A0A077YXU0_TRITR Loading...

CK1:TTBK protein kinase

AlphaFold DB , UniProt , Accession A0A077YXU0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 317 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41	Very low	76.2	Confident	235 Å²	235	107.1 Å²	107.1	100%	1.158	57%	0.567	S	S	*	*				0	3.6	0	-82.4	170.4	62.1	0	0	113.8
2	E	47.4	Very low	76.7	Confident	182 Å²	182	106.7 Å²	106.7	85%	0.85	57%	0.565	S	S	*	*	G	3₁₀ helix	trans	-81.9	-6.8	-179.6	-89.6	174.5	152.4	0	0	116.3	D4	E2-D4 VanDerWaalsContact C-N 3.27Å; E2-D4 PolarHBondContact O-N 3.04Å
3	K	55.4	Low	77	Confident	192 Å²	192	100.7 Å²	100.7	84%	0.835	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-79.2	-2.6	-166.8	-71.9	-174	178.5	175.6	0	115.6
4	D	77.4	Confident	76.4	Confident	88 Å²	88	100 Å²	100	47%	0.471	54%	0.535	S	S	.	.	G	3₁₀ helix	trans	-110.1	13	-171.6	-57.9	-35.4	0	0	0	113.4	E2 L13	E2-D4 VanDerWaalsContact C-N 3.27Å; E2-D4 PolarHBondContact O-N 3.04Å; D4-L13 WeakPolarHBondContact O-CB 3.31Å; D4-L13 PolarHBondContact O-N 2.89Å
5	K	86.4	Confident	75.6	Confident	102 Å²	102	102.4 Å²	102.4	44%	0.443	54%	0.538	S	S	.	.	B	Isolated β-bridge	trans	-107.4	143.4	176.2	-62	-60.9	-165.5	172.1	0	111.6	I7 S10 S11 D12	K5-I7 PolarHBondContact O-N 3.07Å; K5-S10 WeakPolarHBondContact CD-O 3.36Å; K5-S11 CarbonylContact C-O 3.43Å; K5-S11 WeakPolarHBondContact CA-O 3.38Å; K5-D12 WeakPolarHBondContact CD-OD1 3.45Å; K5-D12 VanDerWaalsContact CE-OD1 3.26Å; K5-D12 WeakPolarHBondContact CE-OD1 3.4Å; K5-D12 IonicContact NZ-OD1 2.65Å; K5-D12 PolarHBondContact NZ-OD1 3.48Å; K5-D12 IonicContact NZ-OD2 3.53Å
6	C	87.9	Confident	74.4	Confident	3 Å²	3	104.5 Å²	104.5	2%	0.02	56%	0.556	C	S	.	*			trans	-66.4	128.2	176	178.5	0	0	0	0	110.9	A8 S10 S11 L13 G241 C243 H246	C6-A8 PolarHBondContact O-N 3.43Å; C6-A8 PolarHBondContact SG-N 3.01Å; C6-A8 VanDerWaalsContact SG-N 3.44Å; C6-S10 VanDerWaalsContact O-CA 3.24Å; C6-S10 WeakPolarHBondContact O-CA 3.4Å; C6-S10 PolarHBondContact O-N 3.31Å; C6-S11 WeakPolarHBondContact CB-O 3.47Å; C6-S11 PolarHBondContact N-O 3.38Å; C6-L13 HydrophobicContact CB-CD2 3.86Å; C6-G241 WeakPolarHBondContact CA-O 3.22Å; C6-C243 HydrophobicContact CB-CB 3.87Å; C6-C243 PolarHBondContact SG-N 3.28Å; C6-C243 VanDerWaalsContact SG-SG 3.65Å; C6-H246 PolarHBondContact SG-ND1 3.17Å; C6-H246 VanDerWaalsContact SG-ND1 3.42Å
7	I	90.7	Very high	73.4	Confident	123 Å²	123	103.8 Å²	103.8	63%	0.631	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-33.8	178.8	-63.5	166.2	0	0	0	112.4	K5 G241	K5-I7 PolarHBondContact O-N 3.07Å; I7-G241 WeakPolarHBondContact CG1-O 3.26Å; I7-G241 PolarHBondContact N-O 3.31Å
8	A	89.3	Confident	72.5	Confident	57 Å²	57	103.7 Å²	103.7	47%	0.471	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.1	-29.4	-173.2	0	0	0	0	0	114.7	C6 H246	C6-A8 PolarHBondContact O-N 3.43Å; C6-A8 PolarHBondContact SG-N 3.01Å; C6-A8 VanDerWaalsContact SG-N 3.44Å; A8-H246 VanDerWaalsContact CB-CE1 3.43Å; A8-H246 WeakPolarHBondContact CB-CE1 3.28Å
9	C	91.1	Very high	71.6	Confident	64 Å²	64	106.9 Å²	106.9	43%	0.432	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn	trans	-138.7	6.4	-176.7	64.8	0	0	0	0	115.2	S11 H246	C9-S11 PolarHBondContact O-N 3.46Å; C9-S11 PolarHBondContact SG-OG 2.77Å; C9-S11 VanDerWaalsContact SG-OG 3.39Å; C9-H246 VanDerWaalsContact SG-CE1 3.54Å
10	S	86.5	Confident	71.4	Confident	87 Å²	87	105.5 Å²	105.5	61%	0.608	55%	0.55	S	S	*	.			trans	58.4	16.3	179.4	-54.5	0	0	0	0	115.2	K5 C6	K5-S10 WeakPolarHBondContact CD-O 3.36Å; C6-S10 VanDerWaalsContact O-CA 3.24Å; C6-S10 WeakPolarHBondContact O-CA 3.4Å; C6-S10 PolarHBondContact O-N 3.31Å
11	S	85.6	Confident	71.4	Confident	45 Å²	45	101 Å²	101	32%	0.315	53%	0.527	S	S	.	.			trans	-70.9	156.2	171.1	74.3	0	0	0	0	111.1	K5 C6 C9 L13 C243	K5-S11 CarbonylContact C-O 3.43Å; K5-S11 WeakPolarHBondContact CA-O 3.38Å; C6-S11 WeakPolarHBondContact CB-O 3.47Å; C6-S11 PolarHBondContact N-O 3.38Å; C9-S11 PolarHBondContact O-N 3.46Å; C9-S11 PolarHBondContact SG-OG 2.77Å; C9-S11 VanDerWaalsContact SG-OG 3.39Å; S11-L13 PolarHBondContact O-N 3.44Å; S11-C243 WeakPolarHBondContact OG-CB 3.25Å
12	D	81.7	Confident	72.7	Confident	102 Å²	102	90 Å²	90	55%	0.545	47%	0.473	S	S	.	.	B	Isolated β-bridge	trans	-64	135.5	174.6	-65.1	-54.5	0	0	0	112	K5	K5-D12 WeakPolarHBondContact CD-OD1 3.45Å; K5-D12 VanDerWaalsContact CE-OD1 3.26Å; K5-D12 WeakPolarHBondContact CE-OD1 3.4Å; K5-D12 IonicContact NZ-OD1 2.65Å; K5-D12 PolarHBondContact NZ-OD1 3.48Å; K5-D12 IonicContact NZ-OD2 3.53Å
13	L	81	Confident	73.7	Confident	29 Å²	29	90.2 Å²	90.2	15%	0.152	47%	0.466	C	S	.	.	S	Bend	trans	-83.4	-23.8	175.6	-65.7	-177.2	0	0	0	112.5	D4 C6 S11 Y203 H242 C243	D4-L13 WeakPolarHBondContact O-CB 3.31Å; D4-L13 PolarHBondContact O-N 2.89Å; C6-L13 HydrophobicContact CB-CD2 3.86Å; S11-L13 PolarHBondContact O-N 3.44Å; L13-Y203 PolarHBondContact O-OH 3.41Å; L13-H242 WeakPolarHBondContact CD2-O 3.39Å; L13-C243 HydrophobicContact CD2-CB 4.07Å; L13-C243 VanDerWaalsContact CD2-N 3.35Å
14	V	68.4	Low	74.4	Confident	91 Å²	91	82 Å²	82	55%	0.552	43%	0.431	S	S	*	.	S	Bend	trans	-120.3	131.9	-174.8	-176.4	0	0	0	0	108.6
15	K	63.6	Low	74	Confident	136 Å²	136	85.2 Å²	85.2	59%	0.591	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-82.2	136.3	167.8	-70.8	-173.2	179.6	179.7	0	108.9	F17	K15-F17 HydrophobicContact CB-CE1 4.47Å; K15-F17 HydrophobicContact CB-CE2 4.01Å; K15-F17 HydrophobicContact CB-CZ 3.97Å; K15-F17 WeakPolarHBondContact O-CD2 3.22Å; K15-F17 WeakPolarHBondContact O-CE2 3.35Å; K15-F17 PolarHBondContact O-N 3.26Å
16	V	57.3	Low	73.2	Confident	136 Å²	136	84 Å²	84	82%	0.824	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-71.8	119.9	167.5	-175	0	0	0	0	107.3
17	F	57.8	Low	72.7	Confident	92 Å²	92	86.6 Å²	86.6	40%	0.404	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-99.7	146.6	174.7	-64.5	-83.2	0	0	0	109.7	K15 W19 D44	K15-F17 HydrophobicContact CB-CE1 4.47Å; K15-F17 HydrophobicContact CB-CE2 4.01Å; K15-F17 HydrophobicContact CB-CZ 3.97Å; K15-F17 WeakPolarHBondContact O-CD2 3.22Å; K15-F17 WeakPolarHBondContact O-CE2 3.35Å; K15-F17 PolarHBondContact O-N 3.26Å; F17-W19 PolarHBondContact O-N 3.04Å; F17-D44 WeakPolarHBondContact CB-OD1 3.43Å; F17-D44 WeakPolarHBondContact CD1-OD1 3.24Å; F17-D44 WeakPolarHBondContact CD1-OD2 3.48Å; F17-D44 WeakPolarHBondContact CD2-OD1 3.18Å; F17-D44 WeakPolarHBondContact CG-OD1 3.48Å
18	P	56.8	Low	72.4	Confident	103 Å²	103	88.8 Å²	88.8	67%	0.669	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-64.4	120.5	169.8	8.7	-1.2	0	0	0	108.6	I20	P18-I20 PolarHBondContact O-N 3.41Å
19	W	55.1	Low	72.4	Confident	164 Å²	164	89.3 Å²	89.3	62%	0.621	48%	0.478	S	S	*	.			trans	-75.6	87.7	179.9	-55.1	96.9	0	0	0	110	F17 V21 T42	F17-W19 PolarHBondContact O-N 3.04Å; W19-V21 VanDerWaalsContact C-N 3.35Å; W19-V21 HydrophobicContact CB-CG2 4.33Å; W19-V21 HydrophobicContact CE3-CG2 4.38Å; W19-T42 HydrophobicContact CE3-CG2 3.51Å; W19-T42 HydrophobicContact CZ3-CG2 3.36Å
20	I	67.7	Low	72.3	Confident	78 Å²	78	86.8 Å²	86.8	40%	0.4	46%	0.461	S	S	.	.			trans	-99.4	66.5	165.9	-45.5	175.3	0	0	0	108	P18 Y66 H69	P18-I20 PolarHBondContact O-N 3.41Å; I20-Y66 HydrophobicContact CG2-CD2 4Å; I20-Y66 HydrophobicContact CG2-CE2 4.3Å; I20-H69 WeakPolarHBondContact CG2-NE2 3.3Å
21	V	70.5	Confident	72.4	Confident	11 Å²	11	86.1 Å²	86.1	7%	0.067	45%	0.45	C	S	.	.	S	Bend	trans	-128.6	146.8	-179.3	-67.5	0	0	0	0	111.4	W19 R23 T42 N43 Y66	W19-V21 VanDerWaalsContact C-N 3.35Å; W19-V21 HydrophobicContact CB-CG2 4.33Å; W19-V21 HydrophobicContact CE3-CG2 4.38Å; V21-R23 PolarHBondContact O-N 3.47Å; V21-R23 VanDerWaalsContact O-N 3.16Å; V21-T42 HydrophobicContact CB-CG2 4.09Å; V21-T42 HydrophobicContact CG1-CG2 3.77Å; V21-T42 HydrophobicContact CG2-CG2 3.6Å; V21-N43 VanDerWaalsContact CG1-O 3.25Å; V21-N43 WeakPolarHBondContact CG1-O 3.44Å; V21-Y66 VanDerWaalsContact O-CE2 3.24Å; V21-Y66 WeakPolarHBondContact O-CE2 3.47Å; V21-Y66 PolarHBondContact O-OH 3.49Å
22	P	68.5	Low	72.5	Confident	4 Å²	4	86.5 Å²	86.5	3%	0.026	46%	0.462	C	S	.	.			trans	-53.1	121.6	176.9	-29.3	36.4	0	0	0	112.2	L24 A64 Y66 I102	P22-L24 HydrophobicContact CB-CG 4.49Å; P22-L24 PolarHBondContact O-N 3.5Å; P22-A64 HydrophobicContact CG-CB 4.29Å; P22-Y66 HydrophobicContact CB-CE1 4.43Å; P22-Y66 HydrophobicContact CG-CD1 4.23Å; P22-Y66 HydrophobicContact CG-CD2 4.34Å; P22-Y66 HydrophobicContact CG-CE1 4.43Å; P22-Y66 HydrophobicContact CG-CG 4.2Å; P22-I102 HydrophobicContact CB-CD1 3.9Å; P22-I102 HydrophobicContact CB-CG1 4.01Å; P22-I102 HydrophobicContact CB-CG2 4.4Å; P22-I102 HydrophobicContact CG-CG1 4.31Å; P22-I102 HydrophobicContact CG-CG2 4.3Å
23	R	69.4	Low	73	Confident	188 Å²	188	86.4 Å²	86.4	71%	0.709	46%	0.458	S	S	*	.			trans	-86.6	78.7	171.5	-63.1	-171.1	-172.1	-174.4	3.4	109.5	V21 E25	V21-R23 PolarHBondContact O-N 3.47Å; V21-R23 VanDerWaalsContact O-N 3.16Å; R23-E25 PolarHBondContact O-N 2.99Å
24	L	70.3	Confident	73.6	Confident	19 Å²	19	86.1 Å²	86.1	10%	0.099	46%	0.455	C	S	.	.			trans	-76.1	24.9	169.2	-69.6	175.4	0	0	0	112.4	P22 G26 V27 V30 I36 F49 A64 I102	P22-L24 HydrophobicContact CB-CG 4.49Å; P22-L24 PolarHBondContact O-N 3.5Å; L24-G26 PolarHBondContact O-N 2.92Å; L24-V27 HydrophobicContact CB-CB 4.29Å; L24-V27 HydrophobicContact CB-CG2 4.41Å; L24-V27 HydrophobicContact CD2-CB 4.14Å; L24-V27 HydrophobicContact CD2-CG1 4.23Å; L24-V27 HydrophobicContact CD2-CG2 3.89Å; L24-V27 WeakPolarHBondContact O-CB 3.48Å; L24-V27 PolarHBondContact O-N 3.16Å; L24-V30 HydrophobicContact CD1-CG2 4.43Å; L24-I36 HydrophobicContact CB-CD1 4.19Å; L24-I36 HydrophobicContact CD1-CD1 4.1Å; L24-F49 HydrophobicContact CB-CE1 4.31Å; L24-F49 HydrophobicContact CB-CE2 4.26Å; L24-F49 HydrophobicContact CB-CZ 3.76Å; L24-F49 HydrophobicContact CD1-CD2 4.19Å; L24-F49 HydrophobicContact CD1-CE2 3.64Å; L24-F49 HydrophobicContact CD1-CZ 4.04Å; L24-F49 HydrophobicContact CG-CE2 4.38Å; L24-F49 HydrophobicContact CG-CZ 4.34Å; L24-A64 HydrophobicContact CD1-CB 4.38Å; L24-I102 HydrophobicContact CD1-CD1 4.39Å; L24-I102 HydrophobicContact CD2-CD1 3.29Å; L24-I102 HydrophobicContact CG-CD1 3.84Å
25	E	67.5	Low	74.9	Confident	155 Å²	155	87.3 Å²	87.3	72%	0.724	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	126.4	179.4	-71.2	177.8	-179.5	0	0	109.9	R23 V27	R23-E25 PolarHBondContact O-N 2.99Å; E25-V27 PolarHBondContact O-N 2.71Å
26	G	69.7	Low	76.3	Confident	78 Å²	78	82.1 Å²	82.1	80%	0.804	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	-14.1	-176	0	0	0	0	0	115	L24 K28	L24-G26 PolarHBondContact O-N 2.92Å; G26-K28 PolarHBondContact O-N 2.89Å
27	V	78.5	Confident	78	Confident	57 Å²	57	80.5 Å²	80.5	35%	0.345	42%	0.415	S	S	.	.			trans	-70.7	117.9	173.5	-178.4	0	0	0	0	109	L24 E25 T29 V30 I36	L24-V27 HydrophobicContact CB-CB 4.29Å; L24-V27 HydrophobicContact CB-CG2 4.41Å; L24-V27 HydrophobicContact CD2-CB 4.14Å; L24-V27 HydrophobicContact CD2-CG1 4.23Å; L24-V27 HydrophobicContact CD2-CG2 3.89Å; L24-V27 WeakPolarHBondContact O-CB 3.48Å; L24-V27 PolarHBondContact O-N 3.16Å; E25-V27 PolarHBondContact O-N 2.71Å; V27-T29 VanDerWaalsContact CG1-O 3.24Å; V27-T29 WeakPolarHBondContact CG1-O 3.23Å; V27-V30 HydrophobicContact CG1-CG2 4.23Å; V27-I36 HydrophobicContact CB-CD1 4.44Å; V27-I36 HydrophobicContact CG1-CD1 4.34Å
28	K	83.8	Confident	79.6	Confident	168 Å²	168	78.7 Å²	78.7	73%	0.73	41%	0.413	S	S	*	.			trans	-90.3	-29.1	178.5	-66.6	-176.2	-179	176.9	0	112.5	G26 K35 I36	G26-K28 PolarHBondContact O-N 2.89Å; K28-K35 WeakPolarHBondContact O-CA 3.47Å; K28-I36 PolarHBondContact O-N 2.62Å
29	T	89.6	Confident	81.2	Confident	68 Å²	68	79.2 Å²	79.2	42%	0.417	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	136.9	-174.7	55	0	0	0	0	110.3	V27 W34 M54	V27-T29 VanDerWaalsContact CG1-O 3.24Å; V27-T29 WeakPolarHBondContact CG1-O 3.23Å; T29-W34 CarbonylContact C-O 3.6Å; T29-W34 WeakPolarHBondContact CA-O 3.43Å; T29-M54 HydrophobicContact CG2-SD 4.49Å
30	V	88.9	Confident	82.9	Confident	11 Å²	11	74.6 Å²	74.6	7%	0.067	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	127.4	172.9	-177.9	0	0	0	0	107.8	L24 V27 G32 Q33 W34 I36 M62 Y104	L24-V30 HydrophobicContact CD1-CG2 4.43Å; V27-V30 HydrophobicContact CG1-CG2 4.23Å; V30-G32 PolarHBondContact O-N 3.27Å; V30-Q33 PolarHBondContact O-N 2.88Å; V30-Q33 VanDerWaalsContact O-N 3.09Å; V30-W34 HydrophobicContact CB-CB 4.42Å; V30-W34 PolarHBondContact N-O 3.15Å; V30-W34 PolarHBondContact O-N 3.17Å; V30-I36 HydrophobicContact CG2-CD1 3.85Å; V30-I36 HydrophobicContact CG2-CG1 4.2Å; V30-M62 HydrophobicContact CB-CE 3.95Å; V30-M62 HydrophobicContact CB-SD 4.4Å; V30-M62 HydrophobicContact CG1-CE 4.15Å; V30-M62 HydrophobicContact CG2-CE 4.14Å; V30-M62 HydrophobicContact CG2-SD 3.97Å; V30-Y104 HydrophobicContact CG1-CD1 4.13Å; V30-Y104 HydrophobicContact CG1-CE1 3.57Å
31	D	88.3	Confident	83.8	Confident	73 Å²	73	75 Å²	75	39%	0.39	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	18.1	-178.8	-58.1	-35.2	0	0	0	116.3	Q33 S99 Y104	D31-Q33 PolarHBondContact O-N 2.71Å; D31-S99 WeakPolarHBondContact OD1-CB 3.44Å; D31-S99 PolarHBondContact OD1-OG 3.22Å; D31-S99 WeakPolarHBondContact OD2-CB 3.49Å; D31-Y104 WeakPolarHBondContact OD2-CE1 3.32Å; D31-Y104 VanDerWaalsContact OD2-CZ 3.29Å; D31-Y104 PolarHBondContact OD2-OH 3.04Å
32	G	88	Confident	84.5	Confident	54 Å²	54	75.6 Å²	75.6	56%	0.557	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	-1	-172.4	0	0	0	0	0	114.5	V30 M54	V30-G32 PolarHBondContact O-N 3.27Å; G32-M54 WeakPolarHBondContact O-CG 3.43Å
33	Q	92.3	Very high	85	Confident	100 Å²	100	76.6 Å²	76.6	47%	0.467	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-33.5	-178.2	-66.9	-179.5	1	0	0	112.5	V30 D31 A53 M54	V30-Q33 PolarHBondContact O-N 2.88Å; V30-Q33 VanDerWaalsContact O-N 3.09Å; D31-Q33 PolarHBondContact O-N 2.71Å; Q33-A53 CarbonylContact O-C 3.51Å; Q33-A53 WeakPolarHBondContact O-CA 3.27Å; Q33-M54 WeakPolarHBondContact O-CB 3.48Å; Q33-M54 WeakPolarHBondContact O-CG 3.49Å; Q33-M54 PolarHBondContact O-N 3.01Å
34	W	94.7	Very high	85.2	Confident	22 Å²	22	70.3 Å²	70.3	8%	0.083	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	117.9	-170	-56	105.2	0	0	0	111.7	T29 V30 V51 A53 F58 M62 A95 Y104 V106	T29-W34 CarbonylContact C-O 3.6Å; T29-W34 WeakPolarHBondContact CA-O 3.43Å; V30-W34 HydrophobicContact CB-CB 4.42Å; V30-W34 PolarHBondContact N-O 3.15Å; V30-W34 PolarHBondContact O-N 3.17Å; W34-V51 HydrophobicContact CB-CB 4.39Å; W34-V51 HydrophobicContact CE3-CG2 3.98Å; W34-A53 HydrophobicContact CE3-CB 4.22Å; W34-A53 HydrophobicContact CH2-CB 4.44Å; W34-A53 HydrophobicContact CZ3-CB 3.75Å; W34-F58 HydrophobicContact CH2-CD1 4.31Å; W34-F58 HydrophobicContact CH2-CE1 4.32Å; W34-F58 AromaticContact CZ3-CD1 3.88Å; W34-F58 HydrophobicContact CZ3-CD1 3.88Å; W34-F58 HydrophobicContact CZ3-CE1 4.04Å; W34-M62 HydrophobicContact CB-CE 3.57Å; W34-M62 HydrophobicContact CG-CE 3.66Å; W34-A95 HydrophobicContact CZ2-CB 3.97Å; W34-Y104 AromaticContact CD1-CE2 3.82Å; W34-Y104 AromaticContact NE1-CE2 3.87Å; W34-V106 HydrophobicContact CD2-CG2 3.91Å; W34-V106 HydrophobicContact CE3-CG1 4.26Å; W34-V106 HydrophobicContact CE3-CG2 4.28Å; W34-V106 HydrophobicContact CG-CG2 4.36Å; W34-V106 HydrophobicContact CH2-CB 4.27Å; W34-V106 HydrophobicContact CH2-CG1 3.92Å; W34-V106 HydrophobicContact CH2-CG2 4.37Å; W34-V106 HydrophobicContact CZ2-CB 4.22Å; W34-V106 HydrophobicContact CZ2-CG1 4.37Å; W34-V106 HydrophobicContact CZ2-CG2 4.01Å; W34-V106 HydrophobicContact CZ3-CG1 3.86Å; W34-V106 HydrophobicContact CZ3-CG2 4.49Å
35	K	94.9	Very high	85.5	Confident	116 Å²	116	73.3 Å²	73.3	50%	0.504	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	121.4	171.4	-174.9	176.7	178.7	179.8	0	110.5	K28 Q37 V51 T52 M54	K28-K35 WeakPolarHBondContact O-CA 3.47Å; K35-Q37 PolarHBondContact O-N 3.31Å; K35-V51 CarbonylContact O-C 3.53Å; K35-V51 WeakPolarHBondContact O-CA 3.39Å; K35-T52 PolarHBondContact N-O 2.91Å; K35-T52 PolarHBondContact O-N 3.12Å; K35-M54 HydrophobicContact CB-SD 3.74Å; K35-M54 HydrophobicContact CD-SD 4.44Å
36	I	93.1	Very high	86.5	Confident	28 Å²	28	66 Å²	66	14%	0.144	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	121.3	173.3	-61.1	-179.7	0	0	0	108.9	L24 V27 K28 V30 F49 V51	L24-I36 HydrophobicContact CB-CD1 4.19Å; L24-I36 HydrophobicContact CD1-CD1 4.1Å; V27-I36 HydrophobicContact CB-CD1 4.44Å; V27-I36 HydrophobicContact CG1-CD1 4.34Å; K28-I36 PolarHBondContact O-N 2.62Å; V30-I36 HydrophobicContact CG2-CD1 3.85Å; V30-I36 HydrophobicContact CG2-CG1 4.2Å; I36-F49 HydrophobicContact CG2-CB 4.23Å; I36-F49 HydrophobicContact CG2-CD1 3.89Å; I36-F49 HydrophobicContact CG2-CG 4.34Å; I36-V51 HydrophobicContact CG1-CG1 4.25Å
37	Q	92.5	Very high	87.4	Confident	102 Å²	102	62.4 Å²	62.4	48%	0.477	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-49.9	175.8	-64.6	-159.7	-29	0	0	111.8	K35 K50 T52	K35-Q37 PolarHBondContact O-N 3.31Å; Q37-K50 HydrophobicContact CB-CB 4.38Å; Q37-K50 HydrophobicContact CB-CG 4.38Å; Q37-K50 WeakPolarHBondContact CB-O 3.41Å; Q37-K50 PolarHBondContact N-O 2.95Å; Q37-K50 VanDerWaalsContact OE1-CE 3.23Å; Q37-T52 VanDerWaalsContact CD-OG1 3.23Å; Q37-T52 PolarHBondContact NE2-OG1 2.93Å
38	S	91.4	Very high	88.1	Confident	53 Å²	53	59.7 Å²	59.7	37%	0.371	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	155.8	-177.3	61	0	0	0	0	111.3	F49 K50	S38-F49 CarbonylContact O-C 3.6Å; S38-F49 VanDerWaalsContact O-CA 3.3Å; S38-F49 WeakPolarHBondContact O-CA 3.37Å; S38-K50 PolarHBondContact O-N 2.93Å
39	K	90.1	Very high	88.5	Confident	115 Å²	115	52.3 Å²	52.3	50%	0.5	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	127.2	168.8	-179.6	175.3	173.2	168.2	0	109.2	T42 T47 F49	K39-T42 WeakPolarHBondContact CE-OG1 3.45Å; K39-T42 PolarHBondContact NZ-OG1 2.95Å; K39-T47 HydrophobicContact CD-CG2 4.18Å; K39-T47 HydrophobicContact CG-CG2 4.04Å; K39-F49 HydrophobicContact CB-CD1 4.1Å; K39-F49 HydrophobicContact CB-CE1 4.15Å; K39-F49 HydrophobicContact CG-CD1 4.45Å; K39-F49 HydrophobicContact CG-CE1 4.24Å
40	I	90.6	Very high	88.8	Confident	66 Å²	66	52.2 Å²	52.2	34%	0.338	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	-54.9	179.7	-61.1	-55.3	0	0	0	110.7	V48 K50 Y61	I40-V48 HydrophobicContact CB-CB 4.31Å; I40-V48 HydrophobicContact CB-CG1 4.14Å; I40-V48 PolarHBondContact N-O 3.43Å; I40-K50 HydrophobicContact CD1-CB 3.95Å; I40-K50 HydrophobicContact CG1-CB 4.11Å; I40-Y61 HydrophobicContact CD1-CE1 4.09Å; I40-Y61 HydrophobicContact CG1-CD1 4.14Å; I40-Y61 HydrophobicContact CG1-CE1 3.85Å
41	K	87	Confident	89.1	Confident	87 Å²	87	51.7 Å²	51.7	38%	0.378	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	152.7	-176.6	-175.4	174	177.1	-176.8	0	110.5	V48	K41-V48 PolarHBondContact N-O 3.18Å; K41-V48 PolarHBondContact O-N 2.95Å
42	T	85.7	Confident	89.4	Confident	23 Å²	23	49.5 Å²	49.5	14%	0.141	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	138.7	164.2	-65.4	0	0	0	0	108.8	W19 V21 K39 L46 T47	W19-T42 HydrophobicContact CE3-CG2 3.51Å; W19-T42 HydrophobicContact CZ3-CG2 3.36Å; V21-T42 HydrophobicContact CB-CG2 4.09Å; V21-T42 HydrophobicContact CG1-CG2 3.77Å; V21-T42 HydrophobicContact CG2-CG2 3.6Å; K39-T42 WeakPolarHBondContact CE-OG1 3.45Å; K39-T42 PolarHBondContact NZ-OG1 2.95Å; T42-L46 WeakPolarHBondContact CA-O 3.49Å; T42-T47 WeakPolarHBondContact OG1-CG2 3.31Å; T42-T47 PolarHBondContact OG1-OG1 3.44Å
43	N	78.2	Confident	89.7	Confident	26 Å²	26	47.3 Å²	47.3	14%	0.139	23%	0.227	C	C	.	.			trans	-120.5	-171.5	167.4	65.4	46	0	0	0	109.3	V21 Y45 L46 V178	V21-N43 VanDerWaalsContact CG1-O 3.25Å; V21-N43 WeakPolarHBondContact CG1-O 3.44Å; N43-Y45 PolarHBondContact O-N 2.84Å; N43-Y45 VanDerWaalsContact O-N 3.15Å; N43-Y45 PolarHBondContact OD1-N 3.26Å; N43-L46 PolarHBondContact N-O 2.91Å; N43-L46 WeakPolarHBondContact OD1-CA 3.43Å; N43-L46 WeakPolarHBondContact OD1-CB 3.25Å; N43-L46 PolarHBondContact OD1-N 3.19Å; N43-L46 PolarHBondContact OD1-O 3.24Å; N43-V178 WeakPolarHBondContact ND2-CG2 3.25Å
44	D	73.9	Confident	89.8	Confident	56 Å²	56	47.7 Å²	47.7	30%	0.299	23%	0.23	S	C	.	.	S	Bend	trans	-59.3	-27.2	-174.1	-60.2	-3.1	0	0	0	114.3	F17	F17-D44 WeakPolarHBondContact CB-OD1 3.43Å; F17-D44 WeakPolarHBondContact CD1-OD1 3.24Å; F17-D44 WeakPolarHBondContact CD1-OD2 3.48Å; F17-D44 WeakPolarHBondContact CD2-OD1 3.18Å; F17-D44 WeakPolarHBondContact CG-OD1 3.48Å
45	Y	76.9	Confident	89.8	Confident	82 Å²	82	53.8 Å²	53.8	32%	0.322	26%	0.264	S	S	.	.	S	Bend	trans	-124	-20.8	-172	-54.9	-68.6	0	0	0	113.7	N43 E65 V73	N43-Y45 PolarHBondContact O-N 2.84Å; N43-Y45 VanDerWaalsContact O-N 3.15Å; N43-Y45 PolarHBondContact OD1-N 3.26Å; Y45-E65 WeakPolarHBondContact O-CB 3.48Å; Y45-V73 HydrophobicContact CD2-CG2 4.25Å; Y45-V73 HydrophobicContact CG-CG2 4.3Å
46	L	87.5	Confident	89.6	Confident	1 Å²	1	51 Å²	51	1%	0.005	26%	0.259	C	S	.	.			trans	-130.9	142.3	-170.3	-60.4	170.8	0	0	0	111.9	T42 N43 A64 E65 V73 L74 V178	T42-L46 WeakPolarHBondContact CA-O 3.49Å; N43-L46 PolarHBondContact N-O 2.91Å; N43-L46 WeakPolarHBondContact OD1-CA 3.43Å; N43-L46 WeakPolarHBondContact OD1-CB 3.25Å; N43-L46 PolarHBondContact OD1-N 3.19Å; N43-L46 PolarHBondContact OD1-O 3.24Å; L46-A64 WeakPolarHBondContact CA-O 3.49Å; L46-E65 HydrophobicContact CD2-CB 3.65Å; L46-E65 HydrophobicContact CD2-CG 4.25Å; L46-V73 HydrophobicContact CD1-CG1 3.77Å; L46-V73 HydrophobicContact CG-CG1 4.42Å; L46-L74 HydrophobicContact CD1-CD2 4.11Å; L46-L74 HydrophobicContact CD2-CD1 4.22Å; L46-L74 HydrophobicContact CD2-CD2 3.52Å; L46-L74 HydrophobicContact CD2-CG 3.65Å; L46-L74 HydrophobicContact CG-CD2 4.5Å; L46-V178 HydrophobicContact CD1-CB 4.23Å; L46-V178 HydrophobicContact CD1-CG2 3.97Å
47	T	89.9	Confident	89.4	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.012	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	133.5	156	-59.8	0	0	0	0	110.2	K39 T42 F49 A64	K39-T47 HydrophobicContact CD-CG2 4.18Å; K39-T47 HydrophobicContact CG-CG2 4.04Å; T42-T47 WeakPolarHBondContact OG1-CG2 3.31Å; T42-T47 PolarHBondContact OG1-OG1 3.44Å; T47-F49 HydrophobicContact CG2-CD1 4.42Å; T47-F49 HydrophobicContact CG2-CD2 4.07Å; T47-F49 HydrophobicContact CG2-CE1 3.78Å; T47-F49 HydrophobicContact CG2-CE2 3.34Å; T47-F49 HydrophobicContact CG2-CZ 3.18Å; T47-A64 PolarHBondContact N-O 3.44Å; T47-A64 PolarHBondContact O-N 3.49Å
48	V	92.7	Very high	89.4	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.006	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	127.9	177.8	-172.7	0	0	0	0	109.1	I40 K41 Y61 M62 K63 W175	I40-V48 HydrophobicContact CB-CB 4.31Å; I40-V48 HydrophobicContact CB-CG1 4.14Å; I40-V48 PolarHBondContact N-O 3.43Å; K41-V48 PolarHBondContact N-O 3.18Å; K41-V48 PolarHBondContact O-N 2.95Å; V48-Y61 HydrophobicContact CG1-CD2 4.28Å; V48-Y61 HydrophobicContact CG1-CG 4.15Å; V48-M62 CarbonylContact C-O 3.59Å; V48-M62 VanDerWaalsContact CA-O 3.29Å; V48-M62 WeakPolarHBondContact CA-O 3.32Å; V48-K63 HydrophobicContact CG1-CG 4.23Å; V48-K63 HydrophobicContact CG2-CG 4.06Å; V48-W175 HydrophobicContact CG1-CH2 4.05Å; V48-W175 HydrophobicContact CG1-CZ3 3.81Å; V48-W175 HydrophobicContact CG2-CH2 4.17Å; V48-W175 HydrophobicContact CG2-CZ3 4.16Å
49	F	93.3	Very high	89.4	Confident	12 Å²	12	51.9 Å²	51.9	5%	0.053	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	144.6	177.8	-57.5	-88.1	0	0	0	110	L24 I36 S38 K39 T47 V51 Y61 M62 A64	L24-F49 HydrophobicContact CB-CE1 4.31Å; L24-F49 HydrophobicContact CB-CE2 4.26Å; L24-F49 HydrophobicContact CB-CZ 3.76Å; L24-F49 HydrophobicContact CD1-CD2 4.19Å; L24-F49 HydrophobicContact CD1-CE2 3.64Å; L24-F49 HydrophobicContact CD1-CZ 4.04Å; L24-F49 HydrophobicContact CG-CE2 4.38Å; L24-F49 HydrophobicContact CG-CZ 4.34Å; I36-F49 HydrophobicContact CG2-CB 4.23Å; I36-F49 HydrophobicContact CG2-CD1 3.89Å; I36-F49 HydrophobicContact CG2-CG 4.34Å; S38-F49 CarbonylContact O-C 3.6Å; S38-F49 VanDerWaalsContact O-CA 3.3Å; S38-F49 WeakPolarHBondContact O-CA 3.37Å; K39-F49 HydrophobicContact CB-CD1 4.1Å; K39-F49 HydrophobicContact CB-CE1 4.15Å; K39-F49 HydrophobicContact CG-CD1 4.45Å; K39-F49 HydrophobicContact CG-CE1 4.24Å; T47-F49 HydrophobicContact CG2-CD1 4.42Å; T47-F49 HydrophobicContact CG2-CD2 4.07Å; T47-F49 HydrophobicContact CG2-CE1 3.78Å; T47-F49 HydrophobicContact CG2-CE2 3.34Å; T47-F49 HydrophobicContact CG2-CZ 3.18Å; F49-V51 HydrophobicContact CB-CG1 4.3Å; F49-Y61 CarbonylContact O-C 3.54Å; F49-Y61 VanDerWaalsContact O-CA 3.28Å; F49-Y61 WeakPolarHBondContact O-CA 3.42Å; F49-M62 HydrophobicContact CB-CB 4.45Å; F49-M62 PolarHBondContact N-O 2.97Å; F49-M62 PolarHBondContact O-N 3.23Å; F49-A64 HydrophobicContact CE2-CB 4.5Å
50	K	94.3	Very high	89.7	Confident	67 Å²	67	46.4 Å²	46.4	29%	0.291	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	129.3	162.6	-174	175.5	-177.5	-175.9	0	108.4	Q37 S38 I40 S59 Y61	Q37-K50 HydrophobicContact CB-CB 4.38Å; Q37-K50 HydrophobicContact CB-CG 4.38Å; Q37-K50 WeakPolarHBondContact CB-O 3.41Å; Q37-K50 PolarHBondContact N-O 2.95Å; Q37-K50 VanDerWaalsContact OE1-CE 3.23Å; S38-K50 PolarHBondContact O-N 2.93Å; I40-K50 HydrophobicContact CD1-CB 3.95Å; I40-K50 HydrophobicContact CG1-CB 4.11Å; K50-S59 VanDerWaalsContact CE-OG 3.28Å; K50-S59 WeakPolarHBondContact CE-OG 3.11Å; K50-Y61 HydrophobicContact CB-CD1 4.23Å; K50-Y61 HydrophobicContact CB-CE1 4.22Å; K50-Y61 HydrophobicContact CG-CD1 4.41Å; K50-Y61 HydrophobicContact CG-CE1 4.31Å
51	V	95.4	Very high	89.9	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	159	179.5	-60.9	0	0	0	0	111.6	W34 K35 I36 F49 S59 G60 M62 V106	W34-V51 HydrophobicContact CB-CB 4.39Å; W34-V51 HydrophobicContact CE3-CG2 3.98Å; K35-V51 CarbonylContact O-C 3.53Å; K35-V51 WeakPolarHBondContact O-CA 3.39Å; I36-V51 HydrophobicContact CG1-CG1 4.25Å; F49-V51 HydrophobicContact CB-CG1 4.3Å; V51-S59 VanDerWaalsContact O-CA 3.26Å; V51-S59 WeakPolarHBondContact O-CA 3.4Å; V51-S59 PolarHBondContact O-OG 3Å; V51-G60 PolarHBondContact N-O 2.96Å; V51-G60 PolarHBondContact O-N 3.45Å; V51-M62 HydrophobicContact CB-CB 4.4Å; V51-M62 HydrophobicContact CG1-CB 3.51Å; V51-M62 HydrophobicContact CG1-CE 4.12Å; V51-M62 HydrophobicContact CG1-CG 4.47Å; V51-M62 HydrophobicContact CG1-SD 4.22Å; V51-M62 HydrophobicContact CG2-CB 3.95Å; V51-V106 HydrophobicContact CG2-CG1 3.97Å; V51-V106 HydrophobicContact CG2-CG2 4.36Å
52	T	95.2	Very high	90.3	Very high	27 Å²	27	39.9 Å²	39.9	17%	0.166	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	136.9	168.3	-51.9	0	0	0	0	108.1	K35 Q37 F58	K35-T52 PolarHBondContact N-O 2.91Å; K35-T52 PolarHBondContact O-N 3.12Å; Q37-T52 VanDerWaalsContact CD-OG1 3.23Å; Q37-T52 PolarHBondContact NE2-OG1 2.93Å; T52-F58 CarbonylContact C-O 3.54Å; T52-F58 VanDerWaalsContact CA-O 3.32Å; T52-F58 WeakPolarHBondContact CA-O 3.5Å; T52-F58 WeakPolarHBondContact CG2-O 3.3Å
53	A	95.2	Very high	90.7	Very high	8 Å²	8	38.9 Å²	38.9	7%	0.066	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	145	171.4	0	0	0	0	0	110	Q33 W34 D55 S56 F58	Q33-A53 CarbonylContact O-C 3.51Å; Q33-A53 WeakPolarHBondContact O-CA 3.27Å; W34-A53 HydrophobicContact CE3-CB 4.22Å; W34-A53 HydrophobicContact CH2-CB 4.44Å; W34-A53 HydrophobicContact CZ3-CB 3.75Å; A53-D55 WeakPolarHBondContact CB-OD1 3.3Å; A53-S56 WeakPolarHBondContact CB-OG 3.43Å; A53-S56 VanDerWaalsContact O-O 3.07Å; A53-F58 HydrophobicContact CB-CB 4.24Å; A53-F58 HydrophobicContact CB-CD1 4.45Å; A53-F58 PolarHBondContact N-O 3.38Å
54	M	93.9	Very high	91.4	Very high	108 Å²	108	37.6 Å²	37.6	53%	0.532	21%	0.206	S	C	.	.	S	Bend	trans	-81.7	-22.4	179.2	-70.3	-69.1	-69	0	0	112.5	T29 G32 Q33 K35	T29-M54 HydrophobicContact CG2-SD 4.49Å; G32-M54 WeakPolarHBondContact O-CG 3.43Å; Q33-M54 WeakPolarHBondContact O-CB 3.48Å; Q33-M54 WeakPolarHBondContact O-CG 3.49Å; Q33-M54 PolarHBondContact O-N 3.01Å; K35-M54 HydrophobicContact CB-SD 3.74Å; K35-M54 HydrophobicContact CD-SD 4.44Å
55	D	93.3	Very high	92.1	Very high	149 Å²	149	35 Å²	35	80%	0.797	19%	0.192	S	C	*	.	S	Bend	trans	-100.9	-8.5	-175.5	63.8	-2.2	0	0	0	113.9	A53	A53-D55 WeakPolarHBondContact CB-OD1 3.3Å
56	S	92.3	Very high	92.6	Very high	58 Å²	58	33.3 Å²	33.3	41%	0.406	19%	0.185	S	C	.	.	S	Bend	trans	-149.8	169.9	-173.7	63	0	0	0	0	111.5	A53 F58	A53-S56 WeakPolarHBondContact CB-OG 3.43Å; A53-S56 VanDerWaalsContact O-O 3.07Å; S56-F58 PolarHBondContact O-N 3.17Å
57	S	88	Confident	92.5	Very high	124 Å²	124	34.5 Å²	34.5	87%	0.867	20%	0.195	S	C	*	.	S	Bend	trans	-79.2	4.5	175.9	60.2	0	0	0	0	113.5	S59	S57-S59 PolarHBondContact O-N 3.15Å
58	F	92.3	Very high	92.1	Very high	45 Å²	45	42.1 Å²	42.1	20%	0.197	23%	0.23	C	C	.	.			trans	-66.1	134	-175.6	173.6	-95.7	0	0	0	111.3	W34 T52 A53 S56 H94 V106	W34-F58 HydrophobicContact CH2-CD1 4.31Å; W34-F58 HydrophobicContact CH2-CE1 4.32Å; W34-F58 AromaticContact CZ3-CD1 3.88Å; W34-F58 HydrophobicContact CZ3-CD1 3.88Å; W34-F58 HydrophobicContact CZ3-CE1 4.04Å; T52-F58 CarbonylContact C-O 3.54Å; T52-F58 VanDerWaalsContact CA-O 3.32Å; T52-F58 WeakPolarHBondContact CA-O 3.5Å; T52-F58 WeakPolarHBondContact CG2-O 3.3Å; A53-F58 HydrophobicContact CB-CB 4.24Å; A53-F58 HydrophobicContact CB-CD1 4.45Å; A53-F58 PolarHBondContact N-O 3.38Å; S56-F58 PolarHBondContact O-N 3.17Å; F58-H94 HydrophobicContact CE1-CB 4.42Å; F58-H94 AromaticContact CE2-CD2 3.79Å; F58-H94 AromaticContact CE2-CE1 3.39Å; F58-H94 WeakPolarHBondContact CE2-CE1 3.13Å; F58-H94 AromaticContact CE2-ND1 3.92Å; F58-H94 AromaticContact CE2-NE2 3.28Å; F58-H94 VanDerWaalsContact CE2-NE2 3.28Å; F58-H94 WeakPolarHBondContact CE2-NE2 3.24Å; F58-H94 HydrophobicContact CZ-CB 4.4Å; F58-H94 AromaticContact CZ-CD2 3.33Å; F58-H94 WeakPolarHBondContact CZ-CD2 3.42Å; F58-H94 AromaticContact CZ-CE1 3.68Å; F58-H94 AromaticContact CZ-CG 3.61Å; F58-H94 AromaticContact CZ-ND1 3.82Å; F58-H94 AromaticContact CZ-NE2 3.36Å; F58-H94 WeakPolarHBondContact CZ-NE2 3.45Å; F58-V106 HydrophobicContact CE1-CG1 3.92Å
59	S	92.4	Very high	91.2	Very high	33 Å²	33	44.3 Å²	44.3	23%	0.231	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	134.6	171.2	-169.6	0	0	0	0	110.3	K50 V51 S57	K50-S59 VanDerWaalsContact CE-OG 3.28Å; K50-S59 WeakPolarHBondContact CE-OG 3.11Å; V51-S59 VanDerWaalsContact O-CA 3.26Å; V51-S59 WeakPolarHBondContact O-CA 3.4Å; V51-S59 PolarHBondContact O-OG 3Å; S57-S59 PolarHBondContact O-N 3.15Å
60	G	94.9	Very high	90	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	-178.1	-175.2	0	0	0	0	0	112	V51 V107 V110	V51-G60 PolarHBondContact N-O 2.96Å; V51-G60 PolarHBondContact O-N 3.45Å; G60-V107 CarbonylContact C-O 3.3Å; G60-V107 WeakPolarHBondContact CA-O 3.39Å; G60-V110 VanDerWaalsContact C-CG2 3.47Å
61	Y	95.7	Very high	88.8	Confident	16 Å²	16	51.4 Å²	51.4	6%	0.063	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	123.2	166.4	-71.7	-13.7	0	0	0	109.7	I40 V48 F49 K50 V106 V107 V110 G111 W175	I40-Y61 HydrophobicContact CD1-CE1 4.09Å; I40-Y61 HydrophobicContact CG1-CD1 4.14Å; I40-Y61 HydrophobicContact CG1-CE1 3.85Å; V48-Y61 HydrophobicContact CG1-CD2 4.28Å; V48-Y61 HydrophobicContact CG1-CG 4.15Å; F49-Y61 CarbonylContact O-C 3.54Å; F49-Y61 VanDerWaalsContact O-CA 3.28Å; F49-Y61 WeakPolarHBondContact O-CA 3.42Å; K50-Y61 HydrophobicContact CB-CD1 4.23Å; K50-Y61 HydrophobicContact CB-CE1 4.22Å; K50-Y61 HydrophobicContact CG-CD1 4.41Å; K50-Y61 HydrophobicContact CG-CE1 4.31Å; Y61-V106 WeakPolarHBondContact O-CA 3.11Å; Y61-V107 PolarHBondContact N-O 2.92Å; Y61-V107 PolarHBondContact O-N 3.11Å; Y61-V110 HydrophobicContact CD1-CB 4.03Å; Y61-V110 HydrophobicContact CD1-CG1 4.28Å; Y61-V110 HydrophobicContact CD1-CG2 3.44Å; Y61-V110 VanDerWaalsContact CD1-CG2 3.44Å; Y61-V110 HydrophobicContact CD2-CB 4Å; Y61-V110 HydrophobicContact CD2-CG1 3.69Å; Y61-V110 HydrophobicContact CD2-CG2 4.31Å; Y61-V110 HydrophobicContact CE1-CB 3.98Å; Y61-V110 HydrophobicContact CE1-CG2 3.56Å; Y61-V110 HydrophobicContact CE2-CB 3.97Å; Y61-V110 HydrophobicContact CE2-CG1 4.11Å; Y61-V110 HydrophobicContact CE2-CG2 4.43Å; Y61-V110 HydrophobicContact CG-CB 4.02Å; Y61-V110 HydrophobicContact CG-CG1 3.78Å; Y61-V110 HydrophobicContact CG-CG2 3.84Å; Y61-G111 PolarHBondContact OH-O 3.49Å; Y61-W175 HydrophobicContact CD2-CD2 4.15Å; Y61-W175 AromaticContact CD2-CE3 3.71Å; Y61-W175 HydrophobicContact CD2-CE3 3.71Å; Y61-W175 HydrophobicContact CD2-CH2 4.36Å; Y61-W175 AromaticContact CD2-CZ3 3.83Å; Y61-W175 HydrophobicContact CD2-CZ3 3.83Å; Y61-W175 HydrophobicContact CE2-CD2 4.28Å; Y61-W175 HydrophobicContact CE2-CE3 4.27Å; Y61-W175 HydrophobicContact CE2-CZ3 4.4Å
62	M	95.5	Very high	87.9	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	125.7	167.2	176.9	-179.6	-75.7	0	0	109	V30 W34 V48 F49 V51 Y104 I105 V106	V30-M62 HydrophobicContact CB-CE 3.95Å; V30-M62 HydrophobicContact CB-SD 4.4Å; V30-M62 HydrophobicContact CG1-CE 4.15Å; V30-M62 HydrophobicContact CG2-CE 4.14Å; V30-M62 HydrophobicContact CG2-SD 3.97Å; W34-M62 HydrophobicContact CB-CE 3.57Å; W34-M62 HydrophobicContact CG-CE 3.66Å; V48-M62 CarbonylContact C-O 3.59Å; V48-M62 VanDerWaalsContact CA-O 3.29Å; V48-M62 WeakPolarHBondContact CA-O 3.32Å; F49-M62 HydrophobicContact CB-CB 4.45Å; F49-M62 PolarHBondContact N-O 2.97Å; F49-M62 PolarHBondContact O-N 3.23Å; V51-M62 HydrophobicContact CB-CB 4.4Å; V51-M62 HydrophobicContact CG1-CB 3.51Å; V51-M62 HydrophobicContact CG1-CE 4.12Å; V51-M62 HydrophobicContact CG1-CG 4.47Å; V51-M62 HydrophobicContact CG1-SD 4.22Å; V51-M62 HydrophobicContact CG2-CB 3.95Å; M62-Y104 HydrophobicContact CE-CD2 3.6Å; M62-Y104 HydrophobicContact CE-CE2 3.63Å; M62-Y104 HydrophobicContact CE-CG 4.16Å; M62-Y104 HydrophobicContact CG-CD2 3.97Å; M62-Y104 HydrophobicContact CG-CG 4.19Å; M62-Y104 HydrophobicContact SD-CD2 4.14Å; M62-Y104 HydrophobicContact SD-CG 4.2Å; M62-I105 CarbonylContact C-O 3.53Å; M62-I105 WeakPolarHBondContact CA-O 3.37Å; M62-V106 HydrophobicContact CB-CG2 4.22Å; M62-V106 HydrophobicContact CE-CG2 4.01Å; M62-V106 HydrophobicContact CG-CG2 4.42Å
63	K	94.1	Very high	87.5	Confident	1 Å²	1	54.2 Å²	54.2	0%	0.004	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	124	172.6	-50.4	179.6	-171.2	152.8	0	108	V48 L74 E77 Y104 I105 W175	V48-K63 HydrophobicContact CG1-CG 4.23Å; V48-K63 HydrophobicContact CG2-CG 4.06Å; K63-L74 HydrophobicContact CB-CD2 3.86Å; K63-L74 WeakPolarHBondContact O-CD1 3.47Å; K63-E77 WeakPolarHBondContact CD-OE2 3.36Å; K63-E77 IonicContact NZ-OE1 3.2Å; K63-E77 PolarHBondContact NZ-OE1 3.49Å; K63-E77 IonicContact NZ-OE2 3.9Å; K63-E77 PolarHBondContact NZ-OE2 3.31Å; K63-Y104 CarbonylContact O-C 3.49Å; K63-Y104 WeakPolarHBondContact O-CA 3.46Å; K63-Y104 WeakPolarHBondContact O-CB 3.33Å; K63-I105 HydrophobicContact CB-CG1 3.94Å; K63-I105 HydrophobicContact CD-CD1 4.11Å; K63-I105 HydrophobicContact CD-CG1 4.29Å; K63-I105 HydrophobicContact CG-CG1 4.26Å; K63-I105 PolarHBondContact N-O 3.29Å; K63-I105 PolarHBondContact O-N 2.94Å; K63-W175 PolarHBondContact NZ-O 3.49Å
64	A	92.1	Very high	87.3	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	132.8	-172.8	0	0	0	0	0	111.7	P22 L24 L46 T47 F49 I102 R103	P22-A64 HydrophobicContact CG-CB 4.29Å; L24-A64 HydrophobicContact CD1-CB 4.38Å; L46-A64 WeakPolarHBondContact CA-O 3.49Å; T47-A64 PolarHBondContact N-O 3.44Å; T47-A64 PolarHBondContact O-N 3.49Å; F49-A64 HydrophobicContact CE2-CB 4.5Å; A64-I102 HydrophobicContact CB-CG2 3.82Å; A64-R103 CarbonylContact C-O 3.55Å; A64-R103 WeakPolarHBondContact CA-O 3.13Å
65	E	90.3	Very high	87.2	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	163.4	167.3	61.9	-170.9	-168.8	0	0	110.2	Y45 L46 L74 R103	Y45-E65 WeakPolarHBondContact O-CB 3.48Å; L46-E65 HydrophobicContact CD2-CB 3.65Å; L46-E65 HydrophobicContact CD2-CG 4.25Å; E65-L74 HydrophobicContact CG-CB 4.5Å; E65-L74 HydrophobicContact CG-CD1 3.72Å; E65-L74 HydrophobicContact CG-CG 3.88Å; E65-R103 HydrophobicContact CG-CB 4.21Å; E65-R103 PolarHBondContact N-O 3.19Å; E65-R103 PolarHBondContact O-N 3.29Å; E65-R103 VanDerWaalsContact O-O 3.11Å; E65-R103 WeakPolarHBondContact OE1-CD 3.46Å; E65-R103 IonicContact OE1-CZ 3.98Å; E65-R103 IonicContact OE1-NH1 3.01Å; E65-R103 PolarHBondContact OE1-NH1 2.89Å
66	Y	87.4	Confident	87.2	Confident	46 Å²	46	48.8 Å²	48.8	18%	0.18	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	130.6	167.6	-73.9	-65.7	0	0	0	110	I20 V21 P22 E68 H69 D101	I20-Y66 HydrophobicContact CG2-CD2 4Å; I20-Y66 HydrophobicContact CG2-CE2 4.3Å; V21-Y66 VanDerWaalsContact O-CE2 3.24Å; V21-Y66 WeakPolarHBondContact O-CE2 3.47Å; V21-Y66 PolarHBondContact O-OH 3.49Å; P22-Y66 HydrophobicContact CB-CE1 4.43Å; P22-Y66 HydrophobicContact CG-CD1 4.23Å; P22-Y66 HydrophobicContact CG-CD2 4.34Å; P22-Y66 HydrophobicContact CG-CE1 4.43Å; P22-Y66 HydrophobicContact CG-CG 4.2Å; Y66-E68 VanDerWaalsContact C-N 3.25Å; Y66-E68 PolarHBondContact O-N 3.47Å; Y66-H69 VanDerWaalsContact O-CB 3.28Å; Y66-H69 WeakPolarHBondContact O-CB 3.42Å; Y66-H69 PolarHBondContact O-N 3.22Å; Y66-D101 CarbonylContact C-O 3.52Å; Y66-D101 WeakPolarHBondContact CA-O 3.35Å; Y66-D101 WeakPolarHBondContact CE1-OD2 3.18Å
67	A	85	Confident	87.4	Confident	26 Å²	26	46 Å²	46	22%	0.215	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-30.7	-176.8	0	0	0	0	0	112.9	H69 T98 D101 R103	A67-H69 VanDerWaalsContact C-N 3.26Å; A67-H69 PolarHBondContact O-N 3.33Å; A67-T98 HydrophobicContact CB-CG2 3.96Å; A67-D101 PolarHBondContact N-O 3.12Å; A67-R103 HydrophobicContact CB-CB 4.25Å
68	E	81.2	Confident	87.8	Confident	163 Å²	163	41.3 Å²	41.3	76%	0.762	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-16.1	175.6	61.5	173	-164.6	0	0	113.6	Y66 K70	Y66-E68 VanDerWaalsContact C-N 3.25Å; Y66-E68 PolarHBondContact O-N 3.47Å; E68-K70 PolarHBondContact O-N 3.19Å
69	H	74	Confident	88	Confident	47 Å²	47	43.9 Å²	43.9	22%	0.218	21%	0.213	C	C	.	.			trans	-77.4	123.1	-173.5	-139.4	-93.3	0	0	0	110.6	I20 Y66 A67 S71	I20-H69 WeakPolarHBondContact CG2-NE2 3.3Å; Y66-H69 VanDerWaalsContact O-CB 3.28Å; Y66-H69 WeakPolarHBondContact O-CB 3.42Å; Y66-H69 PolarHBondContact O-N 3.22Å; A67-H69 VanDerWaalsContact C-N 3.26Å; A67-H69 PolarHBondContact O-N 3.33Å; H69-S71 PolarHBondContact O-N 2.94Å
70	K	67	Low	88.3	Confident	195 Å²	195	42.3 Å²	42.3	85%	0.848	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.5	11	-175.3	-63.5	-172.3	177.9	-176.9	0	115	E68 N72	E68-K70 PolarHBondContact O-N 3.19Å; K70-N72 PolarHBondContact O-N 3.38Å
71	S	69.4	Low	88.4	Confident	32 Å²	32	42.5 Å²	42.5	22%	0.224	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-16.4	-170.7	47.8	0	0	0	0	113.2	H69 V73	H69-S71 PolarHBondContact O-N 2.94Å; S71-V73 WeakPolarHBondContact O-CG2 3.31Å; S71-V73 PolarHBondContact O-N 3.49Å
72	N	76.5	Confident	88.5	Confident	79 Å²	79	44.3 Å²	44.3	42%	0.422	22%	0.218	S	C	.	.			trans	44.9	30.7	179.6	-65	4.2	0	0	0	113.1	K70 E75 M76	K70-N72 PolarHBondContact O-N 3.38Å; N72-E75 HydrophobicContact CB-CB 4.41Å; N72-E75 PolarHBondContact ND2-OE2 3.04Å; N72-M76 WeakPolarHBondContact O-CB 3.41Å; N72-M76 PolarHBondContact O-N 3.08Å
73	V	86.3	Confident	88.6	Confident	8 Å²	8	49.2 Å²	49.2	5%	0.048	24%	0.241	C	C	.	.	H	α-helix	trans	-75.8	-46.2	-172.2	178.7	0	0	0	0	109.3	Y45 L46 S71 E75 M76 E77 V178	Y45-V73 HydrophobicContact CD2-CG2 4.25Å; Y45-V73 HydrophobicContact CG-CG2 4.3Å; L46-V73 HydrophobicContact CD1-CG1 3.77Å; L46-V73 HydrophobicContact CG-CG1 4.42Å; S71-V73 WeakPolarHBondContact O-CG2 3.31Å; S71-V73 PolarHBondContact O-N 3.49Å; V73-E75 VanDerWaalsContact C-N 3.32Å; V73-E75 PolarHBondContact O-N 3.11Å; V73-M76 PolarHBondContact O-N 3.41Å; V73-E77 WeakPolarHBondContact O-CB 3.35Å; V73-E77 PolarHBondContact O-N 3.46Å; V73-V178 HydrophobicContact CG1-CB 4.22Å; V73-V178 HydrophobicContact CG1-CG2 3.82Å
74	L	91.8	Very high	88.8	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-64	-39.6	175.6	-70.9	-170.7	0	0	0	111.8	L46 K63 E65 M76 E77 V78 R103 I105	L46-L74 HydrophobicContact CD1-CD2 4.11Å; L46-L74 HydrophobicContact CD2-CD1 4.22Å; L46-L74 HydrophobicContact CD2-CD2 3.52Å; L46-L74 HydrophobicContact CD2-CG 3.65Å; L46-L74 HydrophobicContact CG-CD2 4.5Å; K63-L74 HydrophobicContact CB-CD2 3.86Å; K63-L74 WeakPolarHBondContact O-CD1 3.47Å; E65-L74 HydrophobicContact CG-CB 4.5Å; E65-L74 HydrophobicContact CG-CD1 3.72Å; E65-L74 HydrophobicContact CG-CG 3.88Å; L74-M76 VanDerWaalsContact C-N 3.34Å; L74-M76 PolarHBondContact O-N 3.12Å; L74-E77 CarbonylContact O-C 3.58Å; L74-E77 PolarHBondContact O-N 3.02Å; L74-E77 VanDerWaalsContact O-N 3.14Å; L74-V78 VanDerWaalsContact O-CG2 3.28Å; L74-V78 WeakPolarHBondContact O-CG2 3.28Å; L74-V78 PolarHBondContact O-N 3.27Å; L74-R103 HydrophobicContact CD1-CB 4.47Å; L74-R103 HydrophobicContact CD1-CG 4.06Å; L74-R103 VanDerWaalsContact CD1-O 3.28Å; L74-R103 WeakPolarHBondContact CD1-O 3.42Å; L74-I105 HydrophobicContact CB-CG2 4.47Å; L74-I105 HydrophobicContact CD2-CD1 4.06Å; L74-I105 HydrophobicContact CD2-CG1 3.92Å; L74-I105 HydrophobicContact CD2-CG2 4.49Å
75	E	92.4	Very high	89	Confident	97 Å²	97	55.9 Å²	55.9	45%	0.453	27%	0.272	S	S	.	.	H	α-helix	trans	-61.3	-43.2	177.5	-172.2	-178.7	-174.4	0	0	111.7	N72 V73 E77 V78 Y79	N72-E75 HydrophobicContact CB-CB 4.41Å; N72-E75 PolarHBondContact ND2-OE2 3.04Å; V73-E75 VanDerWaalsContact C-N 3.32Å; V73-E75 PolarHBondContact O-N 3.11Å; E75-E77 VanDerWaalsContact C-N 3.33Å; E75-E77 PolarHBondContact O-N 2.67Å; E75-V78 PolarHBondContact O-N 3.5Å; E75-Y79 PolarHBondContact O-N 3.3Å
76	M	93.8	Very high	89.1	Confident	53 Å²	53	67.7 Å²	67.7	26%	0.261	32%	0.317	S	S	.	.	H	α-helix	trans	-60.5	-44.1	172.7	-172.3	-154.4	-53.2	0	0	111.6	N72 V73 L74 Y79 I80 Y150 A180	N72-M76 WeakPolarHBondContact O-CB 3.41Å; N72-M76 PolarHBondContact O-N 3.08Å; V73-M76 PolarHBondContact O-N 3.41Å; L74-M76 VanDerWaalsContact C-N 3.34Å; L74-M76 PolarHBondContact O-N 3.12Å; M76-Y79 WeakPolarHBondContact O-CB 3.18Å; M76-Y79 PolarHBondContact O-N 2.93Å; M76-I80 HydrophobicContact CG-CD1 4.02Å; M76-I80 WeakPolarHBondContact O-CG1 3.2Å; M76-I80 PolarHBondContact O-N 3.02Å; M76-I80 HydrophobicContact SD-CD1 4.1Å; M76-Y150 HydrophobicContact CG-CE1 3.76Å; M76-Y150 HydrophobicContact SD-CD1 4.34Å; M76-Y150 HydrophobicContact SD-CE1 4.02Å; M76-A180 HydrophobicContact SD-CB 3.96Å
77	E	95.2	Very high	89.6	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-66.5	-39.2	-179.6	-174.4	154.4	-137.3	0	0	112	K63 V73 L74 E75 Y79 I80 L81 I105 F177	K63-E77 WeakPolarHBondContact CD-OE2 3.36Å; K63-E77 IonicContact NZ-OE1 3.2Å; K63-E77 PolarHBondContact NZ-OE1 3.49Å; K63-E77 IonicContact NZ-OE2 3.9Å; K63-E77 PolarHBondContact NZ-OE2 3.31Å; V73-E77 WeakPolarHBondContact O-CB 3.35Å; V73-E77 PolarHBondContact O-N 3.46Å; L74-E77 CarbonylContact O-C 3.58Å; L74-E77 PolarHBondContact O-N 3.02Å; L74-E77 VanDerWaalsContact O-N 3.14Å; E75-E77 VanDerWaalsContact C-N 3.33Å; E75-E77 PolarHBondContact O-N 2.67Å; E77-Y79 VanDerWaalsContact C-N 3.35Å; E77-I80 PolarHBondContact O-N 2.98Å; E77-L81 HydrophobicContact CG-CD1 4.01Å; E77-L81 HydrophobicContact CG-CG 4.38Å; E77-L81 WeakPolarHBondContact O-CB 3.48Å; E77-L81 VanDerWaalsContact O-CG 3.23Å; E77-L81 WeakPolarHBondContact O-CG 3.28Å; E77-L81 PolarHBondContact O-N 3.44Å; E77-I105 HydrophobicContact CB-CD1 4.4Å; E77-I105 HydrophobicContact CG-CD1 3.87Å; E77-F177 HydrophobicContact CB-CB 4.4Å; E77-F177 HydrophobicContact CG-CB 4.05Å; E77-F177 HydrophobicContact CG-CD2 4.06Å; E77-F177 WeakPolarHBondContact OE1-CD2 3.49Å; E77-F177 PolarHBondContact OE1-N 3.15Å
78	V	96.5	Very high	90.1	Very high	25 Å²	25	70 Å²	70	15%	0.152	33%	0.331	C	S	.	.	H	α-helix	trans	-58.9	-47	171.2	168.6	0	0	0	0	110.5	L74 E75 L81 S82 L93 Y96 I105	L74-V78 VanDerWaalsContact O-CG2 3.28Å; L74-V78 WeakPolarHBondContact O-CG2 3.28Å; L74-V78 PolarHBondContact O-N 3.27Å; E75-V78 PolarHBondContact O-N 3.5Å; V78-L81 PolarHBondContact O-N 3.04Å; V78-S82 WeakPolarHBondContact O-CB 3.18Å; V78-S82 PolarHBondContact O-N 2.67Å; V78-S82 PolarHBondContact O-OG 3.33Å; V78-L93 HydrophobicContact CB-CD2 4.32Å; V78-L93 HydrophobicContact CG1-CD2 3.82Å; V78-L93 HydrophobicContact CG2-CD1 4.32Å; V78-L93 HydrophobicContact CG2-CD2 4.09Å; V78-Y96 HydrophobicContact CG1-CD1 4.1Å; V78-Y96 HydrophobicContact CG2-CD1 3.98Å; V78-Y96 HydrophobicContact CG2-CD2 3.86Å; V78-Y96 HydrophobicContact CG2-CE1 4.35Å; V78-Y96 HydrophobicContact CG2-CE2 4.23Å; V78-Y96 HydrophobicContact CG2-CG 3.71Å; V78-I105 HydrophobicContact CG2-CG2 3.49Å; V78-I105 VanDerWaalsContact CG2-CG2 3.49Å
79	Y	96.8	Very high	90.8	Very high	100 Å²	100	62.5 Å²	62.5	39%	0.392	30%	0.296	S	S	.	.	H	α-helix	trans	-58.7	-52.7	177.2	176.4	-93.1	0	0	0	111.3	E75 M76 E77 L81 S82 Q83 Y150	E75-Y79 PolarHBondContact O-N 3.3Å; M76-Y79 WeakPolarHBondContact O-CB 3.18Å; M76-Y79 PolarHBondContact O-N 2.93Å; E77-Y79 VanDerWaalsContact C-N 3.35Å; Y79-L81 PolarHBondContact O-N 2.98Å; Y79-S82 PolarHBondContact O-N 3.26Å; Y79-S82 PolarHBondContact O-OG 2.75Å; Y79-Q83 HydrophobicContact CD1-CG 4.42Å; Y79-Q83 HydrophobicContact CE1-CG 3.96Å; Y79-Q83 HydrophobicContact CE2-CG 4.24Å; Y79-Q83 WeakPolarHBondContact O-CG 3.33Å; Y79-Q83 PolarHBondContact O-N 3Å; Y79-Q83 VanDerWaalsContact O-N 3.12Å; Y79-Y150 AromaticContact CD1-CE2 3.97Å; Y79-Y150 HydrophobicContact CD1-CE2 3.97Å; Y79-Y150 AromaticContact CD1-CZ 3.95Å; Y79-Y150 AromaticContact CE1-CE2 3.63Å; Y79-Y150 HydrophobicContact CE1-CE2 3.63Å
80	I	98.2	Very high	92	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-56.3	-49.5	179.7	-71	167.5	0	0	0	111.1	M76 E77 S82 Q83 L84 L145 I148 Y150 F177 A180	M76-I80 HydrophobicContact CG-CD1 4.02Å; M76-I80 WeakPolarHBondContact O-CG1 3.2Å; M76-I80 PolarHBondContact O-N 3.02Å; M76-I80 HydrophobicContact SD-CD1 4.1Å; E77-I80 PolarHBondContact O-N 2.98Å; I80-S82 VanDerWaalsContact C-N 3.32Å; I80-S82 PolarHBondContact O-N 3.22Å; I80-Q83 PolarHBondContact O-N 3.39Å; I80-L84 HydrophobicContact CG2-CD1 3.74Å; I80-L84 WeakPolarHBondContact O-CG 3.48Å; I80-L84 PolarHBondContact O-N 3.47Å; I80-L84 VanDerWaalsContact O-N 3.16Å; I80-L145 HydrophobicContact CG2-CD1 3.72Å; I80-I148 HydrophobicContact CB-CD1 4.44Å; I80-I148 HydrophobicContact CG1-CD1 4.41Å; I80-I148 HydrophobicContact CG2-CD1 4.17Å; I80-Y150 HydrophobicContact CD1-CD1 3.61Å; I80-Y150 HydrophobicContact CD1-CE1 3.99Å; I80-Y150 HydrophobicContact CD1-CG 4.04Å; I80-Y150 HydrophobicContact CG1-CD1 3.94Å; I80-Y150 HydrophobicContact CG1-CD2 4.29Å; I80-Y150 HydrophobicContact CG1-CE1 4.09Å; I80-Y150 HydrophobicContact CG1-CE2 4.49Å; I80-Y150 HydrophobicContact CG1-CG 4.03Å; I80-F177 HydrophobicContact CD1-CB 4.02Å; I80-F177 HydrophobicContact CD1-CD1 4.2Å; I80-F177 HydrophobicContact CD1-CG 4.25Å; I80-F177 HydrophobicContact CG2-CD1 3.85Å; I80-F177 HydrophobicContact CG2-CD2 4.29Å; I80-F177 HydrophobicContact CG2-CE1 3.93Å; I80-F177 HydrophobicContact CG2-CE2 4.39Å; I80-F177 HydrophobicContact CG2-CG 4.04Å; I80-F177 HydrophobicContact CG2-CZ 4.22Å; I80-A180 HydrophobicContact CD1-CB 3.66Å
81	L	98	Very high	93.3	Very high	4 Å²	4	51.2 Å²	51.2	2%	0.021	25%	0.246	C	C	.	.	H	α-helix	trans	-65.6	-34.9	-179	-68.2	176.5	0	0	0	112.2	E77 V78 Y79 Q83 L84 E85 C91 L93 I105 V107 F177	E77-L81 HydrophobicContact CG-CD1 4.01Å; E77-L81 HydrophobicContact CG-CG 4.38Å; E77-L81 WeakPolarHBondContact O-CB 3.48Å; E77-L81 VanDerWaalsContact O-CG 3.23Å; E77-L81 WeakPolarHBondContact O-CG 3.28Å; E77-L81 PolarHBondContact O-N 3.44Å; V78-L81 PolarHBondContact O-N 3.04Å; Y79-L81 PolarHBondContact O-N 2.98Å; L81-Q83 VanDerWaalsContact C-N 3.33Å; L81-Q83 PolarHBondContact O-N 3.33Å; L81-L84 CarbonylContact O-C 3.49Å; L81-L84 PolarHBondContact O-N 2.95Å; L81-E85 PolarHBondContact O-N 3.09Å; L81-C91 WeakPolarHBondContact CD2-O 3.3Å; L81-L93 HydrophobicContact CB-CB 4.46Å; L81-L93 HydrophobicContact CD1-CD1 4.47Å; L81-I105 HydrophobicContact CD1-CD1 4.47Å; L81-V107 HydrophobicContact CD1-CG1 3.61Å; L81-F177 HydrophobicContact CD2-CD2 4.19Å; L81-F177 HydrophobicContact CD2-CE2 3.68Å; L81-F177 HydrophobicContact CG-CE2 4.46Å
82	S	97.7	Very high	94.6	Very high	53 Å²	53	51.9 Å²	51.9	37%	0.371	25%	0.249	S	C	.	.	H	α-helix	trans	-64.4	-37	175.5	76.9	0	0	0	0	112.4	V78 Y79 I80 L84	V78-S82 WeakPolarHBondContact O-CB 3.18Å; V78-S82 PolarHBondContact O-N 2.67Å; V78-S82 PolarHBondContact O-OG 3.33Å; Y79-S82 PolarHBondContact O-N 3.26Å; Y79-S82 PolarHBondContact O-OG 2.75Å; I80-S82 VanDerWaalsContact C-N 3.32Å; I80-S82 PolarHBondContact O-N 3.22Å; S82-L84 VanDerWaalsContact C-N 3.31Å
83	Q	97.8	Very high	95.5	Very high	104 Å²	104	50.6 Å²	50.6	49%	0.486	24%	0.242	S	C	.	.	H	α-helix	trans	-74.7	-23.5	177.9	-61.7	-55.5	-73.5	0	0	112.5	Y79 I80 L81 I148	Y79-Q83 HydrophobicContact CD1-CG 4.42Å; Y79-Q83 HydrophobicContact CE1-CG 3.96Å; Y79-Q83 HydrophobicContact CE2-CG 4.24Å; Y79-Q83 WeakPolarHBondContact O-CG 3.33Å; Y79-Q83 PolarHBondContact O-N 3Å; Y79-Q83 VanDerWaalsContact O-N 3.12Å; I80-Q83 PolarHBondContact O-N 3.39Å; L81-Q83 VanDerWaalsContact C-N 3.33Å; L81-Q83 PolarHBondContact O-N 3.33Å; Q83-I148 HydrophobicContact CB-CB 4.45Å; Q83-I148 HydrophobicContact CB-CD1 3.96Å; Q83-I148 HydrophobicContact CB-CG2 4.03Å
84	L	97.9	Very high	96	Very high	10 Å²	10	54.5 Å²	54.5	5%	0.052	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	12.9	-175.5	-62.6	169.9	0	0	0	113.2	I80 L81 S82 R86 H87 F90 A144 L145 I148	I80-L84 HydrophobicContact CG2-CD1 3.74Å; I80-L84 WeakPolarHBondContact O-CG 3.48Å; I80-L84 PolarHBondContact O-N 3.47Å; I80-L84 VanDerWaalsContact O-N 3.16Å; L81-L84 CarbonylContact O-C 3.49Å; L81-L84 PolarHBondContact O-N 2.95Å; S82-L84 VanDerWaalsContact C-N 3.31Å; L84-R86 PolarHBondContact O-N 3.46Å; L84-R86 VanDerWaalsContact O-N 3.11Å; L84-H87 WeakPolarHBondContact O-CB 3.48Å; L84-H87 PolarHBondContact O-N 2.86Å; L84-F90 HydrophobicContact CB-CB 4.36Å; L84-F90 HydrophobicContact CB-CD2 3.79Å; L84-F90 HydrophobicContact CB-CE2 4.22Å; L84-F90 HydrophobicContact CB-CG 4.02Å; L84-F90 HydrophobicContact CD1-CD1 4.05Å; L84-F90 HydrophobicContact CD1-CD2 4.02Å; L84-F90 HydrophobicContact CD1-CE1 3.8Å; L84-F90 HydrophobicContact CD1-CE2 3.78Å; L84-F90 HydrophobicContact CD1-CG 4.11Å; L84-F90 HydrophobicContact CD1-CZ 3.63Å; L84-F90 HydrophobicContact CD2-CD2 4.35Å; L84-F90 HydrophobicContact CD2-CE2 3.95Å; L84-F90 HydrophobicContact CD2-CZ 4.44Å; L84-F90 HydrophobicContact CG-CD2 4.27Å; L84-F90 HydrophobicContact CG-CE2 4.2Å; L84-A144 HydrophobicContact CD2-CB 3.97Å; L84-L145 HydrophobicContact CD1-CD1 4Å; L84-I148 HydrophobicContact CD1-CD1 3.89Å; L84-I148 HydrophobicContact CD2-CD1 4.35Å; L84-I148 HydrophobicContact CD2-CG2 4.15Å; L84-I148 HydrophobicContact CG-CD1 3.94Å
85	E	95	Very high	96.1	Very high	131 Å²	131	55 Å²	55	61%	0.612	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-33.7	-172.9	-174.2	-179.1	-169.6	0	0	113.3	L81 H87	L81-E85 PolarHBondContact O-N 3.09Å; E85-H87 VanDerWaalsContact C-N 3.35Å
86	R	93.5	Very high	96.3	Very high	248 Å²	248	54.5 Å²	54.5	94%	0.936	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-6.4	-179.5	-64.3	-175.6	179	-177.7	-0.1	114.2	L84	L84-R86 PolarHBondContact O-N 3.46Å; L84-R86 VanDerWaalsContact O-N 3.11Å
87	H	97.4	Very high	96.3	Very high	39 Å²	39	56.5 Å²	56.5	18%	0.181	27%	0.267	C	S	.	.			trans	-96	119.5	-173.1	-171.7	-57.2	0	0	0	110.4	L84 E85 N89 F90 D140 A144	L84-H87 WeakPolarHBondContact O-CB 3.48Å; L84-H87 PolarHBondContact O-N 2.86Å; E85-H87 VanDerWaalsContact C-N 3.35Å; H87-N89 PolarHBondContact CE1-OD1 3.14Å; H87-N89 PolarHBondContact ND1-N 3.46Å; H87-N89 PolarHBondContact O-N 2.97Å; H87-N89 VanDerWaalsContact O-N 3.11Å; H87-F90 HydrophobicContact CB-CD2 3.71Å; H87-F90 HydrophobicContact CB-CE2 4.16Å; H87-F90 AromaticContact CE1-CE2 3.98Å; H87-F90 AromaticContact CG-CD2 3.62Å; H87-F90 AromaticContact CG-CE2 3.67Å; H87-F90 AromaticContact ND1-CD2 3.43Å; H87-F90 WeakPolarHBondContact ND1-CD2 3.41Å; H87-F90 AromaticContact ND1-CE2 3.5Å; H87-F90 WeakPolarHBondContact ND1-CE2 3.25Å; H87-F90 PolarHBondContact O-N 3.2Å; H87-F90 VanDerWaalsContact O-N 3.15Å; H87-D140 IonicContact CE1-OD2 3.48Å; H87-D140 PolarHBondContact CE1-OD2 3.29Å; H87-D140 IonicContact NE2-OD2 3.74Å; H87-D140 PolarHBondContact NE2-OD2 3.11Å; H87-A144 VanDerWaalsContact CD2-CB 3.41Å; H87-A144 WeakPolarHBondContact CD2-CB 3.08Å
88	T	94.9	Very high	96.1	Very high	82 Å²	82	60.4 Å²	60.4	50%	0.503	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-23.6	-169.1	44.8	0	0	0	0	114.3	F90 I171 R173	T88-F90 PolarHBondContact O-N 3.28Å; T88-I171 VanDerWaalsContact O-CG2 3.24Å; T88-I171 WeakPolarHBondContact O-CG2 3.48Å; T88-R173 PolarHBondContact O-NH1 2.93Å
89	N	97.5	Very high	95.7	Very high	5 Å²	5	61 Å²	61	3%	0.027	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	15.1	179.5	-56.1	87.7	0	0	0	114.4	H87 Q137 A141 V172 R173 I174	H87-N89 PolarHBondContact CE1-OD1 3.14Å; H87-N89 PolarHBondContact ND1-N 3.46Å; H87-N89 PolarHBondContact O-N 2.97Å; H87-N89 VanDerWaalsContact O-N 3.11Å; N89-Q137 PolarHBondContact ND2-OE1 2.8Å; N89-A141 HydrophobicContact CB-CB 3.68Å; N89-V172 WeakPolarHBondContact CB-O 3.45Å; N89-V172 PolarHBondContact ND2-O 2.54Å; N89-R173 CarbonylContact O-C 3.56Å; N89-R173 WeakPolarHBondContact O-CA 3.35Å; N89-I174 PolarHBondContact O-N 3.39Å
90	F	97.6	Very high	95.1	Very high	2 Å²	2	59.8 Å²	59.8	1%	0.009	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-124.7	152.3	173.8	-62.8	-73.8	0	0	0	111.4	L84 H87 T88 A141 A144 L145 R173 I174 F177	L84-F90 HydrophobicContact CB-CB 4.36Å; L84-F90 HydrophobicContact CB-CD2 3.79Å; L84-F90 HydrophobicContact CB-CE2 4.22Å; L84-F90 HydrophobicContact CB-CG 4.02Å; L84-F90 HydrophobicContact CD1-CD1 4.05Å; L84-F90 HydrophobicContact CD1-CD2 4.02Å; L84-F90 HydrophobicContact CD1-CE1 3.8Å; L84-F90 HydrophobicContact CD1-CE2 3.78Å; L84-F90 HydrophobicContact CD1-CG 4.11Å; L84-F90 HydrophobicContact CD1-CZ 3.63Å; L84-F90 HydrophobicContact CD2-CD2 4.35Å; L84-F90 HydrophobicContact CD2-CE2 3.95Å; L84-F90 HydrophobicContact CD2-CZ 4.44Å; L84-F90 HydrophobicContact CG-CD2 4.27Å; L84-F90 HydrophobicContact CG-CE2 4.2Å; H87-F90 HydrophobicContact CB-CD2 3.71Å; H87-F90 HydrophobicContact CB-CE2 4.16Å; H87-F90 AromaticContact CE1-CE2 3.98Å; H87-F90 AromaticContact CG-CD2 3.62Å; H87-F90 AromaticContact CG-CE2 3.67Å; H87-F90 AromaticContact ND1-CD2 3.43Å; H87-F90 WeakPolarHBondContact ND1-CD2 3.41Å; H87-F90 AromaticContact ND1-CE2 3.5Å; H87-F90 WeakPolarHBondContact ND1-CE2 3.25Å; H87-F90 PolarHBondContact O-N 3.2Å; H87-F90 VanDerWaalsContact O-N 3.15Å; T88-F90 PolarHBondContact O-N 3.28Å; F90-A141 HydrophobicContact CE2-CB 4.19Å; F90-A141 HydrophobicContact CZ-CB 3.91Å; F90-A141 VanDerWaalsContact CZ-O 3.25Å; F90-A141 WeakPolarHBondContact CZ-O 3.39Å; F90-A144 HydrophobicContact CE2-CB 4.16Å; F90-L145 HydrophobicContact CZ-CB 4.32Å; F90-R173 PolarHBondContact O-NH1 3.19Å; F90-I174 HydrophobicContact CD1-CB 4.14Å; F90-I174 HydrophobicContact CE1-CB 4Å; F90-I174 HydrophobicContact CE1-CD1 4.18Å; F90-I174 HydrophobicContact CE1-CG2 4.47Å; F90-F177 HydrophobicContact CD1-CE1 4.44Å; F90-F177 HydrophobicContact CD1-CE2 4.35Å; F90-F177 AromaticContact CD1-CZ 3.56Å; F90-F177 HydrophobicContact CD1-CZ 3.56Å; F90-F177 HydrophobicContact CE1-CE1 4.1Å; F90-F177 AromaticContact CE1-CZ 3.65Å; F90-F177 HydrophobicContact CE1-CZ 3.65Å
91	C	95.7	Very high	94.6	Very high	3 Å²	3	64.4 Å²	64.4	2%	0.02	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-72.8	149.5	171.4	-65.1	0	0	0	0	110.7	L81 V107 G108	L81-C91 WeakPolarHBondContact CD2-O 3.3Å; C91-V107 HydrophobicContact CB-CB 4.07Å; C91-V107 HydrophobicContact CB-CG2 4.41Å; C91-G108 CarbonylContact C-O 3.52Å
92	T	95.3	Very high	94.1	Very high	47 Å²	47	65.1 Å²	65.1	29%	0.288	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	141.4	170	-53.9	0	0	0	0	110.2	H94 V107 G108	T92-H94 PolarHBondContact O-CD2 3.41Å; T92-H94 VanDerWaalsContact O-CD2 3.31Å; T92-V107 VanDerWaalsContact O-CA 3.25Å; T92-V107 WeakPolarHBondContact O-CA 3.27Å; T92-G108 PolarHBondContact N-O 2.94Å; T92-G108 PolarHBondContact O-N 3.33Å
93	L	96.6	Very high	93.8	Very high	52 Å²	52	64.6 Å²	64.6	27%	0.272	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	121.7	170.7	-177.1	70.2	0	0	0	109.3	V78 L81 A95 I105 V107	V78-L93 HydrophobicContact CB-CD2 4.32Å; V78-L93 HydrophobicContact CG1-CD2 3.82Å; V78-L93 HydrophobicContact CG2-CD1 4.32Å; V78-L93 HydrophobicContact CG2-CD2 4.09Å; L81-L93 HydrophobicContact CB-CB 4.46Å; L81-L93 HydrophobicContact CD1-CD1 4.47Å; L93-A95 WeakPolarHBondContact CD1-O 3.34Å; L93-I105 HydrophobicContact CD1-CB 3.76Å; L93-I105 HydrophobicContact CD1-CD1 4.26Å; L93-I105 HydrophobicContact CD1-CG2 3.99Å; L93-V107 HydrophobicContact CD1-CG1 4.11Å
94	H	95.4	Very high	93.6	Very high	89 Å²	89	59.7 Å²	59.7	41%	0.412	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	-25.8	-179.5	-72.8	-92.9	0	0	0	113.5	F58 T92 V106	F58-H94 HydrophobicContact CE1-CB 4.42Å; F58-H94 AromaticContact CE2-CD2 3.79Å; F58-H94 AromaticContact CE2-CE1 3.39Å; F58-H94 WeakPolarHBondContact CE2-CE1 3.13Å; F58-H94 AromaticContact CE2-ND1 3.92Å; F58-H94 AromaticContact CE2-NE2 3.28Å; F58-H94 VanDerWaalsContact CE2-NE2 3.28Å; F58-H94 WeakPolarHBondContact CE2-NE2 3.24Å; F58-H94 HydrophobicContact CZ-CB 4.4Å; F58-H94 AromaticContact CZ-CD2 3.33Å; F58-H94 WeakPolarHBondContact CZ-CD2 3.42Å; F58-H94 AromaticContact CZ-CE1 3.68Å; F58-H94 AromaticContact CZ-CG 3.61Å; F58-H94 AromaticContact CZ-ND1 3.82Å; F58-H94 AromaticContact CZ-NE2 3.36Å; F58-H94 WeakPolarHBondContact CZ-NE2 3.45Å; T92-H94 PolarHBondContact O-CD2 3.41Å; T92-H94 VanDerWaalsContact O-CD2 3.31Å; H94-V106 HydrophobicContact CB-CB 4.4Å; H94-V106 HydrophobicContact CB-CG1 4.36Å; H94-V106 PolarHBondContact N-O 2.95Å
95	A	95.4	Very high	93.6	Very high	10 Å²	10	59.2 Å²	59.2	8%	0.083	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	147.5	177.5	0	0	0	0	0	109.9	W34 L93 E97 I105 V106	W34-A95 HydrophobicContact CZ2-CB 3.97Å; L93-A95 WeakPolarHBondContact CD1-O 3.34Å; A95-E97 HydrophobicContact CB-CG 4.37Å; A95-I105 CarbonylContact O-C 3.46Å; A95-I105 WeakPolarHBondContact O-CA 3.43Å; A95-I105 WeakPolarHBondContact O-CB 3.37Å; A95-V106 HydrophobicContact CB-CB 4.01Å; A95-V106 HydrophobicContact CB-CG2 4.09Å; A95-V106 PolarHBondContact N-O 3.44Å; A95-V106 PolarHBondContact O-N 2.87Å
96	Y	95.3	Very high	93.7	Very high	88 Å²	88	53 Å²	53	35%	0.345	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	101.5	166	173.7	-140.5	0	0	0	108.2	V78 R103 Y104 I105	V78-Y96 HydrophobicContact CG1-CD1 4.1Å; V78-Y96 HydrophobicContact CG2-CD1 3.98Å; V78-Y96 HydrophobicContact CG2-CD2 3.86Å; V78-Y96 HydrophobicContact CG2-CE1 4.35Å; V78-Y96 HydrophobicContact CG2-CE2 4.23Å; V78-Y96 HydrophobicContact CG2-CG 3.71Å; Y96-R103 HydrophobicContact CD2-CG 4.49Å; Y96-R103 HydrophobicContact CE2-CG 3.7Å; Y96-Y104 WeakPolarHBondContact CA-O 3.47Å; Y96-I105 HydrophobicContact CD2-CG2 3.56Å; Y96-I105 HydrophobicContact CE2-CG2 4.36Å; Y96-I105 HydrophobicContact CG-CG2 4.16Å
97	E	94.3	Very high	93.8	Very high	95 Å²	95	41.1 Å²	41.1	44%	0.444	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	163.5	-166.5	-62.7	-62.2	166.9	0	0	111.5	A95 R103 Y104	A95-E97 HydrophobicContact CB-CG 4.37Å; E97-R103 WeakPolarHBondContact O-CA 3.5Å; E97-Y104 HydrophobicContact CB-CD1 4.44Å; E97-Y104 HydrophobicContact CB-CE1 3.81Å; E97-Y104 HydrophobicContact CB-CE2 4.06Å; E97-Y104 HydrophobicContact CG-CE2 4.41Å; E97-Y104 PolarHBondContact N-O 3.11Å; E97-Y104 PolarHBondContact O-N 3.45Å
98	T	91.3	Very high	93.7	Very high	81 Å²	81	39.3 Å²	39.3	50%	0.497	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	122.5	170.3	-58.9	0	0	0	0	109.2	A67 I102	A67-T98 HydrophobicContact CB-CG2 3.96Å; T98-I102 CarbonylContact C-O 3.55Å; T98-I102 WeakPolarHBondContact CA-O 3.43Å
99	S	87.3	Confident	93.6	Very high	39 Å²	39	37 Å²	37	27%	0.273	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	110	179.2	-175.5	0	0	0	0	109.7	D31 D101 I102	D31-S99 WeakPolarHBondContact OD1-CB 3.44Å; D31-S99 PolarHBondContact OD1-OG 3.22Å; D31-S99 WeakPolarHBondContact OD2-CB 3.49Å; S99-D101 PolarHBondContact O-N 3.35Å; S99-I102 PolarHBondContact N-O 3.21Å; S99-I102 PolarHBondContact O-N 2.99Å
100	G	85.9	Confident	93.2	Very high	74 Å²	74	36.9 Å²	36.9	76%	0.763	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.3	-121.7	-172.9	0	0	0	0	0	111.7	I102	G100-I102 VanDerWaalsContact C-N 3.34Å
101	D	86.3	Confident	92.9	Very high	96 Å²	96	37.3 Å²	37.3	51%	0.513	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	4.6	178.4	65.5	-34.6	0	0	0	113.4	Y66 A67 S99	Y66-D101 CarbonylContact C-O 3.52Å; Y66-D101 WeakPolarHBondContact CA-O 3.35Å; Y66-D101 WeakPolarHBondContact CE1-OD2 3.18Å; A67-D101 PolarHBondContact N-O 3.12Å; S99-D101 PolarHBondContact O-N 3.35Å
102	I	88.6	Confident	92.8	Very high	19 Å²	19	40.1 Å²	40.1	10%	0.097	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	126.2	-174.9	-60	175.2	0	0	0	110	P22 L24 A64 T98 S99 G100	P22-I102 HydrophobicContact CB-CD1 3.9Å; P22-I102 HydrophobicContact CB-CG1 4.01Å; P22-I102 HydrophobicContact CB-CG2 4.4Å; P22-I102 HydrophobicContact CG-CG1 4.31Å; P22-I102 HydrophobicContact CG-CG2 4.3Å; L24-I102 HydrophobicContact CD1-CD1 4.39Å; L24-I102 HydrophobicContact CD2-CD1 3.29Å; L24-I102 HydrophobicContact CG-CD1 3.84Å; A64-I102 HydrophobicContact CB-CG2 3.82Å; T98-I102 CarbonylContact C-O 3.55Å; T98-I102 WeakPolarHBondContact CA-O 3.43Å; S99-I102 PolarHBondContact N-O 3.21Å; S99-I102 PolarHBondContact O-N 2.99Å; G100-I102 VanDerWaalsContact C-N 3.34Å
103	R	91.4	Very high	92.8	Very high	43 Å²	43	38.3 Å²	38.3	16%	0.162	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	134.8	165.7	-179.4	-170.5	-71.2	151.4	1.7	108.4	A64 E65 A67 L74 Y96 E97	A64-R103 CarbonylContact C-O 3.55Å; A64-R103 WeakPolarHBondContact CA-O 3.13Å; E65-R103 HydrophobicContact CG-CB 4.21Å; E65-R103 PolarHBondContact N-O 3.19Å; E65-R103 PolarHBondContact O-N 3.29Å; E65-R103 VanDerWaalsContact O-O 3.11Å; E65-R103 WeakPolarHBondContact OE1-CD 3.46Å; E65-R103 IonicContact OE1-CZ 3.98Å; E65-R103 IonicContact OE1-NH1 3.01Å; E65-R103 PolarHBondContact OE1-NH1 2.89Å; A67-R103 HydrophobicContact CB-CB 4.25Å; L74-R103 HydrophobicContact CD1-CB 4.47Å; L74-R103 HydrophobicContact CD1-CG 4.06Å; L74-R103 VanDerWaalsContact CD1-O 3.28Å; L74-R103 WeakPolarHBondContact CD1-O 3.42Å; Y96-R103 HydrophobicContact CD2-CG 4.49Å; Y96-R103 HydrophobicContact CE2-CG 3.7Å; E97-R103 WeakPolarHBondContact O-CA 3.5Å
104	Y	93.9	Very high	92.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	155.6	177.8	69.7	-91	0	0	0	113.3	V30 D31 W34 M62 K63 Y96 E97 V106	V30-Y104 HydrophobicContact CG1-CD1 4.13Å; V30-Y104 HydrophobicContact CG1-CE1 3.57Å; D31-Y104 WeakPolarHBondContact OD2-CE1 3.32Å; D31-Y104 VanDerWaalsContact OD2-CZ 3.29Å; D31-Y104 PolarHBondContact OD2-OH 3.04Å; W34-Y104 AromaticContact CD1-CE2 3.82Å; W34-Y104 AromaticContact NE1-CE2 3.87Å; M62-Y104 HydrophobicContact CE-CD2 3.6Å; M62-Y104 HydrophobicContact CE-CE2 3.63Å; M62-Y104 HydrophobicContact CE-CG 4.16Å; M62-Y104 HydrophobicContact CG-CD2 3.97Å; M62-Y104 HydrophobicContact CG-CG 4.19Å; M62-Y104 HydrophobicContact SD-CD2 4.14Å; M62-Y104 HydrophobicContact SD-CG 4.2Å; K63-Y104 CarbonylContact O-C 3.49Å; K63-Y104 WeakPolarHBondContact O-CA 3.46Å; K63-Y104 WeakPolarHBondContact O-CB 3.33Å; Y96-Y104 WeakPolarHBondContact CA-O 3.47Å; E97-Y104 HydrophobicContact CB-CD1 4.44Å; E97-Y104 HydrophobicContact CB-CE1 3.81Å; E97-Y104 HydrophobicContact CB-CE2 4.06Å; E97-Y104 HydrophobicContact CG-CE2 4.41Å; E97-Y104 PolarHBondContact N-O 3.11Å; E97-Y104 PolarHBondContact O-N 3.45Å; Y104-V106 HydrophobicContact CD2-CG2 4.07Å; Y104-V106 HydrophobicContact CE2-CG2 4.07Å
105	I	96.2	Very high	92.9	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	153.1	164.4	66	175.3	0	0	0	110.2	M62 K63 L74 E77 V78 L81 L93 A95 Y96 V107	M62-I105 CarbonylContact C-O 3.53Å; M62-I105 WeakPolarHBondContact CA-O 3.37Å; K63-I105 HydrophobicContact CB-CG1 3.94Å; K63-I105 HydrophobicContact CD-CD1 4.11Å; K63-I105 HydrophobicContact CD-CG1 4.29Å; K63-I105 HydrophobicContact CG-CG1 4.26Å; K63-I105 PolarHBondContact N-O 3.29Å; K63-I105 PolarHBondContact O-N 2.94Å; L74-I105 HydrophobicContact CB-CG2 4.47Å; L74-I105 HydrophobicContact CD2-CD1 4.06Å; L74-I105 HydrophobicContact CD2-CG1 3.92Å; L74-I105 HydrophobicContact CD2-CG2 4.49Å; E77-I105 HydrophobicContact CB-CD1 4.4Å; E77-I105 HydrophobicContact CG-CD1 3.87Å; V78-I105 HydrophobicContact CG2-CG2 3.49Å; V78-I105 VanDerWaalsContact CG2-CG2 3.49Å; L81-I105 HydrophobicContact CD1-CD1 4.47Å; L93-I105 HydrophobicContact CD1-CB 3.76Å; L93-I105 HydrophobicContact CD1-CD1 4.26Å; L93-I105 HydrophobicContact CD1-CG2 3.99Å; A95-I105 CarbonylContact O-C 3.46Å; A95-I105 WeakPolarHBondContact O-CA 3.43Å; A95-I105 WeakPolarHBondContact O-CB 3.37Å; Y96-I105 HydrophobicContact CD2-CG2 3.56Å; Y96-I105 HydrophobicContact CE2-CG2 4.36Å; Y96-I105 HydrophobicContact CG-CG2 4.16Å; I105-V107 HydrophobicContact CD1-CG1 3.85Å; I105-V107 HydrophobicContact CG1-CG1 4.24Å
106	V	97.2	Very high	92.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	129	167.3	-178.4	0	0	0	0	108.9	W34 V51 F58 Y61 M62 H94 A95 Y104	W34-V106 HydrophobicContact CD2-CG2 3.91Å; W34-V106 HydrophobicContact CE3-CG1 4.26Å; W34-V106 HydrophobicContact CE3-CG2 4.28Å; W34-V106 HydrophobicContact CG-CG2 4.36Å; W34-V106 HydrophobicContact CH2-CB 4.27Å; W34-V106 HydrophobicContact CH2-CG1 3.92Å; W34-V106 HydrophobicContact CH2-CG2 4.37Å; W34-V106 HydrophobicContact CZ2-CB 4.22Å; W34-V106 HydrophobicContact CZ2-CG1 4.37Å; W34-V106 HydrophobicContact CZ2-CG2 4.01Å; W34-V106 HydrophobicContact CZ3-CG1 3.86Å; W34-V106 HydrophobicContact CZ3-CG2 4.49Å; V51-V106 HydrophobicContact CG2-CG1 3.97Å; V51-V106 HydrophobicContact CG2-CG2 4.36Å; F58-V106 HydrophobicContact CE1-CG1 3.92Å; Y61-V106 WeakPolarHBondContact O-CA 3.11Å; M62-V106 HydrophobicContact CB-CG2 4.22Å; M62-V106 HydrophobicContact CE-CG2 4.01Å; M62-V106 HydrophobicContact CG-CG2 4.42Å; H94-V106 HydrophobicContact CB-CB 4.4Å; H94-V106 HydrophobicContact CB-CG1 4.36Å; H94-V106 PolarHBondContact N-O 2.95Å; A95-V106 HydrophobicContact CB-CB 4.01Å; A95-V106 HydrophobicContact CB-CG2 4.09Å; A95-V106 PolarHBondContact N-O 3.44Å; A95-V106 PolarHBondContact O-N 2.87Å; Y104-V106 HydrophobicContact CD2-CG2 4.07Å; Y104-V106 HydrophobicContact CE2-CG2 4.07Å
107	V	96.9	Very high	93	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	147.1	-179.6	-57.7	0	0	0	0	111.6	G60 Y61 L81 C91 T92 L93 I105	G60-V107 CarbonylContact C-O 3.3Å; G60-V107 WeakPolarHBondContact CA-O 3.39Å; Y61-V107 PolarHBondContact N-O 2.92Å; Y61-V107 PolarHBondContact O-N 3.11Å; L81-V107 HydrophobicContact CD1-CG1 3.61Å; C91-V107 HydrophobicContact CB-CB 4.07Å; C91-V107 HydrophobicContact CB-CG2 4.41Å; T92-V107 VanDerWaalsContact O-CA 3.25Å; T92-V107 WeakPolarHBondContact O-CA 3.27Å; L93-V107 HydrophobicContact CD1-CG1 4.11Å; I105-V107 HydrophobicContact CD1-CG1 3.85Å; I105-V107 HydrophobicContact CG1-CG1 4.24Å
108	G	94.5	Very high	93.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	173.6	-179.5	0	0	0	0	0	112.2	C91 T92	C91-G108 CarbonylContact C-O 3.52Å; T92-G108 PolarHBondContact N-O 2.94Å; T92-G108 PolarHBondContact O-N 3.33Å
109	P	92.2	Very high	93.3	Very high	33 Å²	33	30.6 Å²	30.6	21%	0.214	17%	0.167	C	C	.	.			cis	-69.3	149.3	-8.1	29	-33.1	0	0	0	111.9	D163	P109-D163 WeakPolarHBondContact CB-OD2 3.37Å; P109-D163 WeakPolarHBondContact CG-OD2 3.33Å
110	V	90.9	Very high	93.7	Very high	3 Å²	3	32.3 Å²	32.3	2%	0.018	17%	0.171	C	C	.	.			trans	-129.8	118.2	179.4	-61.9	0	0	0	0	112.4	G60 Y61 I161 V164	G60-V110 VanDerWaalsContact C-CG2 3.47Å; Y61-V110 HydrophobicContact CD1-CB 4.03Å; Y61-V110 HydrophobicContact CD1-CG1 4.28Å; Y61-V110 HydrophobicContact CD1-CG2 3.44Å; Y61-V110 VanDerWaalsContact CD1-CG2 3.44Å; Y61-V110 HydrophobicContact CD2-CB 4Å; Y61-V110 HydrophobicContact CD2-CG1 3.69Å; Y61-V110 HydrophobicContact CD2-CG2 4.31Å; Y61-V110 HydrophobicContact CE1-CB 3.98Å; Y61-V110 HydrophobicContact CE1-CG2 3.56Å; Y61-V110 HydrophobicContact CE2-CB 3.97Å; Y61-V110 HydrophobicContact CE2-CG1 4.11Å; Y61-V110 HydrophobicContact CE2-CG2 4.43Å; Y61-V110 HydrophobicContact CG-CB 4.02Å; Y61-V110 HydrophobicContact CG-CG1 3.78Å; Y61-V110 HydrophobicContact CG-CG2 3.84Å; V110-I161 HydrophobicContact CB-CD1 4.16Å; V110-I161 HydrophobicContact CG1-CD1 3.98Å; V110-V164 WeakPolarHBondContact O-CG2 3.13Å
111	G	90.5	Very high	94.2	Very high	11 Å²	11	29.6 Å²	29.6	11%	0.113	14%	0.139	C	C	.	.			trans	-113	-149.2	172.9	0	0	0	0	0	112.7	Y61 I162	Y61-G111 PolarHBondContact OH-O 3.49Å; G111-I162 WeakPolarHBondContact CA-O 3.33Å; G111-I162 PolarHBondContact N-O 2.99Å
112	K	92.9	Very high	94.5	Very high	62 Å²	62	29.9 Å²	29.9	27%	0.27	15%	0.146	S	C	.	.			trans	-71.7	142.6	177.5	-67.3	-176.8	-171.7	179.8	0	109.8	E116 V117 E120 I161 I162	K112-E116 HydrophobicContact CB-CB 3.95Å; K112-E116 HydrophobicContact CD-CB 4.46Å; K112-E116 HydrophobicContact CG-CB 4.38Å; K112-V117 HydrophobicContact CB-CG2 3.96Å; K112-E120 IonicContact NZ-OE1 3.17Å; K112-E120 PolarHBondContact NZ-OE1 3.41Å; K112-E120 IonicContact NZ-OE2 3.28Å; K112-E120 PolarHBondContact NZ-OE2 3.23Å; K112-I161 WeakPolarHBondContact O-CA 3.39Å; K112-I162 HydrophobicContact CB-CG1 4.35Å; K112-I162 WeakPolarHBondContact O-CG1 3.5Å; K112-I162 PolarHBondContact O-N 2.95Å
113	S	95.9	Very high	94.8	Very high	9 Å²	9	37.4 Å²	37.4	6%	0.063	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-61.5	152.8	162.1	58.9	0	0	0	0	111	R115 E116 V117 L160	S113-R115 PolarHBondContact O-N 3.02Å; S113-E116 WeakPolarHBondContact CB-OE2 3.4Å; S113-E116 PolarHBondContact N-OE2 3.03Å; S113-E116 WeakPolarHBondContact O-CA 3.43Å; S113-E116 WeakPolarHBondContact O-CB 3.24Å; S113-E116 PolarHBondContact O-N 3.32Å; S113-E116 WeakPolarHBondContact OG-CB 3.45Å; S113-E116 VanDerWaalsContact OG-CG 3.28Å; S113-E116 WeakPolarHBondContact OG-CG 3.38Å; S113-E116 PolarHBondContact OG-N 3.1Å; S113-E116 VanDerWaalsContact OG-N 3.09Å; S113-E116 PolarHBondContact OG-OE2 2.92Å; S113-V117 WeakPolarHBondContact O-CG2 3.15Å; S113-V117 PolarHBondContact O-N 2.91Å; S113-L160 CarbonylContact C-O 3.5Å; S113-L160 VanDerWaalsContact CA-O 3.25Å; S113-L160 WeakPolarHBondContact CA-O 3.43Å
114	L	97.9	Very high	95.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-60.2	-30.3	171.5	-68.2	-176.2	0	0	0	110.7	E116 V117 M118 F126 I134 P157 L160 I162 V172 F232 W309	L114-E116 PolarHBondContact O-N 3.23Å; L114-V117 PolarHBondContact O-N 3.1Å; L114-M118 WeakPolarHBondContact O-CG 3.46Å; L114-M118 PolarHBondContact O-N 3.04Å; L114-F126 HydrophobicContact CB-CE2 4.36Å; L114-F126 HydrophobicContact CB-CZ 4.28Å; L114-F126 HydrophobicContact CD2-CZ 4.08Å; L114-I134 HydrophobicContact CD1-CD1 3.99Å; L114-I134 HydrophobicContact CD1-CG1 4.41Å; L114-I134 HydrophobicContact CD1-CG2 4.03Å; L114-P157 PolarHBondContact N-O 2.77Å; L114-L160 HydrophobicContact CB-CB 4.44Å; L114-L160 HydrophobicContact CD1-CB 3.67Å; L114-L160 HydrophobicContact CD1-CD1 3.95Å; L114-L160 HydrophobicContact CD1-CG 4.47Å; L114-L160 HydrophobicContact CG-CB 3.96Å; L114-L160 PolarHBondContact N-O 3.32Å; L114-I162 HydrophobicContact CD2-CG2 3.76Å; L114-V172 HydrophobicContact CD1-CG1 3.98Å; L114-F232 HydrophobicContact CB-CE1 4.28Å; L114-F232 HydrophobicContact CB-CZ 3.99Å; L114-F232 HydrophobicContact CD1-CE2 3.98Å; L114-F232 HydrophobicContact CD1-CZ 3.67Å; L114-W309 HydrophobicContact CD2-CE3 4.35Å; L114-W309 HydrophobicContact CD2-CH2 4.13Å; L114-W309 HydrophobicContact CD2-CZ3 3.83Å
115	R	97	Very high	95.2	Very high	30 Å²	30	47.1 Å²	47.1	11%	0.113	22%	0.215	C	C	.	.	H	α-helix	trans	-54.8	-49.4	167.9	176.3	60.4	65.7	-169.9	10.6	112.7	S113 M118 R119 P157 D158 Y205 E231	S113-R115 PolarHBondContact O-N 3.02Å; R115-M118 PolarHBondContact O-N 3.42Å; R115-R119 WeakPolarHBondContact O-CG 3.37Å; R115-R119 PolarHBondContact O-N 3.29Å; R115-P157 HydrophobicContact CB-CB 3.95Å; R115-P157 PolarHBondContact N-O 3.45Å; R115-D158 WeakPolarHBondContact CG-OD1 3.27Å; R115-D158 IonicContact NE-OD2 3.18Å; R115-D158 PolarHBondContact NE-OD2 3.06Å; R115-D158 IonicContact NH2-OD2 3.97Å; R115-Y205 PolarHBondContact NH2-OH 3.09Å; R115-E231 IonicContact CZ-OE1 2.62Å; R115-E231 VanDerWaalsContact CZ-OE1 3.28Å; R115-E231 IonicContact CZ-OE2 2.67Å; R115-E231 IonicContact NH1-OE1 3.17Å; R115-E231 PolarHBondContact NH1-OE1 3.28Å; R115-E231 IonicContact NH1-OE2 3.21Å; R115-E231 PolarHBondContact NH1-OE2 3.02Å; R115-E231 IonicContact NH2-OE1 3.68Å; R115-E231 PolarHBondContact NH2-OE1 2.87Å; R115-E231 IonicContact NH2-OE2 3.97Å; R115-E231 PolarHBondContact NH2-OE2 3.2Å
116	E	95.6	Very high	95.3	Very high	66 Å²	66	47.6 Å²	47.6	31%	0.308	22%	0.217	S	C	.	.	H	α-helix	trans	-63.5	-44.9	178.7	-82.4	164.2	122.1	0	0	111.5	K112 S113 L114 M118 R119	K112-E116 HydrophobicContact CB-CB 3.95Å; K112-E116 HydrophobicContact CD-CB 4.46Å; K112-E116 HydrophobicContact CG-CB 4.38Å; S113-E116 WeakPolarHBondContact CB-OE2 3.4Å; S113-E116 PolarHBondContact N-OE2 3.03Å; S113-E116 WeakPolarHBondContact O-CA 3.43Å; S113-E116 WeakPolarHBondContact O-CB 3.24Å; S113-E116 PolarHBondContact O-N 3.32Å; S113-E116 WeakPolarHBondContact OG-CB 3.45Å; S113-E116 VanDerWaalsContact OG-CG 3.28Å; S113-E116 WeakPolarHBondContact OG-CG 3.38Å; S113-E116 PolarHBondContact OG-N 3.1Å; S113-E116 VanDerWaalsContact OG-N 3.09Å; S113-E116 PolarHBondContact OG-OE2 2.92Å; L114-E116 PolarHBondContact O-N 3.23Å; E116-M118 VanDerWaalsContact C-N 3.35Å; E116-M118 PolarHBondContact O-N 2.87Å; E116-R119 WeakPolarHBondContact O-CB 3.41Å; E116-R119 PolarHBondContact O-N 3.49Å; E116-R119 VanDerWaalsContact O-N 3.11Å
117	V	95.6	Very high	95.3	Very high	3 Å²	3	50.6 Å²	50.6	2%	0.018	24%	0.235	C	C	.	.	H	α-helix	trans	-58.3	-46.8	176.2	174.8	0	0	0	0	111.1	K112 S113 L114 R119 E120 L121 F126 I162 W309	K112-V117 HydrophobicContact CB-CG2 3.96Å; S113-V117 WeakPolarHBondContact O-CG2 3.15Å; S113-V117 PolarHBondContact O-N 2.91Å; L114-V117 PolarHBondContact O-N 3.1Å; V117-R119 PolarHBondContact O-N 3.12Å; V117-E120 WeakPolarHBondContact O-CB 3.49Å; V117-E120 PolarHBondContact O-N 2.72Å; V117-L121 HydrophobicContact CG1-CD1 4.17Å; V117-L121 PolarHBondContact O-N 3.48Å; V117-F126 HydrophobicContact CB-CE1 4.37Å; V117-F126 HydrophobicContact CB-CZ 4.13Å; V117-F126 HydrophobicContact CG1-CE1 3.55Å; V117-F126 HydrophobicContact CG1-CZ 3.81Å; V117-I162 HydrophobicContact CG2-CD1 3.84Å; V117-I162 HydrophobicContact CG2-CG1 4.35Å; V117-W309 HydrophobicContact CG1-CB 3.69Å; V117-W309 HydrophobicContact CG1-CD2 4.49Å; V117-W309 HydrophobicContact CG1-CE3 4.01Å; V117-W309 HydrophobicContact CG1-CG 4.43Å; V117-W309 HydrophobicContact CG2-CB 4.39Å
118	M	96.9	Very high	95.2	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-55.4	-36.6	176.7	-72.6	173.3	79.7	0	0	112.3	L114 R115 E116 E120 L121 R124 F126 E231 F232	L114-M118 WeakPolarHBondContact O-CG 3.46Å; L114-M118 PolarHBondContact O-N 3.04Å; R115-M118 PolarHBondContact O-N 3.42Å; E116-M118 VanDerWaalsContact C-N 3.35Å; E116-M118 PolarHBondContact O-N 2.87Å; M118-E120 PolarHBondContact O-N 3.09Å; M118-L121 PolarHBondContact O-N 3.1Å; M118-L121 VanDerWaalsContact O-N 3.16Å; M118-R124 WeakPolarHBondContact CE-O 3.45Å; M118-R124 WeakPolarHBondContact O-CA 3.14Å; M118-R124 WeakPolarHBondContact O-CB 3.31Å; M118-F126 HydrophobicContact CG-CD2 3.83Å; M118-F126 HydrophobicContact CG-CE2 3.18Å; M118-F126 HydrophobicContact CG-CZ 3.62Å; M118-F126 HydrophobicContact SD-CE2 3.97Å; M118-E231 HydrophobicContact CE-CG 4.11Å; M118-E231 WeakPolarHBondContact CE-O 3.29Å; M118-F232 HydrophobicContact CE-CD1 3.94Å; M118-F232 HydrophobicContact CG-CD1 4.37Å; M118-F232 HydrophobicContact SD-CD1 3.44Å; M118-F232 WeakPolarHBondContact SD-CD1 3.4Å; M118-F232 HydrophobicContact SD-CE1 3.55Å; M118-F232 VanDerWaalsContact SD-CE1 3.55Å
119	R	96.3	Very high	95.4	Very high	152 Å²	152	54 Å²	54	57%	0.574	25%	0.254	S	S	*	.	H	α-helix	trans	-65	-20.6	179.6	-68.9	-172.4	-66.7	-164.7	0.2	113	R115 E116 V117	R115-R119 WeakPolarHBondContact O-CG 3.37Å; R115-R119 PolarHBondContact O-N 3.29Å; E116-R119 WeakPolarHBondContact O-CB 3.41Å; E116-R119 PolarHBondContact O-N 3.49Å; E116-R119 VanDerWaalsContact O-N 3.11Å; V117-R119 PolarHBondContact O-N 3.12Å
120	E	95.2	Very high	95.7	Very high	76 Å²	76	52.4 Å²	52.4	36%	0.355	24%	0.244	S	C	.	.	H	α-helix	trans	-92.5	-11.7	179.5	-61	178.6	-169.4	0	0	112.8	K112 V117 M118 L312 R316	K112-E120 IonicContact NZ-OE1 3.17Å; K112-E120 PolarHBondContact NZ-OE1 3.41Å; K112-E120 IonicContact NZ-OE2 3.28Å; K112-E120 PolarHBondContact NZ-OE2 3.23Å; V117-E120 WeakPolarHBondContact O-CB 3.49Å; V117-E120 PolarHBondContact O-N 2.72Å; M118-E120 PolarHBondContact O-N 3.09Å; E120-L312 HydrophobicContact CB-CD1 3.92Å; E120-R316 IonicContact OE2-NH2 3.01Å
121	L	95.8	Very high	96	Very high	16 Å²	16	52.2 Å²	52.2	8%	0.084	24%	0.243	C	C	.	.	S	Bend	trans	-90.2	149.2	-177	-70	171.5	0	0	0	113.1	V117 M118 K123 R124 R125 F126 D308 L312	V117-L121 HydrophobicContact CG1-CD1 4.17Å; V117-L121 PolarHBondContact O-N 3.48Å; M118-L121 PolarHBondContact O-N 3.1Å; M118-L121 VanDerWaalsContact O-N 3.16Å; L121-K123 PolarHBondContact O-N 3.25Å; L121-R124 WeakPolarHBondContact O-CA 3.44Å; L121-R124 PolarHBondContact O-N 3.45Å; L121-R125 WeakPolarHBondContact CD1-O 2.93Å; L121-F126 HydrophobicContact CD1-CD1 3.27Å; L121-F126 HydrophobicContact CD1-CE1 3.33Å; L121-F126 HydrophobicContact CD1-CG 4.11Å; L121-F126 HydrophobicContact CD1-CZ 4.22Å; L121-D308 HydrophobicContact CD1-CB 3.93Å; L121-D308 HydrophobicContact CD2-CB 3.74Å; L121-L312 HydrophobicContact CD2-CD1 3.45Å; L121-L312 VanDerWaalsContact CD2-CD1 3.45Å; L121-L312 HydrophobicContact CD2-CD2 4.09Å; L121-L312 HydrophobicContact CD2-CG 3.71Å; L121-L312 HydrophobicContact CG-CD1 3.98Å
122	P	93.9	Very high	96.4	Very high	102 Å²	102	51.7 Å²	51.7	66%	0.662	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-52.9	132.8	170.1	-25.1	34.4	0	0	0	111.6	R124 R125	P122-R124 PolarHBondContact O-N 3.14Å; P122-R125 PolarHBondContact O-N 3.48Å
123	K	94.5	Very high	96.7	Very high	178 Å²	178	49.1 Å²	49.1	77%	0.774	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	55.3	10.2	-176.2	-56.7	177	-178.9	173.8	0	114.5	L121 R125	L121-K123 PolarHBondContact O-N 3.25Å; K123-R125 HydrophobicContact CB-CG 4.31Å; K123-R125 PolarHBondContact O-N 3.03Å
124	R	96.7	Very high	96.8	Very high	150 Å²	150	48.7 Å²	48.7	57%	0.566	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	57.5	31	-173.5	-52.2	-179	179.8	169.3	1.6	114.8	M118 L121 P122 G235	M118-R124 WeakPolarHBondContact CE-O 3.45Å; M118-R124 WeakPolarHBondContact O-CA 3.14Å; M118-R124 WeakPolarHBondContact O-CB 3.31Å; L121-R124 WeakPolarHBondContact O-CA 3.44Å; L121-R124 PolarHBondContact O-N 3.45Å; P122-R124 PolarHBondContact O-N 3.14Å; R124-G235 WeakPolarHBondContact O-CA 3.23Å
125	R	97.1	Very high	96.9	Very high	96 Å²	96	48.7 Å²	48.7	36%	0.362	22%	0.223	S	C	.	.			trans	-112.8	149.6	-175.8	-69.9	170.2	-174.6	-159.4	-4.6	110.8	L121 P122 K123 F232 Y233 N234	L121-R125 WeakPolarHBondContact CD1-O 2.93Å; P122-R125 PolarHBondContact O-N 3.48Å; K123-R125 HydrophobicContact CB-CG 4.31Å; K123-R125 PolarHBondContact O-N 3.03Å; R125-F232 WeakPolarHBondContact CA-O 3.42Å; R125-Y233 VanDerWaalsContact CD-O 3.24Å; R125-Y233 WeakPolarHBondContact CD-O 3.38Å; R125-Y233 WeakPolarHBondContact CG-O 3.23Å; R125-N234 VanDerWaalsContact CZ-O 3.32Å; R125-N234 VanDerWaalsContact NE-C 3.26Å; R125-N234 PolarHBondContact NE-O 3.06Å; R125-N234 PolarHBondContact NH2-O 2.87Å
126	F	97.7	Very high	97	Very high	10 Å²	10	48.3 Å²	48.3	4%	0.044	22%	0.223	C	C	.	.			trans	-91	157	165.2	-68.5	-67.9	0	0	0	110.4	L114 V117 M118 L121 T130 I131 F232 D308 W309	L114-F126 HydrophobicContact CB-CE2 4.36Å; L114-F126 HydrophobicContact CB-CZ 4.28Å; L114-F126 HydrophobicContact CD2-CZ 4.08Å; V117-F126 HydrophobicContact CB-CE1 4.37Å; V117-F126 HydrophobicContact CB-CZ 4.13Å; V117-F126 HydrophobicContact CG1-CE1 3.55Å; V117-F126 HydrophobicContact CG1-CZ 3.81Å; M118-F126 HydrophobicContact CG-CD2 3.83Å; M118-F126 HydrophobicContact CG-CE2 3.18Å; M118-F126 HydrophobicContact CG-CZ 3.62Å; M118-F126 HydrophobicContact SD-CE2 3.97Å; L121-F126 HydrophobicContact CD1-CD1 3.27Å; L121-F126 HydrophobicContact CD1-CE1 3.33Å; L121-F126 HydrophobicContact CD1-CG 4.11Å; L121-F126 HydrophobicContact CD1-CZ 4.22Å; F126-T130 HydrophobicContact CB-CG2 3.78Å; F126-T130 HydrophobicContact CD1-CG2 3.42Å; F126-T130 VanDerWaalsContact CD1-CG2 3.42Å; F126-T130 HydrophobicContact CE1-CG2 4.12Å; F126-T130 HydrophobicContact CG-CG2 3.72Å; F126-I131 HydrophobicContact CB-CD1 3.95Å; F126-I131 HydrophobicContact CB-CG1 3.53Å; F126-I131 WeakPolarHBondContact O-CD1 3.47Å; F126-F232 HydrophobicContact CB-CB 4.43Å; F126-F232 HydrophobicContact CD2-CB 3.71Å; F126-F232 AromaticContact CD2-CD1 3.64Å; F126-F232 HydrophobicContact CD2-CD1 3.64Å; F126-F232 HydrophobicContact CD2-CD2 4.12Å; F126-F232 HydrophobicContact CD2-CE1 4.23Å; F126-F232 AromaticContact CD2-CG 3.56Å; F126-F232 HydrophobicContact CD2-CG 3.56Å; F126-F232 AromaticContact CE2-CD1 3.64Å; F126-F232 HydrophobicContact CE2-CD1 3.64Å; F126-F232 HydrophobicContact CE2-CD2 4.41Å; F126-F232 AromaticContact CE2-CE1 3.78Å; F126-F232 HydrophobicContact CE2-CE1 3.78Å; F126-F232 AromaticContact CE2-CG 3.98Å; F126-F232 HydrophobicContact CE2-CG 3.98Å; F126-F232 HydrophobicContact CE2-CZ 4.25Å; F126-F232 PolarHBondContact N-O 3.4Å; F126-F232 VanDerWaalsContact N-O 3.12Å; F126-D308 WeakPolarHBondContact CA-OD2 3.28Å; F126-D308 WeakPolarHBondContact CB-OD2 3.36Å; F126-D308 HydrophobicContact CD1-CB 4.13Å; F126-D308 WeakPolarHBondContact CD1-OD2 3.43Å; F126-W309 HydrophobicContact CD1-CE3 4.49Å; F126-W309 HydrophobicContact CD1-CZ3 4.44Å; F126-W309 AromaticContact CE1-CE3 3.79Å; F126-W309 HydrophobicContact CE1-CE3 3.79Å; F126-W309 AromaticContact CE1-CZ3 3.9Å; F126-W309 HydrophobicContact CE1-CZ3 3.9Å; F126-W309 HydrophobicContact CZ-CZ3 4.42Å
127	T	96.8	Very high	97.1	Very high	63 Å²	63	46.8 Å²	46.8	39%	0.387	22%	0.216	S	C	.	.			trans	-74.6	159.3	171.3	57.7	0	0	0	0	111.1	S129 T130 I131 D308	T127-S129 PolarHBondContact O-N 2.96Å; T127-T130 PolarHBondContact O-N 2.97Å; T127-T130 VanDerWaalsContact O-N 3.12Å; T127-T130 PolarHBondContact OG1-N 3.38Å; T127-T130 PolarHBondContact OG1-OG1 2.88Å; T127-I131 VanDerWaalsContact O-CG1 3.28Å; T127-I131 WeakPolarHBondContact O-CG1 3.26Å; T127-I131 PolarHBondContact O-N 3.27Å; T127-D308 WeakPolarHBondContact CB-OD1 2.85Å; T127-D308 WeakPolarHBondContact CG2-OD1 3.37Å; T127-D308 PolarHBondContact N-OD2 3.24Å; T127-D308 PolarHBondContact OG1-OD1 3.4Å; T127-D308 PolarHBondContact OG1-OD2 2.92Å
128	N	96.2	Very high	97.3	Very high	61 Å²	61	46.7 Å²	46.7	33%	0.326	22%	0.215	S	C	.	.	H	α-helix	trans	-56	-40	176	-70.3	0.1	0	0	0	111.8	T130 I131 L132 Y233 I301	N128-T130 PolarHBondContact O-N 3.46Å; N128-I131 PolarHBondContact O-N 3.41Å; N128-L132 VanDerWaalsContact O-CG 3.31Å; N128-L132 WeakPolarHBondContact O-CG 3.44Å; N128-L132 PolarHBondContact O-N 3.48Å; N128-Y233 VanDerWaalsContact OD1-CE1 3.3Å; N128-Y233 WeakPolarHBondContact OD1-CE1 3.49Å; N128-I301 HydrophobicContact CB-CD1 4.24Å
129	S	97.4	Very high	97.3	Very high	10 Å²	10	46.6 Å²	46.6	7%	0.07	22%	0.215	C	C	.	.	H	α-helix	trans	-54.7	-49.3	175	175.4	0	0	0	0	112.3	T127 R133 I301 E305	T127-S129 PolarHBondContact O-N 2.96Å; S129-R133 WeakPolarHBondContact O-CG 3.2Å; S129-R133 PolarHBondContact O-N 3.36Å; S129-R133 PolarHBondContact O-NE 3.18Å; S129-R133 VanDerWaalsContact O-NE 3.08Å; S129-R133 PolarHBondContact OG-NH2 2.99Å; S129-I301 WeakPolarHBondContact OG-CG2 3.43Å; S129-E305 WeakPolarHBondContact CB-OE2 3.2Å; S129-E305 PolarHBondContact OG-OE2 3.22Å
130	T	98.3	Very high	97.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-66.1	-46.3	177.6	-68.5	0	0	0	0	111.7	F126 T127 N128 L132 R133 I134 F307 D308 W309	F126-T130 HydrophobicContact CB-CG2 3.78Å; F126-T130 HydrophobicContact CD1-CG2 3.42Å; F126-T130 VanDerWaalsContact CD1-CG2 3.42Å; F126-T130 HydrophobicContact CE1-CG2 4.12Å; F126-T130 HydrophobicContact CG-CG2 3.72Å; T127-T130 PolarHBondContact O-N 2.97Å; T127-T130 VanDerWaalsContact O-N 3.12Å; T127-T130 PolarHBondContact OG1-N 3.38Å; T127-T130 PolarHBondContact OG1-OG1 2.88Å; N128-T130 PolarHBondContact O-N 3.46Å; T130-L132 PolarHBondContact O-N 3.13Å; T130-R133 PolarHBondContact O-N 2.76Å; T130-I134 HydrophobicContact CG2-CD1 3.44Å; T130-I134 VanDerWaalsContact CG2-CD1 3.44Å; T130-I134 HydrophobicContact CG2-CG1 4.22Å; T130-I134 WeakPolarHBondContact O-CD1 3.45Å; T130-I134 WeakPolarHBondContact O-CG1 3.47Å; T130-I134 PolarHBondContact O-N 3.24Å; T130-F307 HydrophobicContact CG2-CD1 3.69Å; T130-F307 HydrophobicContact CG2-CE1 4.34Å; T130-D308 VanDerWaalsContact CB-OD2 3.3Å; T130-D308 WeakPolarHBondContact CB-OD2 3.37Å; T130-D308 PolarHBondContact OG1-N 2.95Å; T130-D308 PolarHBondContact OG1-OD1 3.02Å; T130-D308 PolarHBondContact OG1-OD2 2.8Å; T130-D308 VanDerWaalsContact OG1-OD2 3.04Å; T130-W309 HydrophobicContact CG2-CE3 4.35Å; T130-W309 HydrophobicContact CG2-CH2 4.24Å; T130-W309 HydrophobicContact CG2-CZ3 3.58Å
131	I	98.6	Very high	97.6	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-65.6	-43.9	-173.1	-62.7	170.3	0	0	0	112.1	F126 T127 N128 I134 G135 L229 F232 Y233	F126-I131 HydrophobicContact CB-CD1 3.95Å; F126-I131 HydrophobicContact CB-CG1 3.53Å; F126-I131 WeakPolarHBondContact O-CD1 3.47Å; T127-I131 VanDerWaalsContact O-CG1 3.28Å; T127-I131 WeakPolarHBondContact O-CG1 3.26Å; T127-I131 PolarHBondContact O-N 3.27Å; N128-I131 PolarHBondContact O-N 3.41Å; I131-I134 PolarHBondContact O-N 3.42Å; I131-G135 PolarHBondContact O-N 2.84Å; I131-L229 HydrophobicContact CG2-CB 4.25Å; I131-L229 HydrophobicContact CG2-CD2 3.93Å; I131-F232 HydrophobicContact CD1-CB 3.79Å; I131-F232 HydrophobicContact CG1-CB 3.76Å; I131-F232 HydrophobicContact CG2-CB 4.44Å; I131-Y233 HydrophobicContact CB-CE1 4.29Å; I131-Y233 HydrophobicContact CB-CE2 4.46Å; I131-Y233 HydrophobicContact CD1-CD1 3.39Å; I131-Y233 HydrophobicContact CD1-CD2 4.13Å; I131-Y233 HydrophobicContact CD1-CE1 3.53Å; I131-Y233 HydrophobicContact CD1-CE2 4.27Å; I131-Y233 HydrophobicContact CD1-CG 3.68Å; I131-Y233 HydrophobicContact CG1-CE1 4.5Å; I131-Y233 HydrophobicContact CG2-CD2 4.17Å; I131-Y233 HydrophobicContact CG2-CE1 4.2Å; I131-Y233 HydrophobicContact CG2-CE2 3.52Å
132	L	98.7	Very high	97.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-64.9	-42.8	-178.7	-66.4	175.2	0	0	0	111.5	N128 T130 G135 I136 P264 I267 F292 A295 M296 I301	N128-L132 VanDerWaalsContact O-CG 3.31Å; N128-L132 WeakPolarHBondContact O-CG 3.44Å; N128-L132 PolarHBondContact O-N 3.48Å; T130-L132 PolarHBondContact O-N 3.13Å; L132-G135 WeakPolarHBondContact O-CA 3.24Å; L132-G135 PolarHBondContact O-N 3.32Å; L132-G135 VanDerWaalsContact O-N 3.11Å; L132-I136 PolarHBondContact O-N 3.38Å; L132-P264 HydrophobicContact CD1-CG 4.17Å; L132-P264 HydrophobicContact CD2-CG 4.1Å; L132-I267 HydrophobicContact CD2-CD1 4.27Å; L132-F292 HydrophobicContact CB-CD1 4.48Å; L132-F292 HydrophobicContact CD2-CD1 3.7Å; L132-F292 HydrophobicContact CD2-CE1 4.27Å; L132-A295 HydrophobicContact CD1-CB 3.84Å; L132-A295 HydrophobicContact CD2-CB 3.84Å; L132-M296 HydrophobicContact CB-CG 3.74Å; L132-M296 HydrophobicContact CB-SD 4.26Å; L132-M296 HydrophobicContact CD1-CG 3.74Å; L132-M296 HydrophobicContact CG-CG 4.39Å; L132-I301 HydrophobicContact CD1-CD1 3.69Å
133	R	98.3	Very high	98	Very high	7 Å²	7	34.4 Å²	34.4	3%	0.026	16%	0.161	C	C	.	.	H	α-helix	trans	-71.7	-32.9	178.8	-67.1	-176.5	-65.3	156	-3.4	113.2	S129 T130 G135 Q137 M296 H303 E305 F307	S129-R133 WeakPolarHBondContact O-CG 3.2Å; S129-R133 PolarHBondContact O-N 3.36Å; S129-R133 PolarHBondContact O-NE 3.18Å; S129-R133 VanDerWaalsContact O-NE 3.08Å; S129-R133 PolarHBondContact OG-NH2 2.99Å; T130-R133 PolarHBondContact O-N 2.76Å; R133-G135 VanDerWaalsContact C-N 3.31Å; R133-Q137 PolarHBondContact O-N 3.19Å; R133-M296 HydrophobicContact CG-CE 3.64Å; R133-M296 HydrophobicContact CG-SD 3.56Å; R133-M296 VanDerWaalsContact CG-SD 3.56Å; R133-H303 PolarHBondContact NH1-O 3.09Å; R133-E305 PolarHBondContact NH1-O 3.15Å; R133-E305 PolarHBondContact NH2-O 2.85Å; R133-E305 VanDerWaalsContact NH2-O 3.11Å; R133-F307 HydrophobicContact CB-CE1 3.72Å; R133-F307 HydrophobicContact CB-CZ 3.7Å
134	I	98.7	Very high	98.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-61.6	-43.6	166.5	-67.6	163.7	0	0	0	110	L114 T130 I131 I136 Q137 C138 V172 L229 F232 F307 W309	L114-I134 HydrophobicContact CD1-CD1 3.99Å; L114-I134 HydrophobicContact CD1-CG1 4.41Å; L114-I134 HydrophobicContact CD1-CG2 4.03Å; T130-I134 HydrophobicContact CG2-CD1 3.44Å; T130-I134 VanDerWaalsContact CG2-CD1 3.44Å; T130-I134 HydrophobicContact CG2-CG1 4.22Å; T130-I134 WeakPolarHBondContact O-CD1 3.45Å; T130-I134 WeakPolarHBondContact O-CG1 3.47Å; T130-I134 PolarHBondContact O-N 3.24Å; I131-I134 PolarHBondContact O-N 3.42Å; I134-I136 PolarHBondContact O-N 3.04Å; I134-Q137 PolarHBondContact O-N 3.48Å; I134-C138 WeakPolarHBondContact O-CB 3.35Å; I134-C138 PolarHBondContact O-N 3.44Å; I134-C138 PolarHBondContact O-SG 3.2Å; I134-V172 HydrophobicContact CG1-CG2 4.17Å; I134-L229 HydrophobicContact CG2-CD2 4.47Å; I134-F232 HydrophobicContact CD1-CD2 4.32Å; I134-F232 HydrophobicContact CD1-CE2 4.18Å; I134-F232 HydrophobicContact CG2-CE2 3.98Å; I134-F307 HydrophobicContact CG1-CE1 4.14Å; I134-W309 HydrophobicContact CD1-CH2 4.19Å; I134-W309 HydrophobicContact CD1-CZ3 4.03Å; I134-W309 HydrophobicContact CG1-CH2 4.17Å
135	G	98.8	Very high	98.3	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-53.3	-51	177.5	0	0	0	0	0	112.1	I131 L132 R133 C138 V139	I131-G135 PolarHBondContact O-N 2.84Å; L132-G135 WeakPolarHBondContact O-CA 3.24Å; L132-G135 PolarHBondContact O-N 3.32Å; L132-G135 VanDerWaalsContact O-N 3.11Å; R133-G135 VanDerWaalsContact C-N 3.31Å; G135-C138 PolarHBondContact O-N 3.24Å; G135-V139 VanDerWaalsContact O-CG2 3.3Å; G135-V139 WeakPolarHBondContact O-CG2 3.34Å; G135-V139 PolarHBondContact O-N 3.17Å
136	I	98.8	Very high	98.4	Very high	22 Å²	22	15.3 Å²	15.3	11%	0.113	9%	0.088	C	C	.	.	H	α-helix	trans	-56.3	-55.1	177.3	-66.7	164.8	0	0	0	111.1	L132 I134 C138 V139 D140 I289 F292 E293 M296	L132-I136 PolarHBondContact O-N 3.38Å; I134-I136 PolarHBondContact O-N 3.04Å; I136-C138 VanDerWaalsContact C-N 3.27Å; I136-C138 PolarHBondContact O-N 2.89Å; I136-V139 PolarHBondContact O-N 2.86Å; I136-D140 WeakPolarHBondContact O-CB 3.09Å; I136-D140 PolarHBondContact O-N 2.86Å; I136-I289 HydrophobicContact CG1-CG2 4.49Å; I136-I289 HydrophobicContact CG2-CG2 4.11Å; I136-F292 HydrophobicContact CD1-CB 3.97Å; I136-F292 HydrophobicContact CG1-CB 3.46Å; I136-F292 VanDerWaalsContact CG1-CB 3.46Å; I136-F292 HydrophobicContact CG1-CD2 4.49Å; I136-F292 HydrophobicContact CG1-CG 4.15Å; I136-E293 HydrophobicContact CD1-CG 4.2Å; I136-E293 WeakPolarHBondContact CD1-OE1 3.25Å; I136-M296 HydrophobicContact CD1-SD 3.45Å; I136-M296 WeakPolarHBondContact CD1-SD 3.31Å
137	Q	98.6	Very high	98.4	Very high	34 Å²	34	24.7 Å²	24.7	16%	0.159	12%	0.124	C	C	.	.	H	α-helix	trans	-60.2	-36.8	-179.2	-73.5	-173.7	62.4	0	0	112.9	N89 R133 I134 A141 Q170	N89-Q137 PolarHBondContact ND2-OE1 2.8Å; R133-Q137 PolarHBondContact O-N 3.19Å; I134-Q137 PolarHBondContact O-N 3.48Å; Q137-A141 VanDerWaalsContact O-CB 3.32Å; Q137-A141 WeakPolarHBondContact O-CB 3.45Å; Q137-A141 PolarHBondContact O-N 3.4Å; Q137-Q170 PolarHBondContact NE2-O 3.36Å; Q137-Q170 PolarHBondContact OE1-O 2.98Å
138	C	98.9	Very high	98.5	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.014	11%	0.114	C	C	.	.	H	α-helix	trans	-71.5	-39.8	178.1	-67.6	0	0	0	0	111.9	I134 G135 I136 I142 L225	I134-C138 WeakPolarHBondContact O-CB 3.35Å; I134-C138 PolarHBondContact O-N 3.44Å; I134-C138 PolarHBondContact O-SG 3.2Å; G135-C138 PolarHBondContact O-N 3.24Å; I136-C138 VanDerWaalsContact C-N 3.27Å; I136-C138 PolarHBondContact O-N 2.89Å; C138-I142 VanDerWaalsContact O-CB 3.27Å; C138-I142 WeakPolarHBondContact O-CB 3.15Å; C138-I142 WeakPolarHBondContact O-CD1 3.45Å; C138-I142 WeakPolarHBondContact O-CG1 3.19Å; C138-I142 PolarHBondContact O-N 3.14Å; C138-L225 HydrophobicContact CB-CD1 3.54Å; C138-L225 HydrophobicContact CB-CD2 3.73Å; C138-L225 HydrophobicContact CB-CG 4.29Å
139	V	98.9	Very high	98.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-66.6	-42.7	178.1	175.7	0	0	0	0	110.6	G135 I136 I142 A143 L222 L225 Y285 I288 I289 F292	G135-V139 VanDerWaalsContact O-CG2 3.3Å; G135-V139 WeakPolarHBondContact O-CG2 3.34Å; G135-V139 PolarHBondContact O-N 3.17Å; I136-V139 PolarHBondContact O-N 2.86Å; V139-I142 PolarHBondContact O-N 2.82Å; V139-A143 WeakPolarHBondContact O-CB 3.48Å; V139-A143 PolarHBondContact O-N 3.03Å; V139-L222 HydrophobicContact CG2-CD2 4.28Å; V139-L225 HydrophobicContact CG2-CD2 3.62Å; V139-Y285 HydrophobicContact CG1-CD1 4.2Å; V139-I288 HydrophobicContact CG1-CB 4.27Å; V139-I288 HydrophobicContact CG1-CG2 4.12Å; V139-I288 HydrophobicContact CG2-CG2 3.73Å; V139-I289 HydrophobicContact CB-CD1 4.41Å; V139-I289 HydrophobicContact CB-CG1 3.92Å; V139-I289 HydrophobicContact CG1-CD1 4.05Å; V139-I289 HydrophobicContact CG1-CG1 3.67Å; V139-F292 HydrophobicContact CG2-CE2 3.92Å
140	D	98.8	Very high	98.6	Very high	68 Å²	68	21.1 Å²	21.1	36%	0.364	10%	0.101	S	C	.	.	H	α-helix	trans	-58.4	-50.1	174.5	-177.9	63.8	0	0	0	111.7	H87 I136 I142 A143 A144 I289	H87-D140 IonicContact CE1-OD2 3.48Å; H87-D140 PolarHBondContact CE1-OD2 3.29Å; H87-D140 IonicContact NE2-OD2 3.74Å; H87-D140 PolarHBondContact NE2-OD2 3.11Å; I136-D140 WeakPolarHBondContact O-CB 3.09Å; I136-D140 PolarHBondContact O-N 2.86Å; D140-I142 PolarHBondContact O-N 3.35Å; D140-A143 WeakPolarHBondContact O-CB 3.5Å; D140-A143 PolarHBondContact O-N 3.46Å; D140-A144 PolarHBondContact O-N 3.01Å; D140-I289 HydrophobicContact CB-CD1 4.29Å
141	A	98.9	Very high	98.6	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.008	10%	0.101	C	C	.	.	H	α-helix	trans	-60.4	-45	175.3	0	0	0	0	0	112.7	N89 F90 Q137 A143 A144 L145 I174	N89-A141 HydrophobicContact CB-CB 3.68Å; F90-A141 HydrophobicContact CE2-CB 4.19Å; F90-A141 HydrophobicContact CZ-CB 3.91Å; F90-A141 VanDerWaalsContact CZ-O 3.25Å; F90-A141 WeakPolarHBondContact CZ-O 3.39Å; Q137-A141 VanDerWaalsContact O-CB 3.32Å; Q137-A141 WeakPolarHBondContact O-CB 3.45Å; Q137-A141 PolarHBondContact O-N 3.4Å; A141-A143 VanDerWaalsContact C-N 3.32Å; A141-A143 PolarHBondContact O-N 2.9Å; A141-A144 PolarHBondContact O-N 3.01Å; A141-L145 PolarHBondContact O-N 3.03Å; A141-I174 HydrophobicContact CB-CD1 3.81Å; A141-I174 HydrophobicContact CB-CG1 4.44Å
142	I	98.9	Very high	98.6	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62.3	-42.1	178.2	-73.2	166.2	0	0	0	110.4	C138 V139 D140 A144 L145 H146 I155 I174 D221 L222 L225 Y285	C138-I142 VanDerWaalsContact O-CB 3.27Å; C138-I142 WeakPolarHBondContact O-CB 3.15Å; C138-I142 WeakPolarHBondContact O-CD1 3.45Å; C138-I142 WeakPolarHBondContact O-CG1 3.19Å; C138-I142 PolarHBondContact O-N 3.14Å; V139-I142 PolarHBondContact O-N 2.82Å; D140-I142 PolarHBondContact O-N 3.35Å; I142-A144 PolarHBondContact O-N 3.3Å; I142-L145 PolarHBondContact O-N 2.94Å; I142-H146 WeakPolarHBondContact CG2-CE1 3.35Å; I142-H146 WeakPolarHBondContact O-CB 3.46Å; I142-H146 PolarHBondContact O-CD2 2.67Å; I142-H146 PolarHBondContact O-N 3.37Å; I142-I155 HydrophobicContact CD1-CD1 4.35Å; I142-I155 HydrophobicContact CD1-CG1 4.15Å; I142-I155 HydrophobicContact CG1-CD1 4.22Å; I142-I155 HydrophobicContact CG1-CG1 4.46Å; I142-I174 HydrophobicContact CG1-CD1 4.46Å; I142-D221 HydrophobicContact CG2-CB 4.16Å; I142-L222 HydrophobicContact CD1-CD2 4.25Å; I142-L222 HydrophobicContact CG2-CD2 4.09Å; I142-L222 HydrophobicContact CG2-CG 4.46Å; I142-L225 HydrophobicContact CD1-CB 4.23Å; I142-L225 HydrophobicContact CD1-CD2 4.14Å; I142-Y285 HydrophobicContact CG2-CE1 4.4Å
143	A	98.9	Very high	98.5	Very high	20 Å²	20	22.4 Å²	22.4	17%	0.165	11%	0.106	C	C	.	.	H	α-helix	trans	-59.8	-46.6	176.6	0	0	0	0	0	111.3	V139 D140 A141 L145 H146 Y147 Y285	V139-A143 WeakPolarHBondContact O-CB 3.48Å; V139-A143 PolarHBondContact O-N 3.03Å; D140-A143 WeakPolarHBondContact O-CB 3.5Å; D140-A143 PolarHBondContact O-N 3.46Å; A141-A143 VanDerWaalsContact C-N 3.32Å; A141-A143 PolarHBondContact O-N 2.9Å; A143-L145 PolarHBondContact O-N 2.93Å; A143-H146 PolarHBondContact O-N 3.3Å; A143-Y147 WeakPolarHBondContact O-CB 3.41Å; A143-Y147 PolarHBondContact O-N 3.01Å; A143-Y285 HydrophobicContact CB-CD1 3.66Å; A143-Y285 HydrophobicContact CB-CD2 3.86Å; A143-Y285 HydrophobicContact CB-CE1 4.14Å; A143-Y285 HydrophobicContact CB-CE2 4.32Å; A143-Y285 HydrophobicContact CB-CG 3.52Å
144	A	98.8	Very high	98.4	Very high	17 Å²	17	22.8 Å²	22.8	14%	0.14	11%	0.108	C	C	.	.	H	α-helix	trans	-61.8	-41.1	176.8	0	0	0	0	0	112.8	L84 H87 F90 D140 A141 I142 Y147 I148	L84-A144 HydrophobicContact CD2-CB 3.97Å; H87-A144 VanDerWaalsContact CD2-CB 3.41Å; H87-A144 WeakPolarHBondContact CD2-CB 3.08Å; F90-A144 HydrophobicContact CE2-CB 4.16Å; D140-A144 PolarHBondContact O-N 3.01Å; A141-A144 PolarHBondContact O-N 3.01Å; I142-A144 PolarHBondContact O-N 3.3Å; A144-Y147 WeakPolarHBondContact O-CB 3.44Å; A144-Y147 PolarHBondContact O-N 3.07Å; A144-I148 PolarHBondContact O-N 2.93Å
145	L	98.8	Very high	98.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-64.4	-42.8	175.1	-177.3	67.2	0	0	0	111.8	I80 L84 F90 A141 I142 A143 Y147 I148 Y150 H152 F177	I80-L145 HydrophobicContact CG2-CD1 3.72Å; L84-L145 HydrophobicContact CD1-CD1 4Å; F90-L145 HydrophobicContact CZ-CB 4.32Å; A141-L145 PolarHBondContact O-N 3.03Å; I142-L145 PolarHBondContact O-N 2.94Å; A143-L145 PolarHBondContact O-N 2.93Å; L145-Y147 VanDerWaalsContact C-N 3.32Å; L145-I148 HydrophobicContact CD1-CD1 4.23Å; L145-I148 HydrophobicContact CD1-CG1 4.45Å; L145-I148 WeakPolarHBondContact O-CG1 3.19Å; L145-I148 PolarHBondContact O-N 3.41Å; L145-Y150 CarbonylContact C-O 3.58Å; L145-Y150 PolarHBondContact O-N 2.87Å; L145-Y150 VanDerWaalsContact O-N 3.14Å; L145-Y150 VanDerWaalsContact O-O 3.04Å; L145-H152 HydrophobicContact CD2-CB 3.6Å; L145-F177 HydrophobicContact CD1-CD1 4.22Å; L145-F177 HydrophobicContact CD1-CE1 3.89Å; L145-F177 HydrophobicContact CD2-CD1 4.47Å; L145-F177 HydrophobicContact CD2-CE1 4.08Å
146	H	98.7	Very high	98.4	Very high	6 Å²	6	23 Å²	23	3%	0.028	11%	0.11	C	C	.	.	H	α-helix	trans	-65.5	-37.2	177.8	-70.9	177.2	0	0	0	112	I142 A143 G149 Y150 H183 R218 D221 Y285	I142-H146 WeakPolarHBondContact CG2-CE1 3.35Å; I142-H146 WeakPolarHBondContact O-CB 3.46Å; I142-H146 PolarHBondContact O-CD2 2.67Å; I142-H146 PolarHBondContact O-N 3.37Å; A143-H146 PolarHBondContact O-N 3.3Å; H146-G149 WeakPolarHBondContact O-CA 3.46Å; H146-G149 PolarHBondContact O-N 3.29Å; H146-Y150 WeakPolarHBondContact CA-O 3.47Å; H146-Y150 PolarHBondContact CD2-O 3.12Å; H146-Y150 PolarHBondContact N-O 3.22Å; H146-H183 PolarHBondContact O-NE2 3.43Å; H146-R218 HydrophobicContact CB-CG 4.19Å; H146-R218 VanDerWaalsContact CE1-CA 3.46Å; H146-R218 WeakPolarHBondContact CE1-CA 3.4Å; H146-R218 VanDerWaalsContact CE1-CB 3.47Å; H146-R218 WeakPolarHBondContact CE1-CB 3.28Å; H146-R218 PolarHBondContact CE1-O 3.01Å; H146-R218 WeakPolarHBondContact ND1-CB 3.33Å; H146-D221 IonicContact NE2-OD2 3.12Å; H146-D221 PolarHBondContact NE2-OD2 3.14Å; H146-D221 VanDerWaalsContact NE2-OD2 3.11Å; H146-Y285 AromaticContact ND1-CE1 3.61Å; H146-Y285 AromaticContact ND1-CZ 3.52Å; H146-Y285 PolarHBondContact ND1-OH 3Å
147	Y	98	Very high	98.4	Very high	207 Å²	207	22 Å²	22	81%	0.812	10%	0.104	S	C	*	.	H	α-helix	trans	-61.4	-42.1	177.5	178.9	-100	0	0	0	112.1	A143 A144 L145 G149	A143-Y147 WeakPolarHBondContact O-CB 3.41Å; A143-Y147 PolarHBondContact O-N 3.01Å; A144-Y147 WeakPolarHBondContact O-CB 3.44Å; A144-Y147 PolarHBondContact O-N 3.07Å; L145-Y147 VanDerWaalsContact C-N 3.32Å; Y147-G149 PolarHBondContact O-N 2.85Å; Y147-G149 VanDerWaalsContact O-N 3.13Å
148	I	97.7	Very high	98.3	Very high	32 Å²	32	23.2 Å²	23.2	16%	0.164	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	5.1	174	68.9	157.7	0	0	0	113.2	I80 Q83 L84 A144 L145 Y150	I80-I148 HydrophobicContact CB-CD1 4.44Å; I80-I148 HydrophobicContact CG1-CD1 4.41Å; I80-I148 HydrophobicContact CG2-CD1 4.17Å; Q83-I148 HydrophobicContact CB-CB 4.45Å; Q83-I148 HydrophobicContact CB-CD1 3.96Å; Q83-I148 HydrophobicContact CB-CG2 4.03Å; L84-I148 HydrophobicContact CD1-CD1 3.89Å; L84-I148 HydrophobicContact CD2-CD1 4.35Å; L84-I148 HydrophobicContact CD2-CG2 4.15Å; L84-I148 HydrophobicContact CG-CD1 3.94Å; A144-I148 PolarHBondContact O-N 2.93Å; L145-I148 HydrophobicContact CD1-CD1 4.23Å; L145-I148 HydrophobicContact CD1-CG1 4.45Å; L145-I148 WeakPolarHBondContact O-CG1 3.19Å; L145-I148 PolarHBondContact O-N 3.41Å; I148-Y150 HydrophobicContact CD1-CD2 4.23Å; I148-Y150 HydrophobicContact CG1-CD2 4.21Å; I148-Y150 WeakPolarHBondContact O-CD2 3.25Å
149	G	97.9	Very high	98.2	Very high	3 Å²	3	23.3 Å²	23.3	3%	0.031	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.4	15.8	171.3	0	0	0	0	0	115.5	H146 Y147 R182 H183	H146-G149 WeakPolarHBondContact O-CA 3.46Å; H146-G149 PolarHBondContact O-N 3.29Å; Y147-G149 PolarHBondContact O-N 2.85Å; Y147-G149 VanDerWaalsContact O-N 3.13Å; G149-R182 CarbonylContact O-C 3.49Å; G149-R182 VanDerWaalsContact O-CA 3.23Å; G149-R182 WeakPolarHBondContact O-CA 3.5Å; G149-R182 WeakPolarHBondContact O-CG 3.43Å; G149-H183 PolarHBondContact O-CD2 3.07Å; G149-H183 VanDerWaalsContact O-CD2 3.29Å; G149-H183 PolarHBondContact O-N 3.48Å
150	Y	98.3	Very high	98.2	Very high	25 Å²	25	23.4 Å²	23.4	10%	0.098	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	145.3	-177.6	-74.5	-103.4	0	0	0	112.2	M76 Y79 I80 L145 H146 I148 R181 R182 H183	M76-Y150 HydrophobicContact CG-CE1 3.76Å; M76-Y150 HydrophobicContact SD-CD1 4.34Å; M76-Y150 HydrophobicContact SD-CE1 4.02Å; Y79-Y150 AromaticContact CD1-CE2 3.97Å; Y79-Y150 HydrophobicContact CD1-CE2 3.97Å; Y79-Y150 AromaticContact CD1-CZ 3.95Å; Y79-Y150 AromaticContact CE1-CE2 3.63Å; Y79-Y150 HydrophobicContact CE1-CE2 3.63Å; I80-Y150 HydrophobicContact CD1-CD1 3.61Å; I80-Y150 HydrophobicContact CD1-CE1 3.99Å; I80-Y150 HydrophobicContact CD1-CG 4.04Å; I80-Y150 HydrophobicContact CG1-CD1 3.94Å; I80-Y150 HydrophobicContact CG1-CD2 4.29Å; I80-Y150 HydrophobicContact CG1-CE1 4.09Å; I80-Y150 HydrophobicContact CG1-CE2 4.49Å; I80-Y150 HydrophobicContact CG1-CG 4.03Å; L145-Y150 CarbonylContact C-O 3.58Å; L145-Y150 PolarHBondContact O-N 2.87Å; L145-Y150 VanDerWaalsContact O-N 3.14Å; L145-Y150 VanDerWaalsContact O-O 3.04Å; H146-Y150 WeakPolarHBondContact CA-O 3.47Å; H146-Y150 PolarHBondContact CD2-O 3.12Å; H146-Y150 PolarHBondContact N-O 3.22Å; I148-Y150 HydrophobicContact CD1-CD2 4.23Å; I148-Y150 HydrophobicContact CG1-CD2 4.21Å; I148-Y150 WeakPolarHBondContact O-CD2 3.25Å; Y150-R181 WeakPolarHBondContact CA-O 3.18Å; Y150-R182 HydrophobicContact CD1-CB 4.32Å; Y150-R182 HydrophobicContact CD2-CG 4.49Å; Y150-R182 HydrophobicContact CE1-CB 3.96Å; Y150-R182 HydrophobicContact CE2-CB 4.35Å; Y150-R182 HydrophobicContact CE2-CG 4.04Å; Y150-H183 PolarHBondContact N-CD2 3.35Å
151	V	98.3	Very high	98.1	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	143.6	163.6	-70.4	0	0	0	0	108.8	R153 A180 R181 H183 R218 D221	V151-R153 HydrophobicContact CB-CG 4.17Å; V151-R153 HydrophobicContact CG2-CG 3.65Å; V151-A180 CarbonylContact O-C 3.51Å; V151-A180 WeakPolarHBondContact O-CA 3.5Å; V151-R181 HydrophobicContact CG2-CB 4.4Å; V151-R181 WeakPolarHBondContact CG2-O 3.48Å; V151-R181 PolarHBondContact N-O 3.23Å; V151-R181 PolarHBondContact O-N 3.11Å; V151-H183 HydrophobicContact CG1-CB 4.07Å; V151-H183 HydrophobicContact CG2-CB 4.42Å; V151-R218 HydrophobicContact CG1-CG 4.05Å; V151-D221 WeakPolarHBondContact CA-OD2 3.43Å; V151-D221 WeakPolarHBondContact CB-OD2 3.47Å
152	H	98.4	Very high	97.9	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.096	C	C	.	.			trans	-76.5	-45.1	-177.8	-170.3	-67.2	0	0	0	112.7	L145 N154 I155 I174 Q176 F177 T179 A180 D221	L145-H152 HydrophobicContact CD2-CB 3.6Å; H152-N154 VanDerWaalsContact C-N 3.26Å; H152-N154 PolarHBondContact CE1-O 3.3Å; H152-N154 VanDerWaalsContact CE1-O 3.28Å; H152-N154 VanDerWaalsContact ND1-C 3.34Å; H152-N154 PolarHBondContact ND1-N 3.16Å; H152-N154 VanDerWaalsContact ND1-N 3.18Å; H152-N154 PolarHBondContact O-N 2.94Å; H152-I155 HydrophobicContact CB-CD1 3.75Å; H152-I155 HydrophobicContact CB-CG1 4.18Å; H152-I155 VanDerWaalsContact CG-CD1 3.45Å; H152-I174 VanDerWaalsContact CD2-CG2 3.4Å; H152-I174 WeakPolarHBondContact CD2-CG2 3.39Å; H152-I174 WeakPolarHBondContact NE2-CG2 3.45Å; H152-Q176 PolarHBondContact CE1-O 3.11Å; H152-Q176 PolarHBondContact NE2-O 3.19Å; H152-F177 AromaticContact CD2-CE1 3.91Å; H152-T179 CarbonylContact O-C 3.46Å; H152-T179 VanDerWaalsContact O-C 3.3Å; H152-T179 PolarHBondContact O-OG1 3.42Å; H152-A180 PolarHBondContact O-N 3.18Å; H152-D221 PolarHBondContact N-OD2 2.86Å
153	R	97.3	Very high	97.3	Very high	27 Å²	27	20.6 Å²	20.6	10%	0.102	10%	0.098	C	C	.	.	S	Bend	trans	63.6	17.6	-180	-48.8	-171.9	-66.7	166.4	-1.1	116.1	V151 T179 A180 S216 D221	V151-R153 HydrophobicContact CB-CG 4.17Å; V151-R153 HydrophobicContact CG2-CG 3.65Å; R153-T179 PolarHBondContact NE-O 3.29Å; R153-T179 PolarHBondContact NH2-O 3.11Å; R153-A180 PolarHBondContact NH2-O 3.35Å; R153-S216 VanDerWaalsContact CD-CB 3.48Å; R153-D221 WeakPolarHBondContact CA-OD1 3.11Å; R153-D221 PolarHBondContact N-OD1 3.05Å
154	N	96.6	Very high	96.4	Very high	14 Å²	14	23.6 Å²	23.6	8%	0.075	11%	0.114	C	C	.	.			trans	-163.2	44	-178.9	-160.3	28.7	0	0	0	113.1	H152 T156 N159 T179 G201 D202	H152-N154 VanDerWaalsContact C-N 3.26Å; H152-N154 PolarHBondContact CE1-O 3.3Å; H152-N154 VanDerWaalsContact CE1-O 3.28Å; H152-N154 VanDerWaalsContact ND1-C 3.34Å; H152-N154 PolarHBondContact ND1-N 3.16Å; H152-N154 VanDerWaalsContact ND1-N 3.18Å; H152-N154 PolarHBondContact O-N 2.94Å; N154-T156 PolarHBondContact O-N 2.83Å; N154-N159 PolarHBondContact ND2-ND2 3.32Å; N154-N159 VanDerWaalsContact ND2-ND2 3.12Å; N154-N159 PolarHBondContact O-ND2 2.74Å; N154-T179 HydrophobicContact CB-CG2 4.2Å; N154-T179 WeakPolarHBondContact CB-OG1 3.25Å; N154-G201 WeakPolarHBondContact OD1-CA 3.49Å; N154-D202 PolarHBondContact OD1-N 3.47Å
155	I	98.7	Very high	95.6	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	13%	0.129	C	C	.	.			trans	-69.7	116.1	173.8	-57.1	-62.6	0	0	0	108.6	I142 H152 I174 D221 S224 L225 T228	I142-I155 HydrophobicContact CD1-CD1 4.35Å; I142-I155 HydrophobicContact CD1-CG1 4.15Å; I142-I155 HydrophobicContact CG1-CD1 4.22Å; I142-I155 HydrophobicContact CG1-CG1 4.46Å; H152-I155 HydrophobicContact CB-CD1 3.75Å; H152-I155 HydrophobicContact CB-CG1 4.18Å; H152-I155 VanDerWaalsContact CG-CD1 3.45Å; I155-I174 HydrophobicContact CD1-CD1 3.93Å; I155-D221 HydrophobicContact CG1-CB 4.25Å; I155-S224 WeakPolarHBondContact O-CB 2.99Å; I155-L225 HydrophobicContact CG2-CB 4.35Å; I155-T228 PolarHBondContact O-OG1 3.46Å
156	T	98.2	Very high	94.6	Very high	4 Å²	4	30.4 Å²	30.4	3%	0.025	15%	0.147	C	C	.	.			trans	-149.5	161.3	-176.6	70.7	0	0	0	0	110.3	N154 D158 N159 L160 D202 Y205	N154-T156 PolarHBondContact O-N 2.83Å; T156-D158 PolarHBondContact O-N 3.24Å; T156-D158 VanDerWaalsContact O-N 3.09Å; T156-D158 PolarHBondContact OG1-N 2.84Å; T156-N159 PolarHBondContact O-N 2.86Å; T156-N159 PolarHBondContact OG1-N 3.4Å; T156-L160 PolarHBondContact O-N 3.22Å; T156-D202 HydrophobicContact CG2-CB 4.03Å; T156-Y205 HydrophobicContact CG2-CD2 3.32Å; T156-Y205 HydrophobicContact CG2-CE2 3.83Å; T156-Y205 HydrophobicContact CG2-CG 3.73Å
157	P	98.6	Very high	93.8	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-27.6	172.5	-28.3	35.4	0	0	0	115.1	L114 R115 Y205 T228 E231 F232	L114-P157 PolarHBondContact N-O 2.77Å; R115-P157 HydrophobicContact CB-CB 3.95Å; R115-P157 PolarHBondContact N-O 3.45Å; P157-Y205 VanDerWaalsContact CD-CZ 3.49Å; P157-Y205 HydrophobicContact CG-CE1 4.05Å; P157-T228 HydrophobicContact CG-CG2 4Å; P157-E231 WeakPolarHBondContact CG-OE2 3.17Å; P157-F232 HydrophobicContact CB-CE1 3.85Å; P157-F232 HydrophobicContact CB-CZ 4.32Å; P157-F232 HydrophobicContact CG-CE1 3.7Å; P157-F232 HydrophobicContact CG-CZ 4.25Å
158	D	96.3	Very high	93.1	Very high	61 Å²	61	27 Å²	27	33%	0.326	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-23	-179.4	-68.8	-95.9	0	0	0	112.3	R115 T156 W175	R115-D158 WeakPolarHBondContact CG-OD1 3.27Å; R115-D158 IonicContact NE-OD2 3.18Å; R115-D158 PolarHBondContact NE-OD2 3.06Å; R115-D158 IonicContact NH2-OD2 3.97Å; T156-D158 PolarHBondContact O-N 3.24Å; T156-D158 VanDerWaalsContact O-N 3.09Å; T156-D158 PolarHBondContact OG1-N 2.84Å; D158-W175 PolarHBondContact O-NE1 2.93Å
159	N	97.3	Very high	92.5	Very high	3 Å²	3	25.5 Å²	25.5	2%	0.016	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-0.1	179.2	-69.9	-16.2	0	0	0	113.8	N154 T156 W175 Q176	N154-N159 PolarHBondContact ND2-ND2 3.32Å; N154-N159 VanDerWaalsContact ND2-ND2 3.12Å; N154-N159 PolarHBondContact O-ND2 2.74Å; T156-N159 PolarHBondContact O-N 2.86Å; T156-N159 PolarHBondContact OG1-N 3.4Å; N159-W175 VanDerWaalsContact O-CD1 3.25Å; N159-W175 PolarHBondContact O-N 3.46Å; N159-Q176 PolarHBondContact OD1-OE1 3.14Å; N159-Q176 VanDerWaalsContact OD1-OE1 3.13Å
160	L	98.4	Very high	92.2	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.01	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	123.7	171.1	-62.5	174.3	0	0	0	108.6	S113 L114 T156 V172 R173 I174 T228 F232	S113-L160 CarbonylContact C-O 3.5Å; S113-L160 VanDerWaalsContact CA-O 3.25Å; S113-L160 WeakPolarHBondContact CA-O 3.43Å; L114-L160 HydrophobicContact CB-CB 4.44Å; L114-L160 HydrophobicContact CD1-CB 3.67Å; L114-L160 HydrophobicContact CD1-CD1 3.95Å; L114-L160 HydrophobicContact CD1-CG 4.47Å; L114-L160 HydrophobicContact CG-CB 3.96Å; L114-L160 PolarHBondContact N-O 3.32Å; T156-L160 PolarHBondContact O-N 3.22Å; L160-V172 HydrophobicContact CB-CG1 4Å; L160-V172 HydrophobicContact CD2-CG1 4.24Å; L160-R173 WeakPolarHBondContact CA-O 3.25Å; L160-I174 HydrophobicContact CD2-CG1 3.74Å; L160-T228 HydrophobicContact CD1-CG2 4.05Å; L160-F232 HydrophobicContact CD1-CZ 4.49Å
161	I	96.5	Very high	92.1	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	152.7	-177.2	54.4	160.7	0	0	0	111.3	V110 K112 V172 R173 W175	V110-I161 HydrophobicContact CB-CD1 4.16Å; V110-I161 HydrophobicContact CG1-CD1 3.98Å; K112-I161 WeakPolarHBondContact O-CA 3.39Å; I161-V172 CarbonylContact O-C 3.52Å; I161-V172 WeakPolarHBondContact O-CA 3.06Å; I161-R173 HydrophobicContact CG1-CB 4.08Å; I161-R173 WeakPolarHBondContact CG1-O 3.36Å; I161-R173 PolarHBondContact N-O 3.26Å; I161-R173 PolarHBondContact O-N 2.82Å; I161-W175 HydrophobicContact CD1-CB 3.66Å; I161-W175 HydrophobicContact CD1-CG 4.1Å; I161-W175 HydrophobicContact CG1-CB 3.94Å; I161-W175 HydrophobicContact CG1-CG 4.2Å; I161-W175 HydrophobicContact CG2-CG 4.17Å
162	I	94.5	Very high	92	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.01	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	164.1	169.1	61.4	167.9	0	0	0	110.3	G111 K112 L114 V117 V172 W309	G111-I162 WeakPolarHBondContact CA-O 3.33Å; G111-I162 PolarHBondContact N-O 2.99Å; K112-I162 HydrophobicContact CB-CG1 4.35Å; K112-I162 WeakPolarHBondContact O-CG1 3.5Å; K112-I162 PolarHBondContact O-N 2.95Å; L114-I162 HydrophobicContact CD2-CG2 3.76Å; V117-I162 HydrophobicContact CG2-CD1 3.84Å; V117-I162 HydrophobicContact CG2-CG1 4.35Å; I162-V172 HydrophobicContact CG2-CG2 4.47Å; I162-W309 HydrophobicContact CD1-CB 4.24Å; I162-W309 HydrophobicContact CD1-CD2 4.4Å; I162-W309 HydrophobicContact CD1-CG 3.85Å; I162-W309 HydrophobicContact CG2-CD2 4.07Å; I162-W309 HydrophobicContact CG2-CH2 4.16Å; I162-W309 HydrophobicContact CG2-CZ2 3.68Å
163	D	86.8	Confident	92	Very high	8 Å²	8	29.7 Å²	29.7	4%	0.043	17%	0.165	C	C	.	.			trans	-70.6	153.3	169.7	-150.7	-50.2	0	0	0	111.9	P109 D165 N168	P109-D163 WeakPolarHBondContact CB-OD2 3.37Å; P109-D163 WeakPolarHBondContact CG-OD2 3.33Å; D163-D165 PolarHBondContact OD1-N 3.3Å; D163-N168 HydrophobicContact CB-CB 3.69Å; D163-N168 VanDerWaalsContact OD2-CB 3.31Å; D163-N168 WeakPolarHBondContact OD2-CB 3.41Å
164	V	80.5	Confident	92	Very high	83 Å²	83	28.6 Å²	28.6	50%	0.503	16%	0.162	S	C	.	.	S	Bend	trans	-72.1	-38.9	169	-159.6	0	0	0	0	109.8	V110 R313	V110-V164 WeakPolarHBondContact O-CG2 3.13Å; V164-R313 PolarHBondContact O-NH1 3.32Å
165	D	82.6	Confident	92	Very high	84 Å²	84	28.3 Å²	28.3	45%	0.449	16%	0.16	S	C	.	.	S	Bend	trans	-71.4	131.1	-179.2	-169.5	-9	0	0	0	111.1	D163 A167 N168 A169	D163-D165 PolarHBondContact OD1-N 3.3Å; D165-A167 VanDerWaalsContact C-N 3.26Å; D165-A167 PolarHBondContact O-N 3.46Å; D165-A167 PolarHBondContact OD1-N 3.38Å; D165-N168 CarbonylContact O-C 3.48Å; D165-N168 PolarHBondContact O-N 3.2Å; D165-A169 PolarHBondContact O-N 3.17Å
166	M	76.3	Confident	91.7	Very high	76 Å²	76	28.4 Å²	28.4	37%	0.374	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-66.2	-28.2	176.4	-73.8	-58.7	-60.9	0	0	113	N168 A169 Q310 R313	M166-N168 PolarHBondContact O-N 2.89Å; M166-A169 HydrophobicContact CE-CB 4.39Å; M166-A169 WeakPolarHBondContact O-CB 3.37Å; M166-A169 PolarHBondContact O-N 3.29Å; M166-A169 HydrophobicContact SD-CB 4.16Å; M166-Q310 HydrophobicContact CE-CB 4.11Å; M166-Q310 HydrophobicContact CE-CG 3.98Å; M166-R313 HydrophobicContact SD-CB 4.42Å; M166-R313 WeakPolarHBondContact SD-CD 3.31Å; M166-R313 HydrophobicContact SD-CG 4.47Å; M166-R313 PolarHBondContact SD-NH1 3.5Å
167	A	81.7	Confident	91.5	Very high	81 Å²	81	28.2 Å²	28.2	67%	0.669	16%	0.159	S	C	*	.	G	3₁₀ helix	trans	-62.9	-32.3	175.3	0	0	0	0	0	111.8	D165	D165-A167 VanDerWaalsContact C-N 3.26Å; D165-A167 PolarHBondContact O-N 3.46Å; D165-A167 PolarHBondContact OD1-N 3.38Å
168	N	84.7	Confident	91.1	Very high	60 Å²	60	29.2 Å²	29.2	32%	0.321	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-107.1	10.6	179.9	-63.2	-54.2	0	0	0	112.7	D163 D165 M166 Q170 I171	D163-N168 HydrophobicContact CB-CB 3.69Å; D163-N168 VanDerWaalsContact OD2-CB 3.31Å; D163-N168 WeakPolarHBondContact OD2-CB 3.41Å; D165-N168 CarbonylContact O-C 3.48Å; D165-N168 PolarHBondContact O-N 3.2Å; M166-N168 PolarHBondContact O-N 2.89Å; N168-Q170 PolarHBondContact O-N 3.11Å; N168-I171 HydrophobicContact CB-CD1 4.21Å; N168-I171 WeakPolarHBondContact O-CB 3.03Å; N168-I171 PolarHBondContact O-N 3.48Å
169	A	85.1	Confident	90.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-10.7	-176.4	0	0	0	0	0	113.1	D165 M166 I171 W309 Q310	D165-A169 PolarHBondContact O-N 3.17Å; M166-A169 HydrophobicContact CE-CB 4.39Å; M166-A169 WeakPolarHBondContact O-CB 3.37Å; M166-A169 PolarHBondContact O-N 3.29Å; M166-A169 HydrophobicContact SD-CB 4.16Å; A169-I171 VanDerWaalsContact C-N 3.28Å; A169-W309 WeakPolarHBondContact O-CZ2 3.24Å; A169-W309 PolarHBondContact O-NE1 3.17Å; A169-Q310 HydrophobicContact CB-CG 3.76Å
170	Q	91.1	Very high	90.9	Very high	60 Å²	60	26.9 Å²	26.9	28%	0.28	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-14.5	172.9	-58.2	-76.1	-6.8	0	0	112.8	Q137 N168 F307 Q310	Q137-Q170 PolarHBondContact NE2-O 3.36Å; Q137-Q170 PolarHBondContact OE1-O 2.98Å; N168-Q170 PolarHBondContact O-N 3.11Å; Q170-F307 HydrophobicContact CB-CD2 4.32Å; Q170-F307 HydrophobicContact CB-CE2 3.99Å; Q170-F307 WeakPolarHBondContact O-CE2 3.35Å; Q170-Q310 VanDerWaalsContact CD-OE1 3.26Å
171	I	95.4	Very high	90.7	Very high	30 Å²	30	27.8 Å²	27.8	15%	0.154	16%	0.156	C	C	.	.			trans	-93.7	126.1	-172.5	-55.1	176.4	0	0	0	110.4	T88 N168 A169 R173	T88-I171 VanDerWaalsContact O-CG2 3.24Å; T88-I171 WeakPolarHBondContact O-CG2 3.48Å; N168-I171 HydrophobicContact CB-CD1 4.21Å; N168-I171 WeakPolarHBondContact O-CB 3.03Å; N168-I171 PolarHBondContact O-N 3.48Å; A169-I171 VanDerWaalsContact C-N 3.28Å; I171-R173 HydrophobicContact CG2-CG 3.9Å
172	V	97.5	Very high	90.6	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.018	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	127.1	169.5	177.8	0	0	0	0	109.3	N89 L114 I134 L160 I161 I162 W309	N89-V172 WeakPolarHBondContact CB-O 3.45Å; N89-V172 PolarHBondContact ND2-O 2.54Å; L114-V172 HydrophobicContact CD1-CG1 3.98Å; I134-V172 HydrophobicContact CG1-CG2 4.17Å; L160-V172 HydrophobicContact CB-CG1 4Å; L160-V172 HydrophobicContact CD2-CG1 4.24Å; I161-V172 CarbonylContact O-C 3.52Å; I161-V172 WeakPolarHBondContact O-CA 3.06Å; I162-V172 HydrophobicContact CG2-CG2 4.47Å; V172-W309 HydrophobicContact CG2-CH2 3.98Å; V172-W309 HydrophobicContact CG2-CZ2 4.24Å
173	R	97.6	Very high	90.8	Very high	23 Å²	23	32 Å²	32	9%	0.087	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	143.1	-177.7	-54.1	-178.1	-175.3	-101.3	-5.5	112.6	T88 N89 F90 L160 I161 I171	T88-R173 PolarHBondContact O-NH1 2.93Å; N89-R173 CarbonylContact O-C 3.56Å; N89-R173 WeakPolarHBondContact O-CA 3.35Å; F90-R173 PolarHBondContact O-NH1 3.19Å; L160-R173 WeakPolarHBondContact CA-O 3.25Å; I161-R173 HydrophobicContact CG1-CB 4.08Å; I161-R173 WeakPolarHBondContact CG1-O 3.36Å; I161-R173 PolarHBondContact N-O 3.26Å; I161-R173 PolarHBondContact O-N 2.82Å; I171-R173 HydrophobicContact CG2-CG 3.9Å
174	I	98.1	Very high	91.3	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.021	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	125	162.6	-61.8	175.3	0	0	0	107.8	N89 F90 A141 I142 H152 I155 L160 F177	N89-I174 PolarHBondContact O-N 3.39Å; F90-I174 HydrophobicContact CD1-CB 4.14Å; F90-I174 HydrophobicContact CE1-CB 4Å; F90-I174 HydrophobicContact CE1-CD1 4.18Å; F90-I174 HydrophobicContact CE1-CG2 4.47Å; A141-I174 HydrophobicContact CB-CD1 3.81Å; A141-I174 HydrophobicContact CB-CG1 4.44Å; I142-I174 HydrophobicContact CG1-CD1 4.46Å; H152-I174 VanDerWaalsContact CD2-CG2 3.4Å; H152-I174 WeakPolarHBondContact CD2-CG2 3.39Å; H152-I174 WeakPolarHBondContact NE2-CG2 3.45Å; I155-I174 HydrophobicContact CD1-CD1 3.93Å; L160-I174 HydrophobicContact CD2-CG1 3.74Å; I174-F177 HydrophobicContact CB-CZ 4.3Å; I174-F177 HydrophobicContact CG2-CE1 3.88Å; I174-F177 HydrophobicContact CG2-CE2 4.39Å; I174-F177 HydrophobicContact CG2-CZ 3.61Å
175	W	95.1	Very high	92	Very high	9 Å²	9	31.1 Å²	31.1	3%	0.034	17%	0.165	C	C	.	.			trans	-115.1	-13.1	-173	76.7	-89.6	0	0	0	115.7	V48 Y61 K63 D158 N159 I161	V48-W175 HydrophobicContact CG1-CH2 4.05Å; V48-W175 HydrophobicContact CG1-CZ3 3.81Å; V48-W175 HydrophobicContact CG2-CH2 4.17Å; V48-W175 HydrophobicContact CG2-CZ3 4.16Å; Y61-W175 HydrophobicContact CD2-CD2 4.15Å; Y61-W175 AromaticContact CD2-CE3 3.71Å; Y61-W175 HydrophobicContact CD2-CE3 3.71Å; Y61-W175 HydrophobicContact CD2-CH2 4.36Å; Y61-W175 AromaticContact CD2-CZ3 3.83Å; Y61-W175 HydrophobicContact CD2-CZ3 3.83Å; Y61-W175 HydrophobicContact CE2-CD2 4.28Å; Y61-W175 HydrophobicContact CE2-CE3 4.27Å; Y61-W175 HydrophobicContact CE2-CZ3 4.4Å; K63-W175 PolarHBondContact NZ-O 3.49Å; D158-W175 PolarHBondContact O-NE1 2.93Å; N159-W175 VanDerWaalsContact O-CD1 3.25Å; N159-W175 PolarHBondContact O-N 3.46Å; I161-W175 HydrophobicContact CD1-CB 3.66Å; I161-W175 HydrophobicContact CD1-CG 4.1Å; I161-W175 HydrophobicContact CG1-CB 3.94Å; I161-W175 HydrophobicContact CG1-CG 4.2Å; I161-W175 HydrophobicContact CG2-CG 4.17Å
176	Q	93.2	Very high	92.4	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.009	18%	0.183	C	C	.	.			trans	-129.6	117.9	-169.5	171.4	164.5	91.4	0	0	113.3	H152 N159 V178	H152-Q176 PolarHBondContact CE1-O 3.11Å; H152-Q176 PolarHBondContact NE2-O 3.19Å; N159-Q176 PolarHBondContact OD1-OE1 3.14Å; N159-Q176 VanDerWaalsContact OD1-OE1 3.13Å; Q176-V178 HydrophobicContact CG-CB 4.34Å; Q176-V178 HydrophobicContact CG-CG1 3.78Å
177	F	94.7	Very high	93.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.2	C	C	.	.			trans	-113.4	16.1	-178.5	-59.5	-81.5	0	0	0	114.5	E77 I80 L81 F90 L145 H152 I174 T179 A180	E77-F177 HydrophobicContact CB-CB 4.4Å; E77-F177 HydrophobicContact CG-CB 4.05Å; E77-F177 HydrophobicContact CG-CD2 4.06Å; E77-F177 WeakPolarHBondContact OE1-CD2 3.49Å; E77-F177 PolarHBondContact OE1-N 3.15Å; I80-F177 HydrophobicContact CD1-CB 4.02Å; I80-F177 HydrophobicContact CD1-CD1 4.2Å; I80-F177 HydrophobicContact CD1-CG 4.25Å; I80-F177 HydrophobicContact CG2-CD1 3.85Å; I80-F177 HydrophobicContact CG2-CD2 4.29Å; I80-F177 HydrophobicContact CG2-CE1 3.93Å; I80-F177 HydrophobicContact CG2-CE2 4.39Å; I80-F177 HydrophobicContact CG2-CG 4.04Å; I80-F177 HydrophobicContact CG2-CZ 4.22Å; L81-F177 HydrophobicContact CD2-CD2 4.19Å; L81-F177 HydrophobicContact CD2-CE2 3.68Å; L81-F177 HydrophobicContact CG-CE2 4.46Å; F90-F177 HydrophobicContact CD1-CE1 4.44Å; F90-F177 HydrophobicContact CD1-CE2 4.35Å; F90-F177 AromaticContact CD1-CZ 3.56Å; F90-F177 HydrophobicContact CD1-CZ 3.56Å; F90-F177 HydrophobicContact CE1-CE1 4.1Å; F90-F177 AromaticContact CE1-CZ 3.65Å; F90-F177 HydrophobicContact CE1-CZ 3.65Å; L145-F177 HydrophobicContact CD1-CD1 4.22Å; L145-F177 HydrophobicContact CD1-CE1 3.89Å; L145-F177 HydrophobicContact CD2-CD1 4.47Å; L145-F177 HydrophobicContact CD2-CE1 4.08Å; H152-F177 AromaticContact CD2-CE1 3.91Å; I174-F177 HydrophobicContact CB-CZ 4.3Å; I174-F177 HydrophobicContact CG2-CE1 3.88Å; I174-F177 HydrophobicContact CG2-CE2 4.39Å; I174-F177 HydrophobicContact CG2-CZ 3.61Å; F177-T179 PolarHBondContact O-N 3.35Å; F177-A180 HydrophobicContact CB-CB 3.95Å; F177-A180 HydrophobicContact CD1-CB 4.29Å; F177-A180 VanDerWaalsContact O-CB 3.22Å; F177-A180 WeakPolarHBondContact O-CB 3.48Å; F177-A180 PolarHBondContact O-N 2.93Å
178	V	90.4	Very high	93.8	Very high	22 Å²	22	36.5 Å²	36.5	13%	0.133	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-33.6	180	67.9	0	0	0	0	113.3	N43 L46 V73 Q176	N43-V178 WeakPolarHBondContact ND2-CG2 3.25Å; L46-V178 HydrophobicContact CD1-CB 4.23Å; L46-V178 HydrophobicContact CD1-CG2 3.97Å; V73-V178 HydrophobicContact CG1-CB 4.22Å; V73-V178 HydrophobicContact CG1-CG2 3.82Å; Q176-V178 HydrophobicContact CG-CB 4.34Å; Q176-V178 HydrophobicContact CG-CG1 3.78Å
179	T	92.5	Very high	94.4	Very high	12 Å²	12	39.6 Å²	39.6	7%	0.074	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	1.5	178.3	56.6	0	0	0	0	112.6	H152 R153 N154 F177	H152-T179 CarbonylContact O-C 3.46Å; H152-T179 VanDerWaalsContact O-C 3.3Å; H152-T179 PolarHBondContact O-OG1 3.42Å; R153-T179 PolarHBondContact NE-O 3.29Å; R153-T179 PolarHBondContact NH2-O 3.11Å; N154-T179 HydrophobicContact CB-CG2 4.2Å; N154-T179 WeakPolarHBondContact CB-OG1 3.25Å; F177-T179 PolarHBondContact O-N 3.35Å
180	A	95.3	Very high	94.9	Very high	2 Å²	2	42.2 Å²	42.2	2%	0.017	22%	0.215	C	C	.	.			trans	-62.9	158.8	-177.7	0	0	0	0	0	111.2	M76 I80 V151 H152 R153 F177	M76-A180 HydrophobicContact SD-CB 3.96Å; I80-A180 HydrophobicContact CD1-CB 3.66Å; V151-A180 CarbonylContact O-C 3.51Å; V151-A180 WeakPolarHBondContact O-CA 3.5Å; H152-A180 PolarHBondContact O-N 3.18Å; R153-A180 PolarHBondContact NH2-O 3.35Å; F177-A180 HydrophobicContact CB-CB 3.95Å; F177-A180 HydrophobicContact CD1-CB 4.29Å; F177-A180 VanDerWaalsContact O-CB 3.22Å; F177-A180 WeakPolarHBondContact O-CB 3.48Å; F177-A180 PolarHBondContact O-N 2.93Å
181	R	94.8	Very high	95.2	Very high	22 Å²	22	44 Å²	44	8%	0.083	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	139.1	175.8	177.9	175	179.4	-97.2	1.1	110.8	Y150 V151 H183 R191 D215	Y150-R181 WeakPolarHBondContact CA-O 3.18Å; V151-R181 HydrophobicContact CG2-CB 4.4Å; V151-R181 WeakPolarHBondContact CG2-O 3.48Å; V151-R181 PolarHBondContact N-O 3.23Å; V151-R181 PolarHBondContact O-N 3.11Å; R181-H183 PolarHBondContact O-N 3.28Å; R181-R191 VanDerWaalsContact NH2-CZ 3.29Å; R181-D215 IonicContact CZ-OD2 3.82Å; R181-D215 IonicContact NH1-OD1 2.86Å; R181-D215 IonicContact NH1-OD2 3.6Å; R181-D215 PolarHBondContact NH1-OD2 3.24Å; R181-D215 VanDerWaalsContact NH1-OD2 3.17Å; R181-D215 IonicContact NH2-OD2 2.82Å
182	R	95.9	Very high	95.2	Very high	86 Å²	86	51.6 Å²	51.6	33%	0.325	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	118.3	170.5	-156.2	-176.2	175.1	177.2	-1.6	111.1	G149 Y150 V184 D185 R191	G149-R182 CarbonylContact O-C 3.49Å; G149-R182 VanDerWaalsContact O-CA 3.23Å; G149-R182 WeakPolarHBondContact O-CA 3.5Å; G149-R182 WeakPolarHBondContact O-CG 3.43Å; Y150-R182 HydrophobicContact CD1-CB 4.32Å; Y150-R182 HydrophobicContact CD2-CG 4.49Å; Y150-R182 HydrophobicContact CE1-CB 3.96Å; Y150-R182 HydrophobicContact CE2-CB 4.35Å; Y150-R182 HydrophobicContact CE2-CG 4.04Å; R182-V184 WeakPolarHBondContact CD-O 3.43Å; R182-V184 HydrophobicContact CG-CG2 4.18Å; R182-V184 VanDerWaalsContact CG-O 3.29Å; R182-V184 WeakPolarHBondContact CG-O 3.28Å; R182-V184 PolarHBondContact NE-O 3.28Å; R182-D185 PolarHBondContact NH2-O 2.72Å; R182-R191 WeakPolarHBondContact O-CD 3.11Å; R182-R191 PolarHBondContact O-NH1 2.93Å; R182-R191 VanDerWaalsContact O-NH1 3.11Å
183	H	96.7	Very high	95.1	Very high	5 Å²	5	55.2 Å²	55.2	2%	0.023	28%	0.275	C	S	.	.			trans	-92.8	-21.1	178.8	77.2	76.8	0	0	0	112.8	H146 G149 Y150 V151 R181 R191 R218	H146-H183 PolarHBondContact O-NE2 3.43Å; G149-H183 PolarHBondContact O-CD2 3.07Å; G149-H183 VanDerWaalsContact O-CD2 3.29Å; G149-H183 PolarHBondContact O-N 3.48Å; Y150-H183 PolarHBondContact N-CD2 3.35Å; V151-H183 HydrophobicContact CG1-CB 4.07Å; V151-H183 HydrophobicContact CG2-CB 4.42Å; R181-H183 PolarHBondContact O-N 3.28Å; H183-R191 WeakPolarHBondContact O-CB 3.44Å; H183-R191 VanDerWaalsContact O-CG 3.29Å; H183-R191 WeakPolarHBondContact O-CG 3.45Å; H183-R191 PolarHBondContact O-N 3Å; H183-R218 PolarHBondContact CE1-NH1 3.13Å; H183-R218 VanDerWaalsContact CE1-NH1 3.32Å
184	V	97.5	Very high	94.9	Very high	19 Å²	19	58.1 Å²	58.1	12%	0.115	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-96.5	157	170.8	-57.3	0	0	0	0	112.7	R182 G188 E189 I190 R191	R182-V184 WeakPolarHBondContact CD-O 3.43Å; R182-V184 HydrophobicContact CG-CG2 4.18Å; R182-V184 VanDerWaalsContact CG-O 3.29Å; R182-V184 WeakPolarHBondContact CG-O 3.28Å; R182-V184 PolarHBondContact NE-O 3.28Å; V184-G188 WeakPolarHBondContact CG1-O 3.39Å; V184-E189 CarbonylContact C-O 3.36Å; V184-E189 WeakPolarHBondContact CA-O 3.36Å; V184-I190 HydrophobicContact CG1-CD1 4.23Å; V184-R191 VanDerWaalsContact C-CG 3.49Å; V184-R191 WeakPolarHBondContact O-CD 3.36Å
185	D	95.7	Very high	94.5	Very high	53 Å²	53	62.6 Å²	62.6	28%	0.283	32%	0.317	S	S	.	.			trans	-85.5	-169.7	169.1	72.9	11.9	0	0	0	112.1	R182 N187 G188 E189 R191	R182-D185 PolarHBondContact NH2-O 2.72Å; D185-N187 PolarHBondContact O-N 2.72Å; D185-N187 WeakPolarHBondContact OD1-CA 3.49Å; D185-N187 WeakPolarHBondContact OD1-CB 3.45Å; D185-N187 PolarHBondContact OD1-N 2.77Å; D185-G188 PolarHBondContact O-N 2.81Å; D185-G188 PolarHBondContact OD1-N 2.88Å; D185-G188 VanDerWaalsContact OD1-N 3.14Å; D185-E189 PolarHBondContact N-O 2.82Å; D185-E189 PolarHBondContact OD1-N 2.89Å; D185-R191 HydrophobicContact CB-CG 4.16Å
186	E	92.1	Very high	94.1	Very high	174 Å²	174	71.8 Å²	71.8	81%	0.813	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-23.2	179.7	-67.8	174	-173.2	0	0	113.2
187	N	94.4	Very high	93.9	Very high	137 Å²	137	74 Å²	74	73%	0.733	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-2.7	178.1	-55.8	-50.5	0	0	0	112.5	D185 E189	D185-N187 PolarHBondContact O-N 2.72Å; D185-N187 WeakPolarHBondContact OD1-CA 3.49Å; D185-N187 WeakPolarHBondContact OD1-CB 3.45Å; D185-N187 PolarHBondContact OD1-N 2.77Å; N187-E189 VanDerWaalsContact C-N 3.35Å; N187-E189 HydrophobicContact CB-CG 4.36Å
188	G	92.5	Very high	93.6	Very high	44 Å²	44	83.7 Å²	83.7	45%	0.454	41%	0.406	S	S	.	.	S	Bend	trans	86.7	3.4	-175.6	0	0	0	0	0	114	V184 D185	V184-G188 WeakPolarHBondContact CG1-O 3.39Å; D185-G188 PolarHBondContact O-N 2.81Å; D185-G188 PolarHBondContact OD1-N 2.88Å; D185-G188 VanDerWaalsContact OD1-N 3.14Å
189	E	96.3	Very high	93.4	Very high	125 Å²	125	84.5 Å²	84.5	58%	0.584	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-82.7	146.5	-178.5	-65	-60.4	142	0	0	111.5	V184 D185 N187 R191	V184-E189 CarbonylContact C-O 3.36Å; V184-E189 WeakPolarHBondContact CA-O 3.36Å; D185-E189 PolarHBondContact N-O 2.82Å; D185-E189 PolarHBondContact OD1-N 2.89Å; N187-E189 VanDerWaalsContact C-N 3.35Å; N187-E189 HydrophobicContact CB-CG 4.36Å; E189-R191 PolarHBondContact O-N 3.28Å
190	I	97.1	Very high	93.1	Very high	54 Å²	54	91.5 Å²	91.5	28%	0.277	44%	0.437	S	S	.	.	B	Isolated β-bridge	trans	-62.5	123.4	178.4	-53.1	-59.6	0	0	0	109.9	V184 Y279	V184-I190 HydrophobicContact CG1-CD1 4.23Å; I190-Y279 HydrophobicContact CG2-CE1 3.96Å
191	R	97.2	Very high	92.8	Very high	98 Å²	98	92.1 Å²	92.1	37%	0.37	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-64.2	141.3	178.5	-65.9	174.4	71	169.4	13.5	109.7	R181 R182 H183 V184 D185 E189 Y279	R181-R191 VanDerWaalsContact NH2-CZ 3.29Å; R182-R191 WeakPolarHBondContact O-CD 3.11Å; R182-R191 PolarHBondContact O-NH1 2.93Å; R182-R191 VanDerWaalsContact O-NH1 3.11Å; H183-R191 WeakPolarHBondContact O-CB 3.44Å; H183-R191 VanDerWaalsContact O-CG 3.29Å; H183-R191 WeakPolarHBondContact O-CG 3.45Å; H183-R191 PolarHBondContact O-N 3Å; V184-R191 VanDerWaalsContact C-CG 3.49Å; V184-R191 WeakPolarHBondContact O-CD 3.36Å; D185-R191 HydrophobicContact CB-CG 4.16Å; E189-R191 PolarHBondContact O-N 3.28Å; R191-Y279 WeakPolarHBondContact O-CE1 3.5Å; R191-Y279 PolarHBondContact O-OH 3.38Å
192	K	95.4	Very high	92.7	Very high	189 Å²	189	93.2 Å²	93.2	82%	0.822	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-56.2	136.2	172	-66.1	-175.6	-179.9	-179.4	0	111.1
193	P	94.8	Very high	92.7	Very high	79 Å²	79	91.3 Å²	91.3	51%	0.513	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-63.6	138.7	-179.8	25.2	-33.1	0	0	0	110.4	D215 Y279	P193-D215 HydrophobicContact CB-CB 4.11Å; P193-Y279 HydrophobicContact CB-CD1 3.8Å; P193-Y279 HydrophobicContact CB-CD2 4.34Å; P193-Y279 HydrophobicContact CB-CE1 3.74Å; P193-Y279 HydrophobicContact CB-CE2 4.3Å; P193-Y279 HydrophobicContact CB-CG 4.1Å; P193-Y279 HydrophobicContact CG-CD1 4.02Å; P193-Y279 HydrophobicContact CG-CE1 4.16Å
194	R	93.5	Very high	92.6	Very high	85 Å²	85	91.3 Å²	91.3	32%	0.321	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-82.4	147.3	169.7	-59.9	170.3	-65.2	157.7	8.4	109.8	L197 D215	R194-L197 HydrophobicContact CB-CD1 3.85Å; R194-L197 HydrophobicContact CB-CD2 4.09Å; R194-L197 HydrophobicContact CB-CG 4.11Å; R194-D215 WeakPolarHBondContact CB-OD2 3.27Å; R194-D215 WeakPolarHBondContact CG-OD2 3.48Å; R194-D215 IonicContact CZ-OD1 3.6Å; R194-D215 IonicContact CZ-OD2 3.49Å; R194-D215 PolarHBondContact N-OD2 2.8Å; R194-D215 VanDerWaalsContact N-OD2 3.15Å; R194-D215 IonicContact NE-OD1 2.59Å; R194-D215 IonicContact NE-OD2 3.68Å; R194-D215 PolarHBondContact NE-OD2 2.51Å; R194-D215 IonicContact NH2-OD1 3.61Å; R194-D215 PolarHBondContact NH2-OD1 2.97Å; R194-D215 IonicContact NH2-OD2 2.76Å; R194-D215 PolarHBondContact NH2-OD2 2.77Å
195	S	89.6	Confident	92.7	Very high	98 Å²	98	90.5 Å²	90.5	69%	0.685	44%	0.439	S	S	*	.	S	Bend	trans	-97.4	156.3	178.8	63.5	0	0	0	0	112.9	L197	S195-L197 PolarHBondContact O-N 2.73Å
196	K	86.7	Confident	92.7	Very high	201 Å²	201	88.3 Å²	88.3	87%	0.874	43%	0.429	S	S	*	.	S	Bend	trans	59.5	43.1	168.5	-56.1	-178.9	-178.6	178.4	0	113.4	G213	K196-G213 PolarHBondContact N-O 2.92Å
197	L	89.6	Confident	93	Very high	48 Å²	48	80.1 Å²	80.1	25%	0.251	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-83.8	157.6	-178.1	-67.6	174.6	0	0	0	112.5	R194 S195 G213 D215	R194-L197 HydrophobicContact CB-CD1 3.85Å; R194-L197 HydrophobicContact CB-CD2 4.09Å; R194-L197 HydrophobicContact CB-CG 4.11Å; S195-L197 PolarHBondContact O-N 2.73Å; L197-G213 PolarHBondContact N-O 2.72Å; L197-G213 VanDerWaalsContact O-CA 3.26Å; L197-G213 WeakPolarHBondContact O-CA 3.37Å; L197-D215 HydrophobicContact CD1-CB 3.65Å; L197-D215 VanDerWaalsContact CD1-CG 3.4Å; L197-D215 VanDerWaalsContact CD1-OD1 3.23Å; L197-D215 WeakPolarHBondContact CD1-OD1 3.4Å
198	R	87.2	Confident	93.1	Very high	204 Å²	204	75.3 Å²	75.3	77%	0.77	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-93.1	139	168.2	-63.5	-177	178.6	-149.8	-2.8	109.3	R200	R198-R200 PolarHBondContact O-N 2.67Å; R198-R200 VanDerWaalsContact O-N 3.15Å
199	C	87.7	Confident	93.2	Very high	40 Å²	40	75.1 Å²	75.1	27%	0.27	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-58	116	168.1	-178.1	0	0	0	0	109.6	G201 V210	C199-G201 PolarHBondContact SG-O 2.74Å; C199-G201 VanDerWaalsContact SG-O 3.38Å; C199-V210 HydrophobicContact CB-CG1 4.47Å
200	R	85.4	Confident	93.2	Very high	158 Å²	158	69.8 Å²	69.8	60%	0.596	33%	0.334	S	S	*	.			trans	-90.3	-28.2	178.2	-71.1	-162.8	176.5	-169.5	-3	113.3	R198	R198-R200 PolarHBondContact O-N 2.67Å; R198-R200 VanDerWaalsContact O-N 3.15Å
201	G	88.2	Confident	93.2	Very high	15 Å²	15	68.4 Å²	68.4	16%	0.155	33%	0.326	C	S	.	.	S	Bend	trans	-84.4	-176.5	176.9	0	0	0	0	0	113.2	N154 C199 Y203	N154-G201 WeakPolarHBondContact OD1-CA 3.49Å; C199-G201 PolarHBondContact SG-O 2.74Å; C199-G201 VanDerWaalsContact SG-O 3.38Å; G201-Y203 PolarHBondContact O-N 3.11Å
202	D	93.2	Very high	93.1	Very high	45 Å²	45	68.9 Å²	68.9	24%	0.241	33%	0.333	C	S	.	.			trans	-68.7	112.1	173.2	-174.2	-24.5	0	0	0	110	N154 T156 N204 Y205 A206	N154-D202 PolarHBondContact OD1-N 3.47Å; T156-D202 HydrophobicContact CG2-CB 4.03Å; D202-N204 PolarHBondContact O-N 2.92Å; D202-N204 VanDerWaalsContact OD1-CB 3.25Å; D202-N204 WeakPolarHBondContact OD1-CB 3.5Å; D202-N204 PolarHBondContact OD1-N 2.97Å; D202-N204 PolarHBondContact OD1-ND2 3.13Å; D202-Y205 HydrophobicContact CB-CD2 3.86Å; D202-Y205 HydrophobicContact CB-CE2 4.34Å; D202-Y205 PolarHBondContact O-N 2.8Å; D202-A206 PolarHBondContact O-N 3.4Å
203	Y	94.9	Very high	93	Very high	46 Å²	46	60.4 Å²	60.4	18%	0.18	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-15.5	-177.6	62.3	-100	0	0	0	113.4	L13 G201 Y205 Q211 H242 V247 K251	L13-Y203 PolarHBondContact O-OH 3.41Å; G201-Y203 PolarHBondContact O-N 3.11Å; Y203-Y205 PolarHBondContact O-N 3.29Å; Y203-Q211 PolarHBondContact O-OE1 3.36Å; Y203-H242 WeakPolarHBondContact CE2-O 3.41Å; Y203-H242 PolarHBondContact OH-O 3.38Å; Y203-V247 HydrophobicContact CD2-CB 4.08Å; Y203-V247 HydrophobicContact CD2-CG1 4.25Å; Y203-V247 HydrophobicContact CD2-CG2 3.84Å; Y203-V247 HydrophobicContact CE2-CB 4.41Å; Y203-V247 HydrophobicContact CE2-CG2 3.7Å; Y203-K251 PolarHBondContact O-NZ 3.28Å
204	N	96.2	Very high	93	Very high	6 Å²	6	59.4 Å²	59.4	3%	0.032	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-27.2	172.2	-66.8	-77.8	0	0	0	112	D202 L237 W239 R240 K251	D202-N204 PolarHBondContact O-N 2.92Å; D202-N204 VanDerWaalsContact OD1-CB 3.25Å; D202-N204 WeakPolarHBondContact OD1-CB 3.5Å; D202-N204 PolarHBondContact OD1-N 2.97Å; D202-N204 PolarHBondContact OD1-ND2 3.13Å; N204-L237 HydrophobicContact CB-CD1 3.95Å; N204-W239 PolarHBondContact O-NE1 2.97Å; N204-W239 VanDerWaalsContact O-NE1 3.09Å; N204-R240 PolarHBondContact ND2-NH1 3.31Å; N204-K251 VanDerWaalsContact O-CE 3.31Å; N204-K251 WeakPolarHBondContact O-CE 3.32Å; N204-K251 PolarHBondContact O-NZ 3.11Å; N204-K251 VanDerWaalsContact O-NZ 3.11Å
205	Y	98.1	Very high	93.1	Very high	1 Å²	1	55.5 Å²	55.5	0%	0.004	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115	-15.2	-177.7	-50.1	-89.5	0	0	0	113.2	R115 T156 P157 D202 Y203 S224 Y227 T228 E231 L237	R115-Y205 PolarHBondContact NH2-OH 3.09Å; T156-Y205 HydrophobicContact CG2-CD2 3.32Å; T156-Y205 HydrophobicContact CG2-CE2 3.83Å; T156-Y205 HydrophobicContact CG2-CG 3.73Å; P157-Y205 VanDerWaalsContact CD-CZ 3.49Å; P157-Y205 HydrophobicContact CG-CE1 4.05Å; D202-Y205 HydrophobicContact CB-CD2 3.86Å; D202-Y205 HydrophobicContact CB-CE2 4.34Å; D202-Y205 PolarHBondContact O-N 2.8Å; Y203-Y205 PolarHBondContact O-N 3.29Å; Y205-S224 WeakPolarHBondContact O-CA 3.39Å; Y205-S224 WeakPolarHBondContact O-CB 3.42Å; Y205-S224 PolarHBondContact O-OG 3.18Å; Y205-Y227 WeakPolarHBondContact O-CD2 3.4Å; Y205-T228 WeakPolarHBondContact CD1-OG1 3.19Å; Y205-E231 WeakPolarHBondContact CE1-OE2 3.38Å; Y205-E231 PolarHBondContact OH-OE2 3.38Å; Y205-L237 HydrophobicContact CD1-CD1 4.23Å; Y205-L237 HydrophobicContact CE1-CD1 3.7Å
206	A	97.5	Very high	93.4	Very high	8 Å²	8	51.3 Å²	51.3	7%	0.066	25%	0.25	C	S	.	.	S	Bend	trans	-56.2	144.6	173.5	0	0	0	0	0	111.3	D202 V210 Q211 K251	D202-A206 PolarHBondContact O-N 3.4Å; A206-V210 HydrophobicContact CB-CG1 4.22Å; A206-Q211 HydrophobicContact CB-CG 3.85Å; A206-K251 PolarHBondContact O-NZ 3.17Å
207	S	97.1	Very high	93.9	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.014	21%	0.21	C	C	.	.			trans	-61.8	162.5	171	61.8	0	0	0	0	111.7	S209 V210 Q211 D220	S207-S209 VanDerWaalsContact C-N 3.34Å; S207-S209 PolarHBondContact OG-OG 3.09Å; S207-V210 PolarHBondContact O-N 2.99Å; S207-V210 WeakPolarHBondContact OG-CB 3.39Å; S207-V210 VanDerWaalsContact OG-CG2 3.25Å; S207-V210 WeakPolarHBondContact OG-CG2 3.38Å; S207-V210 PolarHBondContact OG-N 3.01Å; S207-Q211 WeakPolarHBondContact O-CG 3.43Å; S207-Q211 PolarHBondContact O-N 3.2Å; S207-D220 WeakPolarHBondContact CB-OD1 3.36Å; S207-D220 VanDerWaalsContact OG-CG 3.31Å; S207-D220 PolarHBondContact OG-OD1 3.14Å
208	V	96.7	Very high	94.3	Very high	36 Å²	36	40.6 Å²	40.6	22%	0.218	20%	0.202	C	C	.	.	H	α-helix	trans	-58.3	-47.7	174.8	171.4	0	0	0	0	110.4	V210 Q211 E212 L248 K251 Q252	V208-V210 PolarHBondContact O-N 2.97Å; V208-Q211 PolarHBondContact O-N 2.9Å; V208-Q211 VanDerWaalsContact O-N 3.13Å; V208-E212 HydrophobicContact CG1-CG 4.39Å; V208-E212 WeakPolarHBondContact O-CG 3.15Å; V208-E212 PolarHBondContact O-N 2.93Å; V208-L248 HydrophobicContact CB-CD1 4.4Å; V208-L248 HydrophobicContact CG1-CD1 3.88Å; V208-L248 HydrophobicContact CG2-CD1 4.5Å; V208-K251 HydrophobicContact CG2-CB 3.76Å; V208-Q252 HydrophobicContact CG1-CG 4Å
209	S	95.8	Very high	94.9	Very high	40 Å²	40	31.2 Å²	31.2	28%	0.28	17%	0.167	S	C	.	.	H	α-helix	trans	-55.7	-45.7	178.8	53	0	0	0	0	112.8	S207 E212 G213 S214 D220	S207-S209 VanDerWaalsContact C-N 3.34Å; S207-S209 PolarHBondContact OG-OG 3.09Å; S209-E212 PolarHBondContact O-N 2.93Å; S209-G213 PolarHBondContact O-N 3.38Å; S209-S214 WeakPolarHBondContact O-CB 3.48Å; S209-S214 PolarHBondContact O-N 3.09Å; S209-S214 PolarHBondContact O-OG 2.99Å; S209-D220 PolarHBondContact OG-OD1 3.49Å
210	V	96.4	Very high	95.4	Very high	13 Å²	13	29.6 Å²	29.6	8%	0.079	16%	0.155	C	C	.	.	H	α-helix	trans	-68.2	-37.9	178.5	170.3	0	0	0	0	111.5	C199 A206 S207 V208 E212 G213 S216 D220	C199-V210 HydrophobicContact CB-CG1 4.47Å; A206-V210 HydrophobicContact CB-CG1 4.22Å; S207-V210 PolarHBondContact O-N 2.99Å; S207-V210 WeakPolarHBondContact OG-CB 3.39Å; S207-V210 VanDerWaalsContact OG-CG2 3.25Å; S207-V210 WeakPolarHBondContact OG-CG2 3.38Å; S207-V210 PolarHBondContact OG-N 3.01Å; V208-V210 PolarHBondContact O-N 2.97Å; V210-E212 VanDerWaalsContact C-N 3.29Å; V210-E212 PolarHBondContact O-N 3.36Å; V210-G213 PolarHBondContact O-N 3.31Å; V210-S216 VanDerWaalsContact CG2-OG 3.28Å; V210-S216 WeakPolarHBondContact CG2-OG 3.19Å; V210-D220 HydrophobicContact CG2-CB 3.92Å
211	Q	95.2	Very high	96	Very high	24 Å²	24	22.1 Å²	22.1	11%	0.112	13%	0.127	C	C	.	.	H	α-helix	trans	-68.3	-29.1	174.9	-74.4	-169.1	-98.7	0	0	112.7	Y203 A206 S207 V208 G213 S244 L248 K251	Y203-Q211 PolarHBondContact O-OE1 3.36Å; A206-Q211 HydrophobicContact CB-CG 3.85Å; S207-Q211 WeakPolarHBondContact O-CG 3.43Å; S207-Q211 PolarHBondContact O-N 3.2Å; V208-Q211 PolarHBondContact O-N 2.9Å; V208-Q211 VanDerWaalsContact O-N 3.13Å; Q211-G213 PolarHBondContact O-N 3.38Å; Q211-S244 PolarHBondContact NE2-O 3.2Å; Q211-S244 PolarHBondContact NE2-OG 3.21Å; Q211-L248 HydrophobicContact CB-CD1 3.96Å; Q211-K251 VanDerWaalsContact OE1-CD 3.3Å
212	E	95.1	Very high	96.6	Very high	109 Å²	109	21.6 Å²	21.6	51%	0.509	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-4.8	173.3	-71	173.2	163.3	0	0	113.3	V208 S209 V210 L248 Q252	V208-E212 HydrophobicContact CG1-CG 4.39Å; V208-E212 WeakPolarHBondContact O-CG 3.15Å; V208-E212 PolarHBondContact O-N 2.93Å; S209-E212 PolarHBondContact O-N 2.93Å; V210-E212 VanDerWaalsContact C-N 3.29Å; V210-E212 PolarHBondContact O-N 3.36Å; E212-L248 HydrophobicContact CG-CD1 4.12Å; E212-L248 HydrophobicContact CG-CD2 4.03Å; E212-Q252 PolarHBondContact OE1-NE2 3.46Å
213	G	93.9	Very high	96.8	Very high	10 Å²	10	21 Å²	21	10%	0.103	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.3	15.1	173.1	0	0	0	0	0	115	K196 L197 S209 V210 Q211	K196-G213 PolarHBondContact N-O 2.92Å; L197-G213 PolarHBondContact N-O 2.72Å; L197-G213 VanDerWaalsContact O-CA 3.26Å; L197-G213 WeakPolarHBondContact O-CA 3.37Å; S209-G213 PolarHBondContact O-N 3.38Å; V210-G213 PolarHBondContact O-N 3.31Å; Q211-G213 PolarHBondContact O-N 3.38Å
214	S	95.8	Very high	97	Very high	59 Å²	59	19 Å²	19	41%	0.413	11%	0.108	S	C	.	.	P	Polyproline II helix	trans	-69.3	156.3	166.2	-54.8	0	0	0	0	110.9	S209	S209-S214 WeakPolarHBondContact O-CB 3.48Å; S209-S214 PolarHBondContact O-N 3.09Å; S209-S214 PolarHBondContact O-OG 2.99Å
215	D	95.5	Very high	97.1	Very high	3 Å²	3	18.9 Å²	18.9	2%	0.016	11%	0.108	C	C	.	.	P	Polyproline II helix	trans	-70.2	147.2	170.9	-148.6	-7.9	0	0	0	110.4	R181 P193 R194 L197 G217 Y279	R181-D215 IonicContact CZ-OD2 3.82Å; R181-D215 IonicContact NH1-OD1 2.86Å; R181-D215 IonicContact NH1-OD2 3.6Å; R181-D215 PolarHBondContact NH1-OD2 3.24Å; R181-D215 VanDerWaalsContact NH1-OD2 3.17Å; R181-D215 IonicContact NH2-OD2 2.82Å; P193-D215 HydrophobicContact CB-CB 4.11Å; R194-D215 WeakPolarHBondContact CB-OD2 3.27Å; R194-D215 WeakPolarHBondContact CG-OD2 3.48Å; R194-D215 IonicContact CZ-OD1 3.6Å; R194-D215 IonicContact CZ-OD2 3.49Å; R194-D215 PolarHBondContact N-OD2 2.8Å; R194-D215 VanDerWaalsContact N-OD2 3.15Å; R194-D215 IonicContact NE-OD1 2.59Å; R194-D215 IonicContact NE-OD2 3.68Å; R194-D215 PolarHBondContact NE-OD2 2.51Å; R194-D215 IonicContact NH2-OD1 3.61Å; R194-D215 PolarHBondContact NH2-OD1 2.97Å; R194-D215 IonicContact NH2-OD2 2.76Å; R194-D215 PolarHBondContact NH2-OD2 2.77Å; L197-D215 HydrophobicContact CD1-CB 3.65Å; L197-D215 VanDerWaalsContact CD1-CG 3.4Å; L197-D215 VanDerWaalsContact CD1-OD1 3.23Å; L197-D215 WeakPolarHBondContact CD1-OD1 3.4Å; D215-G217 PolarHBondContact O-N 3.48Å; D215-Y279 HydrophobicContact CB-CD2 4.35Å; D215-Y279 HydrophobicContact CB-CE2 3.79Å; D215-Y279 WeakPolarHBondContact O-CD2 3.35Å
216	S	95.6	Very high	97.1	Very high	10 Å²	10	19 Å²	19	7%	0.07	11%	0.108	C	C	.	.	P	Polyproline II helix	trans	-79.2	118.6	-179.8	-47.4	0	0	0	0	109.7	R153 V210 D220 Y279	R153-S216 VanDerWaalsContact CD-CB 3.48Å; V210-S216 VanDerWaalsContact CG2-OG 3.28Å; V210-S216 WeakPolarHBondContact CG2-OG 3.19Å; S216-D220 VanDerWaalsContact CA-OD2 3.27Å; S216-D220 WeakPolarHBondContact CA-OD2 3.18Å; S216-Y279 WeakPolarHBondContact O-CE2 3.49Å
217	G	97	Very high	97.2	Very high	2 Å²	2	18.8 Å²	18.8	2%	0.021	11%	0.106	C	C	.	.			trans	-98.1	-174.1	168.5	0	0	0	0	0	111.7	D215 V219 D220	D215-G217 PolarHBondContact O-N 3.48Å; G217-V219 PolarHBondContact O-N 2.62Å; G217-D220 PolarHBondContact N-OD2 2.97Å; G217-D220 WeakPolarHBondContact O-CB 3.41Å; G217-D220 PolarHBondContact O-N 3.13Å
218	R	98.6	Very high	97.3	Very high	22 Å²	22	18.7 Å²	18.7	8%	0.083	11%	0.105	C	C	.	.	H	α-helix	trans	-65	-38.7	-177.9	-69.3	-179.6	-65	-122.7	-12.8	112.9	H146 V151 H183 D220 D221 Q280 D281 P283 Y285	H146-R218 HydrophobicContact CB-CG 4.19Å; H146-R218 VanDerWaalsContact CE1-CA 3.46Å; H146-R218 WeakPolarHBondContact CE1-CA 3.4Å; H146-R218 VanDerWaalsContact CE1-CB 3.47Å; H146-R218 WeakPolarHBondContact CE1-CB 3.28Å; H146-R218 PolarHBondContact CE1-O 3.01Å; H146-R218 WeakPolarHBondContact ND1-CB 3.33Å; V151-R218 HydrophobicContact CG1-CG 4.05Å; H183-R218 PolarHBondContact CE1-NH1 3.13Å; H183-R218 VanDerWaalsContact CE1-NH1 3.32Å; R218-D220 PolarHBondContact O-N 2.67Å; R218-D221 PolarHBondContact O-N 2.65Å; R218-Q280 PolarHBondContact NH2-O 3.32Å; R218-D281 PolarHBondContact NE-O 3.21Å; R218-D281 VanDerWaalsContact NE-O 3.14Å; R218-D281 PolarHBondContact NH2-O 3.4Å; R218-P283 HydrophobicContact CB-CG 4.1Å; R218-Y285 WeakPolarHBondContact CD-OH 3.47Å
219	V	98.7	Very high	97.4	Very high	6 Å²	6	17 Å²	17	4%	0.036	10%	0.095	C	C	.	.	H	α-helix	trans	-57.8	-29.9	177.2	65.6	0	0	0	0	112.3	G217 D221 L222 W223 L274 L277	G217-V219 PolarHBondContact O-N 2.62Å; V219-D221 PolarHBondContact O-N 3Å; V219-L222 PolarHBondContact O-N 3.25Å; V219-W223 PolarHBondContact O-N 3.45Å; V219-L274 HydrophobicContact CG2-CB 4.37Å; V219-L274 HydrophobicContact CG2-CD2 4.22Å; V219-L277 HydrophobicContact CB-CB 4.07Å; V219-L277 HydrophobicContact CB-CD1 4.4Å; V219-L277 HydrophobicContact CG2-CB 3.72Å; V219-L277 HydrophobicContact CG2-CD1 4.02Å; V219-L277 HydrophobicContact CG2-CG 4.49Å
220	D	98.7	Very high	97.4	Very high	7 Å²	7	15.1 Å²	15.1	4%	0.037	8%	0.081	C	C	.	.	H	α-helix	trans	-71.2	-31.8	-175.8	-60.9	-57.8	0	0	0	112.9	S207 S209 V210 S216 G217 R218 L222 W223 S224	S207-D220 WeakPolarHBondContact CB-OD1 3.36Å; S207-D220 VanDerWaalsContact OG-CG 3.31Å; S207-D220 PolarHBondContact OG-OD1 3.14Å; S209-D220 PolarHBondContact OG-OD1 3.49Å; V210-D220 HydrophobicContact CG2-CB 3.92Å; S216-D220 VanDerWaalsContact CA-OD2 3.27Å; S216-D220 WeakPolarHBondContact CA-OD2 3.18Å; G217-D220 PolarHBondContact N-OD2 2.97Å; G217-D220 WeakPolarHBondContact O-CB 3.41Å; G217-D220 PolarHBondContact O-N 3.13Å; R218-D220 PolarHBondContact O-N 2.67Å; D220-L222 VanDerWaalsContact C-N 3.3Å; D220-W223 PolarHBondContact O-N 2.91Å; D220-S224 PolarHBondContact O-N 2.73Å; D220-S224 PolarHBondContact O-OG 2.95Å
221	D	98.9	Very high	97.5	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.005	8%	0.078	C	C	.	.	H	α-helix	trans	-67.3	-34.5	173	-79	-27.4	0	0	0	111.5	I142 H146 V151 H152 R153 I155 R218 V219 S224 L225	I142-D221 HydrophobicContact CG2-CB 4.16Å; H146-D221 IonicContact NE2-OD2 3.12Å; H146-D221 PolarHBondContact NE2-OD2 3.14Å; H146-D221 VanDerWaalsContact NE2-OD2 3.11Å; V151-D221 WeakPolarHBondContact CA-OD2 3.43Å; V151-D221 WeakPolarHBondContact CB-OD2 3.47Å; H152-D221 PolarHBondContact N-OD2 2.86Å; R153-D221 WeakPolarHBondContact CA-OD1 3.11Å; R153-D221 PolarHBondContact N-OD1 3.05Å; I155-D221 HydrophobicContact CG1-CB 4.25Å; R218-D221 PolarHBondContact O-N 2.65Å; V219-D221 PolarHBondContact O-N 3Å; D221-S224 WeakPolarHBondContact O-CB 3.47Å; D221-S224 PolarHBondContact O-N 3.29Å; D221-L225 PolarHBondContact O-N 3.11Å
222	L	98.9	Very high	97.7	Very high	3 Å²	3	13.5 Å²	13.5	2%	0.016	7%	0.073	C	C	.	.	H	α-helix	trans	-72	-37	174.2	-64.2	172	0	0	0	111.7	V139 I142 V219 D220 S224 L225 I226 L274 P283 Y285 I288	V139-L222 HydrophobicContact CG2-CD2 4.28Å; I142-L222 HydrophobicContact CD1-CD2 4.25Å; I142-L222 HydrophobicContact CG2-CD2 4.09Å; I142-L222 HydrophobicContact CG2-CG 4.46Å; V219-L222 PolarHBondContact O-N 3.25Å; D220-L222 VanDerWaalsContact C-N 3.3Å; L222-S224 VanDerWaalsContact C-N 3.32Å; L222-S224 PolarHBondContact O-N 3.27Å; L222-L225 WeakPolarHBondContact O-CB 3.48Å; L222-L225 PolarHBondContact O-N 3.16Å; L222-I226 WeakPolarHBondContact O-CG1 3.47Å; L222-I226 PolarHBondContact O-N 2.89Å; L222-L274 HydrophobicContact CB-CD1 3.89Å; L222-L274 HydrophobicContact CB-CD2 3.74Å; L222-L274 HydrophobicContact CB-CG 4.49Å; L222-L274 HydrophobicContact CD1-CD2 3.7Å; L222-L274 HydrophobicContact CG-CD2 4.38Å; L222-P283 HydrophobicContact CD1-CB 3.31Å; L222-P283 HydrophobicContact CD1-CG 3.46Å; L222-P283 VanDerWaalsContact CD1-CG 3.46Å; L222-Y285 HydrophobicContact CD1-CE1 4.23Å; L222-I288 HydrophobicContact CD1-CD1 3.76Å
223	W	98.5	Very high	97.8	Very high	32 Å²	32	8.8 Å²	8.8	12%	0.121	5%	0.051	C	C	.	.	H	α-helix	trans	-61.3	-41	169.1	-85.5	113	0	0	0	112.2	V219 D220 L225 I226 Y227 I271 L274 R275	V219-W223 PolarHBondContact O-N 3.45Å; D220-W223 PolarHBondContact O-N 2.91Å; W223-L225 VanDerWaalsContact C-N 3.31Å; W223-L225 PolarHBondContact O-N 2.68Å; W223-I226 HydrophobicContact CE3-CB 4.38Å; W223-I226 HydrophobicContact CE3-CG2 4.26Å; W223-I226 HydrophobicContact CZ3-CG2 4.26Å; W223-I226 PolarHBondContact O-N 3.45Å; W223-Y227 HydrophobicContact CE3-CE2 4.35Å; W223-Y227 WeakPolarHBondContact O-CD2 3.5Å; W223-Y227 PolarHBondContact O-N 3.36Å; W223-I271 HydrophobicContact CH2-CG2 4.01Å; W223-I271 HydrophobicContact CZ3-CG2 4.47Å; W223-L274 HydrophobicContact CZ2-CB 3.95Å; W223-L274 PolarHBondContact NE1-O 3.49Å; W223-R275 HydrophobicContact CH2-CG 3.99Å; W223-R275 HydrophobicContact CZ2-CG 3.74Å
224	S	98.8	Very high	97.9	Very high	5 Å²	5	9.5 Å²	9.5	4%	0.035	5%	0.052	C	C	.	.	H	α-helix	trans	-62	-37.6	172.8	-69.9	0	0	0	0	112.9	I155 Y205 D220 D221 L222 T228	I155-S224 WeakPolarHBondContact O-CB 2.99Å; Y205-S224 WeakPolarHBondContact O-CA 3.39Å; Y205-S224 WeakPolarHBondContact O-CB 3.42Å; Y205-S224 PolarHBondContact O-OG 3.18Å; D220-S224 PolarHBondContact O-N 2.73Å; D220-S224 PolarHBondContact O-OG 2.95Å; D221-S224 WeakPolarHBondContact O-CB 3.47Å; D221-S224 PolarHBondContact O-N 3.29Å; L222-S224 VanDerWaalsContact C-N 3.32Å; L222-S224 PolarHBondContact O-N 3.27Å; S224-T228 WeakPolarHBondContact O-CB 3.43Å; S224-T228 PolarHBondContact O-N 3.41Å; S224-T228 PolarHBondContact O-OG1 3.22Å
225	L	98.9	Very high	97.9	Very high	4 Å²	4	7.1 Å²	7.1	2%	0.021	4%	0.037	C	C	.	.	H	α-helix	trans	-62.9	-47.4	170.3	179.8	59.3	0	0	0	111.5	C138 V139 I142 I155 D221 L222 W223 Y227 T228 L229	C138-L225 HydrophobicContact CB-CD1 3.54Å; C138-L225 HydrophobicContact CB-CD2 3.73Å; C138-L225 HydrophobicContact CB-CG 4.29Å; V139-L225 HydrophobicContact CG2-CD2 3.62Å; I142-L225 HydrophobicContact CD1-CB 4.23Å; I142-L225 HydrophobicContact CD1-CD2 4.14Å; I155-L225 HydrophobicContact CG2-CB 4.35Å; D221-L225 PolarHBondContact O-N 3.11Å; L222-L225 WeakPolarHBondContact O-CB 3.48Å; L222-L225 PolarHBondContact O-N 3.16Å; W223-L225 VanDerWaalsContact C-N 3.31Å; W223-L225 PolarHBondContact O-N 2.68Å; L225-Y227 PolarHBondContact O-N 2.72Å; L225-T228 CarbonylContact O-C 3.53Å; L225-T228 WeakPolarHBondContact O-CA 3.46Å; L225-T228 VanDerWaalsContact O-CB 3.27Å; L225-T228 WeakPolarHBondContact O-CB 3.44Å; L225-T228 PolarHBondContact O-N 2.78Å; L225-L229 HydrophobicContact CD1-CD1 4.33Å; L225-L229 HydrophobicContact CD1-CD2 4.03Å; L225-L229 HydrophobicContact CD1-CG 3.97Å; L225-L229 HydrophobicContact CG-CD1 4.16Å; L225-L229 HydrophobicContact CG-CG 4.21Å; L225-L229 WeakPolarHBondContact O-CG 3.41Å; L225-L229 PolarHBondContact O-N 3.29Å
226	I	98.5	Very high	97.9	Very high	3 Å²	3	13.8 Å²	13.8	2%	0.015	7%	0.066	C	C	.	.	H	α-helix	trans	-55.2	-48.5	177.7	-70.7	-56.8	0	0	0	111.3	L222 W223 T228 L229 S230 F260 I270 I271 L274	L222-I226 WeakPolarHBondContact O-CG1 3.47Å; L222-I226 PolarHBondContact O-N 2.89Å; W223-I226 HydrophobicContact CE3-CB 4.38Å; W223-I226 HydrophobicContact CE3-CG2 4.26Å; W223-I226 HydrophobicContact CZ3-CG2 4.26Å; W223-I226 PolarHBondContact O-N 3.45Å; I226-T228 VanDerWaalsContact C-N 3.31Å; I226-T228 PolarHBondContact O-N 3.13Å; I226-L229 PolarHBondContact O-N 3.18Å; I226-S230 WeakPolarHBondContact O-CB 3.24Å; I226-S230 PolarHBondContact O-N 3.49Å; I226-F260 HydrophobicContact CG2-CE2 3.66Å; I226-F260 HydrophobicContact CG2-CZ 3.52Å; I226-F260 WeakPolarHBondContact O-CZ 3.36Å; I226-I270 HydrophobicContact CD1-CG2 4.02Å; I226-I271 HydrophobicContact CD1-CG1 4.24Å; I226-I271 HydrophobicContact CG1-CG1 4.47Å; I226-I271 HydrophobicContact CG2-CD1 4.23Å; I226-I271 HydrophobicContact CG2-CG1 4.06Å; I226-L274 HydrophobicContact CD1-CD1 4.33Å; I226-L274 HydrophobicContact CG1-CD1 3.59Å
227	Y	98.5	Very high	97.9	Very high	4 Å²	4	13.3 Å²	13.3	2%	0.016	6%	0.063	C	C	.	.	H	α-helix	trans	-64.9	-36.2	176.8	-63	-51.5	0	0	0	112.6	Y205 W223 L225 S230 E231 L237 W239 K251 L259	Y205-Y227 WeakPolarHBondContact O-CD2 3.4Å; W223-Y227 HydrophobicContact CE3-CE2 4.35Å; W223-Y227 WeakPolarHBondContact O-CD2 3.5Å; W223-Y227 PolarHBondContact O-N 3.36Å; L225-Y227 PolarHBondContact O-N 2.72Å; Y227-S230 PolarHBondContact O-N 3.12Å; Y227-E231 PolarHBondContact O-N 3.13Å; Y227-E231 VanDerWaalsContact O-N 3.07Å; Y227-L237 WeakPolarHBondContact O-CD2 3.37Å; Y227-W239 AromaticContact CD1-CH2 3.63Å; Y227-W239 HydrophobicContact CD1-CH2 3.63Å; Y227-W239 AromaticContact CD1-CZ2 3.64Å; Y227-W239 HydrophobicContact CD1-CZ2 3.64Å; Y227-W239 AromaticContact CE1-CH2 3.76Å; Y227-W239 HydrophobicContact CE1-CH2 3.76Å; Y227-W239 HydrophobicContact CE1-CZ2 4.03Å; Y227-W239 HydrophobicContact CG-CZ2 4.18Å; Y227-K251 HydrophobicContact CE1-CD 4.44Å; Y227-K251 HydrophobicContact CE1-CG 4.26Å; Y227-K251 HydrophobicContact CE2-CD 4.12Å; Y227-L259 HydrophobicContact CD1-CD2 4.24Å; Y227-L259 HydrophobicContact CE1-CD2 4.37Å
228	T	98.7	Very high	97.8	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-59.4	-48.9	173.2	-66.1	0	0	0	0	111.4	I155 P157 L160 Y205 S224 L225 I226 S230 E231 F232	I155-T228 PolarHBondContact O-OG1 3.46Å; P157-T228 HydrophobicContact CG-CG2 4Å; L160-T228 HydrophobicContact CD1-CG2 4.05Å; Y205-T228 WeakPolarHBondContact CD1-OG1 3.19Å; S224-T228 WeakPolarHBondContact O-CB 3.43Å; S224-T228 PolarHBondContact O-N 3.41Å; S224-T228 PolarHBondContact O-OG1 3.22Å; L225-T228 CarbonylContact O-C 3.53Å; L225-T228 WeakPolarHBondContact O-CA 3.46Å; L225-T228 VanDerWaalsContact O-CB 3.27Å; L225-T228 WeakPolarHBondContact O-CB 3.44Å; L225-T228 PolarHBondContact O-N 2.78Å; I226-T228 VanDerWaalsContact C-N 3.31Å; I226-T228 PolarHBondContact O-N 3.13Å; T228-S230 PolarHBondContact O-N 2.8Å; T228-E231 WeakPolarHBondContact O-CB 3.36Å; T228-E231 PolarHBondContact O-N 3.25Å; T228-E231 VanDerWaalsContact O-N 3.14Å; T228-F232 HydrophobicContact CG2-CD2 4.43Å; T228-F232 HydrophobicContact CG2-CE1 4.01Å; T228-F232 HydrophobicContact CG2-CE2 3.63Å; T228-F232 HydrophobicContact CG2-CZ 3.4Å; T228-F232 WeakPolarHBondContact O-CD1 3.29Å; T228-F232 WeakPolarHBondContact O-CG 3.38Å; T228-F232 PolarHBondContact O-N 3.29Å; T228-F232 VanDerWaalsContact O-N 3.12Å
229	L	98.6	Very high	97.6	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-65.5	-38.9	178	-60.3	-179.2	0	0	0	112.1	I131 I134 L225 I226 E231 F232 Y233 F292	I131-L229 HydrophobicContact CG2-CB 4.25Å; I131-L229 HydrophobicContact CG2-CD2 3.93Å; I134-L229 HydrophobicContact CG2-CD2 4.47Å; L225-L229 HydrophobicContact CD1-CD1 4.33Å; L225-L229 HydrophobicContact CD1-CD2 4.03Å; L225-L229 HydrophobicContact CD1-CG 3.97Å; L225-L229 HydrophobicContact CG-CD1 4.16Å; L225-L229 HydrophobicContact CG-CG 4.21Å; L225-L229 WeakPolarHBondContact O-CG 3.41Å; L225-L229 PolarHBondContact O-N 3.29Å; I226-L229 PolarHBondContact O-N 3.18Å; L229-E231 PolarHBondContact O-N 2.91Å; L229-F232 HydrophobicContact CD2-CD2 3.84Å; L229-F232 HydrophobicContact CD2-CE2 4.14Å; L229-F232 WeakPolarHBondContact O-CA 3.35Å; L229-F232 WeakPolarHBondContact O-CB 3.37Å; L229-F232 PolarHBondContact O-N 2.71Å; L229-Y233 WeakPolarHBondContact O-CD2 3.46Å; L229-Y233 PolarHBondContact O-N 3.38Å; L229-F292 HydrophobicContact CD1-CE1 3.85Å; L229-F292 HydrophobicContact CD1-CZ 3.61Å
230	S	97.9	Very high	97.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-56.4	-41	172.5	149.1	0	0	0	0	111.4	I226 Y227 T228 F232 Y233 N234 L259	I226-S230 WeakPolarHBondContact O-CB 3.24Å; I226-S230 PolarHBondContact O-N 3.49Å; Y227-S230 PolarHBondContact O-N 3.12Å; T228-S230 PolarHBondContact O-N 2.8Å; S230-F232 VanDerWaalsContact C-N 3.31Å; S230-F232 PolarHBondContact O-N 2.93Å; S230-Y233 PolarHBondContact O-N 3.35Å; S230-N234 WeakPolarHBondContact O-CB 3.34Å; S230-N234 PolarHBondContact O-N 3.13Å; S230-N234 VanDerWaalsContact O-N 3.09Å; S230-N234 PolarHBondContact O-ND2 2.8Å; S230-L259 WeakPolarHBondContact OG-CD1 3.49Å; S230-L259 VanDerWaalsContact OG-CG 3.25Å; S230-L259 WeakPolarHBondContact OG-CG 3.5Å
231	E	97.8	Very high	96.9	Very high	3 Å²	3	20.5 Å²	20.5	1%	0.014	10%	0.101	C	C	.	.	H	α-helix	trans	-65.6	-37.6	175.8	-160.9	174.4	-171.1	0	0	112.1	R115 M118 P157 Y205 Y227 T228 L229 Y233 N234 G235 L237	R115-E231 IonicContact CZ-OE1 2.62Å; R115-E231 VanDerWaalsContact CZ-OE1 3.28Å; R115-E231 IonicContact CZ-OE2 2.67Å; R115-E231 IonicContact NH1-OE1 3.17Å; R115-E231 PolarHBondContact NH1-OE1 3.28Å; R115-E231 IonicContact NH1-OE2 3.21Å; R115-E231 PolarHBondContact NH1-OE2 3.02Å; R115-E231 IonicContact NH2-OE1 3.68Å; R115-E231 PolarHBondContact NH2-OE1 2.87Å; R115-E231 IonicContact NH2-OE2 3.97Å; R115-E231 PolarHBondContact NH2-OE2 3.2Å; M118-E231 HydrophobicContact CE-CG 4.11Å; M118-E231 WeakPolarHBondContact CE-O 3.29Å; P157-E231 WeakPolarHBondContact CG-OE2 3.17Å; Y205-E231 WeakPolarHBondContact CE1-OE2 3.38Å; Y205-E231 PolarHBondContact OH-OE2 3.38Å; Y227-E231 PolarHBondContact O-N 3.13Å; Y227-E231 VanDerWaalsContact O-N 3.07Å; T228-E231 WeakPolarHBondContact O-CB 3.36Å; T228-E231 PolarHBondContact O-N 3.25Å; T228-E231 VanDerWaalsContact O-N 3.14Å; L229-E231 PolarHBondContact O-N 2.91Å; E231-Y233 PolarHBondContact O-N 3.01Å; E231-N234 PolarHBondContact O-N 3.35Å; E231-G235 VanDerWaalsContact O-CA 3.24Å; E231-G235 WeakPolarHBondContact O-CA 3.21Å; E231-G235 PolarHBondContact O-N 3.32Å; E231-L237 HydrophobicContact CB-CD2 4.04Å; E231-L237 HydrophobicContact CB-CG 3.98Å; E231-L237 HydrophobicContact CG-CG 4.05Å
232	F	98.3	Very high	96.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-61.8	-41.6	176.4	-63.9	-14.6	0	0	0	112.6	L114 M118 R125 F126 I131 I134 P157 L160 T228 L229 S230	L114-F232 HydrophobicContact CB-CE1 4.28Å; L114-F232 HydrophobicContact CB-CZ 3.99Å; L114-F232 HydrophobicContact CD1-CE2 3.98Å; L114-F232 HydrophobicContact CD1-CZ 3.67Å; M118-F232 HydrophobicContact CE-CD1 3.94Å; M118-F232 HydrophobicContact CG-CD1 4.37Å; M118-F232 HydrophobicContact SD-CD1 3.44Å; M118-F232 WeakPolarHBondContact SD-CD1 3.4Å; M118-F232 HydrophobicContact SD-CE1 3.55Å; M118-F232 VanDerWaalsContact SD-CE1 3.55Å; R125-F232 WeakPolarHBondContact CA-O 3.42Å; F126-F232 HydrophobicContact CB-CB 4.43Å; F126-F232 HydrophobicContact CD2-CB 3.71Å; F126-F232 AromaticContact CD2-CD1 3.64Å; F126-F232 HydrophobicContact CD2-CD1 3.64Å; F126-F232 HydrophobicContact CD2-CD2 4.12Å; F126-F232 HydrophobicContact CD2-CE1 4.23Å; F126-F232 AromaticContact CD2-CG 3.56Å; F126-F232 HydrophobicContact CD2-CG 3.56Å; F126-F232 AromaticContact CE2-CD1 3.64Å; F126-F232 HydrophobicContact CE2-CD1 3.64Å; F126-F232 HydrophobicContact CE2-CD2 4.41Å; F126-F232 AromaticContact CE2-CE1 3.78Å; F126-F232 HydrophobicContact CE2-CE1 3.78Å; F126-F232 AromaticContact CE2-CG 3.98Å; F126-F232 HydrophobicContact CE2-CG 3.98Å; F126-F232 HydrophobicContact CE2-CZ 4.25Å; F126-F232 PolarHBondContact N-O 3.4Å; F126-F232 VanDerWaalsContact N-O 3.12Å; I131-F232 HydrophobicContact CD1-CB 3.79Å; I131-F232 HydrophobicContact CG1-CB 3.76Å; I131-F232 HydrophobicContact CG2-CB 4.44Å; I134-F232 HydrophobicContact CD1-CD2 4.32Å; I134-F232 HydrophobicContact CD1-CE2 4.18Å; I134-F232 HydrophobicContact CG2-CE2 3.98Å; P157-F232 HydrophobicContact CB-CE1 3.85Å; P157-F232 HydrophobicContact CB-CZ 4.32Å; P157-F232 HydrophobicContact CG-CE1 3.7Å; P157-F232 HydrophobicContact CG-CZ 4.25Å; L160-F232 HydrophobicContact CD1-CZ 4.49Å; T228-F232 HydrophobicContact CG2-CD2 4.43Å; T228-F232 HydrophobicContact CG2-CE1 4.01Å; T228-F232 HydrophobicContact CG2-CE2 3.63Å; T228-F232 HydrophobicContact CG2-CZ 3.4Å; T228-F232 WeakPolarHBondContact O-CD1 3.29Å; T228-F232 WeakPolarHBondContact O-CG 3.38Å; T228-F232 PolarHBondContact O-N 3.29Å; T228-F232 VanDerWaalsContact O-N 3.12Å; L229-F232 HydrophobicContact CD2-CD2 3.84Å; L229-F232 HydrophobicContact CD2-CE2 4.14Å; L229-F232 WeakPolarHBondContact O-CA 3.35Å; L229-F232 WeakPolarHBondContact O-CB 3.37Å; L229-F232 PolarHBondContact O-N 2.71Å; S230-F232 VanDerWaalsContact C-N 3.31Å; S230-F232 PolarHBondContact O-N 2.93Å
233	Y	97.2	Very high	96.4	Very high	10 Å²	10	22 Å²	22	4%	0.039	11%	0.109	C	C	.	.	H	α-helix	trans	-66.6	-38.9	175.2	-76.4	-66.8	0	0	0	112.8	R125 N128 I131 L229 S230 E231 F260 A263 P264	R125-Y233 VanDerWaalsContact CD-O 3.24Å; R125-Y233 WeakPolarHBondContact CD-O 3.38Å; R125-Y233 WeakPolarHBondContact CG-O 3.23Å; N128-Y233 VanDerWaalsContact OD1-CE1 3.3Å; N128-Y233 WeakPolarHBondContact OD1-CE1 3.49Å; I131-Y233 HydrophobicContact CB-CE1 4.29Å; I131-Y233 HydrophobicContact CB-CE2 4.46Å; I131-Y233 HydrophobicContact CD1-CD1 3.39Å; I131-Y233 HydrophobicContact CD1-CD2 4.13Å; I131-Y233 HydrophobicContact CD1-CE1 3.53Å; I131-Y233 HydrophobicContact CD1-CE2 4.27Å; I131-Y233 HydrophobicContact CD1-CG 3.68Å; I131-Y233 HydrophobicContact CG1-CE1 4.5Å; I131-Y233 HydrophobicContact CG2-CD2 4.17Å; I131-Y233 HydrophobicContact CG2-CE1 4.2Å; I131-Y233 HydrophobicContact CG2-CE2 3.52Å; L229-Y233 WeakPolarHBondContact O-CD2 3.46Å; L229-Y233 PolarHBondContact O-N 3.38Å; S230-Y233 PolarHBondContact O-N 3.35Å; E231-Y233 PolarHBondContact O-N 3.01Å; Y233-F260 HydrophobicContact CD2-CD1 4.12Å; Y233-F260 HydrophobicContact CD2-CE1 4.18Å; Y233-F260 HydrophobicContact CE2-CD1 4.32Å; Y233-F260 HydrophobicContact CE2-CE1 4.38Å; Y233-A263 HydrophobicContact CD1-CB 4.23Å; Y233-A263 HydrophobicContact CD2-CB 3.91Å; Y233-A263 HydrophobicContact CE1-CB 3.93Å; Y233-A263 HydrophobicContact CE2-CB 3.56Å; Y233-A263 HydrophobicContact CG-CB 4.25Å; Y233-P264 VanDerWaalsContact OH-CD 3.27Å; Y233-P264 WeakPolarHBondContact OH-CD 3.41Å
234	N	96.1	Very high	96.1	Very high	26 Å²	26	22.7 Å²	22.7	14%	0.139	12%	0.118	C	C	.	.	H	α-helix	trans	-100.1	-17.5	-168	-67.1	-57.2	0	0	0	114	R125 S230 E231 K236 L259	R125-N234 VanDerWaalsContact CZ-O 3.32Å; R125-N234 VanDerWaalsContact NE-C 3.26Å; R125-N234 PolarHBondContact NE-O 3.06Å; R125-N234 PolarHBondContact NH2-O 2.87Å; S230-N234 WeakPolarHBondContact O-CB 3.34Å; S230-N234 PolarHBondContact O-N 3.13Å; S230-N234 VanDerWaalsContact O-N 3.09Å; S230-N234 PolarHBondContact O-ND2 2.8Å; E231-N234 PolarHBondContact O-N 3.35Å; N234-K236 WeakPolarHBondContact CB-O 3.37Å; N234-K236 PolarHBondContact O-N 3.04Å; N234-L259 PolarHBondContact ND2-O 2.93Å
235	G	96.3	Very high	95.8	Very high	9 Å²	9	25.5 Å²	25.5	9%	0.093	14%	0.142	C	C	.	.	S	Bend	trans	78.6	-8.4	-175.3	0	0	0	0	0	114.7	R124 E231	R124-G235 WeakPolarHBondContact O-CA 3.23Å; E231-G235 VanDerWaalsContact O-CA 3.24Å; E231-G235 WeakPolarHBondContact O-CA 3.21Å; E231-G235 PolarHBondContact O-N 3.32Å
236	K	95.6	Very high	95.5	Very high	142 Å²	142	27.5 Å²	27.5	62%	0.617	15%	0.152	S	C	*	.	S	Bend	trans	-161.1	153.6	172.9	62.4	178.4	-177.3	175.2	0	109.7	N234	N234-K236 WeakPolarHBondContact CB-O 3.37Å; N234-K236 PolarHBondContact O-N 3.04Å
237	L	95.7	Very high	95.4	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	15%	0.151	C	C	.	.			trans	-76	140.5	166.4	-69.8	171.8	0	0	0	110	N204 Y205 Y227 E231 W239 R240	N204-L237 HydrophobicContact CB-CD1 3.95Å; Y205-L237 HydrophobicContact CD1-CD1 4.23Å; Y205-L237 HydrophobicContact CE1-CD1 3.7Å; Y227-L237 WeakPolarHBondContact O-CD2 3.37Å; E231-L237 HydrophobicContact CB-CD2 4.04Å; E231-L237 HydrophobicContact CB-CG 3.98Å; E231-L237 HydrophobicContact CG-CG 4.05Å; L237-W239 HydrophobicContact CB-CD2 4.43Å; L237-W239 HydrophobicContact CD1-CZ2 4.3Å; L237-W239 HydrophobicContact CD2-CH2 4.35Å; L237-W239 HydrophobicContact CD2-CZ2 3.8Å; L237-W239 HydrophobicContact CG-CZ2 4.43Å; L237-W239 PolarHBondContact O-N 3.49Å; L237-R240 HydrophobicContact CB-CB 4.5Å; L237-R240 VanDerWaalsContact O-CB 3.31Å; L237-R240 WeakPolarHBondContact O-CB 3.23Å; L237-R240 PolarHBondContact O-N 2.91Å; L237-R240 VanDerWaalsContact O-N 3.11Å
238	P	94.3	Very high	95.3	Very high	52 Å²	52	28.6 Å²	28.6	34%	0.338	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-32.7	178.9	-26.3	35.6	0	0	0	113.6	W250 M254 L259	P238-W250 HydrophobicContact CB-CZ3 4.28Å; P238-M254 HydrophobicContact CB-CE 3.41Å; P238-M254 VanDerWaalsContact CB-CE 3.41Å; P238-M254 HydrophobicContact CB-SD 4.35Å; P238-M254 HydrophobicContact CG-CE 3.63Å; P238-M254 HydrophobicContact CG-SD 3.93Å; P238-L259 HydrophobicContact CG-CD1 3.88Å
239	W	95.3	Very high	95.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	10.6	-179.4	54.5	77.2	0	0	0	114	N204 Y227 L237 G241 H242 V247 W250 K251 M254 L259	N204-W239 PolarHBondContact O-NE1 2.97Å; N204-W239 VanDerWaalsContact O-NE1 3.09Å; Y227-W239 AromaticContact CD1-CH2 3.63Å; Y227-W239 HydrophobicContact CD1-CH2 3.63Å; Y227-W239 AromaticContact CD1-CZ2 3.64Å; Y227-W239 HydrophobicContact CD1-CZ2 3.64Å; Y227-W239 AromaticContact CE1-CH2 3.76Å; Y227-W239 HydrophobicContact CE1-CH2 3.76Å; Y227-W239 HydrophobicContact CE1-CZ2 4.03Å; Y227-W239 HydrophobicContact CG-CZ2 4.18Å; L237-W239 HydrophobicContact CB-CD2 4.43Å; L237-W239 HydrophobicContact CD1-CZ2 4.3Å; L237-W239 HydrophobicContact CD2-CH2 4.35Å; L237-W239 HydrophobicContact CD2-CZ2 3.8Å; L237-W239 HydrophobicContact CG-CZ2 4.43Å; L237-W239 PolarHBondContact O-N 3.49Å; W239-G241 PolarHBondContact O-N 3.01Å; W239-H242 WeakPolarHBondContact O-CB 3.39Å; W239-H242 PolarHBondContact O-CD2 3.34Å; W239-H242 PolarHBondContact O-N 3.11Å; W239-H242 VanDerWaalsContact O-N 3.13Å; W239-V247 HydrophobicContact CB-CG2 4.07Å; W239-V247 VanDerWaalsContact CD1-CG1 3.48Å; W239-V247 HydrophobicContact CG-CB 4.44Å; W239-V247 HydrophobicContact CG-CG1 3.96Å; W239-V247 HydrophobicContact CG-CG2 4.15Å; W239-W250 HydrophobicContact CB-CB 3.86Å; W239-W250 HydrophobicContact CB-CD2 4.33Å; W239-W250 HydrophobicContact CB-CG 3.77Å; W239-W250 HydrophobicContact CD2-CB 4.38Å; W239-W250 HydrophobicContact CE3-CB 3.93Å; W239-W250 HydrophobicContact CG-CB 4.41Å; W239-K251 HydrophobicContact CD2-CG 4.45Å; W239-K251 HydrophobicContact CE3-CG 4.43Å; W239-K251 HydrophobicContact CH2-CG 3.94Å; W239-K251 HydrophobicContact CZ2-CD 4.41Å; W239-K251 HydrophobicContact CZ2-CG 3.97Å; W239-K251 HydrophobicContact CZ3-CG 4.18Å; W239-M254 HydrophobicContact CE3-CE 4.35Å; W239-M254 HydrophobicContact CE3-SD 4.41Å; W239-M254 HydrophobicContact CZ3-CE 4.38Å; W239-M254 HydrophobicContact CZ3-SD 3.86Å; W239-L259 HydrophobicContact CH2-CD1 4.22Å; W239-L259 HydrophobicContact CH2-CD2 3.95Å; W239-L259 HydrophobicContact CZ3-CD1 4.17Å; W239-L259 HydrophobicContact CZ3-CD2 4.41Å
240	R	92.2	Very high	94.9	Very high	115 Å²	115	38 Å²	38	43%	0.434	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	130	177.3	-171.8	66.9	177.4	175.7	-3.3	110.2	N204 L237	N204-R240 PolarHBondContact ND2-NH1 3.31Å; L237-R240 HydrophobicContact CB-CB 4.5Å; L237-R240 VanDerWaalsContact O-CB 3.31Å; L237-R240 WeakPolarHBondContact O-CB 3.23Å; L237-R240 PolarHBondContact O-N 2.91Å; L237-R240 VanDerWaalsContact O-N 3.11Å
241	G	90.9	Very high	94.8	Very high	20 Å²	20	38.4 Å²	38.4	21%	0.206	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.8	5.4	-176.8	0	0	0	0	0	114.3	C6 I7 W239	C6-G241 WeakPolarHBondContact CA-O 3.22Å; I7-G241 WeakPolarHBondContact CG1-O 3.26Å; I7-G241 PolarHBondContact N-O 3.31Å; W239-G241 PolarHBondContact O-N 3.01Å
242	H	93.5	Very high	94.7	Very high	23 Å²	23	42.2 Å²	42.2	11%	0.106	22%	0.217	C	C	.	.			trans	-98.5	149.4	171.6	-69.2	-93.1	0	0	0	111.4	L13 Y203 W239 H246 V247 W250	L13-H242 WeakPolarHBondContact CD2-O 3.39Å; Y203-H242 WeakPolarHBondContact CE2-O 3.41Å; Y203-H242 PolarHBondContact OH-O 3.38Å; W239-H242 WeakPolarHBondContact O-CB 3.39Å; W239-H242 PolarHBondContact O-CD2 3.34Å; W239-H242 PolarHBondContact O-N 3.11Å; W239-H242 VanDerWaalsContact O-N 3.13Å; H242-H246 HydrophobicContact CB-CB 3.83Å; H242-V247 HydrophobicContact CB-CG2 3.99Å; H242-V247 WeakPolarHBondContact O-CG2 3.33Å; H242-W250 AromaticContact CE1-NE1 3.89Å; H242-W250 AromaticContact ND1-NE1 3.97Å; H242-W250 AromaticContact NE2-NE1 3.93Å
243	C	92.2	Very high	94.4	Very high	13 Å²	13	50.3 Å²	50.3	9%	0.088	25%	0.252	C	S	.	.			trans	-70.2	163.3	174.1	64.8	0	0	0	0	111	C6 S11 L13 A245 H246 V247	C6-C243 HydrophobicContact CB-CB 3.87Å; C6-C243 PolarHBondContact SG-N 3.28Å; C6-C243 VanDerWaalsContact SG-SG 3.65Å; S11-C243 WeakPolarHBondContact OG-CB 3.25Å; L13-C243 HydrophobicContact CD2-CB 4.07Å; L13-C243 VanDerWaalsContact CD2-N 3.35Å; C243-A245 PolarHBondContact O-N 3.44Å; C243-A245 VanDerWaalsContact O-N 3.11Å; C243-H246 PolarHBondContact O-N 3.42Å; C243-H246 PolarHBondContact SG-ND1 3.23Å; C243-V247 WeakPolarHBondContact O-CG2 3.18Å; C243-V247 PolarHBondContact O-N 3.44Å
244	S	92	Very high	94.1	Very high	46 Å²	46	51 Å²	51	32%	0.322	26%	0.256	S	S	.	.	H	α-helix	trans	-49.6	-42.5	-176	-175.1	0	0	0	0	113.7	Q211 H246 V247 L248	Q211-S244 PolarHBondContact NE2-O 3.2Å; Q211-S244 PolarHBondContact NE2-OG 3.21Å; S244-H246 PolarHBondContact O-N 3.04Å; S244-V247 PolarHBondContact O-N 3.2Å; S244-L248 WeakPolarHBondContact O-CB 3.21Å; S244-L248 PolarHBondContact O-N 2.81Å
245	A	92.8	Very high	93.8	Very high	65 Å²	65	52.7 Å²	52.7	54%	0.537	27%	0.27	S	S	.	.	H	α-helix	trans	-62.8	-43.8	179.6	0	0	0	0	0	112.7	C243 L248 Q249	C243-A245 PolarHBondContact O-N 3.44Å; C243-A245 VanDerWaalsContact O-N 3.11Å; A245-L248 PolarHBondContact O-N 3.27Å; A245-Q249 PolarHBondContact O-N 2.87Å
246	H	94.2	Very high	93.5	Very high	46 Å²	46	53.1 Å²	53.1	21%	0.213	27%	0.27	C	S	.	.	H	α-helix	trans	-70.6	-39.7	175.8	-74.2	128	0	0	0	111.8	C6 A8 C9 H242 C243 S244 L248 Q249 W250	C6-H246 PolarHBondContact SG-ND1 3.17Å; C6-H246 VanDerWaalsContact SG-ND1 3.42Å; A8-H246 VanDerWaalsContact CB-CE1 3.43Å; A8-H246 WeakPolarHBondContact CB-CE1 3.28Å; C9-H246 VanDerWaalsContact SG-CE1 3.54Å; H242-H246 HydrophobicContact CB-CB 3.83Å; C243-H246 PolarHBondContact O-N 3.42Å; C243-H246 PolarHBondContact SG-ND1 3.23Å; S244-H246 PolarHBondContact O-N 3.04Å; H246-L248 VanDerWaalsContact C-N 3.25Å; H246-L248 PolarHBondContact O-N 3.14Å; H246-Q249 PolarHBondContact CD2-OE1 3.21Å; H246-Q249 WeakPolarHBondContact O-CB 3.36Å; H246-Q249 PolarHBondContact O-N 3.37Å; H246-W250 PolarHBondContact O-N 2.89Å
247	V	95.8	Very high	93.2	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-57.6	-41.8	174.7	171.2	0	0	0	0	111	Y203 W239 H242 C243 S244 W250 K251	Y203-V247 HydrophobicContact CD2-CB 4.08Å; Y203-V247 HydrophobicContact CD2-CG1 4.25Å; Y203-V247 HydrophobicContact CD2-CG2 3.84Å; Y203-V247 HydrophobicContact CE2-CB 4.41Å; Y203-V247 HydrophobicContact CE2-CG2 3.7Å; W239-V247 HydrophobicContact CB-CG2 4.07Å; W239-V247 VanDerWaalsContact CD1-CG1 3.48Å; W239-V247 HydrophobicContact CG-CB 4.44Å; W239-V247 HydrophobicContact CG-CG1 3.96Å; W239-V247 HydrophobicContact CG-CG2 4.15Å; H242-V247 HydrophobicContact CB-CG2 3.99Å; H242-V247 WeakPolarHBondContact O-CG2 3.33Å; C243-V247 WeakPolarHBondContact O-CG2 3.18Å; C243-V247 PolarHBondContact O-N 3.44Å; S244-V247 PolarHBondContact O-N 3.2Å; V247-W250 WeakPolarHBondContact O-CB 3.28Å; V247-W250 PolarHBondContact O-N 2.81Å; V247-K251 HydrophobicContact CG1-CD 4.06Å; V247-K251 WeakPolarHBondContact O-CG 3.33Å; V247-K251 PolarHBondContact O-N 3.23Å
248	L	95.7	Very high	92.9	Very high	30 Å²	30	62.5 Å²	62.5	16%	0.157	31%	0.308	C	S	.	.	H	α-helix	trans	-60.1	-48.4	176.1	179.4	59.4	0	0	0	111.4	V208 Q211 E212 S244 A245 H246 W250 K251 Q252	V208-L248 HydrophobicContact CB-CD1 4.4Å; V208-L248 HydrophobicContact CG1-CD1 3.88Å; V208-L248 HydrophobicContact CG2-CD1 4.5Å; Q211-L248 HydrophobicContact CB-CD1 3.96Å; E212-L248 HydrophobicContact CG-CD1 4.12Å; E212-L248 HydrophobicContact CG-CD2 4.03Å; S244-L248 WeakPolarHBondContact O-CB 3.21Å; S244-L248 PolarHBondContact O-N 2.81Å; A245-L248 PolarHBondContact O-N 3.27Å; H246-L248 VanDerWaalsContact C-N 3.25Å; H246-L248 PolarHBondContact O-N 3.14Å; L248-W250 VanDerWaalsContact C-N 3.34Å; L248-W250 PolarHBondContact O-N 3.4Å; L248-K251 PolarHBondContact O-N 2.82Å; L248-K251 VanDerWaalsContact O-N 3.13Å; L248-Q252 HydrophobicContact CD1-CG 4.17Å; L248-Q252 HydrophobicContact CG-CG 4.47Å; L248-Q252 WeakPolarHBondContact O-CG 3.28Å; L248-Q252 PolarHBondContact O-N 2.82Å
249	Q	95.6	Very high	92.8	Very high	99 Å²	99	60.2 Å²	60.2	46%	0.463	29%	0.293	S	S	.	.	H	α-helix	trans	-58.1	-45.7	175.5	-69.9	175.9	-20.4	0	0	111.8	A245 H246 K251 Q252 F253	A245-Q249 PolarHBondContact O-N 2.87Å; H246-Q249 PolarHBondContact CD2-OE1 3.21Å; H246-Q249 WeakPolarHBondContact O-CB 3.36Å; H246-Q249 PolarHBondContact O-N 3.37Å; Q249-K251 VanDerWaalsContact C-N 3.3Å; Q249-K251 PolarHBondContact O-N 2.81Å; Q249-Q252 PolarHBondContact O-N 3.49Å; Q249-F253 HydrophobicContact CB-CD2 4.35Å; Q249-F253 WeakPolarHBondContact O-CD2 3.26Å; Q249-F253 PolarHBondContact O-N 3.15Å
250	W	94.5	Very high	92.8	Very high	97 Å²	97	61 Å²	61	37%	0.367	30%	0.297	S	S	.	.	H	α-helix	trans	-56.1	-45.7	175.4	-85.6	101.6	0	0	0	111.6	P238 W239 H242 H246 V247 L248 M254	P238-W250 HydrophobicContact CB-CZ3 4.28Å; W239-W250 HydrophobicContact CB-CB 3.86Å; W239-W250 HydrophobicContact CB-CD2 4.33Å; W239-W250 HydrophobicContact CB-CG 3.77Å; W239-W250 HydrophobicContact CD2-CB 4.38Å; W239-W250 HydrophobicContact CE3-CB 3.93Å; W239-W250 HydrophobicContact CG-CB 4.41Å; H242-W250 AromaticContact CE1-NE1 3.89Å; H242-W250 AromaticContact ND1-NE1 3.97Å; H242-W250 AromaticContact NE2-NE1 3.93Å; H246-W250 PolarHBondContact O-N 2.89Å; V247-W250 WeakPolarHBondContact O-CB 3.28Å; V247-W250 PolarHBondContact O-N 2.81Å; L248-W250 VanDerWaalsContact C-N 3.34Å; L248-W250 PolarHBondContact O-N 3.4Å; W250-M254 HydrophobicContact CD2-CE 4.4Å; W250-M254 HydrophobicContact CE3-CE 3.18Å; W250-M254 HydrophobicContact CZ3-CE 3.27Å; W250-M254 WeakPolarHBondContact O-CA 3.43Å; W250-M254 WeakPolarHBondContact O-CB 3.39Å; W250-M254 PolarHBondContact O-N 3.48Å
251	K	95.6	Very high	92.8	Very high	9 Å²	9	61.8 Å²	61.8	4%	0.039	31%	0.305	C	S	.	.	H	α-helix	trans	-68.7	-36	-179.6	-71.8	172.7	178.9	177	0	113.4	Y203 N204 A206 V208 Q211 Y227 W239 V247 L248 Q249	Y203-K251 PolarHBondContact O-NZ 3.28Å; N204-K251 VanDerWaalsContact O-CE 3.31Å; N204-K251 WeakPolarHBondContact O-CE 3.32Å; N204-K251 PolarHBondContact O-NZ 3.11Å; N204-K251 VanDerWaalsContact O-NZ 3.11Å; A206-K251 PolarHBondContact O-NZ 3.17Å; V208-K251 HydrophobicContact CG2-CB 3.76Å; Q211-K251 VanDerWaalsContact OE1-CD 3.3Å; Y227-K251 HydrophobicContact CE1-CD 4.44Å; Y227-K251 HydrophobicContact CE1-CG 4.26Å; Y227-K251 HydrophobicContact CE2-CD 4.12Å; W239-K251 HydrophobicContact CD2-CG 4.45Å; W239-K251 HydrophobicContact CE3-CG 4.43Å; W239-K251 HydrophobicContact CH2-CG 3.94Å; W239-K251 HydrophobicContact CZ2-CD 4.41Å; W239-K251 HydrophobicContact CZ2-CG 3.97Å; W239-K251 HydrophobicContact CZ3-CG 4.18Å; V247-K251 HydrophobicContact CG1-CD 4.06Å; V247-K251 WeakPolarHBondContact O-CG 3.33Å; V247-K251 PolarHBondContact O-N 3.23Å; L248-K251 PolarHBondContact O-N 2.82Å; L248-K251 VanDerWaalsContact O-N 3.13Å; Q249-K251 VanDerWaalsContact C-N 3.3Å; Q249-K251 PolarHBondContact O-N 2.81Å
252	Q	94.5	Very high	92.6	Very high	84 Å²	84	64.7 Å²	64.7	39%	0.393	32%	0.316	S	S	.	.	H	α-helix	trans	-69.7	-38.9	178.2	-73.5	171	-30.2	0	0	112.4	V208 E212 L248 Q249	V208-Q252 HydrophobicContact CG1-CG 4Å; E212-Q252 PolarHBondContact OE1-NE2 3.46Å; L248-Q252 HydrophobicContact CD1-CG 4.17Å; L248-Q252 HydrophobicContact CG-CG 4.47Å; L248-Q252 WeakPolarHBondContact O-CG 3.28Å; L248-Q252 PolarHBondContact O-N 2.82Å; Q249-Q252 PolarHBondContact O-N 3.49Å
253	F	92.2	Very high	92.7	Very high	170 Å²	170	64.4 Å²	64.4	75%	0.746	32%	0.318	S	S	*	.	H	α-helix	trans	-104.1	-14.9	-172.8	-61.6	-66.7	0	0	0	114.7	Q249	Q249-F253 HydrophobicContact CB-CD2 4.35Å; Q249-F253 WeakPolarHBondContact O-CD2 3.26Å; Q249-F253 PolarHBondContact O-N 3.15Å
254	M	90.7	Very high	93	Very high	24 Å²	24	64.1 Å²	64.1	12%	0.118	32%	0.316	C	S	.	.	S	Bend	trans	-74.8	129.7	177.9	-179.4	174.6	-69.7	0	0	111.3	P238 W239 W250 M256 L259	P238-M254 HydrophobicContact CB-CE 3.41Å; P238-M254 VanDerWaalsContact CB-CE 3.41Å; P238-M254 HydrophobicContact CB-SD 4.35Å; P238-M254 HydrophobicContact CG-CE 3.63Å; P238-M254 HydrophobicContact CG-SD 3.93Å; W239-M254 HydrophobicContact CE3-CE 4.35Å; W239-M254 HydrophobicContact CE3-SD 4.41Å; W239-M254 HydrophobicContact CZ3-CE 4.38Å; W239-M254 HydrophobicContact CZ3-SD 3.86Å; W250-M254 HydrophobicContact CD2-CE 4.4Å; W250-M254 HydrophobicContact CE3-CE 3.18Å; W250-M254 HydrophobicContact CZ3-CE 3.27Å; W250-M254 WeakPolarHBondContact O-CA 3.43Å; W250-M254 WeakPolarHBondContact O-CB 3.39Å; W250-M254 PolarHBondContact O-N 3.48Å; M254-M256 VanDerWaalsContact O-CE 3.28Å; M254-M256 WeakPolarHBondContact O-CE 3.46Å; M254-M256 PolarHBondContact O-N 3.12Å; M254-L259 HydrophobicContact SD-CB 4.21Å; M254-L259 HydrophobicContact SD-CD1 3.81Å; M254-L259 HydrophobicContact SD-CG 4.5Å
255	S	90.3	Very high	93.1	Very high	61 Å²	61	68.8 Å²	68.8	43%	0.427	33%	0.327	S	S	.	.			trans	-62.6	125.6	169.3	171.4	0	0	0	0	111.5	Q257 R258 L259	S255-Q257 PolarHBondContact O-N 3.19Å; S255-Q257 WeakPolarHBondContact OG-CB 3.44Å; S255-Q257 PolarHBondContact OG-N 2.89Å; S255-R258 WeakPolarHBondContact O-CB 3.45Å; S255-R258 PolarHBondContact O-N 3.39Å; S255-R258 PolarHBondContact OG-N 3.23Å; S255-L259 PolarHBondContact O-N 3.45Å; S255-L259 VanDerWaalsContact O-N 3.1Å
256	M	89.8	Confident	93.4	Very high	18 Å²	18	65.8 Å²	65.8	9%	0.089	30%	0.302	C	S	.	.	H	α-helix	trans	-61.8	-30.9	172.7	-66.8	-59.7	100.8	0	0	112	M254 R258 L259 F260 I271	M254-M256 VanDerWaalsContact O-CE 3.28Å; M254-M256 WeakPolarHBondContact O-CE 3.46Å; M254-M256 PolarHBondContact O-N 3.12Å; M256-R258 VanDerWaalsContact C-N 3.27Å; M256-R258 PolarHBondContact O-N 2.68Å; M256-L259 HydrophobicContact CE-CD2 3.98Å; M256-L259 PolarHBondContact O-N 3.49Å; M256-L259 HydrophobicContact SD-CD2 3.97Å; M256-F260 PolarHBondContact O-N 3.43Å; M256-I271 HydrophobicContact CB-CD1 4.37Å; M256-I271 HydrophobicContact CB-CG2 4.31Å; M256-I271 HydrophobicContact CG-CG2 4.04Å
257	Q	89.8	Confident	93.5	Very high	164 Å²	164	63.6 Å²	63.6	77%	0.766	29%	0.292	S	S	*	.	H	α-helix	trans	-61	-38	173.1	-173.4	-174.8	1.2	0	0	111.4	S255 F260 Q261	S255-Q257 PolarHBondContact O-N 3.19Å; S255-Q257 WeakPolarHBondContact OG-CB 3.44Å; S255-Q257 PolarHBondContact OG-N 2.89Å; Q257-F260 CarbonylContact O-C 3.56Å; Q257-Q261 VanDerWaalsContact O-CA 3.3Å; Q257-Q261 WeakPolarHBondContact O-CA 3.28Å; Q257-Q261 WeakPolarHBondContact O-CB 3.5Å; Q257-Q261 PolarHBondContact O-N 3.4Å
258	R	90	Very high	93.6	Very high	177 Å²	177	65.5 Å²	65.5	67%	0.668	31%	0.312	S	S	*	.	H	α-helix	trans	-70.8	-39.7	175.5	-173.3	178.2	-177.9	178.4	1.6	111.6	S255 M256 F260	S255-R258 WeakPolarHBondContact O-CB 3.45Å; S255-R258 PolarHBondContact O-N 3.39Å; S255-R258 PolarHBondContact OG-N 3.23Å; M256-R258 VanDerWaalsContact C-N 3.27Å; M256-R258 PolarHBondContact O-N 2.68Å; R258-F260 VanDerWaalsContact C-N 3.28Å; R258-F260 PolarHBondContact O-N 2.94Å
259	L	92.3	Very high	93.7	Very high	3 Å²	3	69.3 Å²	69.3	2%	0.016	33%	0.327	C	S	.	.	H	α-helix	trans	-63.3	-36.9	179.1	-168.7	62.6	0	0	0	111.7	Y227 S230 N234 P238 W239 M254 S255 M256	Y227-L259 HydrophobicContact CD1-CD2 4.24Å; Y227-L259 HydrophobicContact CE1-CD2 4.37Å; S230-L259 WeakPolarHBondContact OG-CD1 3.49Å; S230-L259 VanDerWaalsContact OG-CG 3.25Å; S230-L259 WeakPolarHBondContact OG-CG 3.5Å; N234-L259 PolarHBondContact ND2-O 2.93Å; P238-L259 HydrophobicContact CG-CD1 3.88Å; W239-L259 HydrophobicContact CH2-CD1 4.22Å; W239-L259 HydrophobicContact CH2-CD2 3.95Å; W239-L259 HydrophobicContact CZ3-CD1 4.17Å; W239-L259 HydrophobicContact CZ3-CD2 4.41Å; M254-L259 HydrophobicContact SD-CB 4.21Å; M254-L259 HydrophobicContact SD-CD1 3.81Å; M254-L259 HydrophobicContact SD-CG 4.5Å; S255-L259 PolarHBondContact O-N 3.45Å; S255-L259 VanDerWaalsContact O-N 3.1Å; M256-L259 HydrophobicContact CE-CD2 3.98Å; M256-L259 PolarHBondContact O-N 3.49Å; M256-L259 HydrophobicContact SD-CD2 3.97Å
260	F	94.8	Very high	93.8	Very high	17 Å²	17	64.8 Å²	64.8	8%	0.075	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	24.5	-176.9	-71.2	-79	0	0	0	114	I226 Y233 M256 Q257 R258 N262 A263 I267 I271	I226-F260 HydrophobicContact CG2-CE2 3.66Å; I226-F260 HydrophobicContact CG2-CZ 3.52Å; I226-F260 WeakPolarHBondContact O-CZ 3.36Å; Y233-F260 HydrophobicContact CD2-CD1 4.12Å; Y233-F260 HydrophobicContact CD2-CE1 4.18Å; Y233-F260 HydrophobicContact CE2-CD1 4.32Å; Y233-F260 HydrophobicContact CE2-CE1 4.38Å; M256-F260 PolarHBondContact O-N 3.43Å; Q257-F260 CarbonylContact O-C 3.56Å; R258-F260 VanDerWaalsContact C-N 3.28Å; R258-F260 PolarHBondContact O-N 2.94Å; F260-N262 PolarHBondContact O-N 2.76Å; F260-A263 HydrophobicContact CB-CB 3.97Å; F260-A263 HydrophobicContact CD1-CB 3.79Å; F260-A263 HydrophobicContact CG-CB 4.39Å; F260-A263 WeakPolarHBondContact O-CB 3.41Å; F260-A263 PolarHBondContact O-N 2.99Å; F260-I267 HydrophobicContact CD1-CG2 3.62Å; F260-I267 HydrophobicContact CD2-CG2 4.46Å; F260-I267 HydrophobicContact CE1-CG2 3.73Å; F260-I267 HydrophobicContact CG-CG2 4Å; F260-I267 HydrophobicContact CZ-CG2 4.2Å; F260-I271 HydrophobicContact CD2-CD1 3.43Å; F260-I271 VanDerWaalsContact CD2-CD1 3.43Å; F260-I271 HydrophobicContact CE2-CD1 3.44Å; F260-I271 VanDerWaalsContact CE2-CD1 3.44Å; F260-I271 HydrophobicContact CG-CD1 4.22Å; F260-I271 HydrophobicContact CZ-CD1 4.22Å
261	Q	91	Very high	94	Very high	132 Å²	132	60.4 Å²	60.4	62%	0.617	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-24.4	-177.4	66.9	-178.9	-5.9	0	0	114.5	Q257	Q257-Q261 VanDerWaalsContact O-CA 3.3Å; Q257-Q261 WeakPolarHBondContact O-CA 3.28Å; Q257-Q261 WeakPolarHBondContact O-CB 3.5Å; Q257-Q261 PolarHBondContact O-N 3.4Å
262	N	88.4	Confident	94.1	Very high	80 Å²	80	62.1 Å²	62.1	43%	0.428	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	1.4	179.5	-59.9	-51.4	0	0	0	112.9	F260	F260-N262 PolarHBondContact O-N 2.76Å
263	A	95.3	Very high	94.2	Very high	18 Å²	18	60 Å²	60	15%	0.149	30%	0.296	C	S	.	.	S	Bend	trans	-92.4	156.4	-177.9	0	0	0	0	0	111	Y233 F260 I267	Y233-A263 HydrophobicContact CD1-CB 4.23Å; Y233-A263 HydrophobicContact CD2-CB 3.91Å; Y233-A263 HydrophobicContact CE1-CB 3.93Å; Y233-A263 HydrophobicContact CE2-CB 3.56Å; Y233-A263 HydrophobicContact CG-CB 4.25Å; F260-A263 HydrophobicContact CB-CB 3.97Å; F260-A263 HydrophobicContact CD1-CB 3.79Å; F260-A263 HydrophobicContact CG-CB 4.39Å; F260-A263 WeakPolarHBondContact O-CB 3.41Å; F260-A263 PolarHBondContact O-N 2.99Å; A263-I267 HydrophobicContact CB-CB 4.44Å; A263-I267 HydrophobicContact CB-CG1 4.07Å
264	P	96.8	Very high	94.5	Very high	7 Å²	7	52 Å²	52	5%	0.045	26%	0.261	C	S	.	.			trans	-48.3	138.7	163.9	-32.1	42.3	0	0	0	112	L132 Y233 E266 I267 A295 R298	L132-P264 HydrophobicContact CD1-CG 4.17Å; L132-P264 HydrophobicContact CD2-CG 4.1Å; Y233-P264 VanDerWaalsContact OH-CD 3.27Å; Y233-P264 WeakPolarHBondContact OH-CD 3.41Å; P264-E266 VanDerWaalsContact CB-OE2 3.22Å; P264-E266 WeakPolarHBondContact CB-OE2 3.16Å; P264-E266 PolarHBondContact O-N 2.83Å; P264-E266 VanDerWaalsContact O-N 3.15Å; P264-I267 WeakPolarHBondContact O-CB 3.42Å; P264-I267 WeakPolarHBondContact O-CG1 3.29Å; P264-I267 PolarHBondContact O-N 3.3Å; P264-I267 VanDerWaalsContact O-N 3.12Å; P264-A295 HydrophobicContact CB-CB 3.79Å; P264-A295 HydrophobicContact CG-CB 4.31Å; P264-R298 VanDerWaalsContact CB-NH2 3.27Å
265	Y	95.7	Very high	94.8	Very high	143 Å²	143	58.1 Å²	58.1	56%	0.561	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-18.9	-175.7	63.7	-104.6	0	0	0	112.8	I267 G268 F269 R298	Y265-I267 PolarHBondContact O-N 3.32Å; Y265-G268 WeakPolarHBondContact O-CA 3.15Å; Y265-G268 PolarHBondContact O-N 2.93Å; Y265-F269 HydrophobicContact CD2-CD2 4.47Å; Y265-F269 AromaticContact CD2-CE2 3.7Å; Y265-F269 HydrophobicContact CD2-CE2 3.7Å; Y265-F269 HydrophobicContact CD2-CZ 4.4Å; Y265-F269 AromaticContact CE2-CE2 3.84Å; Y265-F269 HydrophobicContact CE2-CE2 3.84Å; Y265-R298 VanDerWaalsContact CE1-CD 3.46Å; Y265-R298 WeakPolarHBondContact OH-CD 3.19Å
266	E	97.8	Very high	95.1	Very high	2 Å²	2	61.6 Å²	61.6	1%	0.009	30%	0.296	C	S	.	.	H	α-helix	trans	-59.7	-29.5	174.4	-64.3	79.8	179.3	0	0	112.6	P264 G268 F269 I270 T294 A295 R298	P264-E266 VanDerWaalsContact CB-OE2 3.22Å; P264-E266 WeakPolarHBondContact CB-OE2 3.16Å; P264-E266 PolarHBondContact O-N 2.83Å; P264-E266 VanDerWaalsContact O-N 3.15Å; E266-G268 PolarHBondContact O-N 2.66Å; E266-F269 WeakPolarHBondContact O-CB 3.44Å; E266-F269 PolarHBondContact O-N 3.04Å; E266-I270 PolarHBondContact O-N 3.31Å; E266-I270 VanDerWaalsContact O-N 3.15Å; E266-T294 HydrophobicContact CG-CG2 4.23Å; E266-A295 HydrophobicContact CB-CB 4.02Å; E266-A295 HydrophobicContact CG-CB 4Å; E266-R298 IonicContact OE1-CZ 3.49Å; E266-R298 IonicContact OE1-NE 2.77Å; E266-R298 PolarHBondContact OE1-NE 3.07Å; E266-R298 IonicContact OE1-NH2 3.11Å; E266-R298 IonicContact OE2-CZ 3.51Å; E266-R298 IonicContact OE2-NE 3.46Å; E266-R298 PolarHBondContact OE2-NE 3.38Å; E266-R298 IonicContact OE2-NH2 3.52Å; E266-R298 PolarHBondContact OE2-NH2 2.65Å
267	I	97.8	Very high	95.5	Very high	1 Å²	1	62.2 Å²	62.2	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-59.5	-32	172.6	-56	-57.4	0	0	0	110.7	L132 F260 A263 P264 Y265 I270 I271 F292	L132-I267 HydrophobicContact CD2-CD1 4.27Å; F260-I267 HydrophobicContact CD1-CG2 3.62Å; F260-I267 HydrophobicContact CD2-CG2 4.46Å; F260-I267 HydrophobicContact CE1-CG2 3.73Å; F260-I267 HydrophobicContact CG-CG2 4Å; F260-I267 HydrophobicContact CZ-CG2 4.2Å; A263-I267 HydrophobicContact CB-CB 4.44Å; A263-I267 HydrophobicContact CB-CG1 4.07Å; P264-I267 WeakPolarHBondContact O-CB 3.42Å; P264-I267 WeakPolarHBondContact O-CG1 3.29Å; P264-I267 PolarHBondContact O-N 3.3Å; P264-I267 VanDerWaalsContact O-N 3.12Å; Y265-I267 PolarHBondContact O-N 3.32Å; I267-I270 HydrophobicContact CD1-CD1 4.23Å; I267-I270 PolarHBondContact O-N 2.82Å; I267-I271 HydrophobicContact CG2-CD1 3.95Å; I267-I271 HydrophobicContact CG2-CG1 4.45Å; I267-I271 VanDerWaalsContact O-CG1 3.25Å; I267-I271 WeakPolarHBondContact O-CG1 3.49Å; I267-I271 PolarHBondContact O-N 2.71Å; I267-F292 HydrophobicContact CD1-CD1 4.1Å; I267-F292 HydrophobicContact CD1-CE1 3.51Å; I267-F292 HydrophobicContact CD1-CZ 4.24Å
268	G	96.9	Very high	95.9	Very high	40 Å²	40	60.1 Å²	60.1	41%	0.412	29%	0.29	S	S	.	.	H	α-helix	trans	-63	-37.8	173.7	0	0	0	0	0	113.3	Y265 E266 I271 A272	Y265-G268 WeakPolarHBondContact O-CA 3.15Å; Y265-G268 PolarHBondContact O-N 2.93Å; E266-G268 PolarHBondContact O-N 2.66Å; G268-I271 PolarHBondContact O-N 3.15Å; G268-A272 PolarHBondContact O-N 3.45Å
269	F	97.8	Very high	96.2	Very high	110 Å²	110	53.2 Å²	53.2	48%	0.482	26%	0.264	S	S	.	.	H	α-helix	trans	-69.6	-41.3	175.7	-61.2	-56.8	0	0	0	111.5	Y265 E266 I271 A272 H273 W287 M291	Y265-F269 HydrophobicContact CD2-CD2 4.47Å; Y265-F269 AromaticContact CD2-CE2 3.7Å; Y265-F269 HydrophobicContact CD2-CE2 3.7Å; Y265-F269 HydrophobicContact CD2-CZ 4.4Å; Y265-F269 AromaticContact CE2-CE2 3.84Å; Y265-F269 HydrophobicContact CE2-CE2 3.84Å; E266-F269 WeakPolarHBondContact O-CB 3.44Å; E266-F269 PolarHBondContact O-N 3.04Å; F269-I271 VanDerWaalsContact C-N 3.31Å; F269-I271 PolarHBondContact O-N 2.91Å; F269-A272 WeakPolarHBondContact O-CB 3.49Å; F269-A272 PolarHBondContact O-N 2.78Å; F269-H273 PolarHBondContact O-N 3.39Å; F269-W287 HydrophobicContact CB-CH2 3.91Å; F269-W287 HydrophobicContact CB-CZ2 4.34Å; F269-M291 HydrophobicContact CB-SD 4.28Å; F269-M291 HydrophobicContact CD2-SD 4.38Å
270	I	98.5	Very high	96.5	Very high	3 Å²	3	57.5 Å²	57.5	2%	0.015	28%	0.284	C	S	.	.	H	α-helix	trans	-58.6	-46.6	174	-61	170	0	0	0	110.1	I226 E266 I267 A272 H273 L274 W287 I288 M291 F292	I226-I270 HydrophobicContact CD1-CG2 4.02Å; E266-I270 PolarHBondContact O-N 3.31Å; E266-I270 VanDerWaalsContact O-N 3.15Å; I267-I270 HydrophobicContact CD1-CD1 4.23Å; I267-I270 PolarHBondContact O-N 2.82Å; I270-A272 VanDerWaalsContact C-N 3.31Å; I270-A272 PolarHBondContact O-N 2.71Å; I270-H273 WeakPolarHBondContact O-CB 3.13Å; I270-H273 PolarHBondContact O-N 2.59Å; I270-L274 HydrophobicContact CG2-CD1 4.3Å; I270-L274 HydrophobicContact CG2-CG 4.4Å; I270-L274 WeakPolarHBondContact O-CG 3.32Å; I270-L274 PolarHBondContact O-N 3.21Å; I270-W287 HydrophobicContact CG1-CZ3 4.48Å; I270-I288 HydrophobicContact CD1-CG2 4.12Å; I270-I288 HydrophobicContact CG1-CG2 4.31Å; I270-I288 HydrophobicContact CG2-CG1 4.39Å; I270-I288 HydrophobicContact CG2-CG2 3.95Å; I270-M291 HydrophobicContact CD1-CB 3.8Å; I270-M291 HydrophobicContact CG1-CB 3.65Å; I270-M291 HydrophobicContact CG1-CG 4.09Å; I270-F292 HydrophobicContact CD1-CD1 4.45Å; I270-F292 HydrophobicContact CD1-CD2 3.99Å; I270-F292 HydrophobicContact CD1-CE1 4.18Å; I270-F292 HydrophobicContact CD1-CE2 3.69Å; I270-F292 HydrophobicContact CD1-CG 4.36Å; I270-F292 HydrophobicContact CD1-CZ 3.78Å
271	I	97.8	Very high	96.6	Very high	6 Å²	6	59.1 Å²	59.1	3%	0.031	29%	0.293	C	S	.	.	H	α-helix	trans	-62	-39	177.6	-70.5	166.7	0	0	0	111.8	W223 I226 M256 F260 I267 G268 F269 L274 R275	W223-I271 HydrophobicContact CH2-CG2 4.01Å; W223-I271 HydrophobicContact CZ3-CG2 4.47Å; I226-I271 HydrophobicContact CD1-CG1 4.24Å; I226-I271 HydrophobicContact CG1-CG1 4.47Å; I226-I271 HydrophobicContact CG2-CD1 4.23Å; I226-I271 HydrophobicContact CG2-CG1 4.06Å; M256-I271 HydrophobicContact CB-CD1 4.37Å; M256-I271 HydrophobicContact CB-CG2 4.31Å; M256-I271 HydrophobicContact CG-CG2 4.04Å; F260-I271 HydrophobicContact CD2-CD1 3.43Å; F260-I271 VanDerWaalsContact CD2-CD1 3.43Å; F260-I271 HydrophobicContact CE2-CD1 3.44Å; F260-I271 VanDerWaalsContact CE2-CD1 3.44Å; F260-I271 HydrophobicContact CG-CD1 4.22Å; F260-I271 HydrophobicContact CZ-CD1 4.22Å; I267-I271 HydrophobicContact CG2-CD1 3.95Å; I267-I271 HydrophobicContact CG2-CG1 4.45Å; I267-I271 VanDerWaalsContact O-CG1 3.25Å; I267-I271 WeakPolarHBondContact O-CG1 3.49Å; I267-I271 PolarHBondContact O-N 2.71Å; G268-I271 PolarHBondContact O-N 3.15Å; F269-I271 VanDerWaalsContact C-N 3.31Å; F269-I271 PolarHBondContact O-N 2.91Å; I271-L274 PolarHBondContact O-N 2.86Å; I271-R275 VanDerWaalsContact O-CG 3.31Å; I271-R275 WeakPolarHBondContact O-CG 3.5Å; I271-R275 PolarHBondContact O-N 2.91Å
272	A	97	Very high	97	Very high	45 Å²	45	59.3 Å²	59.3	37%	0.372	29%	0.294	S	S	.	.	H	α-helix	trans	-61.9	-48.8	175.9	0	0	0	0	0	110.9	G268 F269 I270 L274 R275	G268-A272 PolarHBondContact O-N 3.45Å; F269-A272 WeakPolarHBondContact O-CB 3.49Å; F269-A272 PolarHBondContact O-N 2.78Å; I270-A272 VanDerWaalsContact C-N 3.31Å; I270-A272 PolarHBondContact O-N 2.71Å; A272-L274 PolarHBondContact O-N 3.3Å; A272-R275 WeakPolarHBondContact O-CB 3.36Å; A272-R275 PolarHBondContact O-N 2.89Å; A272-R275 VanDerWaalsContact O-N 3.11Å
273	H	98.1	Very high	97.5	Very high	40 Å²	40	55.6 Å²	55.6	19%	0.185	28%	0.275	C	S	.	.	H	α-helix	trans	-55.3	-47.5	174.8	174	65	0	0	0	112.4	F269 I270 R275 D276 N284 W287	F269-H273 PolarHBondContact O-N 3.39Å; I270-H273 WeakPolarHBondContact O-CB 3.13Å; I270-H273 PolarHBondContact O-N 2.59Å; H273-R275 PolarHBondContact O-N 3.2Å; H273-D276 PolarHBondContact O-N 3.38Å; H273-D276 VanDerWaalsContact O-N 3.14Å; H273-N284 PolarHBondContact NE2-N 3.39Å; H273-W287 HydrophobicContact CB-CE3 4.32Å; H273-W287 HydrophobicContact CB-CH2 3.98Å; H273-W287 HydrophobicContact CB-CZ3 3.51Å; H273-W287 AromaticContact CG-CZ3 3.82Å
274	L	98.4	Very high	97.6	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-66.6	-18.5	-180	-63.1	-177.1	0	0	0	114.6	V219 L222 W223 I226 I270 I271 A272 L277 I288	V219-L274 HydrophobicContact CG2-CB 4.37Å; V219-L274 HydrophobicContact CG2-CD2 4.22Å; L222-L274 HydrophobicContact CB-CD1 3.89Å; L222-L274 HydrophobicContact CB-CD2 3.74Å; L222-L274 HydrophobicContact CB-CG 4.49Å; L222-L274 HydrophobicContact CD1-CD2 3.7Å; L222-L274 HydrophobicContact CG-CD2 4.38Å; W223-L274 HydrophobicContact CZ2-CB 3.95Å; W223-L274 PolarHBondContact NE1-O 3.49Å; I226-L274 HydrophobicContact CD1-CD1 4.33Å; I226-L274 HydrophobicContact CG1-CD1 3.59Å; I270-L274 HydrophobicContact CG2-CD1 4.3Å; I270-L274 HydrophobicContact CG2-CG 4.4Å; I270-L274 WeakPolarHBondContact O-CG 3.32Å; I270-L274 PolarHBondContact O-N 3.21Å; I271-L274 PolarHBondContact O-N 2.86Å; A272-L274 PolarHBondContact O-N 3.3Å; L274-L277 HydrophobicContact CD2-CD1 4.12Å; L274-I288 HydrophobicContact CD2-CD1 4.22Å
275	R	96.7	Very high	97.7	Very high	152 Å²	152	59.3 Å²	59.3	57%	0.574	29%	0.29	S	S	*	.	H	α-helix	trans	-78.5	-24.7	175.7	-75.6	169.1	170.1	179.6	-6.7	112.8	W223 I271 A272 H273 L277	W223-R275 HydrophobicContact CH2-CG 3.99Å; W223-R275 HydrophobicContact CZ2-CG 3.74Å; I271-R275 VanDerWaalsContact O-CG 3.31Å; I271-R275 WeakPolarHBondContact O-CG 3.5Å; I271-R275 PolarHBondContact O-N 2.91Å; A272-R275 WeakPolarHBondContact O-CB 3.36Å; A272-R275 PolarHBondContact O-N 2.89Å; A272-R275 VanDerWaalsContact O-N 3.11Å; H273-R275 PolarHBondContact O-N 3.2Å; R275-L277 VanDerWaalsContact C-N 3.31Å
276	D	97.4	Very high	97.9	Very high	135 Å²	135	58.8 Å²	58.8	72%	0.722	30%	0.297	S	S	*	.	S	Bend	trans	-87.9	-3.5	-178.3	-63.8	-24.4	0	0	0	112.4	H273	H273-D276 PolarHBondContact O-N 3.38Å; H273-D276 VanDerWaalsContact O-N 3.14Å
277	L	98.4	Very high	97.9	Very high	31 Å²	31	63.2 Å²	63.2	16%	0.162	31%	0.314	C	S	.	.			trans	-97.5	138.9	-179.2	-60.9	176.9	0	0	0	112.2	V219 L274 R275 D281 P283	V219-L277 HydrophobicContact CB-CB 4.07Å; V219-L277 HydrophobicContact CB-CD1 4.4Å; V219-L277 HydrophobicContact CG2-CB 3.72Å; V219-L277 HydrophobicContact CG2-CD1 4.02Å; V219-L277 HydrophobicContact CG2-CG 4.49Å; L274-L277 HydrophobicContact CD2-CD1 4.12Å; R275-L277 VanDerWaalsContact C-N 3.31Å; L277-D281 HydrophobicContact CB-CB 4.28Å; L277-D281 HydrophobicContact CD2-CB 3.81Å; L277-P283 HydrophobicContact CD1-CB 3.9Å; L277-P283 HydrophobicContact CD1-CG 4.01Å
278	E	97	Very high	98	Very high	119 Å²	119	63.2 Å²	63.2	56%	0.556	31%	0.314	S	S	*	.			trans	-105.1	-177.6	173.7	-61.1	-171.3	169.7	0	0	112.1	Q280 D281	E278-Q280 VanDerWaalsContact C-N 3.31Å; E278-Q280 PolarHBondContact O-N 3.02Å; E278-Q280 PolarHBondContact OE2-NE2 2.81Å; E278-D281 PolarHBondContact N-OD2 3.48Å; E278-D281 PolarHBondContact O-N 2.79Å
279	Y	97.4	Very high	98	Very high	33 Å²	33	62.8 Å²	62.8	13%	0.129	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-42.3	-177.2	171.6	-97	0	0	0	113.4	I190 R191 P193 D215 S216	I190-Y279 HydrophobicContact CG2-CE1 3.96Å; R191-Y279 WeakPolarHBondContact O-CE1 3.5Å; R191-Y279 PolarHBondContact O-OH 3.38Å; P193-Y279 HydrophobicContact CB-CD1 3.8Å; P193-Y279 HydrophobicContact CB-CD2 4.34Å; P193-Y279 HydrophobicContact CB-CE1 3.74Å; P193-Y279 HydrophobicContact CB-CE2 4.3Å; P193-Y279 HydrophobicContact CB-CG 4.1Å; P193-Y279 HydrophobicContact CG-CD1 4.02Å; P193-Y279 HydrophobicContact CG-CE1 4.16Å; D215-Y279 HydrophobicContact CB-CD2 4.35Å; D215-Y279 HydrophobicContact CB-CE2 3.79Å; D215-Y279 WeakPolarHBondContact O-CD2 3.35Å; S216-Y279 WeakPolarHBondContact O-CE2 3.49Å
280	Q	96.9	Very high	98.1	Very high	92 Å²	92	58.8 Å²	58.8	43%	0.43	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-14.8	-176.9	65.1	-82.3	-1.1	0	0	114.1	R218 E278	R218-Q280 PolarHBondContact NH2-O 3.32Å; E278-Q280 VanDerWaalsContact C-N 3.31Å; E278-Q280 PolarHBondContact O-N 3.02Å; E278-Q280 PolarHBondContact OE2-NE2 2.81Å
281	D	98.3	Very high	98.1	Very high	51 Å²	51	60.2 Å²	60.2	27%	0.273	30%	0.299	S	S	.	.			trans	-77.2	150.5	-168.5	-63.4	-28.7	0	0	0	111.9	R218 L277 E278 P283	R218-D281 PolarHBondContact NE-O 3.21Å; R218-D281 VanDerWaalsContact NE-O 3.14Å; R218-D281 PolarHBondContact NH2-O 3.4Å; L277-D281 HydrophobicContact CB-CB 4.28Å; L277-D281 HydrophobicContact CD2-CB 3.81Å; E278-D281 PolarHBondContact N-OD2 3.48Å; E278-D281 PolarHBondContact O-N 2.79Å; D281-P283 WeakPolarHBondContact O-CD 3.19Å
282	E	98.2	Very high	98.2	Very high	136 Å²	136	60 Å²	60	64%	0.636	30%	0.298	S	S	*	.			trans	-95.8	115.8	171.9	-174.1	165.9	-165.1	0	0	109.2	Y285	E282-Y285 HydrophobicContact CG-CE2 4.1Å
283	P	98.6	Very high	98.2	Very high	3 Å²	3	60.3 Å²	60.3	2%	0.019	29%	0.291	C	S	.	.			trans	-59.7	138.7	172.8	-20.5	29.3	0	0	0	111.8	R218 L222 L277 D281 Y285 I288	R218-P283 HydrophobicContact CB-CG 4.1Å; L222-P283 HydrophobicContact CD1-CB 3.31Å; L222-P283 HydrophobicContact CD1-CG 3.46Å; L222-P283 VanDerWaalsContact CD1-CG 3.46Å; L277-P283 HydrophobicContact CD1-CB 3.9Å; L277-P283 HydrophobicContact CD1-CG 4.01Å; D281-P283 WeakPolarHBondContact O-CD 3.19Å; P283-Y285 VanDerWaalsContact C-N 3.34Å; P283-Y285 HydrophobicContact CB-CD1 4.33Å; P283-Y285 HydrophobicContact CB-CE1 3.92Å; P283-Y285 WeakPolarHBondContact CD-OH 3.5Å; P283-Y285 HydrophobicContact CG-CE1 4.1Å; P283-Y285 WeakPolarHBondContact O-CD2 3.26Å; P283-Y285 WeakPolarHBondContact O-CE2 3.49Å; P283-Y285 PolarHBondContact O-N 3.23Å; P283-I288 HydrophobicContact CB-CD1 4.4Å
284	N	98.5	Very high	98.3	Very high	81 Å²	81	61.1 Å²	61.1	43%	0.433	30%	0.299	S	S	.	.			trans	-74.5	83.5	169.5	-170.2	-23	0	0	0	111	H273 D286 W287 I288	H273-N284 PolarHBondContact NE2-N 3.39Å; N284-D286 PolarHBondContact O-N 3.29Å; N284-W287 HydrophobicContact CB-CB 4.01Å; N284-W287 PolarHBondContact O-N 3.06Å; N284-W287 VanDerWaalsContact OD1-CB 3.23Å; N284-W287 WeakPolarHBondContact OD1-CB 3.42Å; N284-W287 PolarHBondContact OD1-N 3.46Å; N284-I288 WeakPolarHBondContact O-CG1 3.3Å; N284-I288 PolarHBondContact O-N 2.8Å; N284-I288 VanDerWaalsContact O-N 3.09Å
285	Y	98.9	Very high	98.3	Very high	22 Å²	22	61.1 Å²	61.1	9%	0.086	30%	0.299	C	S	.	.	H	α-helix	trans	-60.4	-43.2	-176.4	-52.1	-79.7	0	0	0	112.7	V139 I142 A143 H146 R218 L222 E282 P283 W287 I288 I289	V139-Y285 HydrophobicContact CG1-CD1 4.2Å; I142-Y285 HydrophobicContact CG2-CE1 4.4Å; A143-Y285 HydrophobicContact CB-CD1 3.66Å; A143-Y285 HydrophobicContact CB-CD2 3.86Å; A143-Y285 HydrophobicContact CB-CE1 4.14Å; A143-Y285 HydrophobicContact CB-CE2 4.32Å; A143-Y285 HydrophobicContact CB-CG 3.52Å; H146-Y285 AromaticContact ND1-CE1 3.61Å; H146-Y285 AromaticContact ND1-CZ 3.52Å; H146-Y285 PolarHBondContact ND1-OH 3Å; R218-Y285 WeakPolarHBondContact CD-OH 3.47Å; L222-Y285 HydrophobicContact CD1-CE1 4.23Å; E282-Y285 HydrophobicContact CG-CE2 4.1Å; P283-Y285 VanDerWaalsContact C-N 3.34Å; P283-Y285 HydrophobicContact CB-CD1 4.33Å; P283-Y285 HydrophobicContact CB-CE1 3.92Å; P283-Y285 WeakPolarHBondContact CD-OH 3.5Å; P283-Y285 HydrophobicContact CG-CE1 4.1Å; P283-Y285 WeakPolarHBondContact O-CD2 3.26Å; P283-Y285 WeakPolarHBondContact O-CE2 3.49Å; P283-Y285 PolarHBondContact O-N 3.23Å; Y285-W287 VanDerWaalsContact C-N 3.3Å; Y285-W287 PolarHBondContact O-N 3.38Å; Y285-I288 WeakPolarHBondContact O-CB 3.38Å; Y285-I288 PolarHBondContact O-N 2.76Å; Y285-I288 VanDerWaalsContact O-N 3.11Å; Y285-I289 WeakPolarHBondContact O-CG1 3.28Å; Y285-I289 PolarHBondContact O-N 3.47Å
286	D	98.8	Very high	98.4	Very high	132 Å²	132	53.9 Å²	53.9	71%	0.706	27%	0.272	S	S	*	.	H	α-helix	trans	-60.8	-41.5	179.7	-67.2	-25.2	0	0	0	111.3	N284 I289 G290	N284-D286 PolarHBondContact O-N 3.29Å; D286-I289 PolarHBondContact O-N 2.98Å; D286-G290 PolarHBondContact O-N 3.41Å
287	W	98.8	Very high	98.4	Very high	94 Å²	94	54.1 Å²	54.1	36%	0.356	27%	0.269	S	S	.	.	H	α-helix	trans	-66.1	-40.1	175.2	-178.4	88.9	0	0	0	112.1	F269 I270 H273 N284 Y285 G290 M291	F269-W287 HydrophobicContact CB-CH2 3.91Å; F269-W287 HydrophobicContact CB-CZ2 4.34Å; I270-W287 HydrophobicContact CG1-CZ3 4.48Å; H273-W287 HydrophobicContact CB-CE3 4.32Å; H273-W287 HydrophobicContact CB-CH2 3.98Å; H273-W287 HydrophobicContact CB-CZ3 3.51Å; H273-W287 AromaticContact CG-CZ3 3.82Å; N284-W287 HydrophobicContact CB-CB 4.01Å; N284-W287 PolarHBondContact O-N 3.06Å; N284-W287 VanDerWaalsContact OD1-CB 3.23Å; N284-W287 WeakPolarHBondContact OD1-CB 3.42Å; N284-W287 PolarHBondContact OD1-N 3.46Å; Y285-W287 VanDerWaalsContact C-N 3.3Å; Y285-W287 PolarHBondContact O-N 3.38Å; W287-G290 PolarHBondContact O-N 3.46Å; W287-M291 HydrophobicContact CD2-CG 4.06Å; W287-M291 HydrophobicContact CE3-CG 4.07Å; W287-M291 HydrophobicContact CH2-CG 3.74Å; W287-M291 HydrophobicContact CH2-SD 4.27Å; W287-M291 HydrophobicContact CZ2-CE 4.39Å; W287-M291 HydrophobicContact CZ2-CG 3.71Å; W287-M291 HydrophobicContact CZ2-SD 3.82Å; W287-M291 HydrophobicContact CZ3-CG 3.91Å; W287-M291 WeakPolarHBondContact O-CG 3.37Å; W287-M291 PolarHBondContact O-N 3.5Å
288	I	98.9	Very high	98.4	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-62.6	-45.9	176.2	-64.8	168.1	0	0	0	110.4	V139 L222 I270 L274 P283 N284 Y285 G290 M291 F292	V139-I288 HydrophobicContact CG1-CB 4.27Å; V139-I288 HydrophobicContact CG1-CG2 4.12Å; V139-I288 HydrophobicContact CG2-CG2 3.73Å; L222-I288 HydrophobicContact CD1-CD1 3.76Å; I270-I288 HydrophobicContact CD1-CG2 4.12Å; I270-I288 HydrophobicContact CG1-CG2 4.31Å; I270-I288 HydrophobicContact CG2-CG1 4.39Å; I270-I288 HydrophobicContact CG2-CG2 3.95Å; L274-I288 HydrophobicContact CD2-CD1 4.22Å; P283-I288 HydrophobicContact CB-CD1 4.4Å; N284-I288 WeakPolarHBondContact O-CG1 3.3Å; N284-I288 PolarHBondContact O-N 2.8Å; N284-I288 VanDerWaalsContact O-N 3.09Å; Y285-I288 WeakPolarHBondContact O-CB 3.38Å; Y285-I288 PolarHBondContact O-N 2.76Å; Y285-I288 VanDerWaalsContact O-N 3.11Å; I288-G290 VanDerWaalsContact C-N 3.32Å; I288-G290 PolarHBondContact O-N 2.8Å; I288-M291 WeakPolarHBondContact O-CB 3.13Å; I288-M291 PolarHBondContact O-N 3.01Å; I288-F292 HydrophobicContact CG2-CD2 4.14Å; I288-F292 HydrophobicContact CG2-CE2 3.76Å; I288-F292 VanDerWaalsContact O-CD2 3.24Å; I288-F292 WeakPolarHBondContact O-CD2 3.32Å; I288-F292 PolarHBondContact O-N 2.8Å
289	I	98.9	Very high	98.3	Very high	31 Å²	31	53.8 Å²	53.8	16%	0.159	27%	0.266	C	S	.	.	H	α-helix	trans	-59.2	-45.7	174	-70.1	170.6	0	0	0	109.9	I136 V139 D140 Y285 D286 M291 F292 E293	I136-I289 HydrophobicContact CG1-CG2 4.49Å; I136-I289 HydrophobicContact CG2-CG2 4.11Å; V139-I289 HydrophobicContact CB-CD1 4.41Å; V139-I289 HydrophobicContact CB-CG1 3.92Å; V139-I289 HydrophobicContact CG1-CD1 4.05Å; V139-I289 HydrophobicContact CG1-CG1 3.67Å; D140-I289 HydrophobicContact CB-CD1 4.29Å; Y285-I289 WeakPolarHBondContact O-CG1 3.28Å; Y285-I289 PolarHBondContact O-N 3.47Å; D286-I289 PolarHBondContact O-N 2.98Å; I289-M291 VanDerWaalsContact C-N 3.26Å; I289-M291 PolarHBondContact O-N 2.86Å; I289-F292 WeakPolarHBondContact O-CA 3.43Å; I289-F292 WeakPolarHBondContact O-CB 3.35Å; I289-F292 PolarHBondContact O-N 2.77Å; I289-E293 HydrophobicContact CG2-CG 4.33Å; I289-E293 WeakPolarHBondContact O-CG 3.41Å; I289-E293 PolarHBondContact O-N 2.9Å
290	G	98.8	Very high	98.3	Very high	26 Å²	26	59.3 Å²	59.3	27%	0.268	30%	0.298	S	S	.	.	H	α-helix	trans	-58.2	-33.5	176.1	0	0	0	0	0	113.9	D286 W287 I288 E293 T294	D286-G290 PolarHBondContact O-N 3.41Å; W287-G290 PolarHBondContact O-N 3.46Å; I288-G290 VanDerWaalsContact C-N 3.32Å; I288-G290 PolarHBondContact O-N 2.8Å; G290-E293 PolarHBondContact O-N 3.14Å; G290-T294 WeakPolarHBondContact O-CB 3.44Å; G290-T294 PolarHBondContact O-N 3Å; G290-T294 PolarHBondContact O-OG1 2.96Å
291	M	98.7	Very high	98.4	Very high	32 Å²	32	56 Å²	56	16%	0.158	28%	0.283	C	S	.	.	H	α-helix	trans	-69.4	-37.9	172.9	-71.6	-61	98.4	0	0	112.5	F269 I270 W287 I288 I289 A295	F269-M291 HydrophobicContact CB-SD 4.28Å; F269-M291 HydrophobicContact CD2-SD 4.38Å; I270-M291 HydrophobicContact CD1-CB 3.8Å; I270-M291 HydrophobicContact CG1-CB 3.65Å; I270-M291 HydrophobicContact CG1-CG 4.09Å; W287-M291 HydrophobicContact CD2-CG 4.06Å; W287-M291 HydrophobicContact CE3-CG 4.07Å; W287-M291 HydrophobicContact CH2-CG 3.74Å; W287-M291 HydrophobicContact CH2-SD 4.27Å; W287-M291 HydrophobicContact CZ2-CE 4.39Å; W287-M291 HydrophobicContact CZ2-CG 3.71Å; W287-M291 HydrophobicContact CZ2-SD 3.82Å; W287-M291 HydrophobicContact CZ3-CG 3.91Å; W287-M291 WeakPolarHBondContact O-CG 3.37Å; W287-M291 PolarHBondContact O-N 3.5Å; I288-M291 WeakPolarHBondContact O-CB 3.13Å; I288-M291 PolarHBondContact O-N 3.01Å; I289-M291 VanDerWaalsContact C-N 3.26Å; I289-M291 PolarHBondContact O-N 2.86Å; M291-A295 PolarHBondContact O-N 3.41Å
292	F	98.8	Very high	98.3	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.009	29%	0.289	C	S	.	.	H	α-helix	trans	-65.1	-43	171.6	-74.4	-70.1	0	0	0	111.9	L132 I136 V139 L229 I267 I270 I288 I289 T294 A295 M296	L132-F292 HydrophobicContact CB-CD1 4.48Å; L132-F292 HydrophobicContact CD2-CD1 3.7Å; L132-F292 HydrophobicContact CD2-CE1 4.27Å; I136-F292 HydrophobicContact CD1-CB 3.97Å; I136-F292 HydrophobicContact CG1-CB 3.46Å; I136-F292 VanDerWaalsContact CG1-CB 3.46Å; I136-F292 HydrophobicContact CG1-CD2 4.49Å; I136-F292 HydrophobicContact CG1-CG 4.15Å; V139-F292 HydrophobicContact CG2-CE2 3.92Å; L229-F292 HydrophobicContact CD1-CE1 3.85Å; L229-F292 HydrophobicContact CD1-CZ 3.61Å; I267-F292 HydrophobicContact CD1-CD1 4.1Å; I267-F292 HydrophobicContact CD1-CE1 3.51Å; I267-F292 HydrophobicContact CD1-CZ 4.24Å; I270-F292 HydrophobicContact CD1-CD1 4.45Å; I270-F292 HydrophobicContact CD1-CD2 3.99Å; I270-F292 HydrophobicContact CD1-CE1 4.18Å; I270-F292 HydrophobicContact CD1-CE2 3.69Å; I270-F292 HydrophobicContact CD1-CG 4.36Å; I270-F292 HydrophobicContact CD1-CZ 3.78Å; I288-F292 HydrophobicContact CG2-CD2 4.14Å; I288-F292 HydrophobicContact CG2-CE2 3.76Å; I288-F292 VanDerWaalsContact O-CD2 3.24Å; I288-F292 WeakPolarHBondContact O-CD2 3.32Å; I288-F292 PolarHBondContact O-N 2.8Å; I289-F292 WeakPolarHBondContact O-CA 3.43Å; I289-F292 WeakPolarHBondContact O-CB 3.35Å; I289-F292 PolarHBondContact O-N 2.77Å; F292-T294 PolarHBondContact O-N 3.01Å; F292-A295 WeakPolarHBondContact O-CB 3.45Å; F292-A295 PolarHBondContact O-N 2.82Å; F292-M296 WeakPolarHBondContact O-CG 3.19Å; F292-M296 PolarHBondContact O-N 2.78Å
293	E	98.7	Very high	98.1	Very high	51 Å²	51	54.3 Å²	54.3	24%	0.238	28%	0.28	C	S	.	.	H	α-helix	trans	-61.8	-42.6	175.9	-69.4	-69.2	173.3	0	0	111.8	I136 I289 G290 A295 M296 Q297 H303	I136-E293 HydrophobicContact CD1-CG 4.2Å; I136-E293 WeakPolarHBondContact CD1-OE1 3.25Å; I289-E293 HydrophobicContact CG2-CG 4.33Å; I289-E293 WeakPolarHBondContact O-CG 3.41Å; I289-E293 PolarHBondContact O-N 2.9Å; G290-E293 PolarHBondContact O-N 3.14Å; E293-A295 VanDerWaalsContact C-N 3.33Å; E293-A295 PolarHBondContact O-N 2.81Å; E293-M296 WeakPolarHBondContact O-CB 3.32Å; E293-M296 PolarHBondContact O-N 3.42Å; E293-M296 VanDerWaalsContact O-N 3.16Å; E293-Q297 WeakPolarHBondContact O-CG 3.4Å; E293-Q297 PolarHBondContact O-N 2.77Å; E293-H303 VanDerWaalsContact CD-NE2 3.33Å; E293-H303 IonicContact OE1-CE1 2.93Å; E293-H303 PolarHBondContact OE1-CE1 2.96Å; E293-H303 IonicContact OE1-NE2 2.71Å; E293-H303 PolarHBondContact OE1-NE2 3.06Å; E293-H303 IonicContact OE2-CD2 2.95Å; E293-H303 IonicContact OE2-CE1 2.71Å; E293-H303 IonicContact OE2-NE2 3.54Å; E293-H303 PolarHBondContact OE2-NE2 2.59Å
294	T	98.7	Very high	97.8	Very high	58 Å²	58	61.9 Å²	61.9	36%	0.356	32%	0.315	S	S	.	.	H	α-helix	trans	-60.6	-43.6	175.3	-59.8	0	0	0	0	111.2	E266 G290 F292 M296 Q297 R298	E266-T294 HydrophobicContact CG-CG2 4.23Å; G290-T294 WeakPolarHBondContact O-CB 3.44Å; G290-T294 PolarHBondContact O-N 3Å; G290-T294 PolarHBondContact O-OG1 2.96Å; F292-T294 PolarHBondContact O-N 3.01Å; T294-M296 VanDerWaalsContact C-N 3.33Å; T294-M296 PolarHBondContact O-N 2.87Å; T294-Q297 PolarHBondContact O-N 2.84Å; T294-R298 WeakPolarHBondContact O-CB 3.37Å; T294-R298 PolarHBondContact O-N 2.84Å
295	A	98.6	Very high	97.6	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-62.5	-40	175.1	0	0	0	0	0	112.2	L132 P264 E266 M291 F292 E293 C299	L132-A295 HydrophobicContact CD1-CB 3.84Å; L132-A295 HydrophobicContact CD2-CB 3.84Å; P264-A295 HydrophobicContact CB-CB 3.79Å; P264-A295 HydrophobicContact CG-CB 4.31Å; E266-A295 HydrophobicContact CB-CB 4.02Å; E266-A295 HydrophobicContact CG-CB 4Å; M291-A295 PolarHBondContact O-N 3.41Å; F292-A295 WeakPolarHBondContact O-CB 3.45Å; F292-A295 PolarHBondContact O-N 2.82Å; E293-A295 VanDerWaalsContact C-N 3.33Å; E293-A295 PolarHBondContact O-N 2.81Å; A295-C299 VanDerWaalsContact O-CB 3.31Å; A295-C299 WeakPolarHBondContact O-CB 3.06Å; A295-C299 PolarHBondContact O-N 3.44Å
296	M	98.5	Very high	97.4	Very high	1 Å²	1	64.3 Å²	64.3	1%	0.005	32%	0.324	C	S	.	.	H	α-helix	trans	-62.5	-49.2	176.4	-75.7	176.9	52.7	0	0	111.4	L132 R133 I136 F292 E293 T294 R298 C299 N300 I301	L132-M296 HydrophobicContact CB-CG 3.74Å; L132-M296 HydrophobicContact CB-SD 4.26Å; L132-M296 HydrophobicContact CD1-CG 3.74Å; L132-M296 HydrophobicContact CG-CG 4.39Å; R133-M296 HydrophobicContact CG-CE 3.64Å; R133-M296 HydrophobicContact CG-SD 3.56Å; R133-M296 VanDerWaalsContact CG-SD 3.56Å; I136-M296 HydrophobicContact CD1-SD 3.45Å; I136-M296 WeakPolarHBondContact CD1-SD 3.31Å; F292-M296 WeakPolarHBondContact O-CG 3.19Å; F292-M296 PolarHBondContact O-N 2.78Å; E293-M296 WeakPolarHBondContact O-CB 3.32Å; E293-M296 PolarHBondContact O-N 3.42Å; E293-M296 VanDerWaalsContact O-N 3.16Å; T294-M296 VanDerWaalsContact C-N 3.33Å; T294-M296 PolarHBondContact O-N 2.87Å; M296-R298 PolarHBondContact O-N 2.81Å; M296-C299 CarbonylContact O-C 3.46Å; M296-C299 PolarHBondContact O-N 3.01Å; M296-N300 PolarHBondContact O-N 2.93Å; M296-I301 HydrophobicContact CB-CB 4.14Å; M296-I301 HydrophobicContact CE-CG2 4.04Å; M296-I301 HydrophobicContact CG-CB 4.25Å; M296-I301 HydrophobicContact CG-CG2 4.16Å; M296-I301 PolarHBondContact O-N 3.33Å
297	Q	98.2	Very high	97.2	Very high	139 Å²	139	58.1 Å²	58.1	65%	0.65	29%	0.291	S	S	*	.	H	α-helix	trans	-57.5	-48.3	177.2	-70.4	175.7	10.6	0	0	111.4	E293 T294 C299 N300	E293-Q297 WeakPolarHBondContact O-CG 3.4Å; E293-Q297 PolarHBondContact O-N 2.77Å; T294-Q297 PolarHBondContact O-N 2.84Å; Q297-C299 VanDerWaalsContact C-N 3.26Å; Q297-C299 PolarHBondContact O-N 2.96Å; Q297-N300 PolarHBondContact O-N 2.93Å; Q297-N300 VanDerWaalsContact O-N 3.07Å
298	R	97.7	Very high	97.1	Very high	101 Å²	101	54 Å²	54	38%	0.381	28%	0.276	S	S	.	.	H	α-helix	trans	-62.8	-33.9	179.2	-173.6	178.7	59.2	68.6	1.7	112.8	P264 Y265 E266 T294 M296 N300	P264-R298 VanDerWaalsContact CB-NH2 3.27Å; Y265-R298 VanDerWaalsContact CE1-CD 3.46Å; Y265-R298 WeakPolarHBondContact OH-CD 3.19Å; E266-R298 IonicContact OE1-CZ 3.49Å; E266-R298 IonicContact OE1-NE 2.77Å; E266-R298 PolarHBondContact OE1-NE 3.07Å; E266-R298 IonicContact OE1-NH2 3.11Å; E266-R298 IonicContact OE2-CZ 3.51Å; E266-R298 IonicContact OE2-NE 3.46Å; E266-R298 PolarHBondContact OE2-NE 3.38Å; E266-R298 IonicContact OE2-NH2 3.52Å; E266-R298 PolarHBondContact OE2-NH2 2.65Å; T294-R298 WeakPolarHBondContact O-CB 3.37Å; T294-R298 PolarHBondContact O-N 2.84Å; M296-R298 PolarHBondContact O-N 2.81Å; R298-N300 VanDerWaalsContact C-N 3.31Å
299	C	96.6	Very high	96.8	Very high	43 Å²	43	54.1 Å²	54.1	29%	0.291	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	5.9	178	-73.4	0	0	0	0	113.7	A295 M296 Q297 I301	A295-C299 VanDerWaalsContact O-CB 3.31Å; A295-C299 WeakPolarHBondContact O-CB 3.06Å; A295-C299 PolarHBondContact O-N 3.44Å; M296-C299 CarbonylContact O-C 3.46Å; M296-C299 PolarHBondContact O-N 3.01Å; Q297-C299 VanDerWaalsContact C-N 3.26Å; Q297-C299 PolarHBondContact O-N 2.96Å; C299-I301 VanDerWaalsContact C-N 3.26Å; C299-I301 HydrophobicContact CB-CD1 3.46Å; C299-I301 VanDerWaalsContact CB-CD1 3.46Å; C299-I301 HydrophobicContact CB-CG1 3.9Å; C299-I301 PolarHBondContact O-N 3.3Å
300	N	97.3	Very high	96.5	Very high	148 Å²	148	53.3 Å²	53.3	79%	0.791	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	39.5	-175.2	-60.9	-52.9	0	0	0	113.4	M296 Q297 R298	M296-N300 PolarHBondContact O-N 2.93Å; Q297-N300 PolarHBondContact O-N 2.93Å; Q297-N300 VanDerWaalsContact O-N 3.07Å; R298-N300 VanDerWaalsContact C-N 3.31Å
301	I	97.7	Very high	96	Very high	22 Å²	22	56.4 Å²	56.4	11%	0.113	28%	0.28	C	S	.	.			trans	-94.1	126.4	-179.9	-65.7	160	0	0	0	109.1	N128 S129 L132 M296 C299 E305	N128-I301 HydrophobicContact CB-CD1 4.24Å; S129-I301 WeakPolarHBondContact OG-CG2 3.43Å; L132-I301 HydrophobicContact CD1-CD1 3.69Å; M296-I301 HydrophobicContact CB-CB 4.14Å; M296-I301 HydrophobicContact CE-CG2 4.04Å; M296-I301 HydrophobicContact CG-CB 4.25Å; M296-I301 HydrophobicContact CG-CG2 4.16Å; M296-I301 PolarHBondContact O-N 3.33Å; C299-I301 VanDerWaalsContact C-N 3.26Å; C299-I301 HydrophobicContact CB-CD1 3.46Å; C299-I301 VanDerWaalsContact CB-CD1 3.46Å; C299-I301 HydrophobicContact CB-CG1 3.9Å; C299-I301 PolarHBondContact O-N 3.3Å; I301-E305 WeakPolarHBondContact CA-OE1 3.45Å
302	S	96.6	Very high	95.3	Very high	59 Å²	59	56.4 Å²	56.4	41%	0.413	28%	0.28	S	S	.	.			trans	-91.6	148.2	173.5	177.6	0	0	0	0	112.2	E304 E305	S302-E304 PolarHBondContact O-N 2.99Å; S302-E304 PolarHBondContact OG-N 2.92Å; S302-E305 PolarHBondContact N-OE1 2.94Å; S302-E305 PolarHBondContact O-N 2.92Å
303	H	94.3	Very high	94	Very high	93 Å²	93	60 Å²	60	43%	0.431	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-28.3	169.6	-81.5	-73.1	0	0	0	112.6	R133 E293 E305	R133-H303 PolarHBondContact NH1-O 3.09Å; E293-H303 VanDerWaalsContact CD-NE2 3.33Å; E293-H303 IonicContact OE1-CE1 2.93Å; E293-H303 PolarHBondContact OE1-CE1 2.96Å; E293-H303 IonicContact OE1-NE2 2.71Å; E293-H303 PolarHBondContact OE1-NE2 3.06Å; E293-H303 IonicContact OE2-CD2 2.95Å; E293-H303 IonicContact OE2-CE1 2.71Å; E293-H303 IonicContact OE2-NE2 3.54Å; E293-H303 PolarHBondContact OE2-NE2 2.59Å; H303-E305 VanDerWaalsContact C-N 3.31Å; H303-E305 PolarHBondContact O-N 3.03Å
304	E	92.9	Very high	92.2	Very high	163 Å²	163	60.9 Å²	60.9	76%	0.762	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-3.8	-177.6	-58.1	-56.3	150.9	0	0	114	S302	S302-E304 PolarHBondContact O-N 2.99Å; S302-E304 PolarHBondContact OG-N 2.92Å
305	E	93.8	Very high	90.2	Very high	65 Å²	65	62.4 Å²	62.4	30%	0.304	32%	0.317	S	S	.	.	S	Bend	trans	-62.7	152.4	177.6	-77.9	176.7	-147.5	0	0	111.8	S129 R133 I301 S302 H303 F307	S129-E305 WeakPolarHBondContact CB-OE2 3.2Å; S129-E305 PolarHBondContact OG-OE2 3.22Å; R133-E305 PolarHBondContact NH1-O 3.15Å; R133-E305 PolarHBondContact NH2-O 2.85Å; R133-E305 VanDerWaalsContact NH2-O 3.11Å; I301-E305 WeakPolarHBondContact CA-OE1 3.45Å; S302-E305 PolarHBondContact N-OE1 2.94Å; S302-E305 PolarHBondContact O-N 2.92Å; H303-E305 VanDerWaalsContact C-N 3.31Å; H303-E305 PolarHBondContact O-N 3.03Å; E305-F307 PolarHBondContact O-N 3.01Å
306	Q	93.6	Very high	88.1	Confident	88 Å²	88	71 Å²	71	41%	0.411	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-75.8	132.3	172.6	-69.6	-173.7	-2.3	0	0	110.6	Q310 Q311	Q306-Q310 HydrophobicContact CB-CB 4.07Å; Q306-Q310 HydrophobicContact CG-CB 4.41Å; Q306-Q311 HydrophobicContact CB-CG 3.84Å; Q306-Q311 PolarHBondContact O-NE2 3.3Å
307	F	95.9	Very high	85.5	Confident	2 Å²	2	82.8 Å²	82.8	1%	0.009	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-60.9	156	164.6	-74.2	-75.7	0	0	0	111.2	T130 R133 I134 Q170 E305 W309 Q310 Q311	T130-F307 HydrophobicContact CG2-CD1 3.69Å; T130-F307 HydrophobicContact CG2-CE1 4.34Å; R133-F307 HydrophobicContact CB-CE1 3.72Å; R133-F307 HydrophobicContact CB-CZ 3.7Å; I134-F307 HydrophobicContact CG1-CE1 4.14Å; Q170-F307 HydrophobicContact CB-CD2 4.32Å; Q170-F307 HydrophobicContact CB-CE2 3.99Å; Q170-F307 WeakPolarHBondContact O-CE2 3.35Å; E305-F307 PolarHBondContact O-N 3.01Å; F307-W309 HydrophobicContact CB-CD2 3.65Å; F307-W309 HydrophobicContact CB-CE3 3.85Å; F307-W309 HydrophobicContact CB-CG 4.38Å; F307-W309 HydrophobicContact CB-CH2 3.66Å; F307-W309 HydrophobicContact CB-CZ2 3.4Å; F307-W309 VanDerWaalsContact CB-CZ2 3.4Å; F307-W309 HydrophobicContact CB-CZ3 3.87Å; F307-W309 AromaticContact CD1-CH2 3.26Å; F307-W309 HydrophobicContact CD1-CH2 3.26Å; F307-W309 AromaticContact CD1-CZ2 3.66Å; F307-W309 HydrophobicContact CD1-CZ2 3.66Å; F307-W309 AromaticContact CD1-CZ3 3.81Å; F307-W309 HydrophobicContact CD1-CZ3 3.81Å; F307-W309 HydrophobicContact CD2-CH2 4.01Å; F307-W309 AromaticContact CD2-CZ2 3.5Å; F307-W309 HydrophobicContact CD2-CZ2 3.5Å; F307-W309 AromaticContact CE1-CH2 3.8Å; F307-W309 HydrophobicContact CE1-CH2 3.8Å; F307-W309 HydrophobicContact CE1-CZ2 4.26Å; F307-W309 HydrophobicContact CE2-CH2 4.5Å; F307-W309 HydrophobicContact CE2-CZ2 4.16Å; F307-W309 HydrophobicContact CG-CD2 4.41Å; F307-W309 AromaticContact CG-CE2 3.78Å; F307-W309 HydrophobicContact CG-CE3 4.47Å; F307-W309 AromaticContact CG-CH2 3.38Å; F307-W309 HydrophobicContact CG-CH2 3.38Å; F307-W309 AromaticContact CG-CZ2 3.23Å; F307-W309 HydrophobicContact CG-CZ2 3.23Å; F307-W309 HydrophobicContact CG-CZ3 4.01Å; F307-W309 HydrophobicContact CZ-CH2 4.4Å; F307-W309 HydrophobicContact CZ-CZ2 4.5Å; F307-W309 PolarHBondContact O-N 2.94Å; F307-W309 VanDerWaalsContact O-N 3.1Å; F307-Q310 WeakPolarHBondContact O-CB 3.24Å; F307-Q310 PolarHBondContact O-N 2.9Å; F307-Q311 PolarHBondContact O-N 3.46Å
308	D	95.8	Very high	84.9	Confident	8 Å²	8	80 Å²	80	4%	0.043	39%	0.388	C	S	.	.	H	α-helix	trans	-57.9	-33.1	-175	-59.5	-35.3	0	0	0	113	L121 F126 T127 T130 Q311 L312	L121-D308 HydrophobicContact CD1-CB 3.93Å; L121-D308 HydrophobicContact CD2-CB 3.74Å; F126-D308 WeakPolarHBondContact CA-OD2 3.28Å; F126-D308 WeakPolarHBondContact CB-OD2 3.36Å; F126-D308 HydrophobicContact CD1-CB 4.13Å; F126-D308 WeakPolarHBondContact CD1-OD2 3.43Å; T127-D308 WeakPolarHBondContact CB-OD1 2.85Å; T127-D308 WeakPolarHBondContact CG2-OD1 3.37Å; T127-D308 PolarHBondContact N-OD2 3.24Å; T127-D308 PolarHBondContact OG1-OD1 3.4Å; T127-D308 PolarHBondContact OG1-OD2 2.92Å; T130-D308 VanDerWaalsContact CB-OD2 3.3Å; T130-D308 WeakPolarHBondContact CB-OD2 3.37Å; T130-D308 PolarHBondContact OG1-N 2.95Å; T130-D308 PolarHBondContact OG1-OD1 3.02Å; T130-D308 PolarHBondContact OG1-OD2 2.8Å; T130-D308 VanDerWaalsContact OG1-OD2 3.04Å; D308-Q311 PolarHBondContact O-N 2.99Å; D308-L312 WeakPolarHBondContact O-CG 3.47Å; D308-L312 PolarHBondContact O-N 2.53Å
309	W	93.3	Very high	84.2	Confident	5 Å²	5	78.8 Å²	78.8	2%	0.019	39%	0.389	C	S	.	.	H	α-helix	trans	-74.3	-23.5	177.2	56.7	85.8	0	0	0	114.2	L114 V117 F126 T130 I134 I162 A169 V172 F307 R313	L114-W309 HydrophobicContact CD2-CE3 4.35Å; L114-W309 HydrophobicContact CD2-CH2 4.13Å; L114-W309 HydrophobicContact CD2-CZ3 3.83Å; V117-W309 HydrophobicContact CG1-CB 3.69Å; V117-W309 HydrophobicContact CG1-CD2 4.49Å; V117-W309 HydrophobicContact CG1-CE3 4.01Å; V117-W309 HydrophobicContact CG1-CG 4.43Å; V117-W309 HydrophobicContact CG2-CB 4.39Å; F126-W309 HydrophobicContact CD1-CE3 4.49Å; F126-W309 HydrophobicContact CD1-CZ3 4.44Å; F126-W309 AromaticContact CE1-CE3 3.79Å; F126-W309 HydrophobicContact CE1-CE3 3.79Å; F126-W309 AromaticContact CE1-CZ3 3.9Å; F126-W309 HydrophobicContact CE1-CZ3 3.9Å; F126-W309 HydrophobicContact CZ-CZ3 4.42Å; T130-W309 HydrophobicContact CG2-CE3 4.35Å; T130-W309 HydrophobicContact CG2-CH2 4.24Å; T130-W309 HydrophobicContact CG2-CZ3 3.58Å; I134-W309 HydrophobicContact CD1-CH2 4.19Å; I134-W309 HydrophobicContact CD1-CZ3 4.03Å; I134-W309 HydrophobicContact CG1-CH2 4.17Å; I162-W309 HydrophobicContact CD1-CB 4.24Å; I162-W309 HydrophobicContact CD1-CD2 4.4Å; I162-W309 HydrophobicContact CD1-CG 3.85Å; I162-W309 HydrophobicContact CG2-CD2 4.07Å; I162-W309 HydrophobicContact CG2-CH2 4.16Å; I162-W309 HydrophobicContact CG2-CZ2 3.68Å; A169-W309 WeakPolarHBondContact O-CZ2 3.24Å; A169-W309 PolarHBondContact O-NE1 3.17Å; V172-W309 HydrophobicContact CG2-CH2 3.98Å; V172-W309 HydrophobicContact CG2-CZ2 4.24Å; F307-W309 HydrophobicContact CB-CD2 3.65Å; F307-W309 HydrophobicContact CB-CE3 3.85Å; F307-W309 HydrophobicContact CB-CG 4.38Å; F307-W309 HydrophobicContact CB-CH2 3.66Å; F307-W309 HydrophobicContact CB-CZ2 3.4Å; F307-W309 VanDerWaalsContact CB-CZ2 3.4Å; F307-W309 HydrophobicContact CB-CZ3 3.87Å; F307-W309 AromaticContact CD1-CH2 3.26Å; F307-W309 HydrophobicContact CD1-CH2 3.26Å; F307-W309 AromaticContact CD1-CZ2 3.66Å; F307-W309 HydrophobicContact CD1-CZ2 3.66Å; F307-W309 AromaticContact CD1-CZ3 3.81Å; F307-W309 HydrophobicContact CD1-CZ3 3.81Å; F307-W309 HydrophobicContact CD2-CH2 4.01Å; F307-W309 AromaticContact CD2-CZ2 3.5Å; F307-W309 HydrophobicContact CD2-CZ2 3.5Å; F307-W309 AromaticContact CE1-CH2 3.8Å; F307-W309 HydrophobicContact CE1-CH2 3.8Å; F307-W309 HydrophobicContact CE1-CZ2 4.26Å; F307-W309 HydrophobicContact CE2-CH2 4.5Å; F307-W309 HydrophobicContact CE2-CZ2 4.16Å; F307-W309 HydrophobicContact CG-CD2 4.41Å; F307-W309 AromaticContact CG-CE2 3.78Å; F307-W309 HydrophobicContact CG-CE3 4.47Å; F307-W309 AromaticContact CG-CH2 3.38Å; F307-W309 HydrophobicContact CG-CH2 3.38Å; F307-W309 AromaticContact CG-CZ2 3.23Å; F307-W309 HydrophobicContact CG-CZ2 3.23Å; F307-W309 HydrophobicContact CG-CZ3 4.01Å; F307-W309 HydrophobicContact CZ-CH2 4.4Å; F307-W309 HydrophobicContact CZ-CZ2 4.5Å; F307-W309 PolarHBondContact O-N 2.94Å; F307-W309 VanDerWaalsContact O-N 3.1Å; W309-R313 WeakPolarHBondContact O-CG 3.1Å; W309-R313 PolarHBondContact O-N 3.19Å
310	Q	92	Very high	83.5	Confident	14 Å²	14	80.8 Å²	80.8	7%	0.065	39%	0.394	C	S	.	.	H	α-helix	trans	-72.5	-42	172	-66.5	171.4	-67.2	0	0	109.5	M166 A169 Q170 Q306 F307 L312 R313 C314	M166-Q310 HydrophobicContact CE-CB 4.11Å; M166-Q310 HydrophobicContact CE-CG 3.98Å; A169-Q310 HydrophobicContact CB-CG 3.76Å; Q170-Q310 VanDerWaalsContact CD-OE1 3.26Å; Q306-Q310 HydrophobicContact CB-CB 4.07Å; Q306-Q310 HydrophobicContact CG-CB 4.41Å; F307-Q310 WeakPolarHBondContact O-CB 3.24Å; F307-Q310 PolarHBondContact O-N 2.9Å; Q310-L312 PolarHBondContact O-N 2.98Å; Q310-R313 PolarHBondContact O-N 3.07Å; Q310-R313 VanDerWaalsContact O-N 3.14Å; Q310-C314 PolarHBondContact O-N 3.29Å; Q310-C314 VanDerWaalsContact O-N 3.1Å
311	Q	88.3	Confident	82.7	Confident	91 Å²	91	76.9 Å²	76.9	43%	0.425	37%	0.371	S	S	.	.	H	α-helix	trans	-61.8	-42.1	176.3	-59.1	179.1	23.2	0	0	111.8	Q306 F307 D308 R313 C314 S315	Q306-Q311 HydrophobicContact CB-CG 3.84Å; Q306-Q311 PolarHBondContact O-NE2 3.3Å; F307-Q311 PolarHBondContact O-N 3.46Å; D308-Q311 PolarHBondContact O-N 2.99Å; Q311-R313 PolarHBondContact O-N 3.16Å; Q311-C314 PolarHBondContact O-N 3.34Å; Q311-S315 PolarHBondContact O-N 2.78Å
312	L	83.1	Confident	81.8	Confident	32 Å²	32	80.3 Å²	80.3	17%	0.168	39%	0.387	C	S	.	.	H	α-helix	trans	-58	-32.3	174.9	-78.2	-179.8	0	0	0	113.8	E120 L121 D308 Q310 S315 R316	E120-L312 HydrophobicContact CB-CD1 3.92Å; L121-L312 HydrophobicContact CD2-CD1 3.45Å; L121-L312 VanDerWaalsContact CD2-CD1 3.45Å; L121-L312 HydrophobicContact CD2-CD2 4.09Å; L121-L312 HydrophobicContact CD2-CG 3.71Å; L121-L312 HydrophobicContact CG-CD1 3.98Å; D308-L312 WeakPolarHBondContact O-CG 3.47Å; D308-L312 PolarHBondContact O-N 2.53Å; Q310-L312 PolarHBondContact O-N 2.98Å; L312-S315 PolarHBondContact O-OG 3.18Å; L312-S315 VanDerWaalsContact O-OG 3.13Å; L312-R316 WeakPolarHBondContact O-CG 3.4Å
313	R	72.4	Confident	80.8	Confident	78 Å²	78	81.7 Å²	81.7	29%	0.294	39%	0.385	S	S	.	.	H	α-helix	trans	-83.1	-32.7	-179.9	-71.4	178.5	-178.3	-164.6	8.9	111.6	V164 M166 W309 Q310 Q311 R316	V164-R313 PolarHBondContact O-NH1 3.32Å; M166-R313 HydrophobicContact SD-CB 4.42Å; M166-R313 WeakPolarHBondContact SD-CD 3.31Å; M166-R313 HydrophobicContact SD-CG 4.47Å; M166-R313 PolarHBondContact SD-NH1 3.5Å; W309-R313 WeakPolarHBondContact O-CG 3.1Å; W309-R313 PolarHBondContact O-N 3.19Å; Q310-R313 PolarHBondContact O-N 3.07Å; Q310-R313 VanDerWaalsContact O-N 3.14Å; Q311-R313 PolarHBondContact O-N 3.16Å; R313-R316 PolarHBondContact O-N 3.35Å
314	C	60.8	Low	79.8	Confident	68 Å²	68	80.9 Å²	80.9	46%	0.459	38%	0.382	S	S	.	.	H	α-helix	trans	-67.6	-35.6	173.4	-71.8	0	0	0	0	112.4	Q310 Q311 R316 K317	Q310-C314 PolarHBondContact O-N 3.29Å; Q310-C314 VanDerWaalsContact O-N 3.1Å; Q311-C314 PolarHBondContact O-N 3.34Å; C314-R316 PolarHBondContact O-N 3.23Å; C314-K317 PolarHBondContact O-N 3.26Å
315	S	57.3	Low	78.8	Confident	90 Å²	90	74.6 Å²	74.6	63%	0.629	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-4.9	179.2	68	0	0	0	0	115	Q311 L312	Q311-S315 PolarHBondContact O-N 2.78Å; L312-S315 PolarHBondContact O-OG 3.18Å; L312-S315 VanDerWaalsContact O-OG 3.13Å
316	R	54.1	Low	77.6	Confident	180 Å²	180	75.4 Å²	75.4	68%	0.679	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	0.7	177.9	-71.3	-176.3	-173.4	-177.9	6	113.5	E120 L312 R313 C314	E120-R316 IonicContact OE2-NH2 3.01Å; L312-R316 WeakPolarHBondContact O-CG 3.4Å; R313-R316 PolarHBondContact O-N 3.35Å; C314-R316 PolarHBondContact O-N 3.23Å
317	K	44.6	Very low	76.1	Confident	249 Å²	249	74.3 Å²	74.3	100%	1.083	35%	0.352	S	S	*	.			trans	-93.8	0	169.9	-72.1	-172.7	176.3	-176.9	0	109.8	C314	C314-K317 PolarHBondContact O-N 3.26Å

Retrieved 317 of 317 residues in 314.1 ms (Link to these results)

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