131 IonicContact CZ-OE2 3.84Å; R128-E131 IonicContact NE-OE2 2.82Å; R128-E131 IonicContact NH1-OE2 3.7Å; R128-E131 PolarHBondContact NH1-OE2 3.27Å; R128-E131 PolarHBondContact O-N 3.1Å; V129-E131 PolarHBondContact O-N 2.94Å; E131-M247 WeakPolarHBondContact O-CG 3.25Å; E131-R251 VanDerWaalsContact CD-CG 3.47Å; E131-R251 HydrophobicContact CG-CG 3.69Å; E131-R251 WeakPolarHBondContact OE1-CG 3.49Å
132	I	96.8	Very high	97	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.01	13%	0.127	C	C	.	.	H	α-helix	trans	-76	-50.7	-178.2	-68	168.1	0	0	0	110.8	F82 V95 Y99 R128 V129 Y246 M247	F82-I132 HydrophobicContact CB-CD1 4.1Å; F82-I132 HydrophobicContact CD2-CD1 3.94Å; F82-I132 HydrophobicContact CG-CD1 3.97Å; V95-I132 HydrophobicContact CG1-CG2 3.74Å; V95-I132 HydrophobicContact CG2-CD1 4.18Å; V95-I132 HydrophobicContact CG2-CG1 4.31Å; V95-I132 HydrophobicContact CG2-CG2 4.13Å; Y99-I132 HydrophobicContact CE2-CG2 4.08Å; Y99-I132 PolarHBondContact OH-O 2.78Å; R128-I132 WeakPolarHBondContact O-CB 3.4Å; R128-I132 VanDerWaalsContact O-CG1 3.28Å; R128-I132 WeakPolarHBondContact O-CG1 3.34Å; R128-I132 PolarHBondContact O-N 2.96Å; V129-I132 PolarHBondContact O-N 3.17Å; I132-Y246 WeakPolarHBondContact O-CE1 3.35Å; I132-M247 HydrophobicContact CG1-CE 4.38Å
133	F	97.7	Very high	97.1	Very high	1 Å²	1	24.5 Å²	24.5	0%	0.004	13%	0.126	C	C	.	.	H	α-helix	trans	-98.1	-22.7	-169.1	-63.9	-75.1	0	0	0	114.1	I26 V28 Y99 L109 V129 A137 Y214 N216 Y246	I26-F133 HydrophobicContact CD1-CE1 3.88Å; I26-F133 HydrophobicContact CD1-CZ 4.11Å; I26-F133 HydrophobicContact CG2-CZ 4.22Å; V28-F133 HydrophobicContact CG1-CE2 4.17Å; Y99-F133 HydrophobicContact CD2-CE1 4.44Å; Y99-F133 AromaticContact CE2-CD1 3.99Å; Y99-F133 HydrophobicContact CE2-CD1 3.99Å; Y99-F133 AromaticContact CE2-CE1 3.97Å; Y99-F133 HydrophobicContact CE2-CE1 3.97Å; Y99-F133 AromaticContact CZ-CD1 3.9Å; Y99-F133 WeakPolarHBondContact OH-CA 3.42Å; L109-F133 HydrophobicContact CD2-CB 4.25Å; L109-F133 HydrophobicContact CD2-CD2 3.85Å; L109-F133 HydrophobicContact CD2-CE2 4.33Å; L109-F133 HydrophobicContact CD2-CG 3.97Å; V129-F133 HydrophobicContact CG1-CD2 3.96Å; V129-F133 WeakPolarHBondContact O-CB 3.15Å; V129-F133 PolarHBondContact O-N 3.24Å; F133-A137 HydrophobicContact CB-CB 3.74Å; F133-Y214 HydrophobicContact CB-CE1 4.32Å; F133-Y214 VanDerWaalsContact O-CE1 3.32Å; F133-Y214 WeakPolarHBondContact O-CE1 3.16Å; F133-Y214 PolarHBondContact O-OH 3.04Å; F133-N216 PolarHBondContact O-ND2 3.32Å; F133-Y246 PolarHBondContact O-OH 2.89Å
134	G	97	Very high	97.2	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.01	11%	0.106	C	C	.	.			trans	112	149.7	-174	0	0	0	0	0	112.7	K130 D136 A137 Y246	K130-G134 CarbonylContact O-C 3.3Å; K130-G134 WeakPolarHBondContact O-CA 3.45Å; K130-G134 PolarHBondContact O-N 2.78Å; G134-D136 PolarHBondContact O-N 3.27Å; G134-A137 WeakPolarHBondContact O-CB 3.37Å; G134-A137 PolarHBondContact O-N 3.47Å; G134-Y246 WeakPolarHBondContact CA-OH 3.45Å; G134-Y246 PolarHBondContact N-OH 2.96Å
135	E	95.3	Very high	97.3	Very high	73 Å²	73	17.6 Å²	17.6	34%	0.341	9%	0.094	S	C	.	.	G	3₁₀ helix	trans	-54.3	-41.4	175.5	-172.1	67	-160.9	0	0	112	K130 A137 M138 Q250	K130-E135 WeakPolarHBondContact CD-OE2 3.39Å; K130-E135 WeakPolarHBondContact CE-OE1 3.4Å; K130-E135 IonicContact NZ-OE1 3.19Å; K130-E135 PolarHBondContact NZ-OE1 2.92Å; K130-E135 IonicContact NZ-OE2 2.75Å; K130-E135 PolarHBondContact NZ-OE2 3.47Å; E135-A137 PolarHBondContact O-N 2.68Å; E135-A137 VanDerWaalsContact O-N 3.14Å; E135-M138 WeakPolarHBondContact O-CG 3.33Å; E135-M138 PolarHBondContact O-N 3.3Å; E135-Q250 VanDerWaalsContact N-OE1 3.15Å
136	D	96.7	Very high	97.5	Very high	127 Å²	127	17.4 Å²	17.4	68%	0.679	9%	0.092	S	C	*	.	G	3₁₀ helix	trans	-66.5	-14.4	-179.2	-61.6	-30.5	0	0	0	113.6	G134 M138 G139 Y214	G134-D136 PolarHBondContact O-N 3.27Å; D136-M138 PolarHBondContact O-N 3.01Å; D136-G139 PolarHBondContact O-N 2.79Å; D136-Y214 HydrophobicContact CB-CE2 4.18Å
137	A	98.2	Very high	97.5	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-61.1	-24.2	174.4	0	0	0	0	0	112.1	L109 F133 G134 E135 G139 H140 T141 Y214	L109-A137 HydrophobicContact CD1-CB 4.3Å; L109-A137 HydrophobicContact CD2-CB 4.12Å; F133-A137 HydrophobicContact CB-CB 3.74Å; G134-A137 WeakPolarHBondContact O-CB 3.37Å; G134-A137 PolarHBondContact O-N 3.47Å; E135-A137 PolarHBondContact O-N 2.68Å; E135-A137 VanDerWaalsContact O-N 3.14Å; A137-G139 PolarHBondContact O-N 2.85Å; A137-H140 CarbonylContact O-C 3.59Å; A137-H140 PolarHBondContact O-N 2.96Å; A137-T141 PolarHBondContact O-N 3.45Å; A137-T141 PolarHBondContact O-OG1 3.49Å; A137-Y214 HydrophobicContact CB-CD1 4.37Å; A137-Y214 HydrophobicContact CB-CE1 3.84Å; A137-Y214 HydrophobicContact CB-CE2 4.26Å
138	M	98	Very high	97.6	Very high	5 Å²	5	20.7 Å²	20.7	3%	0.025	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-60.8	-28.7	173.4	-62	-62.8	95.3	0	0	112.1	V129 K130 E135 D136 H140 T141 L171 A174 R178	V129-M138 HydrophobicContact CB-CE 4.1Å; V129-M138 HydrophobicContact CG1-CE 3.44Å; V129-M138 VanDerWaalsContact CG1-CE 3.44Å; K130-M138 HydrophobicContact CG-CE 4.17Å; K130-M138 HydrophobicContact CG-CG 4.07Å; K130-M138 HydrophobicContact CG-SD 4.2Å; E135-M138 WeakPolarHBondContact O-CG 3.33Å; E135-M138 PolarHBondContact O-N 3.3Å; D136-M138 PolarHBondContact O-N 3.01Å; M138-H140 PolarHBondContact O-N 3.28Å; M138-T141 WeakPolarHBondContact CA-OG1 3.43Å; M138-T141 HydrophobicContact CE-CG2 4.45Å; M138-T141 WeakPolarHBondContact CE-OG1 3.41Å; M138-T141 WeakPolarHBondContact O-CB 3.49Å; M138-T141 PolarHBondContact O-N 3.41Å; M138-L171 HydrophobicContact SD-CD1 4.42Å; M138-A174 HydrophobicContact CB-CB 4.47Å; M138-R178 PolarHBondContact O-NH2 3.14Å
139	G	98.2	Very high	97.7	Very high	22 Å²	22	23.5 Å²	23.5	23%	0.227	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-65.3	-19.7	174.3	0	0	0	0	0	114.5	D136 A137 R178 L205 K209	D136-G139 PolarHBondContact O-N 2.79Å; A137-G139 PolarHBondContact O-N 2.85Å; G139-R178 PolarHBondContact O-NH2 2.88Å; G139-L205 WeakPolarHBondContact O-CD1 3.34Å; G139-K209 WeakPolarHBondContact O-CE 3.33Å
140	H	98.7	Very high	97.8	Very high	18 Å²	18	27.1 Å²	27.1	8%	0.083	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-110.6	12.2	172.7	-75.5	-103.4	0	0	0	112.5	H107 V108 L109 A137 M138 D212 Y214	H107-H140 PolarHBondContact O-ND1 2.84Å; H107-H140 VanDerWaalsContact O-ND1 3.14Å; V108-H140 WeakPolarHBondContact CA-O 3.31Å; L109-H140 HydrophobicContact CD1-CB 4.09Å; L109-H140 PolarHBondContact N-O 2.75Å; A137-H140 CarbonylContact O-C 3.59Å; A137-H140 PolarHBondContact O-N 2.96Å; M138-H140 PolarHBondContact O-N 3.28Å; H140-D212 PolarHBondContact CE1-O 3.37Å; H140-Y214 AromaticContact CD2-CD2 3.9Å
141	T	98.8	Very high	97.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	139.2	-178.6	-60	0	0	0	0	111.2	L109 L111 A137 M138 R178	L109-T141 CarbonylContact O-C 3.55Å; L109-T141 VanDerWaalsContact O-CA 3.23Å; L109-T141 WeakPolarHBondContact O-CA 3.33Å; L111-T141 HydrophobicContact CB-CG2 3.72Å; A137-T141 PolarHBondContact O-N 3.45Å; A137-T141 PolarHBondContact O-OG1 3.49Å; M138-T141 WeakPolarHBondContact CA-OG1 3.43Å; M138-T141 HydrophobicContact CE-CG2 4.45Å; M138-T141 WeakPolarHBondContact CE-OG1 3.41Å; M138-T141 WeakPolarHBondContact O-CB 3.49Å; M138-T141 PolarHBondContact O-N 3.41Å; T141-R178 PolarHBondContact O-NE 3.06Å; T141-R178 PolarHBondContact O-NH2 2.89Å
142	I	98.8	Very high	97.8	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	134.3	167.5	-61	175.5	0	0	0	107.5	V108 L109 L110 L111 R178 L198 C201 I202 L205	V108-I142 HydrophobicContact CG1-CB 4.49Å; V108-I142 HydrophobicContact CG1-CD1 3.94Å; V108-I142 HydrophobicContact CG1-CG1 4.16Å; L109-I142 PolarHBondContact O-N 2.65Å; L110-I142 HydrophobicContact CD1-CB 3.88Å; L110-I142 HydrophobicContact CD1-CG2 3.97Å; L111-I142 PolarHBondContact N-O 3.47Å; I142-R178 HydrophobicContact CG1-CB 4.1Å; I142-R178 HydrophobicContact CG2-CB 4.43Å; I142-L198 HydrophobicContact CD1-CD1 4.44Å; I142-L198 HydrophobicContact CG2-CD1 4.29Å; I142-C201 HydrophobicContact CD1-CB 4.4Å; I142-I202 HydrophobicContact CD1-CG1 3.58Å; I142-L205 HydrophobicContact CD1-CD2 4.28Å; I142-L205 HydrophobicContact CG1-CD2 4.26Å
143	V	98.8	Very high	97.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	120.3	176.1	-175.9	0	0	0	0	109.2	L111 T113 F145 L171 V172 C175 R178 I179 C180	L111-V143 WeakPolarHBondContact O-CA 3.36Å; T113-V143 HydrophobicContact CG2-CG1 3.83Å; V143-F145 HydrophobicContact CB-CE2 4.4Å; V143-F145 HydrophobicContact CG1-CD2 4.33Å; V143-F145 HydrophobicContact CG1-CE2 3.77Å; V143-F145 HydrophobicContact CG1-CZ 3.9Å; V143-L171 HydrophobicContact CG2-CD2 4.22Å; V143-L171 HydrophobicContact CG2-CG 4.13Å; V143-V172 HydrophobicContact CG2-CG2 4.39Å; V143-C175 HydrophobicContact CG2-CB 4.02Å; V143-R178 PolarHBondContact N-O 3.01Å; V143-I179 HydrophobicContact CB-CG2 4.31Å; V143-I179 CarbonylContact O-C 3.44Å; V143-I179 VanDerWaalsContact O-CA 3.31Å; V143-I179 WeakPolarHBondContact O-CA 3.46Å; V143-C180 PolarHBondContact O-N 3.46Å
144	L	98.8	Very high	97.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	120	177.3	-174.9	73.6	0	0	0	110.5	A38 L110 L111 V112 T113 C180 F182	A38-L144 HydrophobicContact CB-CD2 3.56Å; L110-L144 HydrophobicContact CD1-CB 3.95Å; L110-L144 HydrophobicContact CD2-CB 4.49Å; L110-L144 HydrophobicContact CD2-CD2 3.95Å; L110-L144 HydrophobicContact CG-CB 3.99Å; L110-L144 HydrophobicContact CG-CD2 4.31Å; L111-L144 PolarHBondContact O-N 2.87Å; V112-L144 WeakPolarHBondContact CA-O 3.49Å; V112-L144 HydrophobicContact CG1-CD2 4.36Å; V112-L144 HydrophobicContact CG2-CB 4.37Å; V112-L144 HydrophobicContact CG2-CD2 4.2Å; T113-L144 PolarHBondContact N-O 2.89Å; T113-L144 VanDerWaalsContact O-O 3.1Å; L144-C180 CarbonylContact C-O 3.58Å; L144-C180 WeakPolarHBondContact CA-O 3.46Å; L144-C180 HydrophobicContact CD1-CB 3.89Å; L144-F182 HydrophobicContact CD1-CB 4.31Å; L144-F182 HydrophobicContact CD1-CD1 3.57Å; L144-F182 HydrophobicContact CD1-CD2 4.49Å; L144-F182 HydrophobicContact CD1-CE1 3.93Å; L144-F182 HydrophobicContact CD1-CG 3.88Å; L144-F182 HydrophobicContact CD2-CD2 4.25Å; L144-F182 HydrophobicContact CD2-CG 4.27Å; L144-F182 HydrophobicContact CG-CG 4.5Å
145	F	98.7	Very high	97.6	Very high	1 Å²	1	41.3 Å²	41.3	0%	0.004	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	113.7	173.7	-65.3	-88.5	0	0	0	110.5	T113 L115 V143 L156 M160 L168 I179 C180 A181 F182	T113-F145 HydrophobicContact CG2-CD1 3.54Å; T113-F145 HydrophobicContact CG2-CE1 3.61Å; T113-F145 HydrophobicContact CG2-CG 4.16Å; T113-F145 HydrophobicContact CG2-CZ 4.28Å; T113-F145 CarbonylContact O-C 3.51Å; T113-F145 VanDerWaalsContact O-CA 3.28Å; T113-F145 WeakPolarHBondContact O-CA 3.41Å; L115-F145 HydrophobicContact CB-CB 4.42Å; L115-F145 HydrophobicContact CD1-CB 3.97Å; L115-F145 HydrophobicContact CD1-CD1 3.86Å; L115-F145 HydrophobicContact CD1-CG 4.05Å; V143-F145 HydrophobicContact CB-CE2 4.4Å; V143-F145 HydrophobicContact CG1-CD2 4.33Å; V143-F145 HydrophobicContact CG1-CE2 3.77Å; V143-F145 HydrophobicContact CG1-CZ 3.9Å; F145-L156 HydrophobicContact CB-CD1 4.33Å; F145-L156 HydrophobicContact CD2-CD1 3.87Å; F145-L156 HydrophobicContact CD2-CD2 4.15Å; F145-L156 HydrophobicContact CE2-CD1 4.4Å; F145-L156 HydrophobicContact CG-CD1 4.12Å; F145-M160 HydrophobicContact CE1-SD 4.12Å; F145-M160 HydrophobicContact CE2-SD 4.02Å; F145-M160 HydrophobicContact CZ-CE 4.44Å; F145-M160 HydrophobicContact CZ-SD 3.46Å; F145-M160 WeakPolarHBondContact CZ-SD 3.45Å; F145-L168 HydrophobicContact CE1-CD1 3.97Å; F145-L168 HydrophobicContact CE1-CD2 3.92Å; F145-L168 HydrophobicContact CZ-CD1 3.89Å; F145-L168 HydrophobicContact CZ-CD2 4.14Å; F145-L168 HydrophobicContact CZ-CG 4.41Å; F145-I179 HydrophobicContact CD2-CB 4.44Å; F145-I179 HydrophobicContact CE2-CB 3.98Å; F145-I179 HydrophobicContact CE2-CG2 3.91Å; F145-C180 PolarHBondContact N-O 3.3Å; F145-A181 HydrophobicContact CB-CB 4.14Å; F145-A181 CarbonylContact O-C 3.23Å; F145-A181 WeakPolarHBondContact O-CA 3.34Å; F145-F182 PolarHBondContact O-N 3.29Å
146	T	98.3	Very high	97.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	166.8	169.8	58.4	0	0	0	0	110.7	T33 V112 T113 Q114 L115 F182 N184	T33-T146 WeakPolarHBondContact O-CB 3.23Å; T33-T146 WeakPolarHBondContact O-CG2 3.37Å; T33-T146 PolarHBondContact O-OG1 2.98Å; V112-T146 HydrophobicContact CG1-CG2 3.47Å; V112-T146 VanDerWaalsContact CG1-CG2 3.47Å; T113-T146 PolarHBondContact O-N 3.26Å; T113-T146 PolarHBondContact O-OG1 3.49Å; Q114-T146 WeakPolarHBondContact CA-OG1 3.49Å; L115-T146 VanDerWaalsContact CB-O 3.3Å; L115-T146 WeakPolarHBondContact CB-O 3.49Å; L115-T146 PolarHBondContact N-O 2.93Å; T146-F182 CarbonylContact C-O 3.46Å; T146-F182 WeakPolarHBondContact CA-O 3.2Å; T146-N184 VanDerWaalsContact CG2-ND2 3.33Å; T146-N184 WeakPolarHBondContact CG2-ND2 3.45Å
147	H	97.6	Very high	97.6	Very high	57 Å²	57	38 Å²	38	26%	0.264	23%	0.231	S	C	.	.			trans	65.8	43	-173.7	-61.4	-109.7	0	0	0	112.7	Q114 E149 D150 F182	Q114-H147 HydrophobicContact CG-CB 4.31Å; H147-E149 VanDerWaalsContact CA-OE2 3.27Å; H147-E149 WeakPolarHBondContact CA-OE2 3.43Å; H147-E149 IonicContact CG-OE1 3.92Å; H147-E149 IonicContact ND1-OE1 3.6Å; H147-E149 PolarHBondContact O-N 3.22Å; H147-E149 VanDerWaalsContact O-N 3.12Å; H147-D150 WeakPolarHBondContact O-CB 3.42Å; H147-D150 PolarHBondContact O-N 2.82Å; H147-F182 PolarHBondContact N-O 2.9Å
148	K	98.2	Very high	97.5	Very high	59 Å²	59	42.8 Å²	42.8	26%	0.257	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-53.9	-29.7	176.5	-172.2	-169.9	-174.2	108.2	0	112.2	D150 L151 A181 F182 N183 E197	K148-D150 PolarHBondContact O-N 3.14Å; K148-D150 VanDerWaalsContact O-N 3.16Å; K148-L151 HydrophobicContact CG-CD1 4.03Å; K148-L151 VanDerWaalsContact O-CB 3.31Å; K148-L151 WeakPolarHBondContact O-CB 3.42Å; K148-L151 PolarHBondContact O-N 3.3Å; K148-A181 HydrophobicContact CB-CB 3.98Å; K148-A181 HydrophobicContact CD-CB 4.17Å; K148-A181 WeakPolarHBondContact CD-O 3.47Å; K148-A181 HydrophobicContact CG-CB 3.74Å; K148-A181 PolarHBondContact NZ-O 3.18Å; K148-F182 PolarHBondContact N-O 2.89Å; K148-N183 HydrophobicContact CB-CB 4.36Å; K148-E197 IonicContact NZ-OE2 2.95Å; K148-E197 PolarHBondContact NZ-OE2 3.09Å
149	E	97.9	Very high	97.5	Very high	66 Å²	66	45.8 Å²	45.8	31%	0.308	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-55.6	-27.5	175.8	63	-84.6	-163.1	0	0	113.5	H147 L151 N152 N183	H147-E149 VanDerWaalsContact CA-OE2 3.27Å; H147-E149 WeakPolarHBondContact CA-OE2 3.43Å; H147-E149 IonicContact CG-OE1 3.92Å; H147-E149 IonicContact ND1-OE1 3.6Å; H147-E149 PolarHBondContact O-N 3.22Å; H147-E149 VanDerWaalsContact O-N 3.12Å; E149-L151 PolarHBondContact O-N 2.82Å; E149-N152 PolarHBondContact O-N 2.91Å; E149-N183 VanDerWaalsContact OE2-CB 3.23Å; E149-N183 WeakPolarHBondContact OE2-CB 3.23Å; E149-N183 PolarHBondContact OE2-OD1 2.98Å
150	D	97.6	Very high	97.4	Very high	82 Å²	82	45.9 Å²	45.9	44%	0.439	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-69.1	-13	177.5	-67.7	-11.7	0	0	0	112.5	L115 H147 K148 N152	L115-D150 HydrophobicContact CD2-CB 4.12Å; H147-D150 WeakPolarHBondContact O-CB 3.42Å; H147-D150 PolarHBondContact O-N 2.82Å; K148-D150 PolarHBondContact O-N 3.14Å; K148-D150 VanDerWaalsContact O-N 3.16Å; D150-N152 PolarHBondContact O-N 3Å; D150-N152 PolarHBondContact O-ND2 3.01Å
151	L	97.3	Very high	97.2	Very high	25 Å²	25	52.4 Å²	52.4	13%	0.131	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-71.9	-14.2	169.5	-67.5	170.1	0	0	0	112.9	L115 K148 E149 G153 G154 L156 Y159	L115-L151 HydrophobicContact CD1-CD2 4.43Å; L115-L151 HydrophobicContact CD2-CD1 4.36Å; L115-L151 HydrophobicContact CD2-CD2 3.65Å; L115-L151 HydrophobicContact CD2-CG 3.52Å; K148-L151 HydrophobicContact CG-CD1 4.03Å; K148-L151 VanDerWaalsContact O-CB 3.31Å; K148-L151 WeakPolarHBondContact O-CB 3.42Å; K148-L151 PolarHBondContact O-N 3.3Å; E149-L151 PolarHBondContact O-N 2.82Å; L151-G153 PolarHBondContact O-N 2.73Å; L151-G154 PolarHBondContact O-N 3.02Å; L151-L156 HydrophobicContact CD1-CB 4.15Å; L151-L156 HydrophobicContact CD1-CD1 4.47Å; L151-Y159 HydrophobicContact CD2-CD2 4.35Å; L151-Y159 HydrophobicContact CD2-CG 4.04Å
152	N	96	Very high	97.1	Very high	154 Å²	154	58.4 Å²	58.4	82%	0.824	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	39	-175.5	-59.6	-61	0	0	0	113.5	E149 D150 G154	E149-N152 PolarHBondContact O-N 2.91Å; D150-N152 PolarHBondContact O-N 3Å; D150-N152 PolarHBondContact O-ND2 3.01Å; N152-G154 VanDerWaalsContact C-N 3.3Å; N152-G154 PolarHBondContact O-N 3.34Å
153	G	94.3	Very high	96.9	Very high	83 Å²	83	59.5 Å²	59.5	86%	0.856	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.2	-0	-176.6	0	0	0	0	0	115	L151	L151-G153 PolarHBondContact O-N 2.73Å
154	G	96.1	Very high	96.8	Very high	41 Å²	41	66.7 Å²	66.7	42%	0.423	37%	0.372	S	S	.	.			trans	-69.6	164.4	173.1	0	0	0	0	0	113.8	L151 N152	L151-G154 PolarHBondContact O-N 3.02Å; N152-G154 VanDerWaalsContact C-N 3.3Å; N152-G154 PolarHBondContact O-N 3.34Å
155	S	96.4	Very high	96.7	Very high	54 Å²	54	68.8 Å²	68.8	38%	0.378	38%	0.383	S	S	.	.			trans	-75.3	134.7	177.9	174.9	0	0	0	0	111.6	M157 D158 Y159	S155-M157 PolarHBondContact O-N 2.98Å; S155-M157 PolarHBondContact OG-N 3.49Å; S155-D158 VanDerWaalsContact CB-OD2 3.3Å; S155-D158 WeakPolarHBondContact CB-OD2 3.33Å; S155-D158 PolarHBondContact O-N 3.33Å; S155-D158 PolarHBondContact OG-N 3.37Å; S155-Y159 PolarHBondContact O-N 2.89Å; S155-Y159 VanDerWaalsContact O-N 3.16Å
156	L	97.2	Very high	96.6	Very high	12 Å²	12	76.9 Å²	76.9	6%	0.063	42%	0.419	C	S	.	.	H	α-helix	trans	-62.3	-35.2	170.7	178.7	65.3	0	0	0	111.4	L115 F145 L151 Y159 M160 I179 A181	L115-L156 HydrophobicContact CD1-CD1 3.85Å; F145-L156 HydrophobicContact CB-CD1 4.33Å; F145-L156 HydrophobicContact CD2-CD1 3.87Å; F145-L156 HydrophobicContact CD2-CD2 4.15Å; F145-L156 HydrophobicContact CE2-CD1 4.4Å; F145-L156 HydrophobicContact CG-CD1 4.12Å; L151-L156 HydrophobicContact CD1-CB 4.15Å; L151-L156 HydrophobicContact CD1-CD1 4.47Å; L156-Y159 HydrophobicContact CD1-CD1 4.35Å; L156-Y159 PolarHBondContact O-N 3.43Å; L156-M160 HydrophobicContact CD1-CG 4.47Å; L156-M160 WeakPolarHBondContact O-CB 3.11Å; L156-M160 WeakPolarHBondContact O-CG 3.47Å; L156-M160 PolarHBondContact O-N 2.94Å; L156-I179 HydrophobicContact CD2-CB 4.13Å; L156-I179 HydrophobicContact CD2-CD1 3.75Å; L156-I179 HydrophobicContact CD2-CG1 3.82Å; L156-I179 HydrophobicContact CG-CD1 3.78Å; L156-I179 HydrophobicContact CG-CG1 4.41Å; L156-A181 HydrophobicContact CB-CB 4.48Å; L156-A181 HydrophobicContact CD1-CB 4.08Å; L156-A181 HydrophobicContact CD2-CB 3.73Å; L156-A181 HydrophobicContact CG-CB 4.3Å
157	M	96.2	Very high	96.5	Very high	118 Å²	118	77.9 Å²	77.9	58%	0.581	43%	0.427	S	S	*	.	H	α-helix	trans	-66.1	-40.8	179.9	-66.1	-59.6	-63.1	0	0	111.4	S155 M160 H161 I179	S155-M157 PolarHBondContact O-N 2.98Å; S155-M157 PolarHBondContact OG-N 3.49Å; M157-M160 PolarHBondContact O-N 3.24Å; M157-H161 WeakPolarHBondContact O-CB 3.48Å; M157-H161 PolarHBondContact O-N 3.43Å; M157-I179 HydrophobicContact SD-CD1 3.6Å; M157-I179 HydrophobicContact SD-CG1 4.04Å
158	D	96.4	Very high	96.6	Very high	101 Å²	101	75.2 Å²	75.2	54%	0.54	41%	0.414	S	S	.	.	H	α-helix	trans	-66.9	-43.7	178	-61.4	-13.3	0	0	0	110.2	S155 M160 H161 D162	S155-D158 VanDerWaalsContact CB-OD2 3.3Å; S155-D158 WeakPolarHBondContact CB-OD2 3.33Å; S155-D158 PolarHBondContact O-N 3.33Å; S155-D158 PolarHBondContact OG-N 3.37Å; D158-M160 VanDerWaalsContact C-N 3.27Å; D158-M160 PolarHBondContact O-N 2.91Å; D158-H161 PolarHBondContact O-N 3.39Å; D158-D162 PolarHBondContact O-N 2.91Å
159	Y	96.9	Very high	96.5	Very high	69 Å²	69	74.8 Å²	74.8	27%	0.271	42%	0.419	S	S	.	.	H	α-helix	trans	-55.6	-42.9	172.8	170.2	-93.9	0	0	0	112.4	L115 G116 L151 S155 L156 S163	L115-Y159 HydrophobicContact CD1-CD1 3.63Å; L115-Y159 HydrophobicContact CD1-CE1 3.49Å; L115-Y159 VanDerWaalsContact CD1-CE1 3.49Å; L115-Y159 HydrophobicContact CD1-CG 4.23Å; L115-Y159 HydrophobicContact CG-CE1 4.26Å; G116-Y159 WeakPolarHBondContact CA-OH 3.41Å; G116-Y159 PolarHBondContact N-OH 3.28Å; G116-Y159 VanDerWaalsContact N-OH 3.08Å; L151-Y159 HydrophobicContact CD2-CD2 4.35Å; L151-Y159 HydrophobicContact CD2-CG 4.04Å; S155-Y159 PolarHBondContact O-N 2.89Å; S155-Y159 VanDerWaalsContact O-N 3.16Å; L156-Y159 HydrophobicContact CD1-CD1 4.35Å; L156-Y159 PolarHBondContact O-N 3.43Å; Y159-S163 WeakPolarHBondContact O-CB 3.47Å; Y159-S163 PolarHBondContact O-N 3.33Å; Y159-S163 VanDerWaalsContact O-N 3.12Å
160	M	96.6	Very high	96.4	Very high	23 Å²	23	78.9 Å²	78.9	11%	0.113	44%	0.436	C	S	.	.	H	α-helix	trans	-72.5	-34.5	179.8	-77.2	-56	-48.6	0	0	113.1	F145 L156 M157 D158 L168 V172 I179	F145-M160 HydrophobicContact CE1-SD 4.12Å; F145-M160 HydrophobicContact CE2-SD 4.02Å; F145-M160 HydrophobicContact CZ-CE 4.44Å; F145-M160 HydrophobicContact CZ-SD 3.46Å; F145-M160 WeakPolarHBondContact CZ-SD 3.45Å; L156-M160 HydrophobicContact CD1-CG 4.47Å; L156-M160 WeakPolarHBondContact O-CB 3.11Å; L156-M160 WeakPolarHBondContact O-CG 3.47Å; L156-M160 PolarHBondContact O-N 2.94Å; M157-M160 PolarHBondContact O-N 3.24Å; D158-M160 VanDerWaalsContact C-N 3.27Å; D158-M160 PolarHBondContact O-N 2.91Å; M160-L168 HydrophobicContact CE-CD2 4.03Å; M160-L168 HydrophobicContact CE-CG 4.02Å; M160-L168 HydrophobicContact SD-CD2 3.87Å; M160-L168 HydrophobicContact SD-CG 4.41Å; M160-V172 HydrophobicContact CE-CB 4.34Å; M160-V172 HydrophobicContact CE-CG2 3.72Å; M160-I179 HydrophobicContact CB-CD1 4.2Å; M160-I179 HydrophobicContact CG-CD1 3.54Å
161	H	95.1	Very high	96.4	Very high	155 Å²	155	75.5 Å²	75.5	72%	0.718	42%	0.418	S	S	*	.	H	α-helix	trans	-65	-41.9	175.2	178.7	-85.9	0	0	0	111.4	M157 D158 S163	M157-H161 WeakPolarHBondContact O-CB 3.48Å; M157-H161 PolarHBondContact O-N 3.43Å; D158-H161 PolarHBondContact O-N 3.39Å; H161-S163 VanDerWaalsContact C-N 3.34Å
162	D	95.7	Very high	96.5	Very high	126 Å²	126	75.1 Å²	75.1	67%	0.674	42%	0.416	S	S	*	.	S	Bend	trans	-88.7	-1.4	-176.6	-63.6	-16.1	0	0	0	113.3	D158 D164	D158-D162 PolarHBondContact O-N 2.91Å; D162-D164 PolarHBondContact O-N 3.5Å
163	S	95	Very high	96.6	Very high	23 Å²	23	71.2 Å²	71.2	16%	0.161	41%	0.405	C	S	.	.			trans	-69.4	126.6	-179.8	-169.4	0	0	0	0	112.2	Y159 H161 N165	Y159-S163 WeakPolarHBondContact O-CB 3.47Å; Y159-S163 PolarHBondContact O-N 3.33Å; Y159-S163 VanDerWaalsContact O-N 3.12Å; H161-S163 VanDerWaalsContact C-N 3.34Å; S163-N165 VanDerWaalsContact C-N 3.3Å; S163-N165 PolarHBondContact OG-N 3.39Å
164	D	96.4	Very high	96.7	Very high	151 Å²	151	69.3 Å²	69.3	81%	0.807	38%	0.381	S	S	*	.			trans	-84.3	-2	173.8	67.9	-11.6	0	0	0	113.6	D162 K166	D162-D164 PolarHBondContact O-N 3.5Å; D164-K166 PolarHBondContact O-N 3.25Å
165	N	97.4	Very high	96.8	Very high	44 Å²	44	67.3 Å²	67.3	24%	0.235	36%	0.361	C	S	.	.			trans	-78.3	86.5	-176.8	-168.6	-32.4	0	0	0	111.7	Y118 S163 A167 L168 S169	Y118-N165 PolarHBondContact O-ND2 2.93Å; S163-N165 VanDerWaalsContact C-N 3.3Å; S163-N165 PolarHBondContact OG-N 3.39Å; N165-A167 PolarHBondContact O-N 2.9Å; N165-A167 PolarHBondContact OD1-N 3.26Å; N165-L168 HydrophobicContact CB-CB 3.95Å; N165-L168 WeakPolarHBondContact O-CB 3.49Å; N165-L168 PolarHBondContact O-N 2.91Å; N165-L168 PolarHBondContact OD1-N 2.88Å; N165-L168 VanDerWaalsContact OD1-N 3.1Å; N165-S169 PolarHBondContact O-N 3.21Å; N165-S169 PolarHBondContact O-OG 3.48Å
166	K	96.5	Very high	96.8	Very high	172 Å²	172	67.3 Å²	67.3	75%	0.748	37%	0.37	S	S	*	.	H	α-helix	trans	-53.4	-31.7	-179.5	-63.6	179.6	-178.2	174.6	0	114.4	D164 K170	D164-K166 PolarHBondContact O-N 3.25Å; K166-K170 WeakPolarHBondContact O-CG 3.19Å; K166-K170 PolarHBondContact O-N 3.36Å; K166-K170 VanDerWaalsContact O-N 3.15Å
167	A	97	Very high	96.8	Very high	21 Å²	21	68.7 Å²	68.7	17%	0.174	39%	0.387	C	S	.	.	H	α-helix	trans	-72.9	-40.6	179.1	0	0	0	0	0	111.3	Y118 Q123 N165 K170 L171	Y118-A167 HydrophobicContact CD1-CB 4.41Å; Y118-A167 HydrophobicContact CE1-CB 3.93Å; Q123-A167 HydrophobicContact CG-CB 3.91Å; N165-A167 PolarHBondContact O-N 2.9Å; N165-A167 PolarHBondContact OD1-N 3.26Å; A167-K170 PolarHBondContact O-N 3.47Å; A167-L171 PolarHBondContact O-N 3.45Å; A167-L171 VanDerWaalsContact O-N 3.08Å
168	L	97.9	Very high	96.9	Very high	1 Å²	1	64.5 Å²	64.5	1%	0.005	36%	0.364	C	S	.	.	H	α-helix	trans	-63.3	-44.3	172.9	-178.7	61.2	0	0	0	111.3	Y118 F145 M160 N165 K170 L171 V172	Y118-L168 HydrophobicContact CD1-CB 3.69Å; Y118-L168 HydrophobicContact CD1-CD1 4.23Å; Y118-L168 HydrophobicContact CD2-CD1 3.78Å; Y118-L168 HydrophobicContact CE1-CB 4.2Å; Y118-L168 HydrophobicContact CE2-CD1 4.21Å; Y118-L168 HydrophobicContact CG-CB 3.98Å; Y118-L168 HydrophobicContact CG-CD1 3.8Å; Y118-L168 HydrophobicContact CG-CG 4.36Å; F145-L168 HydrophobicContact CE1-CD1 3.97Å; F145-L168 HydrophobicContact CE1-CD2 3.92Å; F145-L168 HydrophobicContact CZ-CD1 3.89Å; F145-L168 HydrophobicContact CZ-CD2 4.14Å; F145-L168 HydrophobicContact CZ-CG 4.41Å; M160-L168 HydrophobicContact CE-CD2 4.03Å; M160-L168 HydrophobicContact CE-CG 4.02Å; M160-L168 HydrophobicContact SD-CD2 3.87Å; M160-L168 HydrophobicContact SD-CG 4.41Å; N165-L168 HydrophobicContact CB-CB 3.95Å; N165-L168 WeakPolarHBondContact O-CB 3.49Å; N165-L168 PolarHBondContact O-N 2.91Å; N165-L168 PolarHBondContact OD1-N 2.88Å; N165-L168 VanDerWaalsContact OD1-N 3.1Å; L168-K170 VanDerWaalsContact C-N 3.29Å; L168-K170 PolarHBondContact O-N 3.33Å; L168-L171 HydrophobicContact CD1-CD2 4.49Å; L168-L171 WeakPolarHBondContact O-CB 3.47Å; L168-L171 PolarHBondContact O-N 3.35Å; L168-L171 VanDerWaalsContact O-N 3.1Å; L168-V172 HydrophobicContact CD1-CG2 4.29Å; L168-V172 WeakPolarHBondContact O-CG2 3.42Å; L168-V172 PolarHBondContact O-N 3.46Å
169	S	97.3	Very high	97	Very high	50 Å²	50	60.7 Å²	60.7	35%	0.35	34%	0.344	S	S	.	.	H	α-helix	trans	-59	-40.5	177.1	-42.9	0	0	0	0	111.9	N165 V172 A173	N165-S169 PolarHBondContact O-N 3.21Å; N165-S169 PolarHBondContact O-OG 3.48Å; S169-V172 PolarHBondContact O-N 2.99Å; S169-A173 WeakPolarHBondContact O-CB 3.29Å; S169-A173 PolarHBondContact O-N 2.91Å
170	K	96.4	Very high	97.1	Very high	152 Å²	152	57.4 Å²	57.4	66%	0.661	33%	0.331	S	S	*	.	H	α-helix	trans	-63.3	-41.9	174.5	-76.2	176.4	-179.3	-177.5	0	112.4	K166 A167 L168 A173 A174	K166-K170 WeakPolarHBondContact O-CG 3.19Å; K166-K170 PolarHBondContact O-N 3.36Å; K166-K170 VanDerWaalsContact O-N 3.15Å; A167-K170 PolarHBondContact O-N 3.47Å; L168-K170 VanDerWaalsContact C-N 3.29Å; L168-K170 PolarHBondContact O-N 3.33Å; K170-A173 PolarHBondContact O-N 2.92Å; K170-A174 WeakPolarHBondContact O-CB 3.4Å; K170-A174 PolarHBondContact O-N 2.95Å
171	L	97.6	Very high	97.2	Very high	11 Å²	11	56.3 Å²	56.3	6%	0.058	33%	0.326	C	S	.	.	H	α-helix	trans	-62.3	-49.3	176.8	173.6	64.7	0	0	0	111.1	L111 Y118 A126 M138 V143 A167 L168 A173 A174 C175	L111-L171 HydrophobicContact CD2-CD1 3.62Å; L111-L171 HydrophobicContact CD2-CD2 3.59Å; L111-L171 HydrophobicContact CD2-CG 4.13Å; Y118-L171 HydrophobicContact CE2-CD2 3.52Å; Y118-L171 WeakPolarHBondContact OH-CD2 3.46Å; A126-L171 HydrophobicContact CB-CD1 4.03Å; M138-L171 HydrophobicContact SD-CD1 4.42Å; V143-L171 HydrophobicContact CG2-CD2 4.22Å; V143-L171 HydrophobicContact CG2-CG 4.13Å; A167-L171 PolarHBondContact O-N 3.45Å; A167-L171 VanDerWaalsContact O-N 3.08Å; L168-L171 HydrophobicContact CD1-CD2 4.49Å; L168-L171 WeakPolarHBondContact O-CB 3.47Å; L168-L171 PolarHBondContact O-N 3.35Å; L168-L171 VanDerWaalsContact O-N 3.1Å; L171-A173 VanDerWaalsContact C-N 3.3Å; L171-A173 PolarHBondContact O-N 3.3Å; L171-A174 WeakPolarHBondContact O-CB 3.47Å; L171-A174 PolarHBondContact O-N 3.46Å; L171-A174 VanDerWaalsContact O-N 3.15Å; L171-C175 PolarHBondContact O-N 2.91Å; L171-C175 PolarHBondContact O-SG 3.2Å
172	V	97.9	Very high	97.4	Very high	16 Å²	16	49 Å²	49	10%	0.097	29%	0.291	C	S	.	.	H	α-helix	trans	-62	-40.3	-179.9	170.6	0	0	0	0	110.9	V143 M160 L168 S169 C175 G176 G177 I179	V143-V172 HydrophobicContact CG2-CG2 4.39Å; M160-V172 HydrophobicContact CE-CB 4.34Å; M160-V172 HydrophobicContact CE-CG2 3.72Å; L168-V172 HydrophobicContact CD1-CG2 4.29Å; L168-V172 WeakPolarHBondContact O-CG2 3.42Å; L168-V172 PolarHBondContact O-N 3.46Å; S169-V172 PolarHBondContact O-N 2.99Å; V172-C175 CarbonylContact O-C 3.57Å; V172-C175 VanDerWaalsContact O-C 3.3Å; V172-C175 WeakPolarHBondContact O-CA 3.41Å; V172-C175 PolarHBondContact O-N 3.26Å; V172-C175 VanDerWaalsContact O-N 3.15Å; V172-G176 PolarHBondContact O-N 3.07Å; V172-G177 PolarHBondContact O-N 3.41Å; V172-I179 HydrophobicContact CB-CG2 4.43Å; V172-I179 HydrophobicContact CG1-CG2 3.73Å; V172-I179 HydrophobicContact CG2-CG2 3.85Å
173	A	97.7	Very high	97.5	Very high	72 Å²	72	44.9 Å²	44.9	60%	0.595	27%	0.27	S	S	*	.	H	α-helix	trans	-62	-43.3	173.2	0	0	0	0	0	112.6	S169 K170 L171 C175 G176	S169-A173 WeakPolarHBondContact O-CB 3.29Å; S169-A173 PolarHBondContact O-N 2.91Å; K170-A173 PolarHBondContact O-N 2.92Å; L171-A173 VanDerWaalsContact C-N 3.3Å; L171-A173 PolarHBondContact O-N 3.3Å; A173-C175 PolarHBondContact O-N 2.89Å; A173-G176 PolarHBondContact O-N 3.49Å
174	A	96.8	Very high	97.6	Very high	43 Å²	43	45.5 Å²	45.5	36%	0.355	27%	0.271	S	S	.	.	H	α-helix	trans	-63.5	-28.1	175.1	0	0	0	0	0	112.6	M138 K170 L171 G176	M138-A174 HydrophobicContact CB-CB 4.47Å; K170-A174 WeakPolarHBondContact O-CB 3.4Å; K170-A174 PolarHBondContact O-N 2.95Å; L171-A174 WeakPolarHBondContact O-CB 3.47Å; L171-A174 PolarHBondContact O-N 3.46Å; L171-A174 VanDerWaalsContact O-N 3.15Å; A174-G176 VanDerWaalsContact C-N 3.28Å
175	C	98.2	Very high	97.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	21.3	173.2	-56.1	0	0	0	0	112.6	V143 L171 V172 A173 G177 R178	V143-C175 HydrophobicContact CG2-CB 4.02Å; L171-C175 PolarHBondContact O-N 2.91Å; L171-C175 PolarHBondContact O-SG 3.2Å; V172-C175 CarbonylContact O-C 3.57Å; V172-C175 VanDerWaalsContact O-C 3.3Å; V172-C175 WeakPolarHBondContact O-CA 3.41Å; V172-C175 PolarHBondContact O-N 3.26Å; V172-C175 VanDerWaalsContact O-N 3.15Å; A173-C175 PolarHBondContact O-N 2.89Å; C175-G177 PolarHBondContact O-N 3.42Å; C175-G177 VanDerWaalsContact O-N 3.12Å; C175-R178 VanDerWaalsContact C-CZ 3.44Å; C175-R178 WeakPolarHBondContact O-CB 3.49Å; C175-R178 PolarHBondContact O-N 2.92Å; C175-R178 PolarHBondContact O-NE 3.48Å; C175-R178 VanDerWaalsContact O-NE 3.09Å; C175-R178 PolarHBondContact O-NH1 3.22Å; C175-R178 PolarHBondContact O-NH2 3.2Å
176	G	97.4	Very high	97.6	Very high	54 Å²	54	46.1 Å²	46.1	56%	0.557	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	25.6	175.3	0	0	0	0	0	115.1	V172 A173 A174 R178	V172-G176 PolarHBondContact O-N 3.07Å; A173-G176 PolarHBondContact O-N 3.49Å; A174-G176 VanDerWaalsContact C-N 3.28Å; G176-R178 VanDerWaalsContact C-N 3.25Å; G176-R178 PolarHBondContact O-N 3.41Å
177	G	97.5	Very high	97.7	Very high	41 Å²	41	45.4 Å²	45.4	42%	0.423	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	2	-177.7	0	0	0	0	0	114.9	V172 C175 I179	V172-G177 PolarHBondContact O-N 3.41Å; C175-G177 PolarHBondContact O-N 3.42Å; C175-G177 VanDerWaalsContact O-N 3.12Å; G177-I179 PolarHBondContact O-N 3.22Å
178	R	98.5	Very high	97.7	Very high	30 Å²	30	46.7 Å²	46.7	11%	0.113	28%	0.276	C	S	.	.			trans	-74.6	107.7	-176.8	-63.3	174.5	-65.4	-86.6	-1	111.2	M138 G139 T141 I142 V143 C175 G176	M138-R178 PolarHBondContact O-NH2 3.14Å; G139-R178 PolarHBondContact O-NH2 2.88Å; T141-R178 PolarHBondContact O-NE 3.06Å; T141-R178 PolarHBondContact O-NH2 2.89Å; I142-R178 HydrophobicContact CG1-CB 4.1Å; I142-R178 HydrophobicContact CG2-CB 4.43Å; V143-R178 PolarHBondContact N-O 3.01Å; C175-R178 VanDerWaalsContact C-CZ 3.44Å; C175-R178 WeakPolarHBondContact O-CB 3.49Å; C175-R178 PolarHBondContact O-N 2.92Å; C175-R178 PolarHBondContact O-NE 3.48Å; C175-R178 VanDerWaalsContact O-NE 3.09Å; C175-R178 PolarHBondContact O-NH1 3.22Å; C175-R178 PolarHBondContact O-NH2 3.2Å; G176-R178 VanDerWaalsContact C-N 3.25Å; G176-R178 PolarHBondContact O-N 3.41Å
179	I	98.4	Very high	97.7	Very high	21 Å²	21	50.4 Å²	50.4	11%	0.108	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	149.8	-179.9	64.8	175.1	0	0	0	110.8	V143 F145 L156 M157 M160 V172 G177	V143-I179 HydrophobicContact CB-CG2 4.31Å; V143-I179 CarbonylContact O-C 3.44Å; V143-I179 VanDerWaalsContact O-CA 3.31Å; V143-I179 WeakPolarHBondContact O-CA 3.46Å; F145-I179 HydrophobicContact CD2-CB 4.44Å; F145-I179 HydrophobicContact CE2-CB 3.98Å; F145-I179 HydrophobicContact CE2-CG2 3.91Å; L156-I179 HydrophobicContact CD2-CB 4.13Å; L156-I179 HydrophobicContact CD2-CD1 3.75Å; L156-I179 HydrophobicContact CD2-CG1 3.82Å; L156-I179 HydrophobicContact CG-CD1 3.78Å; L156-I179 HydrophobicContact CG-CG1 4.41Å; M157-I179 HydrophobicContact SD-CD1 3.6Å; M157-I179 HydrophobicContact SD-CG1 4.04Å; M160-I179 HydrophobicContact CB-CD1 4.2Å; M160-I179 HydrophobicContact CG-CD1 3.54Å; V172-I179 HydrophobicContact CB-CG2 4.43Å; V172-I179 HydrophobicContact CG1-CG2 3.73Å; V172-I179 HydrophobicContact CG2-CG2 3.85Å; G177-I179 PolarHBondContact O-N 3.22Å
180	C	98.4	Very high	97.7	Very high	0 Å²	0	53 Å²	53	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	158.1	171.6	-171	0	0	0	0	108.9	V143 L144 F145 L198	V143-C180 PolarHBondContact O-N 3.46Å; L144-C180 CarbonylContact C-O 3.58Å; L144-C180 WeakPolarHBondContact CA-O 3.46Å; L144-C180 HydrophobicContact CD1-CB 3.89Å; F145-C180 PolarHBondContact N-O 3.3Å; C180-L198 HydrophobicContact CB-CD1 4.36Å
181	A	98.6	Very high	97.8	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	136.3	177.6	0	0	0	0	0	112.5	F145 K148 L156	F145-A181 HydrophobicContact CB-CB 4.14Å; F145-A181 CarbonylContact O-C 3.23Å; F145-A181 WeakPolarHBondContact O-CA 3.34Å; K148-A181 HydrophobicContact CB-CB 3.98Å; K148-A181 HydrophobicContact CD-CB 4.17Å; K148-A181 WeakPolarHBondContact CD-O 3.47Å; K148-A181 HydrophobicContact CG-CB 3.74Å; K148-A181 PolarHBondContact NZ-O 3.18Å; L156-A181 HydrophobicContact CB-CB 4.48Å; L156-A181 HydrophobicContact CD1-CB 4.08Å; L156-A181 HydrophobicContact CD2-CB 3.73Å; L156-A181 HydrophobicContact CG-CB 4.3Å
182	F	98.5	Very high	97.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	137.5	-177.9	-88.7	30.5	0	0	0	111.7	A38 I42 L144 F145 T146 H147 K148 Q194 V195 L198	A38-F182 HydrophobicContact CB-CD2 4.41Å; I42-F182 HydrophobicContact CG1-CE2 3.82Å; I42-F182 HydrophobicContact CG1-CZ 4.09Å; L144-F182 HydrophobicContact CD1-CB 4.31Å; L144-F182 HydrophobicContact CD1-CD1 3.57Å; L144-F182 HydrophobicContact CD1-CD2 4.49Å; L144-F182 HydrophobicContact CD1-CE1 3.93Å; L144-F182 HydrophobicContact CD1-CG 3.88Å; L144-F182 HydrophobicContact CD2-CD2 4.25Å; L144-F182 HydrophobicContact CD2-CG 4.27Å; L144-F182 HydrophobicContact CG-CG 4.5Å; F145-F182 PolarHBondContact O-N 3.29Å; T146-F182 CarbonylContact C-O 3.46Å; T146-F182 WeakPolarHBondContact CA-O 3.2Å; H147-F182 PolarHBondContact N-O 2.9Å; K148-F182 PolarHBondContact N-O 2.89Å; F182-Q194 HydrophobicContact CD1-CB 3.92Å; F182-Q194 HydrophobicContact CD1-CG 4.02Å; F182-Q194 HydrophobicContact CE1-CB 4Å; F182-Q194 HydrophobicContact CE1-CG 4.06Å; F182-Q194 WeakPolarHBondContact CE1-O 3.18Å; F182-Q194 HydrophobicContact CG-CG 4.3Å; F182-Q194 HydrophobicContact CZ-CG 4.34Å; F182-V195 HydrophobicContact CE2-CG2 4.22Å; F182-V195 HydrophobicContact CZ-CG2 3.99Å; F182-L198 HydrophobicContact CE1-CB 3.92Å; F182-L198 HydrophobicContact CE1-CD2 4.31Å; F182-L198 HydrophobicContact CZ-CB 4.04Å; F182-L198 HydrophobicContact CZ-CD2 3.79Å
183	N	98.3	Very high	97.8	Very high	40 Å²	40	53.8 Å²	53.8	21%	0.214	32%	0.322	C	S	.	.			trans	-94.2	107	151.4	176.2	-4.8	0	0	0	107.2	K148 E149 R185 A186 Q194	K148-N183 HydrophobicContact CB-CB 4.36Å; E149-N183 VanDerWaalsContact OE2-CB 3.23Å; E149-N183 WeakPolarHBondContact OE2-CB 3.23Å; E149-N183 PolarHBondContact OE2-OD1 2.98Å; N183-R185 PolarHBondContact O-N 2.82Å; N183-R185 VanDerWaalsContact O-N 3.07Å; N183-R185 WeakPolarHBondContact OD1-CA 3.35Å; N183-R185 WeakPolarHBondContact OD1-CB 3.36Å; N183-R185 PolarHBondContact OD1-N 3.49Å; N183-A186 HydrophobicContact CB-CB 4.21Å; N183-A186 VanDerWaalsContact O-CB 3.26Å; N183-A186 WeakPolarHBondContact O-CB 3.41Å; N183-A186 PolarHBondContact O-N 2.97Å; N183-A186 PolarHBondContact OD1-N 2.83Å; N183-Q194 PolarHBondContact O-NE2 3.2Å; N183-Q194 PolarHBondContact O-OE1 3.21Å
184	N	97.5	Very high	97.8	Very high	36 Å²	36	50.8 Å²	50.8	19%	0.193	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-6.1	-177.8	-71	-29.4	0	0	0	113.6	G34 A37 A38 T146	G34-N184 PolarHBondContact O-ND2 2.94Å; A37-N184 HydrophobicContact CB-CB 3.93Å; A38-N184 VanDerWaalsContact CA-OD1 3.32Å; A38-N184 WeakPolarHBondContact CA-OD1 3.44Å; T146-N184 VanDerWaalsContact CG2-ND2 3.33Å; T146-N184 WeakPolarHBondContact CG2-ND2 3.45Å
185	R	96.5	Very high	97.9	Very high	195 Å²	195	48.8 Å²	48.8	74%	0.736	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	1.6	174.1	-55.1	176.1	179.6	174	0.2	112.5	N183	N183-R185 PolarHBondContact O-N 2.82Å; N183-R185 VanDerWaalsContact O-N 3.07Å; N183-R185 WeakPolarHBondContact OD1-CA 3.35Å; N183-R185 WeakPolarHBondContact OD1-CB 3.36Å; N183-R185 PolarHBondContact OD1-N 3.49Å
186	A	97.5	Very high	97.9	Very high	13 Å²	13	53.5 Å²	53.5	11%	0.107	30%	0.299	C	S	.	.			trans	-64.2	141.2	174.3	0	0	0	0	0	110.1	N183 N190 Q191	N183-A186 HydrophobicContact CB-CB 4.21Å; N183-A186 VanDerWaalsContact O-CB 3.26Å; N183-A186 WeakPolarHBondContact O-CB 3.41Å; N183-A186 PolarHBondContact O-N 2.97Å; N183-A186 PolarHBondContact OD1-N 2.83Å; A186-N190 HydrophobicContact CB-CB 4.07Å; A186-Q191 HydrophobicContact CB-CB 4.4Å
187	E	97.7	Very high	97.9	Very high	157 Å²	157	54.7 Å²	54.7	73%	0.734	29%	0.291	S	S	*	.			trans	-126.8	161.6	178	-63.1	-178	173.2	0	0	109.7	N190	E187-N190 PolarHBondContact O-N 3.12Å
188	G	97.2	Very high	98	Very high	48 Å²	48	52.7 Å²	52.7	50%	0.495	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	59	-137	175.8	0	0	0	0	0	113	N190 Q191 D192	G188-N190 VanDerWaalsContact C-N 3.28Å; G188-N190 PolarHBondContact O-N 3.01Å; G188-Q191 WeakPolarHBondContact O-CB 3.48Å; G188-Q191 PolarHBondContact O-N 3.31Å; G188-D192 PolarHBondContact O-N 2.96Å; G188-D192 VanDerWaalsContact O-N 3.08Å
189	S	97.3	Very high	98	Very high	79 Å²	79	52 Å²	52	55%	0.552	27%	0.269	S	S	*	.	H	α-helix	trans	-58.4	-37.7	-176.9	58.6	0	0	0	0	113.1	Q191 D192 D193	S189-Q191 PolarHBondContact O-N 2.79Å; S189-D192 PolarHBondContact O-N 3.15Å; S189-D192 VanDerWaalsContact O-N 3.12Å; S189-D193 WeakPolarHBondContact O-CB 3.39Å; S189-D193 PolarHBondContact O-N 3.06Å
190	N	97.5	Very high	98	Very high	106 Å²	106	53.9 Å²	53.9	57%	0.567	28%	0.279	S	S	*	.	H	α-helix	trans	-63.2	-33.6	178.3	-67.3	-26.4	0	0	0	111.9	A186 E187 G188 Q194	A186-N190 HydrophobicContact CB-CB 4.07Å; E187-N190 PolarHBondContact O-N 3.12Å; G188-N190 VanDerWaalsContact C-N 3.28Å; G188-N190 PolarHBondContact O-N 3.01Å; N190-Q194 PolarHBondContact O-N 3.26Å
191	Q	98.2	Very high	98	Very high	35 Å²	35	55 Å²	55	16%	0.164	29%	0.286	C	S	.	.	H	α-helix	trans	-71.2	-43.6	173.5	-172.6	-179.1	9.7	0	0	111.2	S41 A186 G188 S189 D193 Q194 V195	S41-Q191 PolarHBondContact O-NE2 3.15Å; A186-Q191 HydrophobicContact CB-CB 4.4Å; G188-Q191 WeakPolarHBondContact O-CB 3.48Å; G188-Q191 PolarHBondContact O-N 3.31Å; S189-Q191 PolarHBondContact O-N 2.79Å; Q191-D193 VanDerWaalsContact C-N 3.33Å; Q191-D193 PolarHBondContact O-N 3.04Å; Q191-Q194 VanDerWaalsContact O-CG 3.26Å; Q191-Q194 WeakPolarHBondContact O-CG 3.35Å; Q191-V195 WeakPolarHBondContact O-CB 3.42Å; Q191-V195 VanDerWaalsContact O-CG2 3.24Å; Q191-V195 WeakPolarHBondContact O-CG2 3.4Å; Q191-V195 PolarHBondContact O-N 3.46Å; Q191-V195 VanDerWaalsContact O-N 3.11Å
192	D	97.8	Very high	97.9	Very high	62 Å²	62	55.1 Å²	55.1	33%	0.332	29%	0.287	S	S	.	.	H	α-helix	trans	-63.7	-39.7	178.4	-73	-35	0	0	0	111.4	R44 W68 G188 S189 V195 K196	R44-D192 WeakPolarHBondContact CD-OD1 3.3Å; R44-D192 IonicContact NH1-OD1 3.45Å; R44-D192 PolarHBondContact NH1-OD1 3.24Å; W68-D192 WeakPolarHBondContact CH2-O 3.27Å; G188-D192 PolarHBondContact O-N 2.96Å; G188-D192 VanDerWaalsContact O-N 3.08Å; S189-D192 PolarHBondContact O-N 3.15Å; S189-D192 VanDerWaalsContact O-N 3.12Å; D192-V195 PolarHBondContact O-N 3.12Å; D192-K196 VanDerWaalsContact O-CB 3.24Å; D192-K196 WeakPolarHBondContact O-CB 3.32Å; D192-K196 PolarHBondContact O-N 3.37Å
193	D	98.2	Very high	97.9	Very high	98 Å²	98	60.6 Å²	60.6	52%	0.524	31%	0.313	S	S	.	.	H	α-helix	trans	-63.8	-47	-179.9	-70	-22.9	0	0	0	112.2	S189 Q191 K196 E197	S189-D193 WeakPolarHBondContact O-CB 3.39Å; S189-D193 PolarHBondContact O-N 3.06Å; Q191-D193 VanDerWaalsContact C-N 3.33Å; Q191-D193 PolarHBondContact O-N 3.04Å; D193-K196 WeakPolarHBondContact O-CB 3.44Å; D193-K196 PolarHBondContact O-N 2.94Å; D193-E197 PolarHBondContact O-N 3.25Å
194	Q	98.2	Very high	97.9	Very high	9 Å²	9	64 Å²	64	4%	0.042	33%	0.33	C	S	.	.	H	α-helix	trans	-69	-37	177.9	68.9	-177	9.6	0	0	112	F182 N183 N190 Q191 K196 E197 L198	F182-Q194 HydrophobicContact CD1-CB 3.92Å; F182-Q194 HydrophobicContact CD1-CG 4.02Å; F182-Q194 HydrophobicContact CE1-CB 4Å; F182-Q194 HydrophobicContact CE1-CG 4.06Å; F182-Q194 WeakPolarHBondContact CE1-O 3.18Å; F182-Q194 HydrophobicContact CG-CG 4.3Å; F182-Q194 HydrophobicContact CZ-CG 4.34Å; N183-Q194 PolarHBondContact O-NE2 3.2Å; N183-Q194 PolarHBondContact O-OE1 3.21Å; N190-Q194 PolarHBondContact O-N 3.26Å; Q191-Q194 VanDerWaalsContact O-CG 3.26Å; Q191-Q194 WeakPolarHBondContact O-CG 3.35Å; Q194-K196 VanDerWaalsContact C-N 3.31Å; Q194-E197 PolarHBondContact O-N 3.26Å; Q194-L198 PolarHBondContact O-N 3.02Å; Q194-L198 VanDerWaalsContact O-N 3.11Å
195	V	98.5	Very high	97.9	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-67.6	-37.5	176.2	175.8	0	0	0	0	110	S41 W68 F182 Q191 D192 L198 M199	S41-V195 WeakPolarHBondContact O-CG2 3.26Å; W68-V195 HydrophobicContact CD2-CG1 4.12Å; W68-V195 HydrophobicContact CE3-CG1 3.58Å; W68-V195 HydrophobicContact CH2-CB 4.08Å; W68-V195 HydrophobicContact CH2-CG1 3.92Å; W68-V195 HydrophobicContact CZ2-CG1 4.41Å; W68-V195 HydrophobicContact CZ3-CB 3.92Å; W68-V195 HydrophobicContact CZ3-CG1 3.47Å; W68-V195 VanDerWaalsContact CZ3-CG1 3.47Å; F182-V195 HydrophobicContact CE2-CG2 4.22Å; F182-V195 HydrophobicContact CZ-CG2 3.99Å; Q191-V195 WeakPolarHBondContact O-CB 3.42Å; Q191-V195 VanDerWaalsContact O-CG2 3.24Å; Q191-V195 WeakPolarHBondContact O-CG2 3.4Å; Q191-V195 PolarHBondContact O-N 3.46Å; Q191-V195 VanDerWaalsContact O-N 3.11Å; D192-V195 PolarHBondContact O-N 3.12Å; V195-L198 PolarHBondContact O-N 3.06Å; V195-M199 HydrophobicContact CG1-CE 4.13Å; V195-M199 HydrophobicContact CG1-CG 4.25Å; V195-M199 WeakPolarHBondContact O-CG 3.07Å; V195-M199 PolarHBondContact O-N 3.19Å
196	K	98.3	Very high	97.9	Very high	99 Å²	99	53.5 Å²	53.5	43%	0.43	29%	0.289	S	S	.	.	H	α-helix	trans	-59.6	-48.2	171.9	178.3	166.5	169.3	36.2	0	111.7	W68 D192 D193 Q194 L198 M199 D200	W68-K196 HydrophobicContact CH2-CB 4.21Å; W68-K196 HydrophobicContact CZ2-CB 3.79Å; W68-K196 HydrophobicContact CZ2-CG 4.47Å; D192-K196 VanDerWaalsContact O-CB 3.24Å; D192-K196 WeakPolarHBondContact O-CB 3.32Å; D192-K196 PolarHBondContact O-N 3.37Å; D193-K196 WeakPolarHBondContact O-CB 3.44Å; D193-K196 PolarHBondContact O-N 2.94Å; Q194-K196 VanDerWaalsContact C-N 3.31Å; K196-L198 VanDerWaalsContact C-N 3.27Å; K196-L198 PolarHBondContact O-N 2.94Å; K196-M199 PolarHBondContact O-N 2.86Å; K196-D200 VanDerWaalsContact NZ-CG 3.26Å; K196-D200 IonicContact NZ-OD1 3.2Å; K196-D200 PolarHBondContact NZ-OD1 3.09Å; K196-D200 IonicContact NZ-OD2 2.77Å; K196-D200 PolarHBondContact NZ-OD2 3.44Å; K196-D200 VanDerWaalsContact O-CG 3.24Å; K196-D200 PolarHBondContact O-N 2.82Å
197	E	98.1	Very high	97.9	Very high	79 Å²	79	59.1 Å²	59.1	37%	0.369	32%	0.315	S	S	.	.	H	α-helix	trans	-55.5	-42.3	177.1	-172.7	179.9	-178.6	0	0	111.7	K148 D193 Q194 C201	K148-E197 IonicContact NZ-OE2 2.95Å; K148-E197 PolarHBondContact NZ-OE2 3.09Å; D193-E197 PolarHBondContact O-N 3.25Å; Q194-E197 PolarHBondContact O-N 3.26Å; E197-C201 PolarHBondContact O-N 3.4Å
198	L	98.7	Very high	97.8	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-64.6	-44.9	173.6	175.9	63.7	0	0	0	112.1	I42 L110 I142 C180 F182 Q194 V195 K196 D200 C201 I202	I42-L198 HydrophobicContact CD1-CD2 3.6Å; I42-L198 HydrophobicContact CG1-CD2 3.8Å; L110-L198 HydrophobicContact CD1-CD1 3.77Å; L110-L198 HydrophobicContact CD2-CD2 4.03Å; I142-L198 HydrophobicContact CD1-CD1 4.44Å; I142-L198 HydrophobicContact CG2-CD1 4.29Å; C180-L198 HydrophobicContact CB-CD1 4.36Å; F182-L198 HydrophobicContact CE1-CB 3.92Å; F182-L198 HydrophobicContact CE1-CD2 4.31Å; F182-L198 HydrophobicContact CZ-CB 4.04Å; F182-L198 HydrophobicContact CZ-CD2 3.79Å; Q194-L198 PolarHBondContact O-N 3.02Å; Q194-L198 VanDerWaalsContact O-N 3.11Å; V195-L198 PolarHBondContact O-N 3.06Å; K196-L198 VanDerWaalsContact C-N 3.27Å; K196-L198 PolarHBondContact O-N 2.94Å; L198-D200 VanDerWaalsContact C-N 3.34Å; L198-D200 PolarHBondContact O-N 2.95Å; L198-C201 WeakPolarHBondContact O-CB 3.44Å; L198-C201 PolarHBondContact O-N 3.02Å; L198-I202 HydrophobicContact CD1-CD1 4.17Å; L198-I202 HydrophobicContact CD1-CG1 4.33Å; L198-I202 HydrophobicContact CG-CD1 3.98Å; L198-I202 HydrophobicContact CG-CG1 4.5Å; L198-I202 VanDerWaalsContact O-CG1 3.3Å; L198-I202 WeakPolarHBondContact O-CG1 3.46Å; L198-I202 PolarHBondContact O-N 3.45Å
199	M	98.2	Very high	97.8	Very high	15 Å²	15	57.2 Å²	57.2	7%	0.074	29%	0.292	C	S	.	.	H	α-helix	trans	-66.5	-36.1	-177.6	-67.9	-72	178	0	0	112.1	L23 I42 W68 I73 V195 K196 I202 E203	L23-M199 HydrophobicContact CD2-SD 4.38Å; I42-M199 HydrophobicContact CG2-CE 3.78Å; W68-M199 HydrophobicContact CB-CE 3.87Å; W68-M199 HydrophobicContact CB-SD 4.33Å; W68-M199 HydrophobicContact CD2-CE 4.43Å; W68-M199 HydrophobicContact CD2-CG 4.06Å; W68-M199 HydrophobicContact CG-CE 3.96Å; W68-M199 HydrophobicContact CG-CG 3.88Å; W68-M199 HydrophobicContact CG-SD 4.1Å; I73-M199 HydrophobicContact CD1-CE 4.06Å; I73-M199 HydrophobicContact CD1-SD 4.31Å; I73-M199 HydrophobicContact CG1-CE 4.21Å; V195-M199 HydrophobicContact CG1-CE 4.13Å; V195-M199 HydrophobicContact CG1-CG 4.25Å; V195-M199 WeakPolarHBondContact O-CG 3.07Å; V195-M199 PolarHBondContact O-N 3.19Å; K196-M199 PolarHBondContact O-N 2.86Å; M199-I202 PolarHBondContact O-N 2.92Å; M199-I202 HydrophobicContact SD-CD1 4.39Å; M199-E203 PolarHBondContact O-N 3.17Å
200	D	98.1	Very high	97.7	Very high	61 Å²	61	60.3 Å²	60.3	33%	0.326	30%	0.302	S	S	.	.	H	α-helix	trans	-63.6	-43.4	173.8	-64.4	-10.8	0	0	0	110	K196 L198 I202 E203 D204	K196-D200 VanDerWaalsContact NZ-CG 3.26Å; K196-D200 IonicContact NZ-OD1 3.2Å; K196-D200 PolarHBondContact NZ-OD1 3.09Å; K196-D200 IonicContact NZ-OD2 2.77Å; K196-D200 PolarHBondContact NZ-OD2 3.44Å; K196-D200 VanDerWaalsContact O-CG 3.24Å; K196-D200 PolarHBondContact O-N 2.82Å; L198-D200 VanDerWaalsContact C-N 3.34Å; L198-D200 PolarHBondContact O-N 2.95Å; D200-I202 VanDerWaalsContact C-N 3.33Å; D200-I202 PolarHBondContact O-N 3.45Å; D200-E203 PolarHBondContact O-N 2.77Å; D200-D204 PolarHBondContact O-N 3.03Å
201	C	98.3	Very high	97.6	Very high	22 Å²	22	57.1 Å²	57.1	15%	0.149	30%	0.295	C	S	.	.	H	α-helix	trans	-63.2	-36.1	174.3	-172.3	0	0	0	0	113.1	I142 E197 L198 L205	I142-C201 HydrophobicContact CD1-CB 4.4Å; E197-C201 PolarHBondContact O-N 3.4Å; L198-C201 WeakPolarHBondContact O-CB 3.44Å; L198-C201 PolarHBondContact O-N 3.02Å; C201-L205 WeakPolarHBondContact O-CB 3.32Å; C201-L205 PolarHBondContact O-N 2.89Å; C201-L205 VanDerWaalsContact O-N 3.09Å
202	I	98.3	Very high	97.5	Very high	3 Å²	3	60.5 Å²	60.5	2%	0.015	31%	0.314	C	S	.	.	H	α-helix	trans	-68.7	-39.4	174.8	-68.3	173.7	0	0	0	111	L23 I25 V108 I142 L198 M199 D200 L205 L206	L23-I202 HydrophobicContact CD1-CG2 3.87Å; L23-I202 HydrophobicContact CD2-CD1 4.22Å; L23-I202 HydrophobicContact CD2-CG2 4.03Å; I25-I202 HydrophobicContact CD1-CD1 4.03Å; V108-I202 HydrophobicContact CG1-CG1 4.46Å; V108-I202 HydrophobicContact CG2-CB 4.38Å; V108-I202 HydrophobicContact CG2-CD1 4.11Å; V108-I202 HydrophobicContact CG2-CG1 3.87Å; V108-I202 HydrophobicContact CG2-CG2 3.76Å; I142-I202 HydrophobicContact CD1-CG1 3.58Å; L198-I202 HydrophobicContact CD1-CD1 4.17Å; L198-I202 HydrophobicContact CD1-CG1 4.33Å; L198-I202 HydrophobicContact CG-CD1 3.98Å; L198-I202 HydrophobicContact CG-CG1 4.5Å; L198-I202 VanDerWaalsContact O-CG1 3.3Å; L198-I202 WeakPolarHBondContact O-CG1 3.46Å; L198-I202 PolarHBondContact O-N 3.45Å; M199-I202 PolarHBondContact O-N 2.92Å; M199-I202 HydrophobicContact SD-CD1 4.39Å; D200-I202 VanDerWaalsContact C-N 3.33Å; D200-I202 PolarHBondContact O-N 3.45Å; I202-L205 PolarHBondContact O-N 3.19Å; I202-L206 HydrophobicContact CG2-CD1 3.95Å; I202-L206 HydrophobicContact CG2-CG 4.27Å; I202-L206 WeakPolarHBondContact O-CB 3.39Å; I202-L206 VanDerWaalsContact O-CG 3.3Å; I202-L206 WeakPolarHBondContact O-CG 3.42Å; I202-L206 PolarHBondContact O-N 3.5Å
203	E	97.1	Very high	97.5	Very high	116 Å²	116	60.2 Å²	60.2	54%	0.542	31%	0.31	S	S	.	.	H	α-helix	trans	-61.3	-47.7	176.5	-173.2	168.3	-167.8	0	0	110.8	M199 D200 L205 L206 M207	M199-E203 PolarHBondContact O-N 3.17Å; D200-E203 PolarHBondContact O-N 2.77Å; E203-L205 PolarHBondContact O-N 3.14Å; E203-L206 PolarHBondContact O-N 3.23Å; E203-M207 HydrophobicContact CG-SD 4.37Å; E203-M207 WeakPolarHBondContact O-CG 3.32Å; E203-M207 PolarHBondContact O-N 2.96Å
204	D	98.1	Very high	97.5	Very high	110 Å²	110	56.2 Å²	56.2	59%	0.588	29%	0.288	S	S	*	.	H	α-helix	trans	-58.9	-46.2	175.9	-74.6	-17.2	0	0	0	112.3	D200 L206 M207 E208	D200-D204 PolarHBondContact O-N 3.03Å; D204-L206 VanDerWaalsContact C-N 3.34Å; D204-L206 PolarHBondContact O-N 3.12Å; D204-M207 PolarHBondContact O-N 3.28Å; D204-E208 PolarHBondContact O-N 3.43Å
205	L	98.1	Very high	97.5	Very high	2 Å²	2	59 Å²	59	1%	0.01	31%	0.306	C	S	.	.	H	α-helix	trans	-58.6	-46.8	175.4	169.9	61.8	0	0	0	111	V108 G139 I142 C201 I202 E203 M207 E208 K209	V108-L205 HydrophobicContact CG2-CD2 4.26Å; G139-L205 WeakPolarHBondContact O-CD1 3.34Å; I142-L205 HydrophobicContact CD1-CD2 4.28Å; I142-L205 HydrophobicContact CG1-CD2 4.26Å; C201-L205 WeakPolarHBondContact O-CB 3.32Å; C201-L205 PolarHBondContact O-N 2.89Å; C201-L205 VanDerWaalsContact O-N 3.09Å; I202-L205 PolarHBondContact O-N 3.19Å; E203-L205 PolarHBondContact O-N 3.14Å; L205-M207 VanDerWaalsContact C-N 3.33Å; L205-M207 PolarHBondContact O-N 2.83Å; L205-E208 WeakPolarHBondContact O-CB 3.18Å; L205-E208 PolarHBondContact O-N 3.23Å; L205-K209 HydrophobicContact CD1-CG 4.07Å; L205-K209 WeakPolarHBondContact O-CG 3.49Å; L205-K209 PolarHBondContact O-N 2.87Å
206	L	96.7	Very high	97.4	Very high	10 Å²	10	59.8 Å²	59.8	5%	0.052	31%	0.31	C	S	.	.	H	α-helix	trans	-70.8	-30	-178.7	-70.2	-178.9	0	0	0	112.2	L23 H107 I202 E203 D204 K209 N210 G211	L23-L206 HydrophobicContact CD1-CD1 3.76Å; H107-L206 HydrophobicContact CB-CD2 4.15Å; I202-L206 HydrophobicContact CG2-CD1 3.95Å; I202-L206 HydrophobicContact CG2-CG 4.27Å; I202-L206 WeakPolarHBondContact O-CB 3.39Å; I202-L206 VanDerWaalsContact O-CG 3.3Å; I202-L206 WeakPolarHBondContact O-CG 3.42Å; I202-L206 PolarHBondContact O-N 3.5Å; E203-L206 PolarHBondContact O-N 3.23Å; D204-L206 VanDerWaalsContact C-N 3.34Å; D204-L206 PolarHBondContact O-N 3.12Å; L206-K209 CarbonylContact O-C 3.59Å; L206-K209 PolarHBondContact O-N 3.47Å; L206-N210 CarbonylContact O-C 3.4Å; L206-N210 PolarHBondContact O-N 3.46Å; L206-G211 PolarHBondContact O-N 2.9Å
207	M	96.5	Very high	97.3	Very high	130 Å²	130	57.5 Å²	57.5	64%	0.64	31%	0.314	S	S	*	.	H	α-helix	trans	-62.8	-45.2	169.7	-74	178	62.7	0	0	111.2	E203 D204 L205 K209 N210	E203-M207 HydrophobicContact CG-SD 4.37Å; E203-M207 WeakPolarHBondContact O-CG 3.32Å; E203-M207 PolarHBondContact O-N 2.96Å; D204-M207 PolarHBondContact O-N 3.28Å; L205-M207 VanDerWaalsContact C-N 3.33Å; L205-M207 PolarHBondContact O-N 2.83Å; M207-K209 PolarHBondContact O-N 3.29Å; M207-N210 PolarHBondContact O-N 3.33Å; M207-N210 VanDerWaalsContact O-N 3.14Å
208	E	97.1	Very high	97.3	Very high	115 Å²	115	54 Å²	54	54%	0.537	30%	0.298	S	S	.	.	H	α-helix	trans	-59	-35.7	174.6	-167.4	-157.4	124.3	0	0	111.9	D204 L205	D204-E208 PolarHBondContact O-N 3.43Å; L205-E208 WeakPolarHBondContact O-CB 3.18Å; L205-E208 PolarHBondContact O-N 3.23Å
209	K	96.9	Very high	97.2	Very high	51 Å²	51	54 Å²	54	22%	0.222	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	9.7	179.4	-57.5	-52.6	-174.9	-149.6	0	114.3	G139 L205 L206 M207 G211 D212	G139-K209 WeakPolarHBondContact O-CE 3.33Å; L205-K209 HydrophobicContact CD1-CG 4.07Å; L205-K209 WeakPolarHBondContact O-CG 3.49Å; L205-K209 PolarHBondContact O-N 2.87Å; L206-K209 CarbonylContact O-C 3.59Å; L206-K209 PolarHBondContact O-N 3.47Å; M207-K209 PolarHBondContact O-N 3.29Å; K209-G211 PolarHBondContact O-N 2.87Å; K209-G211 VanDerWaalsContact O-N 3.15Å; K209-D212 VanDerWaalsContact O-CB 3.25Å; K209-D212 WeakPolarHBondContact O-CB 3.43Å; K209-D212 PolarHBondContact O-N 2.96Å
210	N	95.4	Very high	97	Very high	143 Å²	143	55.5 Å²	55.5	77%	0.765	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	30	-176.4	-54.8	-67.5	0	0	0	114.5	L206 M207 D212	L206-N210 CarbonylContact O-C 3.4Å; L206-N210 PolarHBondContact O-N 3.46Å; M207-N210 PolarHBondContact O-N 3.33Å; M207-N210 VanDerWaalsContact O-N 3.14Å; N210-D212 VanDerWaalsContact C-N 3.29Å
211	G	94.2	Very high	96.8	Very high	40 Å²	40	53 Å²	53	41%	0.412	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.1	-2.3	-177	0	0	0	0	0	114.7	L206 K209	L206-G211 PolarHBondContact O-N 2.9Å; K209-G211 PolarHBondContact O-N 2.87Å; K209-G211 VanDerWaalsContact O-N 3.15Å
212	D	96.5	Very high	96.5	Very high	105 Å²	105	52.4 Å²	52.4	56%	0.561	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-67.4	143	-176	-70	-28.3	0	0	0	112.1	H140 K209 N210	H140-D212 PolarHBondContact CE1-O 3.37Å; K209-D212 VanDerWaalsContact O-CB 3.25Å; K209-D212 WeakPolarHBondContact O-CB 3.43Å; K209-D212 PolarHBondContact O-N 2.96Å; N210-D212 VanDerWaalsContact C-N 3.29Å
213	H	97.6	Very high	95.9	Very high	56 Å²	56	56.2 Å²	56.2	26%	0.259	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-87.1	154.4	167.8	63.6	76.7	0	0	0	110.2	R24 P104	R24-H213 PolarHBondContact NH2-CD2 2.86Å; P104-H213 VanDerWaalsContact CG-NE2 3.34Å; P104-H213 WeakPolarHBondContact CG-NE2 3.38Å; P104-H213 PolarHBondContact O-CE1 3.07Å
214	Y	98.3	Very high	95.4	Very high	15 Å²	15	58.7 Å²	58.7	6%	0.059	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-60.6	145.4	169.8	-179.6	-113.7	0	0	0	110.5	G105 P106 F133 D136 A137 H140 N216 Y219	G105-Y214 VanDerWaalsContact CA-O 3.27Å; G105-Y214 WeakPolarHBondContact CA-O 3.48Å; P106-Y214 HydrophobicContact CG-CD1 4.25Å; P106-Y214 WeakPolarHBondContact O-CB 3.46Å; P106-Y214 PolarHBondContact O-N 3.37Å; F133-Y214 HydrophobicContact CB-CE1 4.32Å; F133-Y214 VanDerWaalsContact O-CE1 3.32Å; F133-Y214 WeakPolarHBondContact O-CE1 3.16Å; F133-Y214 PolarHBondContact O-OH 3.04Å; D136-Y214 HydrophobicContact CB-CE2 4.18Å; A137-Y214 HydrophobicContact CB-CD1 4.37Å; A137-Y214 HydrophobicContact CB-CE1 3.84Å; A137-Y214 HydrophobicContact CB-CE2 4.26Å; H140-Y214 AromaticContact CD2-CD2 3.9Å; Y214-N216 HydrophobicContact CE1-CB 4.49Å; Y214-Y219 HydrophobicContact CD1-CE2 4.45Å
215	T	97.9	Very high	94.5	Very high	66 Å²	66	54.9 Å²	54.9	41%	0.405	30%	0.296	S	S	.	.			trans	-148.8	160.6	173.3	-168.2	0	0	0	0	110.5
216	N	97.6	Very high	93.3	Very high	17 Å²	17	61.5 Å²	61.5	9%	0.091	33%	0.325	C	S	.	.			trans	-152.6	178.7	173.7	74.9	9.5	0	0	0	109.8	Y99 F133 Y214 L218 Y219 S220 Y246	Y99-N216 PolarHBondContact OH-ND2 3.36Å; F133-N216 PolarHBondContact O-ND2 3.32Å; Y214-N216 HydrophobicContact CE1-CB 4.49Å; N216-L218 PolarHBondContact O-N 2.88Å; N216-L218 VanDerWaalsContact O-N 3.1Å; N216-L218 WeakPolarHBondContact OD1-CA 3.48Å; N216-L218 WeakPolarHBondContact OD1-CB 3.42Å; N216-L218 PolarHBondContact OD1-N 2.88Å; N216-Y219 PolarHBondContact O-N 3.49Å; N216-Y219 VanDerWaalsContact O-N 3.09Å; N216-Y219 PolarHBondContact OD1-N 3.41Å; N216-Y219 VanDerWaalsContact OD1-N 3.14Å; N216-S220 PolarHBondContact O-N 3.33Å; N216-S220 VanDerWaalsContact O-N 3.11Å; N216-S220 PolarHBondContact O-OG 2.91Å; N216-Y246 PolarHBondContact ND2-OH 2.96Å; N216-Y246 VanDerWaalsContact ND2-OH 3.1Å
217	G	96.4	Very high	91.7	Very high	51 Å²	51	67 Å²	67	53%	0.526	36%	0.363	S	S	.	.	H	α-helix	trans	-57.6	-27.1	-178.4	0	0	0	0	0	115.1	L221	G217-L221 WeakPolarHBondContact O-CB 3.44Å; G217-L221 PolarHBondContact O-N 3.46Å
218	L	97.1	Very high	90.1	Very high	5 Å²	5	62.3 Å²	62.3	3%	0.026	35%	0.348	C	S	.	.	H	α-helix	trans	-76	-37.1	177.5	-62.4	174.5	0	0	0	112	Y99 N216 L221 I222 F239 L243 Y246	Y99-L218 HydrophobicContact CD1-CB 4.02Å; Y99-L218 HydrophobicContact CE1-CB 3.62Å; Y99-L218 HydrophobicContact CE1-CD1 4.28Å; Y99-L218 HydrophobicContact CE2-CD1 4.32Å; N216-L218 PolarHBondContact O-N 2.88Å; N216-L218 VanDerWaalsContact O-N 3.1Å; N216-L218 WeakPolarHBondContact OD1-CA 3.48Å; N216-L218 WeakPolarHBondContact OD1-CB 3.42Å; N216-L218 PolarHBondContact OD1-N 2.88Å; L218-L221 WeakPolarHBondContact O-CB 3.46Å; L218-L221 PolarHBondContact O-N 3.45Å; L218-I222 PolarHBondContact O-N 2.89Å; L218-I222 VanDerWaalsContact O-N 3.1Å; L218-F239 HydrophobicContact CB-CE2 4Å; L218-F239 HydrophobicContact CB-CZ 4.25Å; L218-F239 HydrophobicContact CD2-CE2 4.4Å; L218-L243 HydrophobicContact CD1-CB 4.47Å; L218-L243 HydrophobicContact CD1-CD1 3.73Å; L218-Y246 HydrophobicContact CD1-CD1 3.83Å; L218-Y246 HydrophobicContact CD1-CD2 4.48Å; L218-Y246 HydrophobicContact CD1-CE1 4.4Å; L218-Y246 HydrophobicContact CD1-CG 3.87Å; L218-Y246 HydrophobicContact CG-CD2 4.48Å; L218-Y246 HydrophobicContact CG-CG 4.28Å
219	Y	97	Very high	88.4	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-63.9	-43.1	170.4	-78.1	-64.6	0	0	0	111.4	Y99 S102 A103 P104 P106 Y214 N216 L221 I222 Q223	Y99-Y219 AromaticContact CD1-CD1 3.65Å; Y99-Y219 HydrophobicContact CD1-CD1 3.65Å; Y99-Y219 AromaticContact CD1-CD2 3.87Å; Y99-Y219 HydrophobicContact CD1-CD2 3.87Å; Y99-Y219 AromaticContact CD1-CE1 3.44Å; Y99-Y219 HydrophobicContact CD1-CE1 3.44Å; Y99-Y219 VanDerWaalsContact CD1-CE1 3.44Å; Y99-Y219 AromaticContact CD1-CE2 3.67Å; Y99-Y219 HydrophobicContact CD1-CE2 3.67Å; Y99-Y219 AromaticContact CD1-CG 3.84Å; Y99-Y219 HydrophobicContact CD1-CG 3.84Å; Y99-Y219 AromaticContact CD1-CZ 3.43Å; Y99-Y219 VanDerWaalsContact CD1-CZ 3.43Å; Y99-Y219 HydrophobicContact CE1-CD1 4.2Å; Y99-Y219 AromaticContact CE1-CD2 3.53Å; Y99-Y219 HydrophobicContact CE1-CD2 3.53Å; Y99-Y219 HydrophobicContact CE1-CE1 4.03Å; Y99-Y219 AromaticContact CE1-CE2 3.33Å; Y99-Y219 HydrophobicContact CE1-CE2 3.33Å; Y99-Y219 AromaticContact CE1-CG 3.96Å; Y99-Y219 HydrophobicContact CE1-CG 3.96Å; Y99-Y219 AromaticContact CE1-CZ 3.58Å; Y99-Y219 HydrophobicContact CG-CE1 4.14Å; Y99-Y219 WeakPolarHBondContact O-CE1 3.18Å; S102-Y219 WeakPolarHBondContact OG-CE1 3.34Å; S102-Y219 PolarHBondContact OG-OH 3.3Å; A103-Y219 HydrophobicContact CB-CD1 4.43Å; P104-Y219 WeakPolarHBondContact O-CB 3.2Å; P106-Y219 WeakPolarHBondContact CD-OH 3.5Å; Y214-Y219 HydrophobicContact CD1-CE2 4.45Å; N216-Y219 PolarHBondContact O-N 3.49Å; N216-Y219 VanDerWaalsContact O-N 3.09Å; N216-Y219 PolarHBondContact OD1-N 3.41Å; N216-Y219 VanDerWaalsContact OD1-N 3.14Å; Y219-L221 VanDerWaalsContact C-N 3.27Å; Y219-L221 PolarHBondContact O-N 2.84Å; Y219-I222 PolarHBondContact O-N 3.32Å; Y219-Q223 WeakPolarHBondContact O-CG 3.08Å; Y219-Q223 PolarHBondContact O-N 2.87Å
220	S	94.2	Very high	86.8	Confident	47 Å²	47	64 Å²	64	33%	0.329	37%	0.373	S	S	.	.	H	α-helix	trans	-62.7	-34.1	174.9	-52.3	0	0	0	0	112.5	N216 R224	N216-S220 PolarHBondContact O-N 3.33Å; N216-S220 VanDerWaalsContact O-N 3.11Å; N216-S220 PolarHBondContact O-OG 2.91Å; S220-R224 WeakPolarHBondContact O-CG 3.46Å; S220-R224 PolarHBondContact O-N 3.47Å; S220-R224 VanDerWaalsContact O-N 3.12Å; S220-R224 PolarHBondContact O-NE 3.15Å
221	L	93.3	Very high	85.6	Confident	8 Å²	8	59.5 Å²	59.5	4%	0.042	36%	0.36	C	S	.	.	H	α-helix	trans	-61.9	-50.5	173	-177	63.2	0	0	0	110.8	G217 L218 Y219 Q223 R224 S225 E238 F239	G217-L221 WeakPolarHBondContact O-CB 3.44Å; G217-L221 PolarHBondContact O-N 3.46Å; L218-L221 WeakPolarHBondContact O-CB 3.46Å; L218-L221 PolarHBondContact O-N 3.45Å; Y219-L221 VanDerWaalsContact C-N 3.27Å; Y219-L221 PolarHBondContact O-N 2.84Å; L221-Q223 VanDerWaalsContact C-N 3.32Å; L221-Q223 PolarHBondContact O-N 2.98Å; L221-R224 PolarHBondContact O-N 3.22Å; L221-S225 PolarHBondContact O-N 3.27Å; L221-S225 PolarHBondContact O-OG 3.33Å; L221-E238 HydrophobicContact CD1-CG 4.36Å; L221-E238 WeakPolarHBondContact CD1-OE1 3.48Å; L221-E238 HydrophobicContact CD2-CG 4.41Å; L221-F239 HydrophobicContact CD2-CB 4.38Å; L221-F239 HydrophobicContact CD2-CD2 4.1Å
222	I	91.5	Very high	84.8	Confident	11 Å²	11	60.7 Å²	60.7	6%	0.056	36%	0.362	C	S	.	.	H	α-helix	trans	-58.2	-43.6	177.3	-74.6	171.7	0	0	0	112.1	Y99 L100 A103 L218 Y219 S225 K226 F239	Y99-I222 VanDerWaalsContact CB-CD1 3.44Å; Y99-I222 HydrophobicContact CD1-CD1 4.45Å; Y99-I222 HydrophobicContact CG-CD1 4.39Å; L100-I222 HydrophobicContact CD2-CD1 4.05Å; L100-I222 HydrophobicContact CD2-CG1 4.16Å; L100-I222 HydrophobicContact CD2-CG2 3.77Å; L100-I222 HydrophobicContact CG-CD1 4.09Å; A103-I222 HydrophobicContact CB-CG2 4Å; L218-I222 PolarHBondContact O-N 2.89Å; L218-I222 VanDerWaalsContact O-N 3.1Å; Y219-I222 PolarHBondContact O-N 3.32Å; I222-S225 PolarHBondContact O-N 3.07Å; I222-K226 PolarHBondContact O-N 2.91Å; I222-F239 HydrophobicContact CD1-CD2 4.14Å; I222-F239 HydrophobicContact CD1-CE2 3.54Å; I222-F239 HydrophobicContact CD1-CZ 4.25Å; I222-F239 HydrophobicContact CG1-CD2 3.88Å; I222-F239 HydrophobicContact CG1-CE2 3.72Å
223	Q	87	Confident	84.1	Confident	83 Å²	83	61.2 Å²	61.2	39%	0.388	36%	0.364	S	S	.	.	H	α-helix	trans	-62.3	-43.6	179.9	-72.7	176.9	-59.1	0	0	111.8	P104 Y219 L221 S225 K226	P104-Q223 HydrophobicContact CB-CG 4.49Å; Y219-Q223 WeakPolarHBondContact O-CG 3.08Å; Y219-Q223 PolarHBondContact O-N 2.87Å; L221-Q223 VanDerWaalsContact C-N 3.32Å; L221-Q223 PolarHBondContact O-N 2.98Å; Q223-S225 VanDerWaalsContact C-N 3.32Å; Q223-S225 PolarHBondContact O-N 3.09Å; Q223-K226 PolarHBondContact O-N 3.21Å
224	R	85.1	Confident	83.6	Confident	168 Å²	168	63.8 Å²	63.8	63%	0.634	38%	0.377	S	S	*	.	H	α-helix	trans	-64.1	-36.9	176.9	-73.2	-177.6	-67.6	143.9	-2.8	112.2	S220 L221 K226	S220-R224 WeakPolarHBondContact O-CG 3.46Å; S220-R224 PolarHBondContact O-N 3.47Å; S220-R224 VanDerWaalsContact O-N 3.12Å; S220-R224 PolarHBondContact O-NE 3.15Å; L221-R224 PolarHBondContact O-N 3.22Å; R224-K226 VanDerWaalsContact C-N 3.26Å; R224-K226 PolarHBondContact O-N 3.37Å
225	S	79.5	Confident	82.9	Confident	30 Å²	30	67.3 Å²	67.3	21%	0.21	39%	0.39	C	S	.	.	H	α-helix	trans	-73.3	-11.5	-178.9	-51	0	0	0	0	114.5	L221 I222 Q223 C227	L221-S225 PolarHBondContact O-N 3.27Å; L221-S225 PolarHBondContact O-OG 3.33Å; I222-S225 PolarHBondContact O-N 3.07Å; Q223-S225 VanDerWaalsContact C-N 3.32Å; Q223-S225 PolarHBondContact O-N 3.09Å; S225-C227 VanDerWaalsContact C-N 3.26Å; S225-C227 PolarHBondContact O-N 3.44Å
226	K	73.4	Confident	82.4	Confident	141 Å²	141	67.5 Å²	67.5	61%	0.613	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-25.7	178.1	-71.5	-178.4	-178.7	-176	0	113.6	I222 Q223 R224	I222-K226 PolarHBondContact O-N 2.91Å; Q223-K226 PolarHBondContact O-N 3.21Å; R224-K226 VanDerWaalsContact C-N 3.26Å; R224-K226 PolarHBondContact O-N 3.37Å
227	C	63.1	Low	82.1	Confident	126 Å²	126	72.5 Å²	72.5	85%	0.851	41%	0.412	S	S	*	.	S	Bend	trans	-116.8	3.1	-172.9	-61	0	0	0	0	114.1	S225	S225-C227 VanDerWaalsContact C-N 3.26Å; S225-C227 PolarHBondContact O-N 3.44Å
228	G	63.1	Low	82	Confident	31 Å²	31	73.7 Å²	73.7	32%	0.32	40%	0.404	S	S	.	.	S	Bend	trans	-91.2	153.3	-174.8	0	0	0	0	0	114.3	V230	G228-V230 PolarHBondContact O-N 2.93Å; G228-V230 VanDerWaalsContact O-N 3.15Å
229	P	60.9	Low	81.8	Confident	141 Å²	141	73.7 Å²	73.7	92%	0.916	40%	0.403	S	S	*	.			trans	-73	1.7	176.7	31.5	-36	0	0	0	114
230	V	63.4	Low	81.8	Confident	61 Å²	61	76.4 Å²	76.4	37%	0.37	42%	0.415	S	S	.	.			trans	-67.9	130	-175.1	-177.4	0	0	0	0	110.2	G228 E234 R235	G228-V230 PolarHBondContact O-N 2.93Å; G228-V230 VanDerWaalsContact O-N 3.15Å; V230-E234 HydrophobicContact CG1-CB 3.69Å; V230-E234 HydrophobicContact CG1-CG 4.01Å; V230-R235 HydrophobicContact CB-CG 4.15Å; V230-R235 HydrophobicContact CG1-CG 3.84Å; V230-R235 PolarHBondContact O-NH1 3.2Å
231	G	69.6	Low	81.8	Confident	47 Å²	47	80.9 Å²	80.9	49%	0.485	43%	0.431	S	S	.	.			trans	-59.3	158	178.3	0	0	0	0	0	113.9	D233 E234 R235	G231-D233 VanDerWaalsContact C-N 3.26Å; G231-D233 PolarHBondContact O-N 2.93Å; G231-E234 PolarHBondContact O-N 3.48Å; G231-R235 WeakPolarHBondContact O-CG 3.37Å; G231-R235 PolarHBondContact O-N 3.27Å
232	S	78.2	Confident	82	Confident	65 Å²	65	82.5 Å²	82.5	46%	0.455	44%	0.443	S	S	.	.	H	α-helix	trans	-54.2	-41.9	-178.4	50.9	0	0	0	0	113.5	R235 V236	S232-R235 PolarHBondContact O-N 3.02Å; S232-V236 WeakPolarHBondContact O-CG2 3.47Å; S232-V236 PolarHBondContact O-N 3.11Å
233	D	82.5	Confident	82.2	Confident	116 Å²	116	82 Å²	82	62%	0.62	44%	0.44	S	S	*	.	H	α-helix	trans	-73	-36.5	-171.6	-62.8	-2.4	0	0	0	111.5	G231 V236 K237	G231-D233 VanDerWaalsContact C-N 3.26Å; G231-D233 PolarHBondContact O-N 2.93Å; D233-V236 PolarHBondContact O-N 3.48Å; D233-K237 WeakPolarHBondContact O-CG 3.41Å; D233-K237 PolarHBondContact O-N 3.04Å
234	E	85.8	Confident	82.7	Confident	110 Å²	110	80.3 Å²	80.3	51%	0.514	43%	0.434	S	S	.	.	H	α-helix	trans	-69.3	-38.9	178.2	-160.6	66.3	-170.6	0	0	111	V230 G231 V236 K237 E238	V230-E234 HydrophobicContact CG1-CB 3.69Å; V230-E234 HydrophobicContact CG1-CG 4.01Å; G231-E234 PolarHBondContact O-N 3.48Å; E234-V236 VanDerWaalsContact C-N 3.31Å; E234-V236 PolarHBondContact O-N 2.71Å; E234-K237 PolarHBondContact O-N 3.08Å; E234-E238 WeakPolarHBondContact O-CB 3.4Å; E234-E238 PolarHBondContact O-N 3.1Å
235	R	84.3	Confident	83.3	Confident	90 Å²	90	79.4 Å²	79.4	34%	0.34	43%	0.434	S	S	.	.	H	α-helix	trans	-61.3	-39	173.3	-65.5	-174.3	-61.2	-118.5	12	112.5	V230 G231 S232 F239	V230-R235 HydrophobicContact CB-CG 4.15Å; V230-R235 HydrophobicContact CG1-CG 3.84Å; V230-R235 PolarHBondContact O-NH1 3.2Å; G231-R235 WeakPolarHBondContact O-CG 3.37Å; G231-R235 PolarHBondContact O-N 3.27Å; S232-R235 PolarHBondContact O-N 3.02Å; R235-F239 WeakPolarHBondContact O-CB 3.41Å; R235-F239 PolarHBondContact O-N 3.08Å
236	V	87	Confident	84.1	Confident	69 Å²	69	80 Å²	80	42%	0.418	43%	0.432	S	S	.	.	H	α-helix	trans	-66.1	-43.5	177	170.9	0	0	0	0	110.7	S232 D233 E234 K240	S232-V236 WeakPolarHBondContact O-CG2 3.47Å; S232-V236 PolarHBondContact O-N 3.11Å; D233-V236 PolarHBondContact O-N 3.48Å; E234-V236 VanDerWaalsContact C-N 3.31Å; E234-V236 PolarHBondContact O-N 2.71Å; V236-K240 WeakPolarHBondContact O-CB 3.3Å; V236-K240 PolarHBondContact O-N 3.33Å
237	K	92	Very high	85.2	Confident	123 Å²	123	73.3 Å²	73.3	54%	0.535	40%	0.403	S	S	.	.	H	α-helix	trans	-64	-46.5	176	-71.3	176	-174.7	171.3	0	112.4	D233 E234 K240 Q241	D233-K237 WeakPolarHBondContact O-CG 3.41Å; D233-K237 PolarHBondContact O-N 3.04Å; E234-K237 PolarHBondContact O-N 3.08Å; K237-K240 PolarHBondContact O-N 3Å; K237-Q241 WeakPolarHBondContact O-CG 3.24Å; K237-Q241 PolarHBondContact O-N 2.95Å
238	E	93.2	Very high	86.7	Confident	76 Å²	76	72.3 Å²	72.3	36%	0.355	39%	0.386	S	S	.	.	H	α-helix	trans	-60.8	-46.3	179.4	-174.8	-174.6	-169.5	0	0	111.4	L221 E234 Q241 S242	L221-E238 HydrophobicContact CD1-CG 4.36Å; L221-E238 WeakPolarHBondContact CD1-OE1 3.48Å; L221-E238 HydrophobicContact CD2-CG 4.41Å; E234-E238 WeakPolarHBondContact O-CB 3.4Å; E234-E238 PolarHBondContact O-N 3.1Å; E238-Q241 PolarHBondContact O-N 3.48Å; E238-S242 WeakPolarHBondContact O-CB 3.33Å; E238-S242 PolarHBondContact O-N 2.62Å; E238-S242 PolarHBondContact O-OG 3.03Å
239	F	94.5	Very high	88.3	Confident	4 Å²	4	73.2 Å²	73.2	2%	0.018	39%	0.385	C	S	.	.	H	α-helix	trans	-61.8	-45.9	176.6	-172.8	-83.6	0	0	0	111.3	Q96 Y99 L218 L221 I222 R235 Q241 S242 L243	Q96-F239 HydrophobicContact CB-CD1 3.49Å; Q96-F239 VanDerWaalsContact CB-CD1 3.49Å; Q96-F239 HydrophobicContact CB-CE1 3.49Å; Q96-F239 VanDerWaalsContact CB-CE1 3.49Å; Q96-F239 HydrophobicContact CB-CG 4.36Å; Q96-F239 HydrophobicContact CB-CZ 4.35Å; Q96-F239 HydrophobicContact CG-CB 4.37Å; Q96-F239 HydrophobicContact CG-CD1 3.43Å; Q96-F239 VanDerWaalsContact CG-CD1 3.43Å; Q96-F239 HydrophobicContact CG-CD2 4.39Å; Q96-F239 HydrophobicContact CG-CE1 3.75Å; Q96-F239 HydrophobicContact CG-CG 3.79Å; Q96-F239 HydrophobicContact CG-CZ 4.35Å; Y99-F239 HydrophobicContact CD1-CZ 4.28Å; Y99-F239 AromaticContact CD2-CZ 4Å; Y99-F239 HydrophobicContact CD2-CZ 4Å; Y99-F239 HydrophobicContact CG-CE2 4.38Å; Y99-F239 AromaticContact CG-CZ 3.78Å; Y99-F239 HydrophobicContact CG-CZ 3.78Å; L218-F239 HydrophobicContact CB-CE2 4Å; L218-F239 HydrophobicContact CB-CZ 4.25Å; L218-F239 HydrophobicContact CD2-CE2 4.4Å; L221-F239 HydrophobicContact CD2-CB 4.38Å; L221-F239 HydrophobicContact CD2-CD2 4.1Å; I222-F239 HydrophobicContact CD1-CD2 4.14Å; I222-F239 HydrophobicContact CD1-CE2 3.54Å; I222-F239 HydrophobicContact CD1-CZ 4.25Å; I222-F239 HydrophobicContact CG1-CD2 3.88Å; I222-F239 HydrophobicContact CG1-CE2 3.72Å; R235-F239 WeakPolarHBondContact O-CB 3.41Å; R235-F239 PolarHBondContact O-N 3.08Å; F239-Q241 PolarHBondContact O-N 3Å; F239-S242 PolarHBondContact O-N 3.44Å; F239-L243 HydrophobicContact CD1-CB 4.39Å; F239-L243 HydrophobicContact CE1-CB 4.18Å; F239-L243 HydrophobicContact CE1-CD2 4.12Å; F239-L243 VanDerWaalsContact O-CB 3.27Å; F239-L243 WeakPolarHBondContact O-CB 3.37Å; F239-L243 PolarHBondContact O-N 2.91Å
240	K	95.2	Very high	89.9	Confident	57 Å²	57	67.4 Å²	67.4	25%	0.248	35%	0.346	C	S	.	.	H	α-helix	trans	-58.8	-47.8	178.5	178.6	-177.1	172.5	-174	0	111.9	E89 Y92 V236 K237 S242 L243 I244	E89-K240 WeakPolarHBondContact OE1-CE 3.35Å; E89-K240 IonicContact OE1-NZ 3.73Å; E89-K240 PolarHBondContact OE1-NZ 2.8Å; E89-K240 WeakPolarHBondContact OE2-CE 3.23Å; E89-K240 IonicContact OE2-NZ 2.62Å; E89-K240 PolarHBondContact OE2-NZ 3.39Å; Y92-K240 HydrophobicContact CG-CG 4.41Å; V236-K240 WeakPolarHBondContact O-CB 3.3Å; V236-K240 PolarHBondContact O-N 3.33Å; K237-K240 PolarHBondContact O-N 3Å; K240-S242 VanDerWaalsContact C-N 3.34Å; K240-S242 PolarHBondContact O-N 3.42Å; K240-L243 PolarHBondContact O-N 2.88Å; K240-I244 HydrophobicContact CG-CD1 4.06Å; K240-I244 WeakPolarHBondContact O-CG1 3.42Å; K240-I244 PolarHBondContact O-N 2.96Å
241	Q	96	Very high	91.4	Very high	141 Å²	141	68.7 Å²	68.7	66%	0.659	34%	0.344	S	S	*	.	H	α-helix	trans	-62.1	-43.3	178.2	-73.1	176.3	-10.7	0	0	111.6	K237 E238 F239 L243 I244 K245	K237-Q241 WeakPolarHBondContact O-CG 3.24Å; K237-Q241 PolarHBondContact O-N 2.95Å; E238-Q241 PolarHBondContact O-N 3.48Å; F239-Q241 PolarHBondContact O-N 3Å; Q241-L243 VanDerWaalsContact C-N 3.34Å; Q241-L243 PolarHBondContact O-N 2.92Å; Q241-I244 PolarHBondContact O-N 3Å; Q241-K245 PolarHBondContact O-N 2.84Å
242	S	96.7	Very high	92.5	Very high	43 Å²	43	70 Å²	70	30%	0.301	35%	0.346	S	S	.	.	H	α-helix	trans	-63.4	-40.6	176.7	-60.4	0	0	0	0	111.9	E238 F239 K240 Y246	E238-S242 WeakPolarHBondContact O-CB 3.33Å; E238-S242 PolarHBondContact O-N 2.62Å; E238-S242 PolarHBondContact O-OG 3.03Å; F239-S242 PolarHBondContact O-N 3.44Å; K240-S242 VanDerWaalsContact C-N 3.34Å; K240-S242 PolarHBondContact O-N 3.42Å; S242-Y246 VanDerWaalsContact O-CB 3.23Å; S242-Y246 WeakPolarHBondContact O-CB 3.19Å; S242-Y246 PolarHBondContact O-N 2.87Å
243	L	96.5	Very high	93	Very high	0 Å²	0	73.4 Å²	73.4	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-64.2	-46.2	177.5	173.9	63.2	0	0	0	111.8	Y92 V95 L218 F239 K240 Q241 K245 Y246 M247	Y92-L243 HydrophobicContact CD1-CD2 3.75Å; Y92-L243 HydrophobicContact CD1-CG 4.26Å; Y92-L243 HydrophobicContact CG-CD2 4.5Å; V95-L243 HydrophobicContact CB-CD2 3.71Å; V95-L243 HydrophobicContact CG1-CD1 3.68Å; V95-L243 HydrophobicContact CG1-CD2 3.51Å; V95-L243 HydrophobicContact CG1-CG 4.26Å; V95-L243 HydrophobicContact CG2-CD2 4.49Å; L218-L243 HydrophobicContact CD1-CB 4.47Å; L218-L243 HydrophobicContact CD1-CD1 3.73Å; F239-L243 HydrophobicContact CD1-CB 4.39Å; F239-L243 HydrophobicContact CE1-CB 4.18Å; F239-L243 HydrophobicContact CE1-CD2 4.12Å; F239-L243 VanDerWaalsContact O-CB 3.27Å; F239-L243 WeakPolarHBondContact O-CB 3.37Å; F239-L243 PolarHBondContact O-N 2.91Å; K240-L243 PolarHBondContact O-N 2.88Å; Q241-L243 VanDerWaalsContact C-N 3.34Å; Q241-L243 PolarHBondContact O-N 2.92Å; L243-K245 PolarHBondContact O-N 2.88Å; L243-Y246 WeakPolarHBondContact O-CB 3.45Å; L243-Y246 PolarHBondContact O-N 3.19Å; L243-M247 HydrophobicContact CD1-CG 3.84Å; L243-M247 HydrophobicContact CD1-SD 3.73Å; L243-M247 HydrophobicContact CD2-SD 4.4Å; L243-M247 HydrophobicContact CG-CG 4.35Å; L243-M247 HydrophobicContact CG-SD 3.8Å; L243-M247 VanDerWaalsContact O-CG 3.28Å; L243-M247 WeakPolarHBondContact O-CG 3.45Å; L243-M247 PolarHBondContact O-N 3.27Å
244	I	96.3	Very high	93.4	Very high	48 Å²	48	68.9 Å²	68.9	25%	0.246	33%	0.326	C	S	.	.	H	α-helix	trans	-57.5	-50.7	177.8	-69.3	165.9	0	0	0	110.1	Y92 K240 Q241 Y246 M247 E248	Y92-I244 HydrophobicContact CD1-CG1 4.17Å; Y92-I244 HydrophobicContact CE1-CD1 4.48Å; Y92-I244 HydrophobicContact CE1-CG1 3.62Å; Y92-I244 HydrophobicContact CE2-CD1 4.25Å; Y92-I244 HydrophobicContact CE2-CG1 4.24Å; K240-I244 HydrophobicContact CG-CD1 4.06Å; K240-I244 WeakPolarHBondContact O-CG1 3.42Å; K240-I244 PolarHBondContact O-N 2.96Å; Q241-I244 PolarHBondContact O-N 3Å; I244-Y246 VanDerWaalsContact C-N 3.31Å; I244-Y246 PolarHBondContact O-N 3.46Å; I244-M247 PolarHBondContact O-N 2.85Å; I244-E248 WeakPolarHBondContact O-CG 3.33Å; I244-E248 PolarHBondContact O-N 3.5Å
245	K	97.1	Very high	93.6	Very high	148 Å²	148	66.2 Å²	66.2	64%	0.643	32%	0.323	S	S	*	.	H	α-helix	trans	-61	-40.1	177.7	-174.8	177.6	180	179.4	0	112.1	Q241 L243 T249	Q241-K245 PolarHBondContact O-N 2.84Å; L243-K245 PolarHBondContact O-N 2.88Å; K245-T249 WeakPolarHBondContact O-CB 3.23Å; K245-T249 PolarHBondContact O-N 2.91Å; K245-T249 PolarHBondContact O-OG1 3.17Å
246	Y	97.4	Very high	93.8	Very high	42 Å²	42	66.5 Å²	66.5	17%	0.165	33%	0.331	C	S	.	.	H	α-helix	trans	-61.8	-51.5	177.6	-174.9	-95.7	0	0	0	111.2	I132 F133 G134 N216 L218 S242 L243 I244 E248 T249 Q250	I132-Y246 WeakPolarHBondContact O-CE1 3.35Å; F133-Y246 PolarHBondContact O-OH 2.89Å; G134-Y246 WeakPolarHBondContact CA-OH 3.45Å; G134-Y246 PolarHBondContact N-OH 2.96Å; N216-Y246 PolarHBondContact ND2-OH 2.96Å; N216-Y246 VanDerWaalsContact ND2-OH 3.1Å; L218-Y246 HydrophobicContact CD1-CD1 3.83Å; L218-Y246 HydrophobicContact CD1-CD2 4.48Å; L218-Y246 HydrophobicContact CD1-CE1 4.4Å; L218-Y246 HydrophobicContact CD1-CG 3.87Å; L218-Y246 HydrophobicContact CG-CD2 4.48Å; L218-Y246 HydrophobicContact CG-CG 4.28Å; S242-Y246 VanDerWaalsContact O-CB 3.23Å; S242-Y246 WeakPolarHBondContact O-CB 3.19Å; S242-Y246 PolarHBondContact O-N 2.87Å; L243-Y246 WeakPolarHBondContact O-CB 3.45Å; L243-Y246 PolarHBondContact O-N 3.19Å; I244-Y246 VanDerWaalsContact C-N 3.31Å; I244-Y246 PolarHBondContact O-N 3.46Å; Y246-E248 PolarHBondContact O-N 3.26Å; Y246-T249 WeakPolarHBondContact O-CB 3.44Å; Y246-T249 PolarHBondContact O-N 2.87Å; Y246-T249 VanDerWaalsContact O-N 3.12Å; Y246-Q250 HydrophobicContact CD1-CG 4.09Å; Y246-Q250 HydrophobicContact CE1-CG 3.79Å; Y246-Q250 WeakPolarHBondContact O-CG 3.5Å; Y246-Q250 PolarHBondContact O-N 2.86Å
247	M	95.9	Very high	93.9	Very high	1 Å²	1	66 Å²	66	1%	0.005	33%	0.334	C	S	.	.	H	α-helix	trans	-62.2	-40	179.3	-67.3	172.5	71.2	0	0	112.3	H87 L91 Y92 R128 E131 I132 L243 I244 T249 Q250 R251	H87-M247 WeakPolarHBondContact NE2-CE 3.44Å; L91-M247 HydrophobicContact CD2-CE 4.47Å; Y92-M247 HydrophobicContact CD1-SD 4.41Å; Y92-M247 HydrophobicContact CE1-SD 4.01Å; R128-M247 VanDerWaalsContact NH1-CE 3.35Å; E131-M247 WeakPolarHBondContact O-CG 3.25Å; I132-M247 HydrophobicContact CG1-CE 4.38Å; L243-M247 HydrophobicContact CD1-CG 3.84Å; L243-M247 HydrophobicContact CD1-SD 3.73Å; L243-M247 HydrophobicContact CD2-SD 4.4Å; L243-M247 HydrophobicContact CG-CG 4.35Å; L243-M247 HydrophobicContact CG-SD 3.8Å; L243-M247 VanDerWaalsContact O-CG 3.28Å; L243-M247 WeakPolarHBondContact O-CG 3.45Å; L243-M247 PolarHBondContact O-N 3.27Å; I244-M247 PolarHBondContact O-N 2.85Å; M247-T249 VanDerWaalsContact C-N 3.33Å; M247-T249 PolarHBondContact O-N 2.67Å; M247-Q250 PolarHBondContact O-N 3.39Å; M247-R251 WeakPolarHBondContact O-CG 3.42Å; M247-R251 PolarHBondContact O-N 3.04Å
248	E	95.3	Very high	93.7	Very high	106 Å²	106	66.4 Å²	66.4	50%	0.495	34%	0.338	S	S	.	.	H	α-helix	trans	-59.3	-43.6	172.7	-76.1	173.9	179.2	0	0	112.3	I244 Y246 R251 S252	I244-E248 WeakPolarHBondContact O-CG 3.33Å; I244-E248 PolarHBondContact O-N 3.5Å; Y246-E248 PolarHBondContact O-N 3.26Å; E248-R251 PolarHBondContact O-N 3.08Å; E248-S252 PolarHBondContact O-N 2.88Å
249	T	96.2	Very high	93.5	Very high	50 Å²	50	64.8 Å²	64.8	31%	0.307	34%	0.337	S	S	.	.	H	α-helix	trans	-62	-45.9	177.4	-55.8	0	0	0	0	110.9	K245 Y246 M247 R251 S252 Y253	K245-T249 WeakPolarHBondContact O-CB 3.23Å; K245-T249 PolarHBondContact O-N 2.91Å; K245-T249 PolarHBondContact O-OG1 3.17Å; Y246-T249 WeakPolarHBondContact O-CB 3.44Å; Y246-T249 PolarHBondContact O-N 2.87Å; Y246-T249 VanDerWaalsContact O-N 3.12Å; M247-T249 VanDerWaalsContact C-N 3.33Å; M247-T249 PolarHBondContact O-N 2.67Å; T249-R251 PolarHBondContact O-N 3.3Å; T249-S252 WeakPolarHBondContact O-CB 3.12Å; T249-S252 PolarHBondContact O-N 3.39Å; T249-Y253 HydrophobicContact CG2-CD2 4.18Å; T249-Y253 HydrophobicContact CG2-CE2 3.46Å; T249-Y253 VanDerWaalsContact CG2-CE2 3.46Å; T249-Y253 WeakPolarHBondContact O-CD2 3.33Å; T249-Y253 PolarHBondContact O-N 3.33Å; T249-Y253 VanDerWaalsContact O-N 3.1Å
250	Q	95.6	Very high	93.3	Very high	18 Å²	18	68.7 Å²	68.7	8%	0.084	36%	0.358	C	S	.	.	H	α-helix	trans	-61.8	-43.8	177.3	-61.7	-51.5	-43.4	0	0	112.1	E135 Y246 M247 S252 Y253 T254	E135-Q250 VanDerWaalsContact N-OE1 3.15Å; Y246-Q250 HydrophobicContact CD1-CG 4.09Å; Y246-Q250 HydrophobicContact CE1-CG 3.79Å; Y246-Q250 WeakPolarHBondContact O-CG 3.5Å; Y246-Q250 PolarHBondContact O-N 2.86Å; M247-Q250 PolarHBondContact O-N 3.39Å; Q250-S252 VanDerWaalsContact C-N 3.3Å; Q250-S252 PolarHBondContact O-N 3.49Å; Q250-Y253 PolarHBondContact O-N 2.9Å; Q250-T254 PolarHBondContact O-N 3.34Å; Q250-T254 VanDerWaalsContact O-N 3.09Å; Q250-T254 PolarHBondContact O-OG1 2.84Å
251	R	93.6	Very high	92.9	Very high	88 Å²	88	70 Å²	70	33%	0.332	37%	0.374	S	S	.	.	H	α-helix	trans	-59.4	-40.5	174.6	-74.9	-171.8	-63.5	-154.5	-1.3	112.4	H87 E131 M247 E248 T249 Y253 T254 A255	H87-R251 PolarHBondContact CE1-NH1 3.42Å; H87-R251 PolarHBondContact NE2-NH1 3.21Å; H87-R251 VanDerWaalsContact NE2-NH1 3.16Å; E131-R251 VanDerWaalsContact CD-CG 3.47Å; E131-R251 HydrophobicContact CG-CG 3.69Å; E131-R251 WeakPolarHBondContact OE1-CG 3.49Å; M247-R251 WeakPolarHBondContact O-CG 3.42Å; M247-R251 PolarHBondContact O-N 3.04Å; E248-R251 PolarHBondContact O-N 3.08Å; T249-R251 PolarHBondContact O-N 3.3Å; R251-Y253 VanDerWaalsContact C-N 3.33Å; R251-Y253 PolarHBondContact O-N 3.45Å; R251-T254 PolarHBondContact O-N 3.46Å; R251-A255 WeakPolarHBondContact O-CB 3.43Å; R251-A255 PolarHBondContact O-N 3.25Å
252	S	93.3	Very high	92.6	Very high	75 Å²	75	69.4 Å²	69.4	52%	0.524	38%	0.375	S	S	.	.	H	α-helix	trans	-62.3	-40.1	176.7	-172.8	0	0	0	0	111.9	E248 T249 Q250 L256	E248-S252 PolarHBondContact O-N 2.88Å; T249-S252 WeakPolarHBondContact O-CB 3.12Å; T249-S252 PolarHBondContact O-N 3.39Å; Q250-S252 VanDerWaalsContact C-N 3.3Å; Q250-S252 PolarHBondContact O-N 3.49Å; S252-L256 VanDerWaalsContact O-CB 3.26Å; S252-L256 WeakPolarHBondContact O-CB 3.4Å; S252-L256 PolarHBondContact O-N 2.85Å
253	Y	89.7	Confident	92.4	Very high	136 Å²	136	73.7 Å²	73.7	53%	0.533	39%	0.388	S	S	.	.	H	α-helix	trans	-65	-43.3	176.2	-66.3	-45	0	0	0	112.1	T249 Q250 R251 L256 A257	T249-Y253 HydrophobicContact CG2-CD2 4.18Å; T249-Y253 HydrophobicContact CG2-CE2 3.46Å; T249-Y253 VanDerWaalsContact CG2-CE2 3.46Å; T249-Y253 WeakPolarHBondContact O-CD2 3.33Å; T249-Y253 PolarHBondContact O-N 3.33Å; T249-Y253 VanDerWaalsContact O-N 3.1Å; Q250-Y253 PolarHBondContact O-N 2.9Å; R251-Y253 VanDerWaalsContact C-N 3.33Å; R251-Y253 PolarHBondContact O-N 3.45Å; Y253-L256 PolarHBondContact O-N 3.2Å; Y253-A257 WeakPolarHBondContact O-CB 3.39Å; Y253-A257 PolarHBondContact O-N 2.83Å
254	T	89.5	Confident	92.1	Very high	21 Å²	21	75.1 Å²	75.1	13%	0.129	40%	0.403	C	S	.	.	H	α-helix	trans	-62.4	-48.8	176	-51.8	0	0	0	0	111.5	Q127 Q250 R251 L256 A257 E258	Q127-T254 PolarHBondContact NE2-OG1 2.79Å; Q250-T254 PolarHBondContact O-N 3.34Å; Q250-T254 VanDerWaalsContact O-N 3.09Å; Q250-T254 PolarHBondContact O-OG1 2.84Å; R251-T254 PolarHBondContact O-N 3.46Å; T254-L256 VanDerWaalsContact C-N 3.29Å; T254-L256 PolarHBondContact O-N 2.89Å; T254-A257 PolarHBondContact O-N 3.47Å; T254-A257 VanDerWaalsContact O-N 3.15Å; T254-E258 HydrophobicContact CG2-CG 4.44Å; T254-E258 WeakPolarHBondContact O-CG 3.37Å; T254-E258 PolarHBondContact O-N 3.22Å
255	A	89.7	Confident	91.9	Very high	55 Å²	55	75.1 Å²	75.1	46%	0.455	41%	0.409	S	S	.	.	H	α-helix	trans	-60.6	-39.4	179	0	0	0	0	0	112.1	R251 A259	R251-A255 WeakPolarHBondContact O-CB 3.43Å; R251-A255 PolarHBondContact O-N 3.25Å; A255-A259 VanDerWaalsContact O-CB 3.28Å; A255-A259 WeakPolarHBondContact O-CB 3.46Å; A255-A259 PolarHBondContact O-N 2.87Å
256	L	89.6	Confident	91.7	Very high	96 Å²	96	72.9 Å²	72.9	50%	0.503	40%	0.404	S	S	.	.	H	α-helix	trans	-66	-42.5	175.3	-177.1	63.4	0	0	0	111.8	S252 Y253 T254 A259 N260	S252-L256 VanDerWaalsContact O-CB 3.26Å; S252-L256 WeakPolarHBondContact O-CB 3.4Å; S252-L256 PolarHBondContact O-N 2.85Å; Y253-L256 PolarHBondContact O-N 3.2Å; T254-L256 VanDerWaalsContact C-N 3.29Å; T254-L256 PolarHBondContact O-N 2.89Å; L256-A259 PolarHBondContact O-N 3.35Å; L256-N260 WeakPolarHBondContact O-CB 3.38Å; L256-N260 PolarHBondContact O-N 3.48Å; L256-N260 PolarHBondContact O-ND2 3.35Å
257	A	88.2	Confident	91.5	Very high	59 Å²	59	75.4 Å²	75.4	49%	0.488	42%	0.42	S	S	.	.	H	α-helix	trans	-63.8	-43.5	177	0	0	0	0	0	111.9	Y253 T254 N260 C261	Y253-A257 WeakPolarHBondContact O-CB 3.39Å; Y253-A257 PolarHBondContact O-N 2.83Å; T254-A257 PolarHBondContact O-N 3.47Å; T254-A257 VanDerWaalsContact O-N 3.15Å; A257-N260 PolarHBondContact O-N 2.91Å; A257-C261 VanDerWaalsContact O-CB 3.32Å; A257-C261 WeakPolarHBondContact O-CB 3.19Å; A257-C261 PolarHBondContact O-N 3.3Å
258	E	88.5	Confident	91.4	Very high	131 Å²	131	83 Å²	83	61%	0.612	45%	0.452	S	S	*	.	H	α-helix	trans	-62.7	-45.8	174.7	-72.4	-178.1	164.1	0	0	111.7	T254 N260 C261 L262	T254-E258 HydrophobicContact CG2-CG 4.44Å; T254-E258 WeakPolarHBondContact O-CG 3.37Å; T254-E258 PolarHBondContact O-N 3.22Å; E258-N260 VanDerWaalsContact C-N 3.35Å; E258-N260 PolarHBondContact O-N 3.29Å; E258-C261 WeakPolarHBondContact O-CB 3.34Å; E258-C261 PolarHBondContact O-N 2.95Å; E258-L262 WeakPolarHBondContact O-CB 3.42Å; E258-L262 PolarHBondContact O-N 3.44Å
259	A	88.9	Confident	91.4	Very high	41 Å²	41	81.9 Å²	81.9	34%	0.339	45%	0.453	S	S	.	.	H	α-helix	trans	-61.7	-41.7	176.6	0	0	0	0	0	112	A255 L256 L262 K263	A255-A259 VanDerWaalsContact O-CB 3.28Å; A255-A259 WeakPolarHBondContact O-CB 3.46Å; A255-A259 PolarHBondContact O-N 2.87Å; L256-A259 PolarHBondContact O-N 3.35Å; A259-L262 PolarHBondContact O-N 2.84Å; A259-K263 WeakPolarHBondContact O-CB 3.41Å; A259-K263 VanDerWaalsContact O-CG 3.32Å; A259-K263 WeakPolarHBondContact O-CG 3.46Å; A259-K263 PolarHBondContact O-N 3.28Å
260	N	90.4	Very high	91.3	Very high	86 Å²	86	85.1 Å²	85.1	46%	0.46	47%	0.465	S	S	.	.	H	α-helix	trans	-67	-39.9	176.6	-73	-20.4	0	0	0	111.9	L256 A257 E258 K263 G264	L256-N260 WeakPolarHBondContact O-CB 3.38Å; L256-N260 PolarHBondContact O-N 3.48Å; L256-N260 PolarHBondContact O-ND2 3.35Å; A257-N260 PolarHBondContact O-N 2.91Å; E258-N260 VanDerWaalsContact C-N 3.35Å; E258-N260 PolarHBondContact O-N 3.29Å; N260-K263 PolarHBondContact O-N 3.07Å; N260-G264 PolarHBondContact O-N 2.85Å
261	C	87.4	Confident	91.3	Very high	84 Å²	84	89.4 Å²	89.4	57%	0.568	49%	0.488	S	S	*	.	H	α-helix	trans	-61.6	-45.5	173.6	-174.9	0	0	0	0	111.3	A257 E258 G264 A265	A257-C261 VanDerWaalsContact O-CB 3.32Å; A257-C261 WeakPolarHBondContact O-CB 3.19Å; A257-C261 PolarHBondContact O-N 3.3Å; E258-C261 WeakPolarHBondContact O-CB 3.34Å; E258-C261 PolarHBondContact O-N 2.95Å; C261-G264 PolarHBondContact O-N 2.78Å; C261-A265 WeakPolarHBondContact O-CB 3.4Å; C261-A265 PolarHBondContact O-N 2.62Å
262	L	89.2	Confident	91.3	Very high	130 Å²	130	88.8 Å²	88.8	68%	0.681	50%	0.496	S	S	*	.	H	α-helix	trans	-64	-43.4	178	-172.6	67.6	0	0	0	111.8	E258 A259 G264 A265 L266	E258-L262 WeakPolarHBondContact O-CB 3.42Å; E258-L262 PolarHBondContact O-N 3.44Å; A259-L262 PolarHBondContact O-N 2.84Å; L262-G264 PolarHBondContact O-N 3.1Å; L262-A265 PolarHBondContact O-N 2.97Å; L262-L266 WeakPolarHBondContact O-CB 3.37Å; L262-L266 PolarHBondContact O-N 3.48Å
263	K	92.3	Very high	91.5	Very high	133 Å²	133	89 Å²	89	58%	0.578	49%	0.494	S	S	*	.	H	α-helix	trans	-58.8	-46.2	173.3	-76.6	176.8	-179.7	179.5	0	111.5	A259 N260 A265 L266 I267	A259-K263 WeakPolarHBondContact O-CB 3.41Å; A259-K263 VanDerWaalsContact O-CG 3.32Å; A259-K263 WeakPolarHBondContact O-CG 3.46Å; A259-K263 PolarHBondContact O-N 3.28Å; N260-K263 PolarHBondContact O-N 3.07Å; K263-A265 PolarHBondContact O-N 3.38Å; K263-L266 PolarHBondContact O-N 2.9Å; K263-I267 VanDerWaalsContact O-CG1 3.3Å; K263-I267 WeakPolarHBondContact O-CG1 3.48Å; K263-I267 PolarHBondContact O-N 3.42Å
264	G	90.2	Very high	91.8	Very high	30 Å²	30	86.9 Å²	86.9	31%	0.309	49%	0.491	S	S	.	.	H	α-helix	trans	-62.2	-41	177	0	0	0	0	0	112.9	N260 C261 L262 K268	N260-G264 PolarHBondContact O-N 2.85Å; C261-G264 PolarHBondContact O-N 2.78Å; L262-G264 PolarHBondContact O-N 3.1Å; G264-K268 WeakPolarHBondContact O-CG 3.45Å; G264-K268 PolarHBondContact O-N 3.15Å
265	A	91.4	Very high	92.1	Very high	47 Å²	47	91.5 Å²	91.5	39%	0.388	51%	0.51	S	S	.	.	H	α-helix	trans	-63.4	-45.3	174.3	0	0	0	0	0	111.5	C261 L262 K263 I267 K268 T269	C261-A265 WeakPolarHBondContact O-CB 3.4Å; C261-A265 PolarHBondContact O-N 2.62Å; L262-A265 PolarHBondContact O-N 2.97Å; K263-A265 PolarHBondContact O-N 3.38Å; A265-I267 PolarHBondContact O-N 3.08Å; A265-K268 PolarHBondContact O-N 2.75Å; A265-T269 PolarHBondContact O-N 3.14Å; A265-T269 PolarHBondContact O-OG1 3.19Å; A265-T269 VanDerWaalsContact O-OG1 3.07Å
266	L	93.6	Very high	92.4	Very high	101 Å²	101	92 Å²	92	53%	0.529	51%	0.51	S	S	.	.	H	α-helix	trans	-59.6	-45.8	177.5	-177	65.4	0	0	0	111.8	L262 K263 K268 T269 Q270	L262-L266 WeakPolarHBondContact O-CB 3.37Å; L262-L266 PolarHBondContact O-N 3.48Å; K263-L266 PolarHBondContact O-N 2.9Å; L266-K268 PolarHBondContact O-N 2.78Å; L266-T269 PolarHBondContact O-N 2.87Å; L266-Q270 WeakPolarHBondContact O-CB 3.32Å; L266-Q270 WeakPolarHBondContact O-CG 3.43Å; L266-Q270 PolarHBondContact O-N 3.01Å
267	I	93.4	Very high	92.7	Very high	96 Å²	96	91.7 Å²	91.7	49%	0.492	51%	0.507	S	S	.	.	H	α-helix	trans	-60.5	-45.9	176.5	-67.9	164.6	0	0	0	110.6	K263 A265 T269 Q270 L271	K263-I267 VanDerWaalsContact O-CG1 3.3Å; K263-I267 WeakPolarHBondContact O-CG1 3.48Å; K263-I267 PolarHBondContact O-N 3.42Å; A265-I267 PolarHBondContact O-N 3.08Å; I267-T269 VanDerWaalsContact C-N 3.35Å; I267-T269 PolarHBondContact O-N 2.92Å; I267-Q270 PolarHBondContact O-N 3Å; I267-L271 HydrophobicContact CG2-CD1 4.03Å; I267-L271 HydrophobicContact CG2-CG 4.47Å; I267-L271 WeakPolarHBondContact O-CG 3.42Å; I267-L271 PolarHBondContact O-N 2.88Å
268	K	94.2	Very high	93.1	Very high	159 Å²	159	93.3 Å²	93.3	69%	0.691	51%	0.505	S	S	*	.	H	α-helix	trans	-61	-42.6	176.5	-75.2	178.4	-179.3	-178.6	0	112	G264 A265 L266 L271 C272	G264-K268 WeakPolarHBondContact O-CG 3.45Å; G264-K268 PolarHBondContact O-N 3.15Å; A265-K268 PolarHBondContact O-N 2.75Å; L266-K268 PolarHBondContact O-N 2.78Å; K268-L271 PolarHBondContact O-N 2.81Å; K268-C272 WeakPolarHBondContact O-CB 3.39Å; K268-C272 PolarHBondContact O-N 2.61Å
269	T	93.8	Very high	93.5	Very high	84 Å²	84	90.7 Å²	90.7	52%	0.515	50%	0.495	S	S	.	.	H	α-helix	trans	-62.9	-44.3	175.7	-60	0	0	0	0	111.1	A265 L266 I267 C272 V273	A265-T269 PolarHBondContact O-N 3.14Å; A265-T269 PolarHBondContact O-OG1 3.19Å; A265-T269 VanDerWaalsContact O-OG1 3.07Å; L266-T269 PolarHBondContact O-N 2.87Å; I267-T269 VanDerWaalsContact C-N 3.35Å; I267-T269 PolarHBondContact O-N 2.92Å; T269-C272 WeakPolarHBondContact O-CB 3.31Å; T269-C272 PolarHBondContact O-N 3.08Å; T269-V273 WeakPolarHBondContact O-CG2 3.47Å; T269-V273 PolarHBondContact O-N 3.34Å
270	Q	94.6	Very high	93.8	Very high	117 Å²	117	95.1 Å²	95.1	55%	0.547	51%	0.507	S	S	.	.	H	α-helix	trans	-61.4	-43.9	176.3	-75	178	-32.3	0	0	112.4	L266 I267 V273 L274	L266-Q270 WeakPolarHBondContact O-CB 3.32Å; L266-Q270 WeakPolarHBondContact O-CG 3.43Å; L266-Q270 PolarHBondContact O-N 3.01Å; I267-Q270 PolarHBondContact O-N 3Å; Q270-V273 PolarHBondContact O-N 3.21Å; Q270-L274 WeakPolarHBondContact O-CB 3.26Å; Q270-L274 PolarHBondContact O-N 3.28Å
271	L	95.1	Very high	94.1	Very high	108 Å²	108	95.6 Å²	95.6	57%	0.565	51%	0.508	S	S	*	.	H	α-helix	trans	-62.8	-42	175.3	-72.3	170.7	0	0	0	112.1	I267 K268 L274 F275	I267-L271 HydrophobicContact CG2-CD1 4.03Å; I267-L271 HydrophobicContact CG2-CG 4.47Å; I267-L271 WeakPolarHBondContact O-CG 3.42Å; I267-L271 PolarHBondContact O-N 2.88Å; K268-L271 PolarHBondContact O-N 2.81Å; L271-L274 PolarHBondContact O-N 3Å; L271-F275 WeakPolarHBondContact O-CB 3.42Å; L271-F275 PolarHBondContact O-N 2.97Å
272	C	95.6	Very high	94.6	Very high	75 Å²	75	100.1 Å²	100.1	51%	0.507	51%	0.514	S	S	.	.	H	α-helix	trans	-61.3	-46.4	175.5	-176.4	0	0	0	0	111.3	K268 T269 L274 F275 C276	K268-C272 WeakPolarHBondContact O-CB 3.39Å; K268-C272 PolarHBondContact O-N 2.61Å; T269-C272 WeakPolarHBondContact O-CB 3.31Å; T269-C272 PolarHBondContact O-N 3.08Å; C272-L274 PolarHBondContact O-N 3.09Å; C272-F275 PolarHBondContact O-N 3.16Å; C272-C276 WeakPolarHBondContact O-CB 3.48Å; C272-C276 PolarHBondContact O-N 2.93Å; C272-C276 PolarHBondContact O-SG 3.11Å
273	V	96.2	Very high	94.9	Very high	79 Å²	79	99.2 Å²	99.2	48%	0.479	51%	0.509	S	S	.	.	H	α-helix	trans	-60.4	-46	176.2	171.6	0	0	0	0	111	T269 Q270 F275 C276 I277	T269-V273 WeakPolarHBondContact O-CG2 3.47Å; T269-V273 PolarHBondContact O-N 3.34Å; Q270-V273 PolarHBondContact O-N 3.21Å; V273-F275 PolarHBondContact O-N 3.41Å; V273-C276 PolarHBondContact O-N 3.5Å; V273-I277 HydrophobicContact CG1-CD1 3.92Å; V273-I277 VanDerWaalsContact O-CG1 3.31Å; V273-I277 WeakPolarHBondContact O-CG1 3.34Å; V273-I277 PolarHBondContact O-N 3.05Å
274	L	96.1	Very high	95.1	Very high	93 Å²	93	96 Å²	96	49%	0.487	50%	0.497	S	S	.	.	H	α-helix	trans	-61.4	-42.8	177.6	-176.3	64.5	0	0	0	112	Q270 L271 C272 I277 Q278	Q270-L274 WeakPolarHBondContact O-CB 3.26Å; Q270-L274 PolarHBondContact O-N 3.28Å; L271-L274 PolarHBondContact O-N 3Å; C272-L274 PolarHBondContact O-N 3.09Å; L274-I277 PolarHBondContact O-N 3.43Å; L274-Q278 WeakPolarHBondContact O-CG 3.47Å; L274-Q278 PolarHBondContact O-N 3.19Å
275	F	96.3	Very high	95.4	Very high	117 Å²	117	99.4 Å²	99.4	51%	0.513	51%	0.507	S	S	.	.	H	α-helix	trans	-62.9	-44.4	175.9	179.7	-103.2	0	0	0	111.9	L271 C272 V273 I277 Q278 L279	L271-F275 WeakPolarHBondContact O-CB 3.42Å; L271-F275 PolarHBondContact O-N 2.97Å; C272-F275 PolarHBondContact O-N 3.16Å; V273-F275 PolarHBondContact O-N 3.41Å; F275-I277 VanDerWaalsContact C-N 3.34Å; F275-I277 PolarHBondContact O-N 2.77Å; F275-Q278 PolarHBondContact O-N 3.11Å; F275-L279 HydrophobicContact CD1-CD1 3.88Å; F275-L279 HydrophobicContact CD1-CG 4.31Å; F275-L279 HydrophobicContact CE1-CD1 3.3Å; F275-L279 HydrophobicContact CE1-CG 3.94Å; F275-L279 HydrophobicContact CE2-CG 4.4Å; F275-L279 HydrophobicContact CZ-CD1 3.7Å; F275-L279 HydrophobicContact CZ-CD2 4.17Å; F275-L279 HydrophobicContact CZ-CG 3.98Å; F275-L279 PolarHBondContact O-N 3.31Å
276	C	96.2	Very high	95.6	Very high	67 Å²	67	101.9 Å²	101.9	45%	0.453	51%	0.514	S	S	.	.	H	α-helix	trans	-60.1	-42.2	174.8	-71.5	0	0	0	0	112.1	C272 V273 L279 F280	C272-C276 WeakPolarHBondContact O-CB 3.48Å; C272-C276 PolarHBondContact O-N 2.93Å; C272-C276 PolarHBondContact O-SG 3.11Å; V273-C276 PolarHBondContact O-N 3.5Å; C276-L279 PolarHBondContact O-N 3.39Å; C276-F280 WeakPolarHBondContact O-CB 3.46Å; C276-F280 PolarHBondContact O-N 3.34Å
277	I	96.4	Very high	95.8	Very high	88 Å²	88	104.7 Å²	104.7	45%	0.451	52%	0.517	S	S	.	.	H	α-helix	trans	-61.1	-45.5	175	-68.6	166.1	0	0	0	110.5	V273 L274 F275 F280 L281	V273-I277 HydrophobicContact CG1-CD1 3.92Å; V273-I277 VanDerWaalsContact O-CG1 3.31Å; V273-I277 WeakPolarHBondContact O-CG1 3.34Å; V273-I277 PolarHBondContact O-N 3.05Å; L274-I277 PolarHBondContact O-N 3.43Å; F275-I277 VanDerWaalsContact C-N 3.34Å; F275-I277 PolarHBondContact O-N 2.77Å; I277-F280 PolarHBondContact O-N 3.34Å; I277-L281 HydrophobicContact CG2-CD1 3.98Å; I277-L281 HydrophobicContact CG2-CG 4.43Å; I277-L281 WeakPolarHBondContact O-CB 3.24Å; I277-L281 WeakPolarHBondContact O-CG 3.18Å; I277-L281 PolarHBondContact O-N 3.43Å
278	Q	95.6	Very high	95.9	Very high	94 Å²	94	104.5 Å²	104.5	44%	0.439	52%	0.517	S	S	.	.	H	α-helix	trans	-63.8	-42	178.4	-72.5	178.2	-7.3	0	0	112.7	L274 F275 L281 R282	L274-Q278 WeakPolarHBondContact O-CG 3.47Å; L274-Q278 PolarHBondContact O-N 3.19Å; F275-Q278 PolarHBondContact O-N 3.11Å; Q278-L281 PolarHBondContact O-N 3.42Å; Q278-R282 WeakPolarHBondContact O-CG 3.49Å; Q278-R282 PolarHBondContact O-N 2.81Å
279	L	96.4	Very high	96	Very high	76 Å²	76	100.6 Å²	100.6	40%	0.398	51%	0.508	S	S	.	.	H	α-helix	trans	-62.2	-45.6	174.5	-74.6	-176.5	0	0	0	111.4	F275 C276 L281 R282 L283	F275-L279 HydrophobicContact CD1-CD1 3.88Å; F275-L279 HydrophobicContact CD1-CG 4.31Å; F275-L279 HydrophobicContact CE1-CD1 3.3Å; F275-L279 HydrophobicContact CE1-CG 3.94Å; F275-L279 HydrophobicContact CE2-CG 4.4Å; F275-L279 HydrophobicContact CZ-CD1 3.7Å; F275-L279 HydrophobicContact CZ-CD2 4.17Å; F275-L279 HydrophobicContact CZ-CG 3.98Å; F275-L279 PolarHBondContact O-N 3.31Å; C276-L279 PolarHBondContact O-N 3.39Å; L279-L281 PolarHBondContact O-N 3.24Å; L279-R282 PolarHBondContact O-N 2.84Å; L279-L283 WeakPolarHBondContact O-CG 3.15Å; L279-L283 PolarHBondContact O-N 2.94Å
280	F	96.5	Very high	96	Very high	134 Å²	134	101 Å²	101	59%	0.588	51%	0.506	S	S	*	.	H	α-helix	trans	-61.7	-43.5	178.3	-171.2	-108.2	0	0	0	111.8	C276 I277 R282 L283 I284	C276-F280 WeakPolarHBondContact O-CB 3.46Å; C276-F280 PolarHBondContact O-N 3.34Å; I277-F280 PolarHBondContact O-N 3.34Å; F280-R282 PolarHBondContact O-N 3.03Å; F280-L283 PolarHBondContact O-N 2.95Å; F280-I284 HydrophobicContact CD1-CD1 3.58Å; F280-I284 HydrophobicContact CD1-CG1 4.41Å; F280-I284 HydrophobicContact CE1-CD1 3.28Å; F280-I284 HydrophobicContact CE1-CG1 4.2Å; F280-I284 HydrophobicContact CG-CD1 4.42Å; F280-I284 HydrophobicContact CZ-CD1 3.88Å; F280-I284 HydrophobicContact CZ-CG1 4.4Å; F280-I284 WeakPolarHBondContact O-CG1 3.21Å; F280-I284 PolarHBondContact O-N 3.35Å
281	L	96.8	Very high	96.1	Very high	95 Å²	95	99.1 Å²	99.1	50%	0.497	50%	0.5	S	S	.	.	H	α-helix	trans	-60.9	-42	174	-73.1	171	0	0	0	112.2	I277 Q278 L279 I284 I285	I277-L281 HydrophobicContact CG2-CD1 3.98Å; I277-L281 HydrophobicContact CG2-CG 4.43Å; I277-L281 WeakPolarHBondContact O-CB 3.24Å; I277-L281 WeakPolarHBondContact O-CG 3.18Å; I277-L281 PolarHBondContact O-N 3.43Å; Q278-L281 PolarHBondContact O-N 3.42Å; L279-L281 PolarHBondContact O-N 3.24Å; L281-I284 PolarHBondContact O-N 2.81Å; L281-I285 VanDerWaalsContact O-CG1 3.25Å; L281-I285 WeakPolarHBondContact O-CG1 3.07Å; L281-I285 PolarHBondContact O-N 3.18Å
282	R	96.4	Very high	96	Very high	179 Å²	179	99.7 Å²	99.7	68%	0.675	50%	0.5	S	S	*	.	H	α-helix	trans	-63.9	-40.5	175.4	-74.1	179.3	-177.4	-158.9	1.9	112.3	Q278 L279 F280 I285 L286	Q278-R282 WeakPolarHBondContact O-CG 3.49Å; Q278-R282 PolarHBondContact O-N 2.81Å; L279-R282 PolarHBondContact O-N 2.84Å; F280-R282 PolarHBondContact O-N 3.03Å; R282-I285 PolarHBondContact O-N 2.88Å; R282-L286 WeakPolarHBondContact O-CB 3.49Å; R282-L286 PolarHBondContact O-N 3.15Å
283	L	96.2	Very high	95.9	Very high	112 Å²	112	99.8 Å²	99.8	59%	0.586	50%	0.501	S	S	*	.	H	α-helix	trans	-65.2	-41.1	175.8	-70.8	173.3	0	0	0	111.6	L279 F280 L286 W287	L279-L283 WeakPolarHBondContact O-CG 3.15Å; L279-L283 PolarHBondContact O-N 2.94Å; F280-L283 PolarHBondContact O-N 2.95Å; L283-L286 PolarHBondContact O-N 2.95Å; L283-W287 WeakPolarHBondContact O-CB 3.14Å; L283-W287 PolarHBondContact O-N 3.41Å
284	I	96.8	Very high	95.8	Very high	64 Å²	64	101.4 Å²	101.4	33%	0.328	51%	0.505	S	S	.	.	H	α-helix	trans	-60.9	-48.3	173.3	-72.2	169.8	0	0	0	110.6	F280 L281 L286 W287 L288	F280-I284 HydrophobicContact CD1-CD1 3.58Å; F280-I284 HydrophobicContact CD1-CG1 4.41Å; F280-I284 HydrophobicContact CE1-CD1 3.28Å; F280-I284 HydrophobicContact CE1-CG1 4.2Å; F280-I284 HydrophobicContact CG-CD1 4.42Å; F280-I284 HydrophobicContact CZ-CD1 3.88Å; F280-I284 HydrophobicContact CZ-CG1 4.4Å; F280-I284 WeakPolarHBondContact O-CG1 3.21Å; F280-I284 PolarHBondContact O-N 3.35Å; L281-I284 PolarHBondContact O-N 2.81Å; I284-L286 VanDerWaalsContact C-N 3.33Å; I284-L286 PolarHBondContact O-N 3.34Å; I284-W287 PolarHBondContact O-N 2.9Å; I284-L288 HydrophobicContact CG2-CD1 3.93Å; I284-L288 HydrophobicContact CG2-CG 4.34Å; I284-L288 WeakPolarHBondContact O-CG 3.4Å; I284-L288 PolarHBondContact O-N 3.33Å
285	I	96.6	Very high	95.7	Very high	102 Å²	102	100 Å²	100	52%	0.523	50%	0.502	S	S	.	.	H	α-helix	trans	-59.8	-45	178.6	-68.4	163.8	0	0	0	110.4	L281 R282 W287 L288 C289	L281-I285 VanDerWaalsContact O-CG1 3.25Å; L281-I285 WeakPolarHBondContact O-CG1 3.07Å; L281-I285 PolarHBondContact O-N 3.18Å; R282-I285 PolarHBondContact O-N 2.88Å; I285-W287 PolarHBondContact O-N 3.47Å; I285-L288 PolarHBondContact O-N 3.28Å; I285-C289 PolarHBondContact O-N 3.09Å; I285-C289 PolarHBondContact O-SG 2.81Å
286	L	96	Very high	95.5	Very high	100 Å²	100	98 Å²	98	52%	0.524	50%	0.497	S	S	.	.	H	α-helix	trans	-61.7	-44.2	176.9	-179.2	63.4	0	0	0	111.8	R282 L283 I284 C289 I290	R282-L286 WeakPolarHBondContact O-CB 3.49Å; R282-L286 PolarHBondContact O-N 3.15Å; L283-L286 PolarHBondContact O-N 2.95Å; I284-L286 VanDerWaalsContact C-N 3.33Å; I284-L286 PolarHBondContact O-N 3.34Å; L286-C289 WeakPolarHBondContact O-CB 3.32Å; L286-C289 PolarHBondContact O-N 2.91Å; L286-I290 HydrophobicContact CD1-CD1 4.32Å; L286-I290 HydrophobicContact CG-CD1 4.03Å; L286-I290 VanDerWaalsContact O-CG1 3.32Å; L286-I290 WeakPolarHBondContact O-CG1 3.46Å; L286-I290 PolarHBondContact O-N 3.34Å
287	W	95.9	Very high	95.3	Very high	160 Å²	160	99.4 Å²	99.4	61%	0.606	50%	0.499	S	S	*	.	H	α-helix	trans	-61.9	-43	177	-176.9	80.9	0	0	0	111.7	L283 I284 I285 I290 L291	L283-W287 WeakPolarHBondContact O-CB 3.14Å; L283-W287 PolarHBondContact O-N 3.41Å; I284-W287 PolarHBondContact O-N 2.9Å; I285-W287 PolarHBondContact O-N 3.47Å; W287-I290 PolarHBondContact O-N 3.44Å; W287-L291 HydrophobicContact CH2-CD2 4.07Å; W287-L291 HydrophobicContact CZ3-CD2 4.19Å; W287-L291 WeakPolarHBondContact O-CB 3.36Å; W287-L291 PolarHBondContact O-N 3.12Å
288	L	96.1	Very high	95.1	Very high	92 Å²	92	101.5 Å²	101.5	48%	0.482	51%	0.505	S	S	.	.	H	α-helix	trans	-62.9	-40.1	173.8	-70.4	173.3	0	0	0	112.2	I284 I285 L291 H292	I284-L288 HydrophobicContact CG2-CD1 3.93Å; I284-L288 HydrophobicContact CG2-CG 4.34Å; I284-L288 WeakPolarHBondContact O-CG 3.4Å; I284-L288 PolarHBondContact O-N 3.33Å; I285-L288 PolarHBondContact O-N 3.28Å; L288-L291 PolarHBondContact O-N 3.34Å; L288-H292 WeakPolarHBondContact O-CB 3.39Å; L288-H292 PolarHBondContact O-N 2.84Å
289	C	95.7	Very high	95	Very high	76 Å²	76	100.6 Å²	100.6	51%	0.514	51%	0.508	S	S	.	.	H	α-helix	trans	-64.1	-42	174.7	-72.2	0	0	0	0	112.4	I285 L286 H292 S293	I285-C289 PolarHBondContact O-N 3.09Å; I285-C289 PolarHBondContact O-SG 2.81Å; L286-C289 WeakPolarHBondContact O-CB 3.32Å; L286-C289 PolarHBondContact O-N 2.91Å; C289-H292 PolarHBondContact O-N 3.16Å; C289-S293 WeakPolarHBondContact O-CB 3.44Å; C289-S293 PolarHBondContact O-N 3.24Å
290	I	95.6	Very high	94.8	Very high	92 Å²	92	101 Å²	101	47%	0.472	52%	0.516	S	S	.	.	H	α-helix	trans	-64.4	-45.7	175.8	-68.1	166	0	0	0	110	L286 W287 H292 S293 M294	L286-I290 HydrophobicContact CD1-CD1 4.32Å; L286-I290 HydrophobicContact CG-CD1 4.03Å; L286-I290 VanDerWaalsContact O-CG1 3.32Å; L286-I290 WeakPolarHBondContact O-CG1 3.46Å; L286-I290 PolarHBondContact O-N 3.34Å; W287-I290 PolarHBondContact O-N 3.44Å; I290-H292 VanDerWaalsContact C-N 3.35Å; I290-H292 PolarHBondContact O-N 2.94Å; I290-S293 PolarHBondContact O-N 3.29Å; I290-M294 HydrophobicContact CG2-CG 4.2Å; I290-M294 WeakPolarHBondContact O-CB 3.27Å; I290-M294 WeakPolarHBondContact O-CG 3.26Å; I290-M294 PolarHBondContact O-N 2.68Å
291	L	94.9	Very high	94.5	Very high	79 Å²	79	98.9 Å²	98.9	41%	0.414	51%	0.511	S	S	.	.	H	α-helix	trans	-59.7	-45.3	177	-175.9	63.5	0	0	0	111.2	W287 L288 S293 M294 C295	W287-L291 HydrophobicContact CH2-CD2 4.07Å; W287-L291 HydrophobicContact CZ3-CD2 4.19Å; W287-L291 WeakPolarHBondContact O-CB 3.36Å; W287-L291 PolarHBondContact O-N 3.12Å; L288-L291 PolarHBondContact O-N 3.34Å; L291-S293 PolarHBondContact O-N 3.08Å; L291-M294 PolarHBondContact O-N 3.09Å; L291-C295 WeakPolarHBondContact O-CB 3.41Å; L291-C295 PolarHBondContact O-N 3.2Å; L291-C295 PolarHBondContact O-SG 3.26Å; L291-C295 VanDerWaalsContact O-SG 3.32Å
292	H	94.6	Very high	94.2	Very high	120 Å²	120	98.5 Å²	98.5	56%	0.556	51%	0.509	S	S	*	.	H	α-helix	trans	-60.4	-43.8	175.3	-176.2	67.7	0	0	0	112.1	L288 C289 I290 C295 N296	L288-H292 WeakPolarHBondContact O-CB 3.39Å; L288-H292 PolarHBondContact O-N 2.84Å; C289-H292 PolarHBondContact O-N 3.16Å; I290-H292 VanDerWaalsContact C-N 3.35Å; I290-H292 PolarHBondContact O-N 2.94Å; H292-C295 PolarHBondContact O-N 2.99Å; H292-N296 PolarHBondContact CD2-ND2 2.83Å; H292-N296 VanDerWaalsContact CD2-ND2 3.33Å; H292-N296 PolarHBondContact CE1-ND2 2.79Å; H292-N296 PolarHBondContact NE2-ND2 3.35Å; H292-N296 WeakPolarHBondContact O-CB 3.28Å; H292-N296 VanDerWaalsContact O-CG 3.27Å; H292-N296 PolarHBondContact O-N 2.99Å; H292-N296 PolarHBondContact O-ND2 3.31Å
293	S	93.7	Very high	93.9	Very high	76 Å²	76	96.8 Å²	96.8	53%	0.531	51%	0.507	S	S	.	.	H	α-helix	trans	-63.1	-42.9	175.9	-173.3	0	0	0	0	112.4	C289 I290 L291 N296 L297	C289-S293 WeakPolarHBondContact O-CB 3.44Å; C289-S293 PolarHBondContact O-N 3.24Å; I290-S293 PolarHBondContact O-N 3.29Å; L291-S293 PolarHBondContact O-N 3.08Å; S293-N296 PolarHBondContact O-N 3.44Å; S293-L297 WeakPolarHBondContact O-CB 3.44Å; S293-L297 PolarHBondContact O-N 2.88Å
294	M	93.7	Very high	93.5	Very high	114 Å²	114	94.9 Å²	94.9	56%	0.562	50%	0.502	S	S	*	.	H	α-helix	trans	-63.1	-45.3	175.8	-67.3	-116.7	73.1	0	0	111.6	I290 L291 L297 F298	I290-M294 HydrophobicContact CG2-CG 4.2Å; I290-M294 WeakPolarHBondContact O-CB 3.27Å; I290-M294 WeakPolarHBondContact O-CG 3.26Å; I290-M294 PolarHBondContact O-N 2.68Å; L291-M294 PolarHBondContact O-N 3.09Å; M294-L297 PolarHBondContact O-N 3.25Å; M294-F298 VanDerWaalsContact O-CB 3.32Å; M294-F298 WeakPolarHBondContact O-CB 3.41Å; M294-F298 PolarHBondContact O-N 2.77Å
295	C	93.8	Very high	93.1	Very high	63 Å²	63	97.5 Å²	97.5	43%	0.426	52%	0.515	S	S	.	.	H	α-helix	trans	-60	-45	174.6	-72.4	0	0	0	0	111.4	L291 H292 F298 C299	L291-C295 WeakPolarHBondContact O-CB 3.41Å; L291-C295 PolarHBondContact O-N 3.2Å; L291-C295 PolarHBondContact O-SG 3.26Å; L291-C295 VanDerWaalsContact O-SG 3.32Å; H292-C295 PolarHBondContact O-N 2.99Å; C295-F298 PolarHBondContact O-N 3.31Å; C295-C299 WeakPolarHBondContact O-CB 3.48Å; C295-C299 PolarHBondContact O-N 3.19Å; C295-C299 PolarHBondContact O-SG 3.47Å
296	N	92.8	Very high	92.8	Very high	76 Å²	76	96.3 Å²	96.3	41%	0.406	52%	0.515	S	S	.	.	H	α-helix	trans	-63.3	-44.1	177	-73.3	-22	0	0	0	112.1	H292 S293 F298 C299 C300	H292-N296 PolarHBondContact CD2-ND2 2.83Å; H292-N296 VanDerWaalsContact CD2-ND2 3.33Å; H292-N296 PolarHBondContact CE1-ND2 2.79Å; H292-N296 PolarHBondContact NE2-ND2 3.35Å; H292-N296 WeakPolarHBondContact O-CB 3.28Å; H292-N296 VanDerWaalsContact O-CG 3.27Å; H292-N296 PolarHBondContact O-N 2.99Å; H292-N296 PolarHBondContact O-ND2 3.31Å; S293-N296 PolarHBondContact O-N 3.44Å; N296-F298 VanDerWaalsContact C-N 3.34Å; N296-F298 PolarHBondContact O-N 3.16Å; N296-C299 PolarHBondContact O-N 2.94Å; N296-C300 WeakPolarHBondContact O-CB 3.22Å; N296-C300 PolarHBondContact O-N 3.39Å; N296-C300 PolarHBondContact O-SG 3.2Å
297	L	91.5	Very high	92.4	Very high	96 Å²	96	95.1 Å²	95.1	50%	0.503	51%	0.509	S	S	.	.	H	α-helix	trans	-62.3	-42.9	176.6	-178.4	64.1	0	0	0	111.3	S293 M294 C300 L301	S293-L297 WeakPolarHBondContact O-CB 3.44Å; S293-L297 PolarHBondContact O-N 2.88Å; M294-L297 PolarHBondContact O-N 3.25Å; L297-C300 PolarHBondContact O-N 3.42Å; L297-L301 HydrophobicContact CG-CD1 4.13Å; L297-L301 WeakPolarHBondContact O-CB 2.98Å; L297-L301 WeakPolarHBondContact O-CG 3.18Å; L297-L301 PolarHBondContact O-N 2.9Å
298	F	92.7	Very high	91.9	Very high	131 Å²	131	92.2 Å²	92.2	58%	0.575	51%	0.505	S	S	*	.	H	α-helix	trans	-61.7	-45.7	176	-176.5	-103.9	0	0	0	111.5	M294 C295 N296 C300 L301 L302	M294-F298 VanDerWaalsContact O-CB 3.32Å; M294-F298 WeakPolarHBondContact O-CB 3.41Å; M294-F298 PolarHBondContact O-N 2.77Å; C295-F298 PolarHBondContact O-N 3.31Å; N296-F298 VanDerWaalsContact C-N 3.34Å; N296-F298 PolarHBondContact O-N 3.16Å; F298-C300 PolarHBondContact O-N 3.18Å; F298-L301 PolarHBondContact O-N 2.88Å; F298-L302 HydrophobicContact CD1-CD1 3.79Å; F298-L302 HydrophobicContact CD1-CG 4.39Å; F298-L302 HydrophobicContact CE1-CD1 3.34Å; F298-L302 HydrophobicContact CE1-CG 4.08Å; F298-L302 HydrophobicContact CZ-CD1 3.82Å; F298-L302 HydrophobicContact CZ-CD2 4.36Å; F298-L302 HydrophobicContact CZ-CG 4.17Å; F298-L302 WeakPolarHBondContact O-CG 3.3Å; F298-L302 PolarHBondContact O-N 2.88Å
299	C	92.6	Very high	91.6	Very high	76 Å²	76	94.4 Å²	94.4	51%	0.514	51%	0.511	S	S	.	.	H	α-helix	trans	-59.8	-43.3	173.7	-70.9	0	0	0	0	112.1	C295 N296 L302 F303	C295-C299 WeakPolarHBondContact O-CB 3.48Å; C295-C299 PolarHBondContact O-N 3.19Å; C295-C299 PolarHBondContact O-SG 3.47Å; N296-C299 PolarHBondContact O-N 2.94Å; C299-L302 PolarHBondContact O-N 3.43Å; C299-F303 WeakPolarHBondContact O-CB 3.33Å; C299-F303 PolarHBondContact O-N 2.88Å
300	C	91.9	Very high	91.1	Very high	83 Å²	83	94 Å²	94	56%	0.561	51%	0.507	S	S	*	.	H	α-helix	trans	-64.2	-40.3	176	-73.3	0	0	0	0	112.6	N296 L297 F298 F303 S304	N296-C300 WeakPolarHBondContact O-CB 3.22Å; N296-C300 PolarHBondContact O-N 3.39Å; N296-C300 PolarHBondContact O-SG 3.2Å; L297-C300 PolarHBondContact O-N 3.42Å; F298-C300 PolarHBondContact O-N 3.18Å; C300-F303 PolarHBondContact O-N 2.99Å; C300-S304 WeakPolarHBondContact O-CB 3.44Å; C300-S304 PolarHBondContact O-N 3.47Å
301	L	90	Very high	90.5	Very high	90 Å²	90	92.4 Å²	92.4	47%	0.471	51%	0.505	S	S	.	.	H	α-helix	trans	-66	-44.8	176.4	-76.7	169	0	0	0	111.4	L297 F298 F303 S304 M305	L297-L301 HydrophobicContact CG-CD1 4.13Å; L297-L301 WeakPolarHBondContact O-CB 2.98Å; L297-L301 WeakPolarHBondContact O-CG 3.18Å; L297-L301 PolarHBondContact O-N 2.9Å; F298-L301 PolarHBondContact O-N 2.88Å; L301-F303 VanDerWaalsContact C-N 3.34Å; L301-F303 PolarHBondContact O-N 2.95Å; L301-S304 PolarHBondContact O-N 3.11Å; L301-M305 WeakPolarHBondContact O-CB 3.37Å; L301-M305 VanDerWaalsContact O-CG 3.25Å; L301-M305 WeakPolarHBondContact O-CG 2.84Å; L301-M305 PolarHBondContact O-N 3Å
302	L	90.9	Very high	90	Very high	88 Å²	88	92.3 Å²	92.3	46%	0.461	50%	0.504	S	S	.	.	H	α-helix	trans	-58.6	-46.5	173.9	-75.3	176.6	0	0	0	111.1	F298 C299 S304 M305 C306	F298-L302 HydrophobicContact CD1-CD1 3.79Å; F298-L302 HydrophobicContact CD1-CG 4.39Å; F298-L302 HydrophobicContact CE1-CD1 3.34Å; F298-L302 HydrophobicContact CE1-CG 4.08Å; F298-L302 HydrophobicContact CZ-CD1 3.82Å; F298-L302 HydrophobicContact CZ-CD2 4.36Å; F298-L302 HydrophobicContact CZ-CG 4.17Å; F298-L302 WeakPolarHBondContact O-CG 3.3Å; F298-L302 PolarHBondContact O-N 2.88Å; C299-L302 PolarHBondContact O-N 3.43Å; L302-S304 PolarHBondContact O-N 3.08Å; L302-M305 PolarHBondContact O-N 3.43Å; L302-C306 WeakPolarHBondContact O-CB 3.18Å; L302-C306 PolarHBondContact O-N 2.88Å; L302-C306 PolarHBondContact O-SG 3.45Å; L302-C306 VanDerWaalsContact O-SG 3.33Å
303	F	89.8	Confident	89.6	Confident	143 Å²	143	91.6 Å²	91.6	63%	0.627	50%	0.504	S	S	*	.	H	α-helix	trans	-62.1	-41.9	177.4	-169	-103.1	0	0	0	112.3	C299 C300 L301 C306 N307	C299-F303 WeakPolarHBondContact O-CB 3.33Å; C299-F303 PolarHBondContact O-N 2.88Å; C300-F303 PolarHBondContact O-N 2.99Å; L301-F303 VanDerWaalsContact C-N 3.34Å; L301-F303 PolarHBondContact O-N 2.95Å; F303-C306 PolarHBondContact O-N 3.24Å; F303-N307 VanDerWaalsContact CD1-ND2 3.26Å; F303-N307 WeakPolarHBondContact CD1-ND2 3.28Å; F303-N307 WeakPolarHBondContact CE1-ND2 3.3Å; F303-N307 PolarHBondContact O-N 3.4Å; F303-N307 PolarHBondContact O-ND2 3.4Å; F303-N307 VanDerWaalsContact O-ND2 3.12Å
304	S	88	Confident	89	Confident	71 Å²	71	95.7 Å²	95.7	50%	0.497	51%	0.513	S	S	.	.	H	α-helix	trans	-64.8	-43.6	176.1	-173.4	0	0	0	0	112.4	C300 L301 L302 N307 L308	C300-S304 WeakPolarHBondContact O-CB 3.44Å; C300-S304 PolarHBondContact O-N 3.47Å; L301-S304 PolarHBondContact O-N 3.11Å; L302-S304 PolarHBondContact O-N 3.08Å; S304-N307 PolarHBondContact O-N 3.08Å; S304-L308 WeakPolarHBondContact O-CB 3.42Å; S304-L308 PolarHBondContact O-N 3.04Å
305	M	89.3	Confident	88.5	Confident	119 Å²	119	94.6 Å²	94.6	59%	0.586	51%	0.508	S	S	*	.	H	α-helix	trans	-63.7	-42.8	176.1	-71.6	-64.4	178.9	0	0	111.5	L301 L302 N307 L308 F309	L301-M305 WeakPolarHBondContact O-CB 3.37Å; L301-M305 VanDerWaalsContact O-CG 3.25Å; L301-M305 WeakPolarHBondContact O-CG 2.84Å; L301-M305 PolarHBondContact O-N 3Å; L302-M305 PolarHBondContact O-N 3.43Å; M305-N307 VanDerWaalsContact C-N 3.34Å; M305-N307 PolarHBondContact O-N 3.12Å; M305-L308 PolarHBondContact O-N 3.32Å; M305-F309 VanDerWaalsContact O-CB 3.27Å; M305-F309 WeakPolarHBondContact O-CB 3.32Å; M305-F309 PolarHBondContact O-N 3.32Å
306	C	89.6	Confident	87.9	Confident	78 Å²	78	96.4 Å²	96.4	53%	0.527	51%	0.513	S	S	.	.	H	α-helix	trans	-57.5	-47.2	172.1	-74.1	0	0	0	0	111.1	L302 F303 L308 F309 C310	L302-C306 WeakPolarHBondContact O-CB 3.18Å; L302-C306 PolarHBondContact O-N 2.88Å; L302-C306 PolarHBondContact O-SG 3.45Å; L302-C306 VanDerWaalsContact O-SG 3.33Å; F303-C306 PolarHBondContact O-N 3.24Å; C306-L308 PolarHBondContact O-N 2.82Å; C306-F309 PolarHBondContact O-N 3.5Å; C306-C310 WeakPolarHBondContact O-CB 3.36Å; C306-C310 PolarHBondContact O-N 3.19Å; C306-C310 PolarHBondContact O-SG 3.27Å
307	N	87.1	Confident	87.4	Confident	75 Å²	75	96 Å²	96	40%	0.401	51%	0.514	S	S	.	.	H	α-helix	trans	-64.4	-39.9	178.2	-76.2	-38.3	0	0	0	113.3	F303 S304 M305 S311	F303-N307 VanDerWaalsContact CD1-ND2 3.26Å; F303-N307 WeakPolarHBondContact CD1-ND2 3.28Å; F303-N307 WeakPolarHBondContact CE1-ND2 3.3Å; F303-N307 PolarHBondContact O-N 3.4Å; F303-N307 PolarHBondContact O-ND2 3.4Å; F303-N307 VanDerWaalsContact O-ND2 3.12Å; S304-N307 PolarHBondContact O-N 3.08Å; M305-N307 VanDerWaalsContact C-N 3.34Å; M305-N307 PolarHBondContact O-N 3.12Å; N307-S311 WeakPolarHBondContact O-CB 3.29Å; N307-S311 PolarHBondContact O-N 2.84Å; N307-S311 PolarHBondContact O-OG 3.18Å
308	L	86.5	Confident	87	Confident	99 Å²	99	98.4 Å²	98.4	52%	0.518	52%	0.52	S	S	.	.	H	α-helix	trans	-66.7	-43.6	177.1	-170.1	75.9	0	0	0	110.8	S304 M305 C306 S311 L312	S304-L308 WeakPolarHBondContact O-CB 3.42Å; S304-L308 PolarHBondContact O-N 3.04Å; M305-L308 PolarHBondContact O-N 3.32Å; C306-L308 PolarHBondContact O-N 2.82Å; L308-S311 PolarHBondContact O-N 3Å; L308-L312 HydrophobicContact CD2-CD1 4.39Å; L308-L312 HydrophobicContact CG-CD1 4.08Å; L308-L312 WeakPolarHBondContact O-CB 3.26Å; L308-L312 WeakPolarHBondContact O-CG 3.42Å; L308-L312 PolarHBondContact O-N 3.45Å
309	F	88.2	Confident	86.5	Confident	138 Å²	138	99.4 Å²	99.4	61%	0.605	53%	0.525	S	S	*	.	H	α-helix	trans	-63.3	-45.7	177.3	-161.1	-97.2	0	0	0	111	M305 C306 S311 L312 L313	M305-F309 VanDerWaalsContact O-CB 3.27Å; M305-F309 WeakPolarHBondContact O-CB 3.32Å; M305-F309 PolarHBondContact O-N 3.32Å; C306-F309 PolarHBondContact O-N 3.5Å; F309-S311 VanDerWaalsContact C-N 3.32Å; F309-S311 PolarHBondContact O-N 2.99Å; F309-L312 PolarHBondContact O-N 3.25Å; F309-L313 HydrophobicContact CD1-CD1 3.61Å; F309-L313 HydrophobicContact CD1-CG 4.2Å; F309-L313 HydrophobicContact CE1-CD1 3.65Å; F309-L313 HydrophobicContact CE1-CG 4.14Å; F309-L313 WeakPolarHBondContact O-CB 3.44Å; F309-L313 WeakPolarHBondContact O-CG 3.49Å; F309-L313 PolarHBondContact O-N 2.88Å
310	C	85.3	Confident	86	Confident	66 Å²	66	100.9 Å²	100.9	45%	0.446	53%	0.527	S	S	.	.	H	α-helix	trans	-56.4	-45.8	171.4	-71.5	0	0	0	0	111.3	C306 L313 F314	C306-C310 WeakPolarHBondContact O-CB 3.36Å; C306-C310 PolarHBondContact O-N 3.19Å; C306-C310 PolarHBondContact O-SG 3.27Å; C310-L313 PolarHBondContact O-N 3.35Å; C310-F314 WeakPolarHBondContact O-CD2 3.45Å; C310-F314 PolarHBondContact O-N 2.9Å
311	S	84	Confident	85.6	Confident	60 Å²	60	101.9 Å²	101.9	42%	0.42	53%	0.525	S	S	.	.	H	α-helix	trans	-65.6	-41.5	179.5	-60.4	0	0	0	0	112.9	N307 L308 F309 F314 I315	N307-S311 WeakPolarHBondContact O-CB 3.29Å; N307-S311 PolarHBondContact O-N 2.84Å; N307-S311 PolarHBondContact O-OG 3.18Å; L308-S311 PolarHBondContact O-N 3Å; F309-S311 VanDerWaalsContact C-N 3.32Å; F309-S311 PolarHBondContact O-N 2.99Å; S311-F314 PolarHBondContact O-N 2.84Å; S311-F314 VanDerWaalsContact O-N 3.15Å; S311-I315 WeakPolarHBondContact O-CB 3.26Å; S311-I315 VanDerWaalsContact O-CG1 3.23Å; S311-I315 WeakPolarHBondContact O-CG1 3.48Å; S311-I315 PolarHBondContact O-N 3.4Å
312	L	84.3	Confident	85.4	Confident	76 Å²	76	102.1 Å²	102.1	40%	0.398	53%	0.525	S	S	.	.	H	α-helix	trans	-65.5	-40.1	177.3	-77.3	168.2	0	0	0	111.7	L308 F309 F314 I315 I316	L308-L312 HydrophobicContact CD2-CD1 4.39Å; L308-L312 HydrophobicContact CG-CD1 4.08Å; L308-L312 WeakPolarHBondContact O-CB 3.26Å; L308-L312 WeakPolarHBondContact O-CG 3.42Å; L308-L312 PolarHBondContact O-N 3.45Å; F309-L312 PolarHBondContact O-N 3.25Å; L312-F314 PolarHBondContact O-N 3.04Å; L312-I315 PolarHBondContact O-N 3.21Å; L312-I316 HydrophobicContact CB-CD1 4.09Å; L312-I316 HydrophobicContact CD2-CD1 4.14Å; L312-I316 HydrophobicContact CD2-CG1 4.36Å; L312-I316 WeakPolarHBondContact O-CB 3.24Å; L312-I316 WeakPolarHBondContact O-CG1 3.49Å; L312-I316 PolarHBondContact O-N 3Å
313	L	85.6	Confident	85.1	Confident	106 Å²	106	104.6 Å²	104.6	56%	0.555	53%	0.533	S	S	*	.	H	α-helix	trans	-58.7	-30.9	172.5	-77.4	168.3	0	0	0	112.2	F309 C310 P317	F309-L313 HydrophobicContact CD1-CD1 3.61Å; F309-L313 HydrophobicContact CD1-CG 4.2Å; F309-L313 HydrophobicContact CE1-CD1 3.65Å; F309-L313 HydrophobicContact CE1-CG 4.14Å; F309-L313 WeakPolarHBondContact O-CB 3.44Å; F309-L313 WeakPolarHBondContact O-CG 3.49Å; F309-L313 PolarHBondContact O-N 2.88Å; C310-L313 PolarHBondContact O-N 3.35Å; L313-P317 WeakPolarHBondContact O-CD 3.26Å; L313-P317 WeakPolarHBondContact O-CG 3.44Å
314	F	81.7	Confident	84.8	Confident	162 Å²	162	102.2 Å²	102.2	71%	0.711	53%	0.526	S	S	*	.	H	α-helix	trans	-85.4	-36.1	174	-79.8	-72.1	0	0	0	113.8	C310 S311 L312 K318	C310-F314 WeakPolarHBondContact O-CD2 3.45Å; C310-F314 PolarHBondContact O-N 2.9Å; S311-F314 PolarHBondContact O-N 2.84Å; S311-F314 VanDerWaalsContact O-N 3.15Å; L312-F314 PolarHBondContact O-N 3.04Å; F314-K318 WeakPolarHBondContact O-CB 3.31Å
315	I	82.7	Confident	84.5	Confident	91 Å²	91	107 Å²	107	47%	0.467	53%	0.533	S	S	.	.	H	α-helix	trans	-80.8	-44.4	-173.6	-67.3	165.1	0	0	0	112.2	S311 L312 K318 K319	S311-I315 WeakPolarHBondContact O-CB 3.26Å; S311-I315 VanDerWaalsContact O-CG1 3.23Å; S311-I315 WeakPolarHBondContact O-CG1 3.48Å; S311-I315 PolarHBondContact O-N 3.4Å; L312-I315 PolarHBondContact O-N 3.21Å; I315-K318 PolarHBondContact O-N 3.01Å; I315-K319 HydrophobicContact CG2-CG 4.46Å; I315-K319 PolarHBondContact O-N 3.02Å
316	I	81.4	Confident	84.1	Confident	101 Å²	101	104.6 Å²	104.6	52%	0.518	53%	0.525	S	S	.	.	H	α-helix	trans	-59.6	-50.1	-175.2	-66.8	163.8	0	0	0	111	L312 K318 K319 L320	L312-I316 HydrophobicContact CB-CD1 4.09Å; L312-I316 HydrophobicContact CD2-CD1 4.14Å; L312-I316 HydrophobicContact CD2-CG1 4.36Å; L312-I316 WeakPolarHBondContact O-CB 3.24Å; L312-I316 WeakPolarHBondContact O-CG1 3.49Å; L312-I316 PolarHBondContact O-N 3Å; I316-K318 VanDerWaalsContact C-N 3.27Å; I316-K318 PolarHBondContact O-N 3.16Å; I316-K319 PolarHBondContact O-N 2.89Å; I316-L320 VanDerWaalsContact O-CB 3.26Å; I316-L320 WeakPolarHBondContact O-CB 3.41Å; I316-L320 PolarHBondContact O-N 3.49Å
317	P	83.1	Confident	83.7	Confident	68 Å²	68	103.9 Å²	103.9	44%	0.442	52%	0.518	S	S	.	.	H	α-helix	trans	-62.5	-37.7	177.9	-20.4	32.9	0	0	0	111.6	L313 L320 M321	L313-P317 WeakPolarHBondContact O-CD 3.26Å; L313-P317 WeakPolarHBondContact O-CG 3.44Å; P317-L320 PolarHBondContact O-N 3.44Å; P317-M321 WeakPolarHBondContact O-CB 3.27Å; P317-M321 PolarHBondContact O-N 3.43Å
318	K	83.4	Confident	83.4	Confident	145 Å²	145	104.5 Å²	104.5	63%	0.63	52%	0.521	S	S	*	.	H	α-helix	trans	-65.8	-44.7	179.9	-162.8	175.8	-176.1	178.3	0	111.8	F314 I315 I316 I322	F314-K318 WeakPolarHBondContact O-CB 3.31Å; I315-K318 PolarHBondContact O-N 3.01Å; I316-K318 VanDerWaalsContact C-N 3.27Å; I316-K318 PolarHBondContact O-N 3.16Å; K318-I322 WeakPolarHBondContact O-CD1 3.23Å; K318-I322 VanDerWaalsContact O-CG1 3.26Å; K318-I322 WeakPolarHBondContact O-CG1 3.31Å; K318-I322 PolarHBondContact O-N 3.12Å; K318-I322 VanDerWaalsContact O-N 3.09Å
319	K	81.8	Confident	83	Confident	153 Å²	153	109.1 Å²	109.1	67%	0.665	53%	0.531	S	S	*	.	H	α-helix	trans	-68.7	-41.2	175.4	-91.6	-160.1	173.2	-169.2	0	112.4	I315 I316 M321 I322 F323	I315-K319 HydrophobicContact CG2-CG 4.46Å; I315-K319 PolarHBondContact O-N 3.02Å; I316-K319 PolarHBondContact O-N 2.89Å; K319-M321 VanDerWaalsContact C-N 3.3Å; K319-M321 PolarHBondContact O-N 3.22Å; K319-I322 PolarHBondContact O-N 3.41Å; K319-F323 WeakPolarHBondContact O-CB 3.36Å; K319-F323 PolarHBondContact O-N 2.89Å
320	L	82.5	Confident	82.2	Confident	106 Å²	106	108 Å²	108	56%	0.555	53%	0.531	S	S	*	.	H	α-helix	trans	-59.9	-44.6	176.4	-163.2	74.6	0	0	0	110.1	I316 P317 I322 F323 L324	I316-L320 VanDerWaalsContact O-CB 3.26Å; I316-L320 WeakPolarHBondContact O-CB 3.41Å; I316-L320 PolarHBondContact O-N 3.49Å; P317-L320 PolarHBondContact O-N 3.44Å; L320-I322 VanDerWaalsContact C-N 3.33Å; L320-I322 PolarHBondContact O-N 3.49Å; L320-F323 PolarHBondContact O-N 3.07Å; L320-L324 HydrophobicContact CD2-CD1 4.47Å; L320-L324 HydrophobicContact CG-CD1 3.89Å; L320-L324 WeakPolarHBondContact O-CB 3.38Å; L320-L324 WeakPolarHBondContact O-CD1 3.26Å; L320-L324 PolarHBondContact O-N 3.24Å
321	M	83.2	Confident	81.6	Confident	105 Å²	105	112.4 Å²	112.4	52%	0.517	55%	0.545	S	S	.	.	H	α-helix	trans	-62.3	-37.5	176.3	-157.4	-158.6	-49.3	0	0	112.5	P317 K319 R325	P317-M321 WeakPolarHBondContact O-CB 3.27Å; P317-M321 PolarHBondContact O-N 3.43Å; K319-M321 VanDerWaalsContact C-N 3.3Å; K319-M321 PolarHBondContact O-N 3.22Å; M321-R325 VanDerWaalsContact O-CG 3.31Å; M321-R325 WeakPolarHBondContact O-CG 3.28Å; M321-R325 PolarHBondContact O-N 3.3Å
322	I	85.9	Confident	81.1	Confident	95 Å²	95	119.7 Å²	119.7	49%	0.487	56%	0.563	S	S	.	*	H	α-helix	trans	-70.1	-43.7	175	-67.4	163.6	0	0	0	111.2	K318 K319 L320 R325 T326	K318-I322 WeakPolarHBondContact O-CD1 3.23Å; K318-I322 VanDerWaalsContact O-CG1 3.26Å; K318-I322 WeakPolarHBondContact O-CG1 3.31Å; K318-I322 PolarHBondContact O-N 3.12Å; K318-I322 VanDerWaalsContact O-N 3.09Å; K319-I322 PolarHBondContact O-N 3.41Å; L320-I322 VanDerWaalsContact C-N 3.33Å; L320-I322 PolarHBondContact O-N 3.49Å; I322-R325 WeakPolarHBondContact O-CB 3.35Å; I322-R325 PolarHBondContact O-N 3.04Å; I322-T326 PolarHBondContact O-N 3.18Å; I322-T326 PolarHBondContact O-OG1 3Å
323	F	83.8	Confident	80.2	Confident	140 Å²	140	124.6 Å²	124.6	61%	0.614	58%	0.581	S	S	*	*	H	α-helix	trans	-64.8	-46	180	-175.5	-97.9	0	0	0	111.7	K319 L320 R325 T326 V327	K319-F323 WeakPolarHBondContact O-CB 3.36Å; K319-F323 PolarHBondContact O-N 2.89Å; L320-F323 PolarHBondContact O-N 3.07Å; F323-R325 VanDerWaalsContact C-N 3.28Å; F323-R325 PolarHBondContact O-N 3.27Å; F323-T326 PolarHBondContact O-N 3.08Å; F323-V327 HydrophobicContact CD1-CG2 3.89Å; F323-V327 HydrophobicContact CE1-CG2 3.45Å; F323-V327 VanDerWaalsContact CE1-CG2 3.45Å; F323-V327 HydrophobicContact CE2-CG2 4.25Å; F323-V327 HydrophobicContact CG-CG2 4.46Å; F323-V327 HydrophobicContact CZ-CG2 3.66Å; F323-V327 WeakPolarHBondContact O-CG2 3.45Å; F323-V327 PolarHBondContact O-N 2.95Å
324	L	82.6	Confident	79	Confident	93 Å²	93	124.9 Å²	124.9	49%	0.487	59%	0.588	S	S	.	*	H	α-helix	trans	-55.5	-44.2	172.5	-95	125	0	0	0	111.3	L320 T326 V327 I328	L320-L324 HydrophobicContact CD2-CD1 4.47Å; L320-L324 HydrophobicContact CG-CD1 3.89Å; L320-L324 WeakPolarHBondContact O-CB 3.38Å; L320-L324 WeakPolarHBondContact O-CD1 3.26Å; L320-L324 PolarHBondContact O-N 3.24Å; L324-T326 VanDerWaalsContact C-N 3.27Å; L324-T326 PolarHBondContact O-N 3.49Å; L324-V327 PolarHBondContact O-N 3.39Å; L324-I328 WeakPolarHBondContact O-CB 3.35Å; L324-I328 VanDerWaalsContact O-CD1 3.28Å; L324-I328 WeakPolarHBondContact O-CD1 3.39Å; L324-I328 WeakPolarHBondContact O-CG1 3.13Å; L324-I328 PolarHBondContact O-N 3.05Å; L324-I328 VanDerWaalsContact O-N 3.08Å
325	R	83.3	Confident	77.8	Confident	170 Å²	170	123 Å²	123	64%	0.642	59%	0.591	S	S	*	*	H	α-helix	trans	-60.7	-33.7	175	-79.1	177.4	-179.1	-175	1.9	113.2	M321 I322 F323 R329	M321-R325 VanDerWaalsContact O-CG 3.31Å; M321-R325 WeakPolarHBondContact O-CG 3.28Å; M321-R325 PolarHBondContact O-N 3.3Å; I322-R325 WeakPolarHBondContact O-CB 3.35Å; I322-R325 PolarHBondContact O-N 3.04Å; F323-R325 VanDerWaalsContact C-N 3.28Å; F323-R325 PolarHBondContact O-N 3.27Å; R325-R329 PolarHBondContact O-N 3.47Å
326	T	80.2	Confident	76.6	Confident	70 Å²	70	130.2 Å²	130.2	43%	0.429	61%	0.613	S	S	.	*	H	α-helix	trans	-78.3	-42.8	-179.9	-51.9	0	0	0	0	112.3	I322 F323 L324 I328 R329 L330	I322-T326 PolarHBondContact O-N 3.18Å; I322-T326 PolarHBondContact O-OG1 3Å; F323-T326 PolarHBondContact O-N 3.08Å; L324-T326 VanDerWaalsContact C-N 3.27Å; L324-T326 PolarHBondContact O-N 3.49Å; T326-I328 VanDerWaalsContact C-N 3.35Å; T326-I328 PolarHBondContact O-N 3.48Å; T326-R329 WeakPolarHBondContact O-CB 3.49Å; T326-R329 PolarHBondContact O-N 2.91Å; T326-R329 VanDerWaalsContact O-N 3.08Å; T326-L330 HydrophobicContact CG2-CD1 4.3Å; T326-L330 PolarHBondContact O-N 3.01Å
327	V	81.2	Confident	75.1	Confident	62 Å²	62	137.1 Å²	137.1	38%	0.376	65%	0.65	S	S	.	*	H	α-helix	trans	-61.7	-45.1	176.6	173.7	0	0	0	0	110.6	F323 L324 R329 L330 E331	F323-V327 HydrophobicContact CD1-CG2 3.89Å; F323-V327 HydrophobicContact CE1-CG2 3.45Å; F323-V327 VanDerWaalsContact CE1-CG2 3.45Å; F323-V327 HydrophobicContact CE2-CG2 4.25Å; F323-V327 HydrophobicContact CG-CG2 4.46Å; F323-V327 HydrophobicContact CZ-CG2 3.66Å; F323-V327 WeakPolarHBondContact O-CG2 3.45Å; F323-V327 PolarHBondContact O-N 2.95Å; L324-V327 PolarHBondContact O-N 3.39Å; V327-R329 PolarHBondContact O-N 3.49Å; V327-L330 PolarHBondContact O-N 3.08Å; V327-E331 PolarHBondContact O-N 3.13Å; V327-E331 VanDerWaalsContact O-N 3.13Å
328	I	81.4	Confident	74.7	Confident	89 Å²	89	140.6 Å²	140.6	46%	0.456	66%	0.66	S	S	.	*	H	α-helix	trans	-60.5	-27.7	175.8	-65.7	166.1	0	0	0	111.7	L324 T326	L324-I328 WeakPolarHBondContact O-CB 3.35Å; L324-I328 VanDerWaalsContact O-CD1 3.28Å; L324-I328 WeakPolarHBondContact O-CD1 3.39Å; L324-I328 WeakPolarHBondContact O-CG1 3.13Å; L324-I328 PolarHBondContact O-N 3.05Å; L324-I328 VanDerWaalsContact O-N 3.08Å; T326-I328 VanDerWaalsContact C-N 3.35Å; T326-I328 PolarHBondContact O-N 3.48Å
329	R	77.5	Confident	74.2	Confident	196 Å²	196	140.4 Å²	140.4	74%	0.74	66%	0.662	S	S	*	*	H	α-helix	trans	-78.6	-33.8	173.9	-85.5	-173.8	-170.7	-173.4	2.7	113.7	R325 T326 V327 R332	R325-R329 PolarHBondContact O-N 3.47Å; T326-R329 WeakPolarHBondContact O-CB 3.49Å; T326-R329 PolarHBondContact O-N 2.91Å; T326-R329 VanDerWaalsContact O-N 3.08Å; V327-R329 PolarHBondContact O-N 3.49Å; R329-R332 PolarHBondContact O-N 3.04Å
330	L	71.3	Confident	73.8	Confident	113 Å²	113	139.7 Å²	139.7	59%	0.592	66%	0.662	S	S	*	*	H	α-helix	trans	-74.6	-40.4	-177.4	-94.6	153.3	0	0	0	112.1	T326 V327 R332 K333	T326-L330 HydrophobicContact CG2-CD1 4.3Å; T326-L330 PolarHBondContact O-N 3.01Å; V327-L330 PolarHBondContact O-N 3.08Å; L330-R332 PolarHBondContact O-N 3.43Å; L330-R332 VanDerWaalsContact O-N 3.12Å; L330-K333 PolarHBondContact O-N 2.95Å
331	E	73.5	Confident	73.3	Confident	159 Å²	159	141.6 Å²	141.6	74%	0.743	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.7	-25.5	173.9	-99.4	-166	153.8	0	0	113	V327 K333	V327-E331 PolarHBondContact O-N 3.13Å; V327-E331 VanDerWaalsContact O-N 3.13Å; E331-K333 VanDerWaalsContact C-N 3.28Å; E331-K333 PolarHBondContact O-N 3.12Å
332	R	71.8	Confident	72.7	Confident	214 Å²	214	143.9 Å²	143.9	81%	0.808	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	-8.1	176	-72.8	-175.3	-174.1	178.4	1.4	114.3	R329 L330	R329-R332 PolarHBondContact O-N 3.04Å; L330-R332 PolarHBondContact O-N 3.43Å; L330-R332 VanDerWaalsContact O-N 3.12Å
333	K	66.9	Low	71.8	Confident	178 Å²	178	147.2 Å²	147.2	77%	0.774	69%	0.69	S	S	*	*	S	Bend	trans	-110.6	-4.4	-170.8	-101.1	-172	176.7	-171.3	0	116.2	L330 E331 P335	L330-K333 PolarHBondContact O-N 2.95Å; E331-K333 VanDerWaalsContact C-N 3.28Å; E331-K333 PolarHBondContact O-N 3.12Å; K333-P335 WeakPolarHBondContact O-CD 3.08Å
334	T	59.9	Low	70.9	Confident	112 Å²	112	147.7 Å²	147.7	69%	0.687	70%	0.695	S	S	*	*			trans	-94.7	103.1	177.8	14.7	0	0	0	0	110.9
335	P	57.1	Low	70	Confident	122 Å²	122	151.9 Å²	151.9	79%	0.792	71%	0.711	S	S	*	*			trans	-71.2	141	166.9	28.2	-31.7	0	0	0	110.2	K333	K333-P335 WeakPolarHBondContact O-CD 3.08Å
336	R	57.2	Low	68.9	Low	243 Å²	243	150.4 Å²	150.4	92%	0.917	72%	0.717	S	S	*	*			trans	-74.4	129.2	-179.7	-61.6	178	-175.7	-174.7	-0.2	110.5
337	L	48.7	Very low	67.9	Low	247 Å²	247	157.7 Å²	157.7	100%	1.293	74%	0.743	S	S	*	*			trans	-158.1	0	146.2	-105.5	151.9	0	0	0	109

Retrieved 337 of 337 residues in 272.3 ms (Link to these results)

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